smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c(CNC(=O)NCc2cn(-c3ccccc3)nc2C(C)C)c[nH+]1 ZINC000458542830 823053480 /nfs/dbraw/zinc/05/34/80/823053480.db2.gz MYMIDBWUTLZUNG-UHFFFAOYSA-N 1 2 377.492 4.007 20 0 GIADLO C[C@H](CC(=O)N1CCCc2c(Br)ccc(Cl)c21)n1cc[nH+]c1 ZINC000570573671 823056104 /nfs/dbraw/zinc/05/61/04/823056104.db2.gz QYTKUKHVVOIKIM-LLVKDONJSA-N 1 2 382.689 4.230 20 0 GIADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000570620477 823063146 /nfs/dbraw/zinc/06/31/46/823063146.db2.gz VWCXEZZTXWOJFT-SHTZXODSSA-N 1 2 395.894 4.278 20 0 GIADLO COc1ccc(NC(=O)[C@H]([NH2+]Cc2cc(F)ccc2OC)c2ccccc2)cc1 ZINC000187452191 823066134 /nfs/dbraw/zinc/06/61/34/823066134.db2.gz YRSGTQXUTHZXFK-JOCHJYFZSA-N 1 2 394.446 4.313 20 0 GIADLO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000570712827 823074831 /nfs/dbraw/zinc/07/48/31/823074831.db2.gz VHVCNPIZHURTTH-AWEZNQCLSA-N 1 2 383.389 4.001 20 0 GIADLO Cc1cc(Br)cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000187500356 823075908 /nfs/dbraw/zinc/07/59/08/823075908.db2.gz OWKFCFZJXDONFL-XJKSGUPXSA-N 1 2 377.286 4.069 20 0 GIADLO CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120849182 823076213 /nfs/dbraw/zinc/07/62/13/823076213.db2.gz JLKXTTSEOFWVFX-MOPGFXCFSA-N 1 2 398.551 4.070 20 0 GIADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120859255 823078520 /nfs/dbraw/zinc/07/85/20/823078520.db2.gz OMXFYZXDYRQZPL-HRCADAONSA-N 1 2 377.271 4.172 20 0 GIADLO COc1ccc([C@H](C)[NH2+][C@H](CN2CCCC2)c2ccccc2)cc1NC(C)=O ZINC000120861562 823078700 /nfs/dbraw/zinc/07/87/00/823078700.db2.gz QAAQARNOGBEMCX-HTAPYJJXSA-N 1 2 381.520 4.141 20 0 GIADLO O=C(CCCCCc1ccc(F)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000187531879 823083158 /nfs/dbraw/zinc/08/31/58/823083158.db2.gz CZRVHQDXCWWLDH-UHFFFAOYSA-N 1 2 379.479 4.490 20 0 GIADLO O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120896136 823083274 /nfs/dbraw/zinc/08/32/74/823083274.db2.gz OQNLXIFXCOZWRL-GOSISDBHSA-N 1 2 397.862 4.003 20 0 GIADLO Cc1sc(CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)nc1C(C)C ZINC000570769846 823084745 /nfs/dbraw/zinc/08/47/45/823084745.db2.gz MNNDPJQRJALTIC-IBGZPJMESA-N 1 2 396.560 4.488 20 0 GIADLO CC(C)c1nc2n(n1)CCC[C@H]2Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000570789421 823087779 /nfs/dbraw/zinc/08/77/79/823087779.db2.gz LLJRXNZFFGWDTQ-OAHLLOKOSA-N 1 2 375.398 4.337 20 0 GIADLO C[C@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1C(F)(F)F ZINC000120927199 823087944 /nfs/dbraw/zinc/08/79/44/823087944.db2.gz INLLBTCBQAMAFY-HZPDHXFCSA-N 1 2 393.453 4.414 20 0 GIADLO CCSc1ccc(Cl)cc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120935411 823089414 /nfs/dbraw/zinc/08/94/14/823089414.db2.gz PTKJYFBMHIWZLK-CQSZACIVSA-N 1 2 377.941 4.280 20 0 GIADLO COc1cc(C2(C(=O)N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)CCC2)ccc1C ZINC000570810220 823090356 /nfs/dbraw/zinc/09/03/56/823090356.db2.gz HHYXDRIHESVZID-MXVIHJGJSA-N 1 2 393.531 4.360 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N(CCC(F)(F)F)CC1CC1 ZINC000175996499 823091363 /nfs/dbraw/zinc/09/13/63/823091363.db2.gz LUHJANHZMPIXFA-UHFFFAOYSA-N 1 2 396.413 4.158 20 0 GIADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176005305 823093672 /nfs/dbraw/zinc/09/36/72/823093672.db2.gz GCDKRNFVMUGDOQ-KRWDZBQOSA-N 1 2 398.526 4.263 20 0 GIADLO CCC[C@@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1F ZINC000120963922 823094140 /nfs/dbraw/zinc/09/41/40/823094140.db2.gz NOMOMXMYFDGUKD-HNAYVOBHSA-N 1 2 390.478 4.204 20 0 GIADLO C[C@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)[C@H]1c1ccccc1 ZINC000176006566 823094125 /nfs/dbraw/zinc/09/41/25/823094125.db2.gz KARKMDHASWNEOH-FDDCHVKYSA-N 1 2 392.547 4.124 20 0 GIADLO C[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)n1cc[nH+]c1 ZINC000570850343 823095204 /nfs/dbraw/zinc/09/52/04/823095204.db2.gz WXETUMCDLSUOQE-BLLLJJGKSA-N 1 2 380.261 4.100 20 0 GIADLO CCSCc1cc[nH+]c(NCc2cccc(Cl)c2S(=O)(=O)CC)c1 ZINC000187604729 823096710 /nfs/dbraw/zinc/09/67/10/823096710.db2.gz ASMQULMXAKDHFF-UHFFFAOYSA-N 1 2 384.954 4.394 20 0 GIADLO O=C(N[C@@H]1CCC[C@@H]1F)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000458867398 823099400 /nfs/dbraw/zinc/09/94/00/823099400.db2.gz QPJYUUZKDSIQKJ-ZWKOTPCHSA-N 1 2 396.869 4.168 20 0 GIADLO C[C@@H](c1cccc(NC(=O)c2ccc3c(c2)CCCCC3=O)c1)[NH+]1CCOCC1 ZINC000570892315 823103403 /nfs/dbraw/zinc/10/34/03/823103403.db2.gz MPNMYXLAARGQHO-KRWDZBQOSA-N 1 2 392.499 4.241 20 0 GIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCCCC2(F)F)c(C)c1 ZINC000570901736 823105395 /nfs/dbraw/zinc/10/53/95/823105395.db2.gz SWCXHTWLPVHURB-PKOBYXMFSA-N 1 2 390.478 4.366 20 0 GIADLO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000459011075 823116461 /nfs/dbraw/zinc/11/64/61/823116461.db2.gz MYOIJRSYHYSZLZ-PBHICJAKSA-N 1 2 376.863 4.243 20 0 GIADLO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c(OC)c1 ZINC000121090891 823116688 /nfs/dbraw/zinc/11/66/88/823116688.db2.gz BLANXJMZIHDBFH-AWEZNQCLSA-N 1 2 391.537 4.224 20 0 GIADLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c(OC)c1 ZINC000121090891 823116692 /nfs/dbraw/zinc/11/66/92/823116692.db2.gz BLANXJMZIHDBFH-AWEZNQCLSA-N 1 2 391.537 4.224 20 0 GIADLO CN(c1ccccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCC1 ZINC000121102086 823118791 /nfs/dbraw/zinc/11/87/91/823118791.db2.gz MFXWUUBYMURRIL-UHFFFAOYSA-N 1 2 393.535 4.382 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(Cl)cc2cccnc21 ZINC000056295857 823122926 /nfs/dbraw/zinc/12/29/26/823122926.db2.gz SKEWBFSPZYBDTK-UHFFFAOYSA-N 1 2 376.847 4.063 20 0 GIADLO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121129953 823123370 /nfs/dbraw/zinc/12/33/70/823123370.db2.gz SJKTWPKSBLBBHN-USXIJHARSA-N 1 2 377.271 4.172 20 0 GIADLO Cc1cnc(CCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c(C)c1 ZINC000571082196 823129081 /nfs/dbraw/zinc/12/90/81/823129081.db2.gz YBITYGIXKRLTDO-UHFFFAOYSA-N 1 2 393.560 4.210 20 0 GIADLO C[N@H+](CCC1CCOCC1)Cn1nc(-c2ccco2)n(-c2ccccc2)c1=S ZINC000121157035 823129451 /nfs/dbraw/zinc/12/94/51/823129451.db2.gz ORDYODJYIKBMBR-UHFFFAOYSA-N 1 2 398.532 4.369 20 0 GIADLO C[N@@H+](CCC1CCOCC1)Cn1nc(-c2ccco2)n(-c2ccccc2)c1=S ZINC000121157035 823129454 /nfs/dbraw/zinc/12/94/54/823129454.db2.gz ORDYODJYIKBMBR-UHFFFAOYSA-N 1 2 398.532 4.369 20 0 GIADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000571103292 823132621 /nfs/dbraw/zinc/13/26/21/823132621.db2.gz OWHWFRFRPPQAGM-OALUTQOASA-N 1 2 394.519 4.167 20 0 GIADLO COCc1ccc(CNC(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121182952 823133795 /nfs/dbraw/zinc/13/37/95/823133795.db2.gz GPYJGHSNUFYHPW-INIZCTEOSA-N 1 2 389.565 4.031 20 0 GIADLO COCc1ccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121182952 823133797 /nfs/dbraw/zinc/13/37/97/823133797.db2.gz GPYJGHSNUFYHPW-INIZCTEOSA-N 1 2 389.565 4.031 20 0 GIADLO COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000459174575 823138084 /nfs/dbraw/zinc/13/80/84/823138084.db2.gz KPEVRWQOUHBHKB-KRWDZBQOSA-N 1 2 392.503 4.041 20 0 GIADLO Cc1coc(-c2ccc(C)c(NC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2)n1 ZINC000121209875 823139143 /nfs/dbraw/zinc/13/91/43/823139143.db2.gz YPBXUBHBTRMHST-HNAYVOBHSA-N 1 2 379.464 4.270 20 0 GIADLO Cn1c[nH+]cc1CCNC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC000121239928 823145539 /nfs/dbraw/zinc/14/55/39/823145539.db2.gz XCONVEGTWSPWSL-UHFFFAOYSA-N 1 2 396.560 4.272 20 0 GIADLO Fc1ccc([C@H]2C[N@H+](CCc3nc(-c4ccccc4)no3)CCO2)c(Cl)c1 ZINC000187854653 823146967 /nfs/dbraw/zinc/14/69/67/823146967.db2.gz PRALVMBJXCMUED-GOSISDBHSA-N 1 2 387.842 4.145 20 0 GIADLO Fc1ccc([C@H]2C[N@@H+](CCc3nc(-c4ccccc4)no3)CCO2)c(Cl)c1 ZINC000187854653 823146968 /nfs/dbraw/zinc/14/69/68/823146968.db2.gz PRALVMBJXCMUED-GOSISDBHSA-N 1 2 387.842 4.145 20 0 GIADLO O=C(Nc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1)c1ccco1 ZINC000187860369 823147990 /nfs/dbraw/zinc/14/79/90/823147990.db2.gz ICJCEQCNENFTJD-HXUWFJFHSA-N 1 2 390.418 4.273 20 0 GIADLO O=C(c1cnccc1C(F)(F)F)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000571223383 823151316 /nfs/dbraw/zinc/15/13/16/823151316.db2.gz VLECZRXWZUYANR-UHFFFAOYSA-N 1 2 397.828 4.102 20 0 GIADLO O=C(c1cnccc1C(F)(F)F)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000571223383 823151319 /nfs/dbraw/zinc/15/13/19/823151319.db2.gz VLECZRXWZUYANR-UHFFFAOYSA-N 1 2 397.828 4.102 20 0 GIADLO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000187888013 823152977 /nfs/dbraw/zinc/15/29/77/823152977.db2.gz YHIUNTMHROTFSP-IBGZPJMESA-N 1 2 396.934 4.137 20 0 GIADLO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000187888013 823152978 /nfs/dbraw/zinc/15/29/78/823152978.db2.gz YHIUNTMHROTFSP-IBGZPJMESA-N 1 2 396.934 4.137 20 0 GIADLO COC(=O)c1ccc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)c(Br)c1 ZINC000571270466 823158548 /nfs/dbraw/zinc/15/85/48/823158548.db2.gz LGOYIMUTTDJNGK-OAHLLOKOSA-N 1 2 395.322 4.242 20 0 GIADLO Cc1c2ccccc2[nH+]c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C(=O)[O-] ZINC000571287621 823160203 /nfs/dbraw/zinc/16/02/03/823160203.db2.gz IGKBVMNEUXVYNM-VQIMIIECSA-N 1 2 389.499 4.128 20 0 GIADLO Cc1c2ccccc2[nH+]c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C(=O)[O-] ZINC000571287621 823160206 /nfs/dbraw/zinc/16/02/06/823160206.db2.gz IGKBVMNEUXVYNM-VQIMIIECSA-N 1 2 389.499 4.128 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459328917 823162168 /nfs/dbraw/zinc/16/21/68/823162168.db2.gz PMFDKCBIAMCTFG-UHFFFAOYSA-N 1 2 389.503 4.131 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459328917 823162171 /nfs/dbraw/zinc/16/21/71/823162171.db2.gz PMFDKCBIAMCTFG-UHFFFAOYSA-N 1 2 389.503 4.131 20 0 GIADLO c1coc([C@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CCO2)c1 ZINC000459343295 823166022 /nfs/dbraw/zinc/16/60/22/823166022.db2.gz QBMZQVOCQLCBIC-OAQYLSRUSA-N 1 2 378.476 4.227 20 0 GIADLO c1coc([C@H]2C[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CCO2)c1 ZINC000459343295 823166028 /nfs/dbraw/zinc/16/60/28/823166028.db2.gz QBMZQVOCQLCBIC-OAQYLSRUSA-N 1 2 378.476 4.227 20 0 GIADLO Cc1nc2ccc(NC(=O)N[C@H]3c4ccccc4CC[C@@H]3n3cc[nH+]c3)cc2o1 ZINC000121328144 823164138 /nfs/dbraw/zinc/16/41/38/823164138.db2.gz MLGULHGCZRUSHH-FPOVZHCZSA-N 1 2 387.443 4.383 20 0 GIADLO CCOc1cc(CNc2ccccc2OCCn2cc[nH+]c2)cc(Cl)c1O ZINC000459350316 823168334 /nfs/dbraw/zinc/16/83/34/823168334.db2.gz OPJORTNMGBUOLJ-UHFFFAOYSA-N 1 2 387.867 4.332 20 0 GIADLO CCOC(=O)c1noc(C[N@H+](Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)n1 ZINC000459355125 823169862 /nfs/dbraw/zinc/16/98/62/823169862.db2.gz PQHXJBFQXLTTKJ-FQEVSTJZSA-N 1 2 391.471 4.244 20 0 GIADLO CCOC(=O)c1noc(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CCc3ccccc32)n1 ZINC000459355125 823169865 /nfs/dbraw/zinc/16/98/65/823169865.db2.gz PQHXJBFQXLTTKJ-FQEVSTJZSA-N 1 2 391.471 4.244 20 0 GIADLO COc1ccc(-c2ocnc2-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000571361837 823171116 /nfs/dbraw/zinc/17/11/16/823171116.db2.gz CWIJIEXQYSCUFG-UHFFFAOYSA-N 1 2 385.383 4.253 20 0 GIADLO CC(C)[N@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459377786 823177189 /nfs/dbraw/zinc/17/71/89/823177189.db2.gz VHELXOMQYGLGFY-UHFFFAOYSA-N 1 2 399.882 4.174 20 0 GIADLO CC(C)[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459377786 823177192 /nfs/dbraw/zinc/17/71/92/823177192.db2.gz VHELXOMQYGLGFY-UHFFFAOYSA-N 1 2 399.882 4.174 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(c3cccc(F)c3F)CC1)C2 ZINC000571374868 823174227 /nfs/dbraw/zinc/17/42/27/823174227.db2.gz XUACSROBGKIEOL-OAHLLOKOSA-N 1 2 387.474 4.322 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(c3cccc(F)c3F)CC1)CC2 ZINC000571374868 823174231 /nfs/dbraw/zinc/17/42/31/823174231.db2.gz XUACSROBGKIEOL-OAHLLOKOSA-N 1 2 387.474 4.322 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccccc1OCCc1ccccc1 ZINC000056590951 823176019 /nfs/dbraw/zinc/17/60/19/823176019.db2.gz WHGUQYMSMCSYOB-UHFFFAOYSA-N 1 2 378.476 4.107 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)c1cccc2ccccc21 ZINC000571414241 823179697 /nfs/dbraw/zinc/17/96/97/823179697.db2.gz JOGHREQKEFTJAO-UHFFFAOYSA-N 1 2 376.460 4.048 20 0 GIADLO COCc1cc(C[NH2+][C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)no1 ZINC000459394578 823181959 /nfs/dbraw/zinc/18/19/59/823181959.db2.gz XLLKHJXMDXABMX-NRFANRHFSA-N 1 2 396.487 4.220 20 0 GIADLO CN(C)c1cc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)c2ccccc2n1 ZINC000188096816 823185732 /nfs/dbraw/zinc/18/57/32/823185732.db2.gz FHDQRAWXLDSCAA-OAQYLSRUSA-N 1 2 375.451 4.042 20 0 GIADLO C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@H](C)c1ccccc1 ZINC000176350564 823189422 /nfs/dbraw/zinc/18/94/22/823189422.db2.gz UOSINGXKNJIXMC-ZWKOTPCHSA-N 1 2 378.476 4.276 20 0 GIADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@@H](Cc3[nH+]ccn3C)C1)CC2 ZINC000188155872 823195423 /nfs/dbraw/zinc/19/54/23/823195423.db2.gz JUIHMVWEPQDKQS-UWJYYQICSA-N 1 2 380.536 4.195 20 0 GIADLO O=C(C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2)Nc1cccc(Cl)c1Cl ZINC000571485997 823190263 /nfs/dbraw/zinc/19/02/63/823190263.db2.gz XPANPJIHCGKAKZ-HXUWFJFHSA-N 1 2 391.298 4.402 20 0 GIADLO O=C(C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2)Nc1cccc(Cl)c1Cl ZINC000571485997 823190267 /nfs/dbraw/zinc/19/02/67/823190267.db2.gz XPANPJIHCGKAKZ-HXUWFJFHSA-N 1 2 391.298 4.402 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1ccncc1C ZINC000121475824 823191558 /nfs/dbraw/zinc/19/15/58/823191558.db2.gz PMSCPEQIQLHNLX-UHFFFAOYSA-N 1 2 393.491 4.110 20 0 GIADLO Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056661893 823192008 /nfs/dbraw/zinc/19/20/08/823192008.db2.gz REGVHYNCTOSXCE-IXFSTUDKSA-N 1 2 393.531 4.413 20 0 GIADLO Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056661893 823192013 /nfs/dbraw/zinc/19/20/13/823192013.db2.gz REGVHYNCTOSXCE-IXFSTUDKSA-N 1 2 393.531 4.413 20 0 GIADLO Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000459479114 823201046 /nfs/dbraw/zinc/20/10/46/823201046.db2.gz UFZHKCIBGXZBDC-QGZVFWFLSA-N 1 2 378.476 4.233 20 0 GIADLO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000571539868 823197779 /nfs/dbraw/zinc/19/77/79/823197779.db2.gz KOMZTRNWZNIWHA-QGZVFWFLSA-N 1 2 384.545 4.035 20 0 GIADLO OC[C@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000459466956 823198565 /nfs/dbraw/zinc/19/85/65/823198565.db2.gz POPFAFHQZFXTNY-MFKMUULPSA-N 1 2 386.639 4.095 20 0 GIADLO OC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000459466956 823198570 /nfs/dbraw/zinc/19/85/70/823198570.db2.gz POPFAFHQZFXTNY-MFKMUULPSA-N 1 2 386.639 4.095 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3OC(F)F)CC2)s1 ZINC000571603136 823206553 /nfs/dbraw/zinc/20/65/53/823206553.db2.gz FRIJHHHPWHVGNT-UHFFFAOYSA-N 1 2 395.475 4.262 20 0 GIADLO FC(F)(F)Oc1cccc([C@H]2C[N@H+](Cc3scnc3C3CC3)CCO2)c1 ZINC000571602967 823206604 /nfs/dbraw/zinc/20/66/04/823206604.db2.gz QUTLHRISXUTXHQ-OAHLLOKOSA-N 1 2 384.423 4.493 20 0 GIADLO FC(F)(F)Oc1cccc([C@H]2C[N@@H+](Cc3scnc3C3CC3)CCO2)c1 ZINC000571602967 823206606 /nfs/dbraw/zinc/20/66/06/823206606.db2.gz QUTLHRISXUTXHQ-OAHLLOKOSA-N 1 2 384.423 4.493 20 0 GIADLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000571604353 823206703 /nfs/dbraw/zinc/20/67/03/823206703.db2.gz NAOOVSJHRGOQPH-BHIFYINESA-N 1 2 394.515 4.264 20 0 GIADLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000571604353 823206708 /nfs/dbraw/zinc/20/67/08/823206708.db2.gz NAOOVSJHRGOQPH-BHIFYINESA-N 1 2 394.515 4.264 20 0 GIADLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000571604355 823206988 /nfs/dbraw/zinc/20/69/88/823206988.db2.gz NAOOVSJHRGOQPH-FKBYEOEOSA-N 1 2 394.515 4.264 20 0 GIADLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000571604355 823206992 /nfs/dbraw/zinc/20/69/92/823206992.db2.gz NAOOVSJHRGOQPH-FKBYEOEOSA-N 1 2 394.515 4.264 20 0 GIADLO CC(=O)CCc1ccc2oc(C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)c(C)c2c1 ZINC000571617987 823210048 /nfs/dbraw/zinc/21/00/48/823210048.db2.gz ZXPQFKIOFVQYDZ-UHFFFAOYSA-N 1 2 393.487 4.068 20 0 GIADLO O=C(CCCOc1cccc2ccccc21)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000571628921 823211530 /nfs/dbraw/zinc/21/15/30/823211530.db2.gz ZMHXNIORGWMUGH-UHFFFAOYSA-N 1 2 386.455 4.277 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cccc(-c2nccs2)c1 ZINC000056776901 823211711 /nfs/dbraw/zinc/21/17/11/823211711.db2.gz JOSPWKVRJZDOII-UHFFFAOYSA-N 1 2 389.484 4.377 20 0 GIADLO CCS(=O)(=O)C1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459527007 823211946 /nfs/dbraw/zinc/21/19/46/823211946.db2.gz WNHZYAFQMIMGPG-TWGQIWQCSA-N 1 2 399.556 4.178 20 0 GIADLO COc1ccc2c(c1)C1(CC1)CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C2 ZINC000571635878 823213020 /nfs/dbraw/zinc/21/30/20/823213020.db2.gz WSTHWXYRSKVWFQ-HXUWFJFHSA-N 1 2 387.483 4.014 20 0 GIADLO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)[C@H]1Sc1ccccc1 ZINC000459533440 823213697 /nfs/dbraw/zinc/21/36/97/823213697.db2.gz VPRJEDPWRVWGGV-RKTXRCNFSA-N 1 2 375.538 4.356 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2nc(C(C)C)n3ccccc23)cc(OC)c1OC ZINC000571647248 823213977 /nfs/dbraw/zinc/21/39/77/823213977.db2.gz NPCHGBWZUXZNQB-HNNXBMFYSA-N 1 2 383.492 4.334 20 0 GIADLO COc1ccc(-c2nnc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCC3)o2)cc1 ZINC000459536543 823214512 /nfs/dbraw/zinc/21/45/12/823214512.db2.gz SJOHALWQEDWETJ-OAQYLSRUSA-N 1 2 393.487 4.129 20 0 GIADLO O=C(CSc1nc2ccccc2o1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000571690553 823219697 /nfs/dbraw/zinc/21/96/97/823219697.db2.gz GRGXDXKATABVEC-UHFFFAOYSA-N 1 2 398.875 4.075 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2cccc(N3CCCC3=O)c2)no1)c1ccc(Cl)cc1 ZINC000571701156 823221734 /nfs/dbraw/zinc/22/17/34/823221734.db2.gz HPPBGGADPIWXFM-IBGZPJMESA-N 1 2 396.878 4.168 20 0 GIADLO COc1ccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2csc(N(C(C)=O)C3CC3)n2)cc1 ZINC000121653268 823223165 /nfs/dbraw/zinc/22/31/65/823223165.db2.gz GOYNJPWWBVKLKB-JLTOFOAXSA-N 1 2 385.533 4.250 20 0 GIADLO COc1ccc([C@H]2C[C@@H](C)C[N@H+]2Cc2csc(N(C(C)=O)C3CC3)n2)cc1 ZINC000121653268 823223168 /nfs/dbraw/zinc/22/31/68/823223168.db2.gz GOYNJPWWBVKLKB-JLTOFOAXSA-N 1 2 385.533 4.250 20 0 GIADLO CCO[C@@H]1C[C@@H](Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1Sc1ccccc1 ZINC000459551937 823218683 /nfs/dbraw/zinc/21/86/83/823218683.db2.gz ULNVOLBEHCFWRB-SFHLNBCPSA-N 1 2 380.517 4.077 20 0 GIADLO Cc1nn(-c2ccccc2)c(Cl)c1C[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000176502941 823222917 /nfs/dbraw/zinc/22/29/17/823222917.db2.gz LQGZBZBKBLAISD-MHZLTWQESA-N 1 2 398.919 4.239 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)Cc3csc(Cc4ccccc4)n3)[nH+]c12 ZINC000176505591 823223793 /nfs/dbraw/zinc/22/37/93/823223793.db2.gz ZFMFVAIIYRTOJU-AREMUKBSSA-N 1 2 381.526 4.139 20 0 GIADLO Cc1noc(CSc2ccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc2)n1 ZINC000056866778 823225651 /nfs/dbraw/zinc/22/56/51/823225651.db2.gz ASIAMSCIZJZTKM-UHFFFAOYSA-N 1 2 391.456 4.108 20 0 GIADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000459592433 823226755 /nfs/dbraw/zinc/22/67/55/823226755.db2.gz MKCPKNJHBAHTLC-UHFFFAOYSA-N 1 2 394.306 4.435 20 0 GIADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000459592433 823226760 /nfs/dbraw/zinc/22/67/60/823226760.db2.gz MKCPKNJHBAHTLC-UHFFFAOYSA-N 1 2 394.306 4.435 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000056940335 823232843 /nfs/dbraw/zinc/23/28/43/823232843.db2.gz KDUMSENUYIWAFZ-FQEVSTJZSA-N 1 2 394.906 4.114 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N[C@@H]1CCc2c1cccc2Cl ZINC000056901198 823230223 /nfs/dbraw/zinc/23/02/23/823230223.db2.gz FOOORQYZNDQKQO-HXUWFJFHSA-N 1 2 394.906 4.114 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000176541739 823232992 /nfs/dbraw/zinc/23/29/92/823232992.db2.gz QJPYIXNDBAFPHB-OLRZCDJHSA-N 1 2 397.544 4.043 20 0 GIADLO COc1ccccc1-c1nnc(C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)o1 ZINC000121692425 823231384 /nfs/dbraw/zinc/23/13/84/823231384.db2.gz LVVRZJXBQPLAPM-MGPUTAFESA-N 1 2 381.501 4.424 20 0 GIADLO COc1ccccc1-c1nnc(C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)o1 ZINC000121692425 823231390 /nfs/dbraw/zinc/23/13/90/823231390.db2.gz LVVRZJXBQPLAPM-MGPUTAFESA-N 1 2 381.501 4.424 20 0 GIADLO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@@H](C)c3cncc(F)c3)cs2)cc1 ZINC000459624109 823231691 /nfs/dbraw/zinc/23/16/91/823231691.db2.gz UGMODQYWYMUFAG-AWEZNQCLSA-N 1 2 384.480 4.018 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC1(Cc2cccc(F)c2)CCC1 ZINC000188390669 823232293 /nfs/dbraw/zinc/23/22/93/823232293.db2.gz KQCHQXNHOVIRNK-UHFFFAOYSA-N 1 2 392.478 4.035 20 0 GIADLO COC(=O)c1ccc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)c(Br)c1 ZINC000459634779 823234618 /nfs/dbraw/zinc/23/46/18/823234618.db2.gz RZQYXTYUZPFUCO-SNVBAGLBSA-N 1 2 395.322 4.032 20 0 GIADLO CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409501405 823235734 /nfs/dbraw/zinc/23/57/34/823235734.db2.gz MKAPPUHIHALZSK-QGZVFWFLSA-N 1 2 384.480 4.292 20 0 GIADLO COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2OC)c(Br)c1O ZINC000459647137 823237729 /nfs/dbraw/zinc/23/77/29/823237729.db2.gz DMSOYEGZFBYISF-LBPRGKRZSA-N 1 2 380.282 4.331 20 0 GIADLO Cc1cc(Br)cn2c(CN3CC(C)(CC(F)(F)F)C3)c[nH+]c12 ZINC000459643626 823236449 /nfs/dbraw/zinc/23/64/49/823236449.db2.gz VAFRQJCNCGBYSE-UHFFFAOYSA-N 1 2 376.220 4.180 20 0 GIADLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2cccc3ccccc32)n1 ZINC000121727326 823237926 /nfs/dbraw/zinc/23/79/26/823237926.db2.gz IDNITNGDLDRMKY-HNNXBMFYSA-N 1 2 398.532 4.498 20 0 GIADLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2cccc3ccccc32)n1 ZINC000121727326 823237930 /nfs/dbraw/zinc/23/79/30/823237930.db2.gz IDNITNGDLDRMKY-HNNXBMFYSA-N 1 2 398.532 4.498 20 0 GIADLO CCO[C@@H](C)c1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658057 823242396 /nfs/dbraw/zinc/24/23/96/823242396.db2.gz ITVQKMUDMLYLKG-DZGCQCFKSA-N 1 2 392.487 4.422 20 0 GIADLO CCO[C@@H](C)c1nc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658057 823242399 /nfs/dbraw/zinc/24/23/99/823242399.db2.gz ITVQKMUDMLYLKG-DZGCQCFKSA-N 1 2 392.487 4.422 20 0 GIADLO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3ccc(F)cc3OC(F)F)n2)cc1 ZINC000121733548 823239356 /nfs/dbraw/zinc/23/93/56/823239356.db2.gz GPFXMRWTSBKFAR-ZDUSSCGKSA-N 1 2 391.393 4.472 20 0 GIADLO CC(C)c1[nH+]c(CNC[C@H](C)c2nc(-c3ccccc3)no2)c2ccccn21 ZINC000571887691 823250004 /nfs/dbraw/zinc/25/00/04/823250004.db2.gz WHVKCMJDFFFWJB-INIZCTEOSA-N 1 2 375.476 4.401 20 0 GIADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(Br)c1 ZINC000571943372 823258159 /nfs/dbraw/zinc/25/81/59/823258159.db2.gz VUBNOKFDONUDPT-SJORKVTESA-N 1 2 376.273 4.142 20 0 GIADLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(Br)c1 ZINC000571943372 823258164 /nfs/dbraw/zinc/25/81/64/823258164.db2.gz VUBNOKFDONUDPT-SJORKVTESA-N 1 2 376.273 4.142 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)c1C ZINC000409605402 823259724 /nfs/dbraw/zinc/25/97/24/823259724.db2.gz VWSSDDVBGKPFCG-CYBMUJFWSA-N 1 2 380.410 4.488 20 0 GIADLO O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000176665116 823261553 /nfs/dbraw/zinc/26/15/53/823261553.db2.gz ONDNHAHTLFWSHS-UHFFFAOYSA-N 1 2 396.353 4.381 20 0 GIADLO CCc1ccc([C@@H]2C[N@H+](Cc3c(C)nn(-c4ccccn4)c3C)CCO2)cc1 ZINC000571982364 823265048 /nfs/dbraw/zinc/26/50/48/823265048.db2.gz OCKIZQFHNBPTNJ-QFIPXVFZSA-N 1 2 376.504 4.020 20 0 GIADLO CCc1ccc([C@@H]2C[N@@H+](Cc3c(C)nn(-c4ccccn4)c3C)CCO2)cc1 ZINC000571982364 823265056 /nfs/dbraw/zinc/26/50/56/823265056.db2.gz OCKIZQFHNBPTNJ-QFIPXVFZSA-N 1 2 376.504 4.020 20 0 GIADLO CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1[C@H](CC)[NH+](C)C ZINC000003553592 817484003 /nfs/dbraw/zinc/48/40/03/817484003.db2.gz FJIXXOHZONPYGL-WBVHZDCISA-N 1 2 389.569 4.210 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000003585583 817488910 /nfs/dbraw/zinc/48/89/10/817488910.db2.gz QFXNWBWSAVXLTP-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000003585583 817488913 /nfs/dbraw/zinc/48/89/13/817488913.db2.gz QFXNWBWSAVXLTP-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO O=C(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1)Nc1ccc(F)cc1Cl ZINC000121874888 823267684 /nfs/dbraw/zinc/26/76/84/823267684.db2.gz DEICZXDDIHAWIL-MAUKXSAKSA-N 1 2 394.874 4.379 20 0 GIADLO O=C(C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1)Nc1ccc(F)cc1Cl ZINC000121874888 823267688 /nfs/dbraw/zinc/26/76/88/823267688.db2.gz DEICZXDDIHAWIL-MAUKXSAKSA-N 1 2 394.874 4.379 20 0 GIADLO CC[NH+](CC)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1Cl ZINC000005293547 817569864 /nfs/dbraw/zinc/56/98/64/817569864.db2.gz OOVPMEHEXLJNAV-AGKWGAAGSA-N 1 2 375.856 4.456 20 0 GIADLO Cc1nc(C(C)C)ccc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000460015761 823278927 /nfs/dbraw/zinc/27/89/27/823278927.db2.gz UTHQPFHLAQBYJD-CALCHBBNSA-N 1 2 381.520 4.375 20 0 GIADLO Cc1nc(C(C)C)ccc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000460015761 823278931 /nfs/dbraw/zinc/27/89/31/823278931.db2.gz UTHQPFHLAQBYJD-CALCHBBNSA-N 1 2 381.520 4.375 20 0 GIADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572081344 823279850 /nfs/dbraw/zinc/27/98/50/823279850.db2.gz SKYAFHJNIQWJJX-SJLPKXTDSA-N 1 2 391.874 4.298 20 0 GIADLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ocnc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572081344 823279857 /nfs/dbraw/zinc/27/98/57/823279857.db2.gz SKYAFHJNIQWJJX-SJLPKXTDSA-N 1 2 391.874 4.298 20 0 GIADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000121949844 823283348 /nfs/dbraw/zinc/28/33/48/823283348.db2.gz BKGNKVGBGGZMFC-UHFFFAOYSA-N 1 2 397.862 4.191 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000006976683 817732765 /nfs/dbraw/zinc/73/27/65/817732765.db2.gz LZSRJBNQQITMAM-UHFFFAOYSA-N 1 2 378.407 4.471 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000006976683 817732772 /nfs/dbraw/zinc/73/27/72/817732772.db2.gz LZSRJBNQQITMAM-UHFFFAOYSA-N 1 2 378.407 4.471 20 0 GIADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccncc1Oc1ccccc1 ZINC000572130091 823287514 /nfs/dbraw/zinc/28/75/14/823287514.db2.gz NBGRULYQMNWOFN-IYARVYRRSA-N 1 2 388.471 4.422 20 0 GIADLO O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000460118947 823288148 /nfs/dbraw/zinc/28/81/48/823288148.db2.gz WYCQJGUJVZUTAN-HXUWFJFHSA-N 1 2 380.879 4.046 20 0 GIADLO O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000460118946 823288176 /nfs/dbraw/zinc/28/81/76/823288176.db2.gz WYCQJGUJVZUTAN-FQEVSTJZSA-N 1 2 380.879 4.046 20 0 GIADLO C[C@@H]1CCN(c2ccnc3c(Br)ccc(F)c32)C[C@H]1n1cc[nH+]c1 ZINC000409716713 823289506 /nfs/dbraw/zinc/28/95/06/823289506.db2.gz CQBOTSOUKGJIQE-MLGOLLRUSA-N 1 2 389.272 4.420 20 0 GIADLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000007266404 817807122 /nfs/dbraw/zinc/80/71/22/817807122.db2.gz PJHZWRXLMIXNIM-UHFFFAOYSA-N 1 2 396.512 4.202 20 0 GIADLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000007266404 817807127 /nfs/dbraw/zinc/80/71/27/817807127.db2.gz PJHZWRXLMIXNIM-UHFFFAOYSA-N 1 2 396.512 4.202 20 0 GIADLO CN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460126044 823289907 /nfs/dbraw/zinc/28/99/07/823289907.db2.gz UJBNZAGHWXLLDQ-HDICACEKSA-N 1 2 394.441 4.194 20 0 GIADLO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)Cc3ccc(C(C)C)cc3)nc(N)c21 ZINC000007360305 817823825 /nfs/dbraw/zinc/82/38/25/817823825.db2.gz KPNVNBVSMMDHKV-UHFFFAOYSA-N 1 2 396.491 4.046 20 0 GIADLO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)Cc3ccc(C(C)C)cc3)nc(N)c21 ZINC000007360305 817823831 /nfs/dbraw/zinc/82/38/31/817823831.db2.gz KPNVNBVSMMDHKV-UHFFFAOYSA-N 1 2 396.491 4.046 20 0 GIADLO Cc1ccc2nc(C[NH2+][C@H](C)c3cc(F)c(Cl)cc3Cl)cc(=O)n2c1 ZINC000007375070 817826949 /nfs/dbraw/zinc/82/69/49/817826949.db2.gz DKYGYPVOACGHFS-LLVKDONJSA-N 1 2 380.250 4.300 20 0 GIADLO Clc1ccc(-n2c(C[NH+]3CCCC3)nnc2SCC[C@H]2CCCO2)cc1 ZINC000188723937 823293426 /nfs/dbraw/zinc/29/34/26/823293426.db2.gz FJYYEBUZHYIPSH-QGZVFWFLSA-N 1 2 392.956 4.178 20 0 GIADLO COc1cccc([C@H]([NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)c2ccccc2Cl)c1 ZINC000176798307 823295353 /nfs/dbraw/zinc/29/53/53/823295353.db2.gz DSBDHMJZBYFZQF-NRFANRHFSA-N 1 2 397.906 4.258 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C)c1 ZINC000007716969 817901631 /nfs/dbraw/zinc/90/16/31/817901631.db2.gz GFXKFXXXIVPRPO-IBGZPJMESA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C)c1 ZINC000007716969 817901633 /nfs/dbraw/zinc/90/16/33/817901633.db2.gz GFXKFXXXIVPRPO-IBGZPJMESA-N 1 2 388.895 4.441 20 0 GIADLO Cn1cc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)c2ccc(Cl)cc21 ZINC000572189532 823297018 /nfs/dbraw/zinc/29/70/18/823297018.db2.gz WGBBRLGBLWICOA-LJQANCHMSA-N 1 2 383.858 4.011 20 0 GIADLO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000008000688 817978751 /nfs/dbraw/zinc/97/87/51/817978751.db2.gz RLBJTUYSBQCLMI-OAQYLSRUSA-N 1 2 382.554 4.416 20 0 GIADLO CN(Cc1ccccc1)C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000008000688 817978753 /nfs/dbraw/zinc/97/87/53/817978753.db2.gz RLBJTUYSBQCLMI-OAQYLSRUSA-N 1 2 382.554 4.416 20 0 GIADLO C[C@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000460166600 823303497 /nfs/dbraw/zinc/30/34/97/823303497.db2.gz VLQNCJOPIIDGJF-INIZCTEOSA-N 1 2 391.450 4.204 20 0 GIADLO C[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000460166606 823303568 /nfs/dbraw/zinc/30/35/68/823303568.db2.gz VLQNCJOPIIDGJF-MRXNPFEDSA-N 1 2 391.450 4.204 20 0 GIADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000122082498 823303632 /nfs/dbraw/zinc/30/36/32/823303632.db2.gz QWQURTJWMHCZOU-SJORKVTESA-N 1 2 392.528 4.477 20 0 GIADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000122082498 823303635 /nfs/dbraw/zinc/30/36/35/823303635.db2.gz QWQURTJWMHCZOU-SJORKVTESA-N 1 2 392.528 4.477 20 0 GIADLO CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)[nH+]3)C2=O)cc1 ZINC000008178535 818013034 /nfs/dbraw/zinc/01/30/34/818013034.db2.gz LCMMSMPIMLZWLC-QNGOZBTKSA-N 1 2 399.450 4.429 20 0 GIADLO Cc1ccc(-c2ocnc2C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000460171852 823305234 /nfs/dbraw/zinc/30/52/34/823305234.db2.gz KMJMUZYNCVEGQX-KRWDZBQOSA-N 1 2 391.471 4.296 20 0 GIADLO Cc1ccccc1OCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000057530260 823307299 /nfs/dbraw/zinc/30/72/99/823307299.db2.gz KEJKJAZJYWGQFG-UHFFFAOYSA-N 1 2 394.544 4.343 20 0 GIADLO O=c1[nH]c(C[NH+]2CCC(CCc3ccccc3)CC2)nc2ccc(Cl)cc21 ZINC000011155736 818057913 /nfs/dbraw/zinc/05/79/13/818057913.db2.gz BJROZTOFLHWOBJ-UHFFFAOYSA-N 1 2 381.907 4.421 20 0 GIADLO CCN1C[C@@H](C[N@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)Oc2ccccc21 ZINC000011193444 818060514 /nfs/dbraw/zinc/06/05/14/818060514.db2.gz YJONMUMPCJVHJB-GOSISDBHSA-N 1 2 381.451 4.200 20 0 GIADLO CCN1C[C@@H](C[N@@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)Oc2ccccc21 ZINC000011193444 818060524 /nfs/dbraw/zinc/06/05/24/818060524.db2.gz YJONMUMPCJVHJB-GOSISDBHSA-N 1 2 381.451 4.200 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)N(C)CCCOC(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572267701 823310323 /nfs/dbraw/zinc/31/03/23/823310323.db2.gz UTTHMERRROHWQJ-RTBURBONSA-N 1 2 399.938 4.071 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)N(C)CCCOC(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572267701 823310327 /nfs/dbraw/zinc/31/03/27/823310327.db2.gz UTTHMERRROHWQJ-RTBURBONSA-N 1 2 399.938 4.071 20 0 GIADLO CC[C@@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1c(C)nn(C)c1C ZINC000122162122 823315143 /nfs/dbraw/zinc/31/51/43/823315143.db2.gz VMVGGAPDTWZYAU-OAHLLOKOSA-N 1 2 385.537 4.268 20 0 GIADLO Cc1csc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1Br ZINC000190892800 823620776 /nfs/dbraw/zinc/62/07/76/823620776.db2.gz YNQVCIFEINJCQG-UHFFFAOYSA-N 1 2 394.338 4.134 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2ccc(OCC3CC3)nc2)no1)c1cccc(Cl)c1 ZINC000572321933 823319914 /nfs/dbraw/zinc/31/99/14/823319914.db2.gz DBCRJUJQINYCES-GOSISDBHSA-N 1 2 384.867 4.225 20 0 GIADLO COc1cc(Br)c(C[NH2+][C@@H]2CCOc3c(C)cccc32)c(OC)c1 ZINC000188872810 823320955 /nfs/dbraw/zinc/32/09/55/823320955.db2.gz UTXPCFNQUZXXDA-QGZVFWFLSA-N 1 2 392.293 4.388 20 0 GIADLO CN(C)c1cc(Cl)cc(Cl)c1CNc1cc(CSCCO)cc[nH+]1 ZINC000572326987 823320999 /nfs/dbraw/zinc/32/09/99/823320999.db2.gz PRDXYCIGAHDCTH-UHFFFAOYSA-N 1 2 386.348 4.292 20 0 GIADLO Cc1ccsc1C[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000014067866 818219798 /nfs/dbraw/zinc/21/97/98/818219798.db2.gz WEGKFFZWVVSPCG-UHFFFAOYSA-N 1 2 375.494 4.390 20 0 GIADLO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000014067866 818219805 /nfs/dbraw/zinc/21/98/05/818219805.db2.gz WEGKFFZWVVSPCG-UHFFFAOYSA-N 1 2 375.494 4.390 20 0 GIADLO COc1ccc(-c2nn(C[N@@H+]3CCC[C@H]3c3ccccc3)c(=S)n2C)cc1 ZINC000014308317 818233236 /nfs/dbraw/zinc/23/32/36/818233236.db2.gz VMQSYTRXUUTVAO-IBGZPJMESA-N 1 2 380.517 4.421 20 0 GIADLO COc1ccc(-c2nn(C[N@H+]3CCC[C@H]3c3ccccc3)c(=S)n2C)cc1 ZINC000014308317 818233241 /nfs/dbraw/zinc/23/32/41/818233241.db2.gz VMQSYTRXUUTVAO-IBGZPJMESA-N 1 2 380.517 4.421 20 0 GIADLO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000572330537 823322430 /nfs/dbraw/zinc/32/24/30/823322430.db2.gz VLNIOYJMGBRWBR-IBGZPJMESA-N 1 2 387.405 4.082 20 0 GIADLO O=C(c1ccccc1)C1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000014729225 818262590 /nfs/dbraw/zinc/26/25/90/818262590.db2.gz GGALFLXYQKXEIA-UHFFFAOYSA-N 1 2 381.863 4.485 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc(Cl)cc1OC(F)F ZINC000460231683 823324844 /nfs/dbraw/zinc/32/48/44/823324844.db2.gz JBAJWYKFRIXLLG-UHFFFAOYSA-N 1 2 384.814 4.350 20 0 GIADLO CC(=O)N(c1nc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)cs1)C1CC1 ZINC000188912357 823327663 /nfs/dbraw/zinc/32/76/63/823327663.db2.gz KMPNEIYZQASGRR-UHFFFAOYSA-N 1 2 383.439 4.275 20 0 GIADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC(C1CC1)C1CC1 ZINC000057749743 823328271 /nfs/dbraw/zinc/32/82/71/823328271.db2.gz BDJWTGCBSBZGMJ-QGZVFWFLSA-N 1 2 379.907 4.104 20 0 GIADLO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000015521758 818333936 /nfs/dbraw/zinc/33/39/36/818333936.db2.gz QRSQASHHNXULOZ-MRXNPFEDSA-N 1 2 385.817 4.473 20 0 GIADLO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000015521758 818333944 /nfs/dbraw/zinc/33/39/44/818333944.db2.gz QRSQASHHNXULOZ-MRXNPFEDSA-N 1 2 385.817 4.473 20 0 GIADLO Cc1ccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000015548664 818336779 /nfs/dbraw/zinc/33/67/79/818336779.db2.gz JZXHFBKFUVSOHX-OAQYLSRUSA-N 1 2 382.554 4.382 20 0 GIADLO Cc1ccc(CNC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000015548664 818336790 /nfs/dbraw/zinc/33/67/90/818336790.db2.gz JZXHFBKFUVSOHX-OAQYLSRUSA-N 1 2 382.554 4.382 20 0 GIADLO Cc1ccccc1CCNC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000015548853 818337640 /nfs/dbraw/zinc/33/76/40/818337640.db2.gz NDGAAOZMLUYBAX-JOCHJYFZSA-N 1 2 396.581 4.424 20 0 GIADLO Cc1ccccc1CCNC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000015548853 818337649 /nfs/dbraw/zinc/33/76/49/818337649.db2.gz NDGAAOZMLUYBAX-JOCHJYFZSA-N 1 2 396.581 4.424 20 0 GIADLO Cc1cc(N2CCCC2)ccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000122319147 823337311 /nfs/dbraw/zinc/33/73/11/823337311.db2.gz SYEQNGSXTPCOSJ-UHFFFAOYSA-N 1 2 393.535 4.302 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3cc4c(s3)CC[C@H](C)C4)CC2)nc(C(C)C)[nH+]1 ZINC000016103346 818393289 /nfs/dbraw/zinc/39/32/89/818393289.db2.gz UBMKYCVKXAIARW-HNNXBMFYSA-N 1 2 398.576 4.057 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(SC)c2)c(OC)c1 ZINC000016382406 818432481 /nfs/dbraw/zinc/43/24/81/818432481.db2.gz JVYJCQVGBFJWNE-IBGZPJMESA-N 1 2 386.517 4.201 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(SC)c2)c(OC)c1 ZINC000016382406 818432485 /nfs/dbraw/zinc/43/24/85/818432485.db2.gz JVYJCQVGBFJWNE-IBGZPJMESA-N 1 2 386.517 4.201 20 0 GIADLO COc1cccc([C@@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000122314460 823336650 /nfs/dbraw/zinc/33/66/50/823336650.db2.gz SFQJPOHCHFHTTO-NRFANRHFSA-N 1 2 394.519 4.127 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)Cc1cccc(F)c1 ZINC000016585364 818456190 /nfs/dbraw/zinc/45/61/90/818456190.db2.gz XPTIERDROFTYQS-SFHVURJKSA-N 1 2 397.475 4.290 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)Cc1cccc(F)c1 ZINC000016585364 818456196 /nfs/dbraw/zinc/45/61/96/818456196.db2.gz XPTIERDROFTYQS-SFHVURJKSA-N 1 2 397.475 4.290 20 0 GIADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000016588749 818456249 /nfs/dbraw/zinc/45/62/49/818456249.db2.gz DFWUIVIYWMBNRL-KBXCAEBGSA-N 1 2 383.492 4.450 20 0 GIADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000016588749 818456253 /nfs/dbraw/zinc/45/62/53/818456253.db2.gz DFWUIVIYWMBNRL-KBXCAEBGSA-N 1 2 383.492 4.450 20 0 GIADLO Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc3n2)o1 ZINC000016637114 818461796 /nfs/dbraw/zinc/46/17/96/818461796.db2.gz AECFNEPLEGBHBY-UHFFFAOYSA-N 1 2 398.466 4.161 20 0 GIADLO Cc1cc(CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)no1 ZINC000016927607 818489369 /nfs/dbraw/zinc/48/93/69/818489369.db2.gz RJHNQEJAAZETDB-LBPRGKRZSA-N 1 2 377.901 4.132 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)C3(Cc4ccc(C(F)(F)F)cc4)CC3)sc2C1 ZINC000189006229 823341268 /nfs/dbraw/zinc/34/12/68/823341268.db2.gz SEMKYSMHOJWHIK-UHFFFAOYSA-N 1 2 395.450 4.111 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)C3(Cc4ccc(C(F)(F)F)cc4)CC3)sc2C1 ZINC000189006229 823341275 /nfs/dbraw/zinc/34/12/75/823341275.db2.gz SEMKYSMHOJWHIK-UHFFFAOYSA-N 1 2 395.450 4.111 20 0 GIADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000189041471 823347168 /nfs/dbraw/zinc/34/71/68/823347168.db2.gz HYIAUQIUAFFRTF-OAHLLOKOSA-N 1 2 383.398 4.110 20 0 GIADLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000189041471 823347175 /nfs/dbraw/zinc/34/71/75/823347175.db2.gz HYIAUQIUAFFRTF-OAHLLOKOSA-N 1 2 383.398 4.110 20 0 GIADLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccc(Cl)s1 ZINC000018938935 818580898 /nfs/dbraw/zinc/58/08/98/818580898.db2.gz FDQRIARMJMMUHQ-VIFPVBQESA-N 1 2 388.276 4.422 20 0 GIADLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000018938935 818580906 /nfs/dbraw/zinc/58/09/06/818580906.db2.gz FDQRIARMJMMUHQ-VIFPVBQESA-N 1 2 388.276 4.422 20 0 GIADLO COc1cccc(N[NH2+]C=C2c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000018993371 818583992 /nfs/dbraw/zinc/58/39/92/818583992.db2.gz QADBLUUGUDKJOA-JCMHNJIXSA-N 1 2 399.450 4.148 20 0 GIADLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000020543256 818624678 /nfs/dbraw/zinc/62/46/78/818624678.db2.gz ORUKHXOWUFZFTM-UHFFFAOYSA-N 1 2 394.302 4.352 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cnccc2Oc2ccccc2)CC1 ZINC000409957231 823353754 /nfs/dbraw/zinc/35/37/54/823353754.db2.gz KJUHLNLMYGTMGK-KRWDZBQOSA-N 1 2 393.512 4.454 20 0 GIADLO CCC[C@@]1(CO)CCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000572542311 823357825 /nfs/dbraw/zinc/35/78/25/823357825.db2.gz BWWXRHHYLMOIOB-QFIPXVFZSA-N 1 2 382.508 4.045 20 0 GIADLO COc1cc2cc[nH+]c(N3CCC(O)(Cc4cccc(F)c4)CC3)c2cc1F ZINC000572555738 823360184 /nfs/dbraw/zinc/36/01/84/823360184.db2.gz MANVQNQXCUSWOA-UHFFFAOYSA-N 1 2 384.426 4.096 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccccc2F)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000189157862 823367023 /nfs/dbraw/zinc/36/70/23/823367023.db2.gz FZAWUHBNTPIIHD-ZDUSSCGKSA-N 1 2 380.423 4.075 20 0 GIADLO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1-n1cccc1 ZINC000022290837 818790769 /nfs/dbraw/zinc/79/07/69/818790769.db2.gz OFFIVPCXIAVPNG-UHFFFAOYSA-N 1 2 380.517 4.480 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3cc(-c4cccs4)on3)n2)CC1 ZINC000022292463 818791365 /nfs/dbraw/zinc/79/13/65/818791365.db2.gz OJGOUHPLGLOBCL-UHFFFAOYSA-N 1 2 388.518 4.344 20 0 GIADLO CCCCC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022341215 818794523 /nfs/dbraw/zinc/79/45/23/818794523.db2.gz YBUUPCIGAGSCNM-UHFFFAOYSA-N 1 2 380.532 4.127 20 0 GIADLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1ccc(-c2cccc3cccnc32)cc1 ZINC000572590207 823366578 /nfs/dbraw/zinc/36/65/78/823366578.db2.gz MMNWKKBYHMBPAV-UHFFFAOYSA-N 1 2 392.422 4.130 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@H+](C)CC3CCCC3)c2=S)c1 ZINC000058207399 823368828 /nfs/dbraw/zinc/36/88/28/823368828.db2.gz VDZFWFUUPYEIMB-UHFFFAOYSA-N 1 2 399.564 4.319 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@@H+](C)CC3CCCC3)c2=S)c1 ZINC000058207399 823368833 /nfs/dbraw/zinc/36/88/33/823368833.db2.gz VDZFWFUUPYEIMB-UHFFFAOYSA-N 1 2 399.564 4.319 20 0 GIADLO CCc1cccc(CC)c1NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022773768 818858903 /nfs/dbraw/zinc/85/89/03/818858903.db2.gz CAJRTWYNFQRDED-FMIVXFBMSA-N 1 2 391.559 4.081 20 0 GIADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000410014215 823371258 /nfs/dbraw/zinc/37/12/58/823371258.db2.gz INQWCMIUCVBVAO-UHFFFAOYSA-N 1 2 381.386 4.462 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nc(-c2ccccc2F)no1 ZINC000189187000 823372464 /nfs/dbraw/zinc/37/24/64/823372464.db2.gz HGSQHXXGULFJLS-JTQLQIEISA-N 1 2 397.376 4.102 20 0 GIADLO CC[NH+](CC)[C@@H](CN[C@@H](c1nc[nH]n1)c1ccccc1)c1ccccc1Cl ZINC000572639479 823372866 /nfs/dbraw/zinc/37/28/66/823372866.db2.gz JKISLFGSMNJKBL-VQTJNVASSA-N 1 2 383.927 4.220 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000058273535 823373794 /nfs/dbraw/zinc/37/37/94/823373794.db2.gz XYRXEEFJEJRHET-UHFFFAOYSA-N 1 2 389.286 4.269 20 0 GIADLO CCCCC1CCC(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000023313649 818923399 /nfs/dbraw/zinc/92/33/99/818923399.db2.gz IJIFCMYPJVPPBF-UHFFFAOYSA-N 1 2 399.579 4.202 20 0 GIADLO Cc1cc(Br)c(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1Cl ZINC000122593523 823378486 /nfs/dbraw/zinc/37/84/86/823378486.db2.gz JEJQKMGMNOVING-LBPRGKRZSA-N 1 2 397.704 4.304 20 0 GIADLO CCN1C[C@H](C[N@H+](C)Cc2nnc(-c3ccc(Cl)cc3)o2)Oc2ccccc21 ZINC000058289099 823374935 /nfs/dbraw/zinc/37/49/35/823374935.db2.gz MMQAOWSYBLASTC-KRWDZBQOSA-N 1 2 398.894 4.109 20 0 GIADLO CCN1C[C@H](C[N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3)o2)Oc2ccccc21 ZINC000058289099 823374942 /nfs/dbraw/zinc/37/49/42/823374942.db2.gz MMQAOWSYBLASTC-KRWDZBQOSA-N 1 2 398.894 4.109 20 0 GIADLO COc1ccccc1[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1Cl ZINC000572647235 823375072 /nfs/dbraw/zinc/37/50/72/823375072.db2.gz GBJNWHNLAAZUCC-BTYIYWSLSA-N 1 2 395.890 4.013 20 0 GIADLO COC(C)(C)C[N@H+](C)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000572664002 823378037 /nfs/dbraw/zinc/37/80/37/823378037.db2.gz ABJINRMFXOEDFF-UHFFFAOYSA-N 1 2 375.538 4.301 20 0 GIADLO COC(C)(C)C[N@@H+](C)Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000572664002 823378043 /nfs/dbraw/zinc/37/80/43/823378043.db2.gz ABJINRMFXOEDFF-UHFFFAOYSA-N 1 2 375.538 4.301 20 0 GIADLO COc1ccc(-c2nn(C[N@@H+]3CCC[C@H]3c3cccs3)c(=S)n2C)cc1 ZINC000024106416 819025408 /nfs/dbraw/zinc/02/54/08/819025408.db2.gz BMVMIAIBNUXACN-INIZCTEOSA-N 1 2 386.546 4.483 20 0 GIADLO COc1ccc(-c2nn(C[N@H+]3CCC[C@H]3c3cccs3)c(=S)n2C)cc1 ZINC000024106416 819025412 /nfs/dbraw/zinc/02/54/12/819025412.db2.gz BMVMIAIBNUXACN-INIZCTEOSA-N 1 2 386.546 4.483 20 0 GIADLO O=C(C[NH+]1CCC([C@@H]2CCCO2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000189243972 823380741 /nfs/dbraw/zinc/38/07/41/823380741.db2.gz DZLHWGFKEBFINQ-INIZCTEOSA-N 1 2 390.833 4.188 20 0 GIADLO O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000189244000 823380771 /nfs/dbraw/zinc/38/07/71/823380771.db2.gz DZLHWGFKEBFINQ-MRXNPFEDSA-N 1 2 390.833 4.188 20 0 GIADLO Cc1nc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc12 ZINC000024257609 819040315 /nfs/dbraw/zinc/04/03/15/819040315.db2.gz GRTGGERGDZVYHO-UHFFFAOYSA-N 1 2 386.421 4.279 20 0 GIADLO CC(C)c1c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cnn1-c1ccccc1 ZINC000024437720 819056868 /nfs/dbraw/zinc/05/68/68/819056868.db2.gz UEFNSGSGOLPLGT-UHFFFAOYSA-N 1 2 399.498 4.171 20 0 GIADLO O[C@@H](C[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1)c1ccco1 ZINC000177155579 823385846 /nfs/dbraw/zinc/38/58/46/823385846.db2.gz MEDPAZAJEGTRHW-QFIPXVFZSA-N 1 2 387.483 4.260 20 0 GIADLO O[C@@H](C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1)c1ccco1 ZINC000177155579 823385851 /nfs/dbraw/zinc/38/58/51/823385851.db2.gz MEDPAZAJEGTRHW-QFIPXVFZSA-N 1 2 387.483 4.260 20 0 GIADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)c2C1 ZINC000189284420 823386678 /nfs/dbraw/zinc/38/66/78/823386678.db2.gz NPJYPJWFCBGOPZ-UHFFFAOYSA-N 1 2 398.450 4.318 20 0 GIADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)c2C1 ZINC000189284420 823386686 /nfs/dbraw/zinc/38/66/86/823386686.db2.gz NPJYPJWFCBGOPZ-UHFFFAOYSA-N 1 2 398.450 4.318 20 0 GIADLO CC[C@@H](C)[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000410085067 823386745 /nfs/dbraw/zinc/38/67/45/823386745.db2.gz SMZUKMXEARQPAZ-IERDGZPVSA-N 1 2 387.487 4.325 20 0 GIADLO O=C(Cc1nc(C[N@H+](CCC(F)(F)F)CC2CC2)cs1)Nc1ccccc1 ZINC000177162937 823387686 /nfs/dbraw/zinc/38/76/86/823387686.db2.gz VBHIUSSYHRZSES-UHFFFAOYSA-N 1 2 397.466 4.489 20 0 GIADLO O=C(Cc1nc(C[N@@H+](CCC(F)(F)F)CC2CC2)cs1)Nc1ccccc1 ZINC000177162937 823387689 /nfs/dbraw/zinc/38/76/89/823387689.db2.gz VBHIUSSYHRZSES-UHFFFAOYSA-N 1 2 397.466 4.489 20 0 GIADLO O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000572717563 823388238 /nfs/dbraw/zinc/38/82/38/823388238.db2.gz HCPNYVSSSMWJIG-WOJBJXKFSA-N 1 2 375.476 4.032 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000058454432 823394354 /nfs/dbraw/zinc/39/43/54/823394354.db2.gz LVCFPPMRFLYEMZ-UHFFFAOYSA-N 1 2 393.516 4.491 20 0 GIADLO C[C@@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccc(Cl)s1 ZINC000177198143 823396970 /nfs/dbraw/zinc/39/69/70/823396970.db2.gz PDKXMUSEUUEAEM-CQSZACIVSA-N 1 2 391.968 4.356 20 0 GIADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000572828665 823406288 /nfs/dbraw/zinc/40/62/88/823406288.db2.gz XADJQZHECCCXPV-CPUCHLNUSA-N 1 2 393.560 4.376 20 0 GIADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000572828665 823406290 /nfs/dbraw/zinc/40/62/90/823406290.db2.gz XADJQZHECCCXPV-CPUCHLNUSA-N 1 2 393.560 4.376 20 0 GIADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccsc1Cl ZINC000189391397 823406917 /nfs/dbraw/zinc/40/69/17/823406917.db2.gz NOKXQCUMIIQAAC-OAHLLOKOSA-N 1 2 393.940 4.156 20 0 GIADLO COc1cccc([C@@H](C)CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000177241608 823407933 /nfs/dbraw/zinc/40/79/33/823407933.db2.gz CBJHLICOJFNRMM-SFHVURJKSA-N 1 2 381.520 4.281 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000058579466 823412136 /nfs/dbraw/zinc/41/21/36/823412136.db2.gz FMNJZMUYKBQDAF-UHFFFAOYSA-N 1 2 385.483 4.095 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000058579466 823412139 /nfs/dbraw/zinc/41/21/39/823412139.db2.gz FMNJZMUYKBQDAF-UHFFFAOYSA-N 1 2 385.483 4.095 20 0 GIADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2n1C(F)F ZINC000410182858 823413264 /nfs/dbraw/zinc/41/32/64/823413264.db2.gz UURIFIWTSMAGSO-AWEZNQCLSA-N 1 2 395.413 4.167 20 0 GIADLO CC(C)c1nc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)cs1 ZINC000058563274 823410053 /nfs/dbraw/zinc/41/00/53/823410053.db2.gz CZADFBYHZNCEST-UHFFFAOYSA-N 1 2 379.957 4.117 20 0 GIADLO Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n(-c2ccc(Cl)cc2)n1 ZINC000410188485 823414551 /nfs/dbraw/zinc/41/45/51/823414551.db2.gz LLGATINGPFJPKZ-UHFFFAOYSA-N 1 2 391.862 4.331 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccccc2Br)c1C ZINC000058601037 823414979 /nfs/dbraw/zinc/41/49/79/823414979.db2.gz HKTGJKLYUBJONZ-UHFFFAOYSA-N 1 2 378.270 4.133 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1C ZINC000058601726 823415324 /nfs/dbraw/zinc/41/53/24/823415324.db2.gz QURYABHNQYUKBV-UHFFFAOYSA-N 1 2 382.508 4.361 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cs1)c1ccc(F)cc1 ZINC000572896457 823416140 /nfs/dbraw/zinc/41/61/40/823416140.db2.gz RWSKEUGYGSDZMA-QGZVFWFLSA-N 1 2 396.491 4.351 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cs1)c1ccc(F)cc1 ZINC000572896457 823416143 /nfs/dbraw/zinc/41/61/43/823416143.db2.gz RWSKEUGYGSDZMA-QGZVFWFLSA-N 1 2 396.491 4.351 20 0 GIADLO C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000460519897 823416764 /nfs/dbraw/zinc/41/67/64/823416764.db2.gz PGVYBPDDUVJKEI-KRWDZBQOSA-N 1 2 394.906 4.045 20 0 GIADLO O=C(CCCOc1cccc(F)c1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000572923662 823420471 /nfs/dbraw/zinc/42/04/71/823420471.db2.gz IJOMXRDOABDXDY-UHFFFAOYSA-N 1 2 387.842 4.140 20 0 GIADLO CC(C)[C@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccc(F)cc1 ZINC000410209444 823420501 /nfs/dbraw/zinc/42/05/01/823420501.db2.gz VKBCTSBHIJGOGL-UTKZUKDTSA-N 1 2 384.499 4.006 20 0 GIADLO Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000122890757 823429643 /nfs/dbraw/zinc/42/96/43/823429643.db2.gz AHHFOCJFIWQURT-XMSQKQJNSA-N 1 2 387.483 4.146 20 0 GIADLO Cc1c[nH+]c2cc(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCCO3)ccn12 ZINC000572983107 823429989 /nfs/dbraw/zinc/42/99/89/823429989.db2.gz HEXGSMCTBPOLFV-QGZVFWFLSA-N 1 2 399.878 4.496 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Nc2cccc3ccn(C)c32)C[C@H](C)O1 ZINC000189500985 823432160 /nfs/dbraw/zinc/43/21/60/823432160.db2.gz KJTPSMBEQYFCRF-CALCHBBNSA-N 1 2 392.503 4.432 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Nc2cccc3ccn(C)c32)C[C@H](C)O1 ZINC000189500985 823432165 /nfs/dbraw/zinc/43/21/65/823432165.db2.gz KJTPSMBEQYFCRF-CALCHBBNSA-N 1 2 392.503 4.432 20 0 GIADLO CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1cccs1 ZINC000024740392 819871132 /nfs/dbraw/zinc/87/11/32/819871132.db2.gz YGTIRJAWKVRRKP-KRWDZBQOSA-N 1 2 383.473 4.134 20 0 GIADLO CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1cccs1 ZINC000024740392 819871142 /nfs/dbraw/zinc/87/11/42/819871142.db2.gz YGTIRJAWKVRRKP-KRWDZBQOSA-N 1 2 383.473 4.134 20 0 GIADLO O=C(CCCc1nc2ccccc2s1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024746659 819872140 /nfs/dbraw/zinc/87/21/40/819872140.db2.gz VOTNTXULLPZSIY-UHFFFAOYSA-N 1 2 390.512 4.180 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)c2cccnc12 ZINC000024752802 819873391 /nfs/dbraw/zinc/87/33/91/819873391.db2.gz MQVYTLRFCMDHLU-UHFFFAOYSA-N 1 2 376.847 4.063 20 0 GIADLO Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H](C)CO2)c1 ZINC000460565305 823435143 /nfs/dbraw/zinc/43/51/43/823435143.db2.gz OBDSVTATDRJXOQ-PGRDOPGGSA-N 1 2 375.472 4.091 20 0 GIADLO Cc1cc(C)c(OCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c(C)c1 ZINC000024886347 819888947 /nfs/dbraw/zinc/88/89/47/819888947.db2.gz YNVXUKWMRLNJBW-AWEZNQCLSA-N 1 2 387.549 4.318 20 0 GIADLO Cc1cc(C)c(OCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c(C)c1 ZINC000024886347 819888956 /nfs/dbraw/zinc/88/89/56/819888956.db2.gz YNVXUKWMRLNJBW-AWEZNQCLSA-N 1 2 387.549 4.318 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccc(F)cc3Cl)n2)C1 ZINC000024888199 819889839 /nfs/dbraw/zinc/88/98/39/819889839.db2.gz IBXZXWXYVGPNRL-GFCCVEGCSA-N 1 2 397.903 4.185 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccc(F)cc3Cl)n2)C1 ZINC000024888199 819889845 /nfs/dbraw/zinc/88/98/45/819889845.db2.gz IBXZXWXYVGPNRL-GFCCVEGCSA-N 1 2 397.903 4.185 20 0 GIADLO Cc1cccc(OCCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000410255343 823436162 /nfs/dbraw/zinc/43/61/62/823436162.db2.gz HYMREXGEHZLEJQ-IBGZPJMESA-N 1 2 381.520 4.011 20 0 GIADLO CC(C)Cc1ccc(CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410259474 823437740 /nfs/dbraw/zinc/43/77/40/823437740.db2.gz AWJYXGSLGBOCCK-OAQYLSRUSA-N 1 2 379.548 4.367 20 0 GIADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025056076 819916500 /nfs/dbraw/zinc/91/65/00/819916500.db2.gz SNRLFWSXPWETML-QGZVFWFLSA-N 1 2 380.488 4.007 20 0 GIADLO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025056706 819917250 /nfs/dbraw/zinc/91/72/50/819917250.db2.gz TWRMOTOPBFORFC-LJQANCHMSA-N 1 2 383.492 4.075 20 0 GIADLO Clc1cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)ccc1Br ZINC000189529829 823438384 /nfs/dbraw/zinc/43/83/84/823438384.db2.gz OIIULWWRSXVJGX-HNNXBMFYSA-N 1 2 388.733 4.263 20 0 GIADLO O[C@H](COc1cccc2ccccc21)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000025228642 819947036 /nfs/dbraw/zinc/94/70/36/819947036.db2.gz OGAYJZBYMVYROY-IBGZPJMESA-N 1 2 377.440 4.468 20 0 GIADLO CC(C)(C)c1ccc(OCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410264445 823440045 /nfs/dbraw/zinc/44/00/45/823440045.db2.gz JIYZNBHBNQQEOD-GOSISDBHSA-N 1 2 395.547 4.302 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3scnc3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189545556 823441324 /nfs/dbraw/zinc/44/13/24/823441324.db2.gz JNRVXBZPFFWFCT-QAPCUYQASA-N 1 2 388.443 4.141 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3scnc3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189545556 823441327 /nfs/dbraw/zinc/44/13/27/823441327.db2.gz JNRVXBZPFFWFCT-QAPCUYQASA-N 1 2 388.443 4.141 20 0 GIADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410267597 823441390 /nfs/dbraw/zinc/44/13/90/823441390.db2.gz RQIDUNXURALTNF-AEFFLSMTSA-N 1 2 385.939 4.458 20 0 GIADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410269507 823442668 /nfs/dbraw/zinc/44/26/68/823442668.db2.gz CJHHGPJBCKBLRA-FUHWJXTLSA-N 1 2 385.939 4.458 20 0 GIADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)Nc1ccccc1C(F)(F)F ZINC000025416737 819977126 /nfs/dbraw/zinc/97/71/26/819977126.db2.gz JNNDYXQFPLMCLH-FQEVSTJZSA-N 1 2 385.389 4.418 20 0 GIADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025443026 819981412 /nfs/dbraw/zinc/98/14/12/819981412.db2.gz HNPPPGDYPZQNPP-MRXNPFEDSA-N 1 2 390.480 4.066 20 0 GIADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025443026 819981419 /nfs/dbraw/zinc/98/14/19/819981419.db2.gz HNPPPGDYPZQNPP-MRXNPFEDSA-N 1 2 390.480 4.066 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1COc1ccccc1 ZINC000025666189 820012861 /nfs/dbraw/zinc/01/28/61/820012861.db2.gz VMDZXOSOHGCMOG-UHFFFAOYSA-N 1 2 397.478 4.440 20 0 GIADLO CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1cccc(F)c1 ZINC000025801043 820026204 /nfs/dbraw/zinc/02/62/04/820026204.db2.gz JFDFZMDFAZFABZ-IBGZPJMESA-N 1 2 395.434 4.212 20 0 GIADLO CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1cccc(F)c1 ZINC000025801043 820026218 /nfs/dbraw/zinc/02/62/18/820026218.db2.gz JFDFZMDFAZFABZ-IBGZPJMESA-N 1 2 395.434 4.212 20 0 GIADLO C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410290020 823450920 /nfs/dbraw/zinc/45/09/20/823450920.db2.gz NVJQPXJLYYIKEZ-HZPDHXFCSA-N 1 2 387.911 4.046 20 0 GIADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026302583 820079763 /nfs/dbraw/zinc/07/97/63/820079763.db2.gz CVUVNQHEIMDMDS-MRXNPFEDSA-N 1 2 378.476 4.331 20 0 GIADLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000026320922 820082843 /nfs/dbraw/zinc/08/28/43/820082843.db2.gz WWZGWYUCYNBUED-JOCHJYFZSA-N 1 2 388.467 4.285 20 0 GIADLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000026320922 820082854 /nfs/dbraw/zinc/08/28/54/820082854.db2.gz WWZGWYUCYNBUED-JOCHJYFZSA-N 1 2 388.467 4.285 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c(OC)c1 ZINC000026323598 820083626 /nfs/dbraw/zinc/08/36/26/820083626.db2.gz LLRVIUSYXXVZAG-OAHLLOKOSA-N 1 2 390.911 4.433 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c(OC)c1 ZINC000026323598 820083634 /nfs/dbraw/zinc/08/36/34/820083634.db2.gz LLRVIUSYXXVZAG-OAHLLOKOSA-N 1 2 390.911 4.433 20 0 GIADLO C[C@H]1CCc2sc(C(=O)N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2C1 ZINC000410291644 823451679 /nfs/dbraw/zinc/45/16/79/823451679.db2.gz QHBTYGJKHCBGRZ-HOTGVXAUSA-N 1 2 383.561 4.426 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(C(F)(F)F)nc3)n2)CC1 ZINC000026362556 820089425 /nfs/dbraw/zinc/08/94/25/820089425.db2.gz CIHLFAJVKVPNRD-UHFFFAOYSA-N 1 2 384.427 4.041 20 0 GIADLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]2C ZINC000189583509 823451903 /nfs/dbraw/zinc/45/19/03/823451903.db2.gz VLNNZBUFORPBGP-LBPRGKRZSA-N 1 2 396.322 4.114 20 0 GIADLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]2C ZINC000189583509 823451906 /nfs/dbraw/zinc/45/19/06/823451906.db2.gz VLNNZBUFORPBGP-LBPRGKRZSA-N 1 2 396.322 4.114 20 0 GIADLO O=C(CCCc1cc(F)ccc1F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292668 823452123 /nfs/dbraw/zinc/45/21/23/823452123.db2.gz YFPMIVAQOJYBHV-KRWDZBQOSA-N 1 2 387.474 4.227 20 0 GIADLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)[nH+]1 ZINC000026513350 820107146 /nfs/dbraw/zinc/10/71/46/820107146.db2.gz XUCNQVXHKOXQPQ-AWEZNQCLSA-N 1 2 380.473 4.279 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1)Nc1cc(F)ccc1F ZINC000026673276 820130759 /nfs/dbraw/zinc/13/07/59/820130759.db2.gz KEJFYFXWUHKFLJ-OAHLLOKOSA-N 1 2 380.822 4.100 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1)Nc1cc(F)ccc1F ZINC000026673276 820130763 /nfs/dbraw/zinc/13/07/63/820130763.db2.gz KEJFYFXWUHKFLJ-OAHLLOKOSA-N 1 2 380.822 4.100 20 0 GIADLO Cn1c(=S)n(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)nc1-c1ccncc1 ZINC000026690117 820132812 /nfs/dbraw/zinc/13/28/12/820132812.db2.gz FXPCOKNTUYCZPG-UHFFFAOYSA-N 1 2 383.565 4.119 20 0 GIADLO Cn1c(=S)n(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)nc1-c1ccncc1 ZINC000026690117 820132817 /nfs/dbraw/zinc/13/28/17/820132817.db2.gz FXPCOKNTUYCZPG-UHFFFAOYSA-N 1 2 383.565 4.119 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(C)C)n1CC(C)C ZINC000460612557 823456139 /nfs/dbraw/zinc/45/61/39/823456139.db2.gz DOUXTXGKSVFIKQ-UHFFFAOYSA-N 1 2 384.572 4.195 20 0 GIADLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000177414218 823456965 /nfs/dbraw/zinc/45/69/65/823456965.db2.gz WUCPKMLCWVXVTD-SCLBCKFNSA-N 1 2 385.851 4.030 20 0 GIADLO O=C(c1ccn(Cc2ccccc2)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410305056 823457709 /nfs/dbraw/zinc/45/77/09/823457709.db2.gz HVMZHGXGRNBEQA-FQEVSTJZSA-N 1 2 388.515 4.089 20 0 GIADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCCCCc2ccc(F)cc2)CC1 ZINC000189613755 823458243 /nfs/dbraw/zinc/45/82/43/823458243.db2.gz IOAXOFOGIVQJEG-IBGZPJMESA-N 1 2 383.511 4.229 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCCCCc2ccc(F)cc2)CC1 ZINC000189613772 823458269 /nfs/dbraw/zinc/45/82/69/823458269.db2.gz IOAXOFOGIVQJEG-LJQANCHMSA-N 1 2 383.511 4.229 20 0 GIADLO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2cc(F)cc(F)c2)c2ccccc2)cc1 ZINC000026996417 820176450 /nfs/dbraw/zinc/17/64/50/820176450.db2.gz MCLZQQZLLLCLFG-NRFANRHFSA-N 1 2 382.410 4.443 20 0 GIADLO CCn1cc(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c2ccccc21 ZINC000410309667 823458984 /nfs/dbraw/zinc/45/89/84/823458984.db2.gz ASTISPFREGHXFN-UHFFFAOYSA-N 1 2 390.531 4.296 20 0 GIADLO C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027289517 820221699 /nfs/dbraw/zinc/22/16/99/820221699.db2.gz ZANSAQHBGDHLET-UHFFFAOYSA-N 1 2 379.435 4.005 20 0 GIADLO C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027289517 820221706 /nfs/dbraw/zinc/22/17/06/820221706.db2.gz ZANSAQHBGDHLET-UHFFFAOYSA-N 1 2 379.435 4.005 20 0 GIADLO CCOc1cccc(S(=O)(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000410329053 823464746 /nfs/dbraw/zinc/46/47/46/823464746.db2.gz XBSGHCOUGUPUNA-UHFFFAOYSA-N 1 2 397.500 4.086 20 0 GIADLO C[C@@H]1CCN(C(=O)CCCOc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000123128662 823466927 /nfs/dbraw/zinc/46/69/27/823466927.db2.gz CGLJOXAVICZQDK-WIYYLYMNSA-N 1 2 377.488 4.305 20 0 GIADLO c1[nH+]cn(Cc2ccccc2)c1Cc1nc([C@H]2CSc3ccccc3O2)no1 ZINC000573255678 823471542 /nfs/dbraw/zinc/47/15/42/823471542.db2.gz DWHBOFZBWCSPPN-GOSISDBHSA-N 1 2 390.468 4.131 20 0 GIADLO COc1ccc2c(CC(=O)Nc3nc(C[N@@H+]4CCC[C@@H](C)C4)cs3)coc2c1 ZINC000028682298 820349696 /nfs/dbraw/zinc/34/96/96/820349696.db2.gz OCMBDVPWFYDVQA-CQSZACIVSA-N 1 2 399.516 4.311 20 0 GIADLO COc1ccc2c(CC(=O)Nc3nc(C[N@H+]4CCC[C@@H](C)C4)cs3)coc2c1 ZINC000028682298 820349706 /nfs/dbraw/zinc/34/97/06/820349706.db2.gz OCMBDVPWFYDVQA-CQSZACIVSA-N 1 2 399.516 4.311 20 0 GIADLO Cc1ccccc1SCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000028681837 820350074 /nfs/dbraw/zinc/35/00/74/820350074.db2.gz JPVZBTSWIJHMHC-CQSZACIVSA-N 1 2 375.563 4.414 20 0 GIADLO Cc1ccccc1SCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000028681837 820350084 /nfs/dbraw/zinc/35/00/84/820350084.db2.gz JPVZBTSWIJHMHC-CQSZACIVSA-N 1 2 375.563 4.414 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc4c(c(Cl)c3)OCO4)n2)C1 ZINC000028683732 820350713 /nfs/dbraw/zinc/35/07/13/820350713.db2.gz PQJCOYYMQQWJPK-NSHDSACASA-N 1 2 393.896 4.009 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc4c(c(Cl)c3)OCO4)n2)C1 ZINC000028683732 820350724 /nfs/dbraw/zinc/35/07/24/820350724.db2.gz PQJCOYYMQQWJPK-NSHDSACASA-N 1 2 393.896 4.009 20 0 GIADLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c2ccccc2n1 ZINC000028683482 820350785 /nfs/dbraw/zinc/35/07/85/820350785.db2.gz TYGSQXGLBTYCTG-CQSZACIVSA-N 1 2 380.517 4.484 20 0 GIADLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c2ccccc2n1 ZINC000028683482 820350792 /nfs/dbraw/zinc/35/07/92/820350792.db2.gz TYGSQXGLBTYCTG-CQSZACIVSA-N 1 2 380.517 4.484 20 0 GIADLO C[C@@H](NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccccc1Cl ZINC000028730964 820354214 /nfs/dbraw/zinc/35/42/14/820354214.db2.gz MRRHJYSELUZCOI-CVEARBPZSA-N 1 2 392.952 4.260 20 0 GIADLO C[C@@H](NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccccc1Cl ZINC000028730964 820354225 /nfs/dbraw/zinc/35/42/25/820354225.db2.gz MRRHJYSELUZCOI-CVEARBPZSA-N 1 2 392.952 4.260 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCCOc2ccc(Cl)cc2)c1C ZINC000058956777 823475698 /nfs/dbraw/zinc/47/56/98/823475698.db2.gz VLFWXRCPHDBBTR-UHFFFAOYSA-N 1 2 376.884 4.178 20 0 GIADLO COc1cc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c(OC)cc1Cl ZINC000029116426 820395693 /nfs/dbraw/zinc/39/56/93/820395693.db2.gz FIYMESLWIUMKSX-UHFFFAOYSA-N 1 2 392.858 4.099 20 0 GIADLO COc1cc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c(OC)cc1Cl ZINC000029116426 820395704 /nfs/dbraw/zinc/39/57/04/820395704.db2.gz FIYMESLWIUMKSX-UHFFFAOYSA-N 1 2 392.858 4.099 20 0 GIADLO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)s2)cc1 ZINC000029157900 820401942 /nfs/dbraw/zinc/40/19/42/820401942.db2.gz BWMZQIQBPYFRQG-GFCCVEGCSA-N 1 2 397.338 4.368 20 0 GIADLO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)s2)cc1 ZINC000029157900 820401946 /nfs/dbraw/zinc/40/19/46/820401946.db2.gz BWMZQIQBPYFRQG-GFCCVEGCSA-N 1 2 397.338 4.368 20 0 GIADLO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000029165662 820403543 /nfs/dbraw/zinc/40/35/43/820403543.db2.gz VTBBNCJEYJDGEG-UHFFFAOYSA-N 1 2 384.867 4.053 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCCc3nc4ccccc4[nH]3)n2)C1 ZINC000029258146 820420916 /nfs/dbraw/zinc/42/09/16/820420916.db2.gz SEJVLVVROZMRIL-HNNXBMFYSA-N 1 2 397.548 4.213 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCc3nc4ccccc4[nH]3)n2)C1 ZINC000029258146 820420923 /nfs/dbraw/zinc/42/09/23/820420923.db2.gz SEJVLVVROZMRIL-HNNXBMFYSA-N 1 2 397.548 4.213 20 0 GIADLO CC(C)C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000029338670 820439173 /nfs/dbraw/zinc/43/91/73/820439173.db2.gz VCARHHQIYWKCOL-HSZRJFAPSA-N 1 2 395.547 4.105 20 0 GIADLO C[N@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC000029485421 820462771 /nfs/dbraw/zinc/46/27/71/820462771.db2.gz GRXACASGKVLKJP-QGZVFWFLSA-N 1 2 384.328 4.386 20 0 GIADLO C[N@@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC000029485421 820462782 /nfs/dbraw/zinc/46/27/82/820462782.db2.gz GRXACASGKVLKJP-QGZVFWFLSA-N 1 2 384.328 4.386 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)c1nc(-c2cccnc2)no1 ZINC000123224165 823481390 /nfs/dbraw/zinc/48/13/90/823481390.db2.gz GWFPDYKTLWKCEL-NWDGAFQWSA-N 1 2 378.354 4.442 20 0 GIADLO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)n1 ZINC000189720870 823481817 /nfs/dbraw/zinc/48/18/17/823481817.db2.gz PTFWFIIFZWTROZ-ZWKOTPCHSA-N 1 2 376.863 4.058 20 0 GIADLO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)n1 ZINC000189720870 823481818 /nfs/dbraw/zinc/48/18/18/823481818.db2.gz PTFWFIIFZWTROZ-ZWKOTPCHSA-N 1 2 376.863 4.058 20 0 GIADLO CC(C)(C)c1ccc2cc(C(=O)N3CC[NH+](Cc4cccs4)CC3)[nH]c2c1 ZINC000029757144 820511055 /nfs/dbraw/zinc/51/10/55/820511055.db2.gz FSCAJLWMJSGCBU-UHFFFAOYSA-N 1 2 381.545 4.485 20 0 GIADLO COc1ccc(-c2nc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cs2)cc1 ZINC000029913709 820547423 /nfs/dbraw/zinc/54/74/23/820547423.db2.gz LPKKJHHFSROOHJ-UHFFFAOYSA-N 1 2 376.441 4.257 20 0 GIADLO CCc1onc(C)c1NC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189751158 823487967 /nfs/dbraw/zinc/48/79/67/823487967.db2.gz ZCSGWIYJSUZIBJ-CRAIPNDOSA-N 1 2 394.878 4.295 20 0 GIADLO CCc1onc(C)c1NC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189751158 823487969 /nfs/dbraw/zinc/48/79/69/823487969.db2.gz ZCSGWIYJSUZIBJ-CRAIPNDOSA-N 1 2 394.878 4.295 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3csc4c3CC[C@@H](C)C4)CC2)nc(C(C)C)[nH+]1 ZINC000029953586 820556489 /nfs/dbraw/zinc/55/64/89/820556489.db2.gz NSBVILLHXFXSGT-OAHLLOKOSA-N 1 2 398.576 4.057 20 0 GIADLO Cc1ccc(SCCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000030219339 820588867 /nfs/dbraw/zinc/58/88/67/820588867.db2.gz SJFYBHNQEBIXBU-UHFFFAOYSA-N 1 2 379.529 4.347 20 0 GIADLO O=C(COc1ccccc1-c1ccccc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030220785 820589268 /nfs/dbraw/zinc/58/92/68/820589268.db2.gz UWULKEKEZOOUER-UHFFFAOYSA-N 1 2 397.478 4.294 20 0 GIADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000059393406 823494933 /nfs/dbraw/zinc/49/49/33/823494933.db2.gz CJAWKAKIYLUQOM-IIDMSEBBSA-N 1 2 379.342 4.091 20 0 GIADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000059393406 823494938 /nfs/dbraw/zinc/49/49/38/823494938.db2.gz CJAWKAKIYLUQOM-IIDMSEBBSA-N 1 2 379.342 4.091 20 0 GIADLO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000030423978 820616282 /nfs/dbraw/zinc/61/62/82/820616282.db2.gz BRIWKHYMTCONCE-UHFFFAOYSA-N 1 2 391.540 4.000 20 0 GIADLO O=C(CCc1ccc(Cl)cc1Cl)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030610199 820650189 /nfs/dbraw/zinc/65/01/89/820650189.db2.gz KMAWHYRFIYZNSG-UHFFFAOYSA-N 1 2 378.303 4.238 20 0 GIADLO Cc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000123323791 823496122 /nfs/dbraw/zinc/49/61/22/823496122.db2.gz KZWMOPPGIRSZIP-LIRRHRJNSA-N 1 2 395.894 4.025 20 0 GIADLO Clc1cc(Cl)c2nc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)cn2c1 ZINC000177586412 823496664 /nfs/dbraw/zinc/49/66/64/823496664.db2.gz DQUBTBJOXMTHTG-KRWDZBQOSA-N 1 2 398.334 4.191 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000177588332 823497290 /nfs/dbraw/zinc/49/72/90/823497290.db2.gz CEPWYKAZQOUUEK-GUYCJALGSA-N 1 2 395.429 4.083 20 0 GIADLO CC(C)CCOCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000059738771 823497680 /nfs/dbraw/zinc/49/76/80/823497680.db2.gz KGIWSLXIEDJRBH-UHFFFAOYSA-N 1 2 388.581 4.408 20 0 GIADLO Cc1cccc2nc(C3CC[NH+]([C@@H](C)c4nc5ccccc5c(=O)[nH]4)CC3)oc21 ZINC000189815285 823500694 /nfs/dbraw/zinc/50/06/94/823500694.db2.gz UMDGDEUNBHENRY-HNNXBMFYSA-N 1 2 388.471 4.313 20 0 GIADLO Cc1cccc2nc(C3CC[NH+](Cc4nc(Cc5ccccc5)no4)CC3)oc21 ZINC000189805943 823498005 /nfs/dbraw/zinc/49/80/05/823498005.db2.gz DOQJCCUQPGRBFF-UHFFFAOYSA-N 1 2 388.471 4.490 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000410497479 823499736 /nfs/dbraw/zinc/49/97/36/823499736.db2.gz JLZYVHFOFXZTOI-UHFFFAOYSA-N 1 2 398.934 4.442 20 0 GIADLO Cc1ccc(-c2cc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)on2)cc1 ZINC000031227996 820774373 /nfs/dbraw/zinc/77/43/73/820774373.db2.gz BWZBSXCSQNXETA-UHFFFAOYSA-N 1 2 393.462 4.137 20 0 GIADLO Cc1ccc(-c2cc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)on2)cc1 ZINC000031227996 820774375 /nfs/dbraw/zinc/77/43/75/820774375.db2.gz BWZBSXCSQNXETA-UHFFFAOYSA-N 1 2 393.462 4.137 20 0 GIADLO CCc1nc2ccccc2n1Cc1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000460745903 823502874 /nfs/dbraw/zinc/50/28/74/823502874.db2.gz KYVDYKLTWLZCJH-FMIVXFBMSA-N 1 2 396.454 4.386 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000177656270 823508505 /nfs/dbraw/zinc/50/85/05/823508505.db2.gz KARQYQXXURJARG-IBGZPJMESA-N 1 2 395.547 4.349 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460776048 823508918 /nfs/dbraw/zinc/50/89/18/823508918.db2.gz VDALMRNULRSVCE-UHFFFAOYSA-N 1 2 391.437 4.019 20 0 GIADLO CC(=O)Nc1cccc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1C ZINC000189877104 823509073 /nfs/dbraw/zinc/50/90/73/823509073.db2.gz LQEYOEQXJPPXRF-UHFFFAOYSA-N 1 2 393.531 4.035 20 0 GIADLO Cc1ccccc1OCCCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000060127864 823509311 /nfs/dbraw/zinc/50/93/11/823509311.db2.gz DZHRNNUIVDHKTN-UHFFFAOYSA-N 1 2 379.460 4.068 20 0 GIADLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177668503 823511177 /nfs/dbraw/zinc/51/11/77/823511177.db2.gz LSGOFUVBFACFFT-SFHVURJKSA-N 1 2 398.413 4.016 20 0 GIADLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177668503 823511180 /nfs/dbraw/zinc/51/11/80/823511180.db2.gz LSGOFUVBFACFFT-SFHVURJKSA-N 1 2 398.413 4.016 20 0 GIADLO C[C@@H](c1nnc(SCc2nc3ccccc3o2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000032568488 820969771 /nfs/dbraw/zinc/96/97/71/820969771.db2.gz OBRTULJZFVCPEA-ZDUSSCGKSA-N 1 2 397.479 4.463 20 0 GIADLO CCn1nc(C(C)C)cc1C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000032700941 820994284 /nfs/dbraw/zinc/99/42/84/820994284.db2.gz WTOOINGREIHWSL-UHFFFAOYSA-N 1 2 382.552 4.108 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000177768701 823523371 /nfs/dbraw/zinc/52/33/71/823523371.db2.gz HEOILSQLSKEFEO-QGZVFWFLSA-N 1 2 399.292 4.144 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(F)cc1 ZINC000060442212 823528184 /nfs/dbraw/zinc/52/81/84/823528184.db2.gz PUSPONPENYQZTN-UHFFFAOYSA-N 1 2 381.451 4.154 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000123668712 823530194 /nfs/dbraw/zinc/53/01/94/823530194.db2.gz GXPAIYYLDYNPAW-KDOFPFPSSA-N 1 2 385.414 4.361 20 0 GIADLO Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1I ZINC000037296668 821091659 /nfs/dbraw/zinc/09/16/59/821091659.db2.gz LZPYOGQGGBIJFS-UHFFFAOYSA-N 1 2 393.272 4.076 20 0 GIADLO COc1ccc(OCC[N@H+](C)Cc2csc(COc3ccccc3)n2)cc1 ZINC000060464972 823530976 /nfs/dbraw/zinc/53/09/76/823530976.db2.gz GMGMMZGAHQQVQF-UHFFFAOYSA-N 1 2 384.501 4.242 20 0 GIADLO COc1ccc(OCC[N@@H+](C)Cc2csc(COc3ccccc3)n2)cc1 ZINC000060464972 823530980 /nfs/dbraw/zinc/53/09/80/823530980.db2.gz GMGMMZGAHQQVQF-UHFFFAOYSA-N 1 2 384.501 4.242 20 0 GIADLO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000060465004 823530995 /nfs/dbraw/zinc/53/09/95/823530995.db2.gz NFYHRFJGEJKZNP-GOSISDBHSA-N 1 2 385.939 4.274 20 0 GIADLO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000060466108 823531269 /nfs/dbraw/zinc/53/12/69/823531269.db2.gz JDRPXKXNAOJIPB-NRFANRHFSA-N 1 2 391.519 4.405 20 0 GIADLO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000060466108 823531273 /nfs/dbraw/zinc/53/12/73/823531273.db2.gz JDRPXKXNAOJIPB-NRFANRHFSA-N 1 2 391.519 4.405 20 0 GIADLO O=c1c(Cl)c(Cl)cnn1C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000123691719 823532105 /nfs/dbraw/zinc/53/21/05/823532105.db2.gz YMAFFRHIIUOLJZ-UHFFFAOYSA-N 1 2 388.298 4.253 20 0 GIADLO O=c1c(Cl)c(Cl)cnn1C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000123691719 823532108 /nfs/dbraw/zinc/53/21/08/823532108.db2.gz YMAFFRHIIUOLJZ-UHFFFAOYSA-N 1 2 388.298 4.253 20 0 GIADLO C[C@H](c1cccc(Cl)c1)[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000060478296 823532596 /nfs/dbraw/zinc/53/25/96/823532596.db2.gz YVNYDIVVRSUUPH-MRXNPFEDSA-N 1 2 381.907 4.269 20 0 GIADLO COCC1(CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)CCC1 ZINC000460869737 823532857 /nfs/dbraw/zinc/53/28/57/823532857.db2.gz QFJLSSGYFMADMP-AWEZNQCLSA-N 1 2 394.972 4.452 20 0 GIADLO CCc1ccccc1NC(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483401 823533326 /nfs/dbraw/zinc/53/33/26/823533326.db2.gz SJXJIEJFNOCJAX-UHFFFAOYSA-N 1 2 384.907 4.436 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)CC2)c1 ZINC000460872473 823533492 /nfs/dbraw/zinc/53/34/92/823533492.db2.gz ACFWIDZOTDELAX-DLBZAZTESA-N 1 2 386.923 4.358 20 0 GIADLO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000123742527 823536607 /nfs/dbraw/zinc/53/66/07/823536607.db2.gz RNCGELVUNIRYGT-KNQAVFIVSA-N 1 2 388.515 4.327 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000123744469 823536756 /nfs/dbraw/zinc/53/67/56/823536756.db2.gz FXKJIQKLCGAIHA-GOTSBHOMSA-N 1 2 388.515 4.142 20 0 GIADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1c(F)cccc1F ZINC000041941658 821248526 /nfs/dbraw/zinc/24/85/26/821248526.db2.gz PDLZWIZVJLWVCD-MRXNPFEDSA-N 1 2 382.813 4.324 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000042329345 821300852 /nfs/dbraw/zinc/30/08/52/821300852.db2.gz QQJWQIRHHLPLGM-INIZCTEOSA-N 1 2 384.520 4.288 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000042329345 821300861 /nfs/dbraw/zinc/30/08/61/821300861.db2.gz QQJWQIRHHLPLGM-INIZCTEOSA-N 1 2 384.520 4.288 20 0 GIADLO O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1-n1cc[nH+]c1 ZINC000043045742 821356627 /nfs/dbraw/zinc/35/66/27/821356627.db2.gz ZYUXAVUVNWGQGZ-UHFFFAOYSA-N 1 2 391.406 4.023 20 0 GIADLO CCc1cccc(C)c1NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000043156462 821369897 /nfs/dbraw/zinc/36/98/97/821369897.db2.gz GPENRZOKMAIQCC-UHFFFAOYSA-N 1 2 381.524 4.133 20 0 GIADLO CC[C@H]([NH2+]Cc1nc(-c2ccc(C)c(OC)c2)no1)c1ccc2c(c1)OCCO2 ZINC000180629702 821374966 /nfs/dbraw/zinc/37/49/66/821374966.db2.gz FFWIWHIBBUSGTD-KRWDZBQOSA-N 1 2 395.459 4.066 20 0 GIADLO CC[C@H]([NH2+][C@H](C)c1nc(-c2ccc(OC)cc2)no1)c1ccc2c(c1)OCCO2 ZINC000180633322 821376195 /nfs/dbraw/zinc/37/61/95/821376195.db2.gz PRQGAEKSPDRLQH-KDOFPFPSSA-N 1 2 395.459 4.318 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000043313409 821390536 /nfs/dbraw/zinc/39/05/36/821390536.db2.gz RIIINUUKYOALGU-UHFFFAOYSA-N 1 2 381.520 4.272 20 0 GIADLO Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(Br)c1 ZINC000043328354 821392618 /nfs/dbraw/zinc/39/26/18/821392618.db2.gz IKOZTKMPRCDFAS-UHFFFAOYSA-N 1 2 389.297 4.074 20 0 GIADLO CCc1cccc(CC)c1NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000043340683 821395057 /nfs/dbraw/zinc/39/50/57/821395057.db2.gz KXNLTEWTLJMXBD-UHFFFAOYSA-N 1 2 395.551 4.387 20 0 GIADLO CCCc1csc(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000180697147 821400611 /nfs/dbraw/zinc/40/06/11/821400611.db2.gz VVDPPAYNKJXACM-UHFFFAOYSA-N 1 2 387.553 4.261 20 0 GIADLO CCOc1ccc(Oc2ccccc2NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000043436387 821406875 /nfs/dbraw/zinc/40/68/75/821406875.db2.gz XXXUYZUQGRVRHT-UHFFFAOYSA-N 1 2 380.448 4.286 20 0 GIADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F)c1ccccc1 ZINC000180712088 821411332 /nfs/dbraw/zinc/41/13/32/821411332.db2.gz GQYFGWYNAWUBIK-VWNXMTODSA-N 1 2 392.474 4.212 20 0 GIADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccncc2)cc1F)c1ccccc1 ZINC000180712088 821411338 /nfs/dbraw/zinc/41/13/38/821411338.db2.gz GQYFGWYNAWUBIK-VWNXMTODSA-N 1 2 392.474 4.212 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccccc1SC(F)F ZINC000043552388 821426915 /nfs/dbraw/zinc/42/69/15/821426915.db2.gz DTXRHOGFYALGIA-UHFFFAOYSA-N 1 2 378.448 4.318 20 0 GIADLO CCC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)C1 ZINC000180778428 821451898 /nfs/dbraw/zinc/45/18/98/821451898.db2.gz CFFBRUCYSNPEET-VLIAUNLRSA-N 1 2 378.850 4.308 20 0 GIADLO CCOc1c(Cl)cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1OC ZINC000180791065 821459972 /nfs/dbraw/zinc/45/99/72/821459972.db2.gz WWGSYXQESHRIDG-UHFFFAOYSA-N 1 2 391.821 4.132 20 0 GIADLO CCOc1c(Cl)cc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1OC ZINC000180791065 821459979 /nfs/dbraw/zinc/45/99/79/821459979.db2.gz WWGSYXQESHRIDG-UHFFFAOYSA-N 1 2 391.821 4.132 20 0 GIADLO Cc1noc([C@H](C)Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)n1 ZINC000043835154 821468326 /nfs/dbraw/zinc/46/83/26/821468326.db2.gz RLQORARCDFQNNC-MNOVXSKESA-N 1 2 392.916 4.088 20 0 GIADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000180810399 821472324 /nfs/dbraw/zinc/47/23/24/821472324.db2.gz WCGCWZLLGBBISH-OAHLLOKOSA-N 1 2 394.500 4.027 20 0 GIADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000180810399 821472330 /nfs/dbraw/zinc/47/23/30/821472330.db2.gz WCGCWZLLGBBISH-OAHLLOKOSA-N 1 2 394.500 4.027 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccccc1OC(F)(F)F ZINC000043878931 821482605 /nfs/dbraw/zinc/48/26/05/821482605.db2.gz ILSPTXYIRFXVDE-UHFFFAOYSA-N 1 2 390.365 4.152 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2sccc2Br)c2cccc(F)c2)cn1 ZINC000180841406 821490004 /nfs/dbraw/zinc/49/00/04/821490004.db2.gz IPLJLJQEAAPRTH-INIZCTEOSA-N 1 2 380.286 4.262 20 0 GIADLO C[C@H](c1nnc(SC[C@@H]2CCCCO2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000043940151 821492096 /nfs/dbraw/zinc/49/20/96/821492096.db2.gz WVSXHJKFOAQJFF-MJGOQNOKSA-N 1 2 386.565 4.475 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)c(Br)c1 ZINC000044438023 821586508 /nfs/dbraw/zinc/58/65/08/821586508.db2.gz XHEVIQIAQPKIPC-UHFFFAOYSA-N 1 2 383.236 4.106 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)c(Br)c1 ZINC000044438023 821586513 /nfs/dbraw/zinc/58/65/13/821586513.db2.gz XHEVIQIAQPKIPC-UHFFFAOYSA-N 1 2 383.236 4.106 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cncc(Br)c1 ZINC000044567566 821609685 /nfs/dbraw/zinc/60/96/85/821609685.db2.gz GUSPBHRAAQGHCB-UHFFFAOYSA-N 1 2 397.276 4.296 20 0 GIADLO Cc1c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cnn1-c1ccccn1 ZINC000044568108 821610491 /nfs/dbraw/zinc/61/04/91/821610491.db2.gz UWCZNTKVDGLGLF-UHFFFAOYSA-N 1 2 398.470 4.028 20 0 GIADLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(Cl)cn2)c2ccccc2)c1 ZINC000181062464 821615082 /nfs/dbraw/zinc/61/50/82/821615082.db2.gz ADOCBNOKSMVCMJ-FQEVSTJZSA-N 1 2 386.904 4.018 20 0 GIADLO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000181103850 821634375 /nfs/dbraw/zinc/63/43/75/821634375.db2.gz YFQPPGDYFVHULD-UHFFFAOYSA-N 1 2 399.445 4.159 20 0 GIADLO CCOc1ccc(-c2noc(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)n2)cc1 ZINC000044871094 821674204 /nfs/dbraw/zinc/67/42/04/821674204.db2.gz WVMHCOMIJXJWNK-SFHVURJKSA-N 1 2 399.516 4.378 20 0 GIADLO CCOc1ccc(-c2noc(C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)n2)cc1 ZINC000044871094 821674206 /nfs/dbraw/zinc/67/42/06/821674206.db2.gz WVMHCOMIJXJWNK-SFHVURJKSA-N 1 2 399.516 4.378 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@H+](Cc2cccs2)C2CC2)cc1Cl ZINC000044898206 821678298 /nfs/dbraw/zinc/67/82/98/821678298.db2.gz GFHTZOVXIIQKFB-UHFFFAOYSA-N 1 2 380.897 4.022 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@@H+](Cc2cccs2)C2CC2)cc1Cl ZINC000044898206 821678303 /nfs/dbraw/zinc/67/83/03/821678303.db2.gz GFHTZOVXIIQKFB-UHFFFAOYSA-N 1 2 380.897 4.022 20 0 GIADLO CN(Cc1ccc(Br)s1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044905098 821679090 /nfs/dbraw/zinc/67/90/90/821679090.db2.gz MDLSMTYEFJWNBK-UHFFFAOYSA-N 1 2 390.306 4.028 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)o1 ZINC000181191925 821687640 /nfs/dbraw/zinc/68/76/40/821687640.db2.gz IWVDJVCBFPQYCA-NQIIRXRSSA-N 1 2 377.488 4.226 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)o2)cc1 ZINC000181285728 821735131 /nfs/dbraw/zinc/73/51/31/821735131.db2.gz RVVVBOMUXRJSBO-HZPDHXFCSA-N 1 2 392.459 4.413 20 0 GIADLO Cc1nnc(C[NH2+][C@@H](COc2c(C)cccc2C)c2ccccc2)n1C1CC1 ZINC000181380142 821796021 /nfs/dbraw/zinc/79/60/21/821796021.db2.gz QDUPGBCBZAVCON-NRFANRHFSA-N 1 2 376.504 4.448 20 0 GIADLO CC[C@H](C(=O)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1)c1ccccc1 ZINC000181383686 821798072 /nfs/dbraw/zinc/79/80/72/821798072.db2.gz KZCOXCQNRAKZKL-IBGZPJMESA-N 1 2 386.923 4.320 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1cccc(N2CCCC2=O)c1 ZINC000181435798 821826546 /nfs/dbraw/zinc/82/65/46/821826546.db2.gz KRQKGIDPBBYSJP-AWEZNQCLSA-N 1 2 396.878 4.368 20 0 GIADLO COC[C@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)c1ccc(F)c(F)c1 ZINC000181440791 821827978 /nfs/dbraw/zinc/82/79/78/821827978.db2.gz VEQWTPUMANJUSQ-INIZCTEOSA-N 1 2 386.229 4.397 20 0 GIADLO Clc1ccccc1OC[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181517442 821863487 /nfs/dbraw/zinc/86/34/87/821863487.db2.gz GHLYFUNJQFXFMN-OAHLLOKOSA-N 1 2 386.927 4.435 20 0 GIADLO Clc1ccccc1OC[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181517442 821863497 /nfs/dbraw/zinc/86/34/97/821863497.db2.gz GHLYFUNJQFXFMN-OAHLLOKOSA-N 1 2 386.927 4.435 20 0 GIADLO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@@H](C)c3cccc(O)c3)cs2)cc1 ZINC000181547262 821875847 /nfs/dbraw/zinc/87/58/47/821875847.db2.gz TZRVRJCSNYWEIY-HNNXBMFYSA-N 1 2 381.501 4.189 20 0 GIADLO CC(=O)Nc1nc(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)cs1 ZINC000181588530 821892096 /nfs/dbraw/zinc/89/20/96/821892096.db2.gz ROUZGLIWNUSSFD-LJQANCHMSA-N 1 2 387.455 4.453 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181591952 821894171 /nfs/dbraw/zinc/89/41/71/821894171.db2.gz NPGSWNQFMAVJHR-MRXNPFEDSA-N 1 2 395.482 4.058 20 0 GIADLO C[C@H]([NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1)c1ccc(F)c(F)c1 ZINC000181632500 821913767 /nfs/dbraw/zinc/91/37/67/821913767.db2.gz OCBKVROKRDCPBM-ZDUSSCGKSA-N 1 2 387.455 4.453 20 0 GIADLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)CCN1 ZINC000181672370 821937174 /nfs/dbraw/zinc/93/71/74/821937174.db2.gz BIZSWIJNZQPRDJ-GOSISDBHSA-N 1 2 399.466 4.152 20 0 GIADLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)CCN1 ZINC000181672370 821937179 /nfs/dbraw/zinc/93/71/79/821937179.db2.gz BIZSWIJNZQPRDJ-GOSISDBHSA-N 1 2 399.466 4.152 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000181682125 821942006 /nfs/dbraw/zinc/94/20/06/821942006.db2.gz MCNRZCSEZQFFNP-MRXNPFEDSA-N 1 2 389.503 4.186 20 0 GIADLO CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)c3nnnn3-c3ccccc3)oc21 ZINC000181757175 821979283 /nfs/dbraw/zinc/97/92/83/821979283.db2.gz UDHPLSBFZRQKJD-LSDHHAIUSA-N 1 2 377.448 4.219 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)n1 ZINC000181861419 822019397 /nfs/dbraw/zinc/01/93/97/822019397.db2.gz RZBLZFJRXGWSRI-SFHVURJKSA-N 1 2 376.504 4.420 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)o1 ZINC000181861835 822019825 /nfs/dbraw/zinc/01/98/25/822019825.db2.gz QTTAGIDJDNOFJR-GOSISDBHSA-N 1 2 376.504 4.420 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(F)c(Cl)c2F)C[C@@H](C)O1 ZINC000181890511 822028165 /nfs/dbraw/zinc/02/81/65/822028165.db2.gz UJOSPKZSECDXHK-CHWSQXEVSA-N 1 2 394.849 4.480 20 0 GIADLO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000181980793 822051572 /nfs/dbraw/zinc/05/15/72/822051572.db2.gz PPTDTEVJGUEVGJ-YWZLYKJASA-N 1 2 389.496 4.061 20 0 GIADLO Clc1cnc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(Cl)c1 ZINC000182030396 822067888 /nfs/dbraw/zinc/06/78/88/822067888.db2.gz VNLMKGZOIAOOKE-CYBMUJFWSA-N 1 2 380.323 4.086 20 0 GIADLO Clc1cnc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(Cl)c1 ZINC000182030396 822067891 /nfs/dbraw/zinc/06/78/91/822067891.db2.gz VNLMKGZOIAOOKE-CYBMUJFWSA-N 1 2 380.323 4.086 20 0 GIADLO CN(C)C(=O)CC1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000182233579 822159284 /nfs/dbraw/zinc/15/92/84/822159284.db2.gz QLIHXIAGMNIHIQ-UHFFFAOYSA-N 1 2 391.968 4.078 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccn1C1CCCC1 ZINC000182238929 822162250 /nfs/dbraw/zinc/16/22/50/822162250.db2.gz OUDXWRQMZJVBOZ-UHFFFAOYSA-N 1 2 380.536 4.377 20 0 GIADLO CC[C@H]([NH2+]Cc1csc(-c2ccc(C(=O)OC)cc2)n1)c1c(C)noc1C ZINC000182397520 822228797 /nfs/dbraw/zinc/22/87/97/822228797.db2.gz DKDRBEJTUMEPGP-KRWDZBQOSA-N 1 2 385.489 4.442 20 0 GIADLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(O)ccc12 ZINC000182438004 822242865 /nfs/dbraw/zinc/24/28/65/822242865.db2.gz DFDTWVPPTPJWTJ-HXUWFJFHSA-N 1 2 389.455 4.205 20 0 GIADLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(=O)oc2cc(O)ccc12 ZINC000182438004 822242871 /nfs/dbraw/zinc/24/28/71/822242871.db2.gz DFDTWVPPTPJWTJ-HXUWFJFHSA-N 1 2 389.455 4.205 20 0 GIADLO CC[N@H+](Cc1nc(COC)no1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000182463625 822252973 /nfs/dbraw/zinc/25/29/73/822252973.db2.gz YNPQIWVRBJVABI-INIZCTEOSA-N 1 2 381.476 4.475 20 0 GIADLO CC[N@@H+](Cc1nc(COC)no1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000182463625 822252978 /nfs/dbraw/zinc/25/29/78/822252978.db2.gz YNPQIWVRBJVABI-INIZCTEOSA-N 1 2 381.476 4.475 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1)Nc1ccccc1C(F)(F)F ZINC000177959376 822257770 /nfs/dbraw/zinc/25/77/70/822257770.db2.gz VQEUIVJEVFIYQX-SFHVURJKSA-N 1 2 396.384 4.247 20 0 GIADLO O=C(CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1)Nc1ccccc1C(F)(F)F ZINC000177959376 822257776 /nfs/dbraw/zinc/25/77/76/822257776.db2.gz VQEUIVJEVFIYQX-SFHVURJKSA-N 1 2 396.384 4.247 20 0 GIADLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)c1 ZINC000182556826 822300997 /nfs/dbraw/zinc/30/09/97/822300997.db2.gz YMFTWNFMQIEVAU-NEPJUHHUSA-N 1 2 383.521 4.261 20 0 GIADLO COC(=O)c1occc1C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182565702 822305957 /nfs/dbraw/zinc/30/59/57/822305957.db2.gz OSQWIJRZDMIJSP-OAHLLOKOSA-N 1 2 378.428 4.169 20 0 GIADLO Cc1ccccc1-c1nc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)no1 ZINC000178087637 822314222 /nfs/dbraw/zinc/31/42/22/822314222.db2.gz VYTNKAQWCCTZML-UHFFFAOYSA-N 1 2 391.471 4.375 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)nnn1-c1ccc(F)cc1 ZINC000178122715 822326221 /nfs/dbraw/zinc/32/62/21/822326221.db2.gz IHVKBOKWKOXRCA-GJULWVSJSA-N 1 2 380.467 4.286 20 0 GIADLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)cc1OCC ZINC000178139379 822330444 /nfs/dbraw/zinc/33/04/44/822330444.db2.gz VEWKTQQIGWVMGP-HUUCEWRRSA-N 1 2 382.464 4.341 20 0 GIADLO Cn1ccc2ccc(NC(=O)N[C@@H]3c4ccccc4CC[C@H]3n3cc[nH+]c3)cc21 ZINC000178174282 822341954 /nfs/dbraw/zinc/34/19/54/822341954.db2.gz DSXNSJUUCOCKOW-IFMALSPDSA-N 1 2 385.471 4.425 20 0 GIADLO Cn1ccc2ccc(NC(=O)N[C@H]3c4ccccc4CC[C@H]3n3cc[nH+]c3)cc21 ZINC000178174293 822341977 /nfs/dbraw/zinc/34/19/77/822341977.db2.gz DSXNSJUUCOCKOW-IRLDBZIGSA-N 1 2 385.471 4.425 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000178360195 822371089 /nfs/dbraw/zinc/37/10/89/822371089.db2.gz QYZYZMCASTVZSK-NRFANRHFSA-N 1 2 393.393 4.049 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(Br)c1Cl ZINC000182809858 822371193 /nfs/dbraw/zinc/37/11/93/822371193.db2.gz FRDKELOJUIAHTC-UHFFFAOYSA-N 1 2 394.700 4.028 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2csc([C@H](C)OC)n2)cc1Br ZINC000178365817 822371761 /nfs/dbraw/zinc/37/17/61/822371761.db2.gz SAUNOAYXDNEYBY-QWRGUYRKSA-N 1 2 385.327 4.472 20 0 GIADLO CCn1ccnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1ccsc1 ZINC000178371273 822372099 /nfs/dbraw/zinc/37/20/99/822372099.db2.gz CYZWLYRRYDGQOR-UHFFFAOYSA-N 1 2 385.533 4.227 20 0 GIADLO CCn1ccnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1ccsc1 ZINC000178371273 822372101 /nfs/dbraw/zinc/37/21/01/822372101.db2.gz CYZWLYRRYDGQOR-UHFFFAOYSA-N 1 2 385.533 4.227 20 0 GIADLO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182825439 822373476 /nfs/dbraw/zinc/37/34/76/822373476.db2.gz UWIVFDIDEBJOGF-RYUDHWBXSA-N 1 2 397.426 4.412 20 0 GIADLO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182825439 822373480 /nfs/dbraw/zinc/37/34/80/822373480.db2.gz UWIVFDIDEBJOGF-RYUDHWBXSA-N 1 2 397.426 4.412 20 0 GIADLO Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)n1[C@H](C)c1ccccc1 ZINC000045270840 822375107 /nfs/dbraw/zinc/37/51/07/822375107.db2.gz DXBZZUNDFVUAJM-LJQANCHMSA-N 1 2 388.515 4.072 20 0 GIADLO CCN(Cc1ccccc1C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532215 822394298 /nfs/dbraw/zinc/39/42/98/822394298.db2.gz XSCRWOSYDQKGHO-UHFFFAOYSA-N 1 2 376.504 4.014 20 0 GIADLO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)cc(OC)c1 ZINC000453620488 822394433 /nfs/dbraw/zinc/39/44/33/822394433.db2.gz XYYFASRRFBALJW-SFHVURJKSA-N 1 2 377.282 4.198 20 0 GIADLO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)cc(OC)c1 ZINC000453620488 822394438 /nfs/dbraw/zinc/39/44/38/822394438.db2.gz XYYFASRRFBALJW-SFHVURJKSA-N 1 2 377.282 4.198 20 0 GIADLO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000178693587 822403418 /nfs/dbraw/zinc/40/34/18/822403418.db2.gz TWYFBXUXLSTRJG-MRXNPFEDSA-N 1 2 383.521 4.108 20 0 GIADLO CC(C)C[N@H+](Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S)C1CC1 ZINC000045722186 822408304 /nfs/dbraw/zinc/40/83/04/822408304.db2.gz UQBZHLQMCZPRIG-UHFFFAOYSA-N 1 2 383.521 4.195 20 0 GIADLO CC(C)C[N@@H+](Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S)C1CC1 ZINC000045722186 822408309 /nfs/dbraw/zinc/40/83/09/822408309.db2.gz UQBZHLQMCZPRIG-UHFFFAOYSA-N 1 2 383.521 4.195 20 0 GIADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178803664 822412024 /nfs/dbraw/zinc/41/20/24/822412024.db2.gz GKXKXCHFXIFPQO-OQRWROFFSA-N 1 2 380.513 4.036 20 0 GIADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178803664 822412027 /nfs/dbraw/zinc/41/20/27/822412027.db2.gz GKXKXCHFXIFPQO-OQRWROFFSA-N 1 2 380.513 4.036 20 0 GIADLO Clc1ccccc1C[N@H+](Cc1cn(Cc2cccnc2)nn1)C1CCCC1 ZINC000183049073 822417514 /nfs/dbraw/zinc/41/75/14/822417514.db2.gz ZDHLQJINUVYAIK-UHFFFAOYSA-N 1 2 381.911 4.320 20 0 GIADLO Clc1ccccc1C[N@@H+](Cc1cn(Cc2cccnc2)nn1)C1CCCC1 ZINC000183049073 822417517 /nfs/dbraw/zinc/41/75/17/822417517.db2.gz ZDHLQJINUVYAIK-UHFFFAOYSA-N 1 2 381.911 4.320 20 0 GIADLO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000183065966 822419578 /nfs/dbraw/zinc/41/95/78/822419578.db2.gz ZERZOUCESYQRRA-LSDHHAIUSA-N 1 2 385.439 4.346 20 0 GIADLO C[S@@](=O)C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)c1ccccc1 ZINC000183098985 822424259 /nfs/dbraw/zinc/42/42/59/822424259.db2.gz PFVHYCGTAKXJOY-PVPMGCCUSA-N 1 2 382.407 4.056 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000178993838 822427372 /nfs/dbraw/zinc/42/73/72/822427372.db2.gz CTCNZMFZUNVAJC-SNVBAGLBSA-N 1 2 381.329 4.467 20 0 GIADLO O=C(Nc1cccc(OC2CCCC2)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046006890 822433767 /nfs/dbraw/zinc/43/37/67/822433767.db2.gz OFRTXEJCFYGZRC-UHFFFAOYSA-N 1 2 380.492 4.194 20 0 GIADLO CC[C@@H](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC)cc1 ZINC000179067429 822434993 /nfs/dbraw/zinc/43/49/93/822434993.db2.gz YMCDBBPBABFQEH-FQEVSTJZSA-N 1 2 377.488 4.140 20 0 GIADLO CC(C)Oc1ccc([C@H](C)NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000046019368 822435326 /nfs/dbraw/zinc/43/53/26/822435326.db2.gz RDEMZXOMHVOYDD-SFHVURJKSA-N 1 2 392.503 4.279 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000046018939 822435382 /nfs/dbraw/zinc/43/53/82/822435382.db2.gz XESDQRXKUGBEAB-NRFANRHFSA-N 1 2 378.451 4.117 20 0 GIADLO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454232079 822441556 /nfs/dbraw/zinc/44/15/56/822441556.db2.gz ZENZCMNXFZJPEY-JOCHJYFZSA-N 1 2 392.478 4.426 20 0 GIADLO COc1cc2c(cc1C[NH2+][C@@H](C)c1ncc(Br)s1)O[C@@H](C)C2 ZINC000179200685 822449950 /nfs/dbraw/zinc/44/99/50/822449950.db2.gz VOBHYKBTUGOTTA-UWVGGRQHSA-N 1 2 383.311 4.088 20 0 GIADLO Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3ncc(Br)s3)C2=O)cc1 ZINC000179234587 822455058 /nfs/dbraw/zinc/45/50/58/822455058.db2.gz WSMCMGVIQNFVMH-OCCSQVGLSA-N 1 2 394.338 4.060 20 0 GIADLO C[C@H](c1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1)C(F)(F)F ZINC000454322068 822457827 /nfs/dbraw/zinc/45/78/27/822457827.db2.gz JMEXKEBFJKQWCZ-OAHLLOKOSA-N 1 2 392.421 4.437 20 0 GIADLO Cn1ccnc1[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000183317001 822458314 /nfs/dbraw/zinc/45/83/14/822458314.db2.gz KTZXSSYJQZMFNH-CQSZACIVSA-N 1 2 386.240 4.025 20 0 GIADLO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454329089 822458694 /nfs/dbraw/zinc/45/86/94/822458694.db2.gz SYOKQCGZBJFVGH-QFIPXVFZSA-N 1 2 392.478 4.426 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cnn1C ZINC000183339425 822460906 /nfs/dbraw/zinc/46/09/06/822460906.db2.gz MMLORTRTQWOLDF-VGSWGCGISA-N 1 2 376.504 4.376 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1csc([C@H]2CCCO2)n1 ZINC000179302871 822463038 /nfs/dbraw/zinc/46/30/38/822463038.db2.gz MDCTZCFFGLQILX-GOSISDBHSA-N 1 2 394.500 4.447 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454371528 822463985 /nfs/dbraw/zinc/46/39/85/822463985.db2.gz IMGRJHRKINSDDJ-HOCLYGCPSA-N 1 2 380.414 4.183 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cnc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000046344725 822464102 /nfs/dbraw/zinc/46/41/02/822464102.db2.gz XHGSZBAOSPDBIF-BETUJISGSA-N 1 2 394.302 4.250 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cnc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000046344725 822464101 /nfs/dbraw/zinc/46/41/01/822464101.db2.gz XHGSZBAOSPDBIF-BETUJISGSA-N 1 2 394.302 4.250 20 0 GIADLO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000179320191 822465654 /nfs/dbraw/zinc/46/56/54/822465654.db2.gz KWQJIBCMVIANLG-FDDCHVKYSA-N 1 2 388.515 4.097 20 0 GIADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2nc3ccccc3n2C(F)F)cc1OC ZINC000183435060 822474466 /nfs/dbraw/zinc/47/44/66/822474466.db2.gz MECTWGLZSHKIGN-LLVKDONJSA-N 1 2 379.382 4.439 20 0 GIADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H]1CF ZINC000454458248 822478936 /nfs/dbraw/zinc/47/89/36/822478936.db2.gz PAVRDUXDJXDVOG-OAQYLSRUSA-N 1 2 392.478 4.242 20 0 GIADLO Fc1cccc(F)c1-c1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)o1 ZINC000179453095 822485160 /nfs/dbraw/zinc/48/51/60/822485160.db2.gz NGMQUDBLZUONLU-UHFFFAOYSA-N 1 2 385.414 4.064 20 0 GIADLO C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000454580266 822500423 /nfs/dbraw/zinc/50/04/23/822500423.db2.gz OBNKEOBAYJLWDQ-IJEWVQPXSA-N 1 2 380.414 4.306 20 0 GIADLO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000454580264 822500430 /nfs/dbraw/zinc/50/04/30/822500430.db2.gz OBNKEOBAYJLWDQ-DZKIICNBSA-N 1 2 380.414 4.306 20 0 GIADLO C[C@@H](NC(=O)N1CC2(CCC2)[C@H]1c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000454586699 822501516 /nfs/dbraw/zinc/50/15/16/822501516.db2.gz TXTFNNPOBKEBEV-OXQOHEQNSA-N 1 2 376.460 4.463 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(OC(F)F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179550138 822501605 /nfs/dbraw/zinc/50/16/05/822501605.db2.gz NZIGNVNYTOVFEY-SJORKVTESA-N 1 2 397.372 4.133 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(OC(F)F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179550138 822501608 /nfs/dbraw/zinc/50/16/08/822501608.db2.gz NZIGNVNYTOVFEY-SJORKVTESA-N 1 2 397.372 4.133 20 0 GIADLO O=C1CCCN1C[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000179554130 822502615 /nfs/dbraw/zinc/50/26/15/822502615.db2.gz GVBYQSRFNHEOBR-FQEVSTJZSA-N 1 2 397.425 4.073 20 0 GIADLO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000183627325 822503243 /nfs/dbraw/zinc/50/32/43/822503243.db2.gz AEUZLAKGVHJQCL-CYBMUJFWSA-N 1 2 399.401 4.169 20 0 GIADLO Cc1cccc(C(C)(C)[NH2+]Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c1 ZINC000179593603 822508825 /nfs/dbraw/zinc/50/88/25/822508825.db2.gz JBKRBDXRKJASOF-UHFFFAOYSA-N 1 2 388.512 4.163 20 0 GIADLO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)c1 ZINC000046813513 822520243 /nfs/dbraw/zinc/52/02/43/822520243.db2.gz CPEWHFFZYLPLTH-UHFFFAOYSA-N 1 2 382.489 4.092 20 0 GIADLO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC000179673075 822524330 /nfs/dbraw/zinc/52/43/30/822524330.db2.gz NIOPZUMKNCXYJN-LJQANCHMSA-N 1 2 399.922 4.473 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 ZINC000183763703 822524417 /nfs/dbraw/zinc/52/44/17/822524417.db2.gz YJOFZJKURUJLSI-CQSZACIVSA-N 1 2 387.505 4.166 20 0 GIADLO COc1c(C)cnc(C[N@H+](C)Cc2ccccc2OCc2cccnc2)c1C ZINC000183781091 822527650 /nfs/dbraw/zinc/52/76/50/822527650.db2.gz RXMIHBFQQKOLDK-UHFFFAOYSA-N 1 2 377.488 4.313 20 0 GIADLO COc1c(C)cnc(C[N@@H+](C)Cc2ccccc2OCc2cccnc2)c1C ZINC000183781091 822527653 /nfs/dbraw/zinc/52/76/53/822527653.db2.gz RXMIHBFQQKOLDK-UHFFFAOYSA-N 1 2 377.488 4.313 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc(OCc2ccccn2)c1 ZINC000179689750 822528007 /nfs/dbraw/zinc/52/80/07/822528007.db2.gz VGWQVDYLAQZEPC-HNNXBMFYSA-N 1 2 376.416 4.154 20 0 GIADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183824673 822532613 /nfs/dbraw/zinc/53/26/13/822532613.db2.gz JFVUYPZHBYSTGQ-LBPRGKRZSA-N 1 2 392.297 4.314 20 0 GIADLO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](c1cccc(F)c1)c1ccccn1 ZINC000183829214 822533293 /nfs/dbraw/zinc/53/32/93/822533293.db2.gz BLFJBPLDMUMUMA-QMHKHESXSA-N 1 2 394.446 4.213 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(Cl)s2)C[C@@H](C)O1 ZINC000046996321 822536502 /nfs/dbraw/zinc/53/65/02/822536502.db2.gz ZVCXKRTVCSTEHB-ZIAGYGMSSA-N 1 2 393.940 4.332 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@H](O)c3ccc(Cl)cc3)n2)C1 ZINC000179729450 822536796 /nfs/dbraw/zinc/53/67/96/822536796.db2.gz GPXUPGFNVVGOND-DYVFJYSZSA-N 1 2 393.940 4.091 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@H](O)c3ccc(Cl)cc3)n2)C1 ZINC000179729450 822536799 /nfs/dbraw/zinc/53/67/99/822536799.db2.gz GPXUPGFNVVGOND-DYVFJYSZSA-N 1 2 393.940 4.091 20 0 GIADLO Cc1ccn(-c2ccc(C(=O)Nc3nc(C[N@H+]4CCC[C@H](C)C4)cs3)cc2)n1 ZINC000047073111 822542133 /nfs/dbraw/zinc/54/21/33/822542133.db2.gz HAQYOQFGUHDVIA-HNNXBMFYSA-N 1 2 395.532 4.121 20 0 GIADLO Cc1ccn(-c2ccc(C(=O)Nc3nc(C[N@@H+]4CCC[C@H](C)C4)cs3)cc2)n1 ZINC000047073111 822542136 /nfs/dbraw/zinc/54/21/36/822542136.db2.gz HAQYOQFGUHDVIA-HNNXBMFYSA-N 1 2 395.532 4.121 20 0 GIADLO CC(C)CO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000179768479 822548712 /nfs/dbraw/zinc/54/87/12/822548712.db2.gz OCWXJCXTDSWAQJ-HUUCEWRRSA-N 1 2 386.496 4.003 20 0 GIADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2nc(-c3cccs3)cs2)s1 ZINC000183940894 822550964 /nfs/dbraw/zinc/55/09/64/822550964.db2.gz JIABVDAGSDSEEB-UHFFFAOYSA-N 1 2 378.548 4.100 20 0 GIADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c(Cl)n1 ZINC000047271206 822560301 /nfs/dbraw/zinc/56/03/01/822560301.db2.gz QMMFLBDAEVNWNB-UHFFFAOYSA-N 1 2 397.828 4.020 20 0 GIADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)on1 ZINC000047273502 822560637 /nfs/dbraw/zinc/56/06/37/822560637.db2.gz DAUIJITYWLDWOK-LRDDRELGSA-N 1 2 382.291 4.304 20 0 GIADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)on1 ZINC000047273502 822560640 /nfs/dbraw/zinc/56/06/40/822560640.db2.gz DAUIJITYWLDWOK-LRDDRELGSA-N 1 2 382.291 4.304 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)cc1 ZINC000179881213 822570807 /nfs/dbraw/zinc/57/08/07/822570807.db2.gz RQLVQBGNMFYCAY-UHFFFAOYSA-N 1 2 375.472 4.180 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000179881213 822570810 /nfs/dbraw/zinc/57/08/10/822570810.db2.gz RQLVQBGNMFYCAY-UHFFFAOYSA-N 1 2 375.472 4.180 20 0 GIADLO O=C1Nc2ccccc2C12CCC(Nc1ccc(N3CCCCC3)c[nH+]1)CC2 ZINC000179918862 822577086 /nfs/dbraw/zinc/57/70/86/822577086.db2.gz HANCTNYZGOMNQZ-UHFFFAOYSA-N 1 2 376.504 4.317 20 0 GIADLO CCS(=O)(=O)Nc1ccc([C@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)cc1 ZINC000179919106 822577099 /nfs/dbraw/zinc/57/70/99/822577099.db2.gz CPADQIDRHKHLRP-INIZCTEOSA-N 1 2 388.537 4.007 20 0 GIADLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1Br ZINC000179929787 822578939 /nfs/dbraw/zinc/57/89/39/822578939.db2.gz NKMVWYZINIYYQD-NSHDSACASA-N 1 2 398.272 4.465 20 0 GIADLO C[C@@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)Cc1ccc(Cl)cc1 ZINC000179937303 822580785 /nfs/dbraw/zinc/58/07/85/822580785.db2.gz QFYCTVHFYRXCAJ-MSOLQXFVSA-N 1 2 385.939 4.209 20 0 GIADLO Cc1cc(C)c(CC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c(C)c1 ZINC000179945338 822582673 /nfs/dbraw/zinc/58/26/73/822582673.db2.gz SEUCLRZTUBQYLZ-UHFFFAOYSA-N 1 2 379.548 4.006 20 0 GIADLO Cn1cc([C@@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)c2cccc(F)c2)cn1 ZINC000179980032 822589660 /nfs/dbraw/zinc/58/96/60/822589660.db2.gz HROWFEAYTWSDKA-IRLDBZIGSA-N 1 2 382.483 4.058 20 0 GIADLO CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569355 822591639 /nfs/dbraw/zinc/59/16/39/822591639.db2.gz WBXKCHDYKWKWPU-KDURUIRLSA-N 1 2 381.520 4.350 20 0 GIADLO CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569355 822591642 /nfs/dbraw/zinc/59/16/42/822591642.db2.gz WBXKCHDYKWKWPU-KDURUIRLSA-N 1 2 381.520 4.350 20 0 GIADLO CCN(CCc1ccccc1)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000047569965 822592074 /nfs/dbraw/zinc/59/20/74/822592074.db2.gz FUFQMWQOSONNQV-PMACEKPBSA-N 1 2 395.547 4.392 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)CCc2ccccc2)C[C@H](C)O1 ZINC000047569980 822592148 /nfs/dbraw/zinc/59/21/48/822592148.db2.gz ZDIBNAPOMSBUKD-KDURUIRLSA-N 1 2 381.520 4.002 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)CCc2ccccc2)C[C@H](C)O1 ZINC000047569980 822592151 /nfs/dbraw/zinc/59/21/51/822592151.db2.gz ZDIBNAPOMSBUKD-KDURUIRLSA-N 1 2 381.520 4.002 20 0 GIADLO CC(C)COC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1ccco1 ZINC000184210895 822596855 /nfs/dbraw/zinc/59/68/55/822596855.db2.gz ARYCHHQSYSXJCP-OAQYLSRUSA-N 1 2 384.520 4.409 20 0 GIADLO CCO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)cs1 ZINC000180020614 822598200 /nfs/dbraw/zinc/59/82/00/822598200.db2.gz VQYRGTDHMKQWJP-XNJGSVPQSA-N 1 2 389.521 4.201 20 0 GIADLO O=C(C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1)NC1CCCCCCC1 ZINC000047797418 822609671 /nfs/dbraw/zinc/60/96/71/822609671.db2.gz FZOLWDIUSYOTBJ-UHFFFAOYSA-N 1 2 392.490 4.089 20 0 GIADLO CCc1c(NC(=O)NCc2c[nH+]c(C)cc2C)cnn1-c1cccc(Cl)c1 ZINC000455279643 822625519 /nfs/dbraw/zinc/62/55/19/822625519.db2.gz MEFKPLDJJLXGSO-UHFFFAOYSA-N 1 2 383.883 4.422 20 0 GIADLO O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000048049004 822626882 /nfs/dbraw/zinc/62/68/82/822626882.db2.gz AMMHCDUHSGTFOM-FQEVSTJZSA-N 1 2 384.911 4.154 20 0 GIADLO Cc1c(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cccc1N(C)C ZINC000180187635 822635265 /nfs/dbraw/zinc/63/52/65/822635265.db2.gz VWWWLTSQDFKOJQ-VXKWHMMOSA-N 1 2 389.503 4.308 20 0 GIADLO Cc1cc(OC(C)C)ccc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000048122604 822635577 /nfs/dbraw/zinc/63/55/77/822635577.db2.gz GIGAPYIRFFOUGH-UHFFFAOYSA-N 1 2 378.476 4.349 20 0 GIADLO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000184447671 822636974 /nfs/dbraw/zinc/63/69/74/822636974.db2.gz CLSQZYRRCQNUDD-CQSZACIVSA-N 1 2 399.853 4.190 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1nc(C(C)(C)C)cs1 ZINC000184452345 822637860 /nfs/dbraw/zinc/63/78/60/822637860.db2.gz ADDNGTUARCFHFB-GFCCVEGCSA-N 1 2 388.562 4.364 20 0 GIADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000180212439 822640387 /nfs/dbraw/zinc/64/03/87/822640387.db2.gz RUCZDAARTOAUNQ-UHFFFAOYSA-N 1 2 385.430 4.089 20 0 GIADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000180212439 822640390 /nfs/dbraw/zinc/64/03/90/822640390.db2.gz RUCZDAARTOAUNQ-UHFFFAOYSA-N 1 2 385.430 4.089 20 0 GIADLO COc1cc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)ccc1OC(C)C ZINC000048192031 822643870 /nfs/dbraw/zinc/64/38/70/822643870.db2.gz XTNAVNKNCDSIIM-INIZCTEOSA-N 1 2 379.460 4.159 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184503553 822646753 /nfs/dbraw/zinc/64/67/53/822646753.db2.gz UWVYLUHEVPHIHN-CHWSQXEVSA-N 1 2 391.537 4.136 20 0 GIADLO O=c1cc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c2ccc(O)cc2o1 ZINC000180245108 822647256 /nfs/dbraw/zinc/64/72/56/822647256.db2.gz ZHNJZUJJAPQIGW-INIZCTEOSA-N 1 2 381.325 4.421 20 0 GIADLO O=C(CCCCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000048361493 822656185 /nfs/dbraw/zinc/65/61/85/822656185.db2.gz XNJHJMUMLZTYDE-UHFFFAOYSA-N 1 2 396.506 4.303 20 0 GIADLO O=C(CCCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000048361493 822656189 /nfs/dbraw/zinc/65/61/89/822656189.db2.gz XNJHJMUMLZTYDE-UHFFFAOYSA-N 1 2 396.506 4.303 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000048458732 822664068 /nfs/dbraw/zinc/66/40/68/822664068.db2.gz UGFFWVCRDKWZLJ-UHFFFAOYSA-N 1 2 397.523 4.050 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)c(C)[nH+]1 ZINC000455487598 822664208 /nfs/dbraw/zinc/66/42/08/822664208.db2.gz SWEWCJWSZQHMOM-INIZCTEOSA-N 1 2 388.462 4.196 20 0 GIADLO COc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1Br ZINC000455489720 822664764 /nfs/dbraw/zinc/66/47/64/822664764.db2.gz VZMCSEWQYXYBFO-UHFFFAOYSA-N 1 2 378.270 4.100 20 0 GIADLO Cc1cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1-c1ccncc1 ZINC000455491092 822665004 /nfs/dbraw/zinc/66/50/04/822665004.db2.gz RTYLPPVDUXRCMA-UHFFFAOYSA-N 1 2 392.528 4.468 20 0 GIADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Cc1ccccc1)c1ccco1 ZINC000184608968 822665271 /nfs/dbraw/zinc/66/52/71/822665271.db2.gz WULFRICTAPZBIN-UTKZUKDTSA-N 1 2 378.472 4.175 20 0 GIADLO COc1cccc([C@H]2C[C@H](NC(=O)N3CCC(CCCn4cc[nH+]c4)CC3)C2)c1 ZINC000455493556 822665326 /nfs/dbraw/zinc/66/53/26/822665326.db2.gz YHJOTFBKCQFYFJ-MEMLXQNLSA-N 1 2 396.535 4.040 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCN(c3cccc4cnccc43)C[C@H]2C)c(C)[nH+]1 ZINC000455492754 822665404 /nfs/dbraw/zinc/66/54/04/822665404.db2.gz BVAXNTWJPQJFOL-QGZVFWFLSA-N 1 2 389.503 4.298 20 0 GIADLO COc1ccc(CCNC(=O)Nc2c(C)cc(C)[nH+]c2C)c(Cl)c1OC ZINC000455541681 822672443 /nfs/dbraw/zinc/67/24/43/822672443.db2.gz ZFNZWZAJRGIRGN-UHFFFAOYSA-N 1 2 377.872 4.042 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000180389659 822674326 /nfs/dbraw/zinc/67/43/26/822674326.db2.gz BOGZHJPNEOPMCD-GOSISDBHSA-N 1 2 398.551 4.080 20 0 GIADLO COc1ccc2[nH]cc(C3=CCN(C(=O)NCc4c[nH+]c(C)cc4C)CC3)c2c1 ZINC000455556852 822674418 /nfs/dbraw/zinc/67/44/18/822674418.db2.gz KTRMDBHHCKBZKA-UHFFFAOYSA-N 1 2 390.487 4.187 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c[nH+]1 ZINC000455578349 822677561 /nfs/dbraw/zinc/67/75/61/822677561.db2.gz VFYXRUXOPGGIET-UHFFFAOYSA-N 1 2 380.467 4.408 20 0 GIADLO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2csc(CC)n2)cc1 ZINC000184721554 822681855 /nfs/dbraw/zinc/68/18/55/822681855.db2.gz UDAMRXQCGVZPGK-HNAYVOBHSA-N 1 2 387.549 4.119 20 0 GIADLO COC[C@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(C)o1 ZINC000184736453 822683820 /nfs/dbraw/zinc/68/38/20/822683820.db2.gz YGIAVCKZUZAAQB-ZDUSSCGKSA-N 1 2 391.682 4.464 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2cccc(-c3csc(C)n3)c2)o1 ZINC000184781155 822690010 /nfs/dbraw/zinc/69/00/10/822690010.db2.gz KLQPOEQYFAPVHZ-GOSISDBHSA-N 1 2 399.516 4.190 20 0 GIADLO CC(C)(C)[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000184816947 822694969 /nfs/dbraw/zinc/69/49/69/822694969.db2.gz FLCJQSLETTUDHC-UZUQRXQVSA-N 1 2 398.572 4.150 20 0 GIADLO CC(C)(C)[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000184816947 822694970 /nfs/dbraw/zinc/69/49/70/822694970.db2.gz FLCJQSLETTUDHC-UZUQRXQVSA-N 1 2 398.572 4.150 20 0 GIADLO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ncc(Br)s1 ZINC000180528515 822696712 /nfs/dbraw/zinc/69/67/12/822696712.db2.gz YUUMESNRCVDLML-SECBINFHSA-N 1 2 377.254 4.400 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N[C@@H](c2cccs2)C(C)(C)C)o1 ZINC000184841999 822698575 /nfs/dbraw/zinc/69/85/75/822698575.db2.gz QDNMMIMCDXQTAA-KXBFYZLASA-N 1 2 378.538 4.084 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N[C@H](c2cccs2)C(C)(C)C)o1 ZINC000184842014 822698584 /nfs/dbraw/zinc/69/85/84/822698584.db2.gz QDNMMIMCDXQTAA-DNVCBOLYSA-N 1 2 378.538 4.084 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000184844713 822699191 /nfs/dbraw/zinc/69/91/91/822699191.db2.gz NXXFOWMIQBWHTP-WAWSTRMLSA-N 1 2 393.531 4.466 20 0 GIADLO COc1ccc2c(C[NH2+][C@@H](C)c3ncc(-c4ccccc4)o3)cc(=O)oc2c1 ZINC000184859107 822701682 /nfs/dbraw/zinc/70/16/82/822701682.db2.gz NXHPVDZGRRVNDB-AWEZNQCLSA-N 1 2 376.412 4.307 20 0 GIADLO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1ncc(-c2ccccc2)o1 ZINC000184859750 822701940 /nfs/dbraw/zinc/70/19/40/822701940.db2.gz GVYVTEXMWHRDKF-KSFYIVLOSA-N 1 2 375.472 4.260 20 0 GIADLO Cc1cn(-c2ccccc2)nc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000184861180 822702041 /nfs/dbraw/zinc/70/20/41/822702041.db2.gz PUNZZFHRZYXIEH-HNNXBMFYSA-N 1 2 395.532 4.121 20 0 GIADLO Cc1cn(-c2ccccc2)nc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000184861180 822702046 /nfs/dbraw/zinc/70/20/46/822702046.db2.gz PUNZZFHRZYXIEH-HNNXBMFYSA-N 1 2 395.532 4.121 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N(C)Cc1cccc(F)c1 ZINC000184869027 822704096 /nfs/dbraw/zinc/70/40/96/822704096.db2.gz AYKDXTLQLPIQRZ-HOTGVXAUSA-N 1 2 381.451 4.178 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1CCc2sccc2C1 ZINC000184879831 822706196 /nfs/dbraw/zinc/70/61/96/822706196.db2.gz IMUMUZRNEMARBI-HUUCEWRRSA-N 1 2 381.501 4.027 20 0 GIADLO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1C ZINC000184892522 822708611 /nfs/dbraw/zinc/70/86/11/822708611.db2.gz KXNJTXCFYVOGMM-ROUUACIJSA-N 1 2 377.488 4.486 20 0 GIADLO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cc(Br)cc(F)c1O ZINC000184918207 822712952 /nfs/dbraw/zinc/71/29/52/822712952.db2.gz XQQJRGQRMOCVND-VFZGTOFNSA-N 1 2 388.664 4.331 20 0 GIADLO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1noc(C2CCOCC2)n1 ZINC000184953688 822717816 /nfs/dbraw/zinc/71/78/16/822717816.db2.gz DMKBMLWZYRZKDK-GOSISDBHSA-N 1 2 383.517 4.407 20 0 GIADLO CCCn1ncc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1C1CC1 ZINC000455744036 822718310 /nfs/dbraw/zinc/71/83/10/822718310.db2.gz ARYHSDQCQUPOFH-UHFFFAOYSA-N 1 2 384.528 4.091 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)s1 ZINC000184974092 822720298 /nfs/dbraw/zinc/72/02/98/822720298.db2.gz ROHUKBBLDFUHND-YLJYHZDGSA-N 1 2 379.529 4.202 20 0 GIADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000184981350 822721455 /nfs/dbraw/zinc/72/14/55/822721455.db2.gz QVSJGNOQRDJYSR-MAUKXSAKSA-N 1 2 383.521 4.195 20 0 GIADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000184981350 822721457 /nfs/dbraw/zinc/72/14/57/822721457.db2.gz QVSJGNOQRDJYSR-MAUKXSAKSA-N 1 2 383.521 4.195 20 0 GIADLO CC(C)Oc1cccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000455768593 822722944 /nfs/dbraw/zinc/72/29/44/822722944.db2.gz IZDIKNFQEYSOQF-UHFFFAOYSA-N 1 2 378.476 4.083 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cccc(CSc3ccccn3)c2)s1 ZINC000185015487 822725512 /nfs/dbraw/zinc/72/55/12/822725512.db2.gz VNYJPMFUEYMDJM-HNNXBMFYSA-N 1 2 398.557 4.428 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CCCc2ncc(-c3ccccc3)o2)c1C ZINC000050448166 822729702 /nfs/dbraw/zinc/72/97/02/822729702.db2.gz KKKOIBADUCPTMA-UHFFFAOYSA-N 1 2 379.460 4.001 20 0 GIADLO CC[C@H]([NH2+]CC(=O)NCc1ccccc1COc1ccccc1)c1nccs1 ZINC000185081420 822734404 /nfs/dbraw/zinc/73/44/04/822734404.db2.gz REBMALYPRBINPE-FQEVSTJZSA-N 1 2 395.528 4.079 20 0 GIADLO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1)C1CCCCC1 ZINC000185099686 822736972 /nfs/dbraw/zinc/73/69/72/822736972.db2.gz ZAXCGOIFTVUROT-GJZGRUSLSA-N 1 2 388.487 4.096 20 0 GIADLO Cc1c(Br)scc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000185123291 822739951 /nfs/dbraw/zinc/73/99/51/822739951.db2.gz GRCRTWOKGNXXSI-UHFFFAOYSA-N 1 2 394.269 4.074 20 0 GIADLO O=C(CCCOc1ccc(Cl)cc1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000051035631 822744580 /nfs/dbraw/zinc/74/45/80/822744580.db2.gz WXADHQUODMDQFG-UHFFFAOYSA-N 1 2 397.906 4.103 20 0 GIADLO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)s1 ZINC000051098560 822746457 /nfs/dbraw/zinc/74/64/57/822746457.db2.gz DAPBHFOMQPFOAD-UHFFFAOYSA-N 1 2 387.530 4.167 20 0 GIADLO Cc1nc(NC(=O)NCCCn2cc[nH+]c2)sc1Cc1ccccc1Cl ZINC000455935653 822752971 /nfs/dbraw/zinc/75/29/71/822752971.db2.gz TVCUOZWLIRGKGC-UHFFFAOYSA-N 1 2 389.912 4.104 20 0 GIADLO Cc1ccc(C[C@@H]2CCCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000051278160 822753837 /nfs/dbraw/zinc/75/38/37/822753837.db2.gz WBRZEXCDVYISFH-NRFANRHFSA-N 1 2 392.547 4.023 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(Cc2ccco2)Cc2cccs2)c1C ZINC000051335486 822756644 /nfs/dbraw/zinc/75/66/44/822756644.db2.gz XMTPHWHWFDQYJL-UHFFFAOYSA-N 1 2 385.489 4.274 20 0 GIADLO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000185276279 822758209 /nfs/dbraw/zinc/75/82/09/822758209.db2.gz ZDRWDJORESKZIB-HOCLYGCPSA-N 1 2 393.915 4.170 20 0 GIADLO COc1ccc2cc(C[N@H+](C)Cc3csc(-c4ncccn4)n3)ccc2c1 ZINC000051455320 822760660 /nfs/dbraw/zinc/76/06/60/822760660.db2.gz FGMFNSHAVKVGDT-UHFFFAOYSA-N 1 2 376.485 4.394 20 0 GIADLO COc1ccc2cc(C[N@@H+](C)Cc3csc(-c4ncccn4)n3)ccc2c1 ZINC000051455320 822760662 /nfs/dbraw/zinc/76/06/62/822760662.db2.gz FGMFNSHAVKVGDT-UHFFFAOYSA-N 1 2 376.485 4.394 20 0 GIADLO O=C(NC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1)c1ccccc1 ZINC000051502938 822763196 /nfs/dbraw/zinc/76/31/96/822763196.db2.gz KCMDLFJLIWUZDI-UHFFFAOYSA-N 1 2 391.540 4.128 20 0 GIADLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185350670 822769591 /nfs/dbraw/zinc/76/95/91/822769591.db2.gz RKPAEBGTRFWBDI-SECBINFHSA-N 1 2 399.216 4.061 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c1C ZINC000051642925 822770235 /nfs/dbraw/zinc/77/02/35/822770235.db2.gz FXTBHRCWYFYSFM-UHFFFAOYSA-N 1 2 380.448 4.301 20 0 GIADLO CCOc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)cc1OC ZINC000051679576 822773438 /nfs/dbraw/zinc/77/34/38/822773438.db2.gz LDNSZHPOTYLANT-CYBMUJFWSA-N 1 2 396.940 4.118 20 0 GIADLO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)cc1OC ZINC000051679576 822773441 /nfs/dbraw/zinc/77/34/41/822773441.db2.gz LDNSZHPOTYLANT-CYBMUJFWSA-N 1 2 396.940 4.118 20 0 GIADLO CCOCc1ccc(CNC(=O)C[N@H+](CC)Cc2ccc(Cl)s2)cc1 ZINC000051679221 822773514 /nfs/dbraw/zinc/77/35/14/822773514.db2.gz TXHZNAOIOBKYLI-UHFFFAOYSA-N 1 2 380.941 4.076 20 0 GIADLO CCOCc1ccc(CNC(=O)C[N@@H+](CC)Cc2ccc(Cl)s2)cc1 ZINC000051679221 822773517 /nfs/dbraw/zinc/77/35/17/822773517.db2.gz TXHZNAOIOBKYLI-UHFFFAOYSA-N 1 2 380.941 4.076 20 0 GIADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000456131345 822782250 /nfs/dbraw/zinc/78/22/50/822782250.db2.gz CTXYNMVDNOUTSF-MRXNPFEDSA-N 1 2 375.875 4.056 20 0 GIADLO CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000174412404 822786623 /nfs/dbraw/zinc/78/66/23/822786623.db2.gz XCCWFRFAOYBKKN-FQEVSTJZSA-N 1 2 384.524 4.416 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccccc2Oc2cccnc2)c1C ZINC000052027588 822788459 /nfs/dbraw/zinc/78/84/59/822788459.db2.gz PPXOCYSZLXXUSC-UHFFFAOYSA-N 1 2 377.444 4.167 20 0 GIADLO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000174427227 822788530 /nfs/dbraw/zinc/78/85/30/822788530.db2.gz FJALHMLJYOVPDW-MRXNPFEDSA-N 1 2 382.245 4.233 20 0 GIADLO Cc1noc(C)c1C[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000174427227 822788531 /nfs/dbraw/zinc/78/85/31/822788531.db2.gz FJALHMLJYOVPDW-MRXNPFEDSA-N 1 2 382.245 4.233 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000185485539 822789605 /nfs/dbraw/zinc/78/96/05/822789605.db2.gz SECWRPLDGMXDCM-GOSISDBHSA-N 1 2 397.482 4.224 20 0 GIADLO Cc1nc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)sc1C ZINC000174434948 822789736 /nfs/dbraw/zinc/78/97/36/822789736.db2.gz PFEHIKUIHJCSPQ-UHFFFAOYSA-N 1 2 377.254 4.414 20 0 GIADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185492647 822790303 /nfs/dbraw/zinc/79/03/03/822790303.db2.gz LTNRHCQKJKZESX-AWEZNQCLSA-N 1 2 393.314 4.304 20 0 GIADLO CC(=O)N(c1nc(C[NH2+]CCCCn2ccnc2C)cs1)c1ccc(C)cc1 ZINC000174453440 822792045 /nfs/dbraw/zinc/79/20/45/822792045.db2.gz MVUZJBIAMHERER-UHFFFAOYSA-N 1 2 397.548 4.211 20 0 GIADLO CCCCN(C)C(=O)C1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000052186312 822792805 /nfs/dbraw/zinc/79/28/05/822792805.db2.gz NSXLEUIQFAZOQK-UHFFFAOYSA-N 1 2 386.565 4.357 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2Oc2ccccc2)ccc1O ZINC000174542815 822803029 /nfs/dbraw/zinc/80/30/29/822803029.db2.gz OUDKGDCODYBXMY-UHFFFAOYSA-N 1 2 392.455 4.264 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2Oc2ccccc2)ccc1O ZINC000174542815 822803030 /nfs/dbraw/zinc/80/30/30/822803030.db2.gz OUDKGDCODYBXMY-UHFFFAOYSA-N 1 2 392.455 4.264 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1(Cc2cccc(F)c2)CCC1 ZINC000185651295 822806885 /nfs/dbraw/zinc/80/68/85/822806885.db2.gz NAKAKYULZXAMNB-UHFFFAOYSA-N 1 2 377.463 4.100 20 0 GIADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052712032 822808033 /nfs/dbraw/zinc/80/80/33/822808033.db2.gz WOTSIXVZUJRBTM-CQSZACIVSA-N 1 2 388.924 4.330 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)C[N@H+](Cc3ccccn3)C(C)C)c2)cs1 ZINC000052832694 822812494 /nfs/dbraw/zinc/81/24/94/822812494.db2.gz DGBUGPMOWTWWKT-UHFFFAOYSA-N 1 2 380.517 4.363 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)C[N@@H+](Cc3ccccn3)C(C)C)c2)cs1 ZINC000052832694 822812495 /nfs/dbraw/zinc/81/24/95/822812495.db2.gz DGBUGPMOWTWWKT-UHFFFAOYSA-N 1 2 380.517 4.363 20 0 GIADLO CC[N@H+](CC(=O)N[C@H]1CCO[C@@H](c2cccs2)C1)Cc1ccccc1Cl ZINC000456520504 822812685 /nfs/dbraw/zinc/81/26/85/822812685.db2.gz ZRHPWZWGHVELKH-FUHWJXTLSA-N 1 2 392.952 4.260 20 0 GIADLO CC[N@@H+](CC(=O)N[C@H]1CCO[C@@H](c2cccs2)C1)Cc1ccccc1Cl ZINC000456520504 822812688 /nfs/dbraw/zinc/81/26/88/822812688.db2.gz ZRHPWZWGHVELKH-FUHWJXTLSA-N 1 2 392.952 4.260 20 0 GIADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847897 822812917 /nfs/dbraw/zinc/81/29/17/822812917.db2.gz REMPTOXNBNDWDJ-VIFPVBQESA-N 1 2 389.265 4.248 20 0 GIADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847897 822812919 /nfs/dbraw/zinc/81/29/19/822812919.db2.gz REMPTOXNBNDWDJ-VIFPVBQESA-N 1 2 389.265 4.248 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)c1nnc2ccccn21 ZINC000052919048 822815819 /nfs/dbraw/zinc/81/58/19/822815819.db2.gz NGBRZECECRFACP-CYBMUJFWSA-N 1 2 375.457 4.450 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC4(CCC4)[C@H]3c3ccco3)cn2c1 ZINC000456568782 822817036 /nfs/dbraw/zinc/81/70/36/822817036.db2.gz PKJNVVIKXMUIEG-HXUWFJFHSA-N 1 2 381.501 4.223 20 0 GIADLO CCSc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)ccn1 ZINC000052976426 822817339 /nfs/dbraw/zinc/81/73/39/822817339.db2.gz GCGITJCPKYEDGZ-UHFFFAOYSA-N 1 2 376.551 4.134 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@H+](Cc2ccc(OC)cc2)[C@H](C)C2CC2)cs1 ZINC000053098128 822821553 /nfs/dbraw/zinc/82/15/53/822821553.db2.gz BOWYSACGUVYNCD-OAHLLOKOSA-N 1 2 387.549 4.325 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@@H+](Cc2ccc(OC)cc2)[C@H](C)C2CC2)cs1 ZINC000053098128 822821556 /nfs/dbraw/zinc/82/15/56/822821556.db2.gz BOWYSACGUVYNCD-OAHLLOKOSA-N 1 2 387.549 4.325 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000053111166 822822125 /nfs/dbraw/zinc/82/21/25/822822125.db2.gz KXWWDXMGKOJCJW-ZDUSSCGKSA-N 1 2 378.394 4.367 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000053111166 822822128 /nfs/dbraw/zinc/82/21/28/822822128.db2.gz KXWWDXMGKOJCJW-ZDUSSCGKSA-N 1 2 378.394 4.367 20 0 GIADLO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CC=C(COC)CC1 ZINC000185831172 822825280 /nfs/dbraw/zinc/82/52/80/822825280.db2.gz SMCWALRBNLWNTB-JOCHJYFZSA-N 1 2 380.488 4.044 20 0 GIADLO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC=C(COC)CC1 ZINC000185831172 822825283 /nfs/dbraw/zinc/82/52/83/822825283.db2.gz SMCWALRBNLWNTB-JOCHJYFZSA-N 1 2 380.488 4.044 20 0 GIADLO CSc1ccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000174734898 822830222 /nfs/dbraw/zinc/83/02/22/822830222.db2.gz LIRZWDQXUYWIDK-UHFFFAOYSA-N 1 2 384.549 4.265 20 0 GIADLO O=C(Nc1ccc(O)c(F)c1F)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000456783832 822830562 /nfs/dbraw/zinc/83/05/62/822830562.db2.gz LKRZVHVYLDAUJY-ZDUSSCGKSA-N 1 2 375.419 4.116 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000174738226 822830610 /nfs/dbraw/zinc/83/06/10/822830610.db2.gz SCWVOFPDEBUMPG-QHCPKHFHSA-N 1 2 392.547 4.481 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000174760156 822833665 /nfs/dbraw/zinc/83/36/65/822833665.db2.gz ZZOBXSZIEWCOAS-RDGATRHJSA-N 1 2 389.543 4.051 20 0 GIADLO O=C(Cc1ccc(C(F)(F)F)cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000053459863 822835950 /nfs/dbraw/zinc/83/59/50/822835950.db2.gz NMTYMBRMPMKSBR-UHFFFAOYSA-N 1 2 383.439 4.329 20 0 GIADLO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456829464 822836113 /nfs/dbraw/zinc/83/61/13/822836113.db2.gz CBAQUGYPILHNLH-UHFFFAOYSA-N 1 2 390.531 4.118 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000456833367 822836313 /nfs/dbraw/zinc/83/63/13/822836313.db2.gz KGEFJXWMBJIXRT-OAQYLSRUSA-N 1 2 381.426 4.116 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1nc(C(F)(F)F)cs1 ZINC000185950405 822836384 /nfs/dbraw/zinc/83/63/84/822836384.db2.gz PBZGJJKLDHTTJO-SECBINFHSA-N 1 2 397.875 4.234 20 0 GIADLO Cc1cc(C)c(CNC(=O)CCSc2ccc(Br)cc2)c[nH+]1 ZINC000456836197 822836729 /nfs/dbraw/zinc/83/67/29/822836729.db2.gz APMGOZFDTIPGSC-UHFFFAOYSA-N 1 2 379.323 4.260 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000456844341 822837453 /nfs/dbraw/zinc/83/74/53/822837453.db2.gz SEHATEZOATWLJF-SFHVURJKSA-N 1 2 391.368 4.265 20 0 GIADLO Cc1cc(C)c(CNC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)c[nH+]1 ZINC000456859760 822838836 /nfs/dbraw/zinc/83/88/36/822838836.db2.gz NFDVNWLSGTZRCG-UHFFFAOYSA-N 1 2 388.393 4.141 20 0 GIADLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C(C)=O)c1nc(C(F)(F)F)cs1 ZINC000185979009 822840287 /nfs/dbraw/zinc/84/02/87/822840287.db2.gz QRQOHHSJFSEEMZ-MFKMUULPSA-N 1 2 399.438 4.432 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(C)=O)c1nc(C(F)(F)F)cs1 ZINC000185978977 822840308 /nfs/dbraw/zinc/84/03/08/822840308.db2.gz QRQOHHSJFSEEMZ-GWCFXTLKSA-N 1 2 399.438 4.432 20 0 GIADLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C(C)=O)c1nc(C(F)(F)F)cs1 ZINC000185979026 822840361 /nfs/dbraw/zinc/84/03/61/822840361.db2.gz QRQOHHSJFSEEMZ-ZWNOBZJWSA-N 1 2 399.438 4.432 20 0 GIADLO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c(OC)cc1Cl ZINC000053718286 822845722 /nfs/dbraw/zinc/84/57/22/822845722.db2.gz DLUUBJWJHNBBNQ-QGZVFWFLSA-N 1 2 392.858 4.272 20 0 GIADLO COc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c(OC)cc1Cl ZINC000053718286 822845727 /nfs/dbraw/zinc/84/57/27/822845727.db2.gz DLUUBJWJHNBBNQ-QGZVFWFLSA-N 1 2 392.858 4.272 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000053718011 822845771 /nfs/dbraw/zinc/84/57/71/822845771.db2.gz QIRVDHKWJUPEFK-NRFANRHFSA-N 1 2 392.478 4.404 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000053718011 822845775 /nfs/dbraw/zinc/84/57/75/822845775.db2.gz QIRVDHKWJUPEFK-NRFANRHFSA-N 1 2 392.478 4.404 20 0 GIADLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000053718037 822845815 /nfs/dbraw/zinc/84/58/15/822845815.db2.gz XKOFSQRYGLEGOW-NRFANRHFSA-N 1 2 397.494 4.083 20 0 GIADLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000053718037 822845819 /nfs/dbraw/zinc/84/58/19/822845819.db2.gz XKOFSQRYGLEGOW-NRFANRHFSA-N 1 2 397.494 4.083 20 0 GIADLO Cc1cccc(NC(=O)C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c1C ZINC000053780506 822847955 /nfs/dbraw/zinc/84/79/55/822847955.db2.gz LJAHZVDABQLQKZ-QHCPKHFHSA-N 1 2 387.483 4.212 20 0 GIADLO CC[C@](C)([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nccs1 ZINC000174871758 822849170 /nfs/dbraw/zinc/84/91/70/822849170.db2.gz DGLMLVJLIOBHQB-IBGZPJMESA-N 1 2 380.579 4.129 20 0 GIADLO CCc1c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1ccc(Cl)cc1 ZINC000186095420 822851079 /nfs/dbraw/zinc/85/10/79/822851079.db2.gz TWJJWFXACDQLKW-FOIQADDNSA-N 1 2 397.910 4.008 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCCc1ccc(OC)cc1 ZINC000174895435 822852021 /nfs/dbraw/zinc/85/20/21/822852021.db2.gz BWQSKQGACFUGPV-UHFFFAOYSA-N 1 2 395.547 4.178 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(Cl)cc1F ZINC000174904970 822853598 /nfs/dbraw/zinc/85/35/98/822853598.db2.gz DWYKVUISOQQVAG-UHFFFAOYSA-N 1 2 375.875 4.253 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H](C)c1ccccc1OC ZINC000174906440 822853801 /nfs/dbraw/zinc/85/38/01/822853801.db2.gz JHTMGQPOFYCPCM-IBGZPJMESA-N 1 2 395.547 4.349 20 0 GIADLO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000186176972 822858180 /nfs/dbraw/zinc/85/81/80/822858180.db2.gz LKSKXJXXGCJBLL-JTQLQIEISA-N 1 2 384.293 4.003 20 0 GIADLO C[C@@H]1CC[N@H+](Cn2nc(-c3cccnc3)n(Cc3ccccc3)c2=S)[C@@H]1C ZINC000174955281 822860767 /nfs/dbraw/zinc/86/07/67/822860767.db2.gz PBHNOZSVTRGPBA-IAGOWNOFSA-N 1 2 379.533 4.212 20 0 GIADLO C[C@@H]1CC[N@@H+](Cn2nc(-c3cccnc3)n(Cc3ccccc3)c2=S)[C@@H]1C ZINC000174955281 822860770 /nfs/dbraw/zinc/86/07/70/822860770.db2.gz PBHNOZSVTRGPBA-IAGOWNOFSA-N 1 2 379.533 4.212 20 0 GIADLO COc1ccc(C[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C2CC2)cc1 ZINC000186245203 822864361 /nfs/dbraw/zinc/86/43/61/822864361.db2.gz NDMUMSOKRYZRDS-UHFFFAOYSA-N 1 2 382.895 4.309 20 0 GIADLO COc1ccc(C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C2CC2)cc1 ZINC000186245203 822864363 /nfs/dbraw/zinc/86/43/63/822864363.db2.gz NDMUMSOKRYZRDS-UHFFFAOYSA-N 1 2 382.895 4.309 20 0 GIADLO COc1ccc2nc(-c3noc(Cc4c[nH+]cn4Cc4ccccc4)n3)ccc2c1 ZINC000568959724 822865196 /nfs/dbraw/zinc/86/51/96/822865196.db2.gz YZLZSCTZMRRNDO-UHFFFAOYSA-N 1 2 397.438 4.129 20 0 GIADLO CC[C@@H](C)[N@H+](CCO)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 ZINC000568969428 822866398 /nfs/dbraw/zinc/86/63/98/822866398.db2.gz KJKLSZWYRKGNDD-QGZVFWFLSA-N 1 2 389.565 4.346 20 0 GIADLO CC[C@@H](C)[N@@H+](CCO)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 ZINC000568969428 822866403 /nfs/dbraw/zinc/86/64/03/822866403.db2.gz KJKLSZWYRKGNDD-QGZVFWFLSA-N 1 2 389.565 4.346 20 0 GIADLO O=C(CCC(=O)c1ccc2ccccc2c1)NCC[N@@H+]1CCc2sccc2C1 ZINC000054220562 822868896 /nfs/dbraw/zinc/86/88/96/822868896.db2.gz AOMDSNWYVLYGKP-UHFFFAOYSA-N 1 2 392.524 4.039 20 0 GIADLO O=C(CCC(=O)c1ccc2ccccc2c1)NCC[N@H+]1CCc2sccc2C1 ZINC000054220562 822868898 /nfs/dbraw/zinc/86/88/98/822868898.db2.gz AOMDSNWYVLYGKP-UHFFFAOYSA-N 1 2 392.524 4.039 20 0 GIADLO COc1ccc(Br)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000054224960 822869662 /nfs/dbraw/zinc/86/96/62/822869662.db2.gz JVEPWLMOJWVIKO-UHFFFAOYSA-N 1 2 390.212 4.035 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000186294386 822872356 /nfs/dbraw/zinc/87/23/56/822872356.db2.gz NLLAMGRHPRZOMR-LJQANCHMSA-N 1 2 383.879 4.129 20 0 GIADLO COc1ccc(SCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000054277358 822872594 /nfs/dbraw/zinc/87/25/94/822872594.db2.gz MDEBDOJTHLZGLA-CQSZACIVSA-N 1 2 391.562 4.114 20 0 GIADLO COc1ccc(SCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000054277358 822872598 /nfs/dbraw/zinc/87/25/98/822872598.db2.gz MDEBDOJTHLZGLA-CQSZACIVSA-N 1 2 391.562 4.114 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000054296654 822873836 /nfs/dbraw/zinc/87/38/36/822873836.db2.gz YOHBSOVFWGQRMT-QHCPKHFHSA-N 1 2 390.527 4.084 20 0 GIADLO CC(C)Oc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(Cl)c1 ZINC000457449098 822875896 /nfs/dbraw/zinc/87/58/96/822875896.db2.gz XTPSBUTXVPDQMH-UHFFFAOYSA-N 1 2 397.906 4.345 20 0 GIADLO CC[C@H](CC(F)F)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457451581 822876153 /nfs/dbraw/zinc/87/61/53/822876153.db2.gz QZONXBWSROAAKR-DOMZBBRYSA-N 1 2 376.850 4.414 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000054390480 822881267 /nfs/dbraw/zinc/88/12/67/822881267.db2.gz YOIINSDUHFWCNN-UHFFFAOYSA-N 1 2 399.494 4.309 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000054390480 822881268 /nfs/dbraw/zinc/88/12/68/822881268.db2.gz YOIINSDUHFWCNN-UHFFFAOYSA-N 1 2 399.494 4.309 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[NH2+]C(c1cccc(C)c1)c1cccc(C)c1 ZINC000186376501 822884498 /nfs/dbraw/zinc/88/44/98/822884498.db2.gz DXEQBUAVMZPRFB-UHFFFAOYSA-N 1 2 377.488 4.093 20 0 GIADLO CCCCOc1cccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000054469907 822888077 /nfs/dbraw/zinc/88/80/77/822888077.db2.gz DEPAYBQWYGKEAP-UHFFFAOYSA-N 1 2 378.476 4.432 20 0 GIADLO CC[C@@H](CC(F)F)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457554094 822890140 /nfs/dbraw/zinc/89/01/40/822890140.db2.gz JSFIKJZISLOXOZ-SWLSCSKDSA-N 1 2 376.850 4.241 20 0 GIADLO CC[C@@H](CC(F)F)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457554094 822890146 /nfs/dbraw/zinc/89/01/46/822890146.db2.gz JSFIKJZISLOXOZ-SWLSCSKDSA-N 1 2 376.850 4.241 20 0 GIADLO O=C(CCc1ccc2ccccc2c1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000054521235 822892923 /nfs/dbraw/zinc/89/29/23/822892923.db2.gz WIVRTXUBLULUFP-UHFFFAOYSA-N 1 2 383.495 4.376 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000186433700 822894566 /nfs/dbraw/zinc/89/45/66/822894566.db2.gz RYROKVKBDAMGCT-CABCVRRESA-N 1 2 393.516 4.275 20 0 GIADLO COc1ccc2cc([C@@H](C)[NH2+]Cc3nc(COc4ccccc4)n[nH]3)ccc2c1 ZINC000186435496 822894964 /nfs/dbraw/zinc/89/49/64/822894964.db2.gz XFBTVFJKZATTSS-MRXNPFEDSA-N 1 2 388.471 4.396 20 0 GIADLO O=C(NCCc1c(Cl)cccc1Cl)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000054650888 822901649 /nfs/dbraw/zinc/90/16/49/822901649.db2.gz GHLAOTXKYNPEFY-UHFFFAOYSA-N 1 2 393.318 4.031 20 0 GIADLO CCSCC[C@H](C)N(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175212103 822905418 /nfs/dbraw/zinc/90/54/18/822905418.db2.gz SYURGAYMKVUYEN-OKZBNKHCSA-N 1 2 393.597 4.291 20 0 GIADLO CCSCC[C@H](C)N(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175212103 822905420 /nfs/dbraw/zinc/90/54/20/822905420.db2.gz SYURGAYMKVUYEN-OKZBNKHCSA-N 1 2 393.597 4.291 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC3(C2)CCCCC3)C[C@H](C)O1 ZINC000175212741 822905729 /nfs/dbraw/zinc/90/57/29/822905729.db2.gz UPFJAJTZMRDNRY-KDURUIRLSA-N 1 2 385.552 4.484 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC3(C2)CCCCC3)C[C@H](C)O1 ZINC000175212741 822905731 /nfs/dbraw/zinc/90/57/31/822905731.db2.gz UPFJAJTZMRDNRY-KDURUIRLSA-N 1 2 385.552 4.484 20 0 GIADLO CN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000457691075 822907236 /nfs/dbraw/zinc/90/72/36/822907236.db2.gz YFMYKNPQKCDERM-GOTSBHOMSA-N 1 2 388.515 4.409 20 0 GIADLO CCOc1c(Br)cc(Cl)cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000569344426 822909655 /nfs/dbraw/zinc/90/96/55/822909655.db2.gz KLXJGJIMBYRXKL-SNVBAGLBSA-N 1 2 386.677 4.288 20 0 GIADLO Cc1cc(NC(=O)C[NH+]2CCC(c3cccc(F)c3F)CC2)n(C(C)(C)C)n1 ZINC000569407401 822918155 /nfs/dbraw/zinc/91/81/55/822918155.db2.gz QOOCRUUQDZTKCU-UHFFFAOYSA-N 1 2 390.478 4.043 20 0 GIADLO C[C@@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1cccc(F)c1 ZINC000175262803 822918573 /nfs/dbraw/zinc/91/85/73/822918573.db2.gz WKCQVMZRPXNPMU-VGOFRKELSA-N 1 2 392.478 4.363 20 0 GIADLO Cc1nn(C)c2sc(C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)cc12 ZINC000569486018 822928459 /nfs/dbraw/zinc/92/84/59/822928459.db2.gz USNGSRRUAFWVIY-UHFFFAOYSA-N 1 2 391.500 4.395 20 0 GIADLO Cc1ccccc1[C@@H](OC[C@H](O)C[N@@H+](C)Cc1nccs1)c1ccccc1 ZINC000175300754 822929095 /nfs/dbraw/zinc/92/90/95/822929095.db2.gz JWJOWMDEIIBNSV-KNQAVFIVSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1ccccc1[C@@H](OC[C@H](O)C[N@H+](C)Cc1nccs1)c1ccccc1 ZINC000175300754 822929100 /nfs/dbraw/zinc/92/91/00/822929100.db2.gz JWJOWMDEIIBNSV-KNQAVFIVSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+](C)Cc1nccs1)c1ccccc1 ZINC000175300733 822929155 /nfs/dbraw/zinc/92/91/55/822929155.db2.gz JWJOWMDEIIBNSV-DENIHFKCSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)Cc1nccs1)c1ccccc1 ZINC000175300733 822929158 /nfs/dbraw/zinc/92/91/58/822929158.db2.gz JWJOWMDEIIBNSV-DENIHFKCSA-N 1 2 382.529 4.050 20 0 GIADLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1OC ZINC000569509319 822931802 /nfs/dbraw/zinc/93/18/02/822931802.db2.gz RRDNJMWTZOUWCR-IBGZPJMESA-N 1 2 397.393 4.176 20 0 GIADLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1OC ZINC000569509319 822931806 /nfs/dbraw/zinc/93/18/06/822931806.db2.gz RRDNJMWTZOUWCR-IBGZPJMESA-N 1 2 397.393 4.176 20 0 GIADLO Cc1occc1C[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000055055204 822935410 /nfs/dbraw/zinc/93/54/10/822935410.db2.gz WWGGZULMSQTPRY-JOCHJYFZSA-N 1 2 380.513 4.256 20 0 GIADLO Cc1occc1C[N@@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000055055204 822935414 /nfs/dbraw/zinc/93/54/14/822935414.db2.gz WWGGZULMSQTPRY-JOCHJYFZSA-N 1 2 380.513 4.256 20 0 GIADLO Fc1cc(Br)cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1F ZINC000569608659 822944002 /nfs/dbraw/zinc/94/40/02/822944002.db2.gz MRAUOSHJYBZWNO-GOSISDBHSA-N 1 2 380.232 4.359 20 0 GIADLO Fc1cc(Br)cc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1F ZINC000569608659 822944005 /nfs/dbraw/zinc/94/40/05/822944005.db2.gz MRAUOSHJYBZWNO-GOSISDBHSA-N 1 2 380.232 4.359 20 0 GIADLO CC(C)Oc1ccc(Cl)cc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000055188968 822944399 /nfs/dbraw/zinc/94/43/99/822944399.db2.gz ZDNWEWUFVTVWGU-UHFFFAOYSA-N 1 2 397.906 4.345 20 0 GIADLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000569627356 822946742 /nfs/dbraw/zinc/94/67/42/822946742.db2.gz NBCBHXJNMBPPRG-NWDGAFQWSA-N 1 2 383.439 4.253 20 0 GIADLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000569627356 822946748 /nfs/dbraw/zinc/94/67/48/822946748.db2.gz NBCBHXJNMBPPRG-NWDGAFQWSA-N 1 2 383.439 4.253 20 0 GIADLO O=C(NCC1(Cc2cccc(Cl)c2)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000458011859 822950199 /nfs/dbraw/zinc/95/01/99/822950199.db2.gz LMLVLASUGRCNBL-UHFFFAOYSA-N 1 2 379.891 4.338 20 0 GIADLO C=CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000055388390 822956544 /nfs/dbraw/zinc/95/65/44/822956544.db2.gz FHHVKMXBHCHBEC-UHFFFAOYSA-N 1 2 386.455 4.263 20 0 GIADLO CC[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(OC(F)(F)F)cc1 ZINC000569703889 822956996 /nfs/dbraw/zinc/95/69/96/822956996.db2.gz DULVBSPLQFCPDL-QGZVFWFLSA-N 1 2 381.398 4.380 20 0 GIADLO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000175412327 822962595 /nfs/dbraw/zinc/96/25/95/822962595.db2.gz LLCSJLKENLGYKB-UHFFFAOYSA-N 1 2 386.304 4.006 20 0 GIADLO Cc1sc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)nc1-c1c(F)cc(F)cc1F ZINC000569761279 822964930 /nfs/dbraw/zinc/96/49/30/822964930.db2.gz GZXLLGPJTAVQRC-JTQLQIEISA-N 1 2 392.406 4.318 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc(C)cc1C ZINC000175436988 822968656 /nfs/dbraw/zinc/96/86/56/822968656.db2.gz ORUKNMGKBYARET-UHFFFAOYSA-N 1 2 380.536 4.147 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000055525490 822974692 /nfs/dbraw/zinc/97/46/92/822974692.db2.gz IMAOHYSOZORCGG-HXUWFJFHSA-N 1 2 379.891 4.432 20 0 GIADLO Cn1c[nH+]cc1CNC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000569868223 822978632 /nfs/dbraw/zinc/97/86/32/822978632.db2.gz CNLSUDGJPRXNDA-HNNXBMFYSA-N 1 2 386.805 4.043 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(-c2cccc3cccnc32)cc1 ZINC000569874820 822979019 /nfs/dbraw/zinc/97/90/19/822979019.db2.gz OECPCXDESOVMOJ-UHFFFAOYSA-N 1 2 378.435 4.480 20 0 GIADLO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1 ZINC000186921893 822980641 /nfs/dbraw/zinc/98/06/41/822980641.db2.gz GDYXQJHXFBCJBU-DNVCBOLYSA-N 1 2 388.895 4.082 20 0 GIADLO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@H+]2CC[C@@H](O)[C@H](C)C2)cc1 ZINC000186921893 822980644 /nfs/dbraw/zinc/98/06/44/822980644.db2.gz GDYXQJHXFBCJBU-DNVCBOLYSA-N 1 2 388.895 4.082 20 0 GIADLO Cc1cc(-c2noc([C@@H](c3ccccc3)[NH+]3CCSCC3)n2)cc(C)c1O ZINC000569887907 822980895 /nfs/dbraw/zinc/98/08/95/822980895.db2.gz IAEFRDLMDIONKA-GOSISDBHSA-N 1 2 381.501 4.197 20 0 GIADLO Cc1cccc2c1C[C@@H](c1nc([C@H]3C[N@H+](Cc4ccccc4)[C@@H](C)CO3)no1)O2 ZINC000569900871 822983173 /nfs/dbraw/zinc/98/31/73/822983173.db2.gz DRAGBMQJQOBZDO-ORYQWCPZSA-N 1 2 391.471 4.016 20 0 GIADLO Cc1cccc2c1C[C@@H](c1nc([C@H]3C[N@@H+](Cc4ccccc4)[C@@H](C)CO3)no1)O2 ZINC000569900871 822983174 /nfs/dbraw/zinc/98/31/74/822983174.db2.gz DRAGBMQJQOBZDO-ORYQWCPZSA-N 1 2 391.471 4.016 20 0 GIADLO Cc1nc(-c2ccccc2)oc1C(=O)OCCOCCCc1cccc(C)[nH+]1 ZINC000175506873 822985781 /nfs/dbraw/zinc/98/57/81/822985781.db2.gz CAFDAUFHINVPAG-UHFFFAOYSA-N 1 2 380.444 4.160 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH+]1CCC(c2ccsc2)CC1 ZINC000186957238 822986750 /nfs/dbraw/zinc/98/67/50/822986750.db2.gz JGKCSQPZTYRBSX-UHFFFAOYSA-N 1 2 394.544 4.369 20 0 GIADLO C[C@@H](CC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21)n1cc[nH+]c1 ZINC000569978035 822992271 /nfs/dbraw/zinc/99/22/71/822992271.db2.gz VOUIGZGXAMZNGQ-WFASDCNBSA-N 1 2 394.338 4.292 20 0 GIADLO Cc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(OC[C@@H]2CCCO2)c1 ZINC000055654342 822994315 /nfs/dbraw/zinc/99/43/15/822994315.db2.gz DLSDPMWARQUVAY-FQEVSTJZSA-N 1 2 391.471 4.050 20 0 GIADLO CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000175562500 822998257 /nfs/dbraw/zinc/99/82/57/822998257.db2.gz XYTUNHWAAZZTPL-INIZCTEOSA-N 1 2 397.548 4.161 20 0 GIADLO Cc1ccc(C)c(OC2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)c1 ZINC000055709599 823001640 /nfs/dbraw/zinc/00/16/40/823001640.db2.gz IBDHQXVZJDPGTD-UHFFFAOYSA-N 1 2 389.499 4.232 20 0 GIADLO CC[C@H](C)[C@@H](C)N(C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000175584381 823002267 /nfs/dbraw/zinc/00/22/67/823002267.db2.gz HZWIUIDALZYDLD-ZWKOTPCHSA-N 1 2 386.584 4.330 20 0 GIADLO COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000570114954 823007150 /nfs/dbraw/zinc/00/71/50/823007150.db2.gz HZDRYMQGSJUHCA-UWJYYQICSA-N 1 2 375.472 4.494 20 0 GIADLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cnc(-c4ccccc4)nc2)C3)cc1 ZINC000570142740 823010007 /nfs/dbraw/zinc/01/00/07/823010007.db2.gz HZXXMNIFUMXCHB-UHFFFAOYSA-N 1 2 381.483 4.196 20 0 GIADLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cnc(-c4ccccc4)nc2)C3)cc1 ZINC000570142740 823010009 /nfs/dbraw/zinc/01/00/09/823010009.db2.gz HZXXMNIFUMXCHB-UHFFFAOYSA-N 1 2 381.483 4.196 20 0 GIADLO O=C(c1nc2ccccc2cc1Cl)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000570209368 823015409 /nfs/dbraw/zinc/01/54/09/823015409.db2.gz MJRBMTFGXHSFLD-INIZCTEOSA-N 1 2 394.906 4.441 20 0 GIADLO Cc1ccc(Br)c(C)c1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000570232844 823017216 /nfs/dbraw/zinc/01/72/16/823017216.db2.gz HRPRXXCCZRDAKG-UHFFFAOYSA-N 1 2 398.304 4.241 20 0 GIADLO COc1c(Br)cccc1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000187149018 823017651 /nfs/dbraw/zinc/01/76/51/823017651.db2.gz MORFCYGOLUOEKQ-UHFFFAOYSA-N 1 2 391.309 4.031 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccccc1OC1CCC1 ZINC000187250101 823030550 /nfs/dbraw/zinc/03/05/50/823030550.db2.gz RFTQZWQZOXJMRZ-UHFFFAOYSA-N 1 2 393.936 4.355 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000570372147 823030821 /nfs/dbraw/zinc/03/08/21/823030821.db2.gz XUKBPEVDICPOIT-APWZRJJASA-N 1 2 398.869 4.079 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2nc(C)c(C(F)(F)F)s2)c1C ZINC000570415153 823034966 /nfs/dbraw/zinc/03/49/66/823034966.db2.gz SRCSFUAQKUBXNC-UHFFFAOYSA-N 1 2 388.415 4.155 20 0 GIADLO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187274507 823035164 /nfs/dbraw/zinc/03/51/64/823035164.db2.gz ANJHNXPUWGAXQY-FQEVSTJZSA-N 1 2 388.458 4.374 20 0 GIADLO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187274507 823035169 /nfs/dbraw/zinc/03/51/69/823035169.db2.gz ANJHNXPUWGAXQY-FQEVSTJZSA-N 1 2 388.458 4.374 20 0 GIADLO C[C@H](N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437916 823038297 /nfs/dbraw/zinc/03/82/97/823038297.db2.gz HYEOQRJPNLPWIU-ZOCIIQOWSA-N 1 2 382.508 4.440 20 0 GIADLO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437916 823038303 /nfs/dbraw/zinc/03/83/03/823038303.db2.gz HYEOQRJPNLPWIU-ZOCIIQOWSA-N 1 2 382.508 4.440 20 0 GIADLO C[C@H](c1ncc(Br)cn1)[N@H+](C)Cc1cccc(Br)c1 ZINC000570472152 823042613 /nfs/dbraw/zinc/04/26/13/823042613.db2.gz DMTNWIKPELTXFJ-SNVBAGLBSA-N 1 2 385.103 4.195 20 0 GIADLO C[C@H](c1ncc(Br)cn1)[N@@H+](C)Cc1cccc(Br)c1 ZINC000570472152 823042617 /nfs/dbraw/zinc/04/26/17/823042617.db2.gz DMTNWIKPELTXFJ-SNVBAGLBSA-N 1 2 385.103 4.195 20 0 GIADLO COC(=O)CC[C@@H]([NH2+][C@H](C)c1ncc(Br)cc1F)c1ccccc1 ZINC000187329692 823044335 /nfs/dbraw/zinc/04/43/35/823044335.db2.gz IBWIRCMQICNRRW-MLGOLLRUSA-N 1 2 395.272 4.328 20 0 GIADLO COCc1c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)sc2cccc(F)c21 ZINC000123815806 823542728 /nfs/dbraw/zinc/54/27/28/823542728.db2.gz XJPFDLUMWSKNLH-CJNGLKHVSA-N 1 2 387.480 4.107 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000190177961 823546983 /nfs/dbraw/zinc/54/69/83/823546983.db2.gz HEVNSGRSQXWKRK-ZDUSSCGKSA-N 1 2 376.526 4.122 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000190177961 823546985 /nfs/dbraw/zinc/54/69/85/823546985.db2.gz HEVNSGRSQXWKRK-ZDUSSCGKSA-N 1 2 376.526 4.122 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(C3SCCCS3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000123874954 823548305 /nfs/dbraw/zinc/54/83/05/823548305.db2.gz MNXSUPPOLYYJLP-MAUKXSAKSA-N 1 2 387.574 4.475 20 0 GIADLO O=C(Nc1n[nH]c(-c2cccc3ccccc32)n1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060631062 823549323 /nfs/dbraw/zinc/54/93/23/823549323.db2.gz VRAHIPVTEHJMCX-UHFFFAOYSA-N 1 2 394.438 4.122 20 0 GIADLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411136942 823551009 /nfs/dbraw/zinc/55/10/09/823551009.db2.gz OBWGSKSGMPPHNE-UHFFFAOYSA-N 1 2 392.434 4.373 20 0 GIADLO O=C(c1ccccc1Cc1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000060677015 823552139 /nfs/dbraw/zinc/55/21/39/823552139.db2.gz RSLLMCDKUHQTTP-UHFFFAOYSA-N 1 2 376.525 4.297 20 0 GIADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000411163498 823553432 /nfs/dbraw/zinc/55/34/32/823553432.db2.gz NNVSARUPTDXFIB-QGZVFWFLSA-N 1 2 393.462 4.390 20 0 GIADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000411163498 823553434 /nfs/dbraw/zinc/55/34/34/823553434.db2.gz NNVSARUPTDXFIB-QGZVFWFLSA-N 1 2 393.462 4.390 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)C[C@@H](Cc3ccccc3)c3ccccc3)sc2C1 ZINC000460980571 823555168 /nfs/dbraw/zinc/55/51/68/823555168.db2.gz FKYDKZHPBRXGNM-LJQANCHMSA-N 1 2 391.540 4.486 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)C[C@@H](Cc3ccccc3)c3ccccc3)sc2C1 ZINC000460980571 823555172 /nfs/dbraw/zinc/55/51/72/823555172.db2.gz FKYDKZHPBRXGNM-LJQANCHMSA-N 1 2 391.540 4.486 20 0 GIADLO Cc1ccc(C)n1-c1sccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000060780840 823557006 /nfs/dbraw/zinc/55/70/06/823557006.db2.gz MCKJQXHMDBQWIB-UHFFFAOYSA-N 1 2 385.558 4.175 20 0 GIADLO COc1ccc(OC(F)F)c(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000124000255 823558916 /nfs/dbraw/zinc/55/89/16/823558916.db2.gz LHFZEVGHIGLVQY-UHFFFAOYSA-N 1 2 375.415 4.392 20 0 GIADLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000190302276 823560706 /nfs/dbraw/zinc/56/07/06/823560706.db2.gz KEDNCLSILZPWHU-CPUCHLNUSA-N 1 2 380.414 4.256 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)c(OC)c1 ZINC000124055843 823563755 /nfs/dbraw/zinc/56/37/55/823563755.db2.gz YUHKHSCYQKQRQY-CYBMUJFWSA-N 1 2 385.489 4.082 20 0 GIADLO CCO[C@@H](C)c1noc(C[N@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n1 ZINC000190362878 823566443 /nfs/dbraw/zinc/56/64/43/823566443.db2.gz VMBSXHUUHVVKBM-NEPJUHHUSA-N 1 2 388.295 4.373 20 0 GIADLO CCO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n1 ZINC000190362878 823566445 /nfs/dbraw/zinc/56/64/45/823566445.db2.gz VMBSXHUUHVVKBM-NEPJUHHUSA-N 1 2 388.295 4.373 20 0 GIADLO CCn1c(=S)n(C[N@H+](CC)Cc2c[nH]c3ccccc23)nc1-c1ccccn1 ZINC000190400476 823569363 /nfs/dbraw/zinc/56/93/63/823569363.db2.gz IOOWFZNRUUQJEH-UHFFFAOYSA-N 1 2 392.532 4.457 20 0 GIADLO CCn1c(=S)n(C[N@@H+](CC)Cc2c[nH]c3ccccc23)nc1-c1ccccn1 ZINC000190400476 823569365 /nfs/dbraw/zinc/56/93/65/823569365.db2.gz IOOWFZNRUUQJEH-UHFFFAOYSA-N 1 2 392.532 4.457 20 0 GIADLO C[C@H](CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000124123094 823569576 /nfs/dbraw/zinc/56/95/76/823569576.db2.gz JKGFYDWKZHPHPL-DAYGRLMNSA-N 1 2 390.325 4.249 20 0 GIADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000061025008 823573867 /nfs/dbraw/zinc/57/38/67/823573867.db2.gz OSXYRTAAPJOTRU-UHFFFAOYSA-N 1 2 395.366 4.380 20 0 GIADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000061025008 823573871 /nfs/dbraw/zinc/57/38/71/823573871.db2.gz OSXYRTAAPJOTRU-UHFFFAOYSA-N 1 2 395.366 4.380 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)c3ccc(F)c(F)c3)CC2)s1 ZINC000461086878 823574068 /nfs/dbraw/zinc/57/40/68/823574068.db2.gz JRQZFTOBGLXABA-AWEZNQCLSA-N 1 2 378.488 4.037 20 0 GIADLO CCCCOc1ccc([C@H](C)[NH2+]Cc2nc(N)c3ccccc3n2)cc1OC ZINC000411445398 823575031 /nfs/dbraw/zinc/57/50/31/823575031.db2.gz AAPOYWILEUVHTA-HNNXBMFYSA-N 1 2 380.492 4.081 20 0 GIADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1OC ZINC000411449111 823575504 /nfs/dbraw/zinc/57/55/04/823575504.db2.gz LSKUDGXFXGGEMF-GFCCVEGCSA-N 1 2 387.867 4.247 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Cc2ccc(C)cc2)cc1 ZINC000061058032 823575898 /nfs/dbraw/zinc/57/58/98/823575898.db2.gz UCAZRTJAGUZQJZ-UHFFFAOYSA-N 1 2 391.515 4.252 20 0 GIADLO CCOc1cccc([C@@H](C)[NH2+]Cc2nc3sc4c(c3c(N)n2)CCCC4)c1 ZINC000411450898 823576032 /nfs/dbraw/zinc/57/60/32/823576032.db2.gz HKRPLOMAOIPBLR-CYBMUJFWSA-N 1 2 382.533 4.402 20 0 GIADLO CCSc1ccc([C@@H](C)[NH2+]Cc2nc(N)nc(Nc3ccc(F)cc3)n2)cc1 ZINC000411453982 823576468 /nfs/dbraw/zinc/57/64/68/823576468.db2.gz AAYVMINHMWPQPM-CYBMUJFWSA-N 1 2 398.511 4.130 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](CC)c1ccc(F)cc1F ZINC000190459829 823577513 /nfs/dbraw/zinc/57/75/13/823577513.db2.gz LFCWSDNJTIVTRZ-SFHVURJKSA-N 1 2 378.467 4.297 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190504039 823581677 /nfs/dbraw/zinc/58/16/77/823581677.db2.gz OYSZMWDVJYSMDV-CQSZACIVSA-N 1 2 391.874 4.053 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000411521347 823584355 /nfs/dbraw/zinc/58/43/55/823584355.db2.gz YIMCBEVZIJBYHI-CYBMUJFWSA-N 1 2 389.418 4.000 20 0 GIADLO CC(C)OC(=O)[C@H](C)C[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000124311464 823586171 /nfs/dbraw/zinc/58/61/71/823586171.db2.gz HCGBIQJNMUZQGV-APWZRJJASA-N 1 2 379.460 4.003 20 0 GIADLO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000190573389 823587512 /nfs/dbraw/zinc/58/75/12/823587512.db2.gz DAMFGGLMIMMKPI-UHFFFAOYSA-N 1 2 398.265 4.009 20 0 GIADLO COc1ccc(CCCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000061413279 823595931 /nfs/dbraw/zinc/59/59/31/823595931.db2.gz BPOKVZHTLKAGLP-INIZCTEOSA-N 1 2 387.549 4.345 20 0 GIADLO COc1ccc(CCCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000061413279 823595937 /nfs/dbraw/zinc/59/59/37/823595937.db2.gz BPOKVZHTLKAGLP-INIZCTEOSA-N 1 2 387.549 4.345 20 0 GIADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000411692948 823597475 /nfs/dbraw/zinc/59/74/75/823597475.db2.gz KZKNWWPQERLLJM-SFHVURJKSA-N 1 2 398.450 4.129 20 0 GIADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000411692948 823597480 /nfs/dbraw/zinc/59/74/80/823597480.db2.gz KZKNWWPQERLLJM-SFHVURJKSA-N 1 2 398.450 4.129 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c1C ZINC000461209693 823599134 /nfs/dbraw/zinc/59/91/34/823599134.db2.gz NQWIBDCWRGGSDR-UHFFFAOYSA-N 1 2 377.469 4.443 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cc(C)ccc3Cl)cc2)c1C ZINC000461222330 823600912 /nfs/dbraw/zinc/60/09/12/823600912.db2.gz ZVAZWRFHQLXCLR-UHFFFAOYSA-N 1 2 375.881 4.252 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000124512796 823602565 /nfs/dbraw/zinc/60/25/65/823602565.db2.gz TXWIVURLKNIHMV-YMCQQKJTSA-N 1 2 378.303 4.403 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000124561739 823606612 /nfs/dbraw/zinc/60/66/12/823606612.db2.gz AQHVEMNVAOVDJL-GFOCRRMGSA-N 1 2 377.410 4.115 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)C[C@@H]1n1cc[nH+]c1 ZINC000124594144 823609451 /nfs/dbraw/zinc/60/94/51/823609451.db2.gz JVKYNFIBSWHNAC-KXBFYZLASA-N 1 2 377.513 4.434 20 0 GIADLO COc1ccc(Br)cc1C[N@H+](C)Cc1nc2ccccc2nc1C ZINC000061761024 823612034 /nfs/dbraw/zinc/61/20/34/823612034.db2.gz SXHKUKIUAUSWPL-UHFFFAOYSA-N 1 2 386.293 4.341 20 0 GIADLO COc1ccc(Br)cc1C[N@@H+](C)Cc1nc2ccccc2nc1C ZINC000061761024 823612036 /nfs/dbraw/zinc/61/20/36/823612036.db2.gz SXHKUKIUAUSWPL-UHFFFAOYSA-N 1 2 386.293 4.341 20 0 GIADLO COc1ccc(CN(C(=O)C[N@H+](C)Cc2ccc(Cl)s2)C2CC2)cc1 ZINC000061759545 823612150 /nfs/dbraw/zinc/61/21/50/823612150.db2.gz CQURTGDLXWKSGN-UHFFFAOYSA-N 1 2 378.925 4.033 20 0 GIADLO COc1ccc(CN(C(=O)C[N@@H+](C)Cc2ccc(Cl)s2)C2CC2)cc1 ZINC000061759545 823612154 /nfs/dbraw/zinc/61/21/54/823612154.db2.gz CQURTGDLXWKSGN-UHFFFAOYSA-N 1 2 378.925 4.033 20 0 GIADLO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1ncc(Cl)s1)C(C)C ZINC000411978837 823617596 /nfs/dbraw/zinc/61/75/96/823617596.db2.gz DOVINPBEOYDOMG-ZDUSSCGKSA-N 1 2 386.970 4.169 20 0 GIADLO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ncc(Cl)s1)C(C)C ZINC000411978837 823617598 /nfs/dbraw/zinc/61/75/98/823617598.db2.gz DOVINPBEOYDOMG-ZDUSSCGKSA-N 1 2 386.970 4.169 20 0 GIADLO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000412060157 823625019 /nfs/dbraw/zinc/62/50/19/823625019.db2.gz DZZGZLIZILKPLA-CQSZACIVSA-N 1 2 377.510 4.132 20 0 GIADLO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000412060157 823625021 /nfs/dbraw/zinc/62/50/21/823625021.db2.gz DZZGZLIZILKPLA-CQSZACIVSA-N 1 2 377.510 4.132 20 0 GIADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c1 ZINC000124804722 823627590 /nfs/dbraw/zinc/62/75/90/823627590.db2.gz XSBSSFKMZZVRIK-OAHLLOKOSA-N 1 2 395.478 4.368 20 0 GIADLO CC1(C)CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[C@@H]1C(F)(F)F ZINC000190941515 823627767 /nfs/dbraw/zinc/62/77/67/823627767.db2.gz UYNLZEXTABOYPJ-KRWDZBQOSA-N 1 2 394.441 4.051 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Nc2ccc(O)c(Cl)c2)C[C@H](C)O1 ZINC000190943774 823628177 /nfs/dbraw/zinc/62/81/77/823628177.db2.gz RQDADMDPBHMKMI-OKILXGFUSA-N 1 2 389.883 4.299 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Nc2ccc(O)c(Cl)c2)C[C@H](C)O1 ZINC000190943774 823628180 /nfs/dbraw/zinc/62/81/80/823628180.db2.gz RQDADMDPBHMKMI-OKILXGFUSA-N 1 2 389.883 4.299 20 0 GIADLO COc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1OCC(C)C ZINC000461397321 823629357 /nfs/dbraw/zinc/62/93/57/823629357.db2.gz ADRFITLEULSMLA-UHFFFAOYSA-N 1 2 377.488 4.477 20 0 GIADLO Cn1cc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c(-c2ccccc2Cl)n1 ZINC000461404946 823630424 /nfs/dbraw/zinc/63/04/24/823630424.db2.gz FNMXIKHSQWULKK-UHFFFAOYSA-N 1 2 389.890 4.487 20 0 GIADLO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124861010 823631839 /nfs/dbraw/zinc/63/18/39/823631839.db2.gz PSOCPQXQCXVBNF-CXAGYDPISA-N 1 2 384.867 4.223 20 0 GIADLO Cc1nn(CCO)c(C)c1C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000062422439 823634756 /nfs/dbraw/zinc/63/47/56/823634756.db2.gz IROBHEROETUWPZ-NRFANRHFSA-N 1 2 387.886 4.164 20 0 GIADLO C[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1ccc(Oc2ccccc2)c(F)c1 ZINC000191028669 823639799 /nfs/dbraw/zinc/63/97/99/823639799.db2.gz RWNZVCVLLMTPKN-GFCCVEGCSA-N 1 2 395.360 4.018 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(F)F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000412254065 823640087 /nfs/dbraw/zinc/64/00/87/823640087.db2.gz XUZMNGZFLHMEGY-BBRMVZONSA-N 1 2 378.385 4.037 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)CC(F)F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000412254065 823640089 /nfs/dbraw/zinc/64/00/89/823640089.db2.gz XUZMNGZFLHMEGY-BBRMVZONSA-N 1 2 378.385 4.037 20 0 GIADLO COc1cc(Cl)c(F)c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000412319950 823646136 /nfs/dbraw/zinc/64/61/36/823646136.db2.gz LCYOKKQLYXKYAJ-CYBMUJFWSA-N 1 2 391.874 4.040 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2[C@H](C)CC(O)C[C@@H]2C)cs1)c1ccc(C)cc1C ZINC000191179808 823656953 /nfs/dbraw/zinc/65/69/53/823656953.db2.gz XXTITPUBOSAHBB-MCPYQZEQSA-N 1 2 387.549 4.178 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2[C@H](C)CC(O)C[C@@H]2C)cs1)c1ccc(C)cc1C ZINC000191179808 823656957 /nfs/dbraw/zinc/65/69/57/823656957.db2.gz XXTITPUBOSAHBB-MCPYQZEQSA-N 1 2 387.549 4.178 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2O)C[C@H]1n1cc[nH+]c1 ZINC000125185400 823657507 /nfs/dbraw/zinc/65/75/07/823657507.db2.gz ZTYRSUMNBYCVFL-PGRDOPGGSA-N 1 2 389.499 4.097 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000063322251 823662456 /nfs/dbraw/zinc/66/24/56/823662456.db2.gz HPKBGVRADCNDSJ-JXFKEZNVSA-N 1 2 382.895 4.208 20 0 GIADLO CCn1c(-c2ccncc2)nn(C[N@H+](C)CCCc2ccc(OC)cc2)c1=S ZINC000125275380 823664209 /nfs/dbraw/zinc/66/42/09/823664209.db2.gz VKBUPIRSBSTLBE-UHFFFAOYSA-N 1 2 397.548 4.027 20 0 GIADLO CCn1c(-c2ccncc2)nn(C[N@@H+](C)CCCc2ccc(OC)cc2)c1=S ZINC000125275380 823664212 /nfs/dbraw/zinc/66/42/12/823664212.db2.gz VKBUPIRSBSTLBE-UHFFFAOYSA-N 1 2 397.548 4.027 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(Cc2ccccc2)C2CC2)C[C@H](C)O1 ZINC000125283581 823664886 /nfs/dbraw/zinc/66/48/86/823664886.db2.gz RPKPFNJXELCIKO-KDURUIRLSA-N 1 2 393.531 4.492 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(Cc2ccccc2)C2CC2)C[C@H](C)O1 ZINC000125283581 823664890 /nfs/dbraw/zinc/66/48/90/823664890.db2.gz RPKPFNJXELCIKO-KDURUIRLSA-N 1 2 393.531 4.492 20 0 GIADLO C[C@@H]1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000125317848 823667420 /nfs/dbraw/zinc/66/74/20/823667420.db2.gz HEJOPMJQQULWNF-ZBFHGGJFSA-N 1 2 396.318 4.459 20 0 GIADLO CC[N@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)Cc1ccccn1 ZINC000125344678 823669518 /nfs/dbraw/zinc/66/95/18/823669518.db2.gz URONWUMPDTXNLK-UHFFFAOYSA-N 1 2 392.528 4.230 20 0 GIADLO CC[N@@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)Cc1ccccn1 ZINC000125344678 823669522 /nfs/dbraw/zinc/66/95/22/823669522.db2.gz URONWUMPDTXNLK-UHFFFAOYSA-N 1 2 392.528 4.230 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCCc2sccc21 ZINC000125383172 823672113 /nfs/dbraw/zinc/67/21/13/823672113.db2.gz SOZJCYBSZGIRIQ-IBGZPJMESA-N 1 2 383.561 4.328 20 0 GIADLO C[C@@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccc(OC(F)F)cc1 ZINC000125397879 823673183 /nfs/dbraw/zinc/67/31/83/823673183.db2.gz GZDVIIWYAOXTMP-LLVKDONJSA-N 1 2 385.370 4.122 20 0 GIADLO CC(C)(C)c1nnsc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000191373379 823678034 /nfs/dbraw/zinc/67/80/34/823678034.db2.gz ATOAWZISEOUXTC-UHFFFAOYSA-N 1 2 381.505 4.288 20 0 GIADLO Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)o2)c(C)c1 ZINC000125468289 823678724 /nfs/dbraw/zinc/67/87/24/823678724.db2.gz YXHWQBSHUGOXTM-PXNSSMCTSA-N 1 2 393.487 4.395 20 0 GIADLO CC(C)Cc1nc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000063595282 823682016 /nfs/dbraw/zinc/68/20/16/823682016.db2.gz BXVNJYZKLRQQMV-IYBDPMFKSA-N 1 2 387.549 4.203 20 0 GIADLO CC(C)Cc1nc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000063595282 823682017 /nfs/dbraw/zinc/68/20/17/823682017.db2.gz BXVNJYZKLRQQMV-IYBDPMFKSA-N 1 2 387.549 4.203 20 0 GIADLO Cc1nc2cc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)ccc2n1-c1ccccc1 ZINC000125543218 823684019 /nfs/dbraw/zinc/68/40/19/823684019.db2.gz DXCVFQATRXOTAU-UZUQRXQVSA-N 1 2 399.498 4.254 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000125556953 823684976 /nfs/dbraw/zinc/68/49/76/823684976.db2.gz MKSPWKFXSDNRGS-RBUKOAKNSA-N 1 2 384.911 4.081 20 0 GIADLO CC(C)Cc1nc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cs1 ZINC000063656589 823687164 /nfs/dbraw/zinc/68/71/64/823687164.db2.gz UFDYRSBARUASNA-CYBMUJFWSA-N 1 2 378.567 4.282 20 0 GIADLO CC(C)Cc1nc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cs1 ZINC000063656589 823687168 /nfs/dbraw/zinc/68/71/68/823687168.db2.gz UFDYRSBARUASNA-CYBMUJFWSA-N 1 2 378.567 4.282 20 0 GIADLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000125616642 823690249 /nfs/dbraw/zinc/69/02/49/823690249.db2.gz UZMXNFVVTNGYPW-MRXNPFEDSA-N 1 2 377.872 4.014 20 0 GIADLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000125616642 823690251 /nfs/dbraw/zinc/69/02/51/823690251.db2.gz UZMXNFVVTNGYPW-MRXNPFEDSA-N 1 2 377.872 4.014 20 0 GIADLO c1cc2c(ncnc2N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)s1 ZINC000125639775 823692416 /nfs/dbraw/zinc/69/24/16/823692416.db2.gz UKMWZEXWRXMMPL-UHFFFAOYSA-N 1 2 385.562 4.128 20 0 GIADLO CCCC[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1F ZINC000063755193 823693737 /nfs/dbraw/zinc/69/37/37/823693737.db2.gz UDVUECBPQWCAJP-UHFFFAOYSA-N 1 2 397.494 4.193 20 0 GIADLO CCCC[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1F ZINC000063755193 823693741 /nfs/dbraw/zinc/69/37/41/823693741.db2.gz UDVUECBPQWCAJP-UHFFFAOYSA-N 1 2 397.494 4.193 20 0 GIADLO C[C@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000461786289 823695121 /nfs/dbraw/zinc/69/51/21/823695121.db2.gz FAKMXRXOXKKTFU-HNNXBMFYSA-N 1 2 398.304 4.114 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCC1(c2ccccc2Cl)CC1 ZINC000125668355 823695152 /nfs/dbraw/zinc/69/51/52/823695152.db2.gz JNPADZICCLGJQD-UHFFFAOYSA-N 1 2 394.906 4.116 20 0 GIADLO CC(C)(CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000063808434 823698729 /nfs/dbraw/zinc/69/87/29/823698729.db2.gz BHQKJNADNZWSDL-UHFFFAOYSA-N 1 2 396.922 4.362 20 0 GIADLO COc1ccc(-c2ccc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c(F)c2)cc1 ZINC000125709387 823698846 /nfs/dbraw/zinc/69/88/46/823698846.db2.gz HBGWVYIYWCBSMD-KSFYIVLOSA-N 1 2 393.462 4.421 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)n2)c1 ZINC000191564759 823700664 /nfs/dbraw/zinc/70/06/64/823700664.db2.gz RHDQFOJSQMBKKD-CQSZACIVSA-N 1 2 395.459 4.241 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3c[nH]nc3-c3cccc(C)c3)n2)c1 ZINC000191567177 823700987 /nfs/dbraw/zinc/70/09/87/823700987.db2.gz YUAJAHLSOOIVQM-OAHLLOKOSA-N 1 2 389.459 4.295 20 0 GIADLO COc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000191581456 823703933 /nfs/dbraw/zinc/70/39/33/823703933.db2.gz CGLXGZQFHKONSR-CQSZACIVSA-N 1 2 381.480 4.367 20 0 GIADLO COc1cc([C@@H](C)Nc2cc(NC3CC3)[nH+]cn2)ccc1OCc1ccncc1 ZINC000413079383 823704209 /nfs/dbraw/zinc/70/42/09/823704209.db2.gz OFZFTUDFMQSRMR-OAHLLOKOSA-N 1 2 391.475 4.207 20 0 GIADLO COc1cc([C@@H](C)Nc2cc(NC3CC3)nc[nH+]2)ccc1OCc1ccncc1 ZINC000413079383 823704212 /nfs/dbraw/zinc/70/42/12/823704212.db2.gz OFZFTUDFMQSRMR-OAHLLOKOSA-N 1 2 391.475 4.207 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)c2cn(C(C)C)nc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574337928 823704905 /nfs/dbraw/zinc/70/49/05/823704905.db2.gz NCMUFDOUCPBTRX-RBUKOAKNSA-N 1 2 392.906 4.130 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)c2cn(C(C)C)nc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574337928 823704908 /nfs/dbraw/zinc/70/49/08/823704908.db2.gz NCMUFDOUCPBTRX-RBUKOAKNSA-N 1 2 392.906 4.130 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(Oc4ccccc4)cc3)[nH+]cn2)C1 ZINC000413098460 823706693 /nfs/dbraw/zinc/70/66/93/823706693.db2.gz AOWNNYDRNGBGEC-MJGOQNOKSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(Oc4ccccc4)cc3)nc[nH+]2)C1 ZINC000413098460 823706694 /nfs/dbraw/zinc/70/66/94/823706694.db2.gz AOWNNYDRNGBGEC-MJGOQNOKSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccccc3Oc3ccccc3)[nH+]cn2)C1 ZINC000413105555 823707950 /nfs/dbraw/zinc/70/79/50/823707950.db2.gz ZHIPTLZKADIRGX-IEBWSBKVSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccccc3Oc3ccccc3)nc[nH+]2)C1 ZINC000413105555 823707954 /nfs/dbraw/zinc/70/79/54/823707954.db2.gz ZHIPTLZKADIRGX-IEBWSBKVSA-N 1 2 390.487 4.088 20 0 GIADLO Clc1ccc(-c2cncc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)c2)cc1 ZINC000574360246 823708442 /nfs/dbraw/zinc/70/84/42/823708442.db2.gz FRKUNANMESJELB-RBUKOAKNSA-N 1 2 396.878 4.378 20 0 GIADLO Clc1ccc(-c2cncc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)c2)cc1 ZINC000574360246 823708445 /nfs/dbraw/zinc/70/84/45/823708445.db2.gz FRKUNANMESJELB-RBUKOAKNSA-N 1 2 396.878 4.378 20 0 GIADLO CCCC(=O)NC[C@@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413113616 823709341 /nfs/dbraw/zinc/70/93/41/823709341.db2.gz SBARTPSENAWXHS-AWEZNQCLSA-N 1 2 390.325 4.130 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000063915927 823711111 /nfs/dbraw/zinc/71/11/11/823711111.db2.gz GFRDELQPRFMOCO-UHFFFAOYSA-N 1 2 386.908 4.190 20 0 GIADLO CN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000413125968 823711189 /nfs/dbraw/zinc/71/11/89/823711189.db2.gz RPHQDKSAXIFCCA-YADHBBJMSA-N 1 2 392.547 4.418 20 0 GIADLO CN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000413124435 823711207 /nfs/dbraw/zinc/71/12/07/823711207.db2.gz ORDCFNKRFPRALI-RTWAWAEBSA-N 1 2 380.536 4.130 20 0 GIADLO CCOc1cc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)cc(Cl)c1O ZINC000574378959 823713964 /nfs/dbraw/zinc/71/39/64/823713964.db2.gz OEIMMCJKENWTDD-UHFFFAOYSA-N 1 2 389.927 4.357 20 0 GIADLO Cc1nc(COc2ccc(C[N@H+](Cc3c(F)cccc3F)C3CC3)cc2)no1 ZINC000191624468 823716922 /nfs/dbraw/zinc/71/69/22/823716922.db2.gz HBIPXLMGWLTNLG-UHFFFAOYSA-N 1 2 385.414 4.400 20 0 GIADLO Cc1nc(COc2ccc(C[N@@H+](Cc3c(F)cccc3F)C3CC3)cc2)no1 ZINC000191624468 823716930 /nfs/dbraw/zinc/71/69/30/823716930.db2.gz HBIPXLMGWLTNLG-UHFFFAOYSA-N 1 2 385.414 4.400 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(c2ccncc2)CC1 ZINC000191635460 823720639 /nfs/dbraw/zinc/72/06/39/823720639.db2.gz OTARTFDBGMHVSN-AWEZNQCLSA-N 1 2 388.309 4.051 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(c2ccncc2)CC1 ZINC000191635479 823720716 /nfs/dbraw/zinc/72/07/16/823720716.db2.gz OTARTFDBGMHVSN-CQSZACIVSA-N 1 2 388.309 4.051 20 0 GIADLO O=C(c1cncc(C(F)(F)F)c1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000574434669 823728208 /nfs/dbraw/zinc/72/82/08/823728208.db2.gz JXTRPBXISJJRDG-UHFFFAOYSA-N 1 2 397.828 4.102 20 0 GIADLO O=C(c1cncc(C(F)(F)F)c1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000574434669 823728210 /nfs/dbraw/zinc/72/82/10/823728210.db2.gz JXTRPBXISJJRDG-UHFFFAOYSA-N 1 2 397.828 4.102 20 0 GIADLO O=C(Nc1cc2c(cc1Cl)OCCO2)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461868892 823729787 /nfs/dbraw/zinc/72/97/87/823729787.db2.gz WAIQKTUMLDDJSH-GOSISDBHSA-N 1 2 386.879 4.104 20 0 GIADLO O=C(Nc1cc2c(cc1Cl)OCCO2)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000461868892 823729790 /nfs/dbraw/zinc/72/97/90/823729790.db2.gz WAIQKTUMLDDJSH-GOSISDBHSA-N 1 2 386.879 4.104 20 0 GIADLO COc1ccc(-c2nc(C[NH+]3CCC(Oc4ccc(F)nc4)CC3)cs2)cc1 ZINC000191677894 823730104 /nfs/dbraw/zinc/73/01/04/823730104.db2.gz MPKKERUKTBJCCM-UHFFFAOYSA-N 1 2 399.491 4.396 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000125882557 823736855 /nfs/dbraw/zinc/73/68/55/823736855.db2.gz JXKWFIYMXJQJGG-QFBILLFUSA-N 1 2 398.869 4.079 20 0 GIADLO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC(C)C ZINC000125892668 823738619 /nfs/dbraw/zinc/73/86/19/823738619.db2.gz CZNHJLGWFCLXMP-INIZCTEOSA-N 1 2 391.533 4.079 20 0 GIADLO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC(C)C ZINC000125892668 823738627 /nfs/dbraw/zinc/73/86/27/823738627.db2.gz CZNHJLGWFCLXMP-INIZCTEOSA-N 1 2 391.533 4.079 20 0 GIADLO CCOCc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000125929933 823747151 /nfs/dbraw/zinc/74/71/51/823747151.db2.gz UNKDYORSLLDPSV-YADHBBJMSA-N 1 2 390.487 4.470 20 0 GIADLO CC(C)Oc1ccccc1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574501310 823749537 /nfs/dbraw/zinc/74/95/37/823749537.db2.gz RROITJDVQJPNJQ-IBGZPJMESA-N 1 2 396.535 4.096 20 0 GIADLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(OC(F)F)cc3)CC2)cc1F ZINC000064142455 823754266 /nfs/dbraw/zinc/75/42/66/823754266.db2.gz ILAYTDBEXDMRLF-OAHLLOKOSA-N 1 2 392.421 4.255 20 0 GIADLO C[N@H+](Cc1cnc(-c2ccccc2)s1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191759950 823758936 /nfs/dbraw/zinc/75/89/36/823758936.db2.gz CKKDCYZQRCXSDF-FQEVSTJZSA-N 1 2 377.513 4.043 20 0 GIADLO C[N@@H+](Cc1cnc(-c2ccccc2)s1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191759950 823758941 /nfs/dbraw/zinc/75/89/41/823758941.db2.gz CKKDCYZQRCXSDF-FQEVSTJZSA-N 1 2 377.513 4.043 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C)cc1Br ZINC000191779459 823765560 /nfs/dbraw/zinc/76/55/60/823765560.db2.gz UHQMHRCSCRRLPK-UHFFFAOYSA-N 1 2 393.329 4.461 20 0 GIADLO COC(=O)c1cccc(C[NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)c1 ZINC000126017147 823767165 /nfs/dbraw/zinc/76/71/65/823767165.db2.gz UNKHXUSJSRZAFX-QFIPXVFZSA-N 1 2 385.467 4.239 20 0 GIADLO COc1cccc2c(N3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)cc[nH+]c12 ZINC000413396586 823767852 /nfs/dbraw/zinc/76/78/52/823767852.db2.gz IYFRJWMGAOUZAL-QGZVFWFLSA-N 1 2 380.410 4.429 20 0 GIADLO C[C@@H]1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)C[C@@H]1n1cc[nH+]c1 ZINC000126021425 823768455 /nfs/dbraw/zinc/76/84/55/823768455.db2.gz QGLUYJABWFFBFB-UZLBHIALSA-N 1 2 381.451 4.325 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@]1(C)CCCc2ccccc21 ZINC000126096729 823786316 /nfs/dbraw/zinc/78/63/16/823786316.db2.gz LNDUVQAVPOCGIO-XMMPIXPASA-N 1 2 378.516 4.060 20 0 GIADLO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000164227558 823787408 /nfs/dbraw/zinc/78/74/08/823787408.db2.gz OLJBIGIVNWWFGJ-AWEZNQCLSA-N 1 2 382.907 4.301 20 0 GIADLO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000164227558 823787417 /nfs/dbraw/zinc/78/74/17/823787417.db2.gz OLJBIGIVNWWFGJ-AWEZNQCLSA-N 1 2 382.907 4.301 20 0 GIADLO Cc1nc(-c2ccccc2)sc1CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461995969 823787863 /nfs/dbraw/zinc/78/78/63/823787863.db2.gz OWFJNRRTVHJHAF-LJQANCHMSA-N 1 2 377.513 4.009 20 0 GIADLO Cc1nc(-c2ccccc2)sc1CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000461995969 823787872 /nfs/dbraw/zinc/78/78/72/823787872.db2.gz OWFJNRRTVHJHAF-LJQANCHMSA-N 1 2 377.513 4.009 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000126126738 823794586 /nfs/dbraw/zinc/79/45/86/823794586.db2.gz NKZJMAHYXBQDDT-UHFFFAOYSA-N 1 2 391.515 4.270 20 0 GIADLO Cc1c2ccccc2sc1C(=O)N1CC[NH+](CCCc2cnccc2C)CC1 ZINC000574675018 823797465 /nfs/dbraw/zinc/79/74/65/823797465.db2.gz CETVGFXFCTYQAM-UHFFFAOYSA-N 1 2 393.556 4.304 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000164412903 823801702 /nfs/dbraw/zinc/80/17/02/823801702.db2.gz FMXQJSUWVZAVON-VLIAUNLRSA-N 1 2 390.886 4.252 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000164601640 823811480 /nfs/dbraw/zinc/81/14/80/823811480.db2.gz FNJOPCBAFKSXKP-LEWJYISDSA-N 1 2 379.504 4.076 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000126224155 823815462 /nfs/dbraw/zinc/81/54/62/823815462.db2.gz YZBQFZKKSBBDLA-DLBZAZTESA-N 1 2 384.442 4.134 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000126223497 823815632 /nfs/dbraw/zinc/81/56/32/823815632.db2.gz YZBQFZKKSBBDLA-SJORKVTESA-N 1 2 384.442 4.134 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+](C[C@H]2CCOC2)C2CC2)cs1 ZINC000164812860 823821015 /nfs/dbraw/zinc/82/10/15/823821015.db2.gz AXWNFLMMZARRGR-QGZVFWFLSA-N 1 2 399.560 4.391 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cs1 ZINC000164812860 823821025 /nfs/dbraw/zinc/82/10/25/823821025.db2.gz AXWNFLMMZARRGR-QGZVFWFLSA-N 1 2 399.560 4.391 20 0 GIADLO CCCc1c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cnn1-c1ccc(F)cc1 ZINC000191952426 823822169 /nfs/dbraw/zinc/82/21/69/823822169.db2.gz UHCMLSNDOVESKM-UHFFFAOYSA-N 1 2 396.470 4.029 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000126266663 823824555 /nfs/dbraw/zinc/82/45/55/823824555.db2.gz TXSSAJTWXSKDJX-BVYCBKJFSA-N 1 2 375.472 4.113 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCc1cc(Cl)cs1 ZINC000126284085 823829562 /nfs/dbraw/zinc/82/95/62/823829562.db2.gz PMWDTQWTHDHHAL-UHFFFAOYSA-N 1 2 378.925 4.113 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000126302899 823834151 /nfs/dbraw/zinc/83/41/51/823834151.db2.gz BDVHPEJBNOPCAT-UHFFFAOYSA-N 1 2 396.384 4.237 20 0 GIADLO Cc1cccc(CSCC(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC000126321234 823839233 /nfs/dbraw/zinc/83/92/33/823839233.db2.gz IUJQBZACTRPMLZ-UHFFFAOYSA-N 1 2 384.545 4.008 20 0 GIADLO C[C@@H]1CCN(C(=O)CCOc2ccccc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000126321115 823839478 /nfs/dbraw/zinc/83/94/78/823839478.db2.gz NTYZHMRLHZBMSZ-KNQAVFIVSA-N 1 2 389.499 4.429 20 0 GIADLO CC(C)CCOc1cccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000064547270 823841279 /nfs/dbraw/zinc/84/12/79/823841279.db2.gz OUJPXXOBAPHZKW-UHFFFAOYSA-N 1 2 382.508 4.297 20 0 GIADLO CC(C)C(=O)N1CCC[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000165401547 823847514 /nfs/dbraw/zinc/84/75/14/823847514.db2.gz QQCFSIVBKHAAGI-UHFFFAOYSA-N 1 2 395.425 4.051 20 0 GIADLO CC(C)C(=O)N1CCC[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000165401547 823847516 /nfs/dbraw/zinc/84/75/16/823847516.db2.gz QQCFSIVBKHAAGI-UHFFFAOYSA-N 1 2 395.425 4.051 20 0 GIADLO Cn1c[nH+]cc1CNC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000462157555 823848291 /nfs/dbraw/zinc/84/82/91/823848291.db2.gz OXMGKCRUKPEVFP-FQEVSTJZSA-N 1 2 380.879 4.083 20 0 GIADLO Cc1cc(NC(=O)C[NH2+][C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)on1 ZINC000462172109 823852900 /nfs/dbraw/zinc/85/29/00/823852900.db2.gz SOWCANRWXFGANH-HXUWFJFHSA-N 1 2 387.842 4.402 20 0 GIADLO Fc1cc([C@@H]2OCC[C@H]2[NH2+]Cc2noc(-c3ccsc3)n2)ccc1Cl ZINC000192101812 823860604 /nfs/dbraw/zinc/86/06/04/823860604.db2.gz NZVKXJWWZNNVSR-ZBFHGGJFSA-N 1 2 379.844 4.210 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCCC[C@H]2[C@H](C)O)cs1)c1cccc(Cl)c1 ZINC000165720670 823860990 /nfs/dbraw/zinc/86/09/90/823860990.db2.gz OCWVZVRKFNLTME-UGSOOPFHSA-N 1 2 393.940 4.216 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCCC[C@H]2[C@H](C)O)cs1)c1cccc(Cl)c1 ZINC000165720670 823861001 /nfs/dbraw/zinc/86/10/01/823861001.db2.gz OCWVZVRKFNLTME-UGSOOPFHSA-N 1 2 393.940 4.216 20 0 GIADLO Cc1ccccc1-c1nc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)no1 ZINC000192105573 823861745 /nfs/dbraw/zinc/86/17/45/823861745.db2.gz ZXVFTGUTIMXVRT-IEBWSBKVSA-N 1 2 387.842 4.457 20 0 GIADLO CC(C)CCOc1cccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000165841939 823864129 /nfs/dbraw/zinc/86/41/29/823864129.db2.gz FHIIJIOFTJOAJB-GOSISDBHSA-N 1 2 384.524 4.332 20 0 GIADLO COc1cccc(C[NH2+][C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)c1OC ZINC000165939677 823866566 /nfs/dbraw/zinc/86/65/66/823866566.db2.gz FPSFSNMKFBGPQX-CYBMUJFWSA-N 1 2 386.883 4.097 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c[nH+]1 ZINC000574967119 823875519 /nfs/dbraw/zinc/87/55/19/823875519.db2.gz DLPZGSTXXFRENM-MRXNPFEDSA-N 1 2 380.517 4.397 20 0 GIADLO Cc1ccc([C@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1F ZINC000462230187 823884080 /nfs/dbraw/zinc/88/40/80/823884080.db2.gz ZFNKAJCGCJGTCE-JKSUJKDBSA-N 1 2 375.513 4.345 20 0 GIADLO COc1cccc([C@@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)c2ccccc2Cl)c1 ZINC000462241156 823891999 /nfs/dbraw/zinc/89/19/99/823891999.db2.gz YPHOFENJJXIGSR-KSFYIVLOSA-N 1 2 386.923 4.286 20 0 GIADLO C[C@H]1CCN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000126543760 823894807 /nfs/dbraw/zinc/89/48/07/823894807.db2.gz DHNPMLUKOLEFBL-WMLDXEAASA-N 1 2 390.325 4.033 20 0 GIADLO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCS[C@H](C)CC2)cs1 ZINC000192185366 823895992 /nfs/dbraw/zinc/89/59/92/823895992.db2.gz PPWVVCNROVPCNU-CQSZACIVSA-N 1 2 391.562 4.164 20 0 GIADLO COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCS[C@H](C)CC2)cs1 ZINC000192185366 823895999 /nfs/dbraw/zinc/89/59/99/823895999.db2.gz PPWVVCNROVPCNU-CQSZACIVSA-N 1 2 391.562 4.164 20 0 GIADLO Cc1ccccc1Cn1c(NCc2cc(C(N)=O)cs2)[nH+]c2ccccc21 ZINC000167836946 823896312 /nfs/dbraw/zinc/89/63/12/823896312.db2.gz IVBXIWFPRFZPIM-UHFFFAOYSA-N 1 2 376.485 4.166 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(Br)c(F)cc1F ZINC000192186910 823896439 /nfs/dbraw/zinc/89/64/39/823896439.db2.gz FYUYJLVEEYNASM-UHFFFAOYSA-N 1 2 378.176 4.165 20 0 GIADLO COc1ccc2cc(NC(=O)N3CC[NH+]([C@H](C)c4ccsc4)CC3)ccc2n1 ZINC000462248767 823897359 /nfs/dbraw/zinc/89/73/59/823897359.db2.gz SHCPCTKGGWPNRP-OAHLLOKOSA-N 1 2 396.516 4.216 20 0 GIADLO CCN(CC)C(=O)c1ccc(NC(=O)COc2cc(C)[nH+]c3ccccc32)cc1 ZINC000192191770 823897659 /nfs/dbraw/zinc/89/76/59/823897659.db2.gz OWLTXVIAKDUORT-UHFFFAOYSA-N 1 2 391.471 4.043 20 0 GIADLO COC(=O)c1cc(C[NH2+]C(c2ccc(OC)cc2)c2ccc(OC)cc2)oc1C ZINC000126563796 823899588 /nfs/dbraw/zinc/89/95/88/823899588.db2.gz YHDDPHYQJIPJKV-UHFFFAOYSA-N 1 2 395.455 4.271 20 0 GIADLO CC(C)OCc1c2ccccc2oc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000126565190 823900262 /nfs/dbraw/zinc/90/02/62/823900262.db2.gz JFSVUAHQFXKMHQ-VQIMIIECSA-N 1 2 381.476 4.278 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000192249168 823916314 /nfs/dbraw/zinc/91/63/14/823916314.db2.gz KUQBFPVLJDFSQP-UHFFFAOYSA-N 1 2 378.520 4.358 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000192251304 823916885 /nfs/dbraw/zinc/91/68/85/823916885.db2.gz YIHRSMZLDXDEHQ-CQSZACIVSA-N 1 2 398.334 4.458 20 0 GIADLO Cc1ccc(C(=O)N2CC[NH+](CCOc3cccc4ccccc43)CC2)s1 ZINC000064953839 823917444 /nfs/dbraw/zinc/91/74/44/823917444.db2.gz XPUBOTUCWOVYSN-UHFFFAOYSA-N 1 2 380.513 4.047 20 0 GIADLO C[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1csc(-c2ccccc2)n1 ZINC000414138377 823917470 /nfs/dbraw/zinc/91/74/70/823917470.db2.gz GUFCXCXGDYPEGG-IAGOWNOFSA-N 1 2 395.528 4.471 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ncoc1-c1ccccc1Cl ZINC000192254730 823918101 /nfs/dbraw/zinc/91/81/01/823918101.db2.gz DNBHWNUJXUHXJK-UHFFFAOYSA-N 1 2 386.883 4.306 20 0 GIADLO O=C1CCCCN1C1CC[NH+](Cn2c3cc(Cl)ccc3oc2=S)CC1 ZINC000126643706 823918415 /nfs/dbraw/zinc/91/84/15/823918415.db2.gz VUGNYAHDBIYXMJ-UHFFFAOYSA-N 1 2 379.913 4.052 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)c1ccc(Br)s1 ZINC000192256591 823918892 /nfs/dbraw/zinc/91/88/92/823918892.db2.gz XOGVXSKDNBBFDI-CYBMUJFWSA-N 1 2 398.370 4.312 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Cc2ccccc2)ccc1O ZINC000192256211 823918978 /nfs/dbraw/zinc/91/89/78/823918978.db2.gz PLRHFYZQHOUAET-UHFFFAOYSA-N 1 2 391.515 4.294 20 0 GIADLO CCC[C@H](C)c1cc(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)n[nH]1 ZINC000192257331 823919348 /nfs/dbraw/zinc/91/93/48/823919348.db2.gz HJEVCNKLQVJBSQ-HNNXBMFYSA-N 1 2 382.468 4.233 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(-c2ccsc2)nc1C ZINC000192258922 823920154 /nfs/dbraw/zinc/92/01/54/823920154.db2.gz XNBMVDBQCUHERD-UHFFFAOYSA-N 1 2 382.533 4.430 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2c(F)cccc2Cl)CC1 ZINC000462312235 823921578 /nfs/dbraw/zinc/92/15/78/823921578.db2.gz FZKCZDQBLBQLHE-ZDUSSCGKSA-N 1 2 381.904 4.129 20 0 GIADLO O=C(NC1CC[NH+](Cc2ccc(Br)cc2F)CC1)c1ccsc1 ZINC000064991716 823921923 /nfs/dbraw/zinc/92/19/23/823921923.db2.gz LTEHPQWVAIWCLH-UHFFFAOYSA-N 1 2 397.313 4.044 20 0 GIADLO C[C@H]1C[C@@]1(NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(Cl)cc1 ZINC000575149581 823923890 /nfs/dbraw/zinc/92/38/90/823923890.db2.gz KUOJRSIUZOFYRL-XOBRGWDASA-N 1 2 381.867 4.037 20 0 GIADLO O=C(C[NH+]1CCC(Nc2ccc(F)cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000170651318 823927396 /nfs/dbraw/zinc/92/73/96/823927396.db2.gz QVHNFPIQQBWZFQ-UHFFFAOYSA-N 1 2 395.400 4.360 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000192283211 823932297 /nfs/dbraw/zinc/93/22/97/823932297.db2.gz WWSIURSWOHFDOI-UHFFFAOYSA-N 1 2 382.552 4.379 20 0 GIADLO Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414232568 823934520 /nfs/dbraw/zinc/93/45/20/823934520.db2.gz CZTHKQFHICNLQD-LBPRGKRZSA-N 1 2 390.178 4.174 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000575193504 823935035 /nfs/dbraw/zinc/93/50/35/823935035.db2.gz IOMXZTWJXDUBGM-QMTHXVAHSA-N 1 2 393.331 4.417 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000575193504 823935045 /nfs/dbraw/zinc/93/50/45/823935045.db2.gz IOMXZTWJXDUBGM-QMTHXVAHSA-N 1 2 393.331 4.417 20 0 GIADLO CCCC[C@@H]([NH2+][C@@H](C)c1cc(C)on1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000575237293 823948712 /nfs/dbraw/zinc/94/87/12/823948712.db2.gz MMGKSUXMXVHHFG-FXAWDEMLSA-N 1 2 384.524 4.431 20 0 GIADLO COc1ccc(-c2noc(C[NH+]3CCC(c4ncccc4Cl)CC3)n2)cc1 ZINC000575239225 823949167 /nfs/dbraw/zinc/94/91/67/823949167.db2.gz LAAYEPJKNRKGLP-UHFFFAOYSA-N 1 2 384.867 4.173 20 0 GIADLO COc1c(C)c[nH+]c(CSc2n[nH]c(COc3ccc(Cl)cc3)n2)c1C ZINC000126781254 823950016 /nfs/dbraw/zinc/95/00/16/823950016.db2.gz GILRDWIYUBONJW-UHFFFAOYSA-N 1 2 390.896 4.350 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1)c1csnn1 ZINC000414292936 823953043 /nfs/dbraw/zinc/95/30/43/823953043.db2.gz CLDFUDRNFHYACX-LSDHHAIUSA-N 1 2 379.489 4.177 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000462421849 823968904 /nfs/dbraw/zinc/96/89/04/823968904.db2.gz ZKPKUBBYWGQFBY-LBPRGKRZSA-N 1 2 398.454 4.023 20 0 GIADLO FC(F)(F)c1ccnc(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)n1 ZINC000414500216 823996401 /nfs/dbraw/zinc/99/64/01/823996401.db2.gz BWYJSLBGIWVENJ-UHFFFAOYSA-N 1 2 390.192 4.368 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192461834 823999862 /nfs/dbraw/zinc/99/98/62/823999862.db2.gz BIJWVXGPUSLXLC-UHFFFAOYSA-N 1 2 382.479 4.230 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC1(c2ccc(F)cc2)CCCC1 ZINC000170890952 824001561 /nfs/dbraw/zinc/00/15/61/824001561.db2.gz GNJXHBWZHHVXGF-UHFFFAOYSA-N 1 2 392.478 4.339 20 0 GIADLO CC(C)c1nc(CCNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cs1 ZINC000575818014 824002985 /nfs/dbraw/zinc/00/29/85/824002985.db2.gz WDJNALUVZJCMOH-UHFFFAOYSA-N 1 2 393.582 4.073 20 0 GIADLO O=C(NCCn1cc[nH+]c1)c1cc(-c2nc3ccccc3s2)nc2ccccc21 ZINC000192572053 824035848 /nfs/dbraw/zinc/03/58/48/824035848.db2.gz XCDSACSCELBUAZ-UHFFFAOYSA-N 1 2 399.479 4.138 20 0 GIADLO CS[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000414955020 824053627 /nfs/dbraw/zinc/05/36/27/824053627.db2.gz TXKIQPQOXVLNOQ-LZJOCLMNSA-N 1 2 384.545 4.339 20 0 GIADLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797165 205111098 /nfs/dbraw/zinc/11/10/98/205111098.db2.gz KYLYVVRCDQAPHK-UHFFFAOYSA-N 1 2 394.506 4.000 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2ccnc(N3CCCC3)c2)no1)c1ccc(Cl)cc1 ZINC000570526928 823050079 /nfs/dbraw/zinc/05/00/79/823050079.db2.gz FMSIBYQTLFXIFK-GOSISDBHSA-N 1 2 383.883 4.036 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccc(F)cc1Cl ZINC000175838014 823052116 /nfs/dbraw/zinc/05/21/16/823052116.db2.gz XSZLSCKTUOCKEW-CJNGLKHVSA-N 1 2 382.888 4.067 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccc(F)cc1Cl ZINC000175838014 823052119 /nfs/dbraw/zinc/05/21/19/823052119.db2.gz XSZLSCKTUOCKEW-CJNGLKHVSA-N 1 2 382.888 4.067 20 0 GIADLO CC(C)(C)[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1 ZINC000175840940 823052546 /nfs/dbraw/zinc/05/25/46/823052546.db2.gz SUPCCAJABHGUCN-HXUWFJFHSA-N 1 2 384.499 4.276 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000175850458 823055366 /nfs/dbraw/zinc/05/53/66/823055366.db2.gz QKEHEAYTWPYDDL-GOSISDBHSA-N 1 2 392.528 4.196 20 0 GIADLO C[C@H]1C[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@H](c2ccsc2)O1 ZINC000120747597 823056402 /nfs/dbraw/zinc/05/64/02/823056402.db2.gz NQYMNLFSSZPFKZ-LHSJRXKWSA-N 1 2 381.497 4.305 20 0 GIADLO C[C@H]1C[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@H](c2ccsc2)O1 ZINC000120747597 823056406 /nfs/dbraw/zinc/05/64/06/823056406.db2.gz NQYMNLFSSZPFKZ-LHSJRXKWSA-N 1 2 381.497 4.305 20 0 GIADLO Cc1c(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cnn1C1CCCC1 ZINC000570583458 823057221 /nfs/dbraw/zinc/05/72/21/823057221.db2.gz IASPVTWINVLQPX-UHFFFAOYSA-N 1 2 388.541 4.393 20 0 GIADLO CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000175898839 823067040 /nfs/dbraw/zinc/06/70/40/823067040.db2.gz FGAJSKQXMOMFPF-IBGZPJMESA-N 1 2 380.467 4.174 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cs1)c1cccc(C)c1C ZINC000120803888 823067437 /nfs/dbraw/zinc/06/74/37/823067437.db2.gz JDDINMNMAVBMKI-SJLPKXTDSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cs1)c1cccc(C)c1C ZINC000120803888 823067441 /nfs/dbraw/zinc/06/74/41/823067441.db2.gz JDDINMNMAVBMKI-SJLPKXTDSA-N 1 2 387.549 4.037 20 0 GIADLO C[C@@H]1C[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)CCC1(F)F ZINC000570671299 823069986 /nfs/dbraw/zinc/06/99/86/823069986.db2.gz BPVHDBMCTGCABS-LLVKDONJSA-N 1 2 376.241 4.088 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)CCC1(F)F ZINC000570671299 823069991 /nfs/dbraw/zinc/06/99/91/823069991.db2.gz BPVHDBMCTGCABS-LLVKDONJSA-N 1 2 376.241 4.088 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000175962023 823082948 /nfs/dbraw/zinc/08/29/48/823082948.db2.gz MVULONBYEPOBEN-LJQANCHMSA-N 1 2 392.528 4.196 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ncc(Br)cc1F ZINC000187531757 823083122 /nfs/dbraw/zinc/08/31/22/823083122.db2.gz PZNXIGYRRFUXTP-LLVKDONJSA-N 1 2 382.277 4.406 20 0 GIADLO CN(c1ccccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000120919316 823086885 /nfs/dbraw/zinc/08/68/85/823086885.db2.gz CINAXFNMZLJOMQ-UHFFFAOYSA-N 1 2 393.535 4.251 20 0 GIADLO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(O)ccc1Br)CCO2 ZINC000187551108 823086909 /nfs/dbraw/zinc/08/69/09/823086909.db2.gz NNBPBGMWAPEJAL-KRWDZBQOSA-N 1 2 378.266 4.167 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Br ZINC000187538447 823084876 /nfs/dbraw/zinc/08/48/76/823084876.db2.gz ZAYWYCRBGLGCCE-SJCJKPOMSA-N 1 2 391.313 4.377 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(Oc4ncccc4F)CC3)o2)cc1 ZINC000570785495 823087123 /nfs/dbraw/zinc/08/71/23/823087123.db2.gz PGSFNNCBFFPYCV-OAHLLOKOSA-N 1 2 382.439 4.184 20 0 GIADLO O=C(Nc1ccn(-c2ccccc2)n1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000120953831 823092303 /nfs/dbraw/zinc/09/23/03/823092303.db2.gz XRCAAOIFZORPKC-IRLDBZIGSA-N 1 2 398.470 4.119 20 0 GIADLO O=C(Nc1ccn(-c2ccccc2)n1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000120953653 823092346 /nfs/dbraw/zinc/09/23/46/823092346.db2.gz XRCAAOIFZORPKC-IFMALSPDSA-N 1 2 398.470 4.119 20 0 GIADLO Clc1cncc(OC2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)c1 ZINC000570813918 823091028 /nfs/dbraw/zinc/09/10/28/823091028.db2.gz UBGDJNMJZBXNCQ-UHFFFAOYSA-N 1 2 386.908 4.297 20 0 GIADLO CCN(Cc1cccs1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176003458 823092867 /nfs/dbraw/zinc/09/28/67/823092867.db2.gz ZEIVHHKZOZKAEX-UHFFFAOYSA-N 1 2 386.565 4.015 20 0 GIADLO O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120956760 823092945 /nfs/dbraw/zinc/09/29/45/823092945.db2.gz DDCPWSPJKKRXSU-NRFANRHFSA-N 1 2 397.478 4.378 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000570830441 823093059 /nfs/dbraw/zinc/09/30/59/823093059.db2.gz XHSNTFTWILZILE-NRFANRHFSA-N 1 2 378.451 4.117 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N(C)[C@H]3CCc4ccccc43)CC2)cc1 ZINC000176003848 823093069 /nfs/dbraw/zinc/09/30/69/823093069.db2.gz GLYGANBBMKJTTF-QHCPKHFHSA-N 1 2 392.547 4.050 20 0 GIADLO O=C(NC1CC1)[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1 ZINC000056182905 823097732 /nfs/dbraw/zinc/09/77/32/823097732.db2.gz GTIAPHYRZXAYFG-JOCHJYFZSA-N 1 2 391.446 4.123 20 0 GIADLO CC[C@]1(CO)CCC[N@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000187604806 823096656 /nfs/dbraw/zinc/09/66/56/823096656.db2.gz OXTRMPBXKFNWKV-IBGZPJMESA-N 1 2 380.941 4.360 20 0 GIADLO CC[C@]1(CO)CCC[N@@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000187604806 823096658 /nfs/dbraw/zinc/09/66/58/823096658.db2.gz OXTRMPBXKFNWKV-IBGZPJMESA-N 1 2 380.941 4.360 20 0 GIADLO COCCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000121000196 823100602 /nfs/dbraw/zinc/10/06/02/823100602.db2.gz JZKWQUUGTXUFFA-UHFFFAOYSA-N 1 2 390.524 4.015 20 0 GIADLO COc1cccc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1OC ZINC000056201870 823101927 /nfs/dbraw/zinc/10/19/27/823101927.db2.gz PRYXMJNDFBFFGN-OAQYLSRUSA-N 1 2 394.446 4.313 20 0 GIADLO COc1cccc(Nc2ccccc2C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000121008748 823101966 /nfs/dbraw/zinc/10/19/66/823101966.db2.gz QJTJWQVZHJKAFE-FQEVSTJZSA-N 1 2 389.455 4.127 20 0 GIADLO COc1cccc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c1OC ZINC000056201761 823102019 /nfs/dbraw/zinc/10/20/19/823102019.db2.gz VJWYTBJAKXALII-NRFANRHFSA-N 1 2 376.456 4.173 20 0 GIADLO CC1(CC(F)(F)F)CN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000458891152 823102594 /nfs/dbraw/zinc/10/25/94/823102594.db2.gz VKAKQWIAKQWVFX-UHFFFAOYSA-N 1 2 386.805 4.010 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC1CCC(C(F)F)CC1 ZINC000458891102 823102663 /nfs/dbraw/zinc/10/26/63/823102663.db2.gz UZTQWPDYQBACJL-UHFFFAOYSA-N 1 2 382.842 4.149 20 0 GIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCCCC2(F)F)c(C)c1 ZINC000570901733 823105361 /nfs/dbraw/zinc/10/53/61/823105361.db2.gz SWCXHTWLPVHURB-HKUYNNGSSA-N 1 2 390.478 4.366 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000458913157 823105553 /nfs/dbraw/zinc/10/55/53/823105553.db2.gz ZAERVARUINIZRR-LJQANCHMSA-N 1 2 390.478 4.223 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000458913156 823105690 /nfs/dbraw/zinc/10/56/90/823105690.db2.gz ZAERVARUINIZRR-IBGZPJMESA-N 1 2 390.478 4.223 20 0 GIADLO O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056249360 823112502 /nfs/dbraw/zinc/11/25/02/823112502.db2.gz XWDWBOLHWQSCNS-UHFFFAOYSA-N 1 2 381.848 4.297 20 0 GIADLO COc1ccc(OC)c(NC(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121081870 823114957 /nfs/dbraw/zinc/11/49/57/823114957.db2.gz DUDUCWKMASQHFG-CQSZACIVSA-N 1 2 391.537 4.224 20 0 GIADLO COc1ccc(OC)c(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121081870 823114960 /nfs/dbraw/zinc/11/49/60/823114960.db2.gz DUDUCWKMASQHFG-CQSZACIVSA-N 1 2 391.537 4.224 20 0 GIADLO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000459016476 823117023 /nfs/dbraw/zinc/11/70/23/823117023.db2.gz PMSCWJSVVRRNJD-SFHVURJKSA-N 1 2 376.863 4.173 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2nc(-c3cc(Br)cs3)no2)cc1 ZINC000056267471 823117095 /nfs/dbraw/zinc/11/70/95/823117095.db2.gz SXWGZZOFURCIRO-UHFFFAOYSA-N 1 2 394.294 4.201 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3cc(Br)cs3)no2)cc1 ZINC000056267471 823117098 /nfs/dbraw/zinc/11/70/98/823117098.db2.gz SXWGZZOFURCIRO-UHFFFAOYSA-N 1 2 394.294 4.201 20 0 GIADLO COc1ccc(CN(C(=O)NCc2c[nH+]c(C)cc2C)[C@@H](C)C2CC2)c(OC)c1 ZINC000459074511 823124123 /nfs/dbraw/zinc/12/41/23/823124123.db2.gz KQNZOTJJEYVDDA-KRWDZBQOSA-N 1 2 397.519 4.226 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c[nH+]1 ZINC000459081400 823125136 /nfs/dbraw/zinc/12/51/36/823125136.db2.gz QTCLPWMKTVUBII-GOSISDBHSA-N 1 2 383.883 4.275 20 0 GIADLO Cc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(OCC(F)(F)F)c1 ZINC000056313753 823125913 /nfs/dbraw/zinc/12/59/13/823125913.db2.gz BVPHJBAPQBMWSI-UHFFFAOYSA-N 1 2 389.377 4.433 20 0 GIADLO CCCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000459090443 823126578 /nfs/dbraw/zinc/12/65/78/823126578.db2.gz ZNGQRMASDVJNQF-SFHVURJKSA-N 1 2 382.508 4.037 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c[nH]nc2-c2ccccc2Cl)c1C ZINC000176121939 823127272 /nfs/dbraw/zinc/12/72/72/823127272.db2.gz GWLBHAQHHCQRBA-UHFFFAOYSA-N 1 2 384.867 4.023 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(F)cc(Br)cc2F)c1C ZINC000176121733 823127368 /nfs/dbraw/zinc/12/73/68/823127368.db2.gz HJEYSJUMMBIJIN-UHFFFAOYSA-N 1 2 399.235 4.020 20 0 GIADLO C[NH+](C)[C@@H](c1nc(Cc2cc(Br)cs2)no1)c1ccccc1 ZINC000571068782 823127490 /nfs/dbraw/zinc/12/74/90/823127490.db2.gz PCOZVBQMAXHBJE-OAHLLOKOSA-N 1 2 378.295 4.135 20 0 GIADLO Cc1cc(C)cc(OC[C@H](O)CNc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000571076157 823128470 /nfs/dbraw/zinc/12/84/70/823128470.db2.gz NMKBBPMUZNLZOU-HXUWFJFHSA-N 1 2 389.499 4.070 20 0 GIADLO O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000121165205 823130670 /nfs/dbraw/zinc/13/06/70/823130670.db2.gz XEQKGCPRYFIHAK-UHFFFAOYSA-N 1 2 390.418 4.308 20 0 GIADLO C[C@@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000121241602 823145698 /nfs/dbraw/zinc/14/56/98/823145698.db2.gz DTCIYVKAERFSAA-KBXCAEBGSA-N 1 2 378.394 4.274 20 0 GIADLO Brc1ccccc1-n1cc(C[NH2+][C@H]2CCCOc3ccccc32)nn1 ZINC000571188055 823145840 /nfs/dbraw/zinc/14/58/40/823145840.db2.gz OMIVQOKDLJCKML-KRWDZBQOSA-N 1 2 399.292 4.033 20 0 GIADLO CC(C)(C)OC(=O)N1CCc2cccc(C[N@H+]3CCC[C@@H](c4ccn[nH]4)C3)c21 ZINC000121229956 823143171 /nfs/dbraw/zinc/14/31/71/823143171.db2.gz JBGCPQAXPYVKPH-QGZVFWFLSA-N 1 2 382.508 4.087 20 0 GIADLO FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)cc2)n1 ZINC000187843461 823145010 /nfs/dbraw/zinc/14/50/10/823145010.db2.gz ITAGUNHTQSOQBW-IBGZPJMESA-N 1 2 397.404 4.493 20 0 GIADLO S=c1n(C[NH+]2C[C@@H]3CCCC[C@H]3C2)nc(-c2cccnc2)n1Cc1ccco1 ZINC000176197750 823150285 /nfs/dbraw/zinc/15/02/85/823150285.db2.gz NLPDQXCGGTWGJE-ROUUACIJSA-N 1 2 395.532 4.197 20 0 GIADLO O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000176196300 823150341 /nfs/dbraw/zinc/15/03/41/823150341.db2.gz LMJSHHDHTJUELN-ROUUACIJSA-N 1 2 377.463 4.282 20 0 GIADLO CC[C@@H](C)n1ncc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1C1CC1 ZINC000571220988 823150918 /nfs/dbraw/zinc/15/09/18/823150918.db2.gz RXOBFESCZTYEEJ-KBAYOESNSA-N 1 2 381.524 4.280 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000121274904 823152998 /nfs/dbraw/zinc/15/29/98/823152998.db2.gz XTRMZRBSOJVPLA-UHFFFAOYSA-N 1 2 380.385 4.193 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000121274904 823153001 /nfs/dbraw/zinc/15/30/01/823153001.db2.gz XTRMZRBSOJVPLA-UHFFFAOYSA-N 1 2 380.385 4.193 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2ccc(Br)cc2)c1C ZINC000176209241 823153147 /nfs/dbraw/zinc/15/31/47/823153147.db2.gz SISUNYPIXODKAF-UHFFFAOYSA-N 1 2 391.309 4.061 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2ccc(-c3nnco3)cc2)no1)c1cccc(Cl)c1 ZINC000571293316 823161339 /nfs/dbraw/zinc/16/13/39/823161339.db2.gz NLILRDGFKCZQGX-INIZCTEOSA-N 1 2 381.823 4.091 20 0 GIADLO Cc1c2ccccc2[nH+]c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C(=O)[O-] ZINC000571287618 823160429 /nfs/dbraw/zinc/16/04/29/823160429.db2.gz IGKBVMNEUXVYNM-LPHOPBHVSA-N 1 2 389.499 4.128 20 0 GIADLO Cc1c2ccccc2[nH+]c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C(=O)[O-] ZINC000571287618 823160431 /nfs/dbraw/zinc/16/04/31/823160431.db2.gz IGKBVMNEUXVYNM-LPHOPBHVSA-N 1 2 389.499 4.128 20 0 GIADLO CC[C@H](NC(=O)c1ccccc1)c1noc(/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000571364279 823171654 /nfs/dbraw/zinc/17/16/54/823171654.db2.gz CIFVDPGVZLJBJU-IMTHGLKYSA-N 1 2 399.454 4.307 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCc3ccc(F)cc3)n2)C1 ZINC000056554860 823168455 /nfs/dbraw/zinc/16/84/55/823168455.db2.gz ZAHWAWKYXVEORO-OAHLLOKOSA-N 1 2 390.528 4.221 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCc3ccc(F)cc3)n2)C1 ZINC000056554860 823168456 /nfs/dbraw/zinc/16/84/56/823168456.db2.gz ZAHWAWKYXVEORO-OAHLLOKOSA-N 1 2 390.528 4.221 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H]3c3ccccn3)n2)C1 ZINC000056554871 823168605 /nfs/dbraw/zinc/16/86/05/823168605.db2.gz UEVVJSMYIHPUAY-MAUKXSAKSA-N 1 2 385.537 4.139 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H]3c3ccccn3)n2)C1 ZINC000056554871 823168607 /nfs/dbraw/zinc/16/86/07/823168607.db2.gz UEVVJSMYIHPUAY-MAUKXSAKSA-N 1 2 385.537 4.139 20 0 GIADLO CC[C@H](C)Oc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000056564543 823171176 /nfs/dbraw/zinc/17/11/76/823171176.db2.gz PCKMXWCGHYNGJH-SFHVURJKSA-N 1 2 397.519 4.018 20 0 GIADLO O=C(Nc1ccc(CCC(F)(F)F)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000176289610 823173520 /nfs/dbraw/zinc/17/35/20/823173520.db2.gz FLUJSQQHPVMZIQ-UHFFFAOYSA-N 1 2 392.425 4.367 20 0 GIADLO COc1ccccc1-c1csc(C2CC[NH+](Cc3nnc(C4CC4)o3)CC2)n1 ZINC000571377044 823174537 /nfs/dbraw/zinc/17/45/37/823174537.db2.gz WXZVHJFLQBXDHT-UHFFFAOYSA-N 1 2 396.516 4.459 20 0 GIADLO CCOc1cccc([C@@H](C)NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000571383306 823175575 /nfs/dbraw/zinc/17/55/75/823175575.db2.gz WDJJBHZBYXFOBO-QGZVFWFLSA-N 1 2 396.535 4.268 20 0 GIADLO Cn1c[nH+]cc1CCNC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000121404279 823178382 /nfs/dbraw/zinc/17/83/82/823178382.db2.gz LVRKTXRRFZLNQG-UHFFFAOYSA-N 1 2 395.406 4.020 20 0 GIADLO Cc1c2ccccc2[nH+]c(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1C(=O)[O-] ZINC000571408436 823178786 /nfs/dbraw/zinc/17/87/86/823178786.db2.gz YLXOWNRKBOGXQV-KRWDZBQOSA-N 1 2 389.499 4.301 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccccc1OCCc1ccccc1 ZINC000121435362 823183841 /nfs/dbraw/zinc/18/38/41/823183841.db2.gz ABFKQJCNIMJWEC-UHFFFAOYSA-N 1 2 378.476 4.059 20 0 GIADLO Cc1cccc(Oc2ncccc2NC(=O)NCCCCn2cc[nH+]c2)c1C ZINC000056639455 823187514 /nfs/dbraw/zinc/18/75/14/823187514.db2.gz GBTURZZDFFSFRU-UHFFFAOYSA-N 1 2 379.464 4.289 20 0 GIADLO CC[C@@H](C)Oc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000056649518 823190405 /nfs/dbraw/zinc/19/04/05/823190405.db2.gz QHXFPLNSDDVNSK-QGZVFWFLSA-N 1 2 378.476 4.430 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)c1cc2ccc(Br)cc2s1 ZINC000571492388 823191595 /nfs/dbraw/zinc/19/15/95/823191595.db2.gz LRAZMLFHXAHGMT-UHFFFAOYSA-N 1 2 378.295 4.071 20 0 GIADLO O=C(Nc1cc(Br)c(F)cc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000188142935 823193092 /nfs/dbraw/zinc/19/30/92/823193092.db2.gz LRWULDMJNOMRAO-UHFFFAOYSA-N 1 2 378.176 4.165 20 0 GIADLO CCO[C@@H]1C[C@@H](Nc2cc(CSCCO)cc[nH+]2)[C@H]1Sc1ccccc1 ZINC000459468375 823198985 /nfs/dbraw/zinc/19/89/85/823198985.db2.gz RJTPSAZJOOLJKT-QWFCFKBJSA-N 1 2 390.574 4.057 20 0 GIADLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459474542 823199722 /nfs/dbraw/zinc/19/97/22/823199722.db2.gz YBTXLOLMMPLUDA-CYBMUJFWSA-N 1 2 386.639 4.382 20 0 GIADLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459474542 823199724 /nfs/dbraw/zinc/19/97/24/823199724.db2.gz YBTXLOLMMPLUDA-CYBMUJFWSA-N 1 2 386.639 4.382 20 0 GIADLO C[C@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000459496146 823204198 /nfs/dbraw/zinc/20/41/98/823204198.db2.gz WRGUNJIMDCJAHC-YVEFUNNKSA-N 1 2 393.409 4.040 20 0 GIADLO C[C@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000459496146 823204203 /nfs/dbraw/zinc/20/42/03/823204203.db2.gz WRGUNJIMDCJAHC-YVEFUNNKSA-N 1 2 393.409 4.040 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000176450671 823209977 /nfs/dbraw/zinc/20/99/77/823209977.db2.gz SBURYQQRRQRQNR-ONEGZZNKSA-N 1 2 381.495 4.080 20 0 GIADLO C[C@@H]1CCN(Cn2nc(NC3CCCCC3)sc2=S)C[C@@H]1n1cc[nH+]c1 ZINC000121594600 823212915 /nfs/dbraw/zinc/21/29/15/823212915.db2.gz AXSUTPDVZNTYND-ZBFHGGJFSA-N 1 2 392.598 4.156 20 0 GIADLO COCOc1ccc(OC)cc1C[NH2+][C@H](c1cccc(C)c1)c1ccccn1 ZINC000121612458 823215853 /nfs/dbraw/zinc/21/58/53/823215853.db2.gz WLAJJJMMNDGOCV-HSZRJFAPSA-N 1 2 378.472 4.261 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3c(F)cccc3Cl)CC2)c1 ZINC000571676839 823217652 /nfs/dbraw/zinc/21/76/52/823217652.db2.gz OVJXDKQPPLIMJL-CQSZACIVSA-N 1 2 391.874 4.398 20 0 GIADLO CCOc1cc(C[NH2+]Cc2nc(C)c(Br)s2)cc(Cl)c1O ZINC000459561510 823220477 /nfs/dbraw/zinc/22/04/77/823220477.db2.gz DYFDFFNEGAJUBR-UHFFFAOYSA-N 1 2 391.718 4.262 20 0 GIADLO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](c1nccn1C)C(C)(C)CO ZINC000459571489 823223047 /nfs/dbraw/zinc/22/30/47/823223047.db2.gz GIHNGPWHEXXRGD-JOCHJYFZSA-N 1 2 393.531 4.254 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2cccc(N3CCCC3=O)c2)no1)c1ccc(Cl)cc1 ZINC000571701157 823221614 /nfs/dbraw/zinc/22/16/14/823221614.db2.gz HPPBGGADPIWXFM-LJQANCHMSA-N 1 2 396.878 4.168 20 0 GIADLO Cc1cccn2cc(C[S@](=O)Cc3csc(-c4ccc(F)cc4)n3)[nH+]c12 ZINC000176498641 823221921 /nfs/dbraw/zinc/22/19/21/823221921.db2.gz MQGZAOYLVFFWQM-SANMLTNESA-N 1 2 385.489 4.354 20 0 GIADLO CCOC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 ZINC000571721321 823224803 /nfs/dbraw/zinc/22/48/03/823224803.db2.gz HZVPKNGNCIAIHK-LJQANCHMSA-N 1 2 399.491 4.006 20 0 GIADLO CCOC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 ZINC000571721321 823224806 /nfs/dbraw/zinc/22/48/06/823224806.db2.gz HZVPKNGNCIAIHK-LJQANCHMSA-N 1 2 399.491 4.006 20 0 GIADLO CS(=O)(=O)C[C@@H]1CCC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459582674 823225195 /nfs/dbraw/zinc/22/51/95/823225195.db2.gz FDQKCKAPPULHHS-NXLSHAFYSA-N 1 2 399.556 4.035 20 0 GIADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459582674 823225202 /nfs/dbraw/zinc/22/52/02/823225202.db2.gz FDQKCKAPPULHHS-NXLSHAFYSA-N 1 2 399.556 4.035 20 0 GIADLO CCS[C@@H](C)c1noc(C[N@H+](C)CCCC(=O)Nc2c(C)cccc2C)n1 ZINC000121667261 823226096 /nfs/dbraw/zinc/22/60/96/823226096.db2.gz QYVCTMMWXWWELV-INIZCTEOSA-N 1 2 390.553 4.351 20 0 GIADLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCCC(=O)Nc2c(C)cccc2C)n1 ZINC000121667261 823226100 /nfs/dbraw/zinc/22/61/00/823226100.db2.gz QYVCTMMWXWWELV-INIZCTEOSA-N 1 2 390.553 4.351 20 0 GIADLO O=C(CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1)c1ccc(F)cc1 ZINC000459598121 823227604 /nfs/dbraw/zinc/22/76/04/823227604.db2.gz UVAVWSBCPGSZSM-KRWDZBQOSA-N 1 2 377.257 4.393 20 0 GIADLO O=C(CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1)c1ccc(F)cc1 ZINC000459598121 823227606 /nfs/dbraw/zinc/22/76/06/823227606.db2.gz UVAVWSBCPGSZSM-KRWDZBQOSA-N 1 2 377.257 4.393 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)[C@H](C)c3nc(-c4ccccc4C)no3)[nH+]c12 ZINC000176518619 823227793 /nfs/dbraw/zinc/22/77/93/823227793.db2.gz FYDPQPZZPBITSR-YVORESIASA-N 1 2 380.473 4.011 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000056894801 823229142 /nfs/dbraw/zinc/22/91/42/823229142.db2.gz QEKVCGZLQWXAPK-QGZVFWFLSA-N 1 2 382.464 4.048 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894606 823229189 /nfs/dbraw/zinc/22/91/89/823229189.db2.gz UBWPIORKJOIXJQ-HNNXBMFYSA-N 1 2 391.500 4.385 20 0 GIADLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1ccccc1 ZINC000571747461 823229248 /nfs/dbraw/zinc/22/92/48/823229248.db2.gz BOFBJOQVWPQCNZ-SFHVURJKSA-N 1 2 393.300 4.288 20 0 GIADLO Cc1cccn2cc(C[S@](=O)[C@@H](C)c3nc(-c4ccc(F)c(C)c4)no3)[nH+]c12 ZINC000176531683 823230374 /nfs/dbraw/zinc/23/03/74/823230374.db2.gz HVGZNSPASILLQX-POXGOYDTSA-N 1 2 398.463 4.150 20 0 GIADLO CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000409488465 823232894 /nfs/dbraw/zinc/23/28/94/823232894.db2.gz ZLVGPWDZRUFMOH-MRXNPFEDSA-N 1 2 396.466 4.359 20 0 GIADLO O=C(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000571763194 823231469 /nfs/dbraw/zinc/23/14/69/823231469.db2.gz CXEQIQIDQPMVQI-GFCCVEGCSA-N 1 2 392.406 4.227 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000188389795 823231880 /nfs/dbraw/zinc/23/18/80/823231880.db2.gz HENJESFPYHNXNO-UHFFFAOYSA-N 1 2 383.407 4.061 20 0 GIADLO CN(C(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)c1nc2ccccc2s1 ZINC000121708369 823234665 /nfs/dbraw/zinc/23/46/65/823234665.db2.gz FTPGAGKITHAOTE-AWEZNQCLSA-N 1 2 399.541 4.058 20 0 GIADLO CN(C(=O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)c1nc2ccccc2s1 ZINC000121708369 823234668 /nfs/dbraw/zinc/23/46/68/823234668.db2.gz FTPGAGKITHAOTE-AWEZNQCLSA-N 1 2 399.541 4.058 20 0 GIADLO Cc1cc(CNC(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc(C)[nH+]1 ZINC000571794322 823235115 /nfs/dbraw/zinc/23/51/15/823235115.db2.gz MYZLNPYLMJVWCC-MSOLQXFVSA-N 1 2 377.492 4.100 20 0 GIADLO Cc1cc(CNC(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc(C)[nH+]1 ZINC000571794323 823235244 /nfs/dbraw/zinc/23/52/44/823235244.db2.gz MYZLNPYLMJVWCC-QZTJIDSGSA-N 1 2 377.492 4.100 20 0 GIADLO FC(F)(F)c1ncc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459643339 823236350 /nfs/dbraw/zinc/23/63/50/823236350.db2.gz CMSLUOIVIGJNTJ-NSHDSACASA-N 1 2 388.377 4.343 20 0 GIADLO FC(F)(F)c1ncc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459643339 823236353 /nfs/dbraw/zinc/23/63/53/823236353.db2.gz CMSLUOIVIGJNTJ-NSHDSACASA-N 1 2 388.377 4.343 20 0 GIADLO NC(=O)c1coc(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)c1 ZINC000188414330 823237298 /nfs/dbraw/zinc/23/72/98/823237298.db2.gz GZFMBULKZWUFBE-GOSISDBHSA-N 1 2 385.261 4.020 20 0 GIADLO O=C(Cc1cc(Cl)ccc1Cl)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000571813821 823238354 /nfs/dbraw/zinc/23/83/54/823238354.db2.gz INZSOKAGEQDDNA-WKILWMFISA-N 1 2 378.303 4.470 20 0 GIADLO CSCc1cnc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459653656 823240509 /nfs/dbraw/zinc/24/05/09/823240509.db2.gz SIAWRKLEPIBDHS-CYBMUJFWSA-N 1 2 380.501 4.187 20 0 GIADLO CSCc1cnc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459653656 823240515 /nfs/dbraw/zinc/24/05/15/823240515.db2.gz SIAWRKLEPIBDHS-CYBMUJFWSA-N 1 2 380.501 4.187 20 0 GIADLO COc1cc(Cl)c(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1C ZINC000571837424 823242618 /nfs/dbraw/zinc/24/26/18/823242618.db2.gz LJKJLNPAJYXUHB-UHFFFAOYSA-N 1 2 388.899 4.364 20 0 GIADLO C[C@H]1CCN(Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C[C@@H]1n1cc[nH+]c1 ZINC000121741024 823240915 /nfs/dbraw/zinc/24/09/15/823240915.db2.gz VNSKFRWGFKRJMQ-LPHOPBHVSA-N 1 2 394.548 4.018 20 0 GIADLO Cc1cc(NCc2ncnn2C(C)(C)C)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000409549822 823247694 /nfs/dbraw/zinc/24/76/94/823247694.db2.gz BXYXWRHOFCGAOV-UHFFFAOYSA-N 1 2 379.386 4.400 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc3ccncc3s2)C[C@H](C)O1 ZINC000571850684 823245561 /nfs/dbraw/zinc/24/55/61/823245561.db2.gz CIBVXBSGDIULAL-GASCZTMLSA-N 1 2 381.501 4.158 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc3ccncc3s2)C[C@H](C)O1 ZINC000571850684 823245564 /nfs/dbraw/zinc/24/55/64/823245564.db2.gz CIBVXBSGDIULAL-GASCZTMLSA-N 1 2 381.501 4.158 20 0 GIADLO CN(C)[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000188480137 823247728 /nfs/dbraw/zinc/24/77/28/823247728.db2.gz JPQGEZMVDMDEGS-MOPGFXCFSA-N 1 2 388.437 4.410 20 0 GIADLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)[nH]1 ZINC000459670142 823247025 /nfs/dbraw/zinc/24/70/25/823247025.db2.gz HGKWMWZSHLFCLC-UHFFFAOYSA-N 1 2 391.235 4.173 20 0 GIADLO COc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1SC ZINC000459678040 823248601 /nfs/dbraw/zinc/24/86/01/823248601.db2.gz PEVYWESFDXGPBL-AWEZNQCLSA-N 1 2 391.562 4.389 20 0 GIADLO COc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1SC ZINC000459678045 823248770 /nfs/dbraw/zinc/24/87/70/823248770.db2.gz PEVYWESFDXGPBL-CQSZACIVSA-N 1 2 391.562 4.389 20 0 GIADLO C[C@@H]1CCN(C(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000188485320 823248905 /nfs/dbraw/zinc/24/89/05/823248905.db2.gz NJRGGCZGCUWDQJ-CRAIPNDOSA-N 1 2 391.437 4.334 20 0 GIADLO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2cccc(F)c2Br)[C@@H]1O ZINC000459705385 823254293 /nfs/dbraw/zinc/25/42/93/823254293.db2.gz PXCRZIFUSGOGSW-HIFRSBDPSA-N 1 2 386.286 4.013 20 0 GIADLO COc1cc(OC)cc(Oc2ccc(C[NH2+]Cc3nnc(C(C)(C)C)[nH]3)cc2)c1 ZINC000459706906 823254474 /nfs/dbraw/zinc/25/44/74/823254474.db2.gz NXAVRRJLVCLGOT-UHFFFAOYSA-N 1 2 396.491 4.202 20 0 GIADLO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2cc(F)ccc2Br)[C@@H]1O ZINC000459713552 823255433 /nfs/dbraw/zinc/25/54/33/823255433.db2.gz UISTWJLHGCOSFE-HIFRSBDPSA-N 1 2 386.286 4.013 20 0 GIADLO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000121815097 823256913 /nfs/dbraw/zinc/25/69/13/823256913.db2.gz GUXDQFTUXPIFQF-MRXNPFEDSA-N 1 2 398.457 4.155 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000121818536 823257365 /nfs/dbraw/zinc/25/73/65/823257365.db2.gz LCALJVGCBOMKKO-OAHLLOKOSA-N 1 2 389.569 4.053 20 0 GIADLO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1noc(Cc2ccccc2)n1)c1ccco1 ZINC000121839360 823260665 /nfs/dbraw/zinc/26/06/65/823260665.db2.gz VUXWCWIHNWNEDP-OALUTQOASA-N 1 2 381.476 4.122 20 0 GIADLO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1noc(Cc2ccccc2)n1)c1ccco1 ZINC000121839360 823260669 /nfs/dbraw/zinc/26/06/69/823260669.db2.gz VUXWCWIHNWNEDP-OALUTQOASA-N 1 2 381.476 4.122 20 0 GIADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121854006 823263672 /nfs/dbraw/zinc/26/36/72/823263672.db2.gz ITKKGMCUYSEFOC-HNNXBMFYSA-N 1 2 383.521 4.354 20 0 GIADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121854006 823263673 /nfs/dbraw/zinc/26/36/73/823263673.db2.gz ITKKGMCUYSEFOC-HNNXBMFYSA-N 1 2 383.521 4.354 20 0 GIADLO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000004966649 817544274 /nfs/dbraw/zinc/54/42/74/817544274.db2.gz UVRAQTVTMINSBB-UHFFFAOYSA-N 1 2 384.907 4.490 20 0 GIADLO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000572037447 823272391 /nfs/dbraw/zinc/27/23/91/823272391.db2.gz ICCKWHHQIXNRJI-HXPMCKFVSA-N 1 2 384.277 4.451 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000572080826 823279674 /nfs/dbraw/zinc/27/96/74/823279674.db2.gz BPOAPCSZTWFDPW-FNHZYXHNSA-N 1 2 392.927 4.018 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000572080826 823279675 /nfs/dbraw/zinc/27/96/75/823279675.db2.gz BPOAPCSZTWFDPW-FNHZYXHNSA-N 1 2 392.927 4.018 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1occc1Br ZINC000176730868 823279756 /nfs/dbraw/zinc/27/97/56/823279756.db2.gz ZGRMFVGIYIJCNI-UHFFFAOYSA-N 1 2 386.249 4.494 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000572081902 823280104 /nfs/dbraw/zinc/28/01/04/823280104.db2.gz YVMYEDSSJWYHNJ-OAHLLOKOSA-N 1 2 383.883 4.117 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(OCC2CC2)cc1 ZINC000057359203 823282039 /nfs/dbraw/zinc/28/20/39/823282039.db2.gz LJDLTIYVOKKLBD-UHFFFAOYSA-N 1 2 377.444 4.003 20 0 GIADLO CCc1ccc2c(C[N@H+](C)CC(=O)Nc3ccccc3Cl)cc(=O)oc2c1 ZINC000006653566 817715599 /nfs/dbraw/zinc/71/55/99/817715599.db2.gz XZKYZNUFTCIBGW-UHFFFAOYSA-N 1 2 384.863 4.079 20 0 GIADLO CCc1ccc2c(C[N@@H+](C)CC(=O)Nc3ccccc3Cl)cc(=O)oc2c1 ZINC000006653566 817715605 /nfs/dbraw/zinc/71/56/05/817715605.db2.gz XZKYZNUFTCIBGW-UHFFFAOYSA-N 1 2 384.863 4.079 20 0 GIADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000121952842 823284023 /nfs/dbraw/zinc/28/40/23/823284023.db2.gz QJCMYJICWBSNSC-UHFFFAOYSA-N 1 2 397.862 4.191 20 0 GIADLO C[C@H](NC(=O)NCCCCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000057374208 823284244 /nfs/dbraw/zinc/28/42/44/823284244.db2.gz RARYEKDFAOYSHR-IBGZPJMESA-N 1 2 376.504 4.183 20 0 GIADLO CC(=O)Nc1cccc(Nc2nn(C[N@@H+]3CCC4(CCC4)C3)c(=S)s2)c1 ZINC000121960554 823285285 /nfs/dbraw/zinc/28/52/85/823285285.db2.gz JZQKCMUFORMSFJ-UHFFFAOYSA-N 1 2 389.550 4.210 20 0 GIADLO CC(=O)Nc1cccc(Nc2nn(C[N@H+]3CCC4(CCC4)C3)c(=S)s2)c1 ZINC000121960554 823285290 /nfs/dbraw/zinc/28/52/90/823285290.db2.gz JZQKCMUFORMSFJ-UHFFFAOYSA-N 1 2 389.550 4.210 20 0 GIADLO O=c1nc(C[N@H+]2CCC[C@H](O)CC2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000572131387 823287859 /nfs/dbraw/zinc/28/78/59/823287859.db2.gz YONSXVQQBRZLIM-LBPRGKRZSA-N 1 2 389.908 4.064 20 0 GIADLO O=c1nc(C[N@@H+]2CCC[C@H](O)CC2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000572131387 823287865 /nfs/dbraw/zinc/28/78/65/823287865.db2.gz YONSXVQQBRZLIM-LBPRGKRZSA-N 1 2 389.908 4.064 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000007360289 817823390 /nfs/dbraw/zinc/82/33/90/817823390.db2.gz HUIXOGSDYDLTJH-UHFFFAOYSA-N 1 2 380.467 4.007 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000007360289 817823399 /nfs/dbraw/zinc/82/33/99/817823399.db2.gz HUIXOGSDYDLTJH-UHFFFAOYSA-N 1 2 380.467 4.007 20 0 GIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-c2ccccc2F)o1 ZINC000409734257 823294404 /nfs/dbraw/zinc/29/44/04/823294404.db2.gz OIHCZKXJHXKHAH-UHFFFAOYSA-N 1 2 380.419 4.170 20 0 GIADLO CC[N@@H+](Cc1ccccn1)Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 ZINC000176797479 823295117 /nfs/dbraw/zinc/29/51/17/823295117.db2.gz LNCZWBRYKYNGMW-UHFFFAOYSA-N 1 2 376.291 4.435 20 0 GIADLO CC[N@H+](Cc1ccccn1)Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 ZINC000176797479 823295119 /nfs/dbraw/zinc/29/51/19/823295119.db2.gz LNCZWBRYKYNGMW-UHFFFAOYSA-N 1 2 376.291 4.435 20 0 GIADLO Oc1ccc(N2CC[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000057439616 823297792 /nfs/dbraw/zinc/29/77/92/823297792.db2.gz OPQOWFMWMHULGP-UHFFFAOYSA-N 1 2 385.920 4.491 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2)s1 ZINC000122032929 823296495 /nfs/dbraw/zinc/29/64/95/823296495.db2.gz ITICPLBGIQSWFC-MRXNPFEDSA-N 1 2 386.565 4.246 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2)s1 ZINC000122032929 823296499 /nfs/dbraw/zinc/29/64/99/823296499.db2.gz ITICPLBGIQSWFC-MRXNPFEDSA-N 1 2 386.565 4.246 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000007717534 817901671 /nfs/dbraw/zinc/90/16/71/817901671.db2.gz CHGIIZDNBIIDMQ-FQEVSTJZSA-N 1 2 382.504 4.405 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000007717534 817901674 /nfs/dbraw/zinc/90/16/74/817901674.db2.gz CHGIIZDNBIIDMQ-FQEVSTJZSA-N 1 2 382.504 4.405 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000007916545 817957610 /nfs/dbraw/zinc/95/76/10/817957610.db2.gz WUTNDDQCCTUGRZ-UHFFFAOYSA-N 1 2 395.286 4.225 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000007916545 817957617 /nfs/dbraw/zinc/95/76/17/817957617.db2.gz WUTNDDQCCTUGRZ-UHFFFAOYSA-N 1 2 395.286 4.225 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)c(C)c1 ZINC000007919072 817958216 /nfs/dbraw/zinc/95/82/16/817958216.db2.gz PJCXBNKVMNYVRX-UHFFFAOYSA-N 1 2 388.895 4.107 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)c(C)c1 ZINC000007919072 817958220 /nfs/dbraw/zinc/95/82/20/817958220.db2.gz PJCXBNKVMNYVRX-UHFFFAOYSA-N 1 2 388.895 4.107 20 0 GIADLO CC[NH+]1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000007943242 817966366 /nfs/dbraw/zinc/96/63/66/817966366.db2.gz UCRRRDDRLWPFGA-UHFFFAOYSA-N 1 2 377.513 4.255 20 0 GIADLO CC(C)=CCOc1cccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000460171266 823304673 /nfs/dbraw/zinc/30/46/73/823304673.db2.gz MDNRLWHRKUFXPR-UHFFFAOYSA-N 1 2 375.472 4.206 20 0 GIADLO C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(Br)s1 ZINC000008164915 818010070 /nfs/dbraw/zinc/01/00/70/818010070.db2.gz VDZQCYGHAHPNGV-UHFFFAOYSA-N 1 2 397.382 4.027 20 0 GIADLO C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(Br)s1 ZINC000008164915 818010082 /nfs/dbraw/zinc/01/00/82/818010082.db2.gz VDZQCYGHAHPNGV-UHFFFAOYSA-N 1 2 397.382 4.027 20 0 GIADLO O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000057550609 823309013 /nfs/dbraw/zinc/30/90/13/823309013.db2.gz ODOOFOWOYVXCJE-FQEVSTJZSA-N 1 2 397.425 4.340 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)N(C)CCCOC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572267698 823310119 /nfs/dbraw/zinc/31/01/19/823310119.db2.gz UTTHMERRROHWQJ-MOPGFXCFSA-N 1 2 399.938 4.071 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)N(C)CCCOC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572267698 823310124 /nfs/dbraw/zinc/31/01/24/823310124.db2.gz UTTHMERRROHWQJ-MOPGFXCFSA-N 1 2 399.938 4.071 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc2c(c1)CCC2 ZINC000011764567 818118180 /nfs/dbraw/zinc/11/81/80/818118180.db2.gz LDKGVCCJHRIPPS-UHFFFAOYSA-N 1 2 389.524 4.442 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc2c(c1)CCC2 ZINC000011764567 818118184 /nfs/dbraw/zinc/11/81/84/818118184.db2.gz LDKGVCCJHRIPPS-UHFFFAOYSA-N 1 2 389.524 4.442 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCCO[C@@H](C)c2ccccc2)c1C ZINC000057609492 823314547 /nfs/dbraw/zinc/31/45/47/823314547.db2.gz DPQXBHQPPJSCIM-SFHVURJKSA-N 1 2 385.508 4.016 20 0 GIADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c(C)c1 ZINC000012393175 818157311 /nfs/dbraw/zinc/15/73/11/818157311.db2.gz BXJPCBBMZIUVBI-UHFFFAOYSA-N 1 2 376.422 4.280 20 0 GIADLO C[C@H](CSc1ccc(F)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000122182850 823318163 /nfs/dbraw/zinc/31/81/63/823318163.db2.gz RWYHHDQEVGVMTA-MRXNPFEDSA-N 1 2 387.524 4.256 20 0 GIADLO O=C(C(Cc1ccccc1)Cc1ccccc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000409832094 823319853 /nfs/dbraw/zinc/31/98/53/823319853.db2.gz LVWVSLFYCIGHOQ-XMMPIXPASA-N 1 2 386.495 4.163 20 0 GIADLO C[C@@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)c1cn(-c2ccccc2)nn1 ZINC000409843437 823322911 /nfs/dbraw/zinc/32/29/11/823322911.db2.gz NVJFPWADQJMYIB-CXAGYDPISA-N 1 2 399.292 4.204 20 0 GIADLO CCCC[C@@H](CC)CNC(=S)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000015153021 818295789 /nfs/dbraw/zinc/29/57/89/818295789.db2.gz GHJADKNLIXCUHW-GOSISDBHSA-N 1 2 391.629 4.121 20 0 GIADLO Cc1cc(C)cc(NC(=S)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000015152980 818295862 /nfs/dbraw/zinc/29/58/62/818295862.db2.gz CRCPUJNQYZWCCO-UHFFFAOYSA-N 1 2 383.565 4.044 20 0 GIADLO CCN(C(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000015369776 818318646 /nfs/dbraw/zinc/31/86/46/818318646.db2.gz UVDIBZFUAXXMSE-UHFFFAOYSA-N 1 2 376.456 4.053 20 0 GIADLO CCN(C(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000015369776 818318653 /nfs/dbraw/zinc/31/86/53/818318653.db2.gz UVDIBZFUAXXMSE-UHFFFAOYSA-N 1 2 376.456 4.053 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCc3ccccc3C2)c2cccs2)cc1 ZINC000015375565 818319509 /nfs/dbraw/zinc/31/95/09/818319509.db2.gz DZCYEKHDUKWHLB-QHCPKHFHSA-N 1 2 376.525 4.320 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCc3ccccc3C2)c2cccs2)cc1 ZINC000015375565 818319516 /nfs/dbraw/zinc/31/95/16/818319516.db2.gz DZCYEKHDUKWHLB-QHCPKHFHSA-N 1 2 376.525 4.320 20 0 GIADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccoc1C1CC1 ZINC000409860897 823328753 /nfs/dbraw/zinc/32/87/53/823328753.db2.gz VEAJNZUBNJOXKO-IERDGZPVSA-N 1 2 381.520 4.233 20 0 GIADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccoc1C1CC1 ZINC000409860897 823328760 /nfs/dbraw/zinc/32/87/60/823328760.db2.gz VEAJNZUBNJOXKO-IERDGZPVSA-N 1 2 381.520 4.233 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCc2ccccc2C1 ZINC000015452160 818327132 /nfs/dbraw/zinc/32/71/32/818327132.db2.gz ARBJXQIEQRSIAY-LJQANCHMSA-N 1 2 377.513 4.018 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCc2ccccc2C1 ZINC000015452160 818327135 /nfs/dbraw/zinc/32/71/35/818327135.db2.gz ARBJXQIEQRSIAY-LJQANCHMSA-N 1 2 377.513 4.018 20 0 GIADLO CCCCOc1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)c(Cl)c1 ZINC000572405637 823333814 /nfs/dbraw/zinc/33/38/14/823333814.db2.gz CNHJXSPHKOIUNS-QGZVFWFLSA-N 1 2 379.888 4.351 20 0 GIADLO CCCCOc1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)c(Cl)c1 ZINC000572405637 823333820 /nfs/dbraw/zinc/33/38/20/823333820.db2.gz CNHJXSPHKOIUNS-QGZVFWFLSA-N 1 2 379.888 4.351 20 0 GIADLO CSc1cccc(F)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000409880451 823334632 /nfs/dbraw/zinc/33/46/32/823334632.db2.gz QUOXMOPKXABMAA-QAPCUYQASA-N 1 2 380.435 4.001 20 0 GIADLO CSc1cccc(F)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000409880451 823334640 /nfs/dbraw/zinc/33/46/40/823334640.db2.gz QUOXMOPKXABMAA-QAPCUYQASA-N 1 2 380.435 4.001 20 0 GIADLO C[C@H](O)[C@H]([NH2+][C@@H]1CCc2c1c(Br)ccc2F)c1ccccc1F ZINC000572413718 823335112 /nfs/dbraw/zinc/33/51/12/823335112.db2.gz QGZZMPFBIYEOSW-HIIUDZQISA-N 1 2 382.248 4.426 20 0 GIADLO Fc1ccc(OC2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)c(F)c1 ZINC000188967742 823335890 /nfs/dbraw/zinc/33/58/90/823335890.db2.gz HVPODDSGBSVHIZ-UHFFFAOYSA-N 1 2 389.377 4.197 20 0 GIADLO COc1cc(C[N@H+](C)Cc2cn3cc(Cl)ccc3n2)ccc1OC(F)F ZINC000016377965 818431477 /nfs/dbraw/zinc/43/14/77/818431477.db2.gz QNTSCEUSACVXDE-UHFFFAOYSA-N 1 2 381.810 4.230 20 0 GIADLO COc1cc(C[N@@H+](C)Cc2cn3cc(Cl)ccc3n2)ccc1OC(F)F ZINC000016377965 818431480 /nfs/dbraw/zinc/43/14/80/818431480.db2.gz QNTSCEUSACVXDE-UHFFFAOYSA-N 1 2 381.810 4.230 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)CC2 ZINC000016418759 818440466 /nfs/dbraw/zinc/44/04/66/818440466.db2.gz QFHZYYOGTMRJTG-GOSISDBHSA-N 1 2 396.531 4.062 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)CC2 ZINC000016418759 818440468 /nfs/dbraw/zinc/44/04/68/818440468.db2.gz QFHZYYOGTMRJTG-GOSISDBHSA-N 1 2 396.531 4.062 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccccc1Br ZINC000122355733 823342880 /nfs/dbraw/zinc/34/28/80/823342880.db2.gz FJYGSWIVRODZKH-UHFFFAOYSA-N 1 2 389.297 4.156 20 0 GIADLO CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc3[nH+]c(C)cn3c1)O[C@H](C)C2 ZINC000409906201 823341217 /nfs/dbraw/zinc/34/12/17/823341217.db2.gz DNZSKIPMABBVOT-DKSSEZFCSA-N 1 2 391.471 4.107 20 0 GIADLO C[C@@H](NC(=O)C[N@H+](Cc1ccncc1)C1CC1)c1ccc(Cl)cc1Cl ZINC000122344039 823341351 /nfs/dbraw/zinc/34/13/51/823341351.db2.gz BSASIOHGGYOVDF-CYBMUJFWSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@@H](NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)c1ccc(Cl)cc1Cl ZINC000122344039 823341358 /nfs/dbraw/zinc/34/13/58/823341358.db2.gz BSASIOHGGYOVDF-CYBMUJFWSA-N 1 2 378.303 4.230 20 0 GIADLO CCOc1ccc(OCC)c(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000122351662 823342394 /nfs/dbraw/zinc/34/23/94/823342394.db2.gz KAUSALSOKDVISU-UHFFFAOYSA-N 1 2 398.507 4.191 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](c2ccccc2)C(F)(F)F)c1C ZINC000189032066 823344876 /nfs/dbraw/zinc/34/48/76/823344876.db2.gz YTVBKCMEGZMXKQ-MRXNPFEDSA-N 1 2 395.425 4.195 20 0 GIADLO CCc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000057903209 823346496 /nfs/dbraw/zinc/34/64/96/823346496.db2.gz AKEOKFFXSLTNCW-MRXNPFEDSA-N 1 2 380.521 4.158 20 0 GIADLO CCc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000057903209 823346502 /nfs/dbraw/zinc/34/65/02/823346502.db2.gz AKEOKFFXSLTNCW-MRXNPFEDSA-N 1 2 380.521 4.158 20 0 GIADLO O=C(CSc1ccc2ccccc2c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019012147 818584185 /nfs/dbraw/zinc/58/41/85/818584185.db2.gz PRYWQPLJRVAVGU-UHFFFAOYSA-N 1 2 392.524 4.403 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cs1)c1cccc(C)c1C ZINC000572517379 823352550 /nfs/dbraw/zinc/35/25/50/823352550.db2.gz PAEKKJSTKDDLFL-XLIONFOSSA-N 1 2 385.533 4.055 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cs1)c1cccc(C)c1C ZINC000572517379 823352557 /nfs/dbraw/zinc/35/25/57/823352557.db2.gz PAEKKJSTKDDLFL-XLIONFOSSA-N 1 2 385.533 4.055 20 0 GIADLO Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000020543321 818624842 /nfs/dbraw/zinc/62/48/42/818624842.db2.gz SETGODHYUSJCNO-UHFFFAOYSA-N 1 2 377.410 4.364 20 0 GIADLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000020543329 818625262 /nfs/dbraw/zinc/62/52/62/818625262.db2.gz VBMNEKQFDCBZHI-UHFFFAOYSA-N 1 2 393.409 4.064 20 0 GIADLO CC1(C)C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@H]1[C@H]1CCCO1 ZINC000572529976 823354950 /nfs/dbraw/zinc/35/49/50/823354950.db2.gz BSVXTHHLGBRDHI-SJORKVTESA-N 1 2 391.309 4.494 20 0 GIADLO CC1(C)C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@H]1[C@H]1CCCO1 ZINC000572529976 823354955 /nfs/dbraw/zinc/35/49/55/823354955.db2.gz BSVXTHHLGBRDHI-SJORKVTESA-N 1 2 391.309 4.494 20 0 GIADLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1cccc2[nH+]ccn21 ZINC000460328344 823354968 /nfs/dbraw/zinc/35/49/68/823354968.db2.gz IWPXZFISOVVTEX-UHFFFAOYSA-N 1 2 383.249 4.068 20 0 GIADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000572558648 823360968 /nfs/dbraw/zinc/36/09/68/823360968.db2.gz IZUNLDDRGLBYTA-QGZVFWFLSA-N 1 2 394.544 4.062 20 0 GIADLO CC(C)c1noc2ncc(C(=O)Nc3nc(C[N@@H+]4CCC[C@@H](C)C4)cs3)cc21 ZINC000021495326 818695716 /nfs/dbraw/zinc/69/57/16/818695716.db2.gz XWAWTPBMVZVIDH-CYBMUJFWSA-N 1 2 399.520 4.287 20 0 GIADLO CC(C)c1noc2ncc(C(=O)Nc3nc(C[N@H+]4CCC[C@@H](C)C4)cs3)cc21 ZINC000021495326 818695720 /nfs/dbraw/zinc/69/57/20/818695720.db2.gz XWAWTPBMVZVIDH-CYBMUJFWSA-N 1 2 399.520 4.287 20 0 GIADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000021584108 818708607 /nfs/dbraw/zinc/70/86/07/818708607.db2.gz BZYQWBZFUQVOST-XLIONFOSSA-N 1 2 386.561 4.169 20 0 GIADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000021584108 818708613 /nfs/dbraw/zinc/70/86/13/818708613.db2.gz BZYQWBZFUQVOST-XLIONFOSSA-N 1 2 386.561 4.169 20 0 GIADLO Cc1ccc2nc(COc3ccccc3C(=O)Nc3cccc4[nH+]ccn43)cn2c1 ZINC000460340282 823358336 /nfs/dbraw/zinc/35/83/36/823358336.db2.gz SJCVUCFLUNMEFX-UHFFFAOYSA-N 1 2 397.438 4.122 20 0 GIADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000460344700 823359266 /nfs/dbraw/zinc/35/92/66/823359266.db2.gz BUDDMLJEQRYCEY-GPMSIDNRSA-N 1 2 379.460 4.003 20 0 GIADLO O=C(N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1)N1CCn2c[nH+]cc2C1 ZINC000460354378 823362034 /nfs/dbraw/zinc/36/20/34/823362034.db2.gz TYLLWGXGYISRQR-FQEVSTJZSA-N 1 2 386.927 4.253 20 0 GIADLO Cc1cc(N)nc(SCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)[nH+]1 ZINC000022090651 818771274 /nfs/dbraw/zinc/77/12/74/818771274.db2.gz YNKWQDJDRBZLIN-IBGZPJMESA-N 1 2 398.919 4.019 20 0 GIADLO COc1ccc2cc(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)c(C)nc2c1 ZINC000022290603 818790945 /nfs/dbraw/zinc/79/09/45/818790945.db2.gz PLPHFPARGSGTRX-UHFFFAOYSA-N 1 2 396.516 4.247 20 0 GIADLO CC(C)c1noc2ncc(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)cc21 ZINC000022290783 818791042 /nfs/dbraw/zinc/79/10/42/818791042.db2.gz NUBIOFFYXHYUMO-UHFFFAOYSA-N 1 2 385.493 4.041 20 0 GIADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000460364737 823364667 /nfs/dbraw/zinc/36/46/67/823364667.db2.gz MTKYOMVOHBLKOH-YVEFUNNKSA-N 1 2 392.272 4.005 20 0 GIADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000460364737 823364672 /nfs/dbraw/zinc/36/46/72/823364672.db2.gz MTKYOMVOHBLKOH-YVEFUNNKSA-N 1 2 392.272 4.005 20 0 GIADLO CCCn1c(=S)n(C[N@H+](C)[C@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000022758411 818857014 /nfs/dbraw/zinc/85/70/14/818857014.db2.gz MGIVAJGKWPOINU-IBGZPJMESA-N 1 2 379.533 4.463 20 0 GIADLO CCCn1c(=S)n(C[N@@H+](C)[C@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000022758411 818857019 /nfs/dbraw/zinc/85/70/19/818857019.db2.gz MGIVAJGKWPOINU-IBGZPJMESA-N 1 2 379.533 4.463 20 0 GIADLO Cc1c(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[nH]c2c1C(=O)CCC2 ZINC000022766808 818858294 /nfs/dbraw/zinc/85/82/94/818858294.db2.gz KPRVGYUCIBPABL-GOSISDBHSA-N 1 2 399.922 4.062 20 0 GIADLO Clc1ccc(-c2noc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000022777612 818859507 /nfs/dbraw/zinc/85/95/07/818859507.db2.gz LWOURAKQZAMAGY-QPJJXVBHSA-N 1 2 394.906 4.221 20 0 GIADLO Cc1cccc(NC(=O)CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1C ZINC000022783517 818860036 /nfs/dbraw/zinc/86/00/36/818860036.db2.gz LWCWIHNFJYXXLY-GOSISDBHSA-N 1 2 385.939 4.274 20 0 GIADLO C[N@H+](CC1CCCC1)Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S ZINC000058207589 823369110 /nfs/dbraw/zinc/36/91/10/823369110.db2.gz QCOCAJWWLOATSH-INIZCTEOSA-N 1 2 392.594 4.401 20 0 GIADLO C[N@@H+](CC1CCCC1)Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S ZINC000058207589 823369113 /nfs/dbraw/zinc/36/91/13/823369113.db2.gz QCOCAJWWLOATSH-INIZCTEOSA-N 1 2 392.594 4.401 20 0 GIADLO Cc1ccc(-c2noc(CN3CC[NH+]([C@@H](C)c4ccc(F)cc4)CC3)n2)cc1 ZINC000022823499 818864751 /nfs/dbraw/zinc/86/47/51/818864751.db2.gz DTXNIILMYHKXBH-KRWDZBQOSA-N 1 2 380.467 4.063 20 0 GIADLO Cc1cccc(NC(=O)C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1C ZINC000022833539 818865536 /nfs/dbraw/zinc/86/55/36/818865536.db2.gz LMUGEWGWDWYQTF-UHFFFAOYSA-N 1 2 385.939 4.103 20 0 GIADLO Cc1cccc(NC(=O)C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1C ZINC000022833539 818865540 /nfs/dbraw/zinc/86/55/40/818865540.db2.gz LMUGEWGWDWYQTF-UHFFFAOYSA-N 1 2 385.939 4.103 20 0 GIADLO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000022836171 818866076 /nfs/dbraw/zinc/86/60/76/818866076.db2.gz AUVYDOYRGLZAOU-UHFFFAOYSA-N 1 2 391.540 4.318 20 0 GIADLO Cc1cc(CNC(=O)NCCCn2cc[nH+]c2)ccc1Oc1ccc(F)cc1 ZINC000058217123 823369412 /nfs/dbraw/zinc/36/94/12/823369412.db2.gz GCUWOJWDYDFMKN-UHFFFAOYSA-N 1 2 382.439 4.012 20 0 GIADLO Cc1cc(-c2ncccc2NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000189192510 823373336 /nfs/dbraw/zinc/37/33/36/823373336.db2.gz XVJHYJYGLDTHOJ-INIZCTEOSA-N 1 2 395.532 4.339 20 0 GIADLO C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1C(F)(F)F ZINC000022965999 818881071 /nfs/dbraw/zinc/88/10/71/818881071.db2.gz QHRCMPKFALBCJA-UHFFFAOYSA-N 1 2 380.414 4.088 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1C(F)(F)F ZINC000022965999 818881078 /nfs/dbraw/zinc/88/10/78/818881078.db2.gz QHRCMPKFALBCJA-UHFFFAOYSA-N 1 2 380.414 4.088 20 0 GIADLO Cc1oc(-c2cccs2)nc1CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000022969316 818881777 /nfs/dbraw/zinc/88/17/77/818881777.db2.gz NHPKGLUDBRISST-UHFFFAOYSA-N 1 2 397.548 4.256 20 0 GIADLO O=C(CCCn1cc[nH+]c1)N(Cc1ccccc1Br)C1CCCC1 ZINC000122550069 823371029 /nfs/dbraw/zinc/37/10/29/823371029.db2.gz GUVNGYZDZCWYNM-UHFFFAOYSA-N 1 2 390.325 4.397 20 0 GIADLO Cc1cc(N)nc(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)[nH+]1 ZINC000023194233 818906911 /nfs/dbraw/zinc/90/69/11/818906911.db2.gz PHGNQKBHVMUUEV-SECBINFHSA-N 1 2 381.383 4.289 20 0 GIADLO Cn1c[nH+]cc1Cc1noc(-c2ccc(-c3ccccc3OC(F)(F)F)o2)n1 ZINC000572644810 823374120 /nfs/dbraw/zinc/37/41/20/823374120.db2.gz WJAITLVHIPZCDE-UHFFFAOYSA-N 1 2 390.321 4.220 20 0 GIADLO COc1ccc(F)cc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000023404529 818934283 /nfs/dbraw/zinc/93/42/83/818934283.db2.gz WTLAMLFCPDIDKN-UHFFFAOYSA-N 1 2 397.475 4.101 20 0 GIADLO COc1ccc(F)cc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000023404529 818934286 /nfs/dbraw/zinc/93/42/86/818934286.db2.gz WTLAMLFCPDIDKN-UHFFFAOYSA-N 1 2 397.475 4.101 20 0 GIADLO O=C(C1CC[NH+](Cn2c(-c3ccccc3)csc2=S)CC1)N1CCCC1 ZINC000177131167 823378879 /nfs/dbraw/zinc/37/88/79/823378879.db2.gz BCQNLCOYLUFCGX-UHFFFAOYSA-N 1 2 387.574 4.238 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)CCCCc3nc4ccccc4s3)sc2C1 ZINC000023608579 818964643 /nfs/dbraw/zinc/96/46/43/818964643.db2.gz WCPGQZYADRDRET-UHFFFAOYSA-N 1 2 386.546 4.092 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)CCCCc3nc4ccccc4s3)sc2C1 ZINC000023608579 818964652 /nfs/dbraw/zinc/96/46/52/818964652.db2.gz WCPGQZYADRDRET-UHFFFAOYSA-N 1 2 386.546 4.092 20 0 GIADLO CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000058372601 823383886 /nfs/dbraw/zinc/38/38/86/823383886.db2.gz PYKWXVRBDMYNOE-UHFFFAOYSA-N 1 2 387.867 4.429 20 0 GIADLO CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000058372601 823383894 /nfs/dbraw/zinc/38/38/94/823383894.db2.gz PYKWXVRBDMYNOE-UHFFFAOYSA-N 1 2 387.867 4.429 20 0 GIADLO O[C@@H](C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1)c1ccco1 ZINC000177152713 823384729 /nfs/dbraw/zinc/38/47/29/823384729.db2.gz XGSMJOCKFKEMGW-IBGZPJMESA-N 1 2 375.428 4.065 20 0 GIADLO O[C@@H](C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1)c1ccco1 ZINC000177152713 823384734 /nfs/dbraw/zinc/38/47/34/823384734.db2.gz XGSMJOCKFKEMGW-IBGZPJMESA-N 1 2 375.428 4.065 20 0 GIADLO O[C@H](C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1)c1ccco1 ZINC000177152731 823384879 /nfs/dbraw/zinc/38/48/79/823384879.db2.gz XGSMJOCKFKEMGW-LJQANCHMSA-N 1 2 375.428 4.065 20 0 GIADLO O[C@H](C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1)c1ccco1 ZINC000177152731 823384885 /nfs/dbraw/zinc/38/48/85/823384885.db2.gz XGSMJOCKFKEMGW-LJQANCHMSA-N 1 2 375.428 4.065 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CSc2ccc(Br)cc21 ZINC000572768299 823395270 /nfs/dbraw/zinc/39/52/70/823395270.db2.gz CYDCSWIKCCGXAT-ZDUSSCGKSA-N 1 2 389.278 4.065 20 0 GIADLO Cc1cc(N)nc(S[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)[nH+]1 ZINC000122690304 823395433 /nfs/dbraw/zinc/39/54/33/823395433.db2.gz NUOYFFAVOFBQEP-NSHDSACASA-N 1 2 395.513 4.186 20 0 GIADLO CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC000572769260 823395641 /nfs/dbraw/zinc/39/56/41/823395641.db2.gz VELLQSJORDHSMC-CYBMUJFWSA-N 1 2 387.871 4.375 20 0 GIADLO O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000572785530 823398663 /nfs/dbraw/zinc/39/86/63/823398663.db2.gz QFGSXLYZDAWOOV-UHFFFAOYSA-N 1 2 377.835 4.023 20 0 GIADLO CC[C@H](C)c1ccc(S(=O)(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000058506891 823401686 /nfs/dbraw/zinc/40/16/86/823401686.db2.gz GUEZGRTYRYOVCK-AWEZNQCLSA-N 1 2 376.522 4.041 20 0 GIADLO COc1cc(C[N@H+](C)Cn2c(=O)oc3ccc(Cl)cc32)ccc1SC ZINC000058540621 823406515 /nfs/dbraw/zinc/40/65/15/823406515.db2.gz MPMWZVUTMDVVRX-UHFFFAOYSA-N 1 2 378.881 4.068 20 0 GIADLO COc1cc(C[N@@H+](C)Cn2c(=O)oc3ccc(Cl)cc32)ccc1SC ZINC000058540621 823406517 /nfs/dbraw/zinc/40/65/17/823406517.db2.gz MPMWZVUTMDVVRX-UHFFFAOYSA-N 1 2 378.881 4.068 20 0 GIADLO COc1ccc(CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H](C)C2CC2)cc1 ZINC000410181043 823412675 /nfs/dbraw/zinc/41/26/75/823412675.db2.gz CLFKMWSWSQWBBW-SFHVURJKSA-N 1 2 389.499 4.381 20 0 GIADLO C[C@H](c1ccccn1)[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000177262780 823413335 /nfs/dbraw/zinc/41/33/35/823413335.db2.gz LMOUUJAFYKXRSS-MRXNPFEDSA-N 1 2 382.508 4.223 20 0 GIADLO O=C(c1cc(-c2cccc(F)c2)no1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000572857854 823409871 /nfs/dbraw/zinc/40/98/71/823409871.db2.gz HSSIXJFKSXWUKZ-MRXNPFEDSA-N 1 2 394.450 4.033 20 0 GIADLO CC(C)[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000410189434 823414540 /nfs/dbraw/zinc/41/45/40/823414540.db2.gz GXWMDLAQRHECDJ-OAQYLSRUSA-N 1 2 380.467 4.267 20 0 GIADLO O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000058626105 823419222 /nfs/dbraw/zinc/41/92/22/823419222.db2.gz YFZPBSZTPXRNJC-UHFFFAOYSA-N 1 2 398.812 4.197 20 0 GIADLO O=C(NCc1cccc(F)c1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000410199931 823417365 /nfs/dbraw/zinc/41/73/65/823417365.db2.gz RUDCTYRDTLUCNJ-GOSISDBHSA-N 1 2 393.865 4.255 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(OC(F)(F)F)c2)c1C ZINC000058616964 823417426 /nfs/dbraw/zinc/41/74/26/823417426.db2.gz NREZNYNEXBDMTN-UHFFFAOYSA-N 1 2 383.370 4.270 20 0 GIADLO CC[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000460534248 823422954 /nfs/dbraw/zinc/42/29/54/823422954.db2.gz ZXUQWLJDGQLXOZ-QFIPXVFZSA-N 1 2 390.531 4.487 20 0 GIADLO CCCC(=O)Nc1cccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1C ZINC000058644302 823423213 /nfs/dbraw/zinc/42/32/13/823423213.db2.gz YYEUUNDGSDWQGG-UHFFFAOYSA-N 1 2 398.507 4.418 20 0 GIADLO COc1ccc(-c2csc3ncnc(N(C)CCCn4cc[nH+]c4)c23)cc1 ZINC000410238597 823430257 /nfs/dbraw/zinc/43/02/57/823430257.db2.gz DOUILBNJSZJIDG-UHFFFAOYSA-N 1 2 379.489 4.090 20 0 GIADLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000189495206 823430420 /nfs/dbraw/zinc/43/04/20/823430420.db2.gz IOQLJXFUSLPABE-IFXJQAMLSA-N 1 2 376.859 4.270 20 0 GIADLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCC(=O)Nc1ccccc1F ZINC000189495206 823430424 /nfs/dbraw/zinc/43/04/24/823430424.db2.gz IOQLJXFUSLPABE-IFXJQAMLSA-N 1 2 376.859 4.270 20 0 GIADLO COc1ccc(Br)c(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000189506496 823433469 /nfs/dbraw/zinc/43/34/69/823433469.db2.gz IZAVHJPCGYDRRT-UHFFFAOYSA-N 1 2 375.060 4.103 20 0 GIADLO Cc1cccc(CSCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410254254 823435573 /nfs/dbraw/zinc/43/55/73/823435573.db2.gz FVYUVWYYQUDJCN-LJQANCHMSA-N 1 2 383.561 4.167 20 0 GIADLO C[C@@H](CSc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410254473 823435703 /nfs/dbraw/zinc/43/57/03/823435703.db2.gz GICVYGVMZCEEKN-ZWKOTPCHSA-N 1 2 383.561 4.354 20 0 GIADLO O=C(N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1(Cc2cccc(F)c2)CCC1 ZINC000410257200 823436786 /nfs/dbraw/zinc/43/67/86/823436786.db2.gz QUZOKRWJKDMYQI-LJQANCHMSA-N 1 2 395.522 4.478 20 0 GIADLO CC(C)COc1cccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410259220 823437508 /nfs/dbraw/zinc/43/75/08/823437508.db2.gz XRYTYYMOOPUQIC-LJQANCHMSA-N 1 2 381.520 4.274 20 0 GIADLO O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410260370 823438198 /nfs/dbraw/zinc/43/81/98/823438198.db2.gz UQFUPJARYWDTGJ-CQSZACIVSA-N 1 2 392.330 4.475 20 0 GIADLO O=C(COc1ccc2ccccc2c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410263059 823439273 /nfs/dbraw/zinc/43/92/73/823439273.db2.gz HCZSRDXKUBPYSR-HXUWFJFHSA-N 1 2 389.499 4.158 20 0 GIADLO CCSCc1ccccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410263464 823439332 /nfs/dbraw/zinc/43/93/32/823439332.db2.gz HHYGBKKNWGUARF-QGZVFWFLSA-N 1 2 383.561 4.492 20 0 GIADLO CCCN(CC)c1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410266589 823441117 /nfs/dbraw/zinc/44/11/17/823441117.db2.gz PSZHLGBUIJZKFB-HXUWFJFHSA-N 1 2 394.563 4.476 20 0 GIADLO C[NH+](C)[C@@H](CNC(=O)CCC(=O)c1ccc2ccccc2c1)c1ccsc1 ZINC000025331567 819964447 /nfs/dbraw/zinc/96/44/47/819964447.db2.gz KVDQJXNRSHKTJQ-FQEVSTJZSA-N 1 2 380.513 4.283 20 0 GIADLO COc1ccc(C[N@H+](C)CN2c3cccc4cccc(c34)C2=O)cc1OC(F)F ZINC000025482453 819989930 /nfs/dbraw/zinc/98/99/30/819989930.db2.gz STJJXLHMOCQSPA-UHFFFAOYSA-N 1 2 398.409 4.500 20 0 GIADLO COc1ccc(C[N@@H+](C)CN2c3cccc4cccc(c34)C2=O)cc1OC(F)F ZINC000025482453 819989936 /nfs/dbraw/zinc/98/99/36/819989936.db2.gz STJJXLHMOCQSPA-UHFFFAOYSA-N 1 2 398.409 4.500 20 0 GIADLO O=C(CCc1cc(Cl)cs1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410274903 823444518 /nfs/dbraw/zinc/44/45/18/823444518.db2.gz GOVABDWJRCMOQG-AWEZNQCLSA-N 1 2 377.941 4.273 20 0 GIADLO O=C(CSc1ccccc1Cl)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281152 823446919 /nfs/dbraw/zinc/44/69/19/823446919.db2.gz FTQMSUVXQJAGJB-OAHLLOKOSA-N 1 2 389.952 4.371 20 0 GIADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)on3)CC2)c1 ZINC000025853614 820031590 /nfs/dbraw/zinc/03/15/90/820031590.db2.gz FBIDMLOSRGMBIS-UHFFFAOYSA-N 1 2 395.890 4.261 20 0 GIADLO Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000025921995 820039708 /nfs/dbraw/zinc/03/97/08/820039708.db2.gz LFEXYAOKYCUPJN-GOSISDBHSA-N 1 2 377.444 4.153 20 0 GIADLO Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000025921995 820039718 /nfs/dbraw/zinc/03/97/18/820039718.db2.gz LFEXYAOKYCUPJN-GOSISDBHSA-N 1 2 377.444 4.153 20 0 GIADLO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000573106156 823448771 /nfs/dbraw/zinc/44/87/71/823448771.db2.gz IOWKSJUCYCXWCQ-PDIWNELESA-N 1 2 389.499 4.354 20 0 GIADLO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000573106156 823448775 /nfs/dbraw/zinc/44/87/75/823448775.db2.gz IOWKSJUCYCXWCQ-PDIWNELESA-N 1 2 389.499 4.354 20 0 GIADLO Cc1cc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)no1 ZINC000026101578 820057709 /nfs/dbraw/zinc/05/77/09/820057709.db2.gz XZFGRENFVIYFBU-UHFFFAOYSA-N 1 2 389.912 4.105 20 0 GIADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000026183579 820067567 /nfs/dbraw/zinc/06/75/67/820067567.db2.gz QBUQPJJWWFRIRX-MRXNPFEDSA-N 1 2 382.895 4.269 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2cccc(C)c2)ccc1OC(F)F ZINC000026454058 820100267 /nfs/dbraw/zinc/10/02/67/820100267.db2.gz LUWNZXBXIBVWCY-UHFFFAOYSA-N 1 2 378.419 4.066 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2)ccc1OC(F)F ZINC000026454058 820100274 /nfs/dbraw/zinc/10/02/74/820100274.db2.gz LUWNZXBXIBVWCY-UHFFFAOYSA-N 1 2 378.419 4.066 20 0 GIADLO COc1cc(-c2nn(C[N@H+](C)[C@H](C)C(C)(C)C)c(=S)o2)cc(OC)c1OC ZINC000026629578 820125684 /nfs/dbraw/zinc/12/56/84/820125684.db2.gz LKDRYLXFJMWLIW-GFCCVEGCSA-N 1 2 395.525 4.222 20 0 GIADLO COc1cc(-c2nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c(=S)o2)cc(OC)c1OC ZINC000026629578 820125691 /nfs/dbraw/zinc/12/56/91/820125691.db2.gz LKDRYLXFJMWLIW-GFCCVEGCSA-N 1 2 395.525 4.222 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000026759014 820140449 /nfs/dbraw/zinc/14/04/49/820140449.db2.gz GTJCUSSZURIHAB-ZDUSSCGKSA-N 1 2 381.530 4.184 20 0 GIADLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000177414188 823456479 /nfs/dbraw/zinc/45/64/79/823456479.db2.gz WUCPKMLCWVXVTD-UGSOOPFHSA-N 1 2 385.851 4.030 20 0 GIADLO CCCC(=O)Nc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000058811997 823456604 /nfs/dbraw/zinc/45/66/04/823456604.db2.gz KEWBYSQPVUXIKA-OAQYLSRUSA-N 1 2 397.544 4.154 20 0 GIADLO COc1cc([C@H](C)[NH2+][C@H]2CSc3ccc(Br)cc32)c(F)cn1 ZINC000573156085 823456689 /nfs/dbraw/zinc/45/66/89/823456689.db2.gz USMITZOCXVKLEH-XPTSAGLGSA-N 1 2 383.286 4.489 20 0 GIADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)Nc1ccccc1OC(F)F ZINC000026877752 820157235 /nfs/dbraw/zinc/15/72/35/820157235.db2.gz UQQTZADHUPNJEP-HXUWFJFHSA-N 1 2 383.398 4.001 20 0 GIADLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(Br)c1 ZINC000410303929 823457082 /nfs/dbraw/zinc/45/70/82/823457082.db2.gz FQFFHUFTKYITTR-UHFFFAOYSA-N 1 2 384.277 4.361 20 0 GIADLO O=C(c1ccn(Cc2ccccc2)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410305058 823457704 /nfs/dbraw/zinc/45/77/04/823457704.db2.gz HVMZHGXGRNBEQA-HXUWFJFHSA-N 1 2 388.515 4.089 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NCc3cccc4c3OC(C)(C)C4)CCCC2)no1 ZINC000123079978 823458511 /nfs/dbraw/zinc/45/85/11/823458511.db2.gz NCOACBVMDFATRP-UHFFFAOYSA-N 1 2 398.551 4.184 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000123093930 823461377 /nfs/dbraw/zinc/46/13/77/823461377.db2.gz GYSWJUNCPPYTIU-UHFFFAOYSA-N 1 2 385.855 4.278 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1(c2cccc(F)c2)CCC1 ZINC000410319036 823461711 /nfs/dbraw/zinc/46/17/11/823461711.db2.gz RNJNIBPENAHJFY-UHFFFAOYSA-N 1 2 381.495 4.339 20 0 GIADLO O=C(Cc1c[nH]c2cc(Cl)ccc12)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410319425 823461838 /nfs/dbraw/zinc/46/18/38/823461838.db2.gz UBNJZAKDLBUCFE-UHFFFAOYSA-N 1 2 396.922 4.456 20 0 GIADLO Clc1ccc(OC[C@H]2CCC[N@@H+]2Cc2noc(-c3ccsc3)n2)cc1 ZINC000027238173 820214429 /nfs/dbraw/zinc/21/44/29/820214429.db2.gz PQBQRFBIRXIWQG-OAHLLOKOSA-N 1 2 375.881 4.495 20 0 GIADLO Clc1ccc(OC[C@H]2CCC[N@H+]2Cc2noc(-c3ccsc3)n2)cc1 ZINC000027238173 820214436 /nfs/dbraw/zinc/21/44/36/820214436.db2.gz PQBQRFBIRXIWQG-OAHLLOKOSA-N 1 2 375.881 4.495 20 0 GIADLO CC(C)COc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000058853708 823462422 /nfs/dbraw/zinc/46/24/22/823462422.db2.gz VDDGNOKTOWSJJD-JOCHJYFZSA-N 1 2 398.572 4.128 20 0 GIADLO Cc1ccc(S[C@H](C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000027477043 820249476 /nfs/dbraw/zinc/24/94/76/820249476.db2.gz YVNGCVYZIZFKLD-GOSISDBHSA-N 1 2 379.529 4.079 20 0 GIADLO Cc1ccc(S[C@@H](C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000027477049 820249962 /nfs/dbraw/zinc/24/99/62/820249962.db2.gz YVNGCVYZIZFKLD-SFHVURJKSA-N 1 2 379.529 4.079 20 0 GIADLO COC(=O)[C@H](c1ccsc1)[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000410331419 823465475 /nfs/dbraw/zinc/46/54/75/823465475.db2.gz YQELDLAAUDUHDJ-FQEVSTJZSA-N 1 2 384.501 4.332 20 0 GIADLO Cc1ccc(OCc2nc(C[NH2+]Cc3ccc(C4OCCO4)cc3)cs2)cc1 ZINC000123134718 823467938 /nfs/dbraw/zinc/46/79/38/823467938.db2.gz ZEWCMKZZTLRUHQ-UHFFFAOYSA-N 1 2 396.512 4.366 20 0 GIADLO OCC[N@H+](Cc1cnc2ccccc2c1)Cc1cc(Br)ccc1F ZINC000410345007 823468705 /nfs/dbraw/zinc/46/87/05/823468705.db2.gz MPJWPWMHHLYBLG-UHFFFAOYSA-N 1 2 389.268 4.131 20 0 GIADLO OCC[N@@H+](Cc1cnc2ccccc2c1)Cc1cc(Br)ccc1F ZINC000410345007 823468710 /nfs/dbraw/zinc/46/87/10/823468710.db2.gz MPJWPWMHHLYBLG-UHFFFAOYSA-N 1 2 389.268 4.131 20 0 GIADLO N#Cc1ccccc1/C=C/C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000028416263 820334937 /nfs/dbraw/zinc/33/49/37/820334937.db2.gz FNLLWPHSZBLDSW-CFGKVWFZSA-N 1 2 397.881 4.317 20 0 GIADLO CCc1ncc(CNc2[nH+]c3ccccc3n2Cc2cccc(OC)c2)s1 ZINC000460664773 823471028 /nfs/dbraw/zinc/47/10/28/823471028.db2.gz SQYVKOLRFNVVSP-UHFFFAOYSA-N 1 2 378.501 4.146 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(-c4ccccc4)[nH]n3)n2)C1 ZINC000028677912 820349046 /nfs/dbraw/zinc/34/90/46/820349046.db2.gz BJWVPOCXYYUKRG-CQSZACIVSA-N 1 2 381.505 4.017 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(-c4ccccc4)[nH]n3)n2)C1 ZINC000028677912 820349057 /nfs/dbraw/zinc/34/90/57/820349057.db2.gz BJWVPOCXYYUKRG-CQSZACIVSA-N 1 2 381.505 4.017 20 0 GIADLO COc1ccc(Cl)cc1CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000028684840 820351357 /nfs/dbraw/zinc/35/13/57/820351357.db2.gz LAWWLQGPKLYIKK-CYBMUJFWSA-N 1 2 393.940 4.218 20 0 GIADLO COc1ccc(Cl)cc1CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000028684840 820351368 /nfs/dbraw/zinc/35/13/68/820351368.db2.gz LAWWLQGPKLYIKK-CYBMUJFWSA-N 1 2 393.940 4.218 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@H+](C)Cc2cccc(Cl)c2)cc1Cl ZINC000028959918 820377265 /nfs/dbraw/zinc/37/72/65/820377265.db2.gz TVZDTFYMGVAZKR-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@@H+](C)Cc2cccc(Cl)c2)cc1Cl ZINC000028959918 820377276 /nfs/dbraw/zinc/37/72/76/820377276.db2.gz TVZDTFYMGVAZKR-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N(Cc2ccccc2)c2ccccc2)cc1F ZINC000029065170 820388783 /nfs/dbraw/zinc/38/87/83/820388783.db2.gz SKCUIDXHVOVSBL-UHFFFAOYSA-N 1 2 392.474 4.500 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N(Cc2ccccc2)c2ccccc2)cc1F ZINC000029065170 820388794 /nfs/dbraw/zinc/38/87/94/820388794.db2.gz SKCUIDXHVOVSBL-UHFFFAOYSA-N 1 2 392.474 4.500 20 0 GIADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cnc(-c2ccncc2)s1 ZINC000460677914 823475893 /nfs/dbraw/zinc/47/58/93/823475893.db2.gz NZGOMDQRMMRVHP-UHFFFAOYSA-N 1 2 393.516 4.015 20 0 GIADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccc(Br)s1 ZINC000029157943 820401898 /nfs/dbraw/zinc/40/18/98/820401898.db2.gz UYGZAPSQCLSSDR-SECBINFHSA-N 1 2 389.265 4.248 20 0 GIADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccc(Br)s1 ZINC000029157943 820401900 /nfs/dbraw/zinc/40/19/00/820401900.db2.gz UYGZAPSQCLSSDR-SECBINFHSA-N 1 2 389.265 4.248 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CSCc2ccc(Cl)cc2)c1C ZINC000058958437 823476429 /nfs/dbraw/zinc/47/64/29/823476429.db2.gz RIVUEEANQQEUDB-UHFFFAOYSA-N 1 2 378.925 4.252 20 0 GIADLO COC(=O)[C@@H](c1ccsc1)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000410370495 823478104 /nfs/dbraw/zinc/47/81/04/823478104.db2.gz DAAOLDMVSLKMPG-LJQANCHMSA-N 1 2 387.480 4.056 20 0 GIADLO COC(=O)[C@@H](c1ccsc1)[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000410370495 823478110 /nfs/dbraw/zinc/47/81/10/823478110.db2.gz DAAOLDMVSLKMPG-LJQANCHMSA-N 1 2 387.480 4.056 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(C)n1 ZINC000123207580 823478993 /nfs/dbraw/zinc/47/89/93/823478993.db2.gz NUZBSYDWYQGBKA-UHFFFAOYSA-N 1 2 393.491 4.110 20 0 GIADLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)s2)c(C)c1 ZINC000029346915 820441467 /nfs/dbraw/zinc/44/14/67/820441467.db2.gz ZUSUUZXSXOAWLB-CYBMUJFWSA-N 1 2 379.913 4.187 20 0 GIADLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)s2)c(C)c1 ZINC000029346915 820441473 /nfs/dbraw/zinc/44/14/73/820441473.db2.gz ZUSUUZXSXOAWLB-CYBMUJFWSA-N 1 2 379.913 4.187 20 0 GIADLO C/C(=C\C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(C(F)(F)F)c1 ZINC000177517090 823480568 /nfs/dbraw/zinc/48/05/68/823480568.db2.gz RGVXVVCTCJWZGG-UCRUJTKLSA-N 1 2 377.410 4.415 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000410387268 823483327 /nfs/dbraw/zinc/48/33/27/823483327.db2.gz YQSLETBYAVATAI-YBTHPKLGSA-N 1 2 389.833 4.328 20 0 GIADLO COc1ccc2cc([C@H](C)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)ccc2c1 ZINC000029555248 820476039 /nfs/dbraw/zinc/47/60/39/820476039.db2.gz PAVWGFAESLJRNI-KRWDZBQOSA-N 1 2 389.499 4.264 20 0 GIADLO O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000410391089 823484287 /nfs/dbraw/zinc/48/42/87/823484287.db2.gz JTJFDKMVUCTSKM-UHFFFAOYSA-N 1 2 379.313 4.205 20 0 GIADLO Cc1ccc(-c2nc(C[NH+]3CCC(NC(=O)c4ccccc4)CC3)cs2)o1 ZINC000029711633 820504094 /nfs/dbraw/zinc/50/40/94/820504094.db2.gz KTYFPDMOIYTWRK-UHFFFAOYSA-N 1 2 381.501 4.106 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029825089 820525001 /nfs/dbraw/zinc/52/50/01/820525001.db2.gz JTMDMMQUHHZGHX-CRAIPNDOSA-N 1 2 391.471 4.237 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029825089 820525008 /nfs/dbraw/zinc/52/50/08/820525008.db2.gz JTMDMMQUHHZGHX-CRAIPNDOSA-N 1 2 391.471 4.237 20 0 GIADLO Cn1cccc1C(=O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000029851520 820532717 /nfs/dbraw/zinc/53/27/17/820532717.db2.gz LGWRGSRJHXUSAF-UHFFFAOYSA-N 1 2 384.483 4.193 20 0 GIADLO Cn1cccc1C(=O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000029851520 820532725 /nfs/dbraw/zinc/53/27/25/820532725.db2.gz LGWRGSRJHXUSAF-UHFFFAOYSA-N 1 2 384.483 4.193 20 0 GIADLO Clc1ccc(O[C@@H]2CC[N@H+](Cc3ncnn3-c3ccccc3)C2)cc1Cl ZINC000410408988 823489691 /nfs/dbraw/zinc/48/96/91/823489691.db2.gz CEFKWOGMIBIMAV-MRXNPFEDSA-N 1 2 389.286 4.227 20 0 GIADLO Clc1ccc(O[C@@H]2CC[N@@H+](Cc3ncnn3-c3ccccc3)C2)cc1Cl ZINC000410408988 823489693 /nfs/dbraw/zinc/48/96/93/823489693.db2.gz CEFKWOGMIBIMAV-MRXNPFEDSA-N 1 2 389.286 4.227 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc2ccc(Br)cc2[nH]1 ZINC000029907969 820545417 /nfs/dbraw/zinc/54/54/17/820545417.db2.gz JKRQZKZZILRBSP-UHFFFAOYSA-N 1 2 381.233 4.368 20 0 GIADLO CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000029914704 820547403 /nfs/dbraw/zinc/54/74/03/820547403.db2.gz PBKXXUFXWIAYHJ-UHFFFAOYSA-N 1 2 392.459 4.149 20 0 GIADLO Cn1c2ccccc2c2cc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)sc21 ZINC000030011731 820569124 /nfs/dbraw/zinc/56/91/24/820569124.db2.gz OULAOADIBJNUJV-UHFFFAOYSA-N 1 2 390.512 4.318 20 0 GIADLO Cc1ccc(-c2nc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cs2)cc1 ZINC000030030240 820571623 /nfs/dbraw/zinc/57/16/23/820571623.db2.gz DOPHBCSHCKXVRC-HXUWFJFHSA-N 1 2 377.513 4.247 20 0 GIADLO Cc1ccc(-c2nc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cs2)cc1 ZINC000030030240 820571626 /nfs/dbraw/zinc/57/16/26/820571626.db2.gz DOPHBCSHCKXVRC-HXUWFJFHSA-N 1 2 377.513 4.247 20 0 GIADLO C[N@@H+]1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)[C@@H](c2ccccc2)C1 ZINC000030030244 820571872 /nfs/dbraw/zinc/57/18/72/820571872.db2.gz HJUJKKURHSNWFR-LJQANCHMSA-N 1 2 381.476 4.078 20 0 GIADLO C[N@H+]1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)[C@@H](c2ccccc2)C1 ZINC000030030244 820571876 /nfs/dbraw/zinc/57/18/76/820571876.db2.gz HJUJKKURHSNWFR-LJQANCHMSA-N 1 2 381.476 4.078 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@@H]1n1cc[nH+]c1 ZINC000177575252 823494586 /nfs/dbraw/zinc/49/45/86/823494586.db2.gz ANIYADBGNFHZHG-WBVHZDCISA-N 1 2 382.464 4.040 20 0 GIADLO COc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000123310490 823494653 /nfs/dbraw/zinc/49/46/53/823494653.db2.gz WSCWKZOZQKZSOX-IVZQSRNASA-N 1 2 390.487 4.041 20 0 GIADLO COc1ccc2cc(/C=C/C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)ccc2c1 ZINC000030584750 820645763 /nfs/dbraw/zinc/64/57/63/820645763.db2.gz UTBOPTJXXQOFJV-UXBLZVDNSA-N 1 2 397.478 4.423 20 0 GIADLO O=C(Nc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000030609333 820650105 /nfs/dbraw/zinc/65/01/05/820650105.db2.gz ZFOXEIXEFMSRQD-UHFFFAOYSA-N 1 2 388.452 4.438 20 0 GIADLO Cc1cc(OCCCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1Cl ZINC000030656983 820659903 /nfs/dbraw/zinc/65/99/03/820659903.db2.gz HXIQAXXRCZKOJB-UHFFFAOYSA-N 1 2 397.906 4.369 20 0 GIADLO O=C(c1cnc2ccccc2c1C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000030699738 820667367 /nfs/dbraw/zinc/66/73/67/820667367.db2.gz ICYJNJMYMWIKNX-UHFFFAOYSA-N 1 2 399.416 4.212 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000177627121 823503822 /nfs/dbraw/zinc/50/38/22/823503822.db2.gz VSOZRLFGAPATMS-GOSISDBHSA-N 1 2 376.485 4.179 20 0 GIADLO C[N@H+](Cc1coc(-c2ccc(Cl)cc2)n1)Cc1ccccc1N1CCOCC1 ZINC000031083787 820736997 /nfs/dbraw/zinc/73/69/97/820736997.db2.gz XRDJMJMUDBBFJA-UHFFFAOYSA-N 1 2 397.906 4.464 20 0 GIADLO C[N@@H+](Cc1coc(-c2ccc(Cl)cc2)n1)Cc1ccccc1N1CCOCC1 ZINC000031083787 820737005 /nfs/dbraw/zinc/73/70/05/820737005.db2.gz XRDJMJMUDBBFJA-UHFFFAOYSA-N 1 2 397.906 4.464 20 0 GIADLO CCC(CC)n1nccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000123389557 823504537 /nfs/dbraw/zinc/50/45/37/823504537.db2.gz MFNKFIAOWMSIBU-AWEZNQCLSA-N 1 2 375.542 4.185 20 0 GIADLO CCC(CC)n1nccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000123389557 823504542 /nfs/dbraw/zinc/50/45/42/823504542.db2.gz MFNKFIAOWMSIBU-AWEZNQCLSA-N 1 2 375.542 4.185 20 0 GIADLO O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000059887087 823501664 /nfs/dbraw/zinc/50/16/64/823501664.db2.gz PHQQFICFJOFLCE-UHFFFAOYSA-N 1 2 379.313 4.048 20 0 GIADLO CCCCCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000060059511 823505992 /nfs/dbraw/zinc/50/59/92/823505992.db2.gz WUILWQQRXGSJRI-UHFFFAOYSA-N 1 2 382.504 4.340 20 0 GIADLO CCCCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OCC ZINC000123381178 823503539 /nfs/dbraw/zinc/50/35/39/823503539.db2.gz XMXNKAKSFXPUAX-IEBWSBKVSA-N 1 2 385.508 4.184 20 0 GIADLO C[C@H]1CCC[C@@H]([NH+](CC(=O)Nc2ccccc2)CC(=O)Nc2ccccc2)C1 ZINC000031471586 820815319 /nfs/dbraw/zinc/81/53/19/820815319.db2.gz KHIRIAWHVXZKGI-GHTZIAJQSA-N 1 2 379.504 4.145 20 0 GIADLO C[C@@H]1CCC[C@H]([NH+](CC(=O)Nc2ccccc2)CC(=O)Nc2ccccc2)C1 ZINC000031471591 820815400 /nfs/dbraw/zinc/81/54/00/820815400.db2.gz KHIRIAWHVXZKGI-NQIIRXRSSA-N 1 2 379.504 4.145 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3cc4ccc(F)cc4s3)CC2)nc(C(C)C)[nH+]1 ZINC000031493894 820817505 /nfs/dbraw/zinc/81/75/05/820817505.db2.gz YXJJHOHDOURGDT-UHFFFAOYSA-N 1 2 398.507 4.225 20 0 GIADLO CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000123442054 823509363 /nfs/dbraw/zinc/50/93/63/823509363.db2.gz NQIPQTSTJPUZPB-UHFFFAOYSA-N 1 2 391.456 4.205 20 0 GIADLO COc1ccc(F)cc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031891382 820870649 /nfs/dbraw/zinc/87/06/49/820870649.db2.gz SZEWQBNKPDUKBJ-KRWDZBQOSA-N 1 2 394.849 4.194 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000177729291 823517684 /nfs/dbraw/zinc/51/76/84/823517684.db2.gz ZFLJFNUMZVGLGZ-CEXHIMGSSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000177729291 823517687 /nfs/dbraw/zinc/51/76/87/823517687.db2.gz ZFLJFNUMZVGLGZ-CEXHIMGSSA-N 1 2 398.450 4.074 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000177686918 823513624 /nfs/dbraw/zinc/51/36/24/823513624.db2.gz HQJQBQZKRKMBPG-UHFFFAOYSA-N 1 2 387.293 4.077 20 0 GIADLO COc1ccccc1Nc1nn(C[N@@H+]2CCSCC[C@H]2C)c(=S)s1 ZINC000189918754 823513890 /nfs/dbraw/zinc/51/38/90/823513890.db2.gz HBURNYPPLGVACW-GFCCVEGCSA-N 1 2 382.580 4.211 20 0 GIADLO COc1ccccc1Nc1nn(C[N@H+]2CCSCC[C@H]2C)c(=S)s1 ZINC000189918754 823513894 /nfs/dbraw/zinc/51/38/94/823513894.db2.gz HBURNYPPLGVACW-GFCCVEGCSA-N 1 2 382.580 4.211 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(-c2cccc(Cl)c2)no1 ZINC000060302400 823514793 /nfs/dbraw/zinc/51/47/93/823514793.db2.gz FYOWIEBOYRNETG-UHFFFAOYSA-N 1 2 378.819 4.111 20 0 GIADLO CCC(CC)[C@@H](C(=O)Nc1ccc(-c2csc(C)n2)cc1)[NH+]1CCOCC1 ZINC000460807844 823517945 /nfs/dbraw/zinc/51/79/45/823517945.db2.gz VHSQYNYMIQFWKU-FQEVSTJZSA-N 1 2 387.549 4.194 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000177731513 823518096 /nfs/dbraw/zinc/51/80/96/823518096.db2.gz IJMBTFWUUUCKBY-XELLLNAOSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000177731513 823518098 /nfs/dbraw/zinc/51/80/98/823518098.db2.gz IJMBTFWUUUCKBY-XELLLNAOSA-N 1 2 399.343 4.362 20 0 GIADLO Cc1ccc(-c2nc(C)c(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)s2)o1 ZINC000032701067 820994355 /nfs/dbraw/zinc/99/43/55/820994355.db2.gz ONTIZSIYCOVMRG-UHFFFAOYSA-N 1 2 395.528 4.286 20 0 GIADLO Cc1ccc(-c2ocnc2C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000460817442 823520733 /nfs/dbraw/zinc/52/07/33/823520733.db2.gz NPVCCEZBKVMKBP-YVMONPNESA-N 1 2 387.483 4.121 20 0 GIADLO Cc1ccc(OCC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000036099828 821069178 /nfs/dbraw/zinc/06/91/78/821069178.db2.gz HHBNYGFPPOQJPP-LJQANCHMSA-N 1 2 390.886 4.120 20 0 GIADLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1nccn1CC(F)(F)F ZINC000190446579 823575279 /nfs/dbraw/zinc/57/52/79/823575279.db2.gz LWTWHRHOFKFIPL-SNVBAGLBSA-N 1 2 392.219 4.067 20 0 GIADLO Cc1cc(I)ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000037297518 821091613 /nfs/dbraw/zinc/09/16/13/821091613.db2.gz QTVIQVMPJHVQSX-UHFFFAOYSA-N 1 2 393.272 4.076 20 0 GIADLO O=C(Cc1ccc(C(F)(F)F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000038637196 821098465 /nfs/dbraw/zinc/09/84/65/821098465.db2.gz HWFMIJCRPKQZGQ-QPJJXVBHSA-N 1 2 388.433 4.106 20 0 GIADLO O[C@H](C[NH+]1CCN(c2ccccc2Cl)CC1)c1ccccc1C(F)(F)F ZINC000060460489 823530459 /nfs/dbraw/zinc/53/04/59/823530459.db2.gz MRVUIIXKXLNNIR-GOSISDBHSA-N 1 2 384.829 4.214 20 0 GIADLO CCC(CC)[C@H](C(=O)Nc1cccc(-c2nc(C)cs2)c1)[NH+]1CCOCC1 ZINC000460862772 823531370 /nfs/dbraw/zinc/53/13/70/823531370.db2.gz PHIWEUQLSZMMKQ-LJQANCHMSA-N 1 2 387.549 4.194 20 0 GIADLO C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000460912643 823540964 /nfs/dbraw/zinc/54/09/64/823540964.db2.gz UOMLGBOYPQDZPA-GFCCVEGCSA-N 1 2 386.249 4.245 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCc2cccc(Cl)c2Cl)c1C ZINC000060548159 823541057 /nfs/dbraw/zinc/54/10/57/823541057.db2.gz UOENVZFKYSRFDX-UHFFFAOYSA-N 1 2 396.318 4.398 20 0 GIADLO O=C(CCSc1ccccc1Cl)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000042044994 821257219 /nfs/dbraw/zinc/25/72/19/821257219.db2.gz KVYUGILRWQLPBQ-UHFFFAOYSA-N 1 2 385.920 4.383 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000042051255 821258091 /nfs/dbraw/zinc/25/80/91/821258091.db2.gz PGFZFNYBHXUZIP-UHFFFAOYSA-N 1 2 395.532 4.184 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000042534481 821309780 /nfs/dbraw/zinc/30/97/80/821309780.db2.gz UMRGWOFVGUEQIY-VUDBWIFFSA-N 1 2 391.315 4.139 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000042575233 821312767 /nfs/dbraw/zinc/31/27/67/821312767.db2.gz DJIIRAXPOCVPFV-SFHVURJKSA-N 1 2 394.515 4.234 20 0 GIADLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)c(C)c1 ZINC000042632310 821316094 /nfs/dbraw/zinc/31/60/94/821316094.db2.gz NQOKTVWJBYYZTF-DYESRHJHSA-N 1 2 391.471 4.312 20 0 GIADLO O=C(NCc1ccco1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000042840209 821336695 /nfs/dbraw/zinc/33/66/95/821336695.db2.gz ZPBPRQPXUWXDNK-UHFFFAOYSA-N 1 2 390.846 4.071 20 0 GIADLO COc1ccc(C)cc1[C@H](C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000043077024 821358689 /nfs/dbraw/zinc/35/86/89/821358689.db2.gz SCDMLEXSYRZBKZ-INIZCTEOSA-N 1 2 383.517 4.070 20 0 GIADLO CCOc1cccc([C@@H](C)[NH2+]Cc2nc(-c3cc(F)c(F)c(F)c3)no2)c1 ZINC000180668173 821388852 /nfs/dbraw/zinc/38/88/52/821388852.db2.gz UJWJFDMUFLHLCV-LLVKDONJSA-N 1 2 377.366 4.403 20 0 GIADLO COC(=O)CC[C@@H]([NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000180670068 821389523 /nfs/dbraw/zinc/38/95/23/821389523.db2.gz ZILNCVPMORKYIK-FOIQADDNSA-N 1 2 396.466 4.060 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000043313562 821390433 /nfs/dbraw/zinc/39/04/33/821390433.db2.gz KMZSSEXLYYDTKK-HXUWFJFHSA-N 1 2 381.520 4.141 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000043313562 821390443 /nfs/dbraw/zinc/39/04/43/821390443.db2.gz KMZSSEXLYYDTKK-HXUWFJFHSA-N 1 2 381.520 4.141 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000043313458 821390649 /nfs/dbraw/zinc/39/06/49/821390649.db2.gz WPLUVYQZCACZMR-UHFFFAOYSA-N 1 2 381.520 4.347 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3F)CC2)nc(C(C)C)[nH+]1 ZINC000043450362 821408946 /nfs/dbraw/zinc/40/89/46/821408946.db2.gz BCJGGBSZTAMOSQ-UHFFFAOYSA-N 1 2 391.878 4.055 20 0 GIADLO CN(Cc1ccc(Cl)cc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043500486 821419340 /nfs/dbraw/zinc/41/93/40/821419340.db2.gz RONGNTMNNWADTI-UHFFFAOYSA-N 1 2 378.929 4.446 20 0 GIADLO COc1ccc([C@H]2CCCN2C(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000043507958 821420663 /nfs/dbraw/zinc/42/06/63/821420663.db2.gz UOOIAUIDDQOWIC-HXUWFJFHSA-N 1 2 395.528 4.248 20 0 GIADLO O=C(NCc1ccccc1OC(F)F)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043516968 821420690 /nfs/dbraw/zinc/42/06/90/821420690.db2.gz XKVMCZSRNNZKHA-UHFFFAOYSA-N 1 2 396.463 4.052 20 0 GIADLO CN(Cc1ccccc1Cl)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517742 821421198 /nfs/dbraw/zinc/42/11/98/821421198.db2.gz URXFAWNLDREMEL-UHFFFAOYSA-N 1 2 378.929 4.446 20 0 GIADLO O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000043523690 821422681 /nfs/dbraw/zinc/42/26/81/821422681.db2.gz MQPHYMPQUVAKRQ-UHFFFAOYSA-N 1 2 378.432 4.311 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccc(F)cc3F)n2)C1 ZINC000043546819 821423791 /nfs/dbraw/zinc/42/37/91/821423791.db2.gz RQWZSJAGNYBTCC-ZDUSSCGKSA-N 1 2 394.491 4.317 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccc(F)cc3F)n2)C1 ZINC000043546819 821423800 /nfs/dbraw/zinc/42/38/00/821423800.db2.gz RQWZSJAGNYBTCC-ZDUSSCGKSA-N 1 2 394.491 4.317 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H]3c3ccncc3)n2)C1 ZINC000043546872 821423814 /nfs/dbraw/zinc/42/38/14/821423814.db2.gz JWMGXBPJOPTULK-CRAIPNDOSA-N 1 2 385.537 4.139 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H]3c3ccncc3)n2)C1 ZINC000043546872 821423824 /nfs/dbraw/zinc/42/38/24/821423824.db2.gz JWMGXBPJOPTULK-CRAIPNDOSA-N 1 2 385.537 4.139 20 0 GIADLO COc1ccc(CN(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000043547453 821424609 /nfs/dbraw/zinc/42/46/09/821424609.db2.gz JBZNUOFYFHGOGF-OAHLLOKOSA-N 1 2 388.537 4.048 20 0 GIADLO COc1ccc(CN(C)C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000043547453 821424616 /nfs/dbraw/zinc/42/46/16/821424616.db2.gz JBZNUOFYFHGOGF-OAHLLOKOSA-N 1 2 388.537 4.048 20 0 GIADLO CC(C)c1cccc(NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000043551616 821425718 /nfs/dbraw/zinc/42/57/18/821425718.db2.gz CYLPRBPWWACTLB-UHFFFAOYSA-N 1 2 394.519 4.035 20 0 GIADLO COc1ccc(OC)c(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)c1 ZINC000043630844 821432628 /nfs/dbraw/zinc/43/26/28/821432628.db2.gz CUDNUWJSBFPNQN-UHFFFAOYSA-N 1 2 389.858 4.280 20 0 GIADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000180811188 821472910 /nfs/dbraw/zinc/47/29/10/821472910.db2.gz NNGYRSVIPUFPKS-FQEVSTJZSA-N 1 2 387.527 4.413 20 0 GIADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000180811188 821472915 /nfs/dbraw/zinc/47/29/15/821472915.db2.gz NNGYRSVIPUFPKS-FQEVSTJZSA-N 1 2 387.527 4.413 20 0 GIADLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000180815625 821475842 /nfs/dbraw/zinc/47/58/42/821475842.db2.gz YVROTBBGOOIDOH-UHFFFAOYSA-N 1 2 382.272 4.325 20 0 GIADLO CC(C)(C)Oc1ccc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)cn1 ZINC000180889061 821516277 /nfs/dbraw/zinc/51/62/77/821516277.db2.gz XODANHLTRLHTDS-UHFFFAOYSA-N 1 2 397.500 4.401 20 0 GIADLO Cc1cc(C)cc(OCc2noc(C[N@H+](Cc3ccccc3)[C@H](C)CCO)n2)c1 ZINC000180981909 821572426 /nfs/dbraw/zinc/57/24/26/821572426.db2.gz ATZMYTOSBCGNCM-LJQANCHMSA-N 1 2 395.503 4.039 20 0 GIADLO Cc1cc(C)cc(OCc2noc(C[N@@H+](Cc3ccccc3)[C@H](C)CCO)n2)c1 ZINC000180981909 821572430 /nfs/dbraw/zinc/57/24/30/821572430.db2.gz ATZMYTOSBCGNCM-LJQANCHMSA-N 1 2 395.503 4.039 20 0 GIADLO O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000180999908 821584966 /nfs/dbraw/zinc/58/49/66/821584966.db2.gz YSUIXRICRUWQKT-UHFFFAOYSA-N 1 2 389.450 4.021 20 0 GIADLO Cc1ccc2c(c1)[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[C@H](C)C2 ZINC000181006958 821589101 /nfs/dbraw/zinc/58/91/01/821589101.db2.gz PCXPSKJFIAMQOL-JPYJTQIMSA-N 1 2 388.515 4.015 20 0 GIADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000181013380 821593272 /nfs/dbraw/zinc/59/32/72/821593272.db2.gz TZZPOOMYNJSVMY-OAHLLOKOSA-N 1 2 383.879 4.390 20 0 GIADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000181013380 821593279 /nfs/dbraw/zinc/59/32/79/821593279.db2.gz TZZPOOMYNJSVMY-OAHLLOKOSA-N 1 2 383.879 4.390 20 0 GIADLO CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000181040820 821607857 /nfs/dbraw/zinc/60/78/57/821607857.db2.gz UZYIQCDOSMAFGC-HRAATJIYSA-N 1 2 386.455 4.347 20 0 GIADLO CCc1noc(C)c1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000044553380 821608352 /nfs/dbraw/zinc/60/83/52/821608352.db2.gz WMFMACSCVCMOFT-LJQANCHMSA-N 1 2 395.528 4.136 20 0 GIADLO CCc1noc(C)c1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000044553380 821608356 /nfs/dbraw/zinc/60/83/56/821608356.db2.gz WMFMACSCVCMOFT-LJQANCHMSA-N 1 2 395.528 4.136 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(C)c(O)c2)cc1 ZINC000181044257 821609185 /nfs/dbraw/zinc/60/91/85/821609185.db2.gz ITZYZVLBAJRBAS-UHFFFAOYSA-N 1 2 393.487 4.029 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000044567351 821609708 /nfs/dbraw/zinc/60/97/08/821609708.db2.gz MDKWCUILLKAJOR-JWTNVVGKSA-N 1 2 377.488 4.220 20 0 GIADLO O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568213 821610519 /nfs/dbraw/zinc/61/05/19/821610519.db2.gz OLIFEDSQEFDWAJ-VZUCSPMQSA-N 1 2 387.439 4.267 20 0 GIADLO CC[C@@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccc(OC)cc1 ZINC000181067325 821617103 /nfs/dbraw/zinc/61/71/03/821617103.db2.gz HCXZUHMUYRGUKI-HSZRJFAPSA-N 1 2 395.547 4.040 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1C ZINC000181100773 821632878 /nfs/dbraw/zinc/63/28/78/821632878.db2.gz UTVOIRFVFHLGAC-UHFFFAOYSA-N 1 2 389.406 4.185 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154897 821667781 /nfs/dbraw/zinc/66/77/81/821667781.db2.gz WMWYPQBAZPNSEG-LPHOPBHVSA-N 1 2 392.906 4.199 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154897 821667786 /nfs/dbraw/zinc/66/77/86/821667786.db2.gz WMWYPQBAZPNSEG-LPHOPBHVSA-N 1 2 392.906 4.199 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154897 821667792 /nfs/dbraw/zinc/66/77/92/821667792.db2.gz WMWYPQBAZPNSEG-LPHOPBHVSA-N 1 2 392.906 4.199 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154897 821667797 /nfs/dbraw/zinc/66/77/97/821667797.db2.gz WMWYPQBAZPNSEG-LPHOPBHVSA-N 1 2 392.906 4.199 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181191377 821686977 /nfs/dbraw/zinc/68/69/77/821686977.db2.gz QXUHINDSGDYXLT-RXVVDRJESA-N 1 2 377.488 4.226 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(C)cc3)no2)cc1OC ZINC000045004261 821689112 /nfs/dbraw/zinc/68/91/12/821689112.db2.gz IUGCCVMMCORKKO-GOSISDBHSA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(C)cc3)no2)cc1OC ZINC000045004261 821689119 /nfs/dbraw/zinc/68/91/19/821689119.db2.gz IUGCCVMMCORKKO-GOSISDBHSA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccccc1[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000181200079 821692476 /nfs/dbraw/zinc/69/24/76/821692476.db2.gz DDLAHXYONLIESM-QFIPXVFZSA-N 1 2 385.423 4.222 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181211572 821699600 /nfs/dbraw/zinc/69/96/00/821699600.db2.gz CFNJRSLIWDKVQU-STQMWFEESA-N 1 2 384.904 4.141 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(Cl)cc(Cl)n1 ZINC000181246340 821716982 /nfs/dbraw/zinc/71/69/82/821716982.db2.gz KVMZSYCVFWKIEX-UHFFFAOYSA-N 1 2 393.318 4.162 20 0 GIADLO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181278197 821731061 /nfs/dbraw/zinc/73/10/61/821731061.db2.gz IGWUGRNQUQUVSY-MRXNPFEDSA-N 1 2 387.256 4.150 20 0 GIADLO Cc1ccccc1-c1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)n1 ZINC000181279396 821731767 /nfs/dbraw/zinc/73/17/67/821731767.db2.gz FDDKKEFAKCCHKO-JKSUJKDBSA-N 1 2 392.459 4.413 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)o2)cc1 ZINC000181285707 821735097 /nfs/dbraw/zinc/73/50/97/821735097.db2.gz RVVVBOMUXRJSBO-HOTGVXAUSA-N 1 2 392.459 4.413 20 0 GIADLO CCO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cs1 ZINC000181317555 821755373 /nfs/dbraw/zinc/75/53/73/821755373.db2.gz ABMLBDXFBHVWMU-KBPBESRZSA-N 1 2 375.494 4.048 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)o2)cc1 ZINC000181320721 821757609 /nfs/dbraw/zinc/75/76/09/821757609.db2.gz ZTFXWFMKZMCERI-JKSUJKDBSA-N 1 2 392.459 4.413 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000181371227 821792998 /nfs/dbraw/zinc/79/29/98/821792998.db2.gz UGBPJOYMSGQWHQ-UHFFFAOYSA-N 1 2 387.281 4.353 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181383104 821798185 /nfs/dbraw/zinc/79/81/85/821798185.db2.gz CAITWSCRIACDRR-CQSZACIVSA-N 1 2 396.878 4.368 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cs1)c1ccc(C)cc1 ZINC000181455409 821833977 /nfs/dbraw/zinc/83/39/77/821833977.db2.gz HGQDZOBTJOTFNN-XLIONFOSSA-N 1 2 387.549 4.119 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cs1)c1ccc(C)cc1 ZINC000181455409 821833988 /nfs/dbraw/zinc/83/39/88/821833988.db2.gz HGQDZOBTJOTFNN-XLIONFOSSA-N 1 2 387.549 4.119 20 0 GIADLO C[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000181483628 821846468 /nfs/dbraw/zinc/84/64/68/821846468.db2.gz UNADOMFNGUUGMG-OAHLLOKOSA-N 1 2 381.863 4.051 20 0 GIADLO C[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000181483608 821846601 /nfs/dbraw/zinc/84/66/01/821846601.db2.gz UNADOMFNGUUGMG-HNNXBMFYSA-N 1 2 381.863 4.051 20 0 GIADLO COC[C@@H]([NH2+]Cc1csc(-c2cccc(OC)c2OC)n1)c1ccccc1 ZINC000181654558 821925700 /nfs/dbraw/zinc/92/57/00/821925700.db2.gz PSAOLAYBXZCGLX-GOSISDBHSA-N 1 2 384.501 4.305 20 0 GIADLO COC[C@@H]([NH2+]Cc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1ccccc1 ZINC000181681616 821941330 /nfs/dbraw/zinc/94/13/30/821941330.db2.gz LRSBVMADLXZOPK-HXUWFJFHSA-N 1 2 395.528 4.110 20 0 GIADLO COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)c1 ZINC000181746563 821973833 /nfs/dbraw/zinc/97/38/33/821973833.db2.gz LGYMUWFQIFIRHC-QWHCGFSZSA-N 1 2 394.874 4.024 20 0 GIADLO COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)c1 ZINC000181746528 821973965 /nfs/dbraw/zinc/97/39/65/821973965.db2.gz LGYMUWFQIFIRHC-STQMWFEESA-N 1 2 394.874 4.024 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)n1 ZINC000181861436 822019334 /nfs/dbraw/zinc/01/93/34/822019334.db2.gz RZBLZFJRXGWSRI-GOSISDBHSA-N 1 2 376.504 4.420 20 0 GIADLO COC(=O)c1occc1C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000182194164 822141021 /nfs/dbraw/zinc/14/10/21/822141021.db2.gz DPEKNLHVRFYYID-IBGZPJMESA-N 1 2 393.418 4.086 20 0 GIADLO CSCCCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000182202231 822144769 /nfs/dbraw/zinc/14/47/69/822144769.db2.gz CTABZOQJCFEMMM-WOJBJXKFSA-N 1 2 386.565 4.334 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000182239003 822162021 /nfs/dbraw/zinc/16/20/21/822162021.db2.gz VMXPECIGTBFTPP-FQEVSTJZSA-N 1 2 379.548 4.334 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)s2)cc1 ZINC000182503381 822271356 /nfs/dbraw/zinc/27/13/56/822271356.db2.gz NGMIQFGKVCRIHJ-GOSISDBHSA-N 1 2 392.528 4.163 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3CC[C@H](Cc4ccccc4)C3)s2)cc1 ZINC000182503381 822271364 /nfs/dbraw/zinc/27/13/64/822271364.db2.gz NGMIQFGKVCRIHJ-GOSISDBHSA-N 1 2 392.528 4.163 20 0 GIADLO Cc1sc2nc(C[NH2+][C@@H](C)c3ccc(OC(F)(F)F)cc3)[nH]c(=O)c2c1C ZINC000182519556 822279510 /nfs/dbraw/zinc/27/95/10/822279510.db2.gz KWYVBDJLPASGPN-JTQLQIEISA-N 1 2 397.422 4.351 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3CC[C@@H](c4ccccc4)[C@@H]3C)s2)cc1 ZINC000182545517 822294861 /nfs/dbraw/zinc/29/48/61/822294861.db2.gz BDGYLCFLUSVRKJ-QFBILLFUSA-N 1 2 392.528 4.477 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3CC[C@@H](c4ccccc4)[C@@H]3C)s2)cc1 ZINC000182545517 822294867 /nfs/dbraw/zinc/29/48/67/822294867.db2.gz BDGYLCFLUSVRKJ-QFBILLFUSA-N 1 2 392.528 4.477 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1F ZINC000182593151 822315546 /nfs/dbraw/zinc/31/55/46/822315546.db2.gz OZZLIJFTXWZMLV-SFHVURJKSA-N 1 2 396.384 4.247 20 0 GIADLO O=C(CC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1F ZINC000182593151 822315558 /nfs/dbraw/zinc/31/55/58/822315558.db2.gz OZZLIJFTXWZMLV-SFHVURJKSA-N 1 2 396.384 4.247 20 0 GIADLO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccoc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000178123801 822326529 /nfs/dbraw/zinc/32/65/29/822326529.db2.gz KGUFMSHOCBGNDT-YCRPNKLZSA-N 1 2 385.485 4.132 20 0 GIADLO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)c1cc2ccccc2o1 ZINC000182628754 822330113 /nfs/dbraw/zinc/33/01/13/822330113.db2.gz AGPVSBDJIZXZDF-LBPRGKRZSA-N 1 2 398.264 4.022 20 0 GIADLO CC[C@@](C)([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1nccs1 ZINC000182671219 822345953 /nfs/dbraw/zinc/34/59/53/822345953.db2.gz NTNYIFLAHRCFGH-QGZVFWFLSA-N 1 2 397.338 4.482 20 0 GIADLO COc1cccc([C@@H]([NH2+][C@@H](C)c2cn(C)nc2C)c2cc(F)ccc2OC)c1 ZINC000178225230 822356200 /nfs/dbraw/zinc/35/62/00/822356200.db2.gz SLJFSDQUSSBDKS-RCDICMHDSA-N 1 2 383.467 4.325 20 0 GIADLO COCCC[C@H](C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000182714646 822357220 /nfs/dbraw/zinc/35/72/20/822357220.db2.gz XWYJOCWIELFPCK-IBGZPJMESA-N 1 2 391.515 4.277 20 0 GIADLO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000453414483 822359561 /nfs/dbraw/zinc/35/95/61/822359561.db2.gz BEEDOAKMNALRKQ-KBPBESRZSA-N 1 2 384.480 4.330 20 0 GIADLO CC(C)(C)OCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000182759997 822363690 /nfs/dbraw/zinc/36/36/90/822363690.db2.gz IGHJEVXZIAGBDZ-UHFFFAOYSA-N 1 2 377.488 4.030 20 0 GIADLO O=C(NCc1cccc2cccnc21)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178349734 822370124 /nfs/dbraw/zinc/37/01/24/822370124.db2.gz HIBTXJSIBQMCGA-JTHBVZDNSA-N 1 2 397.482 4.159 20 0 GIADLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000178419643 822377601 /nfs/dbraw/zinc/37/76/01/822377601.db2.gz FYKLYLSXFVGDEX-XHDPSFHLSA-N 1 2 381.293 4.489 20 0 GIADLO C[C@H](C[N@H+](C)Cn1c(=O)sc2c1CC[C@@H](C(C)(C)C)C2)c1nccs1 ZINC000182845685 822377688 /nfs/dbraw/zinc/37/76/88/822377688.db2.gz QFUADJUXPVQQKC-ZIAGYGMSSA-N 1 2 379.595 4.210 20 0 GIADLO C[C@H](C[N@@H+](C)Cn1c(=O)sc2c1CC[C@@H](C(C)(C)C)C2)c1nccs1 ZINC000182845685 822377693 /nfs/dbraw/zinc/37/76/93/822377693.db2.gz QFUADJUXPVQQKC-ZIAGYGMSSA-N 1 2 379.595 4.210 20 0 GIADLO Cc1cc(Br)c(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)s1 ZINC000453561912 822384945 /nfs/dbraw/zinc/38/49/45/822384945.db2.gz ADNBURBGFLPESG-UHFFFAOYSA-N 1 2 391.338 4.425 20 0 GIADLO C[C@H](Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000182883871 822385720 /nfs/dbraw/zinc/38/57/20/822385720.db2.gz ZVVCWOXQLQORLE-INIZCTEOSA-N 1 2 395.528 4.463 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(Br)c(Cl)c1 ZINC000178517320 822387153 /nfs/dbraw/zinc/38/71/53/822387153.db2.gz XYAWROKETOAVNU-UHFFFAOYSA-N 1 2 379.645 4.072 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc4nc(C)ccc4c3)CC2)c1 ZINC000178523194 822387730 /nfs/dbraw/zinc/38/77/30/822387730.db2.gz CEPOXAKNABIWHY-SFHVURJKSA-N 1 2 389.499 4.071 20 0 GIADLO CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000453616041 822393711 /nfs/dbraw/zinc/39/37/11/822393711.db2.gz RQIQDZRJBWQZRD-SFHVURJKSA-N 1 2 377.330 4.040 20 0 GIADLO CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000453616041 822393716 /nfs/dbraw/zinc/39/37/16/822393716.db2.gz RQIQDZRJBWQZRD-SFHVURJKSA-N 1 2 377.330 4.040 20 0 GIADLO O=C1[C@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@@H]2CCCCN12 ZINC000453631162 822395752 /nfs/dbraw/zinc/39/57/52/822395752.db2.gz OQBNVBUPBDHUDW-JKSUJKDBSA-N 1 2 395.450 4.072 20 0 GIADLO O=C(Nc1ccc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1)c1ccccc1 ZINC000045590201 822398058 /nfs/dbraw/zinc/39/80/58/822398058.db2.gz AFDVCVDYHBFFLV-UHFFFAOYSA-N 1 2 397.434 4.403 20 0 GIADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045606019 822399391 /nfs/dbraw/zinc/39/93/91/822399391.db2.gz QXFDISYUUNGXGZ-MRXNPFEDSA-N 1 2 382.895 4.487 20 0 GIADLO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045606436 822399660 /nfs/dbraw/zinc/39/96/60/822399660.db2.gz NRRXGAGBPJEQRH-UHFFFAOYSA-N 1 2 392.547 4.289 20 0 GIADLO CC(C)Cn1cc(C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cn1 ZINC000182970092 822401819 /nfs/dbraw/zinc/40/18/19/822401819.db2.gz JXYVFOOMRXAVSC-UHFFFAOYSA-N 1 2 396.457 4.407 20 0 GIADLO CC(C)Cn1cc(C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cn1 ZINC000182970092 822401822 /nfs/dbraw/zinc/40/18/22/822401822.db2.gz JXYVFOOMRXAVSC-UHFFFAOYSA-N 1 2 396.457 4.407 20 0 GIADLO CCOc1cc(Cl)ccc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000182998721 822408372 /nfs/dbraw/zinc/40/83/72/822408372.db2.gz VZFOEDNRMOMPJH-UHFFFAOYSA-N 1 2 388.895 4.132 20 0 GIADLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000045730849 822408900 /nfs/dbraw/zinc/40/89/00/822408900.db2.gz CZQZQYUEQSBWOF-CQSZACIVSA-N 1 2 389.377 4.321 20 0 GIADLO COCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000178790073 822410056 /nfs/dbraw/zinc/41/00/56/822410056.db2.gz ZPNNRILMOGKYLH-OALUTQOASA-N 1 2 391.874 4.192 20 0 GIADLO COCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000178790073 822410060 /nfs/dbraw/zinc/41/00/60/822410060.db2.gz ZPNNRILMOGKYLH-OALUTQOASA-N 1 2 391.874 4.192 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178796285 822410974 /nfs/dbraw/zinc/41/09/74/822410974.db2.gz ITISMGMZNJFOFS-OQRWROFFSA-N 1 2 386.561 4.008 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178796285 822410975 /nfs/dbraw/zinc/41/09/75/822410975.db2.gz ITISMGMZNJFOFS-OQRWROFFSA-N 1 2 386.561 4.008 20 0 GIADLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178804818 822412196 /nfs/dbraw/zinc/41/21/96/822412196.db2.gz AVRGDOZOAJXHIM-JWIGPWBQSA-N 1 2 380.513 4.036 20 0 GIADLO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178804818 822412198 /nfs/dbraw/zinc/41/21/98/822412198.db2.gz AVRGDOZOAJXHIM-JWIGPWBQSA-N 1 2 380.513 4.036 20 0 GIADLO CC(=O)N(c1nn(C[N@H+](C2CC2)C2CCC(C)CC2)c(=S)s1)C1CC1 ZINC000045801802 822414889 /nfs/dbraw/zinc/41/48/89/822414889.db2.gz HOCRHBZUXHREJJ-UHFFFAOYSA-N 1 2 380.583 4.190 20 0 GIADLO CC(=O)N(c1nn(C[N@@H+](C2CC2)C2CCC(C)CC2)c(=S)s1)C1CC1 ZINC000045801802 822414892 /nfs/dbraw/zinc/41/48/92/822414892.db2.gz HOCRHBZUXHREJJ-UHFFFAOYSA-N 1 2 380.583 4.190 20 0 GIADLO COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000183060446 822418748 /nfs/dbraw/zinc/41/87/48/822418748.db2.gz KWUUCRDQDKBEOJ-KRWDZBQOSA-N 1 2 385.471 4.189 20 0 GIADLO CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NCc2c[nH+]c(C)cc2C)c(C)c1 ZINC000454028726 822423596 /nfs/dbraw/zinc/42/35/96/822423596.db2.gz LABFWYUSZVWYNE-MRXNPFEDSA-N 1 2 385.533 4.152 20 0 GIADLO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000183097328 822424012 /nfs/dbraw/zinc/42/40/12/822424012.db2.gz ANOKXGPEGNFNBE-KRWDZBQOSA-N 1 2 377.492 4.037 20 0 GIADLO Clc1ccccc1OC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000179007542 822429201 /nfs/dbraw/zinc/42/92/01/822429201.db2.gz CUGRWOVOFAZDRX-UHFFFAOYSA-N 1 2 375.881 4.495 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(C(C)=O)c(C)c3)CC2)c1 ZINC000179051489 822433678 /nfs/dbraw/zinc/43/36/78/822433678.db2.gz QDUNLHSUJYIIAZ-KRWDZBQOSA-N 1 2 395.503 4.117 20 0 GIADLO CC(C)c1ccc(CN(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000046019077 822435406 /nfs/dbraw/zinc/43/54/06/822435406.db2.gz FYWLRMXQAPDVNB-UHFFFAOYSA-N 1 2 376.504 4.396 20 0 GIADLO COc1cccc(OC)c1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000179080970 822436310 /nfs/dbraw/zinc/43/63/10/822436310.db2.gz VAZUSHHQKYDCMN-UHFFFAOYSA-N 1 2 377.444 4.156 20 0 GIADLO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000183202662 822440846 /nfs/dbraw/zinc/44/08/46/822440846.db2.gz AKNJDKRAOFLXIQ-MRXNPFEDSA-N 1 2 390.466 4.060 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000046099661 822441139 /nfs/dbraw/zinc/44/11/39/822441139.db2.gz CAQBTFZCUDBYPA-DEOSSOPVSA-N 1 2 397.478 4.368 20 0 GIADLO Cc1sc2[nH]c(C[N@@H+](C)Cc3cccc(C(F)(F)F)c3)nc(=O)c2c1C ZINC000179158801 822445659 /nfs/dbraw/zinc/44/56/59/822445659.db2.gz XAGOAITWAXXRDT-UHFFFAOYSA-N 1 2 381.423 4.252 20 0 GIADLO Cc1sc2[nH]c(C[N@H+](C)Cc3cccc(C(F)(F)F)c3)nc(=O)c2c1C ZINC000179158801 822445660 /nfs/dbraw/zinc/44/56/60/822445660.db2.gz XAGOAITWAXXRDT-UHFFFAOYSA-N 1 2 381.423 4.252 20 0 GIADLO COc1cc([C@@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)ccc1OCC(C)C ZINC000454264334 822446062 /nfs/dbraw/zinc/44/60/62/822446062.db2.gz PYCWQFSNUQTMMA-QGZVFWFLSA-N 1 2 385.508 4.302 20 0 GIADLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000183317020 822458182 /nfs/dbraw/zinc/45/81/82/822458182.db2.gz KTZXSSYJQZMFNH-AWEZNQCLSA-N 1 2 386.240 4.025 20 0 GIADLO Cc1cccc(CSCC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000046340952 822462990 /nfs/dbraw/zinc/46/29/90/822462990.db2.gz VWACFSNOZKINED-OALUTQOASA-N 1 2 398.572 4.476 20 0 GIADLO Cc1ccc(CSCC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046341349 822463037 /nfs/dbraw/zinc/46/30/37/822463037.db2.gz DJBWFCFIDSOSCE-KDURUIRLSA-N 1 2 398.572 4.476 20 0 GIADLO Cc1ccc(CSCC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046341349 822463041 /nfs/dbraw/zinc/46/30/41/822463041.db2.gz DJBWFCFIDSOSCE-KDURUIRLSA-N 1 2 398.572 4.476 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2csc3c2CCCC3)C[C@H](C)O1 ZINC000046341642 822463279 /nfs/dbraw/zinc/46/32/79/822463279.db2.gz IVWVHOQUBIVVRI-HOTGVXAUSA-N 1 2 384.545 4.488 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3ncsc3c2)C[C@@H](C)O1 ZINC000046342196 822463506 /nfs/dbraw/zinc/46/35/06/822463506.db2.gz BRCFGTHBQQGHAL-HUUCEWRRSA-N 1 2 381.501 4.158 20 0 GIADLO Cc1ccc2c(c1)[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)CCC2 ZINC000179305276 822463546 /nfs/dbraw/zinc/46/35/46/822463546.db2.gz JTZDQNSCDYHJFJ-QFIPXVFZSA-N 1 2 388.515 4.159 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(F)cc2Cl)C[C@H](C)O1 ZINC000046343761 822463827 /nfs/dbraw/zinc/46/38/27/822463827.db2.gz HQXBKLLVKHBHLU-KBPBESRZSA-N 1 2 376.859 4.341 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(F)cc2Cl)C[C@H](C)O1 ZINC000046343759 822463934 /nfs/dbraw/zinc/46/39/34/822463934.db2.gz HQXBKLLVKHBHLU-OKILXGFUSA-N 1 2 376.859 4.341 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(F)cc2Cl)C[C@H](C)O1 ZINC000046343759 822463936 /nfs/dbraw/zinc/46/39/36/822463936.db2.gz HQXBKLLVKHBHLU-OKILXGFUSA-N 1 2 376.859 4.341 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCCc3ccccc32)C[C@@H](C)O1 ZINC000046345229 822464139 /nfs/dbraw/zinc/46/41/39/822464139.db2.gz UJUKMXRMPPUTKE-JBYIUTFZSA-N 1 2 378.516 4.354 20 0 GIADLO CCCNC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183366209 822464324 /nfs/dbraw/zinc/46/43/24/822464324.db2.gz MCMIQMWMOGRZRW-QFIPXVFZSA-N 1 2 377.463 4.240 20 0 GIADLO Fc1ccc([C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)c2ccccc2)nc1 ZINC000183368475 822464510 /nfs/dbraw/zinc/46/45/10/822464510.db2.gz KUAMIPNEELXVJU-HSZRJFAPSA-N 1 2 376.479 4.485 20 0 GIADLO Cc1cc(C)c(CNC(=O)NCc2ccc(Br)cc2Cl)c[nH+]1 ZINC000454381459 822466068 /nfs/dbraw/zinc/46/60/68/822466068.db2.gz LIYNQKBOZJXBFX-UHFFFAOYSA-N 1 2 382.689 4.114 20 0 GIADLO COCCO[C@@H]1CCC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000179347333 822468935 /nfs/dbraw/zinc/46/89/35/822468935.db2.gz CXXCXGZESSVGOW-GOSISDBHSA-N 1 2 380.941 4.015 20 0 GIADLO COCCO[C@@H]1CCC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000179347333 822468937 /nfs/dbraw/zinc/46/89/37/822468937.db2.gz CXXCXGZESSVGOW-GOSISDBHSA-N 1 2 380.941 4.015 20 0 GIADLO C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)c1nccn1C ZINC000183405131 822469188 /nfs/dbraw/zinc/46/91/88/822469188.db2.gz HKKOWWKYIIILQN-JXFKEZNVSA-N 1 2 394.519 4.490 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000046467840 822475936 /nfs/dbraw/zinc/47/59/36/822475936.db2.gz NFPQQMJMDHKDRN-CQSZACIVSA-N 1 2 386.830 4.374 20 0 GIADLO Fc1ccc([C@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)CCO2)cc1 ZINC000179429106 822481494 /nfs/dbraw/zinc/48/14/94/822481494.db2.gz CJPXFHPQKUPJRZ-HSZRJFAPSA-N 1 2 378.447 4.373 20 0 GIADLO Fc1ccc([C@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)CCO2)cc1 ZINC000179429106 822481496 /nfs/dbraw/zinc/48/14/96/822481496.db2.gz CJPXFHPQKUPJRZ-HSZRJFAPSA-N 1 2 378.447 4.373 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@H](C)c3cc(OC)c(OC)cc3F)co2)cc1 ZINC000183485624 822483622 /nfs/dbraw/zinc/48/36/22/822483622.db2.gz ZYWUKAHYGMYXPW-CYBMUJFWSA-N 1 2 386.423 4.357 20 0 GIADLO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000046561135 822486184 /nfs/dbraw/zinc/48/61/84/822486184.db2.gz CVLGNYJOJRLWAH-UHFFFAOYSA-N 1 2 391.284 4.439 20 0 GIADLO Cc1cnc(CC[N@@H+](C)Cc2csc(COc3ccc(F)cc3)n2)s1 ZINC000179465884 822486789 /nfs/dbraw/zinc/48/67/89/822486789.db2.gz JRYXNGNMHSWGOD-UHFFFAOYSA-N 1 2 377.510 4.301 20 0 GIADLO Cc1cnc(CC[N@H+](C)Cc2csc(COc3ccc(F)cc3)n2)s1 ZINC000179465884 822486791 /nfs/dbraw/zinc/48/67/91/822486791.db2.gz JRYXNGNMHSWGOD-UHFFFAOYSA-N 1 2 377.510 4.301 20 0 GIADLO CCn1c(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)nc2c1cccc2F ZINC000183507818 822487610 /nfs/dbraw/zinc/48/76/10/822487610.db2.gz IUYVYNLVCMEYFI-GFCCVEGCSA-N 1 2 375.419 4.202 20 0 GIADLO Cc1cnc(CC[N@@H+](C)CC(=O)c2cc(C)n(Cc3cccs3)c2C)s1 ZINC000179473834 822487948 /nfs/dbraw/zinc/48/79/48/822487948.db2.gz YKCHOHAJNOOWKU-UHFFFAOYSA-N 1 2 387.574 4.337 20 0 GIADLO Cc1cnc(CC[N@H+](C)CC(=O)c2cc(C)n(Cc3cccs3)c2C)s1 ZINC000179473834 822487950 /nfs/dbraw/zinc/48/79/50/822487950.db2.gz YKCHOHAJNOOWKU-UHFFFAOYSA-N 1 2 387.574 4.337 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000179483671 822489249 /nfs/dbraw/zinc/48/92/49/822489249.db2.gz FMFPFLRBDOHYLJ-UHFFFAOYSA-N 1 2 394.849 4.290 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000179483671 822489254 /nfs/dbraw/zinc/48/92/54/822489254.db2.gz FMFPFLRBDOHYLJ-UHFFFAOYSA-N 1 2 394.849 4.290 20 0 GIADLO Cc1ccccc1CCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000454517539 822489425 /nfs/dbraw/zinc/48/94/25/822489425.db2.gz UVNYEVPVSKJMKD-PMACEKPBSA-N 1 2 395.547 4.311 20 0 GIADLO Cc1cccnc1[C@@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C(C)C ZINC000454519281 822490100 /nfs/dbraw/zinc/49/01/00/822490100.db2.gz UBAHLZQPKXSWJH-IBGZPJMESA-N 1 2 397.910 4.426 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(Cl)nccc1C(F)(F)F ZINC000183528234 822490418 /nfs/dbraw/zinc/49/04/18/822490418.db2.gz CDIKPPJTDNOPDB-UHFFFAOYSA-N 1 2 384.720 4.331 20 0 GIADLO O[C@@](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)(c1ccccc1)C(F)(F)F ZINC000183548048 822493095 /nfs/dbraw/zinc/49/30/95/822493095.db2.gz JJHAFHZIKOIFFN-PMACEKPBSA-N 1 2 390.380 4.350 20 0 GIADLO Cc1cc([C@@H]2C[N@H+](Cc3ccc(OCc4nccn4C)cc3)CCO2)ccc1F ZINC000179513902 822494311 /nfs/dbraw/zinc/49/43/11/822494311.db2.gz DFKNPYPAUSNRKS-QFIPXVFZSA-N 1 2 395.478 4.020 20 0 GIADLO Cc1cc([C@@H]2C[N@@H+](Cc3ccc(OCc4nccn4C)cc3)CCO2)ccc1F ZINC000179513902 822494312 /nfs/dbraw/zinc/49/43/12/822494312.db2.gz DFKNPYPAUSNRKS-QFIPXVFZSA-N 1 2 395.478 4.020 20 0 GIADLO CCOc1cccc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1OC(F)F ZINC000179529793 822497745 /nfs/dbraw/zinc/49/77/45/822497745.db2.gz FDDMRSGUXOIDIM-UHFFFAOYSA-N 1 2 390.430 4.203 20 0 GIADLO CCOc1cccc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)c1OC(F)F ZINC000179529793 822497747 /nfs/dbraw/zinc/49/77/47/822497747.db2.gz FDDMRSGUXOIDIM-UHFFFAOYSA-N 1 2 390.430 4.203 20 0 GIADLO CC(C)Oc1cccc([C@@H](C)NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000046652493 822499200 /nfs/dbraw/zinc/49/92/00/822499200.db2.gz ITIMMHPVYWBRKP-GOSISDBHSA-N 1 2 392.503 4.279 20 0 GIADLO CCOc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1OC ZINC000183632820 822504057 /nfs/dbraw/zinc/50/40/57/822504057.db2.gz AITQSNQOLFQWFE-HNNXBMFYSA-N 1 2 389.521 4.066 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000183654030 822506524 /nfs/dbraw/zinc/50/65/24/822506524.db2.gz STMJOXNDSXYQHQ-GFCCVEGCSA-N 1 2 393.896 4.041 20 0 GIADLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000179593199 822508953 /nfs/dbraw/zinc/50/89/53/822508953.db2.gz SQPNGGHDOODQEH-NSHDSACASA-N 1 2 377.311 4.157 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cnc(CC(C)C)s1 ZINC000179628427 822515704 /nfs/dbraw/zinc/51/57/04/822515704.db2.gz QPPUXTXLVRRRBV-UHFFFAOYSA-N 1 2 375.538 4.201 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cnc(CC(C)C)s1 ZINC000179628427 822515705 /nfs/dbraw/zinc/51/57/05/822515705.db2.gz QPPUXTXLVRRRBV-UHFFFAOYSA-N 1 2 375.538 4.201 20 0 GIADLO CC(C)(C)OC(=O)NC1CCC([NH2+]c2ccc(N3CCSCC3)cc2)CC1 ZINC000179629729 822516046 /nfs/dbraw/zinc/51/60/46/822516046.db2.gz PTUDGZKIELNYQZ-UHFFFAOYSA-N 1 2 391.581 4.488 20 0 GIADLO CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc2[nH+]ccn21 ZINC000179629997 822516070 /nfs/dbraw/zinc/51/60/70/822516070.db2.gz PTEGOVNYSYUELB-UHFFFAOYSA-N 1 2 377.275 4.102 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc2nccn21 ZINC000179629997 822516071 /nfs/dbraw/zinc/51/60/71/822516071.db2.gz PTEGOVNYSYUELB-UHFFFAOYSA-N 1 2 377.275 4.102 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc2nccn21 ZINC000179629997 822516072 /nfs/dbraw/zinc/51/60/72/822516072.db2.gz PTEGOVNYSYUELB-UHFFFAOYSA-N 1 2 377.275 4.102 20 0 GIADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nc(CCc3ccccc3)no2)cc1OC ZINC000179636502 822517213 /nfs/dbraw/zinc/51/72/13/822517213.db2.gz XQZUXFMBEHVKJM-MRXNPFEDSA-N 1 2 381.476 4.031 20 0 GIADLO CC[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(F)cc1F ZINC000179639657 822517876 /nfs/dbraw/zinc/51/78/76/822517876.db2.gz BCDFQKSSVXLOKZ-SFHVURJKSA-N 1 2 387.455 4.428 20 0 GIADLO Cn1c(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)nc2ccccc2c1=O ZINC000179673333 822524334 /nfs/dbraw/zinc/52/43/34/822524334.db2.gz KECGRWLOGMCKEK-QFIPXVFZSA-N 1 2 387.458 4.146 20 0 GIADLO C[C@@H](c1cccc(NC(=O)Nc2ccccc2OCCF)c1)[NH+]1CCOCC1 ZINC000454750179 822527969 /nfs/dbraw/zinc/52/79/69/822527969.db2.gz VMNACTPPIDLKIG-INIZCTEOSA-N 1 2 387.455 4.072 20 0 GIADLO Cc1c(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cnn1C(C)(C)C ZINC000046911524 822529852 /nfs/dbraw/zinc/52/98/52/822529852.db2.gz PWAZZSDEBYLVNX-UHFFFAOYSA-N 1 2 382.552 4.028 20 0 GIADLO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000179700010 822530132 /nfs/dbraw/zinc/53/01/32/822530132.db2.gz LXDHWDUWSZWWFA-MOPGFXCFSA-N 1 2 392.459 4.028 20 0 GIADLO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000179700010 822530138 /nfs/dbraw/zinc/53/01/38/822530138.db2.gz LXDHWDUWSZWWFA-MOPGFXCFSA-N 1 2 392.459 4.028 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000046943518 822533199 /nfs/dbraw/zinc/53/31/99/822533199.db2.gz RFJXTTGTTYCEAE-IBGZPJMESA-N 1 2 384.911 4.251 20 0 GIADLO O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943150 822533206 /nfs/dbraw/zinc/53/32/06/822533206.db2.gz KTPMHCBPSLFQBT-QFIPXVFZSA-N 1 2 396.510 4.420 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000046944358 822533221 /nfs/dbraw/zinc/53/32/21/822533221.db2.gz YTIVPIORHVYVSC-MRXNPFEDSA-N 1 2 381.505 4.040 20 0 GIADLO CC[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1OC(F)F ZINC000179725577 822535950 /nfs/dbraw/zinc/53/59/50/822535950.db2.gz YOSVKYNZAXJOHU-MJGOQNOKSA-N 1 2 392.421 4.488 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(Cl)s2)C[C@H](C)O1 ZINC000046996319 822536307 /nfs/dbraw/zinc/53/63/07/822536307.db2.gz ZVCXKRTVCSTEHB-KBPBESRZSA-N 1 2 393.940 4.332 20 0 GIADLO C[C@@H]1CCc2c(sc3nc(C[NH2+][C@H](CCCO)c4ccccc4)nc(N)c23)C1 ZINC000179734243 822538166 /nfs/dbraw/zinc/53/81/66/822538166.db2.gz QDMYBMKIFYYWCR-RHSMWYFYSA-N 1 2 396.560 4.002 20 0 GIADLO CCCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)[C@@H](C)c1ccccc1Br ZINC000047028005 822538386 /nfs/dbraw/zinc/53/83/86/822538386.db2.gz OWCYLYXSDPYMPS-CABCVRRESA-N 1 2 393.329 4.217 20 0 GIADLO CSCC(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000047042371 822539730 /nfs/dbraw/zinc/53/97/30/822539730.db2.gz PIETUUOZTWLMJY-QGZVFWFLSA-N 1 2 392.615 4.049 20 0 GIADLO CSCC(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000047042371 822539734 /nfs/dbraw/zinc/53/97/34/822539734.db2.gz PIETUUOZTWLMJY-QGZVFWFLSA-N 1 2 392.615 4.049 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC)c(O)c1 ZINC000179795614 822554415 /nfs/dbraw/zinc/55/44/15/822554415.db2.gz GLLFWIDMXZASEQ-UHFFFAOYSA-N 1 2 383.275 4.168 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC)c(O)c1 ZINC000179795614 822554416 /nfs/dbraw/zinc/55/44/16/822554416.db2.gz GLLFWIDMXZASEQ-UHFFFAOYSA-N 1 2 383.275 4.168 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc(F)ccc2OC(F)F)CC1 ZINC000183979370 822557419 /nfs/dbraw/zinc/55/74/19/822557419.db2.gz FEJUZOXRNCFMNE-LBPRGKRZSA-N 1 2 399.438 4.399 20 0 GIADLO O=C(Nc1ccc(SC(F)F)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184019722 822565339 /nfs/dbraw/zinc/56/53/39/822565339.db2.gz RQKLHBUQHNFRAE-UHFFFAOYSA-N 1 2 378.448 4.141 20 0 GIADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccccc1SC(F)F ZINC000179895102 822572926 /nfs/dbraw/zinc/57/29/26/822572926.db2.gz JXJHSLPNKNXWMR-NSHDSACASA-N 1 2 384.423 4.438 20 0 GIADLO C[C@@]12CN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000455023918 822573255 /nfs/dbraw/zinc/57/32/55/822573255.db2.gz NGRRNCFYNXVTOR-XKWJQODQSA-N 1 2 386.499 4.278 20 0 GIADLO C[C@@]1(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[C@H]1c1ccccc1 ZINC000455029955 822574989 /nfs/dbraw/zinc/57/49/89/822574989.db2.gz JGOFKKBENVLELI-GMAHTHKFSA-N 1 2 380.536 4.279 20 0 GIADLO C[C@@H](O[NH+]=C(N)Cc1cccnc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000179922052 822577740 /nfs/dbraw/zinc/57/77/40/822577740.db2.gz GRVZHKCCTTUQSI-SNVBAGLBSA-N 1 2 392.246 4.031 20 0 GIADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000179926857 822578361 /nfs/dbraw/zinc/57/83/61/822578361.db2.gz ZKROVPKRORRZDL-LBPRGKRZSA-N 1 2 395.272 4.195 20 0 GIADLO FC(F)(F)c1nn(Cc2nnc(-c3ccccc3Cl)o2)c2cc[nH+]cc21 ZINC000179928897 822578760 /nfs/dbraw/zinc/57/87/60/822578760.db2.gz KGICXAWYZVAROH-UHFFFAOYSA-N 1 2 379.729 4.202 20 0 GIADLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000179930048 822579095 /nfs/dbraw/zinc/57/90/95/822579095.db2.gz DRORCTATRJFQSS-LLVKDONJSA-N 1 2 396.800 4.323 20 0 GIADLO FC(F)(F)c1nn(Cc2nn(-c3ccccc3)c3c2CCC3)c2cc[nH+]cc21 ZINC000179932402 822579483 /nfs/dbraw/zinc/57/94/83/822579483.db2.gz JBLWKHCXXZYOKR-UHFFFAOYSA-N 1 2 383.377 4.173 20 0 GIADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000179940079 822581270 /nfs/dbraw/zinc/58/12/70/822581270.db2.gz MQDONNTWRJILPX-NSHDSACASA-N 1 2 384.423 4.438 20 0 GIADLO C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)c1ccc(Cl)cc1 ZINC000179957829 822585675 /nfs/dbraw/zinc/58/56/75/822585675.db2.gz HBYVUUOGKTWFAP-MRXNPFEDSA-N 1 2 399.922 4.251 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC000455104953 822589465 /nfs/dbraw/zinc/58/94/65/822589465.db2.gz IYJCJDPYOSUPJQ-BHIYHBOVSA-N 1 2 398.938 4.069 20 0 GIADLO Cc1ccccc1NC(=O)C[NH+](CC(=O)Nc1ccccc1C)C1CCCC1 ZINC000047550195 822589823 /nfs/dbraw/zinc/58/98/23/822589823.db2.gz OBEQHDOLICTKCC-UHFFFAOYSA-N 1 2 379.504 4.125 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CCC(C(F)(F)F)CC1 ZINC000455112501 822590670 /nfs/dbraw/zinc/59/06/70/822590670.db2.gz UTVKKIBELZMETP-UHFFFAOYSA-N 1 2 386.805 4.010 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184173693 822590749 /nfs/dbraw/zinc/59/07/49/822590749.db2.gz LXAXCMQUXILUAN-WMLDXEAASA-N 1 2 394.899 4.272 20 0 GIADLO Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047570164 822592045 /nfs/dbraw/zinc/59/20/45/822592045.db2.gz FCFCQXNZOQYEMG-CEXWTWQISA-N 1 2 381.520 4.487 20 0 GIADLO Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047570164 822592048 /nfs/dbraw/zinc/59/20/48/822592048.db2.gz FCFCQXNZOQYEMG-CEXWTWQISA-N 1 2 381.520 4.487 20 0 GIADLO C[C@H]1CCN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)C[C@H]1n1cc[nH+]c1 ZINC000184189541 822593351 /nfs/dbraw/zinc/59/33/51/822593351.db2.gz YDSHFDMDXURDQF-YVEFUNNKSA-N 1 2 388.443 4.008 20 0 GIADLO C[C@@H]1CCN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000184189489 822593406 /nfs/dbraw/zinc/59/34/06/822593406.db2.gz YDSHFDMDXURDQF-PXAZEXFGSA-N 1 2 388.443 4.008 20 0 GIADLO CC(C)COC[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccco1 ZINC000184196992 822594602 /nfs/dbraw/zinc/59/46/02/822594602.db2.gz MMYIDBYPJAIGBA-OAQYLSRUSA-N 1 2 399.535 4.212 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)CCC(=O)N2 ZINC000180009909 822595559 /nfs/dbraw/zinc/59/55/59/822595559.db2.gz RDIHFYQZTIEJGP-LBPRGKRZSA-N 1 2 382.851 4.126 20 0 GIADLO CCO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)cs1 ZINC000180020597 822598128 /nfs/dbraw/zinc/59/81/28/822598128.db2.gz VQYRGTDHMKQWJP-PBFPGSCMSA-N 1 2 389.521 4.201 20 0 GIADLO COc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1OC(C)C ZINC000184219657 822598236 /nfs/dbraw/zinc/59/82/36/822598236.db2.gz HORUVVPHEDUFCJ-UHFFFAOYSA-N 1 2 398.438 4.129 20 0 GIADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1cccnc1OC(C)C ZINC000047720990 822603875 /nfs/dbraw/zinc/60/38/75/822603875.db2.gz AIOYOPIWJPSEBI-UHFFFAOYSA-N 1 2 384.911 4.365 20 0 GIADLO C[C@]1(Cc2ccccc2)CCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000184266755 822605882 /nfs/dbraw/zinc/60/58/82/822605882.db2.gz GDXRQBWCXYLKTF-XMMPIXPASA-N 1 2 388.515 4.238 20 0 GIADLO O=C(Nc1ccccc1SC(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000047863184 822614837 /nfs/dbraw/zinc/61/48/37/822614837.db2.gz GIDATEQWHCNFDH-UHFFFAOYSA-N 1 2 382.411 4.048 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2cccnc2OC2CCCC2)c2cccc(F)c2)cn1 ZINC000180105377 822616018 /nfs/dbraw/zinc/61/60/18/822616018.db2.gz YNJFHILDOOSPCL-OAQYLSRUSA-N 1 2 380.467 4.155 20 0 GIADLO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@@H](C)Cn3cc[nH+]c3)cc12 ZINC000047931524 822620491 /nfs/dbraw/zinc/62/04/91/822620491.db2.gz CTZDCLYWRDEEIJ-LBPRGKRZSA-N 1 2 399.907 4.064 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)c1nc(C)cs1 ZINC000184372023 822623786 /nfs/dbraw/zinc/62/37/86/822623786.db2.gz BHCZXHJIXUIWEV-LLVKDONJSA-N 1 2 378.548 4.316 20 0 GIADLO CCC[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000048023764 822625662 /nfs/dbraw/zinc/62/56/62/822625662.db2.gz YFTJEZHBUHNWPQ-OAQYLSRUSA-N 1 2 376.504 4.315 20 0 GIADLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)nn1-c1ccc(F)cc1 ZINC000180152549 822627845 /nfs/dbraw/zinc/62/78/45/822627845.db2.gz VTUAWNUFEBUWME-UHFFFAOYSA-N 1 2 399.495 4.015 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000184400953 822628690 /nfs/dbraw/zinc/62/86/90/822628690.db2.gz FBDFPBYWFUMVNU-BXUZGUMPSA-N 1 2 384.814 4.253 20 0 GIADLO C[C@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cccnc1 ZINC000048067549 822628948 /nfs/dbraw/zinc/62/89/48/822628948.db2.gz WZJWMUHDFZKPCC-KBXCAEBGSA-N 1 2 390.890 4.071 20 0 GIADLO CCc1ccc([C@H]([NH2+]Cc2cccc(C)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180178918 822633359 /nfs/dbraw/zinc/63/33/59/822633359.db2.gz FRMBDHHLZPAYAY-QHCPKHFHSA-N 1 2 394.540 4.235 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000048111772 822634185 /nfs/dbraw/zinc/63/41/85/822634185.db2.gz YFZZKEMATCQAKR-UHFFFAOYSA-N 1 2 389.286 4.400 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nn1-c1cc(C)cc(C)c1 ZINC000180183065 822634408 /nfs/dbraw/zinc/63/44/08/822634408.db2.gz MBKJHURHVJOBGF-YLJYHZDGSA-N 1 2 392.507 4.109 20 0 GIADLO C[C@H]([NH2+]CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)c1nccs1 ZINC000184438319 822635238 /nfs/dbraw/zinc/63/52/38/822635238.db2.gz YOZUTMUQHOYJFA-HNNXBMFYSA-N 1 2 375.513 4.294 20 0 GIADLO O=S1(=O)CCC[C@H]([NH2+][C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)C1 ZINC000184465832 822640783 /nfs/dbraw/zinc/64/07/83/822640783.db2.gz UJSDOTSPOPMGGM-YJBOKZPZSA-N 1 2 384.328 4.250 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184483052 822643525 /nfs/dbraw/zinc/64/35/25/822643525.db2.gz YOBHRUNPEVHCBW-NSHDSACASA-N 1 2 381.929 4.392 20 0 GIADLO C[C@H](Sc1ccccc1Cl)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000048347632 822654843 /nfs/dbraw/zinc/65/48/43/822654843.db2.gz HWKMKNKDJZYGDN-HNNXBMFYSA-N 1 2 385.920 4.382 20 0 GIADLO Cc1nc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)sc1Cc1ccc(F)cc1 ZINC000455447866 822656098 /nfs/dbraw/zinc/65/60/98/822656098.db2.gz NAWRCNKYEFMHAS-HNNXBMFYSA-N 1 2 399.495 4.316 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C1=CC[C@@H](C)CC1 ZINC000455460101 822658643 /nfs/dbraw/zinc/65/86/43/822658643.db2.gz HKPICZCWAWOTEM-LJQANCHMSA-N 1 2 381.520 4.447 20 0 GIADLO CCOc1ccc(C2(CNC(=O)Nc3c(C)cc(C)[nH+]c3C)CCOCC2)cc1 ZINC000455462378 822659088 /nfs/dbraw/zinc/65/90/88/822659088.db2.gz CDABAWQCSAFIRN-UHFFFAOYSA-N 1 2 397.519 4.275 20 0 GIADLO COc1cc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1OCC(F)(F)F ZINC000455463536 822659491 /nfs/dbraw/zinc/65/94/91/822659491.db2.gz CYLIGNPYFWIJFV-UHFFFAOYSA-N 1 2 397.397 4.278 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C)c(OC)c(C)c1 ZINC000180308002 822661153 /nfs/dbraw/zinc/66/11/53/822661153.db2.gz INROEUZEDYDVKO-UHFFFAOYSA-N 1 2 381.520 4.086 20 0 GIADLO Cc1cc(C)c(NC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)[nH+]1 ZINC000455473984 822661479 /nfs/dbraw/zinc/66/14/79/822661479.db2.gz KHJPHDJXAYDCFN-UHFFFAOYSA-N 1 2 395.290 4.416 20 0 GIADLO Cn1cc([C@H]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)cn1 ZINC000184589050 822662199 /nfs/dbraw/zinc/66/21/99/822662199.db2.gz ZBGBGMMITJXMRG-JOCHJYFZSA-N 1 2 394.494 4.174 20 0 GIADLO CC(C)(C)Sc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccn1 ZINC000180323734 822663442 /nfs/dbraw/zinc/66/34/42/822663442.db2.gz YNYSCYDUCHAZGY-UHFFFAOYSA-N 1 2 380.517 4.147 20 0 GIADLO CCOc1cc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1OC(F)F ZINC000455490729 822664748 /nfs/dbraw/zinc/66/47/48/822664748.db2.gz XKJAKCOCPDZKSP-UHFFFAOYSA-N 1 2 379.407 4.329 20 0 GIADLO COC[C@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccc(C)cc1)c1ccco1 ZINC000184608378 822665064 /nfs/dbraw/zinc/66/50/64/822665064.db2.gz ZFRFFTHBTAXCDY-IBGZPJMESA-N 1 2 380.444 4.296 20 0 GIADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1)c1ccco1 ZINC000184608991 822665268 /nfs/dbraw/zinc/66/52/68/822665268.db2.gz WULFRICTAPZBIN-LAUBAEHRSA-N 1 2 378.472 4.175 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H]2CCOc3c(Br)cccc32)c(C)[nH+]1 ZINC000455495259 822665777 /nfs/dbraw/zinc/66/57/77/822665777.db2.gz FUIGACDLVFQHNF-HNNXBMFYSA-N 1 2 390.281 4.415 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c(C)[nH+]1 ZINC000455515274 822669320 /nfs/dbraw/zinc/66/93/20/822669320.db2.gz KCRAMNMKOXNPDX-SFHVURJKSA-N 1 2 382.291 4.343 20 0 GIADLO C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000184656626 822671599 /nfs/dbraw/zinc/67/15/99/822671599.db2.gz HLRCESORDJUIBI-PXNSSMCTSA-N 1 2 387.483 4.347 20 0 GIADLO CCCOc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1OCCC ZINC000180382391 822673261 /nfs/dbraw/zinc/67/32/61/822673261.db2.gz WOWROMQZPFRVML-GOSISDBHSA-N 1 2 386.496 4.157 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c[nH+]1 ZINC000455557286 822674493 /nfs/dbraw/zinc/67/44/93/822674493.db2.gz HWELTLJGHDJVJB-SFHVURJKSA-N 1 2 393.409 4.000 20 0 GIADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cs1 ZINC000184689007 822677106 /nfs/dbraw/zinc/67/71/06/822677106.db2.gz OYJARCPTNXNIAB-OLZOCXBDSA-N 1 2 388.562 4.013 20 0 GIADLO CCCCCC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000048661785 822677426 /nfs/dbraw/zinc/67/74/26/822677426.db2.gz RTVVJHXADJQPKB-KRWDZBQOSA-N 1 2 396.535 4.300 20 0 GIADLO Cc1ccc(-n2c(SCCCn3cc[nH+]c3)nnc2-c2ccncc2)cc1C ZINC000180427398 822679861 /nfs/dbraw/zinc/67/98/61/822679861.db2.gz WDDATGPTHPKMNM-UHFFFAOYSA-N 1 2 390.516 4.325 20 0 GIADLO Cc1occc1-c1nnc(SCCCn2cc[nH+]c2)n1Cc1ccccc1 ZINC000180430453 822680479 /nfs/dbraw/zinc/68/04/79/822680479.db2.gz RGCANXPQAMWSDI-UHFFFAOYSA-N 1 2 379.489 4.274 20 0 GIADLO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2csc(CC)n2)cc1 ZINC000184721533 822681833 /nfs/dbraw/zinc/68/18/33/822681833.db2.gz UDAMRXQCGVZPGK-DNVCBOLYSA-N 1 2 387.549 4.119 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC(C)(C)C1=CCCC1 ZINC000455606500 822683198 /nfs/dbraw/zinc/68/31/98/822683198.db2.gz SLQYLYVNKZEBRD-UHFFFAOYSA-N 1 2 384.568 4.466 20 0 GIADLO O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180448108 822684102 /nfs/dbraw/zinc/68/41/02/822684102.db2.gz ZUGUHHAJNTVBLB-KRWDZBQOSA-N 1 2 397.866 4.420 20 0 GIADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)cs1 ZINC000184740018 822684372 /nfs/dbraw/zinc/68/43/72/822684372.db2.gz YQHMSKYFMMDJMS-NEPJUHHUSA-N 1 2 385.489 4.332 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CCS(=O)(=O)c2cc(Cl)ccc2Cl)cs1 ZINC000184741588 822684589 /nfs/dbraw/zinc/68/45/89/822684589.db2.gz TVXJNUYRAYKSNA-SNVBAGLBSA-N 1 2 393.361 4.137 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2ccccc2SC(F)F)o1 ZINC000184787531 822690916 /nfs/dbraw/zinc/69/09/16/822690916.db2.gz VYBWNYJPSQUFGM-CQSZACIVSA-N 1 2 384.448 4.073 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccccc3CSC)CC2)c1 ZINC000184787286 822690985 /nfs/dbraw/zinc/69/09/85/822690985.db2.gz ZFUBSYOADWZKNS-QGZVFWFLSA-N 1 2 399.560 4.469 20 0 GIADLO Cc1cccc(C[NH+](Cc2cn(C)nc2-c2cccnc2)Cc2cccc(C)n2)n1 ZINC000180522056 822695578 /nfs/dbraw/zinc/69/55/78/822695578.db2.gz CKICAPJVGMGEGE-UHFFFAOYSA-N 1 2 398.514 4.091 20 0 GIADLO Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000184848520 822699998 /nfs/dbraw/zinc/69/99/98/822699998.db2.gz PMSTYPDOVJOJAK-ZBEGNZNMSA-N 1 2 395.276 4.208 20 0 GIADLO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ncc(-c2ccccc2)o1 ZINC000184855685 822701316 /nfs/dbraw/zinc/70/13/16/822701316.db2.gz ZQHRHKFSBYWWLB-HOTGVXAUSA-N 1 2 381.451 4.351 20 0 GIADLO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1ncc(-c2ccccc2)o1 ZINC000184859710 822701949 /nfs/dbraw/zinc/70/19/49/822701949.db2.gz GVYVTEXMWHRDKF-AOMKIAJQSA-N 1 2 375.472 4.260 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1CCCc2ccccc21 ZINC000184861954 822702392 /nfs/dbraw/zinc/70/23/92/822702392.db2.gz OBFMEEDMOCTWNO-IRXDYDNUSA-N 1 2 375.472 4.360 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000184869152 822703974 /nfs/dbraw/zinc/70/39/74/822703974.db2.gz GMBURSIGUWZILN-JYJNAYRXSA-N 1 2 381.451 4.397 20 0 GIADLO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184873778 822705005 /nfs/dbraw/zinc/70/50/05/822705005.db2.gz AGJHGEAKWMLHEQ-HZPDHXFCSA-N 1 2 379.460 4.418 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1CCc2sccc2C1 ZINC000184879766 822706256 /nfs/dbraw/zinc/70/62/56/822706256.db2.gz IMUMUZRNEMARBI-GJZGRUSLSA-N 1 2 381.501 4.027 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184904293 822710630 /nfs/dbraw/zinc/71/06/30/822710630.db2.gz KYTGYJLPMXWDOT-CABCVRRESA-N 1 2 377.444 4.222 20 0 GIADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)o1 ZINC000180606944 822711010 /nfs/dbraw/zinc/71/10/10/822711010.db2.gz KBTBQVUTMHOVCZ-CQSZACIVSA-N 1 2 382.439 4.435 20 0 GIADLO CCCCCCOc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000049934920 822711576 /nfs/dbraw/zinc/71/15/76/822711576.db2.gz OURLMQBYBMQRDE-UHFFFAOYSA-N 1 2 397.519 4.012 20 0 GIADLO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180612976 822712485 /nfs/dbraw/zinc/71/24/85/822712485.db2.gz KSIDCVUUVKLHPC-NRFANRHFSA-N 1 2 388.471 4.182 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)c1ccc2c(c1)OCO2 ZINC000184957858 822718359 /nfs/dbraw/zinc/71/83/59/822718359.db2.gz WPDCNBSJWFFZEZ-NXEZZACHSA-N 1 2 382.229 4.434 20 0 GIADLO CC(=O)c1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)cc1 ZINC000184961228 822718890 /nfs/dbraw/zinc/71/88/90/822718890.db2.gz HGACGWBNNDBMJX-HNNXBMFYSA-N 1 2 386.517 4.050 20 0 GIADLO CC(=O)c1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cc1 ZINC000184961228 822718894 /nfs/dbraw/zinc/71/88/94/822718894.db2.gz HGACGWBNNDBMJX-HNNXBMFYSA-N 1 2 386.517 4.050 20 0 GIADLO CC(=O)c1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cc1 ZINC000184961205 822719031 /nfs/dbraw/zinc/71/90/31/822719031.db2.gz HGACGWBNNDBMJX-OAHLLOKOSA-N 1 2 386.517 4.050 20 0 GIADLO CC(=O)c1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)cc1 ZINC000184961205 822719032 /nfs/dbraw/zinc/71/90/32/822719032.db2.gz HGACGWBNNDBMJX-OAHLLOKOSA-N 1 2 386.517 4.050 20 0 GIADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000184981315 822721430 /nfs/dbraw/zinc/72/14/30/822721430.db2.gz QVSJGNOQRDJYSR-CRAIPNDOSA-N 1 2 383.521 4.195 20 0 GIADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000184981315 822721432 /nfs/dbraw/zinc/72/14/32/822721432.db2.gz QVSJGNOQRDJYSR-CRAIPNDOSA-N 1 2 383.521 4.195 20 0 GIADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S ZINC000184990048 822722536 /nfs/dbraw/zinc/72/25/36/822722536.db2.gz NUNJLNVXPUHBDT-MAUKXSAKSA-N 1 2 383.521 4.195 20 0 GIADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S ZINC000184990048 822722537 /nfs/dbraw/zinc/72/25/37/822722537.db2.gz NUNJLNVXPUHBDT-MAUKXSAKSA-N 1 2 383.521 4.195 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000050273876 822723292 /nfs/dbraw/zinc/72/32/92/822723292.db2.gz JPTMFSVNUQVUCT-LBPRGKRZSA-N 1 2 384.892 4.151 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000050273876 822723294 /nfs/dbraw/zinc/72/32/94/822723294.db2.gz JPTMFSVNUQVUCT-LBPRGKRZSA-N 1 2 384.892 4.151 20 0 GIADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC000455789348 822726962 /nfs/dbraw/zinc/72/69/62/822726962.db2.gz LKHYRFLYBKDTCV-QGZVFWFLSA-N 1 2 395.503 4.410 20 0 GIADLO CCC(CC)(C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(OC)c(OC)c1 ZINC000185124723 822740116 /nfs/dbraw/zinc/74/01/16/822740116.db2.gz YDEWDICXOTWTSX-IEBWSBKVSA-N 1 2 399.535 4.068 20 0 GIADLO CCC(CC)(C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(OC)c(OC)c1 ZINC000185124757 822740120 /nfs/dbraw/zinc/74/01/20/822740120.db2.gz YDEWDICXOTWTSX-MJGOQNOKSA-N 1 2 399.535 4.068 20 0 GIADLO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc(C(C)C)c3)CC2)s1 ZINC000051098506 822746419 /nfs/dbraw/zinc/74/64/19/822746419.db2.gz XPCCFJMDDRGDIM-UHFFFAOYSA-N 1 2 399.560 4.013 20 0 GIADLO COc1c(C)c[nH+]c(CN[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1C ZINC000051164916 822748966 /nfs/dbraw/zinc/74/89/66/822748966.db2.gz BZTDRQDCIGJLIH-NRFANRHFSA-N 1 2 393.462 4.316 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(Br)cc(F)c1O ZINC000185232501 822752585 /nfs/dbraw/zinc/75/25/85/822752585.db2.gz ODZRCIUKKUGTIA-JTQLQIEISA-N 1 2 385.252 4.350 20 0 GIADLO C[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1nc(C2CCCCC2)no1 ZINC000185252518 822754820 /nfs/dbraw/zinc/75/48/20/822754820.db2.gz HYVGEOCWXKMUKD-CYBMUJFWSA-N 1 2 376.888 4.450 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2ccc(Cl)cc2Cl)c1C ZINC000051335599 822756664 /nfs/dbraw/zinc/75/66/64/822756664.db2.gz NOHQLASHHQJYCO-UHFFFAOYSA-N 1 2 382.291 4.355 20 0 GIADLO C[C@H](Sc1ccccc1Cl)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000051376802 822757981 /nfs/dbraw/zinc/75/79/81/822757981.db2.gz UFFGFRLNBSKUAT-AWEZNQCLSA-N 1 2 375.925 4.132 20 0 GIADLO Fc1ccc(-c2cn3nc(NCc4cc[nH+]c(N5CCCC5)c4)sc3n2)cc1 ZINC000051650482 822771551 /nfs/dbraw/zinc/77/15/51/822771551.db2.gz GWTCQWWRKVSOLC-UHFFFAOYSA-N 1 2 394.479 4.204 20 0 GIADLO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)cc1OC ZINC000051679778 822773424 /nfs/dbraw/zinc/77/34/24/822773424.db2.gz KAWTYOMRWJRSMY-ZDUSSCGKSA-N 1 2 396.940 4.036 20 0 GIADLO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)cc1OC ZINC000051679778 822773426 /nfs/dbraw/zinc/77/34/26/822773426.db2.gz KAWTYOMRWJRSMY-ZDUSSCGKSA-N 1 2 396.940 4.036 20 0 GIADLO C[N@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)Cc1ccsc1 ZINC000051882565 822781907 /nfs/dbraw/zinc/78/19/07/822781907.db2.gz HVEHPIIACODVSI-OAQYLSRUSA-N 1 2 382.554 4.416 20 0 GIADLO C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)Cc1ccsc1 ZINC000051882565 822781911 /nfs/dbraw/zinc/78/19/11/822781911.db2.gz HVEHPIIACODVSI-OAQYLSRUSA-N 1 2 382.554 4.416 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C(F)(F)F)C[C@@H]3C)cn2c1 ZINC000456130493 822782121 /nfs/dbraw/zinc/78/21/21/822782121.db2.gz QDUCQYALRPXVMU-KBPBESRZSA-N 1 2 385.455 4.065 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(OC(C)C)cc3F)cn2c1 ZINC000052222317 822793449 /nfs/dbraw/zinc/79/34/49/822793449.db2.gz SWGJIPWQQTWMPP-UHFFFAOYSA-N 1 2 387.480 4.441 20 0 GIADLO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000052327139 822796536 /nfs/dbraw/zinc/79/65/36/822796536.db2.gz VBFVCHQZVVQDLP-INIZCTEOSA-N 1 2 391.437 4.180 20 0 GIADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000185583462 822799165 /nfs/dbraw/zinc/79/91/65/822799165.db2.gz MCMXIKFRFIFXAC-AWEZNQCLSA-N 1 2 397.441 4.146 20 0 GIADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000185583462 822799166 /nfs/dbraw/zinc/79/91/66/822799166.db2.gz MCMXIKFRFIFXAC-AWEZNQCLSA-N 1 2 397.441 4.146 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000052449436 822800124 /nfs/dbraw/zinc/80/01/24/822800124.db2.gz HFEFBVQRYFJXID-UHFFFAOYSA-N 1 2 375.457 4.032 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nc(-c2cccc(C)c2)no1 ZINC000185637268 822805255 /nfs/dbraw/zinc/80/52/55/822805255.db2.gz ZBNPRGRBUBOLBP-LBPRGKRZSA-N 1 2 393.413 4.271 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638365 822805989 /nfs/dbraw/zinc/80/59/89/822805989.db2.gz VLNWZGMLUNGYNE-WMZOPIPTSA-N 1 2 399.705 4.175 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638365 822805992 /nfs/dbraw/zinc/80/59/92/822805992.db2.gz VLNWZGMLUNGYNE-WMZOPIPTSA-N 1 2 399.705 4.175 20 0 GIADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1C ZINC000052749603 822809350 /nfs/dbraw/zinc/80/93/50/822809350.db2.gz OSYZSECSZSXILU-LJQANCHMSA-N 1 2 399.498 4.171 20 0 GIADLO O=C(CCc1ccsc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052750674 822809546 /nfs/dbraw/zinc/80/95/46/822809546.db2.gz BLNOWZNZBKYVFO-UHFFFAOYSA-N 1 2 382.451 4.044 20 0 GIADLO Cc1noc([C@@H]2CCC[N@H+](Cc3csc(COc4ccc(C)cc4)n3)C2)n1 ZINC000052862352 822813146 /nfs/dbraw/zinc/81/31/46/822813146.db2.gz KAHOFLJVANNGLG-MRXNPFEDSA-N 1 2 384.505 4.102 20 0 GIADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3csc(COc4ccc(C)cc4)n3)C2)n1 ZINC000052862352 822813150 /nfs/dbraw/zinc/81/31/50/822813150.db2.gz KAHOFLJVANNGLG-MRXNPFEDSA-N 1 2 384.505 4.102 20 0 GIADLO C[C@H](O)C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccccc1 ZINC000185738150 822816310 /nfs/dbraw/zinc/81/63/10/822816310.db2.gz IVPPTDGDXRPAMC-KCQAQPDRSA-N 1 2 396.300 4.499 20 0 GIADLO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)cc1OC ZINC000053125296 822822762 /nfs/dbraw/zinc/82/27/62/822822762.db2.gz CPRJSEPCYAYWGJ-CVEARBPZSA-N 1 2 388.483 4.022 20 0 GIADLO COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)cc1OC ZINC000053125296 822822764 /nfs/dbraw/zinc/82/27/64/822822764.db2.gz CPRJSEPCYAYWGJ-CVEARBPZSA-N 1 2 388.483 4.022 20 0 GIADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)Cc3cnc(C)s3)ccc2c1 ZINC000053154160 822823975 /nfs/dbraw/zinc/82/39/75/822823975.db2.gz DDAXDJCEDZJLBO-HNNXBMFYSA-N 1 2 397.544 4.092 20 0 GIADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+](C)Cc3cnc(C)s3)ccc2c1 ZINC000053154160 822823977 /nfs/dbraw/zinc/82/39/77/822823977.db2.gz DDAXDJCEDZJLBO-HNNXBMFYSA-N 1 2 397.544 4.092 20 0 GIADLO CCCCc1ccc(C(=O)CCC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000053189100 822825631 /nfs/dbraw/zinc/82/56/31/822825631.db2.gz QJZSQQMCDLZMPV-UHFFFAOYSA-N 1 2 393.531 4.172 20 0 GIADLO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(Cl)ccc1OC(F)F)n2C ZINC000185839432 822826164 /nfs/dbraw/zinc/82/61/64/822826164.db2.gz PAZFOJIMWFNNKK-UHFFFAOYSA-N 1 2 381.810 4.127 20 0 GIADLO COc1ccccc1C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)C1CC1 ZINC000053238345 822827580 /nfs/dbraw/zinc/82/75/80/822827580.db2.gz AJPNBRTYXXYPFT-UHFFFAOYSA-N 1 2 393.531 4.207 20 0 GIADLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)C1CC1 ZINC000053238345 822827582 /nfs/dbraw/zinc/82/75/82/822827582.db2.gz AJPNBRTYXXYPFT-UHFFFAOYSA-N 1 2 393.531 4.207 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N(CC)C1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185918900 822833392 /nfs/dbraw/zinc/83/33/92/822833392.db2.gz YUHQMJFZEUHBSP-CYBMUJFWSA-N 1 2 377.476 4.384 20 0 GIADLO C[C@@H](c1cccs1)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000053429331 822834844 /nfs/dbraw/zinc/83/48/44/822834844.db2.gz JZDXNBKSWMIIJZ-HOCLYGCPSA-N 1 2 383.473 4.305 20 0 GIADLO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000053429331 822834846 /nfs/dbraw/zinc/83/48/46/822834846.db2.gz JZDXNBKSWMIIJZ-HOCLYGCPSA-N 1 2 383.473 4.305 20 0 GIADLO COc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)ccc1OC1CCCC1 ZINC000053439109 822835122 /nfs/dbraw/zinc/83/51/22/822835122.db2.gz TUDRMHOOVZSWSX-UHFFFAOYSA-N 1 2 391.471 4.132 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1nc(C(F)(F)F)cs1 ZINC000185957545 822837351 /nfs/dbraw/zinc/83/73/51/822837351.db2.gz WMCMSODYHBENKI-CQSZACIVSA-N 1 2 397.466 4.398 20 0 GIADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000186007301 822843443 /nfs/dbraw/zinc/84/34/43/822843443.db2.gz OAXZMBQLROIZLH-QGZVFWFLSA-N 1 2 394.479 4.200 20 0 GIADLO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000174861821 822847858 /nfs/dbraw/zinc/84/78/58/822847858.db2.gz BMNHXKHOGHUPOT-NRFANRHFSA-N 1 2 380.536 4.153 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1Cn1cccn1 ZINC000186059183 822848198 /nfs/dbraw/zinc/84/81/98/822848198.db2.gz KWZFSUMEVYBYCX-SFHVURJKSA-N 1 2 399.498 4.248 20 0 GIADLO C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[C@@H]1c1ccccc1 ZINC000174862709 822848237 /nfs/dbraw/zinc/84/82/37/822848237.db2.gz UHEQPUQSTXVMCX-RXVVDRJESA-N 1 2 378.520 4.017 20 0 GIADLO C[C@H]1CCN(C(=O)CCCc2cccc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000186096112 822851194 /nfs/dbraw/zinc/85/11/94/822851194.db2.gz RZSGZPXEFHMNTC-MAUKXSAKSA-N 1 2 379.426 4.334 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000174896199 822852091 /nfs/dbraw/zinc/85/20/91/822852091.db2.gz HJOPURYNYAFVFY-RBUKOAKNSA-N 1 2 399.485 4.228 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(c2ccccc2)CCC1 ZINC000174902534 822853108 /nfs/dbraw/zinc/85/31/08/822853108.db2.gz XYOCTSHESGBQTG-UHFFFAOYSA-N 1 2 377.532 4.268 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000174902680 822853138 /nfs/dbraw/zinc/85/31/38/822853138.db2.gz CQWJMXRCGXAUCQ-UHFFFAOYSA-N 1 2 376.504 4.250 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000174906931 822853925 /nfs/dbraw/zinc/85/39/25/822853925.db2.gz GSVVZTRLXCCMBG-MSOLQXFVSA-N 1 2 399.485 4.228 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000174907186 822853932 /nfs/dbraw/zinc/85/39/32/822853932.db2.gz BJQBZSKGQWGRFG-AZUAARDMSA-N 1 2 399.485 4.228 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000174907205 822853941 /nfs/dbraw/zinc/85/39/41/822853941.db2.gz BJQBZSKGQWGRFG-ICSRJNTNSA-N 1 2 399.485 4.228 20 0 GIADLO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000186127461 822854054 /nfs/dbraw/zinc/85/40/54/822854054.db2.gz NWHQHFDGOFLLFJ-UHFFFAOYSA-N 1 2 399.838 4.436 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000174911483 822854658 /nfs/dbraw/zinc/85/46/58/822854658.db2.gz GGVGBPOJPQLWSW-SFHVURJKSA-N 1 2 383.511 4.164 20 0 GIADLO COc1cccc(F)c1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000186138417 822854955 /nfs/dbraw/zinc/85/49/55/822854955.db2.gz ULMZMBKLWRNZTN-PKOBYXMFSA-N 1 2 380.423 4.081 20 0 GIADLO COc1cccc(C([NH2+]Cc2c(C)nn(C)c2Cl)c2cccc(OC)c2)c1 ZINC000174929458 822857389 /nfs/dbraw/zinc/85/73/89/822857389.db2.gz KEGABGGSMWGVAA-UHFFFAOYSA-N 1 2 385.895 4.278 20 0 GIADLO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000568969079 822866085 /nfs/dbraw/zinc/86/60/85/822866085.db2.gz ZKWJOBVHDCXEDR-XIKOKIGWSA-N 1 2 383.293 4.257 20 0 GIADLO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000568969079 822866090 /nfs/dbraw/zinc/86/60/90/822866090.db2.gz ZKWJOBVHDCXEDR-XIKOKIGWSA-N 1 2 383.293 4.257 20 0 GIADLO CCOc1cc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)ccc1C ZINC000568977783 822867032 /nfs/dbraw/zinc/86/70/32/822867032.db2.gz SNONXDXWKIWCGQ-UHFFFAOYSA-N 1 2 378.476 4.003 20 0 GIADLO COc1cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1OC(C)C ZINC000186269483 822867749 /nfs/dbraw/zinc/86/77/49/822867749.db2.gz MSLWKJMQRQHSNQ-UHFFFAOYSA-N 1 2 394.475 4.049 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCCCc1ccc(Cl)s1)C2 ZINC000569030714 822871201 /nfs/dbraw/zinc/87/12/01/822871201.db2.gz SVYDPAUKLZXRIH-CYBMUJFWSA-N 1 2 379.957 4.492 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCCCc1ccc(Cl)s1)CC2 ZINC000569030714 822871202 /nfs/dbraw/zinc/87/12/02/822871202.db2.gz SVYDPAUKLZXRIH-CYBMUJFWSA-N 1 2 379.957 4.492 20 0 GIADLO Cc1c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cnn1-c1ccccc1 ZINC000054277594 822872646 /nfs/dbraw/zinc/87/26/46/822872646.db2.gz TXKSGDINHPLXAM-HNNXBMFYSA-N 1 2 395.532 4.121 20 0 GIADLO Cc1c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cnn1-c1ccccc1 ZINC000054277594 822872647 /nfs/dbraw/zinc/87/26/47/822872647.db2.gz TXKSGDINHPLXAM-HNNXBMFYSA-N 1 2 395.532 4.121 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)NC3(c4ccccc4)CCC3)CC2)cc1 ZINC000054317775 822875987 /nfs/dbraw/zinc/87/59/87/822875987.db2.gz HGZHTEIJCAYCRB-UHFFFAOYSA-N 1 2 390.527 4.085 20 0 GIADLO C[N@H+](Cc1cc(-c2ccco2)on1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339313 822877065 /nfs/dbraw/zinc/87/70/65/822877065.db2.gz UMSLVURNNKTPRB-MAUKXSAKSA-N 1 2 379.243 4.332 20 0 GIADLO C[N@@H+](Cc1cc(-c2ccco2)on1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339313 822877068 /nfs/dbraw/zinc/87/70/68/822877068.db2.gz UMSLVURNNKTPRB-MAUKXSAKSA-N 1 2 379.243 4.332 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)Cc3cccc(C(C)C)c3)CCCC2)no1 ZINC000457465823 822877802 /nfs/dbraw/zinc/87/78/02/822877802.db2.gz AYGMXBWWXLFOTL-UHFFFAOYSA-N 1 2 398.551 4.163 20 0 GIADLO O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000175083041 822879272 /nfs/dbraw/zinc/87/92/72/822879272.db2.gz IGYDVUJUXDLKSV-UHFFFAOYSA-N 1 2 385.876 4.285 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1c(C)cccc1C(C)C)C2 ZINC000054391373 822881102 /nfs/dbraw/zinc/88/11/02/822881102.db2.gz ZMVPZSZAJHVEHN-QGZVFWFLSA-N 1 2 393.531 4.462 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1c(C)cccc1C(C)C)C2 ZINC000054391373 822881108 /nfs/dbraw/zinc/88/11/08/822881108.db2.gz ZMVPZSZAJHVEHN-QGZVFWFLSA-N 1 2 393.531 4.462 20 0 GIADLO CCOc1ccccc1CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000054433896 822885117 /nfs/dbraw/zinc/88/51/17/822885117.db2.gz HFWLJKNZHLGRHY-QZTJIDSGSA-N 1 2 397.519 4.016 20 0 GIADLO CCCCOc1cccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000054451645 822887260 /nfs/dbraw/zinc/88/72/60/822887260.db2.gz OOZVPTVQMUZRDK-UHFFFAOYSA-N 1 2 392.503 4.475 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CN3C(=O)C[C@@H]3c3ccccc3)CC2)c(C)c1 ZINC000054463446 822887446 /nfs/dbraw/zinc/88/74/46/822887446.db2.gz HDKKUKAAQYYJLW-JOCHJYFZSA-N 1 2 376.500 4.129 20 0 GIADLO Cn1c[nH+]c(CCNC(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)c1 ZINC000457553844 822890171 /nfs/dbraw/zinc/89/01/71/822890171.db2.gz RDOWPJGNSAZYAB-QFIPXVFZSA-N 1 2 376.504 4.026 20 0 GIADLO Cc1noc(C2C[NH+](Cc3cn(C(C)(C)C)nc3-c3ccccc3Cl)C2)n1 ZINC000569206018 822893024 /nfs/dbraw/zinc/89/30/24/822893024.db2.gz WAJGVXASCMBZEQ-UHFFFAOYSA-N 1 2 385.899 4.249 20 0 GIADLO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000186428296 822893373 /nfs/dbraw/zinc/89/33/73/822893373.db2.gz RUMMLERMNPQABC-UHFFFAOYSA-N 1 2 396.535 4.450 20 0 GIADLO c1ccc(C[C@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)c2ccccc2)cc1 ZINC000186437908 822895539 /nfs/dbraw/zinc/89/55/39/822895539.db2.gz AKLFLTWBWKYRLI-QFIPXVFZSA-N 1 2 384.483 4.457 20 0 GIADLO O=C1CCc2nc(NCc3ccccc3-c3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC000569263642 822898063 /nfs/dbraw/zinc/89/80/63/822898063.db2.gz PFRSWJDDCBMMBH-UHFFFAOYSA-N 1 2 394.478 4.156 20 0 GIADLO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1cc(Br)cc(F)c1O ZINC000186472664 822900746 /nfs/dbraw/zinc/90/07/46/822900746.db2.gz HRFOCWUJKHFURL-NSHDSACASA-N 1 2 392.272 4.074 20 0 GIADLO Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000175203186 822903444 /nfs/dbraw/zinc/90/34/44/822903444.db2.gz PLETWSSPMOQPCX-UHFFFAOYSA-N 1 2 385.533 4.194 20 0 GIADLO Cc1c(Cl)cncc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457666964 822903731 /nfs/dbraw/zinc/90/37/31/822903731.db2.gz KTVVAIKMAVFDCX-DLBZAZTESA-N 1 2 382.266 4.011 20 0 GIADLO Cc1c(Cl)cncc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457666964 822903734 /nfs/dbraw/zinc/90/37/34/822903734.db2.gz KTVVAIKMAVFDCX-DLBZAZTESA-N 1 2 382.266 4.011 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000175212584 822905676 /nfs/dbraw/zinc/90/56/76/822905676.db2.gz COTGNSOXKGHULL-HUUCEWRRSA-N 1 2 399.457 4.102 20 0 GIADLO CN(Cc1cc2ccccc2o1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000175233682 822910559 /nfs/dbraw/zinc/91/05/59/822910559.db2.gz GHFGHBNFAYIIGD-UHFFFAOYSA-N 1 2 378.476 4.160 20 0 GIADLO CC(C)c1cccc(CC(=O)N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)c1 ZINC000457729008 822911881 /nfs/dbraw/zinc/91/18/81/822911881.db2.gz KBASJYPJSPRVHP-HXUWFJFHSA-N 1 2 397.588 4.322 20 0 GIADLO CC(C)c1cccc(CC(=O)N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)c1 ZINC000457729008 822911882 /nfs/dbraw/zinc/91/18/82/822911882.db2.gz KBASJYPJSPRVHP-HXUWFJFHSA-N 1 2 397.588 4.322 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Oc2cccc(C)c2)cn1 ZINC000457763966 822916439 /nfs/dbraw/zinc/91/64/39/822916439.db2.gz RIQAJOWMEHWPLB-UHFFFAOYSA-N 1 2 392.503 4.494 20 0 GIADLO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000175260190 822917674 /nfs/dbraw/zinc/91/76/74/822917674.db2.gz PTUZQMLBMSXLBL-OAHLLOKOSA-N 1 2 393.314 4.293 20 0 GIADLO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000175260190 822917677 /nfs/dbraw/zinc/91/76/77/822917677.db2.gz PTUZQMLBMSXLBL-OAHLLOKOSA-N 1 2 393.314 4.293 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)cs2)cc1 ZINC000569412901 822918913 /nfs/dbraw/zinc/91/89/13/822918913.db2.gz PHEMICGWESCWQH-OALUTQOASA-N 1 2 398.528 4.130 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)cs2)cc1 ZINC000569412901 822918916 /nfs/dbraw/zinc/91/89/16/822918916.db2.gz PHEMICGWESCWQH-OALUTQOASA-N 1 2 398.528 4.130 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cs2)cc1 ZINC000569412900 822919007 /nfs/dbraw/zinc/91/90/07/822919007.db2.gz PHEMICGWESCWQH-MOPGFXCFSA-N 1 2 398.528 4.130 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cs2)cc1 ZINC000569412900 822919011 /nfs/dbraw/zinc/91/90/11/822919011.db2.gz PHEMICGWESCWQH-MOPGFXCFSA-N 1 2 398.528 4.130 20 0 GIADLO CC[C@H](C)n1ncc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1C ZINC000569421650 822920712 /nfs/dbraw/zinc/92/07/12/822920712.db2.gz OGYJJHALFSXQJW-AWEZNQCLSA-N 1 2 375.542 4.103 20 0 GIADLO Fc1ccc(OCc2nc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)cs2)cc1 ZINC000186605172 822922582 /nfs/dbraw/zinc/92/25/82/822922582.db2.gz XRWNXXJCLOXXTE-JOCHJYFZSA-N 1 2 396.487 4.493 20 0 GIADLO Fc1ccc(OCc2nc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)cs2)cc1 ZINC000186605172 822922585 /nfs/dbraw/zinc/92/25/85/822922585.db2.gz XRWNXXJCLOXXTE-JOCHJYFZSA-N 1 2 396.487 4.493 20 0 GIADLO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000569447860 822924973 /nfs/dbraw/zinc/92/49/73/822924973.db2.gz WXFNNWIYHQTCNL-WMZOPIPTSA-N 1 2 375.472 4.064 20 0 GIADLO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000569499023 822930150 /nfs/dbraw/zinc/93/01/50/822930150.db2.gz AEGFCVQXPKWZPK-HNNXBMFYSA-N 1 2 399.878 4.251 20 0 GIADLO Cc1occc1-c1nn(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c(=S)n1C ZINC000055018658 822931961 /nfs/dbraw/zinc/93/19/61/822931961.db2.gz SCNCYCBBIJSEHU-KRWDZBQOSA-N 1 2 386.496 4.323 20 0 GIADLO Cc1occc1-c1nn(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c(=S)n1C ZINC000055018658 822931967 /nfs/dbraw/zinc/93/19/67/822931967.db2.gz SCNCYCBBIJSEHU-KRWDZBQOSA-N 1 2 386.496 4.323 20 0 GIADLO O=C(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccccc1SC(F)F ZINC000186668140 822933602 /nfs/dbraw/zinc/93/36/02/822933602.db2.gz YSJMGIJKSLQTQW-HXUWFJFHSA-N 1 2 390.455 4.071 20 0 GIADLO O=C(C[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccccc1SC(F)F ZINC000186668140 822933607 /nfs/dbraw/zinc/93/36/07/822933607.db2.gz YSJMGIJKSLQTQW-HXUWFJFHSA-N 1 2 390.455 4.071 20 0 GIADLO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1nc2c(s1)CCC2 ZINC000457921147 822936208 /nfs/dbraw/zinc/93/62/08/822936208.db2.gz NCUUXXYVSOWWLL-KSSFIOAISA-N 1 2 387.524 4.003 20 0 GIADLO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1nc2c(s1)CCC2 ZINC000457921147 822936212 /nfs/dbraw/zinc/93/62/12/822936212.db2.gz NCUUXXYVSOWWLL-KSSFIOAISA-N 1 2 387.524 4.003 20 0 GIADLO O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cccc(-n2cc[nH+]c2)c1 ZINC000186739768 822948059 /nfs/dbraw/zinc/94/80/59/822948059.db2.gz VYKUXSMBAVAWJE-UHFFFAOYSA-N 1 2 386.377 4.003 20 0 GIADLO CC[C@@H]([NH2+]Cc1cc(Br)ccc1Br)c1nccn1C ZINC000186760320 822950950 /nfs/dbraw/zinc/95/09/50/822950950.db2.gz SDIAWXLJVAJAGN-CYBMUJFWSA-N 1 2 387.119 4.186 20 0 GIADLO Cn1cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(C2CCCCC2)n1 ZINC000569667402 822952783 /nfs/dbraw/zinc/95/27/83/822952783.db2.gz ZSYUTFONXDLPTR-UHFFFAOYSA-N 1 2 392.507 4.034 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000569678913 822954380 /nfs/dbraw/zinc/95/43/80/822954380.db2.gz QKSRYIADYQCHPY-OAQYLSRUSA-N 1 2 396.441 4.086 20 0 GIADLO CC[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(OC(F)(F)F)cc1 ZINC000569703881 822956972 /nfs/dbraw/zinc/95/69/72/822956972.db2.gz DULVBSPLQFCPDL-KRWDZBQOSA-N 1 2 381.398 4.380 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000175392783 822957079 /nfs/dbraw/zinc/95/70/79/822957079.db2.gz XNHWIJVDFNJKRY-QFIPXVFZSA-N 1 2 390.531 4.302 20 0 GIADLO O=C(COc1ccc(Cl)c2cccnc12)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000055408947 822958614 /nfs/dbraw/zinc/95/86/14/822958614.db2.gz UOQZTELVCOMZGF-UHFFFAOYSA-N 1 2 378.819 4.091 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1Cn1cccn1 ZINC000186824013 822961957 /nfs/dbraw/zinc/96/19/57/822961957.db2.gz OADZDZYQVYYZQT-MRXNPFEDSA-N 1 2 398.507 4.094 20 0 GIADLO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000175433002 822967616 /nfs/dbraw/zinc/96/76/16/822967616.db2.gz SWUKYUZELIUBFS-JTSKRJEESA-N 1 2 392.478 4.363 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000186901334 822977019 /nfs/dbraw/zinc/97/70/19/822977019.db2.gz OJSMELGXUPHKQQ-QHCPKHFHSA-N 1 2 378.447 4.470 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000186901334 822977023 /nfs/dbraw/zinc/97/70/23/822977023.db2.gz OJSMELGXUPHKQQ-QHCPKHFHSA-N 1 2 378.447 4.470 20 0 GIADLO C[C@H](NC[C@H](c1ccco1)[NH+]1CCCC1)c1ncc(Br)cc1F ZINC000186914908 822979449 /nfs/dbraw/zinc/97/94/49/822979449.db2.gz GIGSFMDUCHXLHC-SWLSCSKDSA-N 1 2 382.277 4.064 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2CCC(C)(CO)CC2)cs1)c1cccc(C)c1C ZINC000186919573 822980104 /nfs/dbraw/zinc/98/01/04/822980104.db2.gz CUESANSEUQNIIO-UHFFFAOYSA-N 1 2 387.549 4.039 20 0 GIADLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000186962713 822988169 /nfs/dbraw/zinc/98/81/69/822988169.db2.gz SDSDPMFJFRAQBW-MNOVXSKESA-N 1 2 380.261 4.353 20 0 GIADLO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC(C)(C)[C@H]2c2cccs2)c1 ZINC000569978691 822992422 /nfs/dbraw/zinc/99/24/22/822992422.db2.gz KVHXNZNFUJOOJD-RDTXWAMCSA-N 1 2 386.517 4.253 20 0 GIADLO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC(C)(C)[C@H]2c2cccs2)c1 ZINC000569978691 822992426 /nfs/dbraw/zinc/99/24/26/822992426.db2.gz KVHXNZNFUJOOJD-RDTXWAMCSA-N 1 2 386.517 4.253 20 0 GIADLO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000175562479 822998287 /nfs/dbraw/zinc/99/82/87/822998287.db2.gz XYTUNHWAAZZTPL-MRXNPFEDSA-N 1 2 397.548 4.161 20 0 GIADLO COc1ccc([C@@H](C)[N@H+](C)Cc2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC000175575874 823000887 /nfs/dbraw/zinc/00/08/87/823000887.db2.gz RIDKLQRAPZVZTC-MRXNPFEDSA-N 1 2 395.528 4.275 20 0 GIADLO COc1ccc([C@@H](C)[N@@H+](C)Cc2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC000175575874 823000892 /nfs/dbraw/zinc/00/08/92/823000892.db2.gz RIDKLQRAPZVZTC-MRXNPFEDSA-N 1 2 395.528 4.275 20 0 GIADLO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187047704 823003570 /nfs/dbraw/zinc/00/35/70/823003570.db2.gz YPAQJZMWTUQBAK-MRXNPFEDSA-N 1 2 375.563 4.269 20 0 GIADLO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187047704 823003572 /nfs/dbraw/zinc/00/35/72/823003572.db2.gz YPAQJZMWTUQBAK-MRXNPFEDSA-N 1 2 375.563 4.269 20 0 GIADLO CC(C)c1ccc(-c2noc([C@@H](c3ccccc3)[NH+]3CCSCC3)n2)cn1 ZINC000570082921 823004347 /nfs/dbraw/zinc/00/43/47/823004347.db2.gz DHDRBQLVLLAISU-LJQANCHMSA-N 1 2 380.517 4.393 20 0 GIADLO Fc1ccc2c(c1)onc2C1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000570204663 823014921 /nfs/dbraw/zinc/01/49/21/823014921.db2.gz VWYLDOPONZBVST-UHFFFAOYSA-N 1 2 378.407 4.397 20 0 GIADLO Cc1cccc(C)c1OCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000570233036 823017326 /nfs/dbraw/zinc/01/73/26/823017326.db2.gz DHGDNEJTHHFNAQ-HNNXBMFYSA-N 1 2 383.414 4.397 20 0 GIADLO Cc1cccc(C)c1OCC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000570233036 823017330 /nfs/dbraw/zinc/01/73/30/823017330.db2.gz DHGDNEJTHHFNAQ-HNNXBMFYSA-N 1 2 383.414 4.397 20 0 GIADLO Cc1ccc(C[S@@](=O)[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c(C)[nH+]1 ZINC000187162245 823019252 /nfs/dbraw/zinc/01/92/52/823019252.db2.gz VRQLTPXJLWQWQM-ZJWNCGCPSA-N 1 2 375.881 4.412 20 0 GIADLO C[C@@H](c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1)C(F)(F)F ZINC000570252747 823019560 /nfs/dbraw/zinc/01/95/60/823019560.db2.gz HGIKOKFQQOCXMN-APHBMKBZSA-N 1 2 381.398 4.328 20 0 GIADLO C[C@@H](c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1)C(F)(F)F ZINC000570252747 823019561 /nfs/dbraw/zinc/01/95/61/823019561.db2.gz HGIKOKFQQOCXMN-APHBMKBZSA-N 1 2 381.398 4.328 20 0 GIADLO C[C@@H](c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1)C(F)(F)F ZINC000570252750 823019574 /nfs/dbraw/zinc/01/95/74/823019574.db2.gz HGIKOKFQQOCXMN-VBNZEHGJSA-N 1 2 381.398 4.328 20 0 GIADLO C[C@@H](c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1)C(F)(F)F ZINC000570252750 823019575 /nfs/dbraw/zinc/01/95/75/823019575.db2.gz HGIKOKFQQOCXMN-VBNZEHGJSA-N 1 2 381.398 4.328 20 0 GIADLO C[C@H](CNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)Cn1cc[nH+]c1 ZINC000187191708 823023069 /nfs/dbraw/zinc/02/30/69/823023069.db2.gz PSIAGPULVITBCK-CYBMUJFWSA-N 1 2 393.365 4.108 20 0 GIADLO CC(C)Oc1ccc(Cl)cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000570317814 823025422 /nfs/dbraw/zinc/02/54/22/823025422.db2.gz LCWHGKWOYDFOEF-RHSMWYFYSA-N 1 2 377.872 4.103 20 0 GIADLO CC(C)Oc1ccc(Cl)cc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000570317814 823025423 /nfs/dbraw/zinc/02/54/23/823025423.db2.gz LCWHGKWOYDFOEF-RHSMWYFYSA-N 1 2 377.872 4.103 20 0 GIADLO Cn1cccc1C(=O)C[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000570349261 823027608 /nfs/dbraw/zinc/02/76/08/823027608.db2.gz NSEYVDGNJBXLGK-UHFFFAOYSA-N 1 2 378.316 4.377 20 0 GIADLO Cn1cccc1C(=O)C[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000570349261 823027612 /nfs/dbraw/zinc/02/76/12/823027612.db2.gz NSEYVDGNJBXLGK-UHFFFAOYSA-N 1 2 378.316 4.377 20 0 GIADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175737351 823029481 /nfs/dbraw/zinc/02/94/81/823029481.db2.gz APJCCVCLIUJKCZ-INIZCTEOSA-N 1 2 377.513 4.020 20 0 GIADLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175737351 823029483 /nfs/dbraw/zinc/02/94/83/823029483.db2.gz APJCCVCLIUJKCZ-INIZCTEOSA-N 1 2 377.513 4.020 20 0 GIADLO COc1cc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc(OC)c1O ZINC000570365639 823029661 /nfs/dbraw/zinc/02/96/61/823029661.db2.gz OEQIFJYRJOQRHJ-UHFFFAOYSA-N 1 2 379.460 4.221 20 0 GIADLO CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000187247302 823030087 /nfs/dbraw/zinc/03/00/87/823030087.db2.gz RHGXJZGETMDZBH-RDTXWAMCSA-N 1 2 376.888 4.439 20 0 GIADLO O=C(C[N@@H+]1CCC=C(c2ccccn2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000570388187 823032387 /nfs/dbraw/zinc/03/23/87/823032387.db2.gz SWWLTNPHKGOMBR-XMMPIXPASA-N 1 2 375.516 4.218 20 0 GIADLO O=C(C[N@H+]1CCC=C(c2ccccn2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000570388187 823032391 /nfs/dbraw/zinc/03/23/91/823032391.db2.gz SWWLTNPHKGOMBR-XMMPIXPASA-N 1 2 375.516 4.218 20 0 GIADLO CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000570457820 823040486 /nfs/dbraw/zinc/04/04/86/823040486.db2.gz GCEHQKOWCCYATJ-NRFANRHFSA-N 1 2 386.561 4.374 20 0 GIADLO CCCOCc1ccccc1CNC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000570457820 823040491 /nfs/dbraw/zinc/04/04/91/823040491.db2.gz GCEHQKOWCCYATJ-NRFANRHFSA-N 1 2 386.561 4.374 20 0 GIADLO Cc1ccccc1-n1cc(C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)nn1 ZINC000570480489 823043699 /nfs/dbraw/zinc/04/36/99/823043699.db2.gz SCQGKTXKADDKME-MRXNPFEDSA-N 1 2 380.467 4.354 20 0 GIADLO COc1ccc([C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2)cc1 ZINC000060614635 823548164 /nfs/dbraw/zinc/54/81/64/823548164.db2.gz IOOFXSWYVMHGIA-XMMPIXPASA-N 1 2 397.478 4.459 20 0 GIADLO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177937413 823548446 /nfs/dbraw/zinc/54/84/46/823548446.db2.gz HEULILYWVSEINT-HNNXBMFYSA-N 1 2 391.500 4.327 20 0 GIADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000411163107 823553180 /nfs/dbraw/zinc/55/31/80/823553180.db2.gz NNVSARUPTDXFIB-KRWDZBQOSA-N 1 2 393.462 4.390 20 0 GIADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000411163107 823553182 /nfs/dbraw/zinc/55/31/82/823553182.db2.gz NNVSARUPTDXFIB-KRWDZBQOSA-N 1 2 393.462 4.390 20 0 GIADLO CC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000411201367 823556898 /nfs/dbraw/zinc/55/68/98/823556898.db2.gz RDNGXXSCSVJKPV-AWEZNQCLSA-N 1 2 376.884 4.206 20 0 GIADLO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000411201367 823556903 /nfs/dbraw/zinc/55/69/03/823556903.db2.gz RDNGXXSCSVJKPV-AWEZNQCLSA-N 1 2 376.884 4.206 20 0 GIADLO CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)Cc1ccsc1 ZINC000190261189 823557487 /nfs/dbraw/zinc/55/74/87/823557487.db2.gz DYXYLJKVUMVCMZ-KRWDZBQOSA-N 1 2 382.533 4.156 20 0 GIADLO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000411237226 823559579 /nfs/dbraw/zinc/55/95/79/823559579.db2.gz JPOLWYYFVQKDLU-LJQANCHMSA-N 1 2 385.533 4.357 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](c2ccccc2F)C2CCCC2)c(C)[nH+]1 ZINC000411303056 823563528 /nfs/dbraw/zinc/56/35/28/823563528.db2.gz UITFYLLTNCZEFR-FQEVSTJZSA-N 1 2 383.467 4.132 20 0 GIADLO C[C@@H](C[N@H+](C)Cc1nc2ccsc2c(=O)[nH]1)Oc1ccc(Cl)c(Cl)c1 ZINC000190357403 823565959 /nfs/dbraw/zinc/56/59/59/823565959.db2.gz UGOKEWKMBPIROV-JTQLQIEISA-N 1 2 398.315 4.191 20 0 GIADLO C[C@@H](C[N@@H+](C)Cc1nc2ccsc2c(=O)[nH]1)Oc1ccc(Cl)c(Cl)c1 ZINC000190357403 823565963 /nfs/dbraw/zinc/56/59/63/823565963.db2.gz UGOKEWKMBPIROV-JTQLQIEISA-N 1 2 398.315 4.191 20 0 GIADLO CC(C)n1ccnc1C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124102921 823567861 /nfs/dbraw/zinc/56/78/61/823567861.db2.gz ZVKXJETUKRPCKV-HXUWFJFHSA-N 1 2 377.467 4.484 20 0 GIADLO CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)c(C)c1 ZINC000411394541 823569567 /nfs/dbraw/zinc/56/95/67/823569567.db2.gz BZEDXPACZCHZSK-AWEZNQCLSA-N 1 2 382.489 4.111 20 0 GIADLO Cc1ccc(N2CCCC2)c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000124126596 823570032 /nfs/dbraw/zinc/57/00/32/823570032.db2.gz UOLAIYNWZYEDFZ-UHFFFAOYSA-N 1 2 384.549 4.290 20 0 GIADLO CC(C)Oc1cc(C[N@H+](Cc2ccc(Br)cn2)C2CC2)ccn1 ZINC000411398098 823570242 /nfs/dbraw/zinc/57/02/42/823570242.db2.gz ATIWCIDIAVHLTP-UHFFFAOYSA-N 1 2 376.298 4.191 20 0 GIADLO CC(C)Oc1cc(C[N@@H+](Cc2ccc(Br)cn2)C2CC2)ccn1 ZINC000411398098 823570244 /nfs/dbraw/zinc/57/02/44/823570244.db2.gz ATIWCIDIAVHLTP-UHFFFAOYSA-N 1 2 376.298 4.191 20 0 GIADLO CC(C)C(=O)NC1CC[NH+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000061023713 823573858 /nfs/dbraw/zinc/57/38/58/823573858.db2.gz PHUORSFYJDPZQR-UHFFFAOYSA-N 1 2 387.568 4.109 20 0 GIADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000124182746 823575274 /nfs/dbraw/zinc/57/52/74/823575274.db2.gz ZTTCSCKDSLYFOZ-OKDNKWQNSA-N 1 2 377.410 4.115 20 0 GIADLO O=C(CC1CC[NH+](Cc2csc(-c3cccs3)n2)CC1)N1CCCC1 ZINC000061049282 823575391 /nfs/dbraw/zinc/57/53/91/823575391.db2.gz OTTYQXSJWLNDQC-UHFFFAOYSA-N 1 2 375.563 4.096 20 0 GIADLO Cc1ccncc1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000461099157 823577041 /nfs/dbraw/zinc/57/70/41/823577041.db2.gz LQWARLQLKPDQGE-UHFFFAOYSA-N 1 2 386.858 4.112 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000461106305 823578600 /nfs/dbraw/zinc/57/86/00/823578600.db2.gz GLGQBTDHRPPZMM-CYBMUJFWSA-N 1 2 381.307 4.168 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(Cl)c(C)c3)CCCC2)no1 ZINC000124251947 823581109 /nfs/dbraw/zinc/58/11/09/823581109.db2.gz DVMXETONADHAGP-UHFFFAOYSA-N 1 2 390.915 4.073 20 0 GIADLO C[C@@H]1CCN(C(=O)CCCCc2nc3ccccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000124256283 823581485 /nfs/dbraw/zinc/58/14/85/823581485.db2.gz HKVPRCLTBFAALC-SJLPKXTDSA-N 1 2 382.533 4.315 20 0 GIADLO C[C@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)c1nc(C(C)(C)C)no1 ZINC000411536325 823585981 /nfs/dbraw/zinc/58/59/81/823585981.db2.gz RDIORSBTIBKOKE-JTQLQIEISA-N 1 2 385.295 4.353 20 0 GIADLO CCc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)c3ccccc3)n2)cc1 ZINC000411540125 823586549 /nfs/dbraw/zinc/58/65/49/823586549.db2.gz WNHVVILXENEUPM-HOTGVXAUSA-N 1 2 378.476 4.001 20 0 GIADLO COC(=O)C[C@@](C)([NH2+]Cc1cccc(Br)c1Cl)c1ccccn1 ZINC000411560468 823588134 /nfs/dbraw/zinc/58/81/34/823588134.db2.gz KEPJYBDKADYEIC-QGZVFWFLSA-N 1 2 397.700 4.066 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000411583717 823589416 /nfs/dbraw/zinc/58/94/16/823589416.db2.gz DIMOABYHCGHKMA-UXHICEINSA-N 1 2 379.504 4.036 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(F)cc(Br)cc1F ZINC000124361345 823590166 /nfs/dbraw/zinc/59/01/66/823590166.db2.gz KGXQXZKPLFKQPX-UHFFFAOYSA-N 1 2 396.166 4.304 20 0 GIADLO CS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000411757406 823602843 /nfs/dbraw/zinc/60/28/43/823602843.db2.gz MABVQZMEXHHOGY-OXJNMPFZSA-N 1 2 377.937 4.186 20 0 GIADLO CS(=O)(=O)C[C@H]1CCC[N@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000411757406 823602844 /nfs/dbraw/zinc/60/28/44/823602844.db2.gz MABVQZMEXHHOGY-OXJNMPFZSA-N 1 2 377.937 4.186 20 0 GIADLO CC[C@H](Cc1ccccc1)N(C)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000461252099 823604658 /nfs/dbraw/zinc/60/46/58/823604658.db2.gz VNBJDIYFGRJKBB-HXUWFJFHSA-N 1 2 381.545 4.356 20 0 GIADLO C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000190762107 823605891 /nfs/dbraw/zinc/60/58/91/823605891.db2.gz JNBJHJYKPXXUIG-MRXNPFEDSA-N 1 2 377.492 4.136 20 0 GIADLO O=S1(=O)CC[C@]2(C1)CCC[N@@H+]([C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000411799042 823605935 /nfs/dbraw/zinc/60/59/35/823605935.db2.gz YDCBPXUVPYBUJX-NHCUHLMSSA-N 1 2 389.948 4.330 20 0 GIADLO O=S1(=O)CC[C@]2(C1)CCC[N@H+]([C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000411799042 823605937 /nfs/dbraw/zinc/60/59/37/823605937.db2.gz YDCBPXUVPYBUJX-NHCUHLMSSA-N 1 2 389.948 4.330 20 0 GIADLO C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)c1nc2c(s1)CCC2 ZINC000411812837 823607373 /nfs/dbraw/zinc/60/73/73/823607373.db2.gz AEVUSKGSNQWWCW-JTQLQIEISA-N 1 2 398.513 4.453 20 0 GIADLO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000461266870 823609025 /nfs/dbraw/zinc/60/90/25/823609025.db2.gz XZLJZESABGGUPI-CRAIPNDOSA-N 1 2 393.453 4.238 20 0 GIADLO CC(C)([NH2+]Cc1ccc(-c2ccncc2)cc1F)c1cn(-c2ccccc2)nn1 ZINC000124635009 823612938 /nfs/dbraw/zinc/61/29/38/823612938.db2.gz XDRSFLWIKKKYDX-UHFFFAOYSA-N 1 2 387.462 4.493 20 0 GIADLO CCn1c(=S)n(C[N@H+](C)CC2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000124638132 823613298 /nfs/dbraw/zinc/61/32/98/823613298.db2.gz RYCQQWKPTNYTLQ-UHFFFAOYSA-N 1 2 380.945 4.070 20 0 GIADLO CCn1c(=S)n(C[N@@H+](C)CC2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000124638132 823613300 /nfs/dbraw/zinc/61/33/00/823613300.db2.gz RYCQQWKPTNYTLQ-UHFFFAOYSA-N 1 2 380.945 4.070 20 0 GIADLO Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cs2)cc1 ZINC000411934161 823615038 /nfs/dbraw/zinc/61/50/38/823615038.db2.gz HHFBYEUGUOOTDP-PZJWPPBQSA-N 1 2 380.513 4.338 20 0 GIADLO Cc1ccc(OCc2nc(C[N@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cs2)cc1 ZINC000411934161 823615040 /nfs/dbraw/zinc/61/50/40/823615040.db2.gz HHFBYEUGUOOTDP-PZJWPPBQSA-N 1 2 380.513 4.338 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)s1 ZINC000411994398 823618932 /nfs/dbraw/zinc/61/89/32/823618932.db2.gz ZICIMARGMPMESA-QGZVFWFLSA-N 1 2 382.407 4.080 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)s1 ZINC000411994398 823618933 /nfs/dbraw/zinc/61/89/33/823618933.db2.gz ZICIMARGMPMESA-QGZVFWFLSA-N 1 2 382.407 4.080 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411994674 823619104 /nfs/dbraw/zinc/61/91/04/823619104.db2.gz AVGDQPMLCFXQIG-YWZLYKJASA-N 1 2 386.442 4.146 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411994674 823619106 /nfs/dbraw/zinc/61/91/06/823619106.db2.gz AVGDQPMLCFXQIG-YWZLYKJASA-N 1 2 386.442 4.146 20 0 GIADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412003369 823620826 /nfs/dbraw/zinc/62/08/26/823620826.db2.gz XEVNCZSBQHDFTJ-MGPUTAFESA-N 1 2 386.442 4.146 20 0 GIADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412003369 823620828 /nfs/dbraw/zinc/62/08/28/823620828.db2.gz XEVNCZSBQHDFTJ-MGPUTAFESA-N 1 2 386.442 4.146 20 0 GIADLO OCC1([C@@H]([NH2+]Cc2nc(Cc3ccccc3)no2)c2ccccc2)CCCCC1 ZINC000412005930 823621344 /nfs/dbraw/zinc/62/13/44/823621344.db2.gz GYIVSOPZDOUEAR-QHCPKHFHSA-N 1 2 391.515 4.434 20 0 GIADLO Fc1ccccc1-n1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)n1 ZINC000412016435 823623018 /nfs/dbraw/zinc/62/30/18/823623018.db2.gz VUMLMOXHALERDE-QFIPXVFZSA-N 1 2 377.463 4.365 20 0 GIADLO Fc1ccccc1-n1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)n1 ZINC000412016435 823623022 /nfs/dbraw/zinc/62/30/22/823623022.db2.gz VUMLMOXHALERDE-QFIPXVFZSA-N 1 2 377.463 4.365 20 0 GIADLO CC(C)(CC(F)F)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000412100489 823626619 /nfs/dbraw/zinc/62/66/19/823626619.db2.gz SBRASAURXKZGIR-AWEZNQCLSA-N 1 2 376.850 4.241 20 0 GIADLO CC(C)(CC(F)F)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000412100489 823626620 /nfs/dbraw/zinc/62/66/20/823626620.db2.gz SBRASAURXKZGIR-AWEZNQCLSA-N 1 2 376.850 4.241 20 0 GIADLO Cc1[nH+]cc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)n1-c1ccccc1 ZINC000124808543 823627710 /nfs/dbraw/zinc/62/77/10/823627710.db2.gz HIBGWPOZGXJNPD-HDICACEKSA-N 1 2 376.504 4.406 20 0 GIADLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000124870430 823632650 /nfs/dbraw/zinc/63/26/50/823632650.db2.gz WLTCTVZFPMKGHL-LSDHHAIUSA-N 1 2 378.480 4.008 20 0 GIADLO COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)ccc1Br)c1ccncc1 ZINC000190974437 823633138 /nfs/dbraw/zinc/63/31/38/823633138.db2.gz XACHTCWJVAWNJO-KRWDZBQOSA-N 1 2 397.700 4.066 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)NC(c2cccs2)c2cccs2)c1C ZINC000124985229 823642816 /nfs/dbraw/zinc/64/28/16/823642816.db2.gz GEFOQGIBGZOFMV-UHFFFAOYSA-N 1 2 387.530 4.419 20 0 GIADLO Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000191126261 823651952 /nfs/dbraw/zinc/65/19/52/823651952.db2.gz JNZKHGZODLMCOV-INIZCTEOSA-N 1 2 384.432 4.291 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC(c3cccc(C(F)(F)F)c3)C1)C2 ZINC000412404712 823653837 /nfs/dbraw/zinc/65/38/37/823653837.db2.gz UAUBDPHAGMZOAE-CQSZACIVSA-N 1 2 391.437 4.283 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC(c3cccc(C(F)(F)F)c3)C1)CC2 ZINC000412404712 823653840 /nfs/dbraw/zinc/65/38/40/823653840.db2.gz UAUBDPHAGMZOAE-CQSZACIVSA-N 1 2 391.437 4.283 20 0 GIADLO Fc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000063176266 823654132 /nfs/dbraw/zinc/65/41/32/823654132.db2.gz ABCTWDPVIRCYFL-UHFFFAOYSA-N 1 2 378.835 4.291 20 0 GIADLO CS(=O)(=O)c1ccc(OCCC[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000063285657 823659848 /nfs/dbraw/zinc/65/98/48/823659848.db2.gz CZBKAIXCUFFLBD-UHFFFAOYSA-N 1 2 399.512 4.154 20 0 GIADLO CS(=O)(=O)c1ccc(OCCC[N@@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000063285657 823659850 /nfs/dbraw/zinc/65/98/50/823659850.db2.gz CZBKAIXCUFFLBD-UHFFFAOYSA-N 1 2 399.512 4.154 20 0 GIADLO Cc1ccc(SCC(F)(F)F)c(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000125233960 823660807 /nfs/dbraw/zinc/66/08/07/823660807.db2.gz ZJZNTXLPEOIVON-UHFFFAOYSA-N 1 2 386.443 4.400 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000125276401 823664176 /nfs/dbraw/zinc/66/41/76/823664176.db2.gz MOEQBHNWUKJEDB-XMSQKQJNSA-N 1 2 375.472 4.185 20 0 GIADLO CCC(=O)c1ccc(OCCCCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000125322295 823667689 /nfs/dbraw/zinc/66/76/89/823667689.db2.gz JSBANOGKMLEESY-NQIIRXRSSA-N 1 2 397.519 4.135 20 0 GIADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191306681 823669541 /nfs/dbraw/zinc/66/95/41/823669541.db2.gz KRHRLYQRNWBDCR-JTQLQIEISA-N 1 2 392.397 4.108 20 0 GIADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191306681 823669548 /nfs/dbraw/zinc/66/95/48/823669548.db2.gz KRHRLYQRNWBDCR-JTQLQIEISA-N 1 2 392.397 4.108 20 0 GIADLO CC(C)c1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2cnn(C(C)C)c2n1 ZINC000125418855 823674727 /nfs/dbraw/zinc/67/47/27/823674727.db2.gz HNZIMSSEQYSIPZ-JXFKEZNVSA-N 1 2 394.523 4.055 20 0 GIADLO CCC(CC)n1ncc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000125454158 823677539 /nfs/dbraw/zinc/67/75/39/823677539.db2.gz HBFKKEQFOOKIQH-UHFFFAOYSA-N 1 2 397.567 4.326 20 0 GIADLO Cc1noc(C)c1C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000063550158 823678951 /nfs/dbraw/zinc/67/89/51/823678951.db2.gz DRJDAKGBYCJSIU-UHFFFAOYSA-N 1 2 379.291 4.441 20 0 GIADLO COCCCn1c(C)cc(C(=O)C[NH+]2CCC(OC3CCCCC3)CC2)c1C ZINC000125541924 823683840 /nfs/dbraw/zinc/68/38/40/823683840.db2.gz FCLIYOCDLBECBH-UHFFFAOYSA-N 1 2 390.568 4.138 20 0 GIADLO Cc1ccc(CCCCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000063637149 823685647 /nfs/dbraw/zinc/68/56/47/823685647.db2.gz RLZINFAVLALVJF-UHFFFAOYSA-N 1 2 394.563 4.278 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCOc2ccc(SC)cc2)n1 ZINC000191455798 823687196 /nfs/dbraw/zinc/68/71/96/823687196.db2.gz MJURQXDKCBTLCZ-KRWDZBQOSA-N 1 2 392.546 4.258 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCOc2ccc(SC)cc2)n1 ZINC000191455798 823687199 /nfs/dbraw/zinc/68/71/99/823687199.db2.gz MJURQXDKCBTLCZ-KRWDZBQOSA-N 1 2 392.546 4.258 20 0 GIADLO Cc1nc(-c2cccs2)ccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125582707 823687353 /nfs/dbraw/zinc/68/73/53/823687353.db2.gz ZQOWECBASOHZQJ-UHFFFAOYSA-N 1 2 388.496 4.293 20 0 GIADLO COc1ccc2c(c1)oc(C(=O)NCCNc1cccc[nH+]1)c2-c1ccccc1 ZINC000063703912 823690072 /nfs/dbraw/zinc/69/00/72/823690072.db2.gz KSXWGDHXXUWKIX-UHFFFAOYSA-N 1 2 387.439 4.345 20 0 GIADLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000125616858 823690418 /nfs/dbraw/zinc/69/04/18/823690418.db2.gz UZMXNFVVTNGYPW-INIZCTEOSA-N 1 2 377.872 4.014 20 0 GIADLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000125616858 823690420 /nfs/dbraw/zinc/69/04/20/823690420.db2.gz UZMXNFVVTNGYPW-INIZCTEOSA-N 1 2 377.872 4.014 20 0 GIADLO O=S(=O)(CC[N@H+]1CC=C(c2cccc3ccccc32)CC1)c1ccccc1 ZINC000063762792 823694015 /nfs/dbraw/zinc/69/40/15/823694015.db2.gz HAOACSLJSPODET-UHFFFAOYSA-N 1 2 377.509 4.403 20 0 GIADLO O=S(=O)(CC[N@@H+]1CC=C(c2cccc3ccccc32)CC1)c1ccccc1 ZINC000063762792 823694017 /nfs/dbraw/zinc/69/40/17/823694017.db2.gz HAOACSLJSPODET-UHFFFAOYSA-N 1 2 377.509 4.403 20 0 GIADLO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c21 ZINC000125660736 823694479 /nfs/dbraw/zinc/69/44/79/823694479.db2.gz KBLXMUMXKFRIRE-KDOFPFPSSA-N 1 2 393.491 4.143 20 0 GIADLO C[C@H](c1nnc(SCCc2cncs2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000412981481 823696879 /nfs/dbraw/zinc/69/68/79/823696879.db2.gz HLIXCQCKUJCNLN-GFCCVEGCSA-N 1 2 393.969 4.335 20 0 GIADLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000125694674 823697482 /nfs/dbraw/zinc/69/74/82/823697482.db2.gz UUSSIBPSWZNVTM-UXHICEINSA-N 1 2 383.561 4.011 20 0 GIADLO CCOC1CC(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)C1 ZINC000412988722 823698230 /nfs/dbraw/zinc/69/82/30/823698230.db2.gz YGKUPQYVNRNXJB-JQRITLKVSA-N 1 2 380.945 4.203 20 0 GIADLO CC(C)(CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(Cl)c1 ZINC000063808649 823698636 /nfs/dbraw/zinc/69/86/36/823698636.db2.gz NZJQWOBJGZQBRZ-UHFFFAOYSA-N 1 2 396.922 4.362 20 0 GIADLO Cn1cc(CCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c2ccccc21 ZINC000125709313 823698833 /nfs/dbraw/zinc/69/88/33/823698833.db2.gz REMDVELBSRSBGI-UHFFFAOYSA-N 1 2 388.471 4.025 20 0 GIADLO C[C@@H]1CCN(C(=O)COC(c2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000125724838 823700683 /nfs/dbraw/zinc/70/06/83/823700683.db2.gz IEFFJWWEWBSONL-DENIHFKCSA-N 1 2 389.499 4.099 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3c[nH]nc3-c3ccc(C)cc3)n2)c1 ZINC000191566361 823700818 /nfs/dbraw/zinc/70/08/18/823700818.db2.gz YGVDXJYMMHTMBO-OAHLLOKOSA-N 1 2 389.459 4.295 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3c[nH]nc3-c3ccc(C)cc3)n2)c1 ZINC000191566346 823700877 /nfs/dbraw/zinc/70/08/77/823700877.db2.gz YGVDXJYMMHTMBO-HNNXBMFYSA-N 1 2 389.459 4.295 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125729186 823701047 /nfs/dbraw/zinc/70/10/47/823701047.db2.gz CWRLEEITNCSYEY-INIZCTEOSA-N 1 2 388.458 4.016 20 0 GIADLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000125750567 823703918 /nfs/dbraw/zinc/70/39/18/823703918.db2.gz PDZQTEABWLSQJC-UHFFFAOYSA-N 1 2 376.838 4.448 20 0 GIADLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000125750567 823703922 /nfs/dbraw/zinc/70/39/22/823703922.db2.gz PDZQTEABWLSQJC-UHFFFAOYSA-N 1 2 376.838 4.448 20 0 GIADLO CCOc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc(Cl)c1O ZINC000574332247 823704093 /nfs/dbraw/zinc/70/40/93/823704093.db2.gz TWGLDALMSVRKEE-MRXNPFEDSA-N 1 2 397.302 4.130 20 0 GIADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000574338304 823704763 /nfs/dbraw/zinc/70/47/63/823704763.db2.gz RXEALPKRJKEYOO-ZANVPECISA-N 1 2 379.304 4.027 20 0 GIADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000574338304 823704766 /nfs/dbraw/zinc/70/47/66/823704766.db2.gz RXEALPKRJKEYOO-ZANVPECISA-N 1 2 379.304 4.027 20 0 GIADLO CCN(CC)C(=O)C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413091434 823705409 /nfs/dbraw/zinc/70/54/09/823705409.db2.gz IHFIKUKUNIEHKG-UHFFFAOYSA-N 1 2 390.325 4.082 20 0 GIADLO C[C@@H]([NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)c1nc(Cc2ccccc2)no1 ZINC000191592968 823706044 /nfs/dbraw/zinc/70/60/44/823706044.db2.gz UIYDKLWFKAPBDF-CYBMUJFWSA-N 1 2 395.413 4.180 20 0 GIADLO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191594521 823706371 /nfs/dbraw/zinc/70/63/71/823706371.db2.gz YSMPKQWJSXRCLU-GJZGRUSLSA-N 1 2 398.894 4.382 20 0 GIADLO CCCCNC(=O)C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413105044 823707892 /nfs/dbraw/zinc/70/78/92/823707892.db2.gz XTZRLIFGCIRZBY-UHFFFAOYSA-N 1 2 390.325 4.130 20 0 GIADLO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000574360916 823708299 /nfs/dbraw/zinc/70/82/99/823708299.db2.gz FKNBCJQDUGWQDU-MGNBDDOMSA-N 1 2 379.357 4.343 20 0 GIADLO C[C@H]1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000125795235 823712392 /nfs/dbraw/zinc/71/23/92/823712392.db2.gz VFBZEFPNQUUBCO-AAEUAGOBSA-N 1 2 392.937 4.445 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N2CCC(c3nncn3C3CC3)CC2)c1 ZINC000413137916 823713658 /nfs/dbraw/zinc/71/36/58/823713658.db2.gz CJQKOTMKBBPBFX-UHFFFAOYSA-N 1 2 398.308 4.308 20 0 GIADLO COc1ccccc1-c1ccc([C@H](C)Nc2cc(NC[C@H](C)O)[nH+]cn2)cc1 ZINC000413174142 823720977 /nfs/dbraw/zinc/72/09/77/823720977.db2.gz PUSSPXQNWFISKE-HOTGVXAUSA-N 1 2 378.476 4.118 20 0 GIADLO COc1ccccc1-c1ccc([C@H](C)Nc2cc(NC[C@H](C)O)nc[nH+]2)cc1 ZINC000413174142 823720983 /nfs/dbraw/zinc/72/09/83/823720983.db2.gz PUSSPXQNWFISKE-HOTGVXAUSA-N 1 2 378.476 4.118 20 0 GIADLO CCO[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000413176037 823721532 /nfs/dbraw/zinc/72/15/32/823721532.db2.gz KIPZMVCPXPABCP-SPEDKVCISA-N 1 2 382.504 4.012 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C[C@H](C)O1 ZINC000413183889 823723462 /nfs/dbraw/zinc/72/34/62/823723462.db2.gz WFQWMYMDBKUJEJ-NIMADECDSA-N 1 2 378.516 4.428 20 0 GIADLO COc1c(C)c[nH+]c(CN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1C ZINC000125874624 823734487 /nfs/dbraw/zinc/73/44/87/823734487.db2.gz XYQIUOYGXDMGPD-OAQYLSRUSA-N 1 2 375.472 4.177 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000413262996 823741199 /nfs/dbraw/zinc/74/11/99/823741199.db2.gz MHRHESRUBLQXLB-QGZVFWFLSA-N 1 2 384.277 4.188 20 0 GIADLO O[C@]1(C(F)(F)F)CCCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413275681 823743859 /nfs/dbraw/zinc/74/38/59/823743859.db2.gz BIGFRPFMIUNMGD-OAHLLOKOSA-N 1 2 389.215 4.281 20 0 GIADLO CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000064140801 823753982 /nfs/dbraw/zinc/75/39/82/823753982.db2.gz GJKZTUCFLJQNNA-UHFFFAOYSA-N 1 2 384.495 4.095 20 0 GIADLO C[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000574550471 823762298 /nfs/dbraw/zinc/76/22/98/823762298.db2.gz WFEOBFGBIROWQK-AVRDEDQJSA-N 1 2 380.536 4.409 20 0 GIADLO C[C@@H](NC(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1)c1ccccc1 ZINC000126025000 823768921 /nfs/dbraw/zinc/76/89/21/823768921.db2.gz QKHIRSOVPDFPJX-KOSHJBKYSA-N 1 2 398.510 4.130 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cnn1-c1ccc(F)cc1 ZINC000164042834 823773346 /nfs/dbraw/zinc/77/33/46/823773346.db2.gz MSNAOIQPHUQPFD-JKSUJKDBSA-N 1 2 390.466 4.312 20 0 GIADLO COc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)cc1C(C)C ZINC000574590203 823773999 /nfs/dbraw/zinc/77/39/99/823773999.db2.gz DLXWJNPQJKCPLH-UHFFFAOYSA-N 1 2 387.505 4.123 20 0 GIADLO Cn1c2ccccc2nc1-c1cccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000461969237 823776833 /nfs/dbraw/zinc/77/68/33/823776833.db2.gz JFRFNGOELRJAQQ-HSZRJFAPSA-N 1 2 396.494 4.453 20 0 GIADLO Cn1c2ccccc2nc1-c1cccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000461969237 823776839 /nfs/dbraw/zinc/77/68/39/823776839.db2.gz JFRFNGOELRJAQQ-HSZRJFAPSA-N 1 2 396.494 4.453 20 0 GIADLO COCC[N@H+](Cc1sccc1Br)Cc1ccc(NC(C)=O)cc1 ZINC000191823138 823783700 /nfs/dbraw/zinc/78/37/00/823783700.db2.gz JTIXBFOTSNZHBS-UHFFFAOYSA-N 1 2 397.338 4.118 20 0 GIADLO COCC[N@@H+](Cc1sccc1Br)Cc1ccc(NC(C)=O)cc1 ZINC000191823138 823783712 /nfs/dbraw/zinc/78/37/12/823783712.db2.gz JTIXBFOTSNZHBS-UHFFFAOYSA-N 1 2 397.338 4.118 20 0 GIADLO COCCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[C@@H]1C ZINC000574642201 823788125 /nfs/dbraw/zinc/78/81/25/823788125.db2.gz JOBQHDXESXKROM-UWJYYQICSA-N 1 2 394.519 4.271 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCCN2Cc2c[nH+]c(C)n2-c2ccccc2)n1 ZINC000191829916 823788247 /nfs/dbraw/zinc/78/82/47/823788247.db2.gz BHCWVKGJKUYVIZ-LJQANCHMSA-N 1 2 396.516 4.151 20 0 GIADLO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000191830985 823789384 /nfs/dbraw/zinc/78/93/84/823789384.db2.gz KLTZVSCPKDZYQM-KRWDZBQOSA-N 1 2 399.502 4.020 20 0 GIADLO CC(=O)Oc1ccc(C[NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)cc1 ZINC000126111985 823790843 /nfs/dbraw/zinc/79/08/43/823790843.db2.gz PJCJLNWTHCIMLI-QHCPKHFHSA-N 1 2 385.467 4.378 20 0 GIADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cn(C3CCCC3)nc2-c2ccccn2)n1 ZINC000574656853 823792844 /nfs/dbraw/zinc/79/28/44/823792844.db2.gz MVUXPLIMLBPBAK-IBGZPJMESA-N 1 2 378.480 4.089 20 0 GIADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cn(C3CCCC3)nc2-c2ccccn2)n1 ZINC000574656853 823792852 /nfs/dbraw/zinc/79/28/52/823792852.db2.gz MVUXPLIMLBPBAK-IBGZPJMESA-N 1 2 378.480 4.089 20 0 GIADLO Cc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1Br ZINC000574671306 823796350 /nfs/dbraw/zinc/79/63/50/823796350.db2.gz YJAPACMIAPNFKT-JTQLQIEISA-N 1 2 385.103 4.161 20 0 GIADLO COC(=O)[C@H]1CC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C[C@H]1C ZINC000191857215 823797288 /nfs/dbraw/zinc/79/72/88/823797288.db2.gz IZTBLYDAUXKBPV-DYVFJYSZSA-N 1 2 378.925 4.018 20 0 GIADLO COC(=O)[C@H]1CC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C[C@H]1C ZINC000191857215 823797296 /nfs/dbraw/zinc/79/72/96/823797296.db2.gz IZTBLYDAUXKBPV-DYVFJYSZSA-N 1 2 378.925 4.018 20 0 GIADLO Cc1cc(C)c(NC(=O)c2nc(Br)ccc2Br)c(C)[nH+]1 ZINC000191864005 823798651 /nfs/dbraw/zinc/79/86/51/823798651.db2.gz WMCHAKNWRFWFPY-UHFFFAOYSA-N 1 2 399.086 4.179 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccccc2SCc2cscn2)C[C@@H]1n1cc[nH+]c1 ZINC000126144962 823799373 /nfs/dbraw/zinc/79/93/73/823799373.db2.gz SZKSXMNKOWEFJK-QAPCUYQASA-N 1 2 398.557 4.355 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)c(OC)c1 ZINC000164439091 823802618 /nfs/dbraw/zinc/80/26/18/823802618.db2.gz VVMRWCTZCIEPOL-NSHDSACASA-N 1 2 385.382 4.304 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(Br)c1C ZINC000191883966 823803023 /nfs/dbraw/zinc/80/30/23/823803023.db2.gz VAZRZFKTLZIGNE-UHFFFAOYSA-N 1 2 393.329 4.461 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1 ZINC000191908414 823809569 /nfs/dbraw/zinc/80/95/69/823809569.db2.gz DBFSZVCRWGXSQP-UHFFFAOYSA-N 1 2 396.495 4.002 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000164601896 823811659 /nfs/dbraw/zinc/81/16/59/823811659.db2.gz FNJOPCBAFKSXKP-NHCUHLMSSA-N 1 2 379.504 4.076 20 0 GIADLO COc1cccc(C[N@@H+](CC(=O)N(c2ccccc2)C(C)C)C[C@@H]2CCCO2)c1 ZINC000064400550 823812304 /nfs/dbraw/zinc/81/23/04/823812304.db2.gz BHBFTNPCBNXPRF-QHCPKHFHSA-N 1 2 396.531 4.118 20 0 GIADLO COc1cccc(C[N@H+](CC(=O)N(c2ccccc2)C(C)C)C[C@@H]2CCCO2)c1 ZINC000064400550 823812308 /nfs/dbraw/zinc/81/23/08/823812308.db2.gz BHBFTNPCBNXPRF-QHCPKHFHSA-N 1 2 396.531 4.118 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000191932780 823814877 /nfs/dbraw/zinc/81/48/77/823814877.db2.gz VFBAIYPGXAJAHA-UHFFFAOYSA-N 1 2 397.548 4.437 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)/C=C/c3ccnc(Cl)c3)n2)C1 ZINC000126280372 823827900 /nfs/dbraw/zinc/82/79/00/823827900.db2.gz ZLAGVFPTGLMGJO-IHVVCDCBSA-N 1 2 376.913 4.075 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)/C=C/c3ccnc(Cl)c3)n2)C1 ZINC000126280372 823827908 /nfs/dbraw/zinc/82/79/08/823827908.db2.gz ZLAGVFPTGLMGJO-IHVVCDCBSA-N 1 2 376.913 4.075 20 0 GIADLO Cc1ccc(C)c(NC(=O)C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000165113667 823834511 /nfs/dbraw/zinc/83/45/11/823834511.db2.gz AQWOFBLWUDTIBX-QHCPKHFHSA-N 1 2 387.483 4.212 20 0 GIADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2-c2ccnn2C)o1 ZINC000574829479 823836275 /nfs/dbraw/zinc/83/62/75/823836275.db2.gz BMQCIKVNDIQYHW-QFIPXVFZSA-N 1 2 385.471 4.078 20 0 GIADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2-c2ccnn2C)o1 ZINC000574829479 823836277 /nfs/dbraw/zinc/83/62/77/823836277.db2.gz BMQCIKVNDIQYHW-QFIPXVFZSA-N 1 2 385.471 4.078 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccn(-c3cccc(F)c3)n2)c(OC)c1 ZINC000064555677 823843279 /nfs/dbraw/zinc/84/32/79/823843279.db2.gz BAEKNMFAXCZRDG-OAQYLSRUSA-N 1 2 381.451 4.366 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2Cc2ccn(-c3cccc(F)c3)n2)c(OC)c1 ZINC000064555677 823843284 /nfs/dbraw/zinc/84/32/84/823843284.db2.gz BAEKNMFAXCZRDG-OAQYLSRUSA-N 1 2 381.451 4.366 20 0 GIADLO Cc1cccc(CCCOCCOC(=O)c2cccc(Br)c2F)[nH+]1 ZINC000192051700 823845011 /nfs/dbraw/zinc/84/50/11/823845011.db2.gz OHDUKJMPCNJSOV-UHFFFAOYSA-N 1 2 396.256 4.098 20 0 GIADLO CC(=O)c1cc(C[NH+]2CCC(F)(c3ccccc3OC(F)(F)F)CC2)on1 ZINC000574888157 823852085 /nfs/dbraw/zinc/85/20/85/823852085.db2.gz PATSZKNECWSBSU-UHFFFAOYSA-N 1 2 386.345 4.237 20 0 GIADLO CCc1nc(CCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cs1 ZINC000574894042 823854244 /nfs/dbraw/zinc/85/42/44/823854244.db2.gz NRQQDDGYZNQNFL-UHFFFAOYSA-N 1 2 395.532 4.270 20 0 GIADLO CC[C@@H](C)NC(=O)C[NH2+][C@@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000462176834 823855350 /nfs/dbraw/zinc/85/53/50/823855350.db2.gz PGMPHLGBHYCDJS-XCLFUZPHSA-N 1 2 378.488 4.280 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C[C@@H](C)O)C(C)C)cs1)c1cccc(C)c1C ZINC000165731506 823861272 /nfs/dbraw/zinc/86/12/72/823861272.db2.gz CANOVPUDVQQQSO-OAHLLOKOSA-N 1 2 375.538 4.036 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C[C@@H](C)O)C(C)C)cs1)c1cccc(C)c1C ZINC000165731506 823861277 /nfs/dbraw/zinc/86/12/77/823861277.db2.gz CANOVPUDVQQQSO-OAHLLOKOSA-N 1 2 375.538 4.036 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000126425202 823863515 /nfs/dbraw/zinc/86/35/15/823863515.db2.gz PIGIQPAVZCTYOR-MOPGFXCFSA-N 1 2 383.561 4.320 20 0 GIADLO CC(C)CCOc1cccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000165842062 823864221 /nfs/dbraw/zinc/86/42/21/823864221.db2.gz FHIIJIOFTJOAJB-SFHVURJKSA-N 1 2 384.524 4.332 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000574934483 823864301 /nfs/dbraw/zinc/86/43/01/823864301.db2.gz SAODTIYQSNBUIM-QGZVFWFLSA-N 1 2 396.413 4.012 20 0 GIADLO CC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000165893911 823865238 /nfs/dbraw/zinc/86/52/38/823865238.db2.gz NBBYWDFLNXVNJK-RTBURBONSA-N 1 2 389.858 4.249 20 0 GIADLO CC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000165893911 823865241 /nfs/dbraw/zinc/86/52/41/823865241.db2.gz NBBYWDFLNXVNJK-RTBURBONSA-N 1 2 389.858 4.249 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000462198297 823865662 /nfs/dbraw/zinc/86/56/62/823865662.db2.gz YLDHBKKUTMDELB-UONOGXRCSA-N 1 2 379.476 4.176 20 0 GIADLO Cc1ccc(C[C@@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)s1 ZINC000462204955 823869799 /nfs/dbraw/zinc/86/97/99/823869799.db2.gz BRCGKSNXMWYWRS-GDBMZVCRSA-N 1 2 377.579 4.137 20 0 GIADLO C[C@@H]1C[C@]2(CCO1)C[N@@H+]([C@@H](C(=O)Nc1ccccc1)c1ccccc1)C[C@@H](C)O2 ZINC000574953431 823869978 /nfs/dbraw/zinc/86/99/78/823869978.db2.gz QYPLMHBSSDHAHL-JDCWHPJTSA-N 1 2 394.515 4.025 20 0 GIADLO C[C@@H]1C[C@]2(CCO1)C[N@H+]([C@@H](C(=O)Nc1ccccc1)c1ccccc1)C[C@@H](C)O2 ZINC000574953431 823869982 /nfs/dbraw/zinc/86/99/82/823869982.db2.gz QYPLMHBSSDHAHL-JDCWHPJTSA-N 1 2 394.515 4.025 20 0 GIADLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1cccc(F)c1F ZINC000462207405 823871566 /nfs/dbraw/zinc/87/15/66/823871566.db2.gz GNPYZACWMAJZMQ-KBPBESRZSA-N 1 2 379.476 4.176 20 0 GIADLO COc1ccc(F)c(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000126458962 823873150 /nfs/dbraw/zinc/87/31/50/823873150.db2.gz HDPRKFGYNXAHLD-WOJBJXKFSA-N 1 2 380.423 4.081 20 0 GIADLO C/C(=C\c1ccccc1OC(F)F)CNc1cc(CSCCO)cc[nH+]1 ZINC000574964194 823874337 /nfs/dbraw/zinc/87/43/37/823874337.db2.gz AZWHRJBCQFADJR-GXDHUFHOSA-N 1 2 380.460 4.424 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cs1)c1ccc(C)cc1C ZINC000166375432 823876745 /nfs/dbraw/zinc/87/67/45/823876745.db2.gz REGWHEHFRDUKMJ-OAQYLSRUSA-N 1 2 385.533 4.057 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@]3(CCOC3)C2)cs1)c1ccc(C)cc1C ZINC000166375432 823876757 /nfs/dbraw/zinc/87/67/57/823876757.db2.gz REGWHEHFRDUKMJ-OAQYLSRUSA-N 1 2 385.533 4.057 20 0 GIADLO COc1cccc([C@H]([NH2+]CC(=O)NC2CCCCC2)c2ccccc2Cl)c1 ZINC000462240095 823890934 /nfs/dbraw/zinc/89/09/34/823890934.db2.gz USDYPLXUARROQI-QFIPXVFZSA-N 1 2 386.923 4.477 20 0 GIADLO COc1cccc([C@H]([NH2+]CC(=O)NC(C2CC2)C2CC2)c2ccccc2Cl)c1 ZINC000462241193 823891798 /nfs/dbraw/zinc/89/17/98/823891798.db2.gz ZBMREIHISROWKU-QHCPKHFHSA-N 1 2 398.934 4.332 20 0 GIADLO CCn1c2cc(Br)ccc2[nH+]c1NCc1ccccc1NC(C)=O ZINC000167833396 823896422 /nfs/dbraw/zinc/89/64/22/823896422.db2.gz NCKZZPDTALVXSK-UHFFFAOYSA-N 1 2 387.281 4.389 20 0 GIADLO COc1cc(C[N@H+](C)CCCS(=O)(=O)c2cccc(C)c2)ccc1SC ZINC000167838264 823896477 /nfs/dbraw/zinc/89/64/77/823896477.db2.gz ASMWIUSIPRGRAL-UHFFFAOYSA-N 1 2 393.574 4.021 20 0 GIADLO COc1cc(C[N@@H+](C)CCCS(=O)(=O)c2cccc(C)c2)ccc1SC ZINC000167838264 823896483 /nfs/dbraw/zinc/89/64/83/823896483.db2.gz ASMWIUSIPRGRAL-UHFFFAOYSA-N 1 2 393.574 4.021 20 0 GIADLO COc1cc(OC)c([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1Cl ZINC000168021708 823899772 /nfs/dbraw/zinc/89/97/72/823899772.db2.gz DAPWTKRZHUIBHY-WFASDCNBSA-N 1 2 378.904 4.258 20 0 GIADLO COCCSc1ccc([C@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414065609 823899854 /nfs/dbraw/zinc/89/98/54/823899854.db2.gz GCIVOUFWAFVYNR-QWHCGFSZSA-N 1 2 380.535 4.080 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)s1 ZINC000414070043 823900901 /nfs/dbraw/zinc/90/09/01/823900901.db2.gz RYALVEQPVDPIJU-STQMWFEESA-N 1 2 378.494 4.137 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)CC1 ZINC000462257305 823901402 /nfs/dbraw/zinc/90/14/02/823901402.db2.gz VJFDZGOZMXNNQA-AWEZNQCLSA-N 1 2 399.545 4.177 20 0 GIADLO C[C@@H]([NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc2n(n1)CCC2 ZINC000414071871 823901773 /nfs/dbraw/zinc/90/17/73/823901773.db2.gz KYGZZCULZQAWRQ-OPAMFIHVSA-N 1 2 389.478 4.410 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000462260812 823903008 /nfs/dbraw/zinc/90/30/08/823903008.db2.gz WPPCFSFQNQHPIG-JTQLQIEISA-N 1 2 390.456 4.134 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCc3cc(Br)ccc32)s1 ZINC000414077610 823903306 /nfs/dbraw/zinc/90/33/06/823903306.db2.gz QCLUYGISKXCZJD-TVQRCGJNSA-N 1 2 381.295 4.030 20 0 GIADLO O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000575067886 823903642 /nfs/dbraw/zinc/90/36/42/823903642.db2.gz IRTIDCONPZXVAS-OAHLLOKOSA-N 1 2 376.391 4.416 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(OCC2CCCCC2)cc1 ZINC000064884800 823906141 /nfs/dbraw/zinc/90/61/41/823906141.db2.gz MTJCWNXYQBZHTO-UHFFFAOYSA-N 1 2 393.531 4.440 20 0 GIADLO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2csc(-c3ccccc3)n2)C1=O ZINC000414087734 823906481 /nfs/dbraw/zinc/90/64/81/823906481.db2.gz IPEAJYXURKXCTM-WBVHZDCISA-N 1 2 393.512 4.275 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)s1 ZINC000414094547 823907932 /nfs/dbraw/zinc/90/79/32/823907932.db2.gz GIKMHNPCRCWAKJ-YUMQZZPRSA-N 1 2 375.313 4.166 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]C2(c3cccc(Br)c3)CCC2)s1 ZINC000414097006 823908606 /nfs/dbraw/zinc/90/86/06/823908606.db2.gz MRGSMQCLHNPYJK-LLVKDONJSA-N 1 2 395.322 4.422 20 0 GIADLO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)cc1 ZINC000414100628 823909829 /nfs/dbraw/zinc/90/98/29/823909829.db2.gz RZLBMZRMHXOJCV-OAHLLOKOSA-N 1 2 386.542 4.455 20 0 GIADLO Cc1ccccc1-n1nccc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462280342 823911145 /nfs/dbraw/zinc/91/11/45/823911145.db2.gz WGODPUWBIMXBGK-KRWDZBQOSA-N 1 2 395.532 4.153 20 0 GIADLO Cc1c(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cnn1CCC(C)C ZINC000462292812 823914266 /nfs/dbraw/zinc/91/42/66/823914266.db2.gz XRKIQLHTLXIJJF-MRXNPFEDSA-N 1 2 389.569 4.210 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)COc1cc(Cl)ccc1Cl ZINC000192247133 823915233 /nfs/dbraw/zinc/91/52/33/823915233.db2.gz KLSCIMYEXFCIRD-UHFFFAOYSA-N 1 2 384.307 4.070 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2ccc(Cl)s2)CC1 ZINC000462299416 823916011 /nfs/dbraw/zinc/91/60/11/823916011.db2.gz SXOSOGUQTHZTSE-ZDUSSCGKSA-N 1 2 383.970 4.094 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000192259073 823920061 /nfs/dbraw/zinc/92/00/61/823920061.db2.gz GHXSGWCXWNDYFP-UHFFFAOYSA-N 1 2 399.926 4.145 20 0 GIADLO COC[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccc(Cl)c1 ZINC000575168294 823930202 /nfs/dbraw/zinc/93/02/02/823930202.db2.gz HXRCMUDHTMPMSL-ZRGWGRIASA-N 1 2 375.900 4.148 20 0 GIADLO Cc1c([C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cnn1-c1cc(C)ccc1C ZINC000414243340 823938509 /nfs/dbraw/zinc/93/85/09/823938509.db2.gz QXEQLWQUSLWPRW-QGZVFWFLSA-N 1 2 397.544 4.052 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000192314478 823943652 /nfs/dbraw/zinc/94/36/52/823943652.db2.gz XHBBURFPAKAJGK-KRWDZBQOSA-N 1 2 390.528 4.243 20 0 GIADLO FC(F)(F)c1ccnc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)n1 ZINC000414260170 823944291 /nfs/dbraw/zinc/94/42/91/823944291.db2.gz QMZDBZASMSWPBC-INIZCTEOSA-N 1 2 377.410 4.378 20 0 GIADLO Cc1ccc2oc(=O)n(C[NH2+]C(C)(C)c3ccc(Br)cc3)c2c1 ZINC000065188140 823957923 /nfs/dbraw/zinc/95/79/23/823957923.db2.gz WGOLNKKKVDQDOV-UHFFFAOYSA-N 1 2 375.266 4.148 20 0 GIADLO COc1cc(F)c(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1F ZINC000126834484 823962601 /nfs/dbraw/zinc/96/26/01/823962601.db2.gz BDCUYIRIGXQGFA-AZUAARDMSA-N 1 2 398.413 4.220 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cc(-c2ccccc2)on1 ZINC000575370182 823963674 /nfs/dbraw/zinc/96/36/74/823963674.db2.gz TTZUILLRLGLEHG-UHFFFAOYSA-N 1 2 378.819 4.111 20 0 GIADLO Cc1cc([C@@H](NCc2c[nH+]c(N(C)C)n2C)c2ccccc2Cl)ccc1F ZINC000414356023 823964068 /nfs/dbraw/zinc/96/40/68/823964068.db2.gz DBPKGHGOVLAKHD-HXUWFJFHSA-N 1 2 386.902 4.466 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000192379079 823965754 /nfs/dbraw/zinc/96/57/54/823965754.db2.gz JVVGELLOXHZHNE-UHFFFAOYSA-N 1 2 388.943 4.252 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cnc(CC)nc1 ZINC000414373333 823968198 /nfs/dbraw/zinc/96/81/98/823968198.db2.gz ROMVVMMMZHYRSO-UHFFFAOYSA-N 1 2 381.307 4.197 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cnc(CC)nc1 ZINC000414373333 823968206 /nfs/dbraw/zinc/96/82/06/823968206.db2.gz ROMVVMMMZHYRSO-UHFFFAOYSA-N 1 2 381.307 4.197 20 0 GIADLO COCCn1cc2c(n1)[C@H](Nc1[nH+]ccc3cc(C(F)(F)F)ccc31)CCC2 ZINC000575498234 823974230 /nfs/dbraw/zinc/97/42/30/823974230.db2.gz YEBWCEBFDSNFFJ-QGZVFWFLSA-N 1 2 390.409 4.008 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)cs2)cc1OC ZINC000575612170 823979244 /nfs/dbraw/zinc/97/92/44/823979244.db2.gz NPQFQODBUAFVQB-MJGOQNOKSA-N 1 2 388.533 4.217 20 0 GIADLO COc1ccc(-c2nc(C[N@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)cs2)cc1OC ZINC000575612170 823979249 /nfs/dbraw/zinc/97/92/49/823979249.db2.gz NPQFQODBUAFVQB-MJGOQNOKSA-N 1 2 388.533 4.217 20 0 GIADLO CSCCc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000170830106 823983216 /nfs/dbraw/zinc/98/32/16/823983216.db2.gz LIBJYUDFUMARRF-UHFFFAOYSA-N 1 2 380.517 4.159 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccnc3ccccc32)C[C@H](C)O1 ZINC000126938760 823985205 /nfs/dbraw/zinc/98/52/05/823985205.db2.gz RESQFFVKZDMVCR-CALCHBBNSA-N 1 2 375.472 4.096 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccnc3ccccc32)C[C@H](C)O1 ZINC000126938760 823985209 /nfs/dbraw/zinc/98/52/09/823985209.db2.gz RESQFFVKZDMVCR-CALCHBBNSA-N 1 2 375.472 4.096 20 0 GIADLO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(I)c1 ZINC000575780151 823992966 /nfs/dbraw/zinc/99/29/66/823992966.db2.gz CJMOIXCZDDOZGQ-MRXNPFEDSA-N 1 2 382.220 4.162 20 0 GIADLO Fc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c(I)c1 ZINC000575780151 823992972 /nfs/dbraw/zinc/99/29/72/823992972.db2.gz CJMOIXCZDDOZGQ-MRXNPFEDSA-N 1 2 382.220 4.162 20 0 GIADLO COC(=O)Nc1cccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000170869058 823994791 /nfs/dbraw/zinc/99/47/91/823994791.db2.gz WEKOBWHMYNCNBP-UHFFFAOYSA-N 1 2 390.443 4.317 20 0 GIADLO C[NH2+]Cc1noc(C23C[C@H]4C[C@@H](C2)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C4)C3)n1 ZINC000414495070 823995351 /nfs/dbraw/zinc/99/53/51/823995351.db2.gz AZOGHNPECCFKOA-IQVVKZEBSA-N 1 2 397.363 4.163 20 0 GIADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192463487 824000846 /nfs/dbraw/zinc/00/08/46/824000846.db2.gz ZVRZEZMEUQIAMC-HNNXBMFYSA-N 1 2 386.442 4.195 20 0 GIADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192465600 824001631 /nfs/dbraw/zinc/00/16/31/824001631.db2.gz AQKJWNFLOYSUHD-QGZVFWFLSA-N 1 2 382.479 4.364 20 0 GIADLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192465610 824001684 /nfs/dbraw/zinc/00/16/84/824001684.db2.gz AQKJWNFLOYSUHD-KRWDZBQOSA-N 1 2 382.479 4.364 20 0 GIADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000192474881 824005439 /nfs/dbraw/zinc/00/54/39/824005439.db2.gz LEOKKOPRJXMIRU-UHFFFAOYSA-N 1 2 381.426 4.245 20 0 GIADLO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2c(F)cccc2Br)c1 ZINC000192480959 824007807 /nfs/dbraw/zinc/00/78/07/824007807.db2.gz YCIMJNKDGGTWCY-ZDUSSCGKSA-N 1 2 393.300 4.406 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1csnn1 ZINC000414548200 824008282 /nfs/dbraw/zinc/00/82/82/824008282.db2.gz JIGAJIWCNQCFNQ-UFBFGSQYSA-N 1 2 385.333 4.261 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1csnn1 ZINC000414548198 824008294 /nfs/dbraw/zinc/00/82/94/824008294.db2.gz JIGAJIWCNQCFNQ-PRHODGIISA-N 1 2 385.333 4.261 20 0 GIADLO CC(C)c1sc(NC(=O)C[N@@H+]2CC[C@@H](O)CC23CCC3)nc1-c1ccccc1 ZINC000575858731 824014531 /nfs/dbraw/zinc/01/45/31/824014531.db2.gz UIDGRURUWIRKOO-QGZVFWFLSA-N 1 2 399.560 4.251 20 0 GIADLO CC(C)c1sc(NC(=O)C[N@H+]2CC[C@@H](O)CC23CCC3)nc1-c1ccccc1 ZINC000575858731 824014536 /nfs/dbraw/zinc/01/45/36/824014536.db2.gz UIDGRURUWIRKOO-QGZVFWFLSA-N 1 2 399.560 4.251 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000192530003 824021124 /nfs/dbraw/zinc/02/11/24/824021124.db2.gz GGYZWZCVDDTFDH-RTBURBONSA-N 1 2 399.416 4.370 20 0 GIADLO Cc1ccc2[nH]cc(CCC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccc(F)c(F)c3)c2c1 ZINC000127131398 824023162 /nfs/dbraw/zinc/02/31/62/824023162.db2.gz VGILBAOLBBWDEL-FYYLOGMGSA-N 1 2 397.469 4.249 20 0 GIADLO Cc1ccc2[nH]cc(CCC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccc(F)c(F)c3)c2c1 ZINC000127131398 824023165 /nfs/dbraw/zinc/02/31/65/824023165.db2.gz VGILBAOLBBWDEL-FYYLOGMGSA-N 1 2 397.469 4.249 20 0 GIADLO Fc1ccc(C2([NH2+]Cc3nc(-c4ccc(Cl)cc4)no3)CCOCC2)cc1 ZINC000170972009 824024035 /nfs/dbraw/zinc/02/40/35/824024035.db2.gz ASYZCPNLVDMFIM-UHFFFAOYSA-N 1 2 387.842 4.325 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000127143102 824025933 /nfs/dbraw/zinc/02/59/33/824025933.db2.gz JYWIQPBHPNBNOY-UHFFFAOYSA-N 1 2 387.281 4.353 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCc4cc(N)ccc43)n2)C1 ZINC000414748567 824032650 /nfs/dbraw/zinc/03/26/50/824032650.db2.gz IRZZABODXHPUIU-IFXJQAMLSA-N 1 2 399.564 4.156 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCc4cc(N)ccc43)n2)C1 ZINC000414748567 824032654 /nfs/dbraw/zinc/03/26/54/824032654.db2.gz IRZZABODXHPUIU-IFXJQAMLSA-N 1 2 399.564 4.156 20 0 GIADLO c1sc(CCc2ccccc2)nc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000575992580 824045633 /nfs/dbraw/zinc/04/56/33/824045633.db2.gz BAZYKEAXFUTSCW-UHFFFAOYSA-N 1 2 378.497 4.436 20 0 GIADLO Cn1c(=S)n(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)nc1-c1cccnc1 ZINC000171045929 824046364 /nfs/dbraw/zinc/04/63/64/824046364.db2.gz VFUKCCBGSTUXML-GOSISDBHSA-N 1 2 379.533 4.240 20 0 GIADLO Cn1c(=S)n(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)nc1-c1cccnc1 ZINC000171045929 824046370 /nfs/dbraw/zinc/04/63/70/824046370.db2.gz VFUKCCBGSTUXML-GOSISDBHSA-N 1 2 379.533 4.240 20 0 GIADLO Cc1ccc(C[NH2+]Cc2c(F)cccc2Br)c(O[C@H]2CCOC2)c1 ZINC000192620570 824047171 /nfs/dbraw/zinc/04/71/71/824047171.db2.gz MSBAZQHTLSRJFY-HNNXBMFYSA-N 1 2 394.284 4.354 20 0 GIADLO Cc1ccc(C[NH2+]Cc2c(F)cccc2Br)c(O[C@@H]2CCOC2)c1 ZINC000192620554 824047276 /nfs/dbraw/zinc/04/72/76/824047276.db2.gz MSBAZQHTLSRJFY-OAHLLOKOSA-N 1 2 394.284 4.354 20 0 GIADLO CCC[N@H+](Cc1nnc(-c2ccco2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000171065957 824053888 /nfs/dbraw/zinc/05/38/88/824053888.db2.gz DUDYQGLVHMPCHF-IBGZPJMESA-N 1 2 380.492 4.206 20 0 GIADLO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000171065957 824053894 /nfs/dbraw/zinc/05/38/94/824053894.db2.gz DUDYQGLVHMPCHF-IBGZPJMESA-N 1 2 380.492 4.206 20 0 GIADLO O=C1C[C@@H](c2ccccc2)N1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000171067249 824054832 /nfs/dbraw/zinc/05/48/32/824054832.db2.gz RDVKWJMXBWWUGE-QHCPKHFHSA-N 1 2 389.474 4.197 20 0 GIADLO O=C1C[C@@H](c2ccccc2)N1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000171067249 824054838 /nfs/dbraw/zinc/05/48/38/824054838.db2.gz RDVKWJMXBWWUGE-QHCPKHFHSA-N 1 2 389.474 4.197 20 0 GIADLO C[C@H]1C[C@@H](NC(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c2[nH+]ccn21 ZINC000333197819 570735214 /nfs/dbraw/zinc/73/52/14/570735214.db2.gz QBADVXNQCJPNBR-ORAYPTAESA-N 1 2 381.455 4.099 20 0 GIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(c2cc(Cl)nc3ccc(C)cc32)CC1 ZINC001164917933 721814413 /nfs/dbraw/zinc/81/44/13/721814413.db2.gz QXMFFIDXFKXIKM-UHFFFAOYSA-N 1 2 395.938 4.143 20 0 GIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(c2cc(Cl)nc3ccc(C)cc32)CC1 ZINC001164917933 721814415 /nfs/dbraw/zinc/81/44/15/721814415.db2.gz QXMFFIDXFKXIKM-UHFFFAOYSA-N 1 2 395.938 4.143 20 0 GIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(C)c3cccc(Cl)c3n2)CC1 ZINC001164917014 721817999 /nfs/dbraw/zinc/81/79/99/721817999.db2.gz ABMBBCOREGOBJW-UHFFFAOYSA-N 1 2 395.938 4.143 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)c3cc(C4CC4)nc4ccc(Cl)cc43)sc2C1 ZINC000175835332 823051039 /nfs/dbraw/zinc/05/10/39/823051039.db2.gz NYGZLZDFBKMQES-UHFFFAOYSA-N 1 2 398.919 4.462 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)c3cc(C4CC4)nc4ccc(Cl)cc43)sc2C1 ZINC000175835332 823051044 /nfs/dbraw/zinc/05/10/44/823051044.db2.gz NYGZLZDFBKMQES-UHFFFAOYSA-N 1 2 398.919 4.462 20 0 GIADLO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000570554852 823053800 /nfs/dbraw/zinc/05/38/00/823053800.db2.gz CVCAJBDWWWOREM-MRXNPFEDSA-N 1 2 395.890 4.110 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(Cl)c1 ZINC000175848776 823054784 /nfs/dbraw/zinc/05/47/84/823054784.db2.gz YHLKGLPBLIKGTQ-YOEHRIQHSA-N 1 2 378.925 4.237 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(Cl)c1 ZINC000175848776 823054787 /nfs/dbraw/zinc/05/47/87/823054787.db2.gz YHLKGLPBLIKGTQ-YOEHRIQHSA-N 1 2 378.925 4.237 20 0 GIADLO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1nccn1CC(F)(F)F)c1cccs1 ZINC000175859383 823056876 /nfs/dbraw/zinc/05/68/76/823056876.db2.gz YHNKJEWNWYKXMG-CABCVRRESA-N 1 2 387.471 4.375 20 0 GIADLO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1nccn1CC(F)(F)F)c1cccs1 ZINC000175859383 823056877 /nfs/dbraw/zinc/05/68/77/823056877.db2.gz YHNKJEWNWYKXMG-CABCVRRESA-N 1 2 387.471 4.375 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000187412020 823058274 /nfs/dbraw/zinc/05/82/74/823058274.db2.gz CTQSIJLHMHLRJX-UHFFFAOYSA-N 1 2 393.340 4.372 20 0 GIADLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c(Br)c1OC ZINC000055903328 823064533 /nfs/dbraw/zinc/06/45/33/823064533.db2.gz RFZRVJACUKROHL-CYBMUJFWSA-N 1 2 381.270 4.100 20 0 GIADLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)c(Br)c1OC ZINC000055903328 823064539 /nfs/dbraw/zinc/06/45/39/823064539.db2.gz RFZRVJACUKROHL-CYBMUJFWSA-N 1 2 381.270 4.100 20 0 GIADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000120800269 823066678 /nfs/dbraw/zinc/06/66/78/823066678.db2.gz KMHKCYKKFKKMEC-MRXNPFEDSA-N 1 2 388.458 4.452 20 0 GIADLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1c(F)cccc1Cl ZINC000175915132 823071331 /nfs/dbraw/zinc/07/13/31/823071331.db2.gz GWWFKVGQORTARK-CQSZACIVSA-N 1 2 390.890 4.425 20 0 GIADLO C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCC[C@H](Cc5[nH+]ccn5C)C4)cc3c2C1 ZINC000120856298 823077884 /nfs/dbraw/zinc/07/78/84/823077884.db2.gz AWQRIKFTXIUZSR-IAGOWNOFSA-N 1 2 390.531 4.121 20 0 GIADLO Brc1cncc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000175956187 823081618 /nfs/dbraw/zinc/08/16/18/823081618.db2.gz PXSKZXNPCPSMSI-LJQANCHMSA-N 1 2 375.310 4.068 20 0 GIADLO Brc1cncc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000175956187 823081624 /nfs/dbraw/zinc/08/16/24/823081624.db2.gz PXSKZXNPCPSMSI-LJQANCHMSA-N 1 2 375.310 4.068 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(OCC3CC3)cc2)C[C@H](C)O1 ZINC000056016621 823079175 /nfs/dbraw/zinc/07/91/75/823079175.db2.gz CVDSZLMDBMIKSK-ROUUACIJSA-N 1 2 394.515 4.337 20 0 GIADLO O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120883120 823081824 /nfs/dbraw/zinc/08/18/24/823081824.db2.gz QEIJGFVYLVJKGI-QGZVFWFLSA-N 1 2 393.874 4.454 20 0 GIADLO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(O)ccc1Br)CCO2 ZINC000187551091 823086958 /nfs/dbraw/zinc/08/69/58/823086958.db2.gz NNBPBGMWAPEJAL-QGZVFWFLSA-N 1 2 378.266 4.167 20 0 GIADLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)Cc1ccccc1Br ZINC000570810943 823090221 /nfs/dbraw/zinc/09/02/21/823090221.db2.gz HMLNPJAKCNWNSO-UHFFFAOYSA-N 1 2 385.309 4.279 20 0 GIADLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)Cc1ccccc1Br ZINC000570810943 823090226 /nfs/dbraw/zinc/09/02/26/823090226.db2.gz HMLNPJAKCNWNSO-UHFFFAOYSA-N 1 2 385.309 4.279 20 0 GIADLO CC(C)COc1ccc([C@@H](C)NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120955235 823092588 /nfs/dbraw/zinc/09/25/88/823092588.db2.gz ZIXOBYZMQYEYOT-RTBURBONSA-N 1 2 398.551 4.180 20 0 GIADLO Cc1cc(CCC(=O)NCCCCNc2cccc[nH+]2)ccc1Br ZINC000176002238 823092623 /nfs/dbraw/zinc/09/26/23/823092623.db2.gz MPQBQBIARVRYQK-UHFFFAOYSA-N 1 2 390.325 4.094 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000176004349 823093040 /nfs/dbraw/zinc/09/30/40/823093040.db2.gz PIHUTXUIYWVQIQ-QHCPKHFHSA-N 1 2 392.547 4.268 20 0 GIADLO Cn1cccc1[C@@H]1CCCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458883872 823101389 /nfs/dbraw/zinc/10/13/89/823101389.db2.gz NIHLMRZSFISCNW-FQEVSTJZSA-N 1 2 397.910 4.301 20 0 GIADLO COc1cccc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1OC ZINC000056201762 823101985 /nfs/dbraw/zinc/10/19/85/823101985.db2.gz VJWYTBJAKXALII-OAQYLSRUSA-N 1 2 376.456 4.173 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C/C=C/c2cccc(F)c2)C[C@@H](C)O1 ZINC000176034600 823102058 /nfs/dbraw/zinc/10/20/58/823102058.db2.gz DHIYMZKNMCMZQO-IGCXZHCHSA-N 1 2 382.479 4.477 20 0 GIADLO CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000176036815 823102615 /nfs/dbraw/zinc/10/26/15/823102615.db2.gz WYBNAEYKDPVXDG-FQEVSTJZSA-N 1 2 383.467 4.167 20 0 GIADLO CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000176036815 823102618 /nfs/dbraw/zinc/10/26/18/823102618.db2.gz WYBNAEYKDPVXDG-FQEVSTJZSA-N 1 2 383.467 4.167 20 0 GIADLO COc1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1OCCC(C)C ZINC000187653171 823105809 /nfs/dbraw/zinc/10/58/09/823105809.db2.gz GIFUPCQXYPBDBR-UHFFFAOYSA-N 1 2 387.442 4.464 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccccc2N(C)C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000121097768 823117831 /nfs/dbraw/zinc/11/78/31/823117831.db2.gz HHIDPURDTNXCIN-DYESRHJHSA-N 1 2 381.524 4.377 20 0 GIADLO O=C(NC[C@H]1CCCC1(F)F)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000459073347 823124265 /nfs/dbraw/zinc/12/42/65/823124265.db2.gz RSVRRSJXJVULSO-MRXNPFEDSA-N 1 2 396.869 4.184 20 0 GIADLO O=C(Nc1ccc(F)cc1OC1CCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121114399 823120892 /nfs/dbraw/zinc/12/08/92/823120892.db2.gz KWEKYNIYBFXPEI-GOSISDBHSA-N 1 2 385.439 4.227 20 0 GIADLO C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000571049194 823125323 /nfs/dbraw/zinc/12/53/23/823125323.db2.gz FKRPSLBFILLAQA-IRXDYDNUSA-N 1 2 381.451 4.430 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c[nH+]1 ZINC000459110377 823129071 /nfs/dbraw/zinc/12/90/71/823129071.db2.gz FNHUXSKGYDDVNX-UHFFFAOYSA-N 1 2 396.318 4.099 20 0 GIADLO C[C@H](NC(=O)NCc1cccc(OC(F)F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176133273 823131969 /nfs/dbraw/zinc/13/19/69/823131969.db2.gz VZIIXWJZHOWXHE-AWEZNQCLSA-N 1 2 386.402 4.034 20 0 GIADLO C[C@@H](c1nnc(SCCc2cccs2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000121178290 823132852 /nfs/dbraw/zinc/13/28/52/823132852.db2.gz ASSOVSXFBYKHFG-ZDUSSCGKSA-N 1 2 376.526 4.425 20 0 GIADLO COCc1ccccc1CNC(=O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121182487 823133842 /nfs/dbraw/zinc/13/38/42/823133842.db2.gz INUSNVXYASPWBJ-MRXNPFEDSA-N 1 2 389.565 4.031 20 0 GIADLO COCc1ccccc1CNC(=O)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121182487 823133844 /nfs/dbraw/zinc/13/38/44/823133844.db2.gz INUSNVXYASPWBJ-MRXNPFEDSA-N 1 2 389.565 4.031 20 0 GIADLO O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000056350446 823134246 /nfs/dbraw/zinc/13/42/46/823134246.db2.gz KTAPYLWEYBRJMK-FQEVSTJZSA-N 1 2 391.471 4.132 20 0 GIADLO COc1ccc([C@H](C)[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1O ZINC000571129473 823137328 /nfs/dbraw/zinc/13/73/28/823137328.db2.gz RTVKIJXIOKVEHE-AOMKIAJQSA-N 1 2 376.456 4.431 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000121226859 823142634 /nfs/dbraw/zinc/14/26/34/823142634.db2.gz YDRSOHFGGGYHNK-UHFFFAOYSA-N 1 2 392.463 4.081 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000121230863 823143461 /nfs/dbraw/zinc/14/34/61/823143461.db2.gz GHNRUZGXVJBOQN-UHFFFAOYSA-N 1 2 377.513 4.158 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000121230863 823143463 /nfs/dbraw/zinc/14/34/63/823143463.db2.gz GHNRUZGXVJBOQN-UHFFFAOYSA-N 1 2 377.513 4.158 20 0 GIADLO Cc1coc(-c2ccc(C)c(NC(=O)NCCc3cn4cccc(C)c4[nH+]3)c2)n1 ZINC000121258988 823149840 /nfs/dbraw/zinc/14/98/40/823149840.db2.gz KLTVAZVZMVRZFY-UHFFFAOYSA-N 1 2 389.459 4.279 20 0 GIADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000571246558 823154990 /nfs/dbraw/zinc/15/49/90/823154990.db2.gz NRQRBDLQFBHBEQ-GDNBJRDFSA-N 1 2 399.420 4.278 20 0 GIADLO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000571246558 823154991 /nfs/dbraw/zinc/15/49/91/823154991.db2.gz NRQRBDLQFBHBEQ-GDNBJRDFSA-N 1 2 399.420 4.278 20 0 GIADLO Cn1c[nH+]cc1CCNC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000121322526 823163303 /nfs/dbraw/zinc/16/33/03/823163303.db2.gz JPKZPORVJJNFBP-UHFFFAOYSA-N 1 2 395.406 4.020 20 0 GIADLO Cc1ccc(CS(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1C ZINC000571319253 823164464 /nfs/dbraw/zinc/16/44/64/823164464.db2.gz RAQPIRWYAHYANH-UHFFFAOYSA-N 1 2 375.881 4.084 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000056593314 823176760 /nfs/dbraw/zinc/17/67/60/823176760.db2.gz ADYXQMBZOZTGKC-UHFFFAOYSA-N 1 2 398.470 4.257 20 0 GIADLO CC[C@@H](C)Oc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000056598691 823177811 /nfs/dbraw/zinc/17/78/11/823177811.db2.gz BNQSZWXQEHTMBF-GOSISDBHSA-N 1 2 392.503 4.473 20 0 GIADLO COc1cc(-c2noc(C[N@H+](C)[C@@H]3CCCc4nc(C)sc43)n2)ccc1C ZINC000121403695 823178124 /nfs/dbraw/zinc/17/81/24/823178124.db2.gz PVJWQLWUMOZJOV-MRXNPFEDSA-N 1 2 384.505 4.328 20 0 GIADLO COc1cc(-c2noc(C[N@@H+](C)[C@@H]3CCCc4nc(C)sc43)n2)ccc1C ZINC000121403695 823178130 /nfs/dbraw/zinc/17/81/30/823178130.db2.gz PVJWQLWUMOZJOV-MRXNPFEDSA-N 1 2 384.505 4.328 20 0 GIADLO CCOC[C@H]1CC[N@H+](Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)C1 ZINC000176329599 823183497 /nfs/dbraw/zinc/18/34/97/823183497.db2.gz JIVQLUINDIWBDS-INIZCTEOSA-N 1 2 397.544 4.127 20 0 GIADLO CCOC[C@H]1CC[N@@H+](Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)C1 ZINC000176329599 823183501 /nfs/dbraw/zinc/18/35/01/823183501.db2.gz JIVQLUINDIWBDS-INIZCTEOSA-N 1 2 397.544 4.127 20 0 GIADLO C[C@@H](CCCc1cccnc1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000459382126 823178519 /nfs/dbraw/zinc/17/85/19/823178519.db2.gz FDWGWZRYRRSBBH-OALUTQOASA-N 1 2 396.535 4.008 20 0 GIADLO COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000459388221 823180311 /nfs/dbraw/zinc/18/03/11/823180311.db2.gz ORVAJJHRJQHVOP-MSOLQXFVSA-N 1 2 397.519 4.280 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCCC2)n1 ZINC000459391069 823181124 /nfs/dbraw/zinc/18/11/24/823181124.db2.gz UOLXADGDMNLNSM-QGZVFWFLSA-N 1 2 377.872 4.311 20 0 GIADLO CCC1(c2ccccc2)CN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000459391904 823181430 /nfs/dbraw/zinc/18/14/30/823181430.db2.gz VWNPHYORWWVIPZ-IBGZPJMESA-N 1 2 393.531 4.275 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000121442672 823185263 /nfs/dbraw/zinc/18/52/63/823185263.db2.gz IPCNBOOCGPHCNP-UHFFFAOYSA-N 1 2 382.439 4.155 20 0 GIADLO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000176383962 823195360 /nfs/dbraw/zinc/19/53/60/823195360.db2.gz QVXCCMFTEMBHRQ-GOSISDBHSA-N 1 2 399.498 4.110 20 0 GIADLO COc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000056659927 823191670 /nfs/dbraw/zinc/19/16/70/823191670.db2.gz XVQUMZRUJBYKRB-UHFFFAOYSA-N 1 2 390.365 4.221 20 0 GIADLO CN(Cc1ccccc1)c1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000056678127 823192795 /nfs/dbraw/zinc/19/27/95/823192795.db2.gz IKBVISLJWWTHJL-UHFFFAOYSA-N 1 2 377.492 4.121 20 0 GIADLO CC(C)OCc1c2ccccc2oc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121493433 823194224 /nfs/dbraw/zinc/19/42/24/823194224.db2.gz NBPFTPHXHHFQSI-KRWDZBQOSA-N 1 2 380.444 4.046 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459464982 823197957 /nfs/dbraw/zinc/19/79/57/823197957.db2.gz NKCHCGLDYKCISM-FPOVZHCZSA-N 1 2 394.519 4.027 20 0 GIADLO CC[N@H+](CC(=O)N(C)[C@H](C)c1sc(C)nc1C)Cc1ccccc1Cl ZINC000571542813 823198292 /nfs/dbraw/zinc/19/82/92/823198292.db2.gz XBCYNXGRUAJJCM-CQSZACIVSA-N 1 2 379.957 4.455 20 0 GIADLO CC[N@@H+](CC(=O)N(C)[C@H](C)c1sc(C)nc1C)Cc1ccccc1Cl ZINC000571542813 823198295 /nfs/dbraw/zinc/19/82/95/823198295.db2.gz XBCYNXGRUAJJCM-CQSZACIVSA-N 1 2 379.957 4.455 20 0 GIADLO O=C(Nc1ccccc1COc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000056748368 823206372 /nfs/dbraw/zinc/20/63/72/823206372.db2.gz GDRMTNOSXDCBIL-UHFFFAOYSA-N 1 2 388.471 4.015 20 0 GIADLO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459488237 823202830 /nfs/dbraw/zinc/20/28/30/823202830.db2.gz IDSCUDVCWNTRPM-SJCJKPOMSA-N 1 2 393.409 4.040 20 0 GIADLO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459488237 823202836 /nfs/dbraw/zinc/20/28/36/823202836.db2.gz IDSCUDVCWNTRPM-SJCJKPOMSA-N 1 2 393.409 4.040 20 0 GIADLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000571604356 823207005 /nfs/dbraw/zinc/20/70/05/823207005.db2.gz NAOOVSJHRGOQPH-FSSWDIPSSA-N 1 2 394.515 4.264 20 0 GIADLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000571604356 823207010 /nfs/dbraw/zinc/20/70/10/823207010.db2.gz NAOOVSJHRGOQPH-FSSWDIPSSA-N 1 2 394.515 4.264 20 0 GIADLO O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000176444439 823209235 /nfs/dbraw/zinc/20/92/35/823209235.db2.gz UQCGNFCQKLQCAQ-UHFFFAOYSA-N 1 2 392.890 4.123 20 0 GIADLO O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)N1CCC(n2cc[nH+]c2)CC1 ZINC000121597881 823213471 /nfs/dbraw/zinc/21/34/71/823213471.db2.gz RHHQBRYHVKMHTL-HXUWFJFHSA-N 1 2 395.894 4.068 20 0 GIADLO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc(Br)c1O ZINC000459555518 823219476 /nfs/dbraw/zinc/21/94/76/823219476.db2.gz GDQUXDRLFNLMHL-MRXNPFEDSA-N 1 2 377.282 4.286 20 0 GIADLO CCOc1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc(Br)c1O ZINC000459555518 823219478 /nfs/dbraw/zinc/21/94/78/823219478.db2.gz GDQUXDRLFNLMHL-MRXNPFEDSA-N 1 2 377.282 4.286 20 0 GIADLO COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000571695425 823220174 /nfs/dbraw/zinc/22/01/74/823220174.db2.gz DQRDSIUBUIOQAG-JPYJTQIMSA-N 1 2 389.499 4.092 20 0 GIADLO Cc1sc2nc([C@H](C)[N@@H+]3CC[C@@](C)(C(=O)OC(C)(C)C)C3)[nH]c(=O)c2c1C ZINC000459571813 823223203 /nfs/dbraw/zinc/22/32/03/823223203.db2.gz CZENRCNCMSKNMA-FKIZINRSSA-N 1 2 391.537 4.128 20 0 GIADLO Cc1sc2nc([C@H](C)[N@H+]3CC[C@@](C)(C(=O)OC(C)(C)C)C3)[nH]c(=O)c2c1C ZINC000459571813 823223209 /nfs/dbraw/zinc/22/32/09/823223209.db2.gz CZENRCNCMSKNMA-FKIZINRSSA-N 1 2 391.537 4.128 20 0 GIADLO COc1cccc(-c2nc(C[S@@](=O)Cc3cn4cccc(C)c4[nH+]3)cs2)c1 ZINC000176501563 823222621 /nfs/dbraw/zinc/22/26/21/823222621.db2.gz NAIWCOCDLZMXFY-MHZLTWQESA-N 1 2 397.525 4.224 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000176487233 823219045 /nfs/dbraw/zinc/21/90/45/823219045.db2.gz BMMJQHDQUBVDEL-AATRIKPKSA-N 1 2 381.495 4.389 20 0 GIADLO Cc1cccn2cc(C[S@](=O)Cc3coc(-c4ccc(F)c(F)c4)n3)[nH+]c12 ZINC000176509515 823224661 /nfs/dbraw/zinc/22/46/61/823224661.db2.gz ZNDVYJVXYVMHCT-MHZLTWQESA-N 1 2 387.411 4.025 20 0 GIADLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000056873967 823226599 /nfs/dbraw/zinc/22/65/99/823226599.db2.gz DMBYNGRXYVSYDS-MRXNPFEDSA-N 1 2 378.476 4.165 20 0 GIADLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000121672352 823227554 /nfs/dbraw/zinc/22/75/54/823227554.db2.gz YXZXGHLAMMMBSI-UONOGXRCSA-N 1 2 381.455 4.085 20 0 GIADLO CCc1noc(CSc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)n1 ZINC000121686476 823230533 /nfs/dbraw/zinc/23/05/33/823230533.db2.gz ZESUSQHTCGHJAQ-UHFFFAOYSA-N 1 2 389.550 4.142 20 0 GIADLO COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000571766339 823232155 /nfs/dbraw/zinc/23/21/55/823232155.db2.gz RVIVRKHQCMXRSL-AWEZNQCLSA-N 1 2 383.473 4.296 20 0 GIADLO COc1ccc(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)c(Br)c1OC ZINC000459632267 823233404 /nfs/dbraw/zinc/23/34/04/823233404.db2.gz JFQZTMZKZABKOD-JTQLQIEISA-N 1 2 397.338 4.262 20 0 GIADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057024691 823240738 /nfs/dbraw/zinc/24/07/38/823240738.db2.gz WTOHEVZBABOUQG-RTBURBONSA-N 1 2 395.547 4.358 20 0 GIADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057024693 823240754 /nfs/dbraw/zinc/24/07/54/823240754.db2.gz WTOHEVZBABOUQG-MOPGFXCFSA-N 1 2 395.547 4.358 20 0 GIADLO CCc1noc2ncc(C(=O)Nc3ccccc3-c3[nH+]cc4n3CCCC4)cc12 ZINC000571863306 823247342 /nfs/dbraw/zinc/24/73/42/823247342.db2.gz IZDXGVLQIPTXNG-UHFFFAOYSA-N 1 2 387.443 4.237 20 0 GIADLO Cc1ccccc1C1(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCC1 ZINC000409532915 823243670 /nfs/dbraw/zinc/24/36/70/823243670.db2.gz YBEOBPWGVZLQKO-IBGZPJMESA-N 1 2 378.516 4.449 20 0 GIADLO OCC1CCN(c2ccc(NCc3cnc(-c4ccccc4F)s3)[nH+]c2)CC1 ZINC000571867255 823247769 /nfs/dbraw/zinc/24/77/69/823247769.db2.gz NZBCNQUJWWLGGA-UHFFFAOYSA-N 1 2 398.507 4.165 20 0 GIADLO C[C@H]1CCCN(C(=O)C2CC[NH+](Cn3cc(-c4ccccc4)oc3=S)CC2)C1 ZINC000057086519 823248454 /nfs/dbraw/zinc/24/84/54/823248454.db2.gz FROJAJRNIUMEBF-KRWDZBQOSA-N 1 2 399.560 4.406 20 0 GIADLO C[C@@H]1CCN(C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000188485412 823248858 /nfs/dbraw/zinc/24/88/58/823248858.db2.gz ITQSMTRGETYYFR-CXAGYDPISA-N 1 2 395.400 4.182 20 0 GIADLO C[C@H]1CCN(C(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000188485344 823248994 /nfs/dbraw/zinc/24/89/94/823248994.db2.gz NJRGGCZGCUWDQJ-MAUKXSAKSA-N 1 2 391.437 4.334 20 0 GIADLO CC(C)Cn1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000571901992 823251262 /nfs/dbraw/zinc/25/12/62/823251262.db2.gz FQMFBMBKXLZCNL-UHFFFAOYSA-N 1 2 386.499 4.472 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N(Cc1cccc(F)c1)C1CC1 ZINC000121796227 823253027 /nfs/dbraw/zinc/25/30/27/823253027.db2.gz PESPEENPEONFHJ-UHFFFAOYSA-N 1 2 382.483 4.085 20 0 GIADLO CCOC[C@H]1CCCC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000459723308 823256950 /nfs/dbraw/zinc/25/69/50/823256950.db2.gz VPNISNLXUATTKQ-MRXNPFEDSA-N 1 2 383.517 4.455 20 0 GIADLO CCOC[C@H]1CCCC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000459723308 823256954 /nfs/dbraw/zinc/25/69/54/823256954.db2.gz VPNISNLXUATTKQ-MRXNPFEDSA-N 1 2 383.517 4.455 20 0 GIADLO CCOc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc(Br)c1OC(F)F ZINC000459745147 823259632 /nfs/dbraw/zinc/25/96/32/823259632.db2.gz FBYSMXWNHFLPCC-QWRGUYRKSA-N 1 2 394.281 4.139 20 0 GIADLO CCOc1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc(Br)c1OC(F)F ZINC000459745147 823259640 /nfs/dbraw/zinc/25/96/40/823259640.db2.gz FBYSMXWNHFLPCC-QWRGUYRKSA-N 1 2 394.281 4.139 20 0 GIADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000571966026 823261831 /nfs/dbraw/zinc/26/18/31/823261831.db2.gz COAJWUDWVLETRX-KRWDZBQOSA-N 1 2 387.405 4.332 20 0 GIADLO CC(C)(C)c1ccccc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000057191854 823262425 /nfs/dbraw/zinc/26/24/25/823262425.db2.gz ZFVYVUJOPGDNFZ-UHFFFAOYSA-N 1 2 390.487 4.462 20 0 GIADLO Cc1ccc(-c2c[nH]cc2C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000188591848 823268381 /nfs/dbraw/zinc/26/83/81/823268381.db2.gz JQCCCMMEFFUUCH-UHFFFAOYSA-N 1 2 381.501 4.136 20 0 GIADLO Cc1ccc(-c2c[nH]cc2C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)s1 ZINC000188598209 823269731 /nfs/dbraw/zinc/26/97/31/823269731.db2.gz XBJFAMIDGGSOCM-UHFFFAOYSA-N 1 2 394.544 4.051 20 0 GIADLO CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1cccc2ccccc21 ZINC000057360850 823281925 /nfs/dbraw/zinc/28/19/25/823281925.db2.gz HVGNCYJQAGBUIA-UHFFFAOYSA-N 1 2 398.466 4.342 20 0 GIADLO CCOc1ccc([C@@H](NC(=O)NCCCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000057374173 823283951 /nfs/dbraw/zinc/28/39/51/823283951.db2.gz IZSLYWZXCXJNCE-QFIPXVFZSA-N 1 2 392.503 4.151 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000057374976 823284319 /nfs/dbraw/zinc/28/43/19/823284319.db2.gz XKSQMDTUHMWPCU-HXUWFJFHSA-N 1 2 382.895 4.406 20 0 GIADLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)[nH+]1 ZINC000007048304 817746803 /nfs/dbraw/zinc/74/68/03/817746803.db2.gz WQHLJTJTGDNVCU-AWEZNQCLSA-N 1 2 380.473 4.279 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1F ZINC000007219268 817796155 /nfs/dbraw/zinc/79/61/55/817796155.db2.gz OABHNMUQPNNWCZ-UHFFFAOYSA-N 1 2 399.510 4.285 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1F ZINC000007219268 817796163 /nfs/dbraw/zinc/79/61/63/817796163.db2.gz OABHNMUQPNNWCZ-UHFFFAOYSA-N 1 2 399.510 4.285 20 0 GIADLO CN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460123010 823288965 /nfs/dbraw/zinc/28/89/65/823288965.db2.gz IBAFLXZKDGCFNR-GASCZTMLSA-N 1 2 398.404 4.274 20 0 GIADLO C[C@@H]1CCN(c2ccnc3c(Br)ccc(F)c32)C[C@@H]1n1cc[nH+]c1 ZINC000409716714 823289468 /nfs/dbraw/zinc/28/94/68/823289468.db2.gz CQBOTSOUKGJIQE-WBMJQRKESA-N 1 2 389.272 4.420 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000007266102 817807240 /nfs/dbraw/zinc/80/72/40/817807240.db2.gz NBJKYEOSFAERID-CYBMUJFWSA-N 1 2 389.293 4.111 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000007266102 817807251 /nfs/dbraw/zinc/80/72/51/817807251.db2.gz NBJKYEOSFAERID-CYBMUJFWSA-N 1 2 389.293 4.111 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N3CCO[C@@H](c4ccco4)C3)c12 ZINC000409722760 823290886 /nfs/dbraw/zinc/29/08/86/823290886.db2.gz PYVZMGUEOCVPGW-OAHLLOKOSA-N 1 2 377.213 4.307 20 0 GIADLO Cc1noc(C)c1[C@@H](C)CNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000409732076 823293487 /nfs/dbraw/zinc/29/34/87/823293487.db2.gz SNABREBVZULUBS-VIFPVBQESA-N 1 2 378.245 4.379 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000057423184 823294233 /nfs/dbraw/zinc/29/42/33/823294233.db2.gz KRKZGJXYSVKJLO-LJQANCHMSA-N 1 2 386.858 4.155 20 0 GIADLO Cc1cc(C)c(CCNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000409735850 823295189 /nfs/dbraw/zinc/29/51/89/823295189.db2.gz DDBHYQZBFLQEBF-FQEVSTJZSA-N 1 2 394.563 4.276 20 0 GIADLO Cc1cccc(OCCCCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000057431355 823295711 /nfs/dbraw/zinc/29/57/11/823295711.db2.gz RAXSFQGBHZRJIT-UHFFFAOYSA-N 1 2 377.488 4.105 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C)c1 ZINC000007716957 817901698 /nfs/dbraw/zinc/90/16/98/817901698.db2.gz GFXKFXXXIVPRPO-LJQANCHMSA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C)c1 ZINC000007716957 817901702 /nfs/dbraw/zinc/90/17/02/817901702.db2.gz GFXKFXXXIVPRPO-LJQANCHMSA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000007719554 817902336 /nfs/dbraw/zinc/90/23/36/817902336.db2.gz SYBKSWQKXIBAJZ-IBGZPJMESA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000007719554 817902342 /nfs/dbraw/zinc/90/23/42/817902342.db2.gz SYBKSWQKXIBAJZ-IBGZPJMESA-N 1 2 388.895 4.441 20 0 GIADLO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000007856618 817940624 /nfs/dbraw/zinc/94/06/24/817940624.db2.gz BEPFPYBFMOQEQY-UGKGYDQZSA-N 1 2 379.529 4.129 20 0 GIADLO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000007856618 817940632 /nfs/dbraw/zinc/94/06/32/817940632.db2.gz BEPFPYBFMOQEQY-UGKGYDQZSA-N 1 2 379.529 4.129 20 0 GIADLO Cc1ccccc1CNC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000008001179 817978821 /nfs/dbraw/zinc/97/88/21/817978821.db2.gz JMURLNJGQVVANA-OAQYLSRUSA-N 1 2 382.554 4.382 20 0 GIADLO Cc1ccccc1CNC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000008001179 817978824 /nfs/dbraw/zinc/97/88/24/817978824.db2.gz JMURLNJGQVVANA-OAQYLSRUSA-N 1 2 382.554 4.382 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2OC)s1 ZINC000122057201 823299973 /nfs/dbraw/zinc/29/99/73/823299973.db2.gz XMXVUQQHWCWXEG-JKSUJKDBSA-N 1 2 389.565 4.235 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2OC)s1 ZINC000122057201 823299980 /nfs/dbraw/zinc/29/99/80/823299980.db2.gz XMXVUQQHWCWXEG-JKSUJKDBSA-N 1 2 389.565 4.235 20 0 GIADLO O=C(CCOCc1ccccc1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000057490575 823303561 /nfs/dbraw/zinc/30/35/61/823303561.db2.gz FXTGEWBTRJIPFX-UHFFFAOYSA-N 1 2 375.472 4.432 20 0 GIADLO COc1cccc(OC)c1OC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000122094018 823305623 /nfs/dbraw/zinc/30/56/23/823305623.db2.gz PWJGWOHCAXEMHC-UHFFFAOYSA-N 1 2 381.394 4.165 20 0 GIADLO O=c1[nH]c(C[NH+]2CCC(CCc3ccccc3)CC2)nc2sc3c(c21)CCC3 ZINC000011155185 818057894 /nfs/dbraw/zinc/05/78/94/818057894.db2.gz VENUGUXDNLWHKK-UHFFFAOYSA-N 1 2 393.556 4.318 20 0 GIADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1cccc2c1CC(=O)CC2 ZINC000572278504 823311976 /nfs/dbraw/zinc/31/19/76/823311976.db2.gz DOJUXJZMJJEWEI-UHFFFAOYSA-N 1 2 385.467 4.197 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1cc(C(F)F)nc(SC)n1 ZINC000572303832 823316736 /nfs/dbraw/zinc/31/67/36/823316736.db2.gz YPHGHIGVFUVRGJ-UHFFFAOYSA-N 1 2 393.507 4.274 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(OC)c(Cl)c2)s1 ZINC000122180538 823317657 /nfs/dbraw/zinc/31/76/57/823317657.db2.gz RPTKNFMPQYWBLI-GFCCVEGCSA-N 1 2 381.929 4.307 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(OC)c(Cl)c2)s1 ZINC000122180538 823317666 /nfs/dbraw/zinc/31/76/66/823317666.db2.gz RPTKNFMPQYWBLI-GFCCVEGCSA-N 1 2 381.929 4.307 20 0 GIADLO CC(C)c1ccc(-n2nnnc2SCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000014075841 818220499 /nfs/dbraw/zinc/22/04/99/818220499.db2.gz DLMGJRFCBGQYKE-UHFFFAOYSA-N 1 2 376.489 4.264 20 0 GIADLO COc1ccc(-c2nn(C[N@@H+]3CCC[C@@H]3c3ccccc3)c(=S)n2C)cc1 ZINC000014308316 818233323 /nfs/dbraw/zinc/23/33/23/818233323.db2.gz VMQSYTRXUUTVAO-LJQANCHMSA-N 1 2 380.517 4.421 20 0 GIADLO COc1ccc(-c2nn(C[N@H+]3CCC[C@@H]3c3ccccc3)c(=S)n2C)cc1 ZINC000014308316 818233332 /nfs/dbraw/zinc/23/33/32/818233332.db2.gz VMQSYTRXUUTVAO-LJQANCHMSA-N 1 2 380.517 4.421 20 0 GIADLO COc1ccc(OCC[N@H+](C)Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000015307827 818311794 /nfs/dbraw/zinc/31/17/94/818311794.db2.gz IKAJIAKIVNTNPJ-UHFFFAOYSA-N 1 2 381.476 4.379 20 0 GIADLO COc1ccc(OCC[N@@H+](C)Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000015307827 818311799 /nfs/dbraw/zinc/31/17/99/818311799.db2.gz IKAJIAKIVNTNPJ-UHFFFAOYSA-N 1 2 381.476 4.379 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCCc2ccccc21 ZINC000015452142 818326912 /nfs/dbraw/zinc/32/69/12/818326912.db2.gz ZKIDLXOYFOTMCC-LJQANCHMSA-N 1 2 377.513 4.413 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCCc2ccccc21 ZINC000015452142 818326918 /nfs/dbraw/zinc/32/69/18/818326918.db2.gz ZKIDLXOYFOTMCC-LJQANCHMSA-N 1 2 377.513 4.413 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCc2ccccc2C1 ZINC000015452161 818326980 /nfs/dbraw/zinc/32/69/80/818326980.db2.gz ARBJXQIEQRSIAY-IBGZPJMESA-N 1 2 377.513 4.018 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCc2ccccc2C1 ZINC000015452161 818326988 /nfs/dbraw/zinc/32/69/88/818326988.db2.gz ARBJXQIEQRSIAY-IBGZPJMESA-N 1 2 377.513 4.018 20 0 GIADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccoc1C1CC1 ZINC000409860894 823328855 /nfs/dbraw/zinc/32/88/55/823328855.db2.gz VEAJNZUBNJOXKO-HRAATJIYSA-N 1 2 381.520 4.233 20 0 GIADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccoc1C1CC1 ZINC000409860894 823328859 /nfs/dbraw/zinc/32/88/59/823328859.db2.gz VEAJNZUBNJOXKO-HRAATJIYSA-N 1 2 381.520 4.233 20 0 GIADLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@H+](CC)Cc1cccs1 ZINC000015485756 818328126 /nfs/dbraw/zinc/32/81/26/818328126.db2.gz UJMFTSSFLSCFFR-UHFFFAOYSA-N 1 2 380.535 4.009 20 0 GIADLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@@H+](CC)Cc1cccs1 ZINC000015485756 818328132 /nfs/dbraw/zinc/32/81/32/818328132.db2.gz UJMFTSSFLSCFFR-UHFFFAOYSA-N 1 2 380.535 4.009 20 0 GIADLO CCc1ccc([C@H]2COCC[N@@H+]2CCC(=O)Nc2cccc3ccccc32)o1 ZINC000572371068 823328964 /nfs/dbraw/zinc/32/89/64/823328964.db2.gz LXHIULZSGQSWRN-OAQYLSRUSA-N 1 2 378.472 4.397 20 0 GIADLO CCc1ccc([C@H]2COCC[N@H+]2CCC(=O)Nc2cccc3ccccc32)o1 ZINC000572371068 823328970 /nfs/dbraw/zinc/32/89/70/823328970.db2.gz LXHIULZSGQSWRN-OAQYLSRUSA-N 1 2 378.472 4.397 20 0 GIADLO NC(=O)C[NH+](Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 ZINC000015544408 818336495 /nfs/dbraw/zinc/33/64/95/818336495.db2.gz OXKUOJOIMYLYPP-UHFFFAOYSA-N 1 2 390.327 4.212 20 0 GIADLO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)N1CCc2ccccc21 ZINC000015548603 818337260 /nfs/dbraw/zinc/33/72/60/818337260.db2.gz GLJOMTABMAMRLZ-NRFANRHFSA-N 1 2 380.538 4.346 20 0 GIADLO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)N1CCc2ccccc21 ZINC000015548603 818337263 /nfs/dbraw/zinc/33/72/63/818337263.db2.gz GLJOMTABMAMRLZ-NRFANRHFSA-N 1 2 380.538 4.346 20 0 GIADLO COc1ccc(-c2nn(C[N@H+](Cc3ccccc3)C(C)C)c(=S)n2C)cc1 ZINC000016081419 818390392 /nfs/dbraw/zinc/39/03/92/818390392.db2.gz BOKFHGJJVJHMGT-UHFFFAOYSA-N 1 2 382.533 4.495 20 0 GIADLO COc1ccc(-c2nn(C[N@@H+](Cc3ccccc3)C(C)C)c(=S)n2C)cc1 ZINC000016081419 818390401 /nfs/dbraw/zinc/39/04/01/818390401.db2.gz BOKFHGJJVJHMGT-UHFFFAOYSA-N 1 2 382.533 4.495 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)c(OC)c1 ZINC000016377164 818430790 /nfs/dbraw/zinc/43/07/90/818430790.db2.gz MFFOZHONQFSTEN-QGZVFWFLSA-N 1 2 392.499 4.166 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)c(OC)c1 ZINC000016377164 818430797 /nfs/dbraw/zinc/43/07/97/818430797.db2.gz MFFOZHONQFSTEN-QGZVFWFLSA-N 1 2 392.499 4.166 20 0 GIADLO CN(Cc1cccs1)C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000016384452 818433291 /nfs/dbraw/zinc/43/32/91/818433291.db2.gz COGTYSCSUWLKFE-IBGZPJMESA-N 1 2 388.583 4.477 20 0 GIADLO CN(Cc1cccs1)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000016384452 818433294 /nfs/dbraw/zinc/43/32/94/818433294.db2.gz COGTYSCSUWLKFE-IBGZPJMESA-N 1 2 388.583 4.477 20 0 GIADLO CCN1C[C@H](C[N@H+](C)Cc2nnc(-c3ccccc3Cl)o2)Oc2ccccc21 ZINC000016423533 818441265 /nfs/dbraw/zinc/44/12/65/818441265.db2.gz IKSBOCCPVMPNPC-HNNXBMFYSA-N 1 2 398.894 4.109 20 0 GIADLO CCN1C[C@H](C[N@@H+](C)Cc2nnc(-c3ccccc3Cl)o2)Oc2ccccc21 ZINC000016423533 818441272 /nfs/dbraw/zinc/44/12/72/818441272.db2.gz IKSBOCCPVMPNPC-HNNXBMFYSA-N 1 2 398.894 4.109 20 0 GIADLO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000016476408 818447753 /nfs/dbraw/zinc/44/77/53/818447753.db2.gz OSYYRWPGXACPDG-QGZVFWFLSA-N 1 2 396.487 4.081 20 0 GIADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000016588748 818456108 /nfs/dbraw/zinc/45/61/08/818456108.db2.gz DFWUIVIYWMBNRL-RDTXWAMCSA-N 1 2 383.492 4.450 20 0 GIADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000016588748 818456113 /nfs/dbraw/zinc/45/61/13/818456113.db2.gz DFWUIVIYWMBNRL-RDTXWAMCSA-N 1 2 383.492 4.450 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)Nc3ccc(C)c(C)c3)CCCC2)no1 ZINC000122326607 823338566 /nfs/dbraw/zinc/33/85/66/823338566.db2.gz LYPOMFKFGIACOR-UHFFFAOYSA-N 1 2 385.512 4.119 20 0 GIADLO O=C(N[C@H](c1ccccc1)c1ccc2ccccc2c1)N1CCn2c[nH+]cc2C1 ZINC000460282482 823339009 /nfs/dbraw/zinc/33/90/09/823339009.db2.gz QDSCQUHRLFETOS-HSZRJFAPSA-N 1 2 382.467 4.351 20 0 GIADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1cnn(-c2ccccc2)c1 ZINC000572437900 823339100 /nfs/dbraw/zinc/33/91/00/823339100.db2.gz WYZWUNQGKRHDIY-UHFFFAOYSA-N 1 2 383.455 4.324 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccccc1C(F)(F)F ZINC000122343130 823341324 /nfs/dbraw/zinc/34/13/24/823341324.db2.gz QTKMKNQTOHABQY-UHFFFAOYSA-N 1 2 378.398 4.412 20 0 GIADLO COCc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)sc2cccc(F)c21 ZINC000017357943 818512138 /nfs/dbraw/zinc/51/21/38/818512138.db2.gz VSFFZNJKZZRXGV-UHFFFAOYSA-N 1 2 398.503 4.145 20 0 GIADLO FC(F)(F)c1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000057874935 823343567 /nfs/dbraw/zinc/34/35/67/823343567.db2.gz MNCTYXLKEYYJNV-UHFFFAOYSA-N 1 2 389.343 4.441 20 0 GIADLO Cc1cc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000020667843 818628506 /nfs/dbraw/zinc/62/85/06/818628506.db2.gz CLBSXEWFTJRLNZ-UHFFFAOYSA-N 1 2 399.848 4.302 20 0 GIADLO CCCOc1ccc(-c2nc(C(=O)Nc3cccc4[nH+]ccn43)cs2)cc1 ZINC000460340990 823358319 /nfs/dbraw/zinc/35/83/19/823358319.db2.gz LURJHPWECABJFY-UHFFFAOYSA-N 1 2 378.457 4.499 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)Nc1cc(Br)c(F)cc1F ZINC000189112889 823359460 /nfs/dbraw/zinc/35/94/60/823359460.db2.gz NKKGQXDXPNABIT-UHFFFAOYSA-N 1 2 399.239 4.136 20 0 GIADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000460347935 823360306 /nfs/dbraw/zinc/36/03/06/823360306.db2.gz DYDVKIOHYBMTTD-DYESRHJHSA-N 1 2 386.561 4.236 20 0 GIADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000460347935 823360312 /nfs/dbraw/zinc/36/03/12/823360312.db2.gz DYDVKIOHYBMTTD-DYESRHJHSA-N 1 2 386.561 4.236 20 0 GIADLO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[NH+](Cc2cccs2)CC1 ZINC000021929550 818756084 /nfs/dbraw/zinc/75/60/84/818756084.db2.gz SNJNXXJGBVXSSD-UHFFFAOYSA-N 1 2 379.529 4.066 20 0 GIADLO O=C(c1cc(Cl)ccc1O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000021935533 818757219 /nfs/dbraw/zinc/75/72/19/818757219.db2.gz HUWZTVNDUKRPCG-UHFFFAOYSA-N 1 2 380.875 4.157 20 0 GIADLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cn1c2ccccc2n(C(F)F)c1=S ZINC000021967522 818760267 /nfs/dbraw/zinc/76/02/67/818760267.db2.gz MZEAJJRJJVZQLK-UHFFFAOYSA-N 1 2 391.443 4.428 20 0 GIADLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cn1c2ccccc2n(C(F)F)c1=S ZINC000021967522 818760274 /nfs/dbraw/zinc/76/02/74/818760274.db2.gz MZEAJJRJJVZQLK-UHFFFAOYSA-N 1 2 391.443 4.428 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000122488988 823361951 /nfs/dbraw/zinc/36/19/51/823361951.db2.gz QMWLMBRODCWOLO-LJQANCHMSA-N 1 2 384.911 4.251 20 0 GIADLO CC[NH+](CC)[C@H](CN[C@H](c1nc[nH]n1)c1ccccc1)c1ccccc1Cl ZINC000572639478 823373209 /nfs/dbraw/zinc/37/32/09/823373209.db2.gz JKISLFGSMNJKBL-UXHICEINSA-N 1 2 383.927 4.220 20 0 GIADLO O=C(Nc1cccc2ccccc21)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000022892911 818872919 /nfs/dbraw/zinc/87/29/19/818872919.db2.gz JVPPZSRHYQHTGM-UHFFFAOYSA-N 1 2 375.472 4.068 20 0 GIADLO Cc1noc([C@H](C)Sc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000022988264 818885015 /nfs/dbraw/zinc/88/50/15/818885015.db2.gz DZROJRYXKYXCBB-CABCVRRESA-N 1 2 398.536 4.359 20 0 GIADLO CCCOc1ccc(Br)cc1C[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000572657504 823377128 /nfs/dbraw/zinc/37/71/28/823377128.db2.gz MXHVWYQTHRNYKN-UHFFFAOYSA-N 1 2 388.309 4.484 20 0 GIADLO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC000177133776 823379463 /nfs/dbraw/zinc/37/94/63/823379463.db2.gz YUJCWGAYUJXNDN-UHFFFAOYSA-N 1 2 382.266 4.102 20 0 GIADLO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC000177133776 823379468 /nfs/dbraw/zinc/37/94/68/823379468.db2.gz YUJCWGAYUJXNDN-UHFFFAOYSA-N 1 2 382.266 4.102 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CSc2ccc(Br)cc21 ZINC000572768298 823395460 /nfs/dbraw/zinc/39/54/60/823395460.db2.gz CYDCSWIKCCGXAT-CYBMUJFWSA-N 1 2 389.278 4.065 20 0 GIADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000189348505 823398734 /nfs/dbraw/zinc/39/87/34/823398734.db2.gz WGSLJHRNAVSKGZ-OAHLLOKOSA-N 1 2 384.501 4.172 20 0 GIADLO COc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(OCCC(C)C)c1 ZINC000189340573 823396899 /nfs/dbraw/zinc/39/68/99/823396899.db2.gz WBTGPAQBICXNFO-PXNSSMCTSA-N 1 2 385.508 4.040 20 0 GIADLO Cc1sc(NC(=O)CCCn2cc[nH+]c2)nc1-c1ccc(OC(F)F)cc1 ZINC000122708904 823398151 /nfs/dbraw/zinc/39/81/51/823398151.db2.gz NDSZGHMPLFYBCZ-UHFFFAOYSA-N 1 2 392.431 4.335 20 0 GIADLO NC(=[NH+]OCc1ccccc1[N+](=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000058499323 823400436 /nfs/dbraw/zinc/40/04/36/823400436.db2.gz JTOUAJGQDKORNG-UHFFFAOYSA-N 1 2 377.400 4.011 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1C ZINC000058501878 823401086 /nfs/dbraw/zinc/40/10/86/823401086.db2.gz DDCFXZUVNVDDAY-UHFFFAOYSA-N 1 2 396.512 4.195 20 0 GIADLO C[C@H](NC(=O)N[C@H]1CCCc2c(O)cccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000189363147 823401110 /nfs/dbraw/zinc/40/11/10/823401110.db2.gz OYHIYTRKEKUVBO-YWZLYKJASA-N 1 2 376.460 4.016 20 0 GIADLO COc1ccccc1-c1noc(C[N@@H+](C)Cc2ccc(SC)c(OC)c2)n1 ZINC000058528151 823404361 /nfs/dbraw/zinc/40/43/61/823404361.db2.gz SJWGXJLZJIGRRW-UHFFFAOYSA-N 1 2 385.489 4.108 20 0 GIADLO COc1ccccc1-c1noc(C[N@H+](C)Cc2ccc(SC)c(OC)c2)n1 ZINC000058528151 823404364 /nfs/dbraw/zinc/40/43/64/823404364.db2.gz SJWGXJLZJIGRRW-UHFFFAOYSA-N 1 2 385.489 4.108 20 0 GIADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)c1ccccc1 ZINC000189381261 823404908 /nfs/dbraw/zinc/40/49/08/823404908.db2.gz NJWNFSJMDIYZJD-HXUWFJFHSA-N 1 2 381.451 4.184 20 0 GIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC3(CCC3)[C@H]2C2CC2)c(C)c1 ZINC000572900285 823416739 /nfs/dbraw/zinc/41/67/39/823416739.db2.gz MIGHAXIKPFHHBC-LEWJYISDSA-N 1 2 378.520 4.215 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000122816094 823417322 /nfs/dbraw/zinc/41/73/22/823417322.db2.gz UBNJLRAMWWNRJG-DYESRHJHSA-N 1 2 393.462 4.325 20 0 GIADLO CCOc1ccc(CC(=O)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000460534692 823422957 /nfs/dbraw/zinc/42/29/57/823422957.db2.gz SCMUAZGZLVMRJJ-KRWDZBQOSA-N 1 2 386.923 4.187 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1C(=O)c1ccccc1 ZINC000024749328 819872676 /nfs/dbraw/zinc/87/26/76/819872676.db2.gz OKGAHSRZWHDRBV-UHFFFAOYSA-N 1 2 395.462 4.092 20 0 GIADLO Cc1ccc(-c2nc(C(=O)OCCOCCCc3cccc(C)[nH+]3)cs2)o1 ZINC000122929564 823435417 /nfs/dbraw/zinc/43/54/17/823435417.db2.gz WJMJWPCIBFJKMK-UHFFFAOYSA-N 1 2 386.473 4.221 20 0 GIADLO CC(C)COc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410256655 823436439 /nfs/dbraw/zinc/43/64/39/823436439.db2.gz NOVBAMFGEPNOQZ-LJQANCHMSA-N 1 2 381.520 4.274 20 0 GIADLO Cc1cn2cc(NC(=O)NC[C@H](Cc3ccccc3)C(F)(F)F)ccc2[nH+]1 ZINC000573048046 823439910 /nfs/dbraw/zinc/43/99/10/823439910.db2.gz MGQRVRRMJGOJRY-HNNXBMFYSA-N 1 2 376.382 4.185 20 0 GIADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253160 819950527 /nfs/dbraw/zinc/95/05/27/819950527.db2.gz MKMSJCGSOUOKTJ-NSHDSACASA-N 1 2 388.336 4.322 20 0 GIADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253160 819950532 /nfs/dbraw/zinc/95/05/32/819950532.db2.gz MKMSJCGSOUOKTJ-NSHDSACASA-N 1 2 388.336 4.322 20 0 GIADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410267598 823441360 /nfs/dbraw/zinc/44/13/60/823441360.db2.gz RQIDUNXURALTNF-FUHWJXTLSA-N 1 2 385.939 4.458 20 0 GIADLO C[NH+](C)[C@@H](CNC(=O)c1ccccc1C(=O)c1ccccc1)c1ccsc1 ZINC000025331929 819964508 /nfs/dbraw/zinc/96/45/08/819964508.db2.gz JXAHIFWASPZCRV-FQEVSTJZSA-N 1 2 378.497 4.012 20 0 GIADLO CC[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(OC)cc1 ZINC000410268602 823442065 /nfs/dbraw/zinc/44/20/65/823442065.db2.gz USVUNRXZPMFYLC-NQIIRXRSSA-N 1 2 381.520 4.128 20 0 GIADLO COc1cnccc1[C@@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000189551854 823442342 /nfs/dbraw/zinc/44/23/42/823442342.db2.gz FYGQJUCQARVPBB-GFCCVEGCSA-N 1 2 387.281 4.094 20 0 GIADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)Nc1ccccc1Br ZINC000025416826 819977896 /nfs/dbraw/zinc/97/78/96/819977896.db2.gz JEDCOZMMTXBUQD-HXUWFJFHSA-N 1 2 396.288 4.162 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(Cl)ccc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000123001277 823446392 /nfs/dbraw/zinc/44/63/92/823446392.db2.gz SLNRBSCADPCFHD-NHYWBVRUSA-N 1 2 382.689 4.022 20 0 GIADLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1OCC ZINC000025443848 819981637 /nfs/dbraw/zinc/98/16/37/819981637.db2.gz MSMZQDONROOETJ-IBGZPJMESA-N 1 2 386.467 4.399 20 0 GIADLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1OCC ZINC000025443848 819981641 /nfs/dbraw/zinc/98/16/41/819981641.db2.gz MSMZQDONROOETJ-IBGZPJMESA-N 1 2 386.467 4.399 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(=S)n(C[N@H+](C)[C@@H]3CCC[C@@H](C)C3)c2c1 ZINC000025484814 819990081 /nfs/dbraw/zinc/99/00/81/819990081.db2.gz HUTJBZZUPYSSDE-ZIAGYGMSSA-N 1 2 382.551 4.225 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](C)[C@@H]3CCC[C@@H](C)C3)c2c1 ZINC000025484814 819990086 /nfs/dbraw/zinc/99/00/86/819990086.db2.gz HUTJBZZUPYSSDE-ZIAGYGMSSA-N 1 2 382.551 4.225 20 0 GIADLO CCOCCOCC[N@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000190255131 823556646 /nfs/dbraw/zinc/55/66/46/823556646.db2.gz MMERVWRZZAZRJK-UHFFFAOYSA-N 1 2 399.354 4.058 20 0 GIADLO CCOCCOCC[N@@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000190255131 823556650 /nfs/dbraw/zinc/55/66/50/823556650.db2.gz MMERVWRZZAZRJK-UHFFFAOYSA-N 1 2 399.354 4.058 20 0 GIADLO CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410276637 823445099 /nfs/dbraw/zinc/44/50/99/823445099.db2.gz RCYBGDVAZVZGBC-XLIONFOSSA-N 1 2 383.561 4.496 20 0 GIADLO COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000573106149 823448410 /nfs/dbraw/zinc/44/84/10/823448410.db2.gz IOWKSJUCYCXWCQ-JJEOQYAHSA-N 1 2 389.499 4.354 20 0 GIADLO COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000573106149 823448414 /nfs/dbraw/zinc/44/84/14/823448414.db2.gz IOWKSJUCYCXWCQ-JJEOQYAHSA-N 1 2 389.499 4.354 20 0 GIADLO Cc1ccc2nc(C)c(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)cc2c1 ZINC000026217108 820070598 /nfs/dbraw/zinc/07/05/98/820070598.db2.gz VNQWFXDFPOKGFP-UHFFFAOYSA-N 1 2 384.483 4.069 20 0 GIADLO CCOc1ccccc1N1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000026227676 820072096 /nfs/dbraw/zinc/07/20/96/820072096.db2.gz UFCFKSAPHMFWTH-QGZVFWFLSA-N 1 2 378.476 4.019 20 0 GIADLO Cc1nc(Cc2nn(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)c(=S)o2)cs1 ZINC000026235698 820073206 /nfs/dbraw/zinc/07/32/06/820073206.db2.gz KHHDKPXWMIXAPP-QGZVFWFLSA-N 1 2 386.546 4.226 20 0 GIADLO Cc1nc(Cc2nn(C[N@H+]3CCC[C@@H]3Cc3ccccc3)c(=S)o2)cs1 ZINC000026235698 820073215 /nfs/dbraw/zinc/07/32/15/820073215.db2.gz KHHDKPXWMIXAPP-QGZVFWFLSA-N 1 2 386.546 4.226 20 0 GIADLO Clc1ccc(O[C@@H]2CC[N@H+](Cc3nnc(-c4ccco4)o3)C2)cc1Cl ZINC000177384414 823450492 /nfs/dbraw/zinc/45/04/92/823450492.db2.gz MWMHTZLFSQWKBR-GFCCVEGCSA-N 1 2 380.231 4.290 20 0 GIADLO Clc1ccc(O[C@@H]2CC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)cc1Cl ZINC000177384414 823450496 /nfs/dbraw/zinc/45/04/96/823450496.db2.gz MWMHTZLFSQWKBR-GFCCVEGCSA-N 1 2 380.231 4.290 20 0 GIADLO CCOc1cc(Cl)ccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410289124 823450668 /nfs/dbraw/zinc/45/06/68/823450668.db2.gz OOVKQDDZOCMZIB-HNNXBMFYSA-N 1 2 387.911 4.291 20 0 GIADLO O=C(C[C@@H]1CCCc2ccccc21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292302 823452101 /nfs/dbraw/zinc/45/21/01/823452101.db2.gz SOXMKJWVRFRYQZ-VQTJNVASSA-N 1 2 377.532 4.436 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OC(F)F ZINC000026452459 820098854 /nfs/dbraw/zinc/09/88/54/820098854.db2.gz SPZGIIGXOUTBRH-UHFFFAOYSA-N 1 2 392.446 4.292 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OC(F)F ZINC000026452459 820098864 /nfs/dbraw/zinc/09/88/64/820098864.db2.gz SPZGIIGXOUTBRH-UHFFFAOYSA-N 1 2 392.446 4.292 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)ccc1OC(F)F ZINC000026454201 820099979 /nfs/dbraw/zinc/09/99/79/820099979.db2.gz UGTWXZUYAXXFLQ-UHFFFAOYSA-N 1 2 398.837 4.411 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)ccc1OC(F)F ZINC000026454201 820099989 /nfs/dbraw/zinc/09/99/89/820099989.db2.gz UGTWXZUYAXXFLQ-UHFFFAOYSA-N 1 2 398.837 4.411 20 0 GIADLO O=C(N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1(c2ccccc2)CCCC1 ZINC000410294133 823452781 /nfs/dbraw/zinc/45/27/81/823452781.db2.gz YFSNXEOEOYMNPM-LJQANCHMSA-N 1 2 377.532 4.437 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)c(C)c1 ZINC000026639103 820126381 /nfs/dbraw/zinc/12/63/81/820126381.db2.gz RKPRBIDJQINLEX-LRXVAGHRSA-N 1 2 384.564 4.139 20 0 GIADLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000177411201 823455920 /nfs/dbraw/zinc/45/59/20/823455920.db2.gz UYIWJDUWJZFXHZ-FZKQIMNGSA-N 1 2 385.851 4.030 20 0 GIADLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000177416052 823457073 /nfs/dbraw/zinc/45/70/73/823457073.db2.gz DYIQOSFZUORJTQ-UGSOOPFHSA-N 1 2 385.851 4.030 20 0 GIADLO Cc1ccc(OCCCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000410304519 823457411 /nfs/dbraw/zinc/45/74/11/823457411.db2.gz GUKFZKRSRKDHAE-HXUWFJFHSA-N 1 2 395.547 4.401 20 0 GIADLO C[C@@H](Oc1ccccc1Cl)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410311468 823459620 /nfs/dbraw/zinc/45/96/20/823459620.db2.gz WXRDCQCPHDFVME-MRXNPFEDSA-N 1 2 387.911 4.199 20 0 GIADLO CCc1cnccc1CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000573176877 823461051 /nfs/dbraw/zinc/46/10/51/823461051.db2.gz NHELHTWZHZDPIG-UHFFFAOYSA-N 1 2 375.476 4.166 20 0 GIADLO Cc1cccc(OCCCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000410319758 823462052 /nfs/dbraw/zinc/46/20/52/823462052.db2.gz WBPHKSFXBYRFJX-UHFFFAOYSA-N 1 2 381.520 4.246 20 0 GIADLO O=C(Nc1cccc(COCC2CC2)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058867024 823464372 /nfs/dbraw/zinc/46/43/72/823464372.db2.gz AMLSJAYDUFBHOG-JOCHJYFZSA-N 1 2 396.556 4.342 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1csc(-c2ccc(F)cc2)n1 ZINC000027544884 820258266 /nfs/dbraw/zinc/25/82/66/820258266.db2.gz AYOMFDRKOBCPAL-UHFFFAOYSA-N 1 2 392.459 4.124 20 0 GIADLO C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000573252755 823471140 /nfs/dbraw/zinc/47/11/40/823471140.db2.gz HBRIGBONVYIIPO-NVXWUHKLSA-N 1 2 379.435 4.254 20 0 GIADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](Cc2cc(OC)ccc2OC)C2CC2)cc1 ZINC000027603894 820266323 /nfs/dbraw/zinc/26/63/23/820266323.db2.gz VRWCOOLZOOHNQX-QGZVFWFLSA-N 1 2 396.531 4.108 20 0 GIADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](Cc2cc(OC)ccc2OC)C2CC2)cc1 ZINC000027603894 820266329 /nfs/dbraw/zinc/26/63/29/820266329.db2.gz VRWCOOLZOOHNQX-QGZVFWFLSA-N 1 2 396.531 4.108 20 0 GIADLO C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000573252757 823471204 /nfs/dbraw/zinc/47/12/04/823471204.db2.gz HBRIGBONVYIIPO-WBVHZDCISA-N 1 2 379.435 4.254 20 0 GIADLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000027737350 820281475 /nfs/dbraw/zinc/28/14/75/820281475.db2.gz ZFRKNRUGBNBCFB-LBPRGKRZSA-N 1 2 398.837 4.409 20 0 GIADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000027737350 820281485 /nfs/dbraw/zinc/28/14/85/820281485.db2.gz ZFRKNRUGBNBCFB-LBPRGKRZSA-N 1 2 398.837 4.409 20 0 GIADLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000027741063 820281544 /nfs/dbraw/zinc/28/15/44/820281544.db2.gz IZSAHZFDNJQQRL-OAHLLOKOSA-N 1 2 399.922 4.009 20 0 GIADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000027741063 820281552 /nfs/dbraw/zinc/28/15/52/820281552.db2.gz IZSAHZFDNJQQRL-OAHLLOKOSA-N 1 2 399.922 4.009 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000123156132 823471314 /nfs/dbraw/zinc/47/13/14/823471314.db2.gz GVHVKIIFERELGD-MJGOQNOKSA-N 1 2 377.410 4.369 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000123156132 823471319 /nfs/dbraw/zinc/47/13/19/823471319.db2.gz GVHVKIIFERELGD-MJGOQNOKSA-N 1 2 377.410 4.369 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@H]1CC)c1nc(C(F)(F)F)cs1 ZINC000177464281 823468474 /nfs/dbraw/zinc/46/84/74/823468474.db2.gz HYBKNQSWBYDMTA-XQQFMLRXSA-N 1 2 377.476 4.382 20 0 GIADLO Cc1oc(C)c(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1C ZINC000028329253 820325116 /nfs/dbraw/zinc/32/51/16/820325116.db2.gz CFMWBBQHCMSYJI-UHFFFAOYSA-N 1 2 380.410 4.182 20 0 GIADLO Cc1cccc(CCCOCCOC(=O)c2ccc(F)cc2Br)[nH+]1 ZINC000123197470 823477218 /nfs/dbraw/zinc/47/72/18/823477218.db2.gz LVQXOZOBSWDLFW-UHFFFAOYSA-N 1 2 396.256 4.098 20 0 GIADLO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)Cc1cccc(F)c1 ZINC000028932502 820375305 /nfs/dbraw/zinc/37/53/05/820375305.db2.gz ZQKDVAKDSNHSJU-UHFFFAOYSA-N 1 2 385.664 4.312 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)Cc1cccc(F)c1 ZINC000028932502 820375313 /nfs/dbraw/zinc/37/53/13/820375313.db2.gz ZQKDVAKDSNHSJU-UHFFFAOYSA-N 1 2 385.664 4.312 20 0 GIADLO Cc1cccc(NC(=O)C[NH+](CC(=O)Nc2cccc(C)c2)C2CCCC2)c1 ZINC000028974290 820378614 /nfs/dbraw/zinc/37/86/14/820378614.db2.gz AFTRCICKFCCCJZ-UHFFFAOYSA-N 1 2 379.504 4.125 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(SC)cc2)c1 ZINC000029115004 820394518 /nfs/dbraw/zinc/39/45/18/820394518.db2.gz GOTMOMJILVUEAH-LJQANCHMSA-N 1 2 386.517 4.201 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(SC)cc2)c1 ZINC000029115004 820394527 /nfs/dbraw/zinc/39/45/27/820394527.db2.gz GOTMOMJILVUEAH-LJQANCHMSA-N 1 2 386.517 4.201 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)COc3ccc(F)c(Cl)c3)n2)CC1 ZINC000029258458 820421767 /nfs/dbraw/zinc/42/17/67/820421767.db2.gz MSRDWKKBWOPWNX-UHFFFAOYSA-N 1 2 397.903 4.185 20 0 GIADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000573327808 823480381 /nfs/dbraw/zinc/48/03/81/823480381.db2.gz WANRGNKTQSKWNY-AYOQOUSVSA-N 1 2 391.437 4.259 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@@H+](CC3CC3)C(C)C)nc2N2CCCC2)cc1 ZINC000029542125 820473362 /nfs/dbraw/zinc/47/33/62/820473362.db2.gz BXAIXMKRZKONRR-UHFFFAOYSA-N 1 2 385.581 4.390 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@H+](CC3CC3)C(C)C)nc2N2CCCC2)cc1 ZINC000029542125 820473364 /nfs/dbraw/zinc/47/33/64/820473364.db2.gz BXAIXMKRZKONRR-UHFFFAOYSA-N 1 2 385.581 4.390 20 0 GIADLO Cc1ccccc1NC(=O)[C@@H](C)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000029686319 820498031 /nfs/dbraw/zinc/49/80/31/820498031.db2.gz RKXQBNIVUDOYLS-ZWKOTPCHSA-N 1 2 385.939 4.354 20 0 GIADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000029688593 820498080 /nfs/dbraw/zinc/49/80/80/820498080.db2.gz IEZITMZLTIGDMC-CQSZACIVSA-N 1 2 388.924 4.330 20 0 GIADLO Cc1ccc(C[C@H](C)N(C)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000123277502 823489450 /nfs/dbraw/zinc/48/94/50/823489450.db2.gz WABVSEKOHHTWIM-IBGZPJMESA-N 1 2 380.536 4.153 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(N2CCCCCC2)nc1 ZINC000029781760 820517276 /nfs/dbraw/zinc/51/72/76/820517276.db2.gz UWDGWDYUKLFIGV-UHFFFAOYSA-N 1 2 399.564 4.157 20 0 GIADLO Cc1ccc2c(C[N@H+](C)CC(=O)Nc3cccc(Cl)c3)cc(=O)oc2c1C ZINC000029861245 820534011 /nfs/dbraw/zinc/53/40/11/820534011.db2.gz MYTFVUFJXUVHAA-UHFFFAOYSA-N 1 2 384.863 4.134 20 0 GIADLO Cc1ccc2c(C[N@@H+](C)CC(=O)Nc3cccc(Cl)c3)cc(=O)oc2c1C ZINC000029861245 820534017 /nfs/dbraw/zinc/53/40/17/820534017.db2.gz MYTFVUFJXUVHAA-UHFFFAOYSA-N 1 2 384.863 4.134 20 0 GIADLO CCc1noc(C)c1NC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189748922 823487299 /nfs/dbraw/zinc/48/72/99/823487299.db2.gz KISDDJWYBZBXAX-SJLPKXTDSA-N 1 2 394.878 4.295 20 0 GIADLO CCc1noc(C)c1NC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189748922 823487301 /nfs/dbraw/zinc/48/73/01/823487301.db2.gz KISDDJWYBZBXAX-SJLPKXTDSA-N 1 2 394.878 4.295 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(c2ccc(Br)cc2)CC1 ZINC000029910123 820545898 /nfs/dbraw/zinc/54/58/98/820545898.db2.gz GZKGOIRGAYZTFX-UHFFFAOYSA-N 1 2 382.261 4.305 20 0 GIADLO Cc1noc(CSc2ccccc2C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000029909347 820546114 /nfs/dbraw/zinc/54/61/14/820546114.db2.gz FUTFEJFXTUCIIT-UHFFFAOYSA-N 1 2 391.456 4.108 20 0 GIADLO CCCCc1oc2ccccc2c1C[N@H+](C)Cc1csc(CC(=O)NC)n1 ZINC000177548532 823488141 /nfs/dbraw/zinc/48/81/41/823488141.db2.gz RRWGIVLZPKCXHX-UHFFFAOYSA-N 1 2 385.533 4.152 20 0 GIADLO CCCCc1oc2ccccc2c1C[N@@H+](C)Cc1csc(CC(=O)NC)n1 ZINC000177548532 823488146 /nfs/dbraw/zinc/48/81/46/823488146.db2.gz RRWGIVLZPKCXHX-UHFFFAOYSA-N 1 2 385.533 4.152 20 0 GIADLO CCCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1OCCC ZINC000030012430 820568812 /nfs/dbraw/zinc/56/88/12/820568812.db2.gz SXSUYUNCGXSAEU-UHFFFAOYSA-N 1 2 397.519 4.189 20 0 GIADLO O=C(CCC(=O)c1ccc2ccccc2c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030218586 820588974 /nfs/dbraw/zinc/58/89/74/820588974.db2.gz PKYMDGVSBMMSOZ-UHFFFAOYSA-N 1 2 397.478 4.364 20 0 GIADLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4ncnn4-c4ccccc4)CC3)c2c1 ZINC000410418208 823491335 /nfs/dbraw/zinc/49/13/35/823491335.db2.gz CJRFOATXLPEZOD-UHFFFAOYSA-N 1 2 385.471 4.047 20 0 GIADLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4ncnn4-c4ccccc4)CC3)c2c1 ZINC000410418208 823491338 /nfs/dbraw/zinc/49/13/38/823491338.db2.gz CJRFOATXLPEZOD-UHFFFAOYSA-N 1 2 385.471 4.047 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000030584657 820645893 /nfs/dbraw/zinc/64/58/93/820645893.db2.gz HKEDGATUKPVZOS-UHFFFAOYSA-N 1 2 392.846 4.170 20 0 GIADLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)cc1 ZINC000059407619 823495540 /nfs/dbraw/zinc/49/55/40/823495540.db2.gz JJRYRBCQYYDFLA-GOSISDBHSA-N 1 2 389.293 4.233 20 0 GIADLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)cc1 ZINC000059407619 823495544 /nfs/dbraw/zinc/49/55/44/823495544.db2.gz JJRYRBCQYYDFLA-GOSISDBHSA-N 1 2 389.293 4.233 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2)o1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030656893 820659842 /nfs/dbraw/zinc/65/98/42/820659842.db2.gz IDOFXGNQEDJUFJ-UHFFFAOYSA-N 1 2 385.467 4.440 20 0 GIADLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cccc(C(=O)NCc3ccco3)c2)cs1 ZINC000189807859 823498298 /nfs/dbraw/zinc/49/82/98/823498298.db2.gz GLKYOAUFRDCKLA-HXUWFJFHSA-N 1 2 381.501 4.312 20 0 GIADLO Cc1nc([C@H]2CCC[N@H+]2Cc2cccc(C(=O)NCc3ccco3)c2)cs1 ZINC000189807859 823498303 /nfs/dbraw/zinc/49/83/03/823498303.db2.gz GLKYOAUFRDCKLA-HXUWFJFHSA-N 1 2 381.501 4.312 20 0 GIADLO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)o1)c1ccc(Cl)cc1 ZINC000030974056 820713883 /nfs/dbraw/zinc/71/38/83/820713883.db2.gz OJZHKBZYTHBVFL-RYUDHWBXSA-N 1 2 399.716 4.393 20 0 GIADLO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)o1)c1ccc(Cl)cc1 ZINC000030974056 820713888 /nfs/dbraw/zinc/71/38/88/820713888.db2.gz OJZHKBZYTHBVFL-RYUDHWBXSA-N 1 2 399.716 4.393 20 0 GIADLO CC(C)c1ccc(OCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000060060529 823506216 /nfs/dbraw/zinc/50/62/16/823506216.db2.gz RJUDARJTLRAKCM-UHFFFAOYSA-N 1 2 379.460 4.103 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000031173319 820758937 /nfs/dbraw/zinc/75/89/37/820758937.db2.gz QSRNARPGAQJWRW-CYBMUJFWSA-N 1 2 395.286 4.094 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000031173319 820758943 /nfs/dbraw/zinc/75/89/43/820758943.db2.gz QSRNARPGAQJWRW-CYBMUJFWSA-N 1 2 395.286 4.094 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCCOc3cccc(F)c3)n2)C1 ZINC000059877461 823501020 /nfs/dbraw/zinc/50/10/20/823501020.db2.gz RSYQMTQCIOAHNF-OAHLLOKOSA-N 1 2 391.512 4.312 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCOc3cccc(F)c3)n2)C1 ZINC000059877461 823501022 /nfs/dbraw/zinc/50/10/22/823501022.db2.gz RSYQMTQCIOAHNF-OAHLLOKOSA-N 1 2 391.512 4.312 20 0 GIADLO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000031330999 820794131 /nfs/dbraw/zinc/79/41/31/820794131.db2.gz AJLYFTDOBPNZPT-UHFFFAOYSA-N 1 2 375.350 4.043 20 0 GIADLO O=C(C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1F ZINC000059959087 823503634 /nfs/dbraw/zinc/50/36/34/823503634.db2.gz PHEDVJXZHVMOKT-KRWDZBQOSA-N 1 2 376.859 4.099 20 0 GIADLO O=C(C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1F ZINC000059959087 823503639 /nfs/dbraw/zinc/50/36/39/823503639.db2.gz PHEDVJXZHVMOKT-KRWDZBQOSA-N 1 2 376.859 4.099 20 0 GIADLO COC(=O)C1([NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)CCC(C)CC1 ZINC000411376132 823567310 /nfs/dbraw/zinc/56/73/10/823567310.db2.gz SVPVSEUYNVBBMY-UHFFFAOYSA-N 1 2 387.307 4.034 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1ccccc1 ZINC000031561430 820825762 /nfs/dbraw/zinc/82/57/62/820825762.db2.gz NYBYUCRIVFINLS-UHFFFAOYSA-N 1 2 378.476 4.406 20 0 GIADLO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCS[C@@H](C(C)C)C2)cs1 ZINC000177658261 823509031 /nfs/dbraw/zinc/50/90/31/823509031.db2.gz PQJPABABJHAWEY-GOSISDBHSA-N 1 2 389.590 4.206 20 0 GIADLO Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCS[C@@H](C(C)C)C2)cs1 ZINC000177658261 823509037 /nfs/dbraw/zinc/50/90/37/823509037.db2.gz PQJPABABJHAWEY-GOSISDBHSA-N 1 2 389.590 4.206 20 0 GIADLO CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1F ZINC000460776724 823509322 /nfs/dbraw/zinc/50/93/22/823509322.db2.gz KCPSRHKEPLJZMW-UHFFFAOYSA-N 1 2 380.423 4.248 20 0 GIADLO Cn1cc(Cl)cc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031892883 820871037 /nfs/dbraw/zinc/87/10/37/820871037.db2.gz HZUAJGCFIKCAHV-INIZCTEOSA-N 1 2 384.282 4.038 20 0 GIADLO O=C(CCc1ccsc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031894660 820871460 /nfs/dbraw/zinc/87/14/60/820871460.db2.gz AIGAXNPANDGFAY-QGZVFWFLSA-N 1 2 380.916 4.427 20 0 GIADLO CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000060293366 823514328 /nfs/dbraw/zinc/51/43/28/823514328.db2.gz VJGRXHQIWOXTGN-UHFFFAOYSA-N 1 2 397.866 4.308 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000177732000 823518102 /nfs/dbraw/zinc/51/81/02/823518102.db2.gz KYTSRYRSXKXTHB-VDBVYFBLSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000177732000 823518106 /nfs/dbraw/zinc/51/81/06/823518106.db2.gz KYTSRYRSXKXTHB-VDBVYFBLSA-N 1 2 399.343 4.362 20 0 GIADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000060338982 823516945 /nfs/dbraw/zinc/51/69/45/823516945.db2.gz KVJLLJQBNILHLZ-QGZVFWFLSA-N 1 2 376.456 4.414 20 0 GIADLO CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000060375393 823521316 /nfs/dbraw/zinc/52/13/16/823521316.db2.gz HJTGPXKDJPKQMQ-SFHVURJKSA-N 1 2 381.451 4.304 20 0 GIADLO CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000060375393 823521317 /nfs/dbraw/zinc/52/13/17/823521317.db2.gz HJTGPXKDJPKQMQ-SFHVURJKSA-N 1 2 381.451 4.304 20 0 GIADLO Cc1ccc(-c2nc(C)c(C(=O)NCc3ccccc3Cn3cc[nH+]c3)s2)o1 ZINC000032938770 821020788 /nfs/dbraw/zinc/02/07/88/821020788.db2.gz MMUSWBRBFNQZAD-UHFFFAOYSA-N 1 2 392.484 4.195 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1F ZINC000060442264 823528482 /nfs/dbraw/zinc/52/84/82/823528482.db2.gz MKKTWHZPQVVONC-UHFFFAOYSA-N 1 2 381.451 4.154 20 0 GIADLO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000060483699 823533222 /nfs/dbraw/zinc/53/32/22/823533222.db2.gz DIVNJWSHBMAIOR-UHFFFAOYSA-N 1 2 384.907 4.490 20 0 GIADLO CCc1cccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000060483672 823533413 /nfs/dbraw/zinc/53/34/13/823533413.db2.gz OCSIUBVMDPCZLY-UHFFFAOYSA-N 1 2 384.907 4.436 20 0 GIADLO C[C@H](SCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000060517141 823537383 /nfs/dbraw/zinc/53/73/83/823537383.db2.gz OGRQXHISPAOLCQ-INIZCTEOSA-N 1 2 389.952 4.268 20 0 GIADLO C[C@H](c1nnc(Sc2cnc3ccccc3n2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000041873288 821241608 /nfs/dbraw/zinc/24/16/08/821241608.db2.gz FKQQFHMTVUFUIU-CYBMUJFWSA-N 1 2 394.479 4.123 20 0 GIADLO CC[C@@H]1CCC[N@H+](Cn2nc(Nc3cccc(NC(C)=O)c3)sc2=S)C1 ZINC000042095466 821264537 /nfs/dbraw/zinc/26/45/37/821264537.db2.gz RDYUTEUYNBAWAE-CQSZACIVSA-N 1 2 391.566 4.456 20 0 GIADLO CC[C@@H]1CCC[N@@H+](Cn2nc(Nc3cccc(NC(C)=O)c3)sc2=S)C1 ZINC000042095466 821264546 /nfs/dbraw/zinc/26/45/46/821264546.db2.gz RDYUTEUYNBAWAE-CQSZACIVSA-N 1 2 391.566 4.456 20 0 GIADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132476 821272061 /nfs/dbraw/zinc/27/20/61/821272061.db2.gz RJLKRXJKUPGZTD-RDJZCZTQSA-N 1 2 391.471 4.237 20 0 GIADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132476 821272065 /nfs/dbraw/zinc/27/20/65/821272065.db2.gz RJLKRXJKUPGZTD-RDJZCZTQSA-N 1 2 391.471 4.237 20 0 GIADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000042385586 821305782 /nfs/dbraw/zinc/30/57/82/821305782.db2.gz OWQLDXTUNDHHAS-LLVKDONJSA-N 1 2 385.302 4.417 20 0 GIADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000042385586 821305792 /nfs/dbraw/zinc/30/57/92/821305792.db2.gz OWQLDXTUNDHHAS-LLVKDONJSA-N 1 2 385.302 4.417 20 0 GIADLO COc1ccc([C@@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)C(C)C)cc1 ZINC000042465340 821307681 /nfs/dbraw/zinc/30/76/81/821307681.db2.gz XQEWVHZPGJKPHI-QFIPXVFZSA-N 1 2 397.544 4.398 20 0 GIADLO CC(C)OCc1c2ccccc2oc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000042636190 821317265 /nfs/dbraw/zinc/31/72/65/821317265.db2.gz SHYQMMGRNAAIIT-UHFFFAOYSA-N 1 2 393.487 4.283 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)Nc1cccc(Br)c1 ZINC000043134388 821365821 /nfs/dbraw/zinc/36/58/21/821365821.db2.gz KPSGKXIDJWUFGH-UHFFFAOYSA-N 1 2 399.292 4.058 20 0 GIADLO Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000043137359 821366768 /nfs/dbraw/zinc/36/67/68/821366768.db2.gz JEXPVOLXMHHSIV-UHFFFAOYSA-N 1 2 393.409 4.243 20 0 GIADLO Cc1cc(F)ccc1-n1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)n1 ZINC000180649498 821382675 /nfs/dbraw/zinc/38/26/75/821382675.db2.gz XNHRGPDXDQQXIG-UHFFFAOYSA-N 1 2 399.495 4.015 20 0 GIADLO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H](C)c2c(F)cccc2Cl)C1 ZINC000180667923 821388898 /nfs/dbraw/zinc/38/88/98/821388898.db2.gz XHWRLTACRMLSKV-CYBMUJFWSA-N 1 2 399.890 4.182 20 0 GIADLO COC(=O)CC[C@H]([NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000180670052 821389350 /nfs/dbraw/zinc/38/93/50/821389350.db2.gz ZILNCVPMORKYIK-YWZLYKJASA-N 1 2 396.466 4.060 20 0 GIADLO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000180671772 821390230 /nfs/dbraw/zinc/39/02/30/821390230.db2.gz FJHSANKCWVPNFP-WCQYABFASA-N 1 2 383.311 4.251 20 0 GIADLO O=C(N[C@H](CC1CCC1)c1ccccc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000180675627 821391507 /nfs/dbraw/zinc/39/15/07/821391507.db2.gz WNHQHFYYEZJRLE-OAQYLSRUSA-N 1 2 378.520 4.281 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000043448976 821407835 /nfs/dbraw/zinc/40/78/35/821407835.db2.gz YJNGJQYUGOVQQZ-UHFFFAOYSA-N 1 2 399.292 4.324 20 0 GIADLO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000180708416 821408961 /nfs/dbraw/zinc/40/89/61/821408961.db2.gz RJAFEQZLAWYTHJ-HXUWFJFHSA-N 1 2 399.487 4.011 20 0 GIADLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(C(F)(F)F)c3)c2C1 ZINC000180713824 821412866 /nfs/dbraw/zinc/41/28/66/821412866.db2.gz CLBYKLDGABGJTL-UHFFFAOYSA-N 1 2 398.450 4.371 20 0 GIADLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(C(F)(F)F)c3)c2C1 ZINC000180713824 821412870 /nfs/dbraw/zinc/41/28/70/821412870.db2.gz CLBYKLDGABGJTL-UHFFFAOYSA-N 1 2 398.450 4.371 20 0 GIADLO O=C(NCCSc1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517268 821421294 /nfs/dbraw/zinc/42/12/94/821421294.db2.gz WYITZWRWUSOWMZ-UHFFFAOYSA-N 1 2 376.551 4.043 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccccc1C(F)(F)F ZINC000043643661 821435099 /nfs/dbraw/zinc/43/50/99/821435099.db2.gz VCQIOYPEOORGFA-UHFFFAOYSA-N 1 2 388.336 4.377 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccccc1C(F)(F)F ZINC000043643661 821435103 /nfs/dbraw/zinc/43/51/03/821435103.db2.gz VCQIOYPEOORGFA-UHFFFAOYSA-N 1 2 388.336 4.377 20 0 GIADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c(C(C)(C)C)n1 ZINC000180777016 821450480 /nfs/dbraw/zinc/45/04/80/821450480.db2.gz DUDSRRRKYOZUIV-QGZVFWFLSA-N 1 2 381.442 4.310 20 0 GIADLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c(C(C)(C)C)n1 ZINC000180777016 821450485 /nfs/dbraw/zinc/45/04/85/821450485.db2.gz DUDSRRRKYOZUIV-QGZVFWFLSA-N 1 2 381.442 4.310 20 0 GIADLO CCC(CC)n1nc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000180804897 821468132 /nfs/dbraw/zinc/46/81/32/821468132.db2.gz NLDFKTUHFJMSSJ-AZUAARDMSA-N 1 2 390.478 4.006 20 0 GIADLO CCC(CC)n1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000180804897 821468137 /nfs/dbraw/zinc/46/81/37/821468137.db2.gz NLDFKTUHFJMSSJ-AZUAARDMSA-N 1 2 390.478 4.006 20 0 GIADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(-c4nc5ccccc5s4)o3)[C@@H]2C1 ZINC000180811247 821472928 /nfs/dbraw/zinc/47/29/28/821472928.db2.gz XSJNNIVBUBGBMG-OLMNPRSZSA-N 1 2 384.501 4.325 20 0 GIADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)[C@@H]2C1 ZINC000180811247 821472933 /nfs/dbraw/zinc/47/29/33/821472933.db2.gz XSJNNIVBUBGBMG-OLMNPRSZSA-N 1 2 384.501 4.325 20 0 GIADLO COc1ccc(NC(=O)c2nnc(C[NH2+][C@H](c3ccccc3)C(C)C)s2)cc1 ZINC000044000386 821500465 /nfs/dbraw/zinc/50/04/65/821500465.db2.gz LRELGEYNHRXHHV-IBGZPJMESA-N 1 2 396.516 4.286 20 0 GIADLO CC(C)([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)c1ccc(F)c(F)c1 ZINC000180878469 821508816 /nfs/dbraw/zinc/50/88/16/821508816.db2.gz VNVIWSDUBCMZAP-UHFFFAOYSA-N 1 2 398.207 4.395 20 0 GIADLO COc1cccc([C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c2ccccc2Cl)c1 ZINC000180892188 821518594 /nfs/dbraw/zinc/51/85/94/821518594.db2.gz WROCTCPDZBQVKJ-IBGZPJMESA-N 1 2 395.952 4.241 20 0 GIADLO CCCOc1cccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000044204561 821545915 /nfs/dbraw/zinc/54/59/15/821545915.db2.gz INVMSGWMNSYBDF-UHFFFAOYSA-N 1 2 378.476 4.084 20 0 GIADLO O=C(CCOc1cccc(Cl)c1Cl)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000044465027 821587899 /nfs/dbraw/zinc/58/78/99/821587899.db2.gz WLRSLQGLVAPVMT-UHFFFAOYSA-N 1 2 394.302 4.074 20 0 GIADLO C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568752 821611074 /nfs/dbraw/zinc/61/10/74/821611074.db2.gz YLPSJZOSSCAKDF-YCRPNKLZSA-N 1 2 389.455 4.053 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000044918748 821681072 /nfs/dbraw/zinc/68/10/72/821681072.db2.gz WPUKDFXYXWRYHN-MOPGFXCFSA-N 1 2 398.469 4.098 20 0 GIADLO CC(=O)c1ccc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1 ZINC000181217187 821702639 /nfs/dbraw/zinc/70/26/39/821702639.db2.gz LBUDSLQVLIQBNW-UHFFFAOYSA-N 1 2 388.309 4.123 20 0 GIADLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181275182 821728216 /nfs/dbraw/zinc/72/82/16/821728216.db2.gz CZHCIQYRCZFERV-AWEZNQCLSA-N 1 2 381.407 4.288 20 0 GIADLO COc1ccc(-c2cnc(C[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)o2)cc1 ZINC000181303431 821744480 /nfs/dbraw/zinc/74/44/80/821744480.db2.gz QAHFREDNBKPIMY-OAHLLOKOSA-N 1 2 393.443 4.158 20 0 GIADLO CCO[C@H](C)c1nc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cs1 ZINC000181317604 821755490 /nfs/dbraw/zinc/75/54/90/821755490.db2.gz ABMLBDXFBHVWMU-ZIAGYGMSSA-N 1 2 375.494 4.048 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccs2)no1)c1cccc(N2CCOC2=O)c1 ZINC000181322489 821758293 /nfs/dbraw/zinc/75/82/93/821758293.db2.gz NVSHSBFIQKAFOV-OLZOCXBDSA-N 1 2 384.461 4.167 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1cccc(N2CCOC2=O)c1 ZINC000181325486 821760116 /nfs/dbraw/zinc/76/01/16/821760116.db2.gz UEZVHQGCNGUVEY-ZDUSSCGKSA-N 1 2 398.850 4.197 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)c1ccc(N2CCCC2=O)cc1 ZINC000181339633 821770353 /nfs/dbraw/zinc/77/03/53/821770353.db2.gz XDFJAMDFQFSPBX-CVEARBPZSA-N 1 2 376.460 4.275 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1OC(F)F)c1cn(-c2ccccc2)nn1 ZINC000181340041 821770930 /nfs/dbraw/zinc/77/09/30/821770930.db2.gz OLOWNURBLLBEDN-CHWSQXEVSA-N 1 2 376.382 4.420 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181383084 821797895 /nfs/dbraw/zinc/79/78/95/821797895.db2.gz CAITWSCRIACDRR-AWEZNQCLSA-N 1 2 396.878 4.368 20 0 GIADLO Cc1c([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)nnn1-c1cccc(Cl)c1 ZINC000181460483 821836550 /nfs/dbraw/zinc/83/65/50/821836550.db2.gz MIJZCCOYHKNLFA-AWEZNQCLSA-N 1 2 398.894 4.241 20 0 GIADLO CCc1ncsc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181495788 821853423 /nfs/dbraw/zinc/85/34/23/821853423.db2.gz SKBZLXJIFOBRFE-UHFFFAOYSA-N 1 2 398.359 4.407 20 0 GIADLO Cc1cccc(-c2nnc(COC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)o2)c1 ZINC000181674991 821938363 /nfs/dbraw/zinc/93/83/63/821938363.db2.gz IVGDUBWSBIYSSP-FQEVSTJZSA-N 1 2 391.471 4.143 20 0 GIADLO Cc1cccc(-c2nnc(COC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)o2)c1 ZINC000181674991 821938370 /nfs/dbraw/zinc/93/83/70/821938370.db2.gz IVGDUBWSBIYSSP-FQEVSTJZSA-N 1 2 391.471 4.143 20 0 GIADLO COC[C@H]([NH2+]Cc1csc(-c2cccc(C(=O)OC)c2)n1)c1ccccc1 ZINC000181686845 821944415 /nfs/dbraw/zinc/94/44/15/821944415.db2.gz FUDCJYKCZXSDPG-IBGZPJMESA-N 1 2 382.485 4.074 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(C3CCC3)n2C)ccc1OCCC(C)C ZINC000181713275 821956348 /nfs/dbraw/zinc/95/63/48/821956348.db2.gz NRJODAJYITXMMK-MRXNPFEDSA-N 1 2 386.540 4.367 20 0 GIADLO Cc1[nH+]cc(CNc2nnc(Cc3ccc(Cl)cc3)o2)n1-c1ccccc1 ZINC000181714997 821957623 /nfs/dbraw/zinc/95/76/23/821957623.db2.gz SZFBWIVMUQZPLI-UHFFFAOYSA-N 1 2 379.851 4.420 20 0 GIADLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)c(F)c1)c1ccccc1 ZINC000181769987 821985645 /nfs/dbraw/zinc/98/56/45/821985645.db2.gz KOAJXGBJDCEVOA-NRFANRHFSA-N 1 2 399.487 4.494 20 0 GIADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccccc1 ZINC000181839015 822013366 /nfs/dbraw/zinc/01/33/66/822013366.db2.gz VDTGPFKGPMGONB-NRFANRHFSA-N 1 2 377.488 4.104 20 0 GIADLO COC(=O)c1ccc(Cl)c(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000181963763 822047723 /nfs/dbraw/zinc/04/77/23/822047723.db2.gz WSDVBWCUIGDGAV-YMXBGEKHSA-N 1 2 379.909 4.057 20 0 GIADLO COC(=O)c1ccc(Cl)c(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000181963763 822047733 /nfs/dbraw/zinc/04/77/33/822047733.db2.gz WSDVBWCUIGDGAV-YMXBGEKHSA-N 1 2 379.909 4.057 20 0 GIADLO CC(C)[C@@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000181989086 822055230 /nfs/dbraw/zinc/05/52/30/822055230.db2.gz SVXHGBWAZJIVBV-HSZRJFAPSA-N 1 2 393.487 4.113 20 0 GIADLO COCc1noc(C[N@H+](Cc2ccc(-c3ccccc3F)s2)C(C)C)n1 ZINC000182082502 822085850 /nfs/dbraw/zinc/08/58/50/822085850.db2.gz ADIGQZVPSGABDT-UHFFFAOYSA-N 1 2 375.469 4.494 20 0 GIADLO COCc1noc(C[N@@H+](Cc2ccc(-c3ccccc3F)s2)C(C)C)n1 ZINC000182082502 822085859 /nfs/dbraw/zinc/08/58/59/822085859.db2.gz ADIGQZVPSGABDT-UHFFFAOYSA-N 1 2 375.469 4.494 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc2c(c1)OCO2 ZINC000182276762 822183362 /nfs/dbraw/zinc/18/33/62/822183362.db2.gz SOAOPLRHUDZJLY-LLVKDONJSA-N 1 2 391.349 4.335 20 0 GIADLO COc1ccc([C@@H](CCO)[NH2+]Cc2csc(Nc3ccccc3C)n2)cc1 ZINC000182393330 822227641 /nfs/dbraw/zinc/22/76/41/822227641.db2.gz BACCDDANAUULJV-HXUWFJFHSA-N 1 2 383.517 4.417 20 0 GIADLO Cc1cc(-c2noc(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)n2)ccc1F ZINC000177986378 822269830 /nfs/dbraw/zinc/26/98/30/822269830.db2.gz MVWJIUZJTNPHAC-UHFFFAOYSA-N 1 2 385.414 4.119 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000182518151 822278855 /nfs/dbraw/zinc/27/88/55/822278855.db2.gz XFJYHOWZEGGTSK-LBPRGKRZSA-N 1 2 393.365 4.495 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000178056095 822303038 /nfs/dbraw/zinc/30/30/38/822303038.db2.gz IDIQIHQDDPDMQU-SJORKVTESA-N 1 2 388.496 4.310 20 0 GIADLO CCCn1c(C)nnc1C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182568055 822306390 /nfs/dbraw/zinc/30/63/90/822306390.db2.gz FXLPOANNLAFBKL-MRXNPFEDSA-N 1 2 377.492 4.100 20 0 GIADLO Cc1cccc([C@@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C(C)(C)C)c1 ZINC000178094862 822317215 /nfs/dbraw/zinc/31/72/15/822317215.db2.gz ZWXOTSDNTASHOK-HXUWFJFHSA-N 1 2 390.487 4.023 20 0 GIADLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000182634776 822332352 /nfs/dbraw/zinc/33/23/52/822332352.db2.gz ABSSFSKZSLCOFG-SFHVURJKSA-N 1 2 386.879 4.079 20 0 GIADLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000182634776 822332362 /nfs/dbraw/zinc/33/23/62/822332362.db2.gz ABSSFSKZSLCOFG-SFHVURJKSA-N 1 2 386.879 4.079 20 0 GIADLO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H](C)c3cc4ccccc4o3)cs2)c1C ZINC000182646646 822337576 /nfs/dbraw/zinc/33/75/76/822337576.db2.gz BLOWTBBJGLNMDF-AWEZNQCLSA-N 1 2 394.500 4.118 20 0 GIADLO Cn1ccc2ccc(NC(=O)N[C@H]3c4ccccc4CC[C@@H]3n3cc[nH+]c3)cc21 ZINC000178174270 822341813 /nfs/dbraw/zinc/34/18/13/822341813.db2.gz DSXNSJUUCOCKOW-UNMCSNQZSA-N 1 2 385.471 4.425 20 0 GIADLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000182659286 822342281 /nfs/dbraw/zinc/34/22/81/822342281.db2.gz KFOYGXLEJGQSLZ-BTYIYWSLSA-N 1 2 375.896 4.461 20 0 GIADLO CCOc1cc(Br)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178238036 822357374 /nfs/dbraw/zinc/35/73/74/822357374.db2.gz ZQQKVAAZVSDWPY-UHFFFAOYSA-N 1 2 386.249 4.286 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccccc2OCC(F)F)c1C ZINC000178241364 822357703 /nfs/dbraw/zinc/35/77/03/822357703.db2.gz KVNCJPKRVBBPKT-UHFFFAOYSA-N 1 2 379.407 4.015 20 0 GIADLO COc1cc(C)c(C[N@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)cc1OC ZINC000178258959 822360021 /nfs/dbraw/zinc/36/00/21/822360021.db2.gz BFHDHZXZPCTYTA-UHFFFAOYSA-N 1 2 385.439 4.142 20 0 GIADLO COc1cc(C)c(C[N@@H+](C)Cc2nc(-c3ccc(F)c(C)c3)no2)cc1OC ZINC000178258959 822360025 /nfs/dbraw/zinc/36/00/25/822360025.db2.gz BFHDHZXZPCTYTA-UHFFFAOYSA-N 1 2 385.439 4.142 20 0 GIADLO CCCc1ccc([C@@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c2cccs2)cc1 ZINC000045123926 822364231 /nfs/dbraw/zinc/36/42/31/822364231.db2.gz MRWLOEVJNQURJQ-OXJNMPFZSA-N 1 2 382.533 4.374 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2csc([C@@H](C)OC)n2)cc1Br ZINC000178365787 822371793 /nfs/dbraw/zinc/37/17/93/822371793.db2.gz SAUNOAYXDNEYBY-WDEREUQCSA-N 1 2 385.327 4.472 20 0 GIADLO CC1([C@@H]2CCC[N@H+](Cn3cc(C(F)(F)F)cc(Cl)c3=S)C2)OCCO1 ZINC000182825159 822373597 /nfs/dbraw/zinc/37/35/97/822373597.db2.gz XEYGQSYRYPXOCM-LLVKDONJSA-N 1 2 396.862 4.322 20 0 GIADLO CC1([C@@H]2CCC[N@@H+](Cn3cc(C(F)(F)F)cc(Cl)c3=S)C2)OCCO1 ZINC000182825159 822373600 /nfs/dbraw/zinc/37/36/00/822373600.db2.gz XEYGQSYRYPXOCM-LLVKDONJSA-N 1 2 396.862 4.322 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(C)s2)cc1 ZINC000045294211 822376580 /nfs/dbraw/zinc/37/65/80/822376580.db2.gz DIVZYZISBPWUCA-UHFFFAOYSA-N 1 2 383.517 4.384 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2sc(C)nc2C)cc1 ZINC000045294190 822376697 /nfs/dbraw/zinc/37/66/97/822376697.db2.gz VDTNUFCARGFUOC-UHFFFAOYSA-N 1 2 398.532 4.088 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Cc2ccccc2F)cc1 ZINC000045294246 822376924 /nfs/dbraw/zinc/37/69/24/822376924.db2.gz QMVXMXFAXKBYMC-UHFFFAOYSA-N 1 2 395.478 4.083 20 0 GIADLO CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182843905 822377179 /nfs/dbraw/zinc/37/71/79/822377179.db2.gz SMPYVHQWNGSPCZ-ZDUSSCGKSA-N 1 2 395.404 4.248 20 0 GIADLO CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182843905 822377183 /nfs/dbraw/zinc/37/71/83/822377183.db2.gz SMPYVHQWNGSPCZ-ZDUSSCGKSA-N 1 2 395.404 4.248 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3ncc(-c4cccs4)o3)C2)n1 ZINC000182851063 822378821 /nfs/dbraw/zinc/37/88/21/822378821.db2.gz IJDDXPWACMXEIW-LBPRGKRZSA-N 1 2 382.411 4.456 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)n1 ZINC000182851063 822378825 /nfs/dbraw/zinc/37/88/25/822378825.db2.gz IJDDXPWACMXEIW-LBPRGKRZSA-N 1 2 382.411 4.456 20 0 GIADLO CCS[C@@H](C)c1noc(C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000178448610 822380109 /nfs/dbraw/zinc/38/01/09/822380109.db2.gz TVMYBDYKLAUSSF-KBPBESRZSA-N 1 2 398.573 4.009 20 0 GIADLO CCc1ccc(CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C2CC2)cc1 ZINC000045490826 822390290 /nfs/dbraw/zinc/39/02/90/822390290.db2.gz YESRHZSBYQGAOY-UHFFFAOYSA-N 1 2 378.520 4.118 20 0 GIADLO COc1cccc([C@@H](O)C[N@H+](Cc2nccn2C(F)F)Cc2ccccc2)c1 ZINC000178613972 822396125 /nfs/dbraw/zinc/39/61/25/822396125.db2.gz YTGIBPUHXPOUAP-IBGZPJMESA-N 1 2 387.430 4.023 20 0 GIADLO COc1cccc([C@@H](O)C[N@@H+](Cc2nccn2C(F)F)Cc2ccccc2)c1 ZINC000178613972 822396130 /nfs/dbraw/zinc/39/61/30/822396130.db2.gz YTGIBPUHXPOUAP-IBGZPJMESA-N 1 2 387.430 4.023 20 0 GIADLO CCCCc1oc2ccccc2c1C[N@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000182960934 822400280 /nfs/dbraw/zinc/40/02/80/822400280.db2.gz RLECVZHHECQLRP-UHFFFAOYSA-N 1 2 389.503 4.442 20 0 GIADLO CCCCc1oc2ccccc2c1C[N@@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000182960934 822400284 /nfs/dbraw/zinc/40/02/84/822400284.db2.gz RLECVZHHECQLRP-UHFFFAOYSA-N 1 2 389.503 4.442 20 0 GIADLO CCOc1ccc([C@@H]2CCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000045640859 822402138 /nfs/dbraw/zinc/40/21/38/822402138.db2.gz VFXXZCYGPRLRAM-QFIPXVFZSA-N 1 2 375.472 4.307 20 0 GIADLO CC[N@H+](Cc1cn(Cc2cccnc2)nn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000182997324 822408077 /nfs/dbraw/zinc/40/80/77/822408077.db2.gz YRMMZAFNXBVRIC-OAHLLOKOSA-N 1 2 389.425 4.323 20 0 GIADLO CC[N@@H+](Cc1cn(Cc2cccnc2)nn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000182997324 822408080 /nfs/dbraw/zinc/40/80/80/822408080.db2.gz YRMMZAFNXBVRIC-OAHLLOKOSA-N 1 2 389.425 4.323 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C2CC2)o1 ZINC000045736483 822409499 /nfs/dbraw/zinc/40/94/99/822409499.db2.gz VMBIKNPYQYMRFA-IERDGZPVSA-N 1 2 375.472 4.453 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc([S@](C)=O)cc2)c(Cl)c1 ZINC000178798882 822411333 /nfs/dbraw/zinc/41/13/33/822411333.db2.gz RKWHYHFXABUTPF-HAWMADMCSA-N 1 2 392.952 4.153 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c(Cl)c1 ZINC000178798882 822411335 /nfs/dbraw/zinc/41/13/35/822411335.db2.gz RKWHYHFXABUTPF-HAWMADMCSA-N 1 2 392.952 4.153 20 0 GIADLO O=C(NCc1ccnc(Oc2ccccc2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045775670 822412318 /nfs/dbraw/zinc/41/23/18/822412318.db2.gz KOTCSFQDGQTDQZ-UHFFFAOYSA-N 1 2 384.439 4.049 20 0 GIADLO Cc1c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cccc1-c1ccccn1 ZINC000178814070 822412956 /nfs/dbraw/zinc/41/29/56/822412956.db2.gz STQWOQNHVQORPH-UHFFFAOYSA-N 1 2 382.467 4.232 20 0 GIADLO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000183042709 822416531 /nfs/dbraw/zinc/41/65/31/822416531.db2.gz RIYZZKWVNLTRBN-KGLIPLIRSA-N 1 2 398.438 4.019 20 0 GIADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000178855812 822416674 /nfs/dbraw/zinc/41/66/74/822416674.db2.gz SXIAJDWGCFQGRV-CQSZACIVSA-N 1 2 383.293 4.284 20 0 GIADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000178855812 822416679 /nfs/dbraw/zinc/41/66/79/822416679.db2.gz SXIAJDWGCFQGRV-CQSZACIVSA-N 1 2 383.293 4.284 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(Cl)c1 ZINC000045841504 822418385 /nfs/dbraw/zinc/41/83/85/822418385.db2.gz JPHJULSCTOZHFW-SJORKVTESA-N 1 2 399.922 4.326 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(Cl)c1 ZINC000045841504 822418388 /nfs/dbraw/zinc/41/83/88/822418388.db2.gz JPHJULSCTOZHFW-SJORKVTESA-N 1 2 399.922 4.326 20 0 GIADLO COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000183060465 822418675 /nfs/dbraw/zinc/41/86/75/822418675.db2.gz KWUUCRDQDKBEOJ-QGZVFWFLSA-N 1 2 385.471 4.189 20 0 GIADLO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000183065946 822419590 /nfs/dbraw/zinc/41/95/90/822419590.db2.gz ZERZOUCESYQRRA-CABCVRRESA-N 1 2 385.439 4.346 20 0 GIADLO Cc1cc(C)c(CNC(=O)C(=O)Nc2cccc(Cl)c2SC(C)C)c[nH+]1 ZINC000454034393 822424045 /nfs/dbraw/zinc/42/40/45/822424045.db2.gz QDYZLSWWFTZNHO-UHFFFAOYSA-N 1 2 391.924 4.107 20 0 GIADLO Cc1nc(-c2ccc(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2)cs1 ZINC000045985231 822430203 /nfs/dbraw/zinc/43/02/03/822430203.db2.gz GBPLDUZDSAQQAX-UHFFFAOYSA-N 1 2 393.516 4.304 20 0 GIADLO O=C(Nc1cccc2c1CCCN2CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000183188389 822438177 /nfs/dbraw/zinc/43/81/77/822438177.db2.gz CGFPZEZXPMJOLF-UHFFFAOYSA-N 1 2 378.451 4.117 20 0 GIADLO CC[C@H](CNc1ccccc1)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000454265986 822446231 /nfs/dbraw/zinc/44/62/31/822446231.db2.gz HVLGDKOSUUFNFU-MRXNPFEDSA-N 1 2 387.553 4.141 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@]4(CCSC4)C3)n2)C1 ZINC000454265740 822446297 /nfs/dbraw/zinc/44/62/97/822446297.db2.gz AQYUBTYCAIHVIJ-DNVCBOLYSA-N 1 2 394.610 4.126 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@]4(CCSC4)C3)n2)C1 ZINC000454265740 822446299 /nfs/dbraw/zinc/44/62/99/822446299.db2.gz AQYUBTYCAIHVIJ-DNVCBOLYSA-N 1 2 394.610 4.126 20 0 GIADLO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)C(C)C ZINC000183260655 822449782 /nfs/dbraw/zinc/44/97/82/822449782.db2.gz CTXPWJKWHXQVIZ-SFHVURJKSA-N 1 2 392.546 4.229 20 0 GIADLO C[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ncc(Br)s1 ZINC000179204202 822450492 /nfs/dbraw/zinc/45/04/92/822450492.db2.gz QLTYZCHUHYNMPK-QMMMGPOBSA-N 1 2 396.232 4.093 20 0 GIADLO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ncc(Br)s2)c1 ZINC000179206358 822450920 /nfs/dbraw/zinc/45/09/20/822450920.db2.gz YMENUWFXRBGPPG-NWDGAFQWSA-N 1 2 396.354 4.285 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)n2)C1 ZINC000454285154 822451195 /nfs/dbraw/zinc/45/11/95/822451195.db2.gz ZVCABQLMMFOTTI-GSCOEGLNSA-N 1 2 386.565 4.051 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)n2)C1 ZINC000454285154 822451196 /nfs/dbraw/zinc/45/11/96/822451196.db2.gz ZVCABQLMMFOTTI-GSCOEGLNSA-N 1 2 386.565 4.051 20 0 GIADLO Cc1ccc([C@H](CN[C@H](C)c2ncc(Br)s2)[NH+]2CCCC2)o1 ZINC000179221753 822453314 /nfs/dbraw/zinc/45/33/14/822453314.db2.gz KCHGTQWTIHVJBC-OLZOCXBDSA-N 1 2 384.343 4.295 20 0 GIADLO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ncc(Br)s1 ZINC000179238589 822455793 /nfs/dbraw/zinc/45/57/93/822455793.db2.gz JESGLSYYMGVXAF-GFCCVEGCSA-N 1 2 385.327 4.090 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCCOc4c(F)cccc43)cn2c1 ZINC000183321982 822458600 /nfs/dbraw/zinc/45/86/00/822458600.db2.gz OWBCVNJRJPAZBZ-SFHVURJKSA-N 1 2 399.491 4.045 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000454330500 822458982 /nfs/dbraw/zinc/45/89/82/822458982.db2.gz IZIBSRHGJBHSIQ-QFIPXVFZSA-N 1 2 390.531 4.377 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cnn1C ZINC000183326484 822459367 /nfs/dbraw/zinc/45/93/67/822459367.db2.gz YDHBCPSJQROVDL-ZJUUUORDSA-N 1 2 380.279 4.497 20 0 GIADLO COc1ccc(Cl)cc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046341148 822463007 /nfs/dbraw/zinc/46/30/07/822463007.db2.gz MDNCDWPQIFPCCC-GASCZTMLSA-N 1 2 388.895 4.210 20 0 GIADLO COc1ccc(Cl)cc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046341148 822463010 /nfs/dbraw/zinc/46/30/10/822463010.db2.gz MDNCDWPQIFPCCC-GASCZTMLSA-N 1 2 388.895 4.210 20 0 GIADLO CSCc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046341327 822463082 /nfs/dbraw/zinc/46/30/82/822463082.db2.gz APPINMXCNUPOFN-CALCHBBNSA-N 1 2 384.545 4.411 20 0 GIADLO CSCc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046341327 822463086 /nfs/dbraw/zinc/46/30/86/822463086.db2.gz APPINMXCNUPOFN-CALCHBBNSA-N 1 2 384.545 4.411 20 0 GIADLO C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046341514 822463252 /nfs/dbraw/zinc/46/32/52/822463252.db2.gz VSKGBMHXRZMJNX-FGTMMUONSA-N 1 2 384.545 4.415 20 0 GIADLO C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046341514 822463253 /nfs/dbraw/zinc/46/32/53/822463253.db2.gz VSKGBMHXRZMJNX-FGTMMUONSA-N 1 2 384.545 4.415 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cnn1C ZINC000183358020 822463326 /nfs/dbraw/zinc/46/33/26/822463326.db2.gz NPOGRZNTQPHYMV-QWRGUYRKSA-N 1 2 379.386 4.209 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(Cl)cc2F)C[C@@H](C)O1 ZINC000046342674 822463556 /nfs/dbraw/zinc/46/35/56/822463556.db2.gz WOGNGDFCGVJKLE-ZIAGYGMSSA-N 1 2 376.859 4.341 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000046342067 822463611 /nfs/dbraw/zinc/46/36/11/822463611.db2.gz BLJXDIOLIZXWOM-HUUCEWRRSA-N 1 2 390.886 4.270 20 0 GIADLO CC(C)Oc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046343551 822463880 /nfs/dbraw/zinc/46/38/80/822463880.db2.gz YLPBMHLZAPFTJH-QZTJIDSGSA-N 1 2 382.504 4.335 20 0 GIADLO Fc1ccc([C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)c2ccccc2)nc1 ZINC000183368454 822464529 /nfs/dbraw/zinc/46/45/29/822464529.db2.gz KUAMIPNEELXVJU-QHCPKHFHSA-N 1 2 376.479 4.485 20 0 GIADLO C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)c1nccn1C ZINC000183405164 822469088 /nfs/dbraw/zinc/46/90/88/822469088.db2.gz HKKOWWKYIIILQN-OXJNMPFZSA-N 1 2 394.519 4.490 20 0 GIADLO Cc1cc(Br)cc(C)c1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046468113 822475912 /nfs/dbraw/zinc/47/59/12/822475912.db2.gz IJXDKIKJHAUSJX-HNNXBMFYSA-N 1 2 393.329 4.499 20 0 GIADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000046468144 822475968 /nfs/dbraw/zinc/47/59/68/822475968.db2.gz FWSMAPFUFKPKTC-HNNXBMFYSA-N 1 2 384.402 4.061 20 0 GIADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000046468610 822475973 /nfs/dbraw/zinc/47/59/73/822475973.db2.gz SDEBMCWVEZVZKD-SFHVURJKSA-N 1 2 384.480 4.161 20 0 GIADLO Cc1ncsc1C[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179427367 822480999 /nfs/dbraw/zinc/48/09/99/822480999.db2.gz BOHAMANYUVYSBR-UHFFFAOYSA-N 1 2 377.311 4.032 20 0 GIADLO Cc1ncsc1C[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000179427367 822481000 /nfs/dbraw/zinc/48/10/00/822481000.db2.gz BOHAMANYUVYSBR-UHFFFAOYSA-N 1 2 377.311 4.032 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c[nH+]1 ZINC000454486249 822482924 /nfs/dbraw/zinc/48/29/24/822482924.db2.gz SGQTVERKCSKNSB-UHFFFAOYSA-N 1 2 387.333 4.223 20 0 GIADLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000179489519 822490185 /nfs/dbraw/zinc/49/01/85/822490185.db2.gz NTICRVYKABWISR-MRXNPFEDSA-N 1 2 396.343 4.360 20 0 GIADLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000179489519 822490187 /nfs/dbraw/zinc/49/01/87/822490187.db2.gz NTICRVYKABWISR-MRXNPFEDSA-N 1 2 396.343 4.360 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c[nH+]1 ZINC000454525845 822491610 /nfs/dbraw/zinc/49/16/10/822491610.db2.gz BZAQCDTYBSJUGW-UHFFFAOYSA-N 1 2 388.899 4.059 20 0 GIADLO O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046619952 822494049 /nfs/dbraw/zinc/49/40/49/822494049.db2.gz BLMWMPCBIBHCSW-CMDGGOBGSA-N 1 2 392.890 4.082 20 0 GIADLO O=C(CCCOc1cccc2ccccc21)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046620061 822494059 /nfs/dbraw/zinc/49/40/59/822494059.db2.gz PVKNKCLAILPNJY-UHFFFAOYSA-N 1 2 389.499 4.179 20 0 GIADLO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(F)cc1Br ZINC000179522187 822496400 /nfs/dbraw/zinc/49/64/00/822496400.db2.gz YNEKGWFXRMGGJK-JTQLQIEISA-N 1 2 389.215 4.478 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(OC(F)F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179544110 822500522 /nfs/dbraw/zinc/50/05/22/822500522.db2.gz JWKDZQDZGIOPSI-SJORKVTESA-N 1 2 397.372 4.133 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OC(F)F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179544110 822500525 /nfs/dbraw/zinc/50/05/25/822500525.db2.gz JWKDZQDZGIOPSI-SJORKVTESA-N 1 2 397.372 4.133 20 0 GIADLO CSc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000179545579 822500704 /nfs/dbraw/zinc/50/07/04/822500704.db2.gz DTNJOTOWEUQQRD-ROUUACIJSA-N 1 2 377.460 4.254 20 0 GIADLO CSc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000179545579 822500705 /nfs/dbraw/zinc/50/07/05/822500705.db2.gz DTNJOTOWEUQQRD-ROUUACIJSA-N 1 2 377.460 4.254 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)s1 ZINC000183609517 822500735 /nfs/dbraw/zinc/50/07/35/822500735.db2.gz YBSNAKKCBICVDP-UHFFFAOYSA-N 1 2 398.454 4.256 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3ncsc3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179548194 822501079 /nfs/dbraw/zinc/50/10/79/822501079.db2.gz LIRFTLVNNOOSFF-WMZOPIPTSA-N 1 2 388.443 4.141 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc3ncsc3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179548194 822501081 /nfs/dbraw/zinc/50/10/81/822501081.db2.gz LIRFTLVNNOOSFF-WMZOPIPTSA-N 1 2 388.443 4.141 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c[nH+]1 ZINC000454584908 822501310 /nfs/dbraw/zinc/50/13/10/822501310.db2.gz DUUQFHNRFVCGFF-SFHVURJKSA-N 1 2 394.519 4.343 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1cccc(OC(F)F)c1 ZINC000179578435 822506388 /nfs/dbraw/zinc/50/63/88/822506388.db2.gz ZXCDXLAYUYFMGY-JTQLQIEISA-N 1 2 381.329 4.467 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1cc(Cl)ccc1F ZINC000046720984 822509796 /nfs/dbraw/zinc/50/97/96/822509796.db2.gz RFYZPKAQEPCYDM-CYBMUJFWSA-N 1 2 387.842 4.438 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1cc(Cl)ccc1F ZINC000046720984 822509797 /nfs/dbraw/zinc/50/97/97/822509797.db2.gz RFYZPKAQEPCYDM-CYBMUJFWSA-N 1 2 387.842 4.438 20 0 GIADLO Cn1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c(-c2cccs2)n1 ZINC000179626835 822515208 /nfs/dbraw/zinc/51/52/08/822515208.db2.gz OYJDTLMQVUCDIH-UHFFFAOYSA-N 1 2 376.869 4.342 20 0 GIADLO Cn1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c(-c2cccs2)n1 ZINC000179626835 822515211 /nfs/dbraw/zinc/51/52/11/822515211.db2.gz OYJDTLMQVUCDIH-UHFFFAOYSA-N 1 2 376.869 4.342 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(-c2cccc(F)c2)no1 ZINC000046812253 822520275 /nfs/dbraw/zinc/52/02/75/822520275.db2.gz PPYNEXGAYSOOJS-UHFFFAOYSA-N 1 2 386.452 4.175 20 0 GIADLO CC[C@@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1c(C)noc1C ZINC000454710532 822521742 /nfs/dbraw/zinc/52/17/42/822521742.db2.gz FGRBTLZEWZNQDD-MRXNPFEDSA-N 1 2 387.871 4.081 20 0 GIADLO CC[C@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1c(C)noc1C ZINC000454710526 822521821 /nfs/dbraw/zinc/52/18/21/822521821.db2.gz FGRBTLZEWZNQDD-INIZCTEOSA-N 1 2 387.871 4.081 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CCCN3C)CC1 ZINC000183764397 822524732 /nfs/dbraw/zinc/52/47/32/822524732.db2.gz WNFFXAMVHVHIBA-INIZCTEOSA-N 1 2 384.549 4.041 20 0 GIADLO C[C@@H](c1cccc(NC(=O)N2CC3(CC3)c3ccccc32)c1)[NH+]1CCOCC1 ZINC000454735945 822525307 /nfs/dbraw/zinc/52/53/07/822525307.db2.gz IROLTLZWPYPKSS-KRWDZBQOSA-N 1 2 377.488 4.164 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3cccc(OC(C)C)c3)n2)c(OC)c1 ZINC000179678906 822525602 /nfs/dbraw/zinc/52/56/02/822525602.db2.gz MZBDRCUUAUBWHD-OAHLLOKOSA-N 1 2 397.475 4.392 20 0 GIADLO CCn1ncc2ccc(NC(=O)N3CC[NH+]([C@H](C)c4ccsc4)CC3)cc21 ZINC000183777703 822527143 /nfs/dbraw/zinc/52/71/43/822527143.db2.gz AUCDFEOIPRDKSL-OAHLLOKOSA-N 1 2 383.521 4.028 20 0 GIADLO C[C@H](c1cccc(NC(=O)N2CC(c3ccc(Cl)cc3)C2)c1)[NH+]1CCOCC1 ZINC000454746891 822527273 /nfs/dbraw/zinc/52/72/73/822527273.db2.gz SGHGAJKCENZTKY-MRXNPFEDSA-N 1 2 399.922 4.365 20 0 GIADLO C[C@@H](c1cccc(NC(=O)N2CC(c3ccc(Cl)cc3)C2)c1)[NH+]1CCOCC1 ZINC000454746890 822527311 /nfs/dbraw/zinc/52/73/11/822527311.db2.gz SGHGAJKCENZTKY-INIZCTEOSA-N 1 2 399.922 4.365 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc(OCc2ccccn2)c1 ZINC000179689765 822528032 /nfs/dbraw/zinc/52/80/32/822528032.db2.gz VGWQVDYLAQZEPC-OAHLLOKOSA-N 1 2 376.416 4.154 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c[nH+]1 ZINC000454752752 822528312 /nfs/dbraw/zinc/52/83/12/822528312.db2.gz PZEMLHPSRHOBDG-UHFFFAOYSA-N 1 2 388.899 4.154 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc(F)cc1Cl ZINC000183789818 822528459 /nfs/dbraw/zinc/52/84/59/822528459.db2.gz ZDCFGCPANKEKOG-SECBINFHSA-N 1 2 377.872 4.117 20 0 GIADLO C[C@H](C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)n1cc[nH+]c1 ZINC000046911222 822529745 /nfs/dbraw/zinc/52/97/45/822529745.db2.gz PIVPMHRZPJHDPI-SNVBAGLBSA-N 1 2 381.288 4.437 20 0 GIADLO CCc1ccc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000046945525 822533508 /nfs/dbraw/zinc/53/35/08/822533508.db2.gz VKKPHPJDZVXXLF-IYBDPMFKSA-N 1 2 387.549 4.241 20 0 GIADLO CCc1ccc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000046945525 822533510 /nfs/dbraw/zinc/53/35/10/822533510.db2.gz VKKPHPJDZVXXLF-IYBDPMFKSA-N 1 2 387.549 4.241 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cn(C)nc2-c2ccccc2)c(C)c1 ZINC000179716489 822533945 /nfs/dbraw/zinc/53/39/45/822533945.db2.gz QBOABQIOUSECCJ-UHFFFAOYSA-N 1 2 376.504 4.083 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cn(C)nc2-c2ccccc2)c(C)c1 ZINC000179716489 822533946 /nfs/dbraw/zinc/53/39/46/822533946.db2.gz QBOABQIOUSECCJ-UHFFFAOYSA-N 1 2 376.504 4.083 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1OC(F)F ZINC000179725595 822535973 /nfs/dbraw/zinc/53/59/73/822535973.db2.gz YOSVKYNZAXJOHU-IEBWSBKVSA-N 1 2 392.421 4.488 20 0 GIADLO CC[C@H]([NH2+][C@H](C)c1ncc(C(C)(C)C)o1)c1ccccc1OCC(=O)N(C)C ZINC000179729586 822536846 /nfs/dbraw/zinc/53/68/46/822536846.db2.gz OTPYZYJGPKYTBE-WBVHZDCISA-N 1 2 387.524 4.241 20 0 GIADLO CSc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000047055544 822541191 /nfs/dbraw/zinc/54/11/91/822541191.db2.gz SSTJGLPUTNZMMR-HNNXBMFYSA-N 1 2 375.563 4.058 20 0 GIADLO COc1cc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)ccc1OC(C)C ZINC000183898231 822542618 /nfs/dbraw/zinc/54/26/18/822542618.db2.gz IVHRXJQBHZPNPD-UHFFFAOYSA-N 1 2 399.516 4.310 20 0 GIADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2cccc(-c3csc(C)n3)c2)s1 ZINC000183920453 822546727 /nfs/dbraw/zinc/54/67/27/822546727.db2.gz HAJUORKZATWENJ-UHFFFAOYSA-N 1 2 386.546 4.347 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(NC(=O)C4CC4)cc3)n2)cc1 ZINC000179763705 822546830 /nfs/dbraw/zinc/54/68/30/822546830.db2.gz FUJXTRDYKNZDEG-OAHLLOKOSA-N 1 2 390.487 4.498 20 0 GIADLO O=C(c1ncccc1C(F)(F)F)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000179813726 822558340 /nfs/dbraw/zinc/55/83/40/822558340.db2.gz RGAJLDGUBCWUET-UHFFFAOYSA-N 1 2 397.828 4.102 20 0 GIADLO O=C(c1ncccc1C(F)(F)F)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000179813726 822558341 /nfs/dbraw/zinc/55/83/41/822558341.db2.gz RGAJLDGUBCWUET-UHFFFAOYSA-N 1 2 397.828 4.102 20 0 GIADLO O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047249105 822558575 /nfs/dbraw/zinc/55/85/75/822558575.db2.gz JPORVSMEQVMSGG-UHFFFAOYSA-N 1 2 378.432 4.446 20 0 GIADLO O=C(Nc1ccccn1)C1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000047258044 822559327 /nfs/dbraw/zinc/55/93/27/822559327.db2.gz SHYISDDZXAGHGN-UHFFFAOYSA-N 1 2 384.530 4.117 20 0 GIADLO COc1ccc2cc(C[N@H+](C)Cc3csc(-c4cnn(C)c4)n3)ccc2c1 ZINC000047265236 822559924 /nfs/dbraw/zinc/55/99/24/822559924.db2.gz UMEOGSVQDURDMI-UHFFFAOYSA-N 1 2 378.501 4.337 20 0 GIADLO COc1ccc2cc(C[N@@H+](C)Cc3csc(-c4cnn(C)c4)n3)ccc2c1 ZINC000047265236 822559927 /nfs/dbraw/zinc/55/99/27/822559927.db2.gz UMEOGSVQDURDMI-UHFFFAOYSA-N 1 2 378.501 4.337 20 0 GIADLO C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000047371791 822571588 /nfs/dbraw/zinc/57/15/88/822571588.db2.gz RFGCTMAMRBRBST-CYBMUJFWSA-N 1 2 394.491 4.054 20 0 GIADLO CC(C)c1cnc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)s1 ZINC000184059345 822572485 /nfs/dbraw/zinc/57/24/85/822572485.db2.gz PBQSHMNKETVULO-VQIMIIECSA-N 1 2 379.957 4.081 20 0 GIADLO CC(C)c1cnc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000184059345 822572487 /nfs/dbraw/zinc/57/24/87/822572487.db2.gz PBQSHMNKETVULO-VQIMIIECSA-N 1 2 379.957 4.081 20 0 GIADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC(F)F ZINC000179895116 822572875 /nfs/dbraw/zinc/57/28/75/822572875.db2.gz JXJHSLPNKNXWMR-LLVKDONJSA-N 1 2 384.423 4.438 20 0 GIADLO C[C@@]12CN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000455023917 822573224 /nfs/dbraw/zinc/57/32/24/822573224.db2.gz NGRRNCFYNXVTOR-NGWCSTFBSA-N 1 2 386.499 4.278 20 0 GIADLO COCCOc1ccc([C@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)cc1OC ZINC000179918783 822577150 /nfs/dbraw/zinc/57/71/50/822577150.db2.gz DQQHCTCQTGHUTC-KRWDZBQOSA-N 1 2 385.508 4.279 20 0 GIADLO CC[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccccc1OCC(=O)N(C)C ZINC000179922810 822577617 /nfs/dbraw/zinc/57/76/17/822577617.db2.gz WMTIPVTULBETIR-FQEVSTJZSA-N 1 2 396.535 4.102 20 0 GIADLO CCCN(CCc1cccs1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000184098238 822577912 /nfs/dbraw/zinc/57/79/12/822577912.db2.gz XDMWRGJPGPEFAF-UHFFFAOYSA-N 1 2 386.565 4.298 20 0 GIADLO O=C(Cc1cccc(OCc2cccnc2)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000179925607 822578179 /nfs/dbraw/zinc/57/81/79/822578179.db2.gz DQLROLSOKBXTDH-UHFFFAOYSA-N 1 2 384.439 4.028 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCc1cc2ccccc2s1 ZINC000455043274 822578687 /nfs/dbraw/zinc/57/86/87/822578687.db2.gz ZGFRJOVWZVQYSI-UHFFFAOYSA-N 1 2 384.549 4.325 20 0 GIADLO Cc1ccc(C(=O)CCCC(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000184109080 822579500 /nfs/dbraw/zinc/57/95/00/822579500.db2.gz MNEIDGFSERVKPZ-UHFFFAOYSA-N 1 2 394.515 4.127 20 0 GIADLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)Nc1cccc(F)c1 ZINC000179933048 822579741 /nfs/dbraw/zinc/57/97/41/822579741.db2.gz AHIBYJROWQDLIW-AWEZNQCLSA-N 1 2 391.874 4.218 20 0 GIADLO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)Nc1cccc(F)c1 ZINC000179933048 822579746 /nfs/dbraw/zinc/57/97/46/822579746.db2.gz AHIBYJROWQDLIW-AWEZNQCLSA-N 1 2 391.874 4.218 20 0 GIADLO CCCCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000179941098 822581423 /nfs/dbraw/zinc/58/14/23/822581423.db2.gz JKSTZETUGLZECA-QGZVFWFLSA-N 1 2 375.534 4.462 20 0 GIADLO CCCCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000179941098 822581424 /nfs/dbraw/zinc/58/14/24/822581424.db2.gz JKSTZETUGLZECA-QGZVFWFLSA-N 1 2 375.534 4.462 20 0 GIADLO COc1ccccc1[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)OC(C)C ZINC000184129215 822583210 /nfs/dbraw/zinc/58/32/10/822583210.db2.gz LONDBVHCWSSTFS-GOSISDBHSA-N 1 2 383.496 4.168 20 0 GIADLO CCOc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc(OCC)c1OCC ZINC000047514886 822585688 /nfs/dbraw/zinc/58/56/88/822585688.db2.gz GAYAGCVQKBWLDK-UHFFFAOYSA-N 1 2 395.459 4.321 20 0 GIADLO CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000047514476 822585690 /nfs/dbraw/zinc/58/56/90/822585690.db2.gz ZSGBYBNCCMDLHU-UHFFFAOYSA-N 1 2 378.432 4.472 20 0 GIADLO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000179977029 822589147 /nfs/dbraw/zinc/58/91/47/822589147.db2.gz SQUPZGWOJHIBRO-GFCCVEGCSA-N 1 2 389.883 4.103 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)C1 ZINC000455106260 822589646 /nfs/dbraw/zinc/58/96/46/822589646.db2.gz JSWATSWBPRSWPB-MRXNPFEDSA-N 1 2 377.448 4.019 20 0 GIADLO Cc1ccc(CN(C)C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000047569442 822591901 /nfs/dbraw/zinc/59/19/01/822591901.db2.gz GLMCETUYJCYNCV-RTBURBONSA-N 1 2 381.520 4.268 20 0 GIADLO C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1nc2ccc(Cl)cc2n1C ZINC000180008113 822594938 /nfs/dbraw/zinc/59/49/38/822594938.db2.gz XYHXUEGLTNVMPX-NSHDSACASA-N 1 2 398.816 4.414 20 0 GIADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000184224204 822599019 /nfs/dbraw/zinc/59/90/19/822599019.db2.gz AUEQEMVIYAAMSJ-QFBILLFUSA-N 1 2 391.508 4.081 20 0 GIADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000184224204 822599021 /nfs/dbraw/zinc/59/90/21/822599021.db2.gz AUEQEMVIYAAMSJ-QFBILLFUSA-N 1 2 391.508 4.081 20 0 GIADLO Cc1csc([C@H](C)[NH2+][C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)n1 ZINC000184246654 822602312 /nfs/dbraw/zinc/60/23/12/822602312.db2.gz OLJJNZCNLOCUGJ-USWWRNFRSA-N 1 2 388.562 4.286 20 0 GIADLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797906 822609680 /nfs/dbraw/zinc/60/96/80/822609680.db2.gz DXVXCGOLFNFNAM-OAHLLOKOSA-N 1 2 386.442 4.195 20 0 GIADLO COc1ccc2oc([C@H](C)[NH2+]Cc3nc4oc(C)c(C)c4c(N)n3)c(C)c2c1 ZINC000184322058 822614714 /nfs/dbraw/zinc/61/47/14/822614714.db2.gz CQDIQMBPLUKHMX-LBPRGKRZSA-N 1 2 380.448 4.336 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)c2cccc(F)c2)cn1 ZINC000180101587 822615421 /nfs/dbraw/zinc/61/54/21/822615421.db2.gz DSEKWKKLXLKEER-JOCHJYFZSA-N 1 2 380.467 4.155 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1nc(C)cs1 ZINC000184360911 822622039 /nfs/dbraw/zinc/62/20/39/822622039.db2.gz YJNWRMKQURKKLB-ZBFHGGJFSA-N 1 2 398.488 4.056 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)c2cccc(F)c2)cn1 ZINC000180152331 822627932 /nfs/dbraw/zinc/62/79/32/822627932.db2.gz DJFGACCBFVTLJN-JOCHJYFZSA-N 1 2 380.467 4.155 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nn1-c1cc(C)cc(C)c1 ZINC000180183100 822634338 /nfs/dbraw/zinc/63/43/38/822634338.db2.gz MBKJHURHVJOBGF-XLIONFOSSA-N 1 2 392.507 4.109 20 0 GIADLO C[N@@H+]1CCN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)c2ccccc2C1 ZINC000180198791 822637930 /nfs/dbraw/zinc/63/79/30/822637930.db2.gz KRXOZSMSCHQUCM-UHFFFAOYSA-N 1 2 385.439 4.181 20 0 GIADLO C[N@H+]1CCN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)c2ccccc2C1 ZINC000180198791 822637934 /nfs/dbraw/zinc/63/79/34/822637934.db2.gz KRXOZSMSCHQUCM-UHFFFAOYSA-N 1 2 385.439 4.181 20 0 GIADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000455393482 822645760 /nfs/dbraw/zinc/64/57/60/822645760.db2.gz ZFYURQWOQQBLTM-PBHICJAKSA-N 1 2 377.410 4.218 20 0 GIADLO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1nc(C(C)(C)C)cs1 ZINC000184500371 822646059 /nfs/dbraw/zinc/64/60/59/822646059.db2.gz DZWFZPAYEANHFY-RISCZKNCSA-N 1 2 379.476 4.175 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184501494 822646264 /nfs/dbraw/zinc/64/62/64/822646264.db2.gz GGKDPWLNDLSLAZ-UONOGXRCSA-N 1 2 375.538 4.435 20 0 GIADLO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184517148 822649378 /nfs/dbraw/zinc/64/93/78/822649378.db2.gz ATYYANVOUPALAK-CQSZACIVSA-N 1 2 379.485 4.302 20 0 GIADLO CCc1nc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)sc1C ZINC000184526287 822651096 /nfs/dbraw/zinc/65/10/96/822651096.db2.gz VEHYCNOJIBCHFE-GFCCVEGCSA-N 1 2 386.546 4.427 20 0 GIADLO C[C@H](NC(=O)C[N@H+](Cc1cccnc1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000180277578 822653100 /nfs/dbraw/zinc/65/31/00/822653100.db2.gz MIMRQTQBXKYKHC-ZDUSSCGKSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@H](NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000180277578 822653102 /nfs/dbraw/zinc/65/31/02/822653102.db2.gz MIMRQTQBXKYKHC-ZDUSSCGKSA-N 1 2 378.303 4.230 20 0 GIADLO Cc1nc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)sc1Cc1ccc(F)cc1 ZINC000455447380 822656036 /nfs/dbraw/zinc/65/60/36/822656036.db2.gz MOKZUMZNSHGXSO-UHFFFAOYSA-N 1 2 399.495 4.247 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2csc(Br)c2)c2ccc(F)cc2)cn1 ZINC000184579394 822660720 /nfs/dbraw/zinc/66/07/20/822660720.db2.gz ZLKGVQPJEJRXGI-INIZCTEOSA-N 1 2 380.286 4.262 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)c1ccco1 ZINC000184591510 822662742 /nfs/dbraw/zinc/66/27/42/822662742.db2.gz VVLFACXNXSLMJQ-UXHICEINSA-N 1 2 384.520 4.218 20 0 GIADLO Cc1cc2oc(=O)cc(C[NH2+][C@@H](c3cnn(C)c3)c3ccc(F)cc3)c2cc1C ZINC000184594100 822663086 /nfs/dbraw/zinc/66/30/86/822663086.db2.gz KKTCVYXRMDTPHV-HSZRJFAPSA-N 1 2 391.446 4.162 20 0 GIADLO COC[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccco1 ZINC000184602830 822664475 /nfs/dbraw/zinc/66/44/75/822664475.db2.gz DTYJAMJBVPJRDD-GFCCVEGCSA-N 1 2 376.197 4.121 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCN(c3cccc4cnccc43)C[C@@H]2C)c(C)[nH+]1 ZINC000455492746 822665344 /nfs/dbraw/zinc/66/53/44/822665344.db2.gz BVAXNTWJPQJFOL-KRWDZBQOSA-N 1 2 389.503 4.298 20 0 GIADLO Cc1cc(C)c(NC(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000455496596 822666013 /nfs/dbraw/zinc/66/60/13/822666013.db2.gz PCEIXZMNUQENQO-SJORKVTESA-N 1 2 393.409 4.365 20 0 GIADLO Cc1cc(C)c(NC(=O)NC(C)(C)COc2ncccc2C(F)(F)F)c(C)[nH+]1 ZINC000455501343 822666885 /nfs/dbraw/zinc/66/68/85/822666885.db2.gz UJYYLKKHQOFGKK-UHFFFAOYSA-N 1 2 396.413 4.400 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nn1-c1cccc(Cl)c1 ZINC000180349452 822667967 /nfs/dbraw/zinc/66/79/67/822667967.db2.gz GXMQSSWRXLYEAE-KBXCAEBGSA-N 1 2 398.898 4.146 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000455526297 822670718 /nfs/dbraw/zinc/67/07/18/822670718.db2.gz NBXBLKCVNKWGME-NJYVYQBISA-N 1 2 380.536 4.283 20 0 GIADLO Cc1cc(C)c(NC(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)c(C)[nH+]1 ZINC000455528697 822670903 /nfs/dbraw/zinc/67/09/03/822670903.db2.gz RBUJDORGMUHJHZ-YOEHRIQHSA-N 1 2 393.409 4.365 20 0 GIADLO COc1ccc(CCN(CC(C)C)C(=O)NCc2c[nH+]c(C)cc2C)cc1OC ZINC000455535799 822671909 /nfs/dbraw/zinc/67/19/09/822671909.db2.gz BJUOVXNPOKJHLW-UHFFFAOYSA-N 1 2 399.535 4.126 20 0 GIADLO COC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)o1 ZINC000184666624 822672959 /nfs/dbraw/zinc/67/29/59/822672959.db2.gz NINXJNVWCDQVAX-OAQYLSRUSA-N 1 2 399.512 4.207 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000180434105 822681087 /nfs/dbraw/zinc/68/10/87/822681087.db2.gz QTIUNDMYZFZACE-OAHLLOKOSA-N 1 2 387.911 4.087 20 0 GIADLO CC(C)c1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)cs1 ZINC000184724979 822682252 /nfs/dbraw/zinc/68/22/52/822682252.db2.gz LEXXTLLBTSPJJH-LLVKDONJSA-N 1 2 382.327 4.318 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(C)o1 ZINC000184736433 822683814 /nfs/dbraw/zinc/68/38/14/822683814.db2.gz YGIAVCKZUZAAQB-CYBMUJFWSA-N 1 2 391.682 4.464 20 0 GIADLO O=C(CC1CCCC1)NC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000180487177 822689896 /nfs/dbraw/zinc/68/98/96/822689896.db2.gz XPDAJXTWEIOZND-UHFFFAOYSA-N 1 2 397.332 4.249 20 0 GIADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000455666652 822695505 /nfs/dbraw/zinc/69/55/05/822695505.db2.gz NDVPAANBDIRRFG-FQEVSTJZSA-N 1 2 387.483 4.004 20 0 GIADLO Cc1ccc(C(=O)CCCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000184837488 822697901 /nfs/dbraw/zinc/69/79/01/822697901.db2.gz BAZUWKUVDANGSM-UHFFFAOYSA-N 1 2 379.504 4.050 20 0 GIADLO C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000184845091 822699349 /nfs/dbraw/zinc/69/93/49/822699349.db2.gz XJDQEHBKNLMVMG-HNNXBMFYSA-N 1 2 379.485 4.131 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)o1 ZINC000184844922 822699353 /nfs/dbraw/zinc/69/93/53/822699353.db2.gz FWSBZNKMRSROAO-YJBOKZPZSA-N 1 2 384.476 4.085 20 0 GIADLO O=C(C1c2ccccc2Oc2ccccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000049412242 822700587 /nfs/dbraw/zinc/70/05/87/822700587.db2.gz VWDFEGBRRGBDFZ-UHFFFAOYSA-N 1 2 390.508 4.330 20 0 GIADLO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ncc(-c2ccccc2)o1 ZINC000184872699 822704756 /nfs/dbraw/zinc/70/47/56/822704756.db2.gz MSHMPTZTEJZFAE-GJZGRUSLSA-N 1 2 399.441 4.490 20 0 GIADLO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184873754 822704955 /nfs/dbraw/zinc/70/49/55/822704955.db2.gz AGJHGEAKWMLHEQ-HOTGVXAUSA-N 1 2 379.460 4.418 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccc2c(c1)OCCO2 ZINC000184875332 822705157 /nfs/dbraw/zinc/70/51/57/822705157.db2.gz LMOCEEQDPNCCLE-QWRGUYRKSA-N 1 2 396.256 4.477 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1OC ZINC000184890525 822708198 /nfs/dbraw/zinc/70/81/98/822708198.db2.gz KUDUZZKFJYTFDO-CABCVRRESA-N 1 2 395.459 4.037 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184904249 822710616 /nfs/dbraw/zinc/71/06/16/822710616.db2.gz KYTGYJLPMXWDOT-GJZGRUSLSA-N 1 2 377.444 4.222 20 0 GIADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)o1 ZINC000180606925 822710999 /nfs/dbraw/zinc/71/09/99/822710999.db2.gz KBTBQVUTMHOVCZ-AWEZNQCLSA-N 1 2 382.439 4.435 20 0 GIADLO O=C(Nc1ccccc1OCCF)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000455717942 822712473 /nfs/dbraw/zinc/71/24/73/822712473.db2.gz ARXYJQQEDOQYNS-TZIWHRDSSA-N 1 2 394.450 4.282 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000049974284 822712890 /nfs/dbraw/zinc/71/28/90/822712890.db2.gz ZFJKHWMBAOXWPT-BTYIYWSLSA-N 1 2 380.444 4.003 20 0 GIADLO CC[C@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccc2c(c1)OCCO2 ZINC000180621612 822714350 /nfs/dbraw/zinc/71/43/50/822714350.db2.gz LTZTZXWBHGQVOB-INIZCTEOSA-N 1 2 387.386 4.027 20 0 GIADLO CCc1nc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cs1 ZINC000184997620 822723422 /nfs/dbraw/zinc/72/34/22/822723422.db2.gz OMIWYIKVTUXTHC-WCQYABFASA-N 1 2 383.439 4.180 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(Br)cc2Cl)c1C ZINC000050447955 822729645 /nfs/dbraw/zinc/72/96/45/822729645.db2.gz GNTVZBPRWFOWQB-UHFFFAOYSA-N 1 2 383.673 4.053 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1nccs1 ZINC000185058258 822730453 /nfs/dbraw/zinc/73/04/53/822730453.db2.gz MNQVAPPXZYTZHB-FZMZJTMJSA-N 1 2 390.509 4.474 20 0 GIADLO CC(C)OC(=O)c1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000185071077 822732664 /nfs/dbraw/zinc/73/26/64/822732664.db2.gz TZABRJPFUOKXIL-AWEZNQCLSA-N 1 2 383.423 4.292 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)NCc1ccccc1COc1ccccc1)c1nccs1 ZINC000185081434 822734395 /nfs/dbraw/zinc/73/43/95/822734395.db2.gz REBMALYPRBINPE-HXUWFJFHSA-N 1 2 395.528 4.079 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@H+](C)Cc3ccc(OC)cc3)cs2)cc1 ZINC000050958550 822743194 /nfs/dbraw/zinc/74/31/94/822743194.db2.gz QOYQJMKGQCSLOM-UHFFFAOYSA-N 1 2 382.485 4.237 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@@H+](C)Cc3ccc(OC)cc3)cs2)cc1 ZINC000050958550 822743197 /nfs/dbraw/zinc/74/31/97/822743197.db2.gz QOYQJMKGQCSLOM-UHFFFAOYSA-N 1 2 382.485 4.237 20 0 GIADLO Cc1cc(O[C@H](C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)ccc1Cl ZINC000051035628 822744548 /nfs/dbraw/zinc/74/45/48/822744548.db2.gz TXHKOXIQBHBKJK-QGZVFWFLSA-N 1 2 397.906 4.019 20 0 GIADLO Cc1ccc(C(=O)NC2CC[NH+](Cc3csc(Br)c3)CC2)s1 ZINC000051098207 822746444 /nfs/dbraw/zinc/74/64/44/822746444.db2.gz VNYHHKMPXFNJAN-UHFFFAOYSA-N 1 2 399.379 4.275 20 0 GIADLO Cc1ccc(NC(=O)[C@H]([NH2+]CC(=O)Nc2cccc(F)c2)c2ccccc2)cc1 ZINC000051164775 822748813 /nfs/dbraw/zinc/74/88/13/822748813.db2.gz FISZKYKVLIGGAT-JOCHJYFZSA-N 1 2 391.446 4.042 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 ZINC000455917030 822748840 /nfs/dbraw/zinc/74/88/40/822748840.db2.gz CZUWMYHMIFYKII-CYBMUJFWSA-N 1 2 399.495 4.157 20 0 GIADLO CC(C)(C)OCc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)no1 ZINC000185202448 822749066 /nfs/dbraw/zinc/74/90/66/822749066.db2.gz ORAREJLIWDYOFC-UHFFFAOYSA-N 1 2 394.475 4.442 20 0 GIADLO O=C(NCc1cccc(OC(F)F)c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000051190534 822750137 /nfs/dbraw/zinc/75/01/37/822750137.db2.gz HAEBXCOMDOCXLP-UHFFFAOYSA-N 1 2 396.463 4.052 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000185219895 822750731 /nfs/dbraw/zinc/75/07/31/822750731.db2.gz OUMQBCMMJVVUOK-CHWSQXEVSA-N 1 2 375.325 4.171 20 0 GIADLO CN(C)c1ccncc1C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000185225378 822751584 /nfs/dbraw/zinc/75/15/84/822751584.db2.gz ZFZBTLWPAZTZKE-UHFFFAOYSA-N 1 2 388.231 4.219 20 0 GIADLO CN(C)c1cc[nH+]cc1CNCc1ccc(Br)cc1C(F)(F)F ZINC000185225378 822751586 /nfs/dbraw/zinc/75/15/86/822751586.db2.gz ZFZBTLWPAZTZKE-UHFFFAOYSA-N 1 2 388.231 4.219 20 0 GIADLO Cc1nc(NC(=O)NCc2cn3c([nH+]2)CCCC3)sc1Cc1ccccc1F ZINC000455939425 822753626 /nfs/dbraw/zinc/75/36/26/822753626.db2.gz YWNSYCDDEGANHE-UHFFFAOYSA-N 1 2 399.495 4.036 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1C ZINC000051334276 822756464 /nfs/dbraw/zinc/75/64/64/822756464.db2.gz YDNOAOINDWTOEY-UHFFFAOYSA-N 1 2 383.467 4.235 20 0 GIADLO O=C(Nc1cc(Cl)cc(Br)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000455963547 822757945 /nfs/dbraw/zinc/75/79/45/822757945.db2.gz AVXRYXBULIWCLF-JTQLQIEISA-N 1 2 383.677 4.237 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000455964551 822758307 /nfs/dbraw/zinc/75/83/07/822758307.db2.gz CZJRYFXVAWFAPS-XHDPSFHLSA-N 1 2 397.704 4.414 20 0 GIADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000455964968 822758314 /nfs/dbraw/zinc/75/83/14/822758314.db2.gz DKNXDVAAWTXVGF-NSHDSACASA-N 1 2 397.704 4.248 20 0 GIADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C2CC2)n1 ZINC000455999195 822764298 /nfs/dbraw/zinc/76/42/98/822764298.db2.gz KXJTWKZDNSXIAH-UYAOXDASSA-N 1 2 387.886 4.235 20 0 GIADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C2CC2)n1 ZINC000455999195 822764301 /nfs/dbraw/zinc/76/43/01/822764301.db2.gz KXJTWKZDNSXIAH-UYAOXDASSA-N 1 2 387.886 4.235 20 0 GIADLO CC(C)c1noc(CCC[NH2+][C@H](C)c2cc(Br)cc(F)c2O)n1 ZINC000185319394 822765370 /nfs/dbraw/zinc/76/53/70/822765370.db2.gz AAOCLFIKVZSFBW-SNVBAGLBSA-N 1 2 386.265 4.084 20 0 GIADLO Cc1cc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)ccc1C(F)(F)F ZINC000174296770 822766077 /nfs/dbraw/zinc/76/60/77/822766077.db2.gz DNSMQJJZNWFRBQ-OAHLLOKOSA-N 1 2 392.425 4.320 20 0 GIADLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000185388653 822777023 /nfs/dbraw/zinc/77/70/23/822777023.db2.gz CQOYSHHDZWLCFJ-CABCVRRESA-N 1 2 380.579 4.262 20 0 GIADLO C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)Cc1ccsc1 ZINC000051882564 822781890 /nfs/dbraw/zinc/78/18/90/822781890.db2.gz HVEHPIIACODVSI-NRFANRHFSA-N 1 2 382.554 4.416 20 0 GIADLO C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)Cc1ccsc1 ZINC000051882564 822781892 /nfs/dbraw/zinc/78/18/92/822781892.db2.gz HVEHPIIACODVSI-NRFANRHFSA-N 1 2 382.554 4.416 20 0 GIADLO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185434935 822783473 /nfs/dbraw/zinc/78/34/73/822783473.db2.gz BZKPDWHZQKBGEO-JOCHJYFZSA-N 1 2 381.451 4.040 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000174396815 822783984 /nfs/dbraw/zinc/78/39/84/822783984.db2.gz JXWYWTVMMHCKHQ-KRWDZBQOSA-N 1 2 384.524 4.301 20 0 GIADLO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000051991753 822786052 /nfs/dbraw/zinc/78/60/52/822786052.db2.gz SRUKFAWUMNKPLZ-SFHVURJKSA-N 1 2 382.504 4.182 20 0 GIADLO Cc1ccc(OC2CC[NH+](Cc3csc(-c4ncccn4)n3)CC2)cc1C ZINC000051992672 822786292 /nfs/dbraw/zinc/78/62/92/822786292.db2.gz AASYTQJUAFAQRA-UHFFFAOYSA-N 1 2 380.517 4.260 20 0 GIADLO Cc1ccccc1-c1nnc(SCCCn2cc[nH+]c2)n1Cc1ccco1 ZINC000185463628 822787368 /nfs/dbraw/zinc/78/73/68/822787368.db2.gz KSITXSCHVJSXIN-UHFFFAOYSA-N 1 2 379.489 4.274 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(O)(c3ccccc3)CC2)c(Cl)c1 ZINC000185479790 822788993 /nfs/dbraw/zinc/78/89/93/822788993.db2.gz QMYKOWXZYMHJLN-KRWDZBQOSA-N 1 2 386.923 4.267 20 0 GIADLO COc1ccc(-c2nnc(C[N@H+](C)Cc3cccc(C(F)(F)F)c3)o2)cc1 ZINC000052047900 822789003 /nfs/dbraw/zinc/78/90/03/822789003.db2.gz KHWNCEZYJSMXLJ-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO COc1ccc(-c2nnc(C[N@@H+](C)Cc3cccc(C(F)(F)F)c3)o2)cc1 ZINC000052047900 822789004 /nfs/dbraw/zinc/78/90/04/822789004.db2.gz KHWNCEZYJSMXLJ-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1cccc(Cl)c1 ZINC000174451784 822791621 /nfs/dbraw/zinc/79/16/21/822791621.db2.gz LUUNCIJUKFGPER-UHFFFAOYSA-N 1 2 386.927 4.183 20 0 GIADLO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000052186604 822792788 /nfs/dbraw/zinc/79/27/88/822792788.db2.gz IWRCLCJVSCUECD-UHFFFAOYSA-N 1 2 385.321 4.059 20 0 GIADLO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(Br)cc(F)c1O ZINC000185525804 822793443 /nfs/dbraw/zinc/79/34/43/822793443.db2.gz YRGTYJYCTYUSSR-JSGCOSHPSA-N 1 2 382.273 4.111 20 0 GIADLO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000052282175 822795668 /nfs/dbraw/zinc/79/56/68/822795668.db2.gz CPLGPRFKLJXDAP-IBGZPJMESA-N 1 2 389.499 4.411 20 0 GIADLO O=C(Nc1cccc(Oc2ccccn2)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000174505204 822798208 /nfs/dbraw/zinc/79/82/08/822798208.db2.gz XLCLELZOBOXCEN-UHFFFAOYSA-N 1 2 389.459 4.059 20 0 GIADLO COc1cc([C@H](C)Nc2[nH+]cnc3c2cnn3C)ccc1OCc1ccccc1 ZINC000052472960 822800947 /nfs/dbraw/zinc/80/09/47/822800947.db2.gz BJHAAVARPNRNDN-HNNXBMFYSA-N 1 2 389.459 4.124 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2-c2ccccc2)ccc1O ZINC000174541659 822803142 /nfs/dbraw/zinc/80/31/42/822803142.db2.gz MFPRKDNOTCNLIC-UHFFFAOYSA-N 1 2 376.456 4.138 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2-c2ccccc2)ccc1O ZINC000174541659 822803145 /nfs/dbraw/zinc/80/31/45/822803145.db2.gz MFPRKDNOTCNLIC-UHFFFAOYSA-N 1 2 376.456 4.138 20 0 GIADLO Clc1ccc(-n2c(SCCCn3cc[nH+]c3)nnc2-c2cccnc2)cc1 ZINC000185621463 822803249 /nfs/dbraw/zinc/80/32/49/822803249.db2.gz OHRPTJXTSMPBML-UHFFFAOYSA-N 1 2 396.907 4.362 20 0 GIADLO CCO[C@@H](C)c1nc(C[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cs1 ZINC000185629327 822804078 /nfs/dbraw/zinc/80/40/78/822804078.db2.gz GYKMGSRFGQBNNZ-MFKMUULPSA-N 1 2 390.475 4.467 20 0 GIADLO CC(C)c1ccnc(N2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)n1 ZINC000185657711 822807496 /nfs/dbraw/zinc/80/74/96/822807496.db2.gz KEEBODBMFFCEKL-UHFFFAOYSA-N 1 2 385.562 4.107 20 0 GIADLO Cc1ccccc1C(=O)NC1CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000052746522 822809204 /nfs/dbraw/zinc/80/92/04/822809204.db2.gz VXTPKWCMMIQWDD-OAHLLOKOSA-N 1 2 396.516 4.062 20 0 GIADLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000174594565 822809529 /nfs/dbraw/zinc/80/95/29/822809529.db2.gz NRLQTCGBILDOHC-UHFFFAOYSA-N 1 2 380.513 4.039 20 0 GIADLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000174594565 822809532 /nfs/dbraw/zinc/80/95/32/822809532.db2.gz NRLQTCGBILDOHC-UHFFFAOYSA-N 1 2 380.513 4.039 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1Cl ZINC000052803744 822811223 /nfs/dbraw/zinc/81/12/23/822811223.db2.gz HHTIRMBEDWNPSF-OAHLLOKOSA-N 1 2 380.897 4.194 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1Cl ZINC000052803744 822811228 /nfs/dbraw/zinc/81/12/28/822811228.db2.gz HHTIRMBEDWNPSF-OAHLLOKOSA-N 1 2 380.897 4.194 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847893 822812813 /nfs/dbraw/zinc/81/28/13/822812813.db2.gz SGVHKLBRIBLYCG-VIFPVBQESA-N 1 2 389.265 4.248 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847893 822812816 /nfs/dbraw/zinc/81/28/16/822812816.db2.gz SGVHKLBRIBLYCG-VIFPVBQESA-N 1 2 389.265 4.248 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1O ZINC000174625017 822814025 /nfs/dbraw/zinc/81/40/25/822814025.db2.gz OZJUAVIOZXUUQB-NSHDSACASA-N 1 2 383.275 4.167 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1O ZINC000174625017 822814028 /nfs/dbraw/zinc/81/40/28/822814028.db2.gz OZJUAVIOZXUUQB-NSHDSACASA-N 1 2 383.275 4.167 20 0 GIADLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(F)cc2F)c2ccccc2)c1 ZINC000174630774 822814725 /nfs/dbraw/zinc/81/47/25/822814725.db2.gz RGIIUNFPSZXDCL-NRFANRHFSA-N 1 2 387.451 4.248 20 0 GIADLO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000185826337 822824813 /nfs/dbraw/zinc/82/48/13/822824813.db2.gz BDOKCVNTMCMALO-GTNSWQLSSA-N 1 2 398.272 4.077 20 0 GIADLO CCCOc1c(C[NH2+]Cc2nc3cc(OC)ccc3n2C)cccc1OCC ZINC000185832615 822825433 /nfs/dbraw/zinc/82/54/33/822825433.db2.gz BCGNJYYFOAKVQC-UHFFFAOYSA-N 1 2 383.492 4.059 20 0 GIADLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC[NH+](Cc2ccco2)CC1 ZINC000053215945 822826368 /nfs/dbraw/zinc/82/63/68/822826368.db2.gz HZDFNABXNIQWCG-UHFFFAOYSA-N 1 2 389.761 4.182 20 0 GIADLO O=C(CSc1ccc2ccccc2n1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000053314867 822830137 /nfs/dbraw/zinc/83/01/37/822830137.db2.gz LBLUSCPLWKHMIM-UHFFFAOYSA-N 1 2 384.530 4.018 20 0 GIADLO O=C(Nc1ccc(O)c(F)c1F)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000456783830 822830583 /nfs/dbraw/zinc/83/05/83/822830583.db2.gz LKRZVHVYLDAUJY-CYBMUJFWSA-N 1 2 375.419 4.116 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1nc(C(F)(F)F)cs1 ZINC000185921713 822833752 /nfs/dbraw/zinc/83/37/52/822833752.db2.gz GDDDXCRRIZSZME-JTQLQIEISA-N 1 2 379.354 4.120 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1cccc(C(C)=O)c1)c1nc(C(F)(F)F)cs1 ZINC000185923889 822833979 /nfs/dbraw/zinc/83/39/79/822833979.db2.gz BKKHMKSFLPQEEH-CYBMUJFWSA-N 1 2 385.411 4.044 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 ZINC000174763228 822834065 /nfs/dbraw/zinc/83/40/65/822834065.db2.gz KWFGHHKALHIAIH-UHFFFAOYSA-N 1 2 378.234 4.495 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000185937037 822835201 /nfs/dbraw/zinc/83/52/01/822835201.db2.gz KKMNFPFKSZKIBY-BPCQOVAHSA-N 1 2 377.476 4.240 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000185955076 822836816 /nfs/dbraw/zinc/83/68/16/822836816.db2.gz OFTCHUSKAMXBQH-YPMHNXCESA-N 1 2 383.439 4.180 20 0 GIADLO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000456853919 822838358 /nfs/dbraw/zinc/83/83/58/822838358.db2.gz QQYBIQRHTNUNCU-JOCHJYFZSA-N 1 2 377.463 4.285 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc(Cl)s1 ZINC000174800074 822838927 /nfs/dbraw/zinc/83/89/27/822838927.db2.gz FGAZDXXXJSWBCW-UHFFFAOYSA-N 1 2 392.956 4.245 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1nc(C(F)(F)F)cs1 ZINC000185972012 822839499 /nfs/dbraw/zinc/83/94/99/822839499.db2.gz VTWAUEKJRKTUPU-CYBMUJFWSA-N 1 2 383.439 4.182 20 0 GIADLO Cc1cc(N)nc(SCC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)[nH+]1 ZINC000053562127 822840857 /nfs/dbraw/zinc/84/08/57/822840857.db2.gz VZNZXQSNPVFNDG-QGZVFWFLSA-N 1 2 384.549 4.121 20 0 GIADLO CN(c1ccccc1)c1ccccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000053760133 822847165 /nfs/dbraw/zinc/84/71/65/822847165.db2.gz GZOYPRLRMLABJE-UHFFFAOYSA-N 1 2 378.501 4.151 20 0 GIADLO CN(c1ccccc1)c1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000053760133 822847169 /nfs/dbraw/zinc/84/71/69/822847169.db2.gz GZOYPRLRMLABJE-UHFFFAOYSA-N 1 2 378.501 4.151 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814995 822849346 /nfs/dbraw/zinc/84/93/46/822849346.db2.gz BFHMTUXORBIHGM-CQSZACIVSA-N 1 2 386.879 4.171 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814995 822849350 /nfs/dbraw/zinc/84/93/50/822849350.db2.gz BFHMTUXORBIHGM-CQSZACIVSA-N 1 2 386.879 4.171 20 0 GIADLO CSCc1ccccc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000186077535 822849666 /nfs/dbraw/zinc/84/96/66/822849666.db2.gz UKYSKMRDMVAYFX-UHFFFAOYSA-N 1 2 394.500 4.027 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1csc(CC(C)C)n1 ZINC000174895412 822852128 /nfs/dbraw/zinc/85/21/28/822852128.db2.gz HSDQRLVUZQRDJG-UHFFFAOYSA-N 1 2 386.565 4.115 20 0 GIADLO CCOc1ccc(CCC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000174897753 822852409 /nfs/dbraw/zinc/85/24/09/822852409.db2.gz FOPNUFNVIJEROC-UHFFFAOYSA-N 1 2 395.547 4.178 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)c1cccc(F)c1 ZINC000174898625 822852416 /nfs/dbraw/zinc/85/24/16/822852416.db2.gz NXIOXNJUVAENMZ-UHFFFAOYSA-N 1 2 383.511 4.263 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H](C)c1ccccc1F ZINC000174900885 822852818 /nfs/dbraw/zinc/85/28/18/822852818.db2.gz XRULHAYELVEPHK-GOSISDBHSA-N 1 2 383.511 4.479 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1c[nH]c2ccccc12 ZINC000174909966 822854429 /nfs/dbraw/zinc/85/44/29/822854429.db2.gz COAJOBRSKQFNBR-UHFFFAOYSA-N 1 2 390.531 4.261 20 0 GIADLO COc1cccc(F)c1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000186138466 822854919 /nfs/dbraw/zinc/85/49/19/822854919.db2.gz ULMZMBKLWRNZTN-MJGOQNOKSA-N 1 2 380.423 4.081 20 0 GIADLO CCCOc1cccc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000174914431 822855134 /nfs/dbraw/zinc/85/51/34/822855134.db2.gz MIEDVBRLZSFEIG-UHFFFAOYSA-N 1 2 381.520 4.249 20 0 GIADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1cc(Cl)ccc1Cl ZINC000053984528 822855363 /nfs/dbraw/zinc/85/53/63/822855363.db2.gz SZQAEQXHSIJFFG-UHFFFAOYSA-N 1 2 394.302 4.147 20 0 GIADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccc(Cl)cc1Cl ZINC000053984940 822855436 /nfs/dbraw/zinc/85/54/36/822855436.db2.gz ZKOBNCVJUWEPLF-UHFFFAOYSA-N 1 2 394.302 4.147 20 0 GIADLO C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1nc(C(F)(F)F)cs1 ZINC000174973902 822863083 /nfs/dbraw/zinc/86/30/83/822863083.db2.gz XGMITBVWKQPTTL-HNNXBMFYSA-N 1 2 397.466 4.178 20 0 GIADLO C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1nc(C(F)(F)F)cs1 ZINC000174973902 822863087 /nfs/dbraw/zinc/86/30/87/822863087.db2.gz XGMITBVWKQPTTL-HNNXBMFYSA-N 1 2 397.466 4.178 20 0 GIADLO O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000054136012 822863583 /nfs/dbraw/zinc/86/35/83/822863583.db2.gz WBIMQSGJGNHVJZ-UHFFFAOYSA-N 1 2 397.482 4.384 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[N@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000186239498 822863749 /nfs/dbraw/zinc/86/37/49/822863749.db2.gz ZTODUGVZUUUYMS-HNNXBMFYSA-N 1 2 398.532 4.222 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[N@@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000186239498 822863754 /nfs/dbraw/zinc/86/37/54/822863754.db2.gz ZTODUGVZUUUYMS-HNNXBMFYSA-N 1 2 398.532 4.222 20 0 GIADLO Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224273 822869291 /nfs/dbraw/zinc/86/92/91/822869291.db2.gz LMLRQEDDUFTHKR-UHFFFAOYSA-N 1 2 382.420 4.218 20 0 GIADLO COC(=O)N(C)c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000175054169 822874548 /nfs/dbraw/zinc/87/45/48/822874548.db2.gz DBRIKBCXUWRYKS-FQEVSTJZSA-N 1 2 399.466 4.022 20 0 GIADLO COC(=O)N(C)c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000175054169 822874550 /nfs/dbraw/zinc/87/45/50/822874550.db2.gz DBRIKBCXUWRYKS-FQEVSTJZSA-N 1 2 399.466 4.022 20 0 GIADLO CC(C)Oc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(Cl)c1 ZINC000457445189 822875635 /nfs/dbraw/zinc/87/56/35/822875635.db2.gz CYUBEGBAIIQXQX-UHFFFAOYSA-N 1 2 387.911 4.443 20 0 GIADLO CC[C@@H](CC(F)F)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457451585 822876076 /nfs/dbraw/zinc/87/60/76/822876076.db2.gz QZONXBWSROAAKR-SWLSCSKDSA-N 1 2 376.850 4.414 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C)c4cccc(O)c43)cn2c1 ZINC000186326009 822876657 /nfs/dbraw/zinc/87/66/57/822876657.db2.gz STLPZGUQZPNSCK-HNNXBMFYSA-N 1 2 381.501 4.122 20 0 GIADLO CC(C)COC1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000054324957 822876658 /nfs/dbraw/zinc/87/66/58/822876658.db2.gz LPVABVOAVFSIDI-UHFFFAOYSA-N 1 2 378.513 4.498 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)c1nnc(-c3cccc(Cl)c3)o1)C2 ZINC000054390776 822881119 /nfs/dbraw/zinc/88/11/19/822881119.db2.gz CTLZRWIQPODILV-ZDUSSCGKSA-N 1 2 396.878 4.468 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)c1nnc(-c3cccc(Cl)c3)o1)C2 ZINC000054390776 822881124 /nfs/dbraw/zinc/88/11/24/822881124.db2.gz CTLZRWIQPODILV-ZDUSSCGKSA-N 1 2 396.878 4.468 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)c1nnc(-c3cccc(C)c3)o1)C2 ZINC000054390925 822881281 /nfs/dbraw/zinc/88/12/81/822881281.db2.gz NKPQFYLPTXEPBJ-HNNXBMFYSA-N 1 2 376.460 4.123 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)c1nnc(-c3cccc(C)c3)o1)C2 ZINC000054390925 822881285 /nfs/dbraw/zinc/88/12/85/822881285.db2.gz NKPQFYLPTXEPBJ-HNNXBMFYSA-N 1 2 376.460 4.123 20 0 GIADLO CCN(C(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C)c1nc2ccccc2s1 ZINC000175124744 822887251 /nfs/dbraw/zinc/88/72/51/822887251.db2.gz QOHRDOKOXZJQAQ-GOSISDBHSA-N 1 2 382.533 4.215 20 0 GIADLO CCN(C(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C)c1nc2ccccc2s1 ZINC000175124744 822887255 /nfs/dbraw/zinc/88/72/55/822887255.db2.gz QOHRDOKOXZJQAQ-GOSISDBHSA-N 1 2 382.533 4.215 20 0 GIADLO CCCc1ccc([C@@H](NC(=O)NCCc2cn(C)c[nH+]2)c2cccs2)cc1 ZINC000457545567 822888453 /nfs/dbraw/zinc/88/84/53/822888453.db2.gz WJWGKQSKWOQRBK-HXUWFJFHSA-N 1 2 382.533 4.065 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000457551508 822889674 /nfs/dbraw/zinc/88/96/74/822889674.db2.gz FNSSIHVMLCUYTP-SELNLUPBSA-N 1 2 388.515 4.408 20 0 GIADLO CC[N@H+](CCc1ccccc1)Cn1nc(-c2ccc(OC)cc2)n(C)c1=S ZINC000054545012 822894328 /nfs/dbraw/zinc/89/43/28/822894328.db2.gz JLZGAPQTOJVBEZ-UHFFFAOYSA-N 1 2 382.533 4.149 20 0 GIADLO CC[N@@H+](CCc1ccccc1)Cn1nc(-c2ccc(OC)cc2)n(C)c1=S ZINC000054545012 822894332 /nfs/dbraw/zinc/89/43/32/822894332.db2.gz JLZGAPQTOJVBEZ-UHFFFAOYSA-N 1 2 382.533 4.149 20 0 GIADLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)cn1 ZINC000569247330 822896386 /nfs/dbraw/zinc/89/63/86/822896386.db2.gz KELFSSNHBIVZNS-KRWDZBQOSA-N 1 2 390.965 4.487 20 0 GIADLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)cn1 ZINC000569247330 822896389 /nfs/dbraw/zinc/89/63/89/822896389.db2.gz KELFSSNHBIVZNS-KRWDZBQOSA-N 1 2 390.965 4.487 20 0 GIADLO Cc1ccccc1C(C)(C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000457614867 822897549 /nfs/dbraw/zinc/89/75/49/822897549.db2.gz MKRZZBLCFYNEKD-UHFFFAOYSA-N 1 2 376.504 4.017 20 0 GIADLO CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000175181325 822898892 /nfs/dbraw/zinc/89/88/92/822898892.db2.gz WLKRTMCOGVEGSS-NRFANRHFSA-N 1 2 380.536 4.235 20 0 GIADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Cl)cc3)n2C)c1 ZINC000186461777 822899337 /nfs/dbraw/zinc/89/93/37/822899337.db2.gz XIMSFXQDECAERG-CYBMUJFWSA-N 1 2 386.883 4.004 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)N[C@H](c1cccs1)c1ccccc1 ZINC000569274689 822899886 /nfs/dbraw/zinc/89/98/86/822899886.db2.gz MSGZWVNNWIHSOB-UGKGYDQZSA-N 1 2 377.513 4.186 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)N[C@H](c1cccs1)c1ccccc1 ZINC000569274689 822899889 /nfs/dbraw/zinc/89/98/89/822899889.db2.gz MSGZWVNNWIHSOB-UGKGYDQZSA-N 1 2 377.513 4.186 20 0 GIADLO NC(=O)c1ccc(C[N@@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000186506246 822906076 /nfs/dbraw/zinc/90/60/76/822906076.db2.gz RSJGNGWFHYBQMS-QGZVFWFLSA-N 1 2 380.435 4.094 20 0 GIADLO NC(=O)c1ccc(C[N@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000186506246 822906081 /nfs/dbraw/zinc/90/60/81/822906081.db2.gz RSJGNGWFHYBQMS-QGZVFWFLSA-N 1 2 380.435 4.094 20 0 GIADLO COc1cc(C[N@@H+]2CCc3cccc(F)c3C2)ccc1OCc1ccncc1 ZINC000569325445 822907885 /nfs/dbraw/zinc/90/78/85/822907885.db2.gz GSNCRUJPZNZDTP-UHFFFAOYSA-N 1 2 378.447 4.367 20 0 GIADLO COc1cc(C[N@H+]2CCc3cccc(F)c3C2)ccc1OCc1ccncc1 ZINC000569325445 822907887 /nfs/dbraw/zinc/90/78/87/822907887.db2.gz GSNCRUJPZNZDTP-UHFFFAOYSA-N 1 2 378.447 4.367 20 0 GIADLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)C1CC(C(C)(C)C)C1)CC2 ZINC000457740217 822912986 /nfs/dbraw/zinc/91/29/86/822912986.db2.gz SCKYBRPAAWEFMU-JCYILVPMSA-N 1 2 375.582 4.028 20 0 GIADLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)C1CC(C(C)(C)C)C1)CC2 ZINC000457740217 822912990 /nfs/dbraw/zinc/91/29/90/822912990.db2.gz SCKYBRPAAWEFMU-JCYILVPMSA-N 1 2 375.582 4.028 20 0 GIADLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1CC(C(C)(C)C)C1)CC2 ZINC000457740222 822913020 /nfs/dbraw/zinc/91/30/20/822913020.db2.gz SCKYBRPAAWEFMU-OFLPRAFFSA-N 1 2 375.582 4.028 20 0 GIADLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1CC(C(C)(C)C)C1)CC2 ZINC000457740222 822913025 /nfs/dbraw/zinc/91/30/25/822913025.db2.gz SCKYBRPAAWEFMU-OFLPRAFFSA-N 1 2 375.582 4.028 20 0 GIADLO CN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000457761555 822915991 /nfs/dbraw/zinc/91/59/91/822915991.db2.gz AYXHAZSGXWUFDW-PKTZIBPZSA-N 1 2 388.515 4.409 20 0 GIADLO C[C@@](Cc1ccccc1)(NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000457775095 822918097 /nfs/dbraw/zinc/91/80/97/822918097.db2.gz MSMVDCJNMQDAMR-DEOSSOPVSA-N 1 2 388.515 4.142 20 0 GIADLO O=C(Nc1c(-c2cccs2)nc2ccccn21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000569412796 822918942 /nfs/dbraw/zinc/91/89/42/822918942.db2.gz JVTZEVJGLKZQAB-UHFFFAOYSA-N 1 2 392.488 4.197 20 0 GIADLO O=C(Nc1c(-c2cccs2)nc2ccccn21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000569412796 822918943 /nfs/dbraw/zinc/91/89/43/822918943.db2.gz JVTZEVJGLKZQAB-UHFFFAOYSA-N 1 2 392.488 4.197 20 0 GIADLO CCOc1ccc(CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000569462518 822926008 /nfs/dbraw/zinc/92/60/08/822926008.db2.gz YUJUQVONAIBARJ-HNNXBMFYSA-N 1 2 398.894 4.485 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000569486266 822928454 /nfs/dbraw/zinc/92/84/54/822928454.db2.gz SUELAKDCSMBWMQ-FQEVSTJZSA-N 1 2 380.879 4.241 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000186656510 822930674 /nfs/dbraw/zinc/93/06/74/822930674.db2.gz BOSMHUUJXNHDDN-UHFFFAOYSA-N 1 2 391.437 4.432 20 0 GIADLO CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)c1cccs1 ZINC000186662089 822932012 /nfs/dbraw/zinc/93/20/12/822932012.db2.gz GXJODVCVGTZFNX-RBBKRZOGSA-N 1 2 384.545 4.083 20 0 GIADLO CC(C)(C)[C@@H](NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12)c1cccs1 ZINC000186662089 822932017 /nfs/dbraw/zinc/93/20/17/822932017.db2.gz GXJODVCVGTZFNX-RBBKRZOGSA-N 1 2 384.545 4.083 20 0 GIADLO COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1SC ZINC000457905785 822932180 /nfs/dbraw/zinc/93/21/80/822932180.db2.gz VBFRGHSTGUQYLB-IBGZPJMESA-N 1 2 388.558 4.146 20 0 GIADLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1SC ZINC000457905788 822932197 /nfs/dbraw/zinc/93/21/97/822932197.db2.gz VBFRGHSTGUQYLB-LJQANCHMSA-N 1 2 388.558 4.146 20 0 GIADLO Cc1nc(-c2cccc(-c3noc(-c4cc(-n5cc[nH+]c5)ccn4)n3)c2)cs1 ZINC000569527301 822934631 /nfs/dbraw/zinc/93/46/31/822934631.db2.gz PPZZCXZBQQUBTO-UHFFFAOYSA-N 1 2 386.440 4.416 20 0 GIADLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+](C)Cc2ccoc2C)cs1 ZINC000055054151 822935306 /nfs/dbraw/zinc/93/53/06/822935306.db2.gz WEDRPAUZSGJCAO-UHFFFAOYSA-N 1 2 381.501 4.041 20 0 GIADLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+](C)Cc2ccoc2C)cs1 ZINC000055054151 822935314 /nfs/dbraw/zinc/93/53/14/822935314.db2.gz WEDRPAUZSGJCAO-UHFFFAOYSA-N 1 2 381.501 4.041 20 0 GIADLO O=C(C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1Cc1ccccc1 ZINC000186687392 822937420 /nfs/dbraw/zinc/93/74/20/822937420.db2.gz WTQHYEPYUUJDCA-SANMLTNESA-N 1 2 398.506 4.347 20 0 GIADLO O=C(C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1Cc1ccccc1 ZINC000186687392 822937422 /nfs/dbraw/zinc/93/74/22/822937422.db2.gz WTQHYEPYUUJDCA-SANMLTNESA-N 1 2 398.506 4.347 20 0 GIADLO Fc1cc(Br)cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1F ZINC000569608666 822943975 /nfs/dbraw/zinc/94/39/75/822943975.db2.gz MRAUOSHJYBZWNO-SFHVURJKSA-N 1 2 380.232 4.359 20 0 GIADLO Fc1cc(Br)cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1F ZINC000569608666 822943976 /nfs/dbraw/zinc/94/39/76/822943976.db2.gz MRAUOSHJYBZWNO-SFHVURJKSA-N 1 2 380.232 4.359 20 0 GIADLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000569627358 822946796 /nfs/dbraw/zinc/94/67/96/822946796.db2.gz NBCBHXJNMBPPRG-VXGBXAGGSA-N 1 2 383.439 4.253 20 0 GIADLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000569627358 822946800 /nfs/dbraw/zinc/94/68/00/822946800.db2.gz NBCBHXJNMBPPRG-VXGBXAGGSA-N 1 2 383.439 4.253 20 0 GIADLO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175364415 822947171 /nfs/dbraw/zinc/94/71/71/822947171.db2.gz PEFFGVCKWONLTI-ZHRRBRCNSA-N 1 2 392.478 4.193 20 0 GIADLO CCOc1ccc(OCC)c(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000055255013 822948193 /nfs/dbraw/zinc/94/81/93/822948193.db2.gz JOVQOLLWJUGXLY-UHFFFAOYSA-N 1 2 399.516 4.312 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)c3ccc(F)cc3F)cn2c1 ZINC000055254649 822948217 /nfs/dbraw/zinc/94/82/17/822948217.db2.gz HJLJXNZRXXCKHL-CYBMUJFWSA-N 1 2 375.444 4.032 20 0 GIADLO COc1cc(C)c(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1F ZINC000186741480 822948235 /nfs/dbraw/zinc/94/82/35/822948235.db2.gz BYJGDXFHNRRBDX-PZJWPPBQSA-N 1 2 394.450 4.390 20 0 GIADLO Cc1nc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000569672469 822953561 /nfs/dbraw/zinc/95/35/61/822953561.db2.gz KTVNBTTUOWEMEB-AGKSTNPPSA-N 1 2 376.884 4.072 20 0 GIADLO Cc1nc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000569672469 822953563 /nfs/dbraw/zinc/95/35/63/822953563.db2.gz KTVNBTTUOWEMEB-AGKSTNPPSA-N 1 2 376.884 4.072 20 0 GIADLO CC1(C)C[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c2ccc(F)cc2O1 ZINC000569687799 822955347 /nfs/dbraw/zinc/95/53/47/822955347.db2.gz RRKGOURHINUAOW-MOPGFXCFSA-N 1 2 393.462 4.489 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(NC)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569690953 822955694 /nfs/dbraw/zinc/95/56/94/822955694.db2.gz WQRXDICLIUKXIL-WMLDXEAASA-N 1 2 381.904 4.148 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(NC)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569690953 822955695 /nfs/dbraw/zinc/95/56/95/822955695.db2.gz WQRXDICLIUKXIL-WMLDXEAASA-N 1 2 381.904 4.148 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175390541 822956410 /nfs/dbraw/zinc/95/64/10/822956410.db2.gz SNOOUXTVVVEAKC-PWECECGKSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175390541 822956412 /nfs/dbraw/zinc/95/64/12/822956412.db2.gz SNOOUXTVVVEAKC-PWECECGKSA-N 1 2 378.925 4.017 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000175392800 822957155 /nfs/dbraw/zinc/95/71/55/822957155.db2.gz XNHWIJVDFNJKRY-JOCHJYFZSA-N 1 2 390.531 4.302 20 0 GIADLO COc1cc(C)c(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1F ZINC000186803490 822958025 /nfs/dbraw/zinc/95/80/25/822958025.db2.gz AQITUTFWUJWJTF-CQSZACIVSA-N 1 2 377.485 4.115 20 0 GIADLO CCc1sc(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1C ZINC000055425492 822961284 /nfs/dbraw/zinc/96/12/84/822961284.db2.gz ZRKTXWHSMVWYAL-UHFFFAOYSA-N 1 2 379.529 4.125 20 0 GIADLO Cc1ccc(Oc2ccc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)nc2)cc1 ZINC000569786909 822968891 /nfs/dbraw/zinc/96/88/91/822968891.db2.gz ZJFDIVPBENWQEN-LAUBAEHRSA-N 1 2 376.460 4.102 20 0 GIADLO C[C@H](Cn1ncc2ccccc21)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000569818213 822972250 /nfs/dbraw/zinc/97/22/50/822972250.db2.gz ODOLVOCNTPMKBN-MRXNPFEDSA-N 1 2 384.443 4.135 20 0 GIADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175456546 822973653 /nfs/dbraw/zinc/97/36/53/822973653.db2.gz MUAWGEQOQANDKJ-LJQANCHMSA-N 1 2 378.394 4.237 20 0 GIADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175456546 822973655 /nfs/dbraw/zinc/97/36/55/822973655.db2.gz MUAWGEQOQANDKJ-LJQANCHMSA-N 1 2 378.394 4.237 20 0 GIADLO CC(C)[C@H]([NH2+]Cc1cn2ccc(Br)cc2n1)c1nc2ccccc2[nH]1 ZINC000569860787 822977422 /nfs/dbraw/zinc/97/74/22/822977422.db2.gz KDPNMWHZUFBWRB-SFHVURJKSA-N 1 2 398.308 4.460 20 0 GIADLO Cc1nc2ccccc2n1CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000569861928 822977687 /nfs/dbraw/zinc/97/76/87/822977687.db2.gz UVCZFMBKVVZKIK-UHFFFAOYSA-N 1 2 385.471 4.183 20 0 GIADLO COc1ccc([C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c2ccccc2Cl)c(C)c1 ZINC000569864421 822978051 /nfs/dbraw/zinc/97/80/51/822978051.db2.gz OFYXYGQQTKAAOE-QVKFZJNVSA-N 1 2 397.906 4.465 20 0 GIADLO COc1ccc([C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c2ccccc2Cl)c(C)c1 ZINC000569864421 822978054 /nfs/dbraw/zinc/97/80/54/822978054.db2.gz OFYXYGQQTKAAOE-QVKFZJNVSA-N 1 2 397.906 4.465 20 0 GIADLO Cc1c2ccc3ccccc3c2oc1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569897370 822982656 /nfs/dbraw/zinc/98/26/56/822982656.db2.gz WYYZXEHARGCSAD-IYBDPMFKSA-N 1 2 380.488 4.076 20 0 GIADLO Cc1c2ccc3ccccc3c2oc1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569897370 822982659 /nfs/dbraw/zinc/98/26/59/822982659.db2.gz WYYZXEHARGCSAD-IYBDPMFKSA-N 1 2 380.488 4.076 20 0 GIADLO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000186941467 822984031 /nfs/dbraw/zinc/98/40/31/822984031.db2.gz QUMQVRWEECMCMW-WDEREUQCSA-N 1 2 383.261 4.412 20 0 GIADLO Cc1cccc(OCC[N@@H+](C)Cc2csc(CC(=O)Nc3ccccc3)n2)c1 ZINC000175511989 822987564 /nfs/dbraw/zinc/98/75/64/822987564.db2.gz OVLXWBIXRAHVRI-UHFFFAOYSA-N 1 2 395.528 4.144 20 0 GIADLO Cc1cccc(OCC[N@H+](C)Cc2csc(CC(=O)Nc3ccccc3)n2)c1 ZINC000175511989 822987565 /nfs/dbraw/zinc/98/75/65/822987565.db2.gz OVLXWBIXRAHVRI-UHFFFAOYSA-N 1 2 395.528 4.144 20 0 GIADLO C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000569944827 822988348 /nfs/dbraw/zinc/98/83/48/822988348.db2.gz HGNYCBNFYVIYGS-TWOQFEAHSA-N 1 2 393.462 4.493 20 0 GIADLO O=C(Cc1nc(C[N@H+](Cc2ccccc2)C2CC2)cs1)Nc1ccccc1 ZINC000175532190 822992167 /nfs/dbraw/zinc/99/21/67/822992167.db2.gz KMSMTHBIBLETSL-UHFFFAOYSA-N 1 2 377.513 4.489 20 0 GIADLO O=C(Cc1nc(C[N@@H+](Cc2ccccc2)C2CC2)cs1)Nc1ccccc1 ZINC000175532190 822992168 /nfs/dbraw/zinc/99/21/68/822992168.db2.gz KMSMTHBIBLETSL-UHFFFAOYSA-N 1 2 377.513 4.489 20 0 GIADLO COc1ccc(-c2ccncc2)cc1CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000186987441 822992859 /nfs/dbraw/zinc/99/28/59/822992859.db2.gz FIFOAEFMOZUEOH-IBGZPJMESA-N 1 2 388.515 4.031 20 0 GIADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccn2Cc2cccs2)CC1 ZINC000175558527 822997194 /nfs/dbraw/zinc/99/71/94/822997194.db2.gz RDVIARZYQYCKSP-KRWDZBQOSA-N 1 2 397.519 4.256 20 0 GIADLO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000175561254 822997764 /nfs/dbraw/zinc/99/77/64/822997764.db2.gz VSLSDKGMEFMJHJ-VGSWGCGISA-N 1 2 392.478 4.363 20 0 GIADLO C[C@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[C@@H]1c1ccccc1 ZINC000175563046 822998237 /nfs/dbraw/zinc/99/82/37/822998237.db2.gz ZMNURVTUOURQFN-CVDCTZTESA-N 1 2 388.515 4.267 20 0 GIADLO C[C@@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[C@@H]1c1ccccc1 ZINC000175563022 822998267 /nfs/dbraw/zinc/99/82/67/822998267.db2.gz ZMNURVTUOURQFN-XXBNENTESA-N 1 2 388.515 4.267 20 0 GIADLO CC[C@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(C(F)(F)F)c1 ZINC000570097415 823005490 /nfs/dbraw/zinc/00/54/90/823005490.db2.gz CFCDKTFRKVBKEE-KRWDZBQOSA-N 1 2 388.393 4.478 20 0 GIADLO C[C@@H]1C[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC(C)(C)C1 ZINC000570124174 823007918 /nfs/dbraw/zinc/00/79/18/823007918.db2.gz XELJUJBBYCEOOO-AWEZNQCLSA-N 1 2 378.563 4.082 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC(C)(C)C1 ZINC000570124174 823007921 /nfs/dbraw/zinc/00/79/21/823007921.db2.gz XELJUJBBYCEOOO-AWEZNQCLSA-N 1 2 378.563 4.082 20 0 GIADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175657050 823014195 /nfs/dbraw/zinc/01/41/95/823014195.db2.gz IBFFGROACRCOQU-INIZCTEOSA-N 1 2 377.513 4.192 20 0 GIADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175657050 823014199 /nfs/dbraw/zinc/01/41/99/823014199.db2.gz IBFFGROACRCOQU-INIZCTEOSA-N 1 2 377.513 4.192 20 0 GIADLO Cc1ccc(C[S@@](=O)[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c(C)[nH+]1 ZINC000187162282 823019314 /nfs/dbraw/zinc/01/93/14/823019314.db2.gz VRQLTPXJLWQWQM-YMXBGEKHSA-N 1 2 375.881 4.412 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1cc2ccccc2o1 ZINC000175705420 823024295 /nfs/dbraw/zinc/02/42/95/823024295.db2.gz BIXJLBPDLYCXEK-UHFFFAOYSA-N 1 2 392.503 4.276 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000570364917 823029472 /nfs/dbraw/zinc/02/94/72/823029472.db2.gz DCPUHYDSPBOXMX-GWCFXTLKSA-N 1 2 389.418 4.219 20 0 GIADLO CC(C)Oc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000187261943 823032444 /nfs/dbraw/zinc/03/24/44/823032444.db2.gz JKYXVFZLINUKHR-UHFFFAOYSA-N 1 2 388.899 4.313 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000570440990 823038759 /nfs/dbraw/zinc/03/87/59/823038759.db2.gz RWIQRPHOVPXWKR-HSZRJFAPSA-N 1 2 377.463 4.271 20 0 GIADLO O=C(Nc1nc(CC(F)(F)F)cs1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000570478730 823043419 /nfs/dbraw/zinc/04/34/19/823043419.db2.gz PJZHPUOUFVBZGZ-HNNXBMFYSA-N 1 2 383.439 4.241 20 0 GIADLO O=C(Nc1nc(CC(F)(F)F)cs1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000570478730 823043423 /nfs/dbraw/zinc/04/34/23/823043423.db2.gz PJZHPUOUFVBZGZ-HNNXBMFYSA-N 1 2 383.439 4.241 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1F ZINC000060557556 823542171 /nfs/dbraw/zinc/54/21/71/823542171.db2.gz MRJWDNDJACHVGA-GFCCVEGCSA-N 1 2 399.293 4.450 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1F ZINC000060557556 823542176 /nfs/dbraw/zinc/54/21/76/823542176.db2.gz MRJWDNDJACHVGA-GFCCVEGCSA-N 1 2 399.293 4.450 20 0 GIADLO O=C(Cc1cc2c(ccc3ccccc23)o1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000123866573 823547446 /nfs/dbraw/zinc/54/74/46/823547446.db2.gz CKPDVGJXYUJVLW-UHFFFAOYSA-N 1 2 385.467 4.309 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)c(C)[nH+]1 ZINC000411128045 823550301 /nfs/dbraw/zinc/55/03/01/823550301.db2.gz RAMIZBFXEUJONN-JTQLQIEISA-N 1 2 398.265 4.269 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]3c3cccc(F)c3)cn2c1 ZINC000123916298 823551426 /nfs/dbraw/zinc/55/14/26/823551426.db2.gz PYQMFWOENITWBO-IBGZPJMESA-N 1 2 383.492 4.379 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c(C)[nH+]1 ZINC000411146158 823551500 /nfs/dbraw/zinc/55/15/00/823551500.db2.gz MRBTYBPPWJIPFP-SFHVURJKSA-N 1 2 385.483 4.378 20 0 GIADLO CC(C)c1ncc(Cl)c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)n1 ZINC000123971575 823556860 /nfs/dbraw/zinc/55/68/60/823556860.db2.gz MSBDDNIXFGNUOI-UHFFFAOYSA-N 1 2 393.944 4.194 20 0 GIADLO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cn2nc(-c3ccccc3F)ccc2=O)c1 ZINC000124049101 823562968 /nfs/dbraw/zinc/56/29/68/823562968.db2.gz DFBPKTOJLBJMEG-JOCHJYFZSA-N 1 2 377.463 4.461 20 0 GIADLO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cn2nc(-c3ccccc3F)ccc2=O)c1 ZINC000124049101 823562969 /nfs/dbraw/zinc/56/29/69/823562969.db2.gz DFBPKTOJLBJMEG-JOCHJYFZSA-N 1 2 377.463 4.461 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2F)C(C)C)c(C)[nH+]1 ZINC000411359039 823566369 /nfs/dbraw/zinc/56/63/69/823566369.db2.gz QRPLTUPELOPSFS-KRWDZBQOSA-N 1 2 391.874 4.251 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c(C)[nH+]1 ZINC000411384984 823568353 /nfs/dbraw/zinc/56/83/53/823568353.db2.gz OJFOBSNOZUTEJW-UHFFFAOYSA-N 1 2 389.883 4.272 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411416443 823571677 /nfs/dbraw/zinc/57/16/77/823571677.db2.gz OMZMBIIOAFLLEH-HNNXBMFYSA-N 1 2 388.537 4.053 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c(C)[nH+]1 ZINC000411430873 823573423 /nfs/dbraw/zinc/57/34/23/823573423.db2.gz SAHVOUHPWTZIQX-UHFFFAOYSA-N 1 2 385.439 4.045 20 0 GIADLO CCOC(=O)[C@@H]1CC[C@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@@H]1C ZINC000461089528 823574831 /nfs/dbraw/zinc/57/48/31/823574831.db2.gz XGUATKWRFUCSOM-YTQUADARSA-N 1 2 379.504 4.382 20 0 GIADLO CCCCCOc1ccc([C@H](C)[NH2+]Cc2nc(N)c3ccccc3n2)cc1OC ZINC000411444061 823574847 /nfs/dbraw/zinc/57/48/47/823574847.db2.gz DMSSEVFYECIWPH-INIZCTEOSA-N 1 2 394.519 4.471 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)CSc3ccc(F)c(F)c3)n2)CC1 ZINC000061057830 823575910 /nfs/dbraw/zinc/57/59/10/823575910.db2.gz RMSZJXIOGDHBKG-UHFFFAOYSA-N 1 2 397.516 4.384 20 0 GIADLO CC[C@@H]([NH2+]Cc1csc(CC(=O)Nc2ccccc2C)n1)c1c(C)noc1C ZINC000411513362 823582896 /nfs/dbraw/zinc/58/28/96/823582896.db2.gz CXTHDZHDRDSFHW-QGZVFWFLSA-N 1 2 398.532 4.478 20 0 GIADLO C[C@@H]([NH2+]CCC(=O)N[C@H]1CCCc2ccccc21)c1nc(C2CCCCC2)no1 ZINC000411525346 823584787 /nfs/dbraw/zinc/58/47/87/823584787.db2.gz AXMYHKAIDUZSTC-UZLBHIALSA-N 1 2 396.535 4.352 20 0 GIADLO Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000190558032 823586304 /nfs/dbraw/zinc/58/63/04/823586304.db2.gz HZCMCQYXAUICEG-CXAGYDPISA-N 1 2 380.414 4.003 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000190562951 823586816 /nfs/dbraw/zinc/58/68/16/823586816.db2.gz DWLOANTWYQDWIC-IBGZPJMESA-N 1 2 397.567 4.229 20 0 GIADLO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccccc2C)c1C ZINC000411652502 823594566 /nfs/dbraw/zinc/59/45/66/823594566.db2.gz YZBDLALVDQAYTQ-HNNXBMFYSA-N 1 2 396.409 4.193 20 0 GIADLO Brc1ccc([C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C2CC2)s1 ZINC000190654402 823595326 /nfs/dbraw/zinc/59/53/26/823595326.db2.gz FDOVAKNAZAOZHC-QGZVFWFLSA-N 1 2 394.338 4.305 20 0 GIADLO CCn1cnc2c(c1=O)CC[N@@H+]([C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000411666191 823595909 /nfs/dbraw/zinc/59/59/09/823595909.db2.gz MDJKQHDAIIVEPU-NRFANRHFSA-N 1 2 379.891 4.064 20 0 GIADLO CCn1cnc2c(c1=O)CC[N@H+]([C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000411666191 823595913 /nfs/dbraw/zinc/59/59/13/823595913.db2.gz MDJKQHDAIIVEPU-NRFANRHFSA-N 1 2 379.891 4.064 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C(=O)C(C)C)cc3)cc2)c1C ZINC000461212623 823599766 /nfs/dbraw/zinc/59/97/66/823599766.db2.gz JNLKZCBQYBIXPB-UHFFFAOYSA-N 1 2 397.500 4.129 20 0 GIADLO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190729873 823602721 /nfs/dbraw/zinc/60/27/21/823602721.db2.gz ORCZEWQSNJOMHY-CQSZACIVSA-N 1 2 377.510 4.201 20 0 GIADLO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190729873 823602724 /nfs/dbraw/zinc/60/27/24/823602724.db2.gz ORCZEWQSNJOMHY-CQSZACIVSA-N 1 2 377.510 4.201 20 0 GIADLO C[C@H]1Cc2[nH+]cn(Cc3nc(=O)c4c(-c5ccco5)csc4[nH]3)c2C[C@@H]1C ZINC000411797542 823605602 /nfs/dbraw/zinc/60/56/02/823605602.db2.gz RUGNIGXJIINSGM-RYUDHWBXSA-N 1 2 380.473 4.273 20 0 GIADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000411816175 823607875 /nfs/dbraw/zinc/60/78/75/823607875.db2.gz HAFMWKPWJIIVCP-CYBMUJFWSA-N 1 2 382.533 4.320 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N(CCc1ccccc1)C1CCCC1 ZINC000124648623 823614160 /nfs/dbraw/zinc/61/41/60/823614160.db2.gz CESIVPCXIZNTMC-UHFFFAOYSA-N 1 2 392.547 4.379 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)s1 ZINC000411994395 823618901 /nfs/dbraw/zinc/61/89/01/823618901.db2.gz ZICIMARGMPMESA-KRWDZBQOSA-N 1 2 382.407 4.080 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)s1 ZINC000411994395 823618903 /nfs/dbraw/zinc/61/89/03/823618903.db2.gz ZICIMARGMPMESA-KRWDZBQOSA-N 1 2 382.407 4.080 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1C ZINC000411995778 823619402 /nfs/dbraw/zinc/61/94/02/823619402.db2.gz FAALKQCUOWGYNR-GAJHUEQPSA-N 1 2 394.515 4.259 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1C ZINC000411995778 823619405 /nfs/dbraw/zinc/61/94/05/823619405.db2.gz FAALKQCUOWGYNR-GAJHUEQPSA-N 1 2 394.515 4.259 20 0 GIADLO Fc1ccc(-n2ccc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)n2)cc1 ZINC000412002380 823620615 /nfs/dbraw/zinc/62/06/15/823620615.db2.gz UCOFPTMUVABCKJ-JOCHJYFZSA-N 1 2 377.463 4.365 20 0 GIADLO Fc1ccc(-n2ccc(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)n2)cc1 ZINC000412002380 823620617 /nfs/dbraw/zinc/62/06/17/823620617.db2.gz UCOFPTMUVABCKJ-JOCHJYFZSA-N 1 2 377.463 4.365 20 0 GIADLO c1cn(CCc2ccccc2)nc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412008362 823621983 /nfs/dbraw/zinc/62/19/83/823621983.db2.gz FIGIUVQEUIISOQ-XMMPIXPASA-N 1 2 387.527 4.480 20 0 GIADLO c1cn(CCc2ccccc2)nc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412008362 823621986 /nfs/dbraw/zinc/62/19/86/823621986.db2.gz FIGIUVQEUIISOQ-XMMPIXPASA-N 1 2 387.527 4.480 20 0 GIADLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000461367016 823623859 /nfs/dbraw/zinc/62/38/59/823623859.db2.gz QDQHCSZKUQYDQK-MRXNPFEDSA-N 1 2 391.437 4.245 20 0 GIADLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000461367016 823623861 /nfs/dbraw/zinc/62/38/61/823623861.db2.gz QDQHCSZKUQYDQK-MRXNPFEDSA-N 1 2 391.437 4.245 20 0 GIADLO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000412056382 823624498 /nfs/dbraw/zinc/62/44/98/823624498.db2.gz OGKKXYVUUHMAHM-JOCHJYFZSA-N 1 2 393.531 4.368 20 0 GIADLO Oc1ccc(Br)c(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000124794960 823626839 /nfs/dbraw/zinc/62/68/39/823626839.db2.gz ZQPFRRFIIQTESH-UHFFFAOYSA-N 1 2 398.247 4.228 20 0 GIADLO O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000124795815 823626880 /nfs/dbraw/zinc/62/68/80/823626880.db2.gz DIWVGOIOQFUYIR-FCHUYYIVSA-N 1 2 398.470 4.324 20 0 GIADLO CC1(C)C[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ccccc2O1 ZINC000412300879 823644344 /nfs/dbraw/zinc/64/43/44/823644344.db2.gz JQFPSXWVEJQYEC-HXUWFJFHSA-N 1 2 393.531 4.270 20 0 GIADLO Cc1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)c(OCC(F)(F)F)c1 ZINC000125009609 823644794 /nfs/dbraw/zinc/64/47/94/823644794.db2.gz FFCOLSAVDFUPTP-LJQANCHMSA-N 1 2 392.421 4.046 20 0 GIADLO CCCc1c(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cnn1-c1ccc(F)cc1 ZINC000191081793 823646249 /nfs/dbraw/zinc/64/62/49/823646249.db2.gz RFYFEWPFKBULBV-UHFFFAOYSA-N 1 2 389.434 4.402 20 0 GIADLO COC[C@@]1(C)CC(=O)N(C[NH+]2CCC(=Cc3cc(Cl)ccc3Cl)CC2)C1 ZINC000125058564 823648805 /nfs/dbraw/zinc/64/88/05/823648805.db2.gz YCWQMLIRPAZISK-FQEVSTJZSA-N 1 2 397.346 4.315 20 0 GIADLO COc1cc(Br)c(C[NH2+][C@H]2CCOc3c(F)cccc32)c(OC)c1 ZINC000191119714 823651114 /nfs/dbraw/zinc/65/11/14/823651114.db2.gz MPYZGHTUQQBUEI-INIZCTEOSA-N 1 2 396.256 4.219 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cnc(-c2ccccc2F)s1 ZINC000063097942 823651539 /nfs/dbraw/zinc/65/15/39/823651539.db2.gz UDMZAEAUFCEZPJ-UHFFFAOYSA-N 1 2 378.432 4.065 20 0 GIADLO Cc1[nH]c2ccc(NC(=O)CCc3ccc(Br)cc3F)cc2[nH+]1 ZINC000063241040 823656271 /nfs/dbraw/zinc/65/62/71/823656271.db2.gz PSJTWSIGMLIJJD-UHFFFAOYSA-N 1 2 376.229 4.344 20 0 GIADLO CC[C@@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)c1ccc(OC)cc1 ZINC000125194999 823658357 /nfs/dbraw/zinc/65/83/57/823658357.db2.gz AWZDJAZWTJHOLL-LJQANCHMSA-N 1 2 383.517 4.152 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Oc2cccnc2)cc1 ZINC000063293806 823660569 /nfs/dbraw/zinc/66/05/69/823660569.db2.gz ITGYUAVZDIXTGF-UHFFFAOYSA-N 1 2 388.471 4.189 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Oc2cccnc2)cc1 ZINC000063304877 823661502 /nfs/dbraw/zinc/66/15/02/823661502.db2.gz VYKXLJPEDDFJHF-UHFFFAOYSA-N 1 2 388.402 4.129 20 0 GIADLO O=C(N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000412587641 823664686 /nfs/dbraw/zinc/66/46/86/823664686.db2.gz DUTVLMYSJVSBNO-RXVVDRJESA-N 1 2 398.934 4.238 20 0 GIADLO Cc1cc(C(N)=[NH+]OCC(=O)Nc2ccccc2Oc2ccccc2)ccc1F ZINC000063458128 823672547 /nfs/dbraw/zinc/67/25/47/823672547.db2.gz GQXIPDWWCWCWNG-UHFFFAOYSA-N 1 2 393.418 4.202 20 0 GIADLO COc1ccc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)cc1OC ZINC000125391979 823672854 /nfs/dbraw/zinc/67/28/54/823672854.db2.gz KLEFQYLMHMFBFZ-QGZVFWFLSA-N 1 2 383.423 4.230 20 0 GIADLO COc1ccc(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)cc1OC ZINC000125391979 823672856 /nfs/dbraw/zinc/67/28/56/823672856.db2.gz KLEFQYLMHMFBFZ-QGZVFWFLSA-N 1 2 383.423 4.230 20 0 GIADLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4nc(CCC(C)C)no4)CC3)c2c1 ZINC000063507883 823676865 /nfs/dbraw/zinc/67/68/65/823676865.db2.gz YMDGOEGGMAWVTA-UHFFFAOYSA-N 1 2 380.492 4.437 20 0 GIADLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nc(CCC(C)C)no4)CC3)c2c1 ZINC000063507883 823676868 /nfs/dbraw/zinc/67/68/68/823676868.db2.gz YMDGOEGGMAWVTA-UHFFFAOYSA-N 1 2 380.492 4.437 20 0 GIADLO Brc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2c2ccncc2)o1 ZINC000125475593 823679156 /nfs/dbraw/zinc/67/91/56/823679156.db2.gz PGQPPZQVDQBNNT-MRXNPFEDSA-N 1 2 385.265 4.231 20 0 GIADLO Brc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H]2c2ccncc2)o1 ZINC000125475593 823679159 /nfs/dbraw/zinc/67/91/59/823679159.db2.gz PGQPPZQVDQBNNT-MRXNPFEDSA-N 1 2 385.265 4.231 20 0 GIADLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125517795 823682231 /nfs/dbraw/zinc/68/22/31/823682231.db2.gz JBGMAEQMZQSFLU-INIZCTEOSA-N 1 2 396.539 4.072 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCCOc2ccc(F)cc2)n1 ZINC000191446181 823686043 /nfs/dbraw/zinc/68/60/43/823686043.db2.gz JJLGSBGNQWMXLH-QGZVFWFLSA-N 1 2 378.469 4.065 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCCOc2ccc(F)cc2)n1 ZINC000191446181 823686046 /nfs/dbraw/zinc/68/60/46/823686046.db2.gz JJLGSBGNQWMXLH-QGZVFWFLSA-N 1 2 378.469 4.065 20 0 GIADLO C[N@H+](Cc1ncc(-c2ccccc2)o1)[C@H](CO)c1cccc(Br)c1 ZINC000125616235 823690232 /nfs/dbraw/zinc/69/02/32/823690232.db2.gz DRTHCCKEEKGKBU-QGZVFWFLSA-N 1 2 387.277 4.270 20 0 GIADLO C[N@@H+](Cc1ncc(-c2ccccc2)o1)[C@H](CO)c1cccc(Br)c1 ZINC000125616235 823690234 /nfs/dbraw/zinc/69/02/34/823690234.db2.gz DRTHCCKEEKGKBU-QGZVFWFLSA-N 1 2 387.277 4.270 20 0 GIADLO C[N@H+](Cc1coc(-c2cccs2)n1)[C@@H](CO)c1cccc(Br)c1 ZINC000125616974 823690432 /nfs/dbraw/zinc/69/04/32/823690432.db2.gz DEYUUMYHEGTILL-HNNXBMFYSA-N 1 2 393.306 4.331 20 0 GIADLO C[N@@H+](Cc1coc(-c2cccs2)n1)[C@@H](CO)c1cccc(Br)c1 ZINC000125616974 823690433 /nfs/dbraw/zinc/69/04/33/823690433.db2.gz DEYUUMYHEGTILL-HNNXBMFYSA-N 1 2 393.306 4.331 20 0 GIADLO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c21 ZINC000125661384 823694430 /nfs/dbraw/zinc/69/44/30/823694430.db2.gz KBLXMUMXKFRIRE-KBXCAEBGSA-N 1 2 393.491 4.143 20 0 GIADLO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000461788297 823695510 /nfs/dbraw/zinc/69/55/10/823695510.db2.gz KDRNXDRGSQNDEK-OAQYLSRUSA-N 1 2 397.906 4.305 20 0 GIADLO CN1CC[NH+](Cc2cccc(NC(=S)Nc3ccc4ccccc4c3)c2)CC1 ZINC000063794184 823697059 /nfs/dbraw/zinc/69/70/59/823697059.db2.gz UKPCFMWRDGCSDY-UHFFFAOYSA-N 1 2 390.556 4.396 20 0 GIADLO C[C@@H](c1nnc(SCCOCC2CCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000412984685 823697744 /nfs/dbraw/zinc/69/77/44/823697744.db2.gz PWPSBIWOTPFSHL-HNNXBMFYSA-N 1 2 392.544 4.328 20 0 GIADLO C[C@H](c1nnc(SC[C@H]2CCCC[C@@H]2O)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000412988731 823698213 /nfs/dbraw/zinc/69/82/13/823698213.db2.gz YJNBPUCSZLLDBC-CPUCHLNUSA-N 1 2 394.972 4.187 20 0 GIADLO COc1ccc(OCc2ccccn2)c(C[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000125715815 823699576 /nfs/dbraw/zinc/69/95/76/823699576.db2.gz UGKNIPFQTMGDEJ-UHFFFAOYSA-N 1 2 383.879 4.350 20 0 GIADLO COc1ccc(OCc2ccccn2)c(C[N@@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000125715815 823699580 /nfs/dbraw/zinc/69/95/80/823699580.db2.gz UGKNIPFQTMGDEJ-UHFFFAOYSA-N 1 2 383.879 4.350 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)n1 ZINC000191567287 823701090 /nfs/dbraw/zinc/70/10/90/823701090.db2.gz HHOWMXCBEZSDQE-UHFFFAOYSA-N 1 2 397.500 4.354 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cn(C)nc3-c3cccs3)n2)c1 ZINC000191566501 823701106 /nfs/dbraw/zinc/70/11/06/823701106.db2.gz BHMQAJOPXMYZGU-ZDUSSCGKSA-N 1 2 395.488 4.058 20 0 GIADLO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000191568130 823701234 /nfs/dbraw/zinc/70/12/34/823701234.db2.gz SOAORTXJZJQJMT-KGLIPLIRSA-N 1 2 392.931 4.108 20 0 GIADLO COC1CCC(CCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000574321489 823702266 /nfs/dbraw/zinc/70/22/66/823702266.db2.gz FHTVZIGIRGNEQF-UHFFFAOYSA-N 1 2 394.519 4.319 20 0 GIADLO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000191581672 823704152 /nfs/dbraw/zinc/70/41/52/823704152.db2.gz KCQWQKIREQKLMA-GJZGRUSLSA-N 1 2 386.496 4.194 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3cc(Cl)ccc3Cl)[nH+]cn2)C1 ZINC000413098936 823706682 /nfs/dbraw/zinc/70/66/82/823706682.db2.gz QRUBXFXCMYQERW-AVGNSLFASA-N 1 2 381.307 4.164 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3cc(Cl)ccc3Cl)nc[nH+]2)C1 ZINC000413098936 823706685 /nfs/dbraw/zinc/70/66/85/823706685.db2.gz QRUBXFXCMYQERW-AVGNSLFASA-N 1 2 381.307 4.164 20 0 GIADLO COc1cccc(N2CC[NH+]([C@H](C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)c1 ZINC000125781031 823709032 /nfs/dbraw/zinc/70/90/32/823709032.db2.gz PPUNEIPADHSHAY-MRXNPFEDSA-N 1 2 396.466 4.076 20 0 GIADLO O=C(c1ccccc1)C1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000125783711 823709440 /nfs/dbraw/zinc/70/94/40/823709440.db2.gz FPONJXJTRRVQMG-LJQANCHMSA-N 1 2 388.305 4.077 20 0 GIADLO C[N@H+](Cc1csc(-c2ccoc2)n1)[C@@H](CO)c1cccc(Br)c1 ZINC000125787312 823710197 /nfs/dbraw/zinc/71/01/97/823710197.db2.gz CVQRFPULDOFVIP-INIZCTEOSA-N 1 2 393.306 4.331 20 0 GIADLO C[N@@H+](Cc1csc(-c2ccoc2)n1)[C@@H](CO)c1cccc(Br)c1 ZINC000125787312 823710207 /nfs/dbraw/zinc/71/02/07/823710207.db2.gz CVQRFPULDOFVIP-INIZCTEOSA-N 1 2 393.306 4.331 20 0 GIADLO CCc1c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1cccc(Cl)c1 ZINC000125788899 823711103 /nfs/dbraw/zinc/71/11/03/823711103.db2.gz MTROMYZUAWDCMN-MGPUTAFESA-N 1 2 397.910 4.008 20 0 GIADLO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ncc(I)s1 ZINC000574409678 823722467 /nfs/dbraw/zinc/72/24/67/823722467.db2.gz WFZRSVDLEOWIBX-WCQYABFASA-N 1 2 384.286 4.126 20 0 GIADLO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ncc(I)s1 ZINC000574409678 823722471 /nfs/dbraw/zinc/72/24/71/823722471.db2.gz WFZRSVDLEOWIBX-WCQYABFASA-N 1 2 384.286 4.126 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000574414153 823722895 /nfs/dbraw/zinc/72/28/95/823722895.db2.gz NPNYCLPEQXWNSK-BVGQSLNGSA-N 1 2 379.426 4.402 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000574414153 823722904 /nfs/dbraw/zinc/72/29/04/823722904.db2.gz NPNYCLPEQXWNSK-BVGQSLNGSA-N 1 2 379.426 4.402 20 0 GIADLO COc1ccc([C@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1F ZINC000163608142 823727838 /nfs/dbraw/zinc/72/78/38/823727838.db2.gz WCYRCOCWYDGXLZ-LSDHHAIUSA-N 1 2 391.512 4.045 20 0 GIADLO COc1ccc(Nc2nn(C[N@@H+]3CCS[C@@H](C)CC3)c(=S)s2)cc1 ZINC000191667499 823728071 /nfs/dbraw/zinc/72/80/71/823728071.db2.gz PTGRHBXYRSTKED-LBPRGKRZSA-N 1 2 382.580 4.211 20 0 GIADLO COc1ccc(Nc2nn(C[N@H+]3CCS[C@@H](C)CC3)c(=S)s2)cc1 ZINC000191667499 823728079 /nfs/dbraw/zinc/72/80/79/823728079.db2.gz PTGRHBXYRSTKED-LBPRGKRZSA-N 1 2 382.580 4.211 20 0 GIADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000574447500 823733252 /nfs/dbraw/zinc/73/32/52/823733252.db2.gz KTYIPBOXLSVOOL-FGTMMUONSA-N 1 2 381.501 4.030 20 0 GIADLO CCCN(C)c1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000064023673 823735097 /nfs/dbraw/zinc/73/50/97/823735097.db2.gz XDVSHSSRRWRKIW-MRXNPFEDSA-N 1 2 386.565 4.474 20 0 GIADLO CCCN(C)c1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000064023673 823735104 /nfs/dbraw/zinc/73/51/04/823735104.db2.gz XDVSHSSRRWRKIW-MRXNPFEDSA-N 1 2 386.565 4.474 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000125881917 823735992 /nfs/dbraw/zinc/73/59/92/823735992.db2.gz JXKWFIYMXJQJGG-APWZRJJASA-N 1 2 398.869 4.079 20 0 GIADLO OCCSCc1cc[nH+]c(NCc2ccc(Br)c(Cl)c2)c1 ZINC000191691638 823736255 /nfs/dbraw/zinc/73/62/55/823736255.db2.gz HRYDTFZYHUEOLZ-UHFFFAOYSA-N 1 2 387.730 4.335 20 0 GIADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000125891492 823738784 /nfs/dbraw/zinc/73/87/84/823738784.db2.gz FOVIGRIRHBVVAB-GFCCVEGCSA-N 1 2 387.423 4.024 20 0 GIADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000125891492 823738792 /nfs/dbraw/zinc/73/87/92/823738792.db2.gz FOVIGRIRHBVVAB-GFCCVEGCSA-N 1 2 387.423 4.024 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@H](C)c3cc(Cl)ccc3Cl)[nH+]cn2)C1 ZINC000413251645 823739114 /nfs/dbraw/zinc/73/91/14/823739114.db2.gz QRUBXFXCMYQERW-JHJVBQTASA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@H](C)c3cc(Cl)ccc3Cl)nc[nH+]2)C1 ZINC000413251645 823739120 /nfs/dbraw/zinc/73/91/20/823739120.db2.gz QRUBXFXCMYQERW-JHJVBQTASA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](Nc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1)c1ccc(Cl)cc1Cl ZINC000413267890 823741767 /nfs/dbraw/zinc/74/17/67/823741767.db2.gz QCHHXBHHSXMFIS-FRRDWIJNSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](Nc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1)c1ccc(Cl)cc1Cl ZINC000413267890 823741772 /nfs/dbraw/zinc/74/17/72/823741772.db2.gz QCHHXBHHSXMFIS-FRRDWIJNSA-N 1 2 381.307 4.164 20 0 GIADLO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Br ZINC000125912683 823742711 /nfs/dbraw/zinc/74/27/11/823742711.db2.gz ZYOLBGZBOCSLPG-CQSZACIVSA-N 1 2 396.350 4.354 20 0 GIADLO Cc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Br ZINC000125912683 823742717 /nfs/dbraw/zinc/74/27/17/823742717.db2.gz ZYOLBGZBOCSLPG-CQSZACIVSA-N 1 2 396.350 4.354 20 0 GIADLO CCOCc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000125929198 823746482 /nfs/dbraw/zinc/74/64/82/823746482.db2.gz UNKDYORSLLDPSV-FCHUYYIVSA-N 1 2 390.487 4.470 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc(F)c4ccccc43)[nH+]cn2)C1 ZINC000413295176 823746983 /nfs/dbraw/zinc/74/69/83/823746983.db2.gz GTAGKXFCYSUWOK-ARFHVFGLSA-N 1 2 380.467 4.149 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc(F)c4ccccc43)nc[nH+]2)C1 ZINC000413295176 823746991 /nfs/dbraw/zinc/74/69/91/823746991.db2.gz GTAGKXFCYSUWOK-ARFHVFGLSA-N 1 2 380.467 4.149 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(-c4ccccc4)cc3F)[nH+]cn2)C1 ZINC000413301144 823747966 /nfs/dbraw/zinc/74/79/66/823747966.db2.gz KMTVTIJVEFMLSH-UZLBHIALSA-N 1 2 392.478 4.102 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(-c4ccccc4)cc3F)nc[nH+]2)C1 ZINC000413301144 823747970 /nfs/dbraw/zinc/74/79/70/823747970.db2.gz KMTVTIJVEFMLSH-UZLBHIALSA-N 1 2 392.478 4.102 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(F)ccc2OCC2CC2)c1C ZINC000191750365 823756161 /nfs/dbraw/zinc/75/61/61/823756161.db2.gz NOCONQUSKMCDEF-UHFFFAOYSA-N 1 2 387.455 4.299 20 0 GIADLO C[C@H]1CCN(C(=O)CCC(=O)c2csc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000126015077 823766782 /nfs/dbraw/zinc/76/67/82/823766782.db2.gz IHLCGDZUSLCQPX-YJBOKZPZSA-N 1 2 381.501 4.170 20 0 GIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCc3c2cccc3F)c(C)c1 ZINC000461964875 823774692 /nfs/dbraw/zinc/77/46/92/823774692.db2.gz WIRWOYNIWJFMFE-HXUWFJFHSA-N 1 2 378.451 4.153 20 0 GIADLO COc1ccccc1[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)N1CCCCC1 ZINC000126091730 823784940 /nfs/dbraw/zinc/78/49/40/823784940.db2.gz KZPGRUYDURWZHF-GMAHTHKFSA-N 1 2 390.531 4.325 20 0 GIADLO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000164227449 823787471 /nfs/dbraw/zinc/78/74/71/823787471.db2.gz OLJBIGIVNWWFGJ-CQSZACIVSA-N 1 2 382.907 4.301 20 0 GIADLO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000164227449 823787475 /nfs/dbraw/zinc/78/74/75/823787475.db2.gz OLJBIGIVNWWFGJ-CQSZACIVSA-N 1 2 382.907 4.301 20 0 GIADLO Fc1cccc(Cl)c1C[NH+]1CCC(N=Nc2nncc3ccccc32)CC1 ZINC000064306076 823788524 /nfs/dbraw/zinc/78/85/24/823788524.db2.gz CJXPSTRSVYHQGX-UHFFFAOYSA-N 1 2 383.858 4.486 20 0 GIADLO CCCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000462008462 823792696 /nfs/dbraw/zinc/79/26/96/823792696.db2.gz OOORTEZNEOWQKC-LEWJYISDSA-N 1 2 398.551 4.057 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000191843077 823793731 /nfs/dbraw/zinc/79/37/31/823793731.db2.gz SUSRXQAUKFIHPE-UHFFFAOYSA-N 1 2 384.402 4.288 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccncc1OCCC(C)(C)C)C2 ZINC000574668200 823794903 /nfs/dbraw/zinc/79/49/03/823794903.db2.gz WUAFQONAQWIUOS-MRXNPFEDSA-N 1 2 398.551 4.164 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccncc1OCCC(C)(C)C)CC2 ZINC000574668200 823794909 /nfs/dbraw/zinc/79/49/09/823794909.db2.gz WUAFQONAQWIUOS-MRXNPFEDSA-N 1 2 398.551 4.164 20 0 GIADLO CC[C@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)CC(F)(F)F ZINC000413566193 823797879 /nfs/dbraw/zinc/79/78/79/823797879.db2.gz IQNAPAAPTGLKAA-LBPRGKRZSA-N 1 2 388.821 4.304 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)C1 ZINC000126149695 823799912 /nfs/dbraw/zinc/79/99/12/823799912.db2.gz ROTWVGGZVKDDMW-OAHLLOKOSA-N 1 2 395.507 4.345 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000126153648 823801075 /nfs/dbraw/zinc/80/10/75/823801075.db2.gz MZARWASLNJUZDN-WIYYLYMNSA-N 1 2 381.520 4.154 20 0 GIADLO Cc1sc2nc([C@@H](C)[NH+]3CCC([C@@H](O)c4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000164407186 823801342 /nfs/dbraw/zinc/80/13/42/823801342.db2.gz VBEDNXUHXHZATG-KUHUBIRLSA-N 1 2 397.544 4.108 20 0 GIADLO Oc1cccc(C[N@H+](Cc2ncc(Cl)cc2Cl)[C@H]2CC[C@H](O)CC2)c1 ZINC000574700612 823803881 /nfs/dbraw/zinc/80/38/81/823803881.db2.gz DQICRWGABHJXJP-WKILWMFISA-N 1 2 381.303 4.400 20 0 GIADLO Oc1cccc(C[N@@H+](Cc2ncc(Cl)cc2Cl)[C@H]2CC[C@H](O)CC2)c1 ZINC000574700612 823803892 /nfs/dbraw/zinc/80/38/92/823803892.db2.gz DQICRWGABHJXJP-WKILWMFISA-N 1 2 381.303 4.400 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000064387375 823807562 /nfs/dbraw/zinc/80/75/62/823807562.db2.gz RVWHTXHDCVCXNU-ZWKOTPCHSA-N 1 2 382.261 4.377 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000191903437 823808396 /nfs/dbraw/zinc/80/83/96/823808396.db2.gz GCXNJZVONJUZKH-UHFFFAOYSA-N 1 2 388.487 4.318 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000126189885 823808949 /nfs/dbraw/zinc/80/89/49/823808949.db2.gz BLCCNLFVQJXGSI-DLBZAZTESA-N 1 2 384.442 4.134 20 0 GIADLO CCCCOc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000164600067 823811246 /nfs/dbraw/zinc/81/12/46/823811246.db2.gz ZWEDVYPFHCHOLR-SFHVURJKSA-N 1 2 384.524 4.394 20 0 GIADLO CC(C)c1ccc([C@@H]2CCCN2c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)cc1 ZINC000574738220 823814597 /nfs/dbraw/zinc/81/45/97/823814597.db2.gz UPGNCGYIIVOYOA-YYWHXJBOSA-N 1 2 380.536 4.149 20 0 GIADLO CC(C)c1ccc([C@@H]2CCCN2c2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)cc1 ZINC000574738220 823814601 /nfs/dbraw/zinc/81/46/01/823814601.db2.gz UPGNCGYIIVOYOA-YYWHXJBOSA-N 1 2 380.536 4.149 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccccc1CCC(F)(F)F ZINC000126244864 823819646 /nfs/dbraw/zinc/81/96/46/823819646.db2.gz HDTWJTJAUKLMJW-UHFFFAOYSA-N 1 2 380.414 4.079 20 0 GIADLO Clc1ccccc1[C@H](c1ccccc1)[NH+]1CCN(Cc2ncccn2)CC1 ZINC000191984294 823831475 /nfs/dbraw/zinc/83/14/75/823831475.db2.gz JOJCSPRQGMXMCA-QFIPXVFZSA-N 1 2 378.907 4.037 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C/c1nc2ccccc2s1 ZINC000126320692 823839448 /nfs/dbraw/zinc/83/94/48/823839448.db2.gz NGZLJMHYJDWJJY-CMDGGOBGSA-N 1 2 393.512 4.089 20 0 GIADLO C[C@@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC(F)(F)F ZINC000413783587 823840806 /nfs/dbraw/zinc/84/08/06/823840806.db2.gz ZKZMHAFRDJUNAY-KFWWJZLASA-N 1 2 387.446 4.006 20 0 GIADLO C[C@@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC(F)(F)F ZINC000413783587 823840812 /nfs/dbraw/zinc/84/08/12/823840812.db2.gz ZKZMHAFRDJUNAY-KFWWJZLASA-N 1 2 387.446 4.006 20 0 GIADLO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1nc(Cc2ccccc2)no1 ZINC000192055523 823845463 /nfs/dbraw/zinc/84/54/63/823845463.db2.gz CHFLTGKUFUGYKF-ADLFWFRXSA-N 1 2 383.879 4.495 20 0 GIADLO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccc(F)c(C)c2)c2ccccc2Cl)on1 ZINC000462172108 823852772 /nfs/dbraw/zinc/85/27/72/823852772.db2.gz SOWCANRWXFGANH-FQEVSTJZSA-N 1 2 387.842 4.402 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Br)c(Cl)c1 ZINC000126387183 823854107 /nfs/dbraw/zinc/85/41/07/823854107.db2.gz RKNNJKJQCGZKDS-UHFFFAOYSA-N 1 2 394.700 4.028 20 0 GIADLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000574907660 823858314 /nfs/dbraw/zinc/85/83/14/823858314.db2.gz BFKZGOXTRZHRRZ-CQSZACIVSA-N 1 2 388.464 4.125 20 0 GIADLO O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000574917517 823860214 /nfs/dbraw/zinc/86/02/14/823860214.db2.gz FLMMBGBNCMIJEP-WOJBJXKFSA-N 1 2 399.498 4.264 20 0 GIADLO Fc1cc([C@H]2OCC[C@@H]2[NH2+]Cc2noc(-c3ccsc3)n2)ccc1Cl ZINC000192101817 823860629 /nfs/dbraw/zinc/86/06/29/823860629.db2.gz NZVKXJWWZNNVSR-GOEBONIOSA-N 1 2 379.844 4.210 20 0 GIADLO CC(C)[C@@H]1C[C@@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCO1 ZINC000574959468 823871578 /nfs/dbraw/zinc/87/15/78/823871578.db2.gz OZFGEBFKXBKSFG-UWJYYQICSA-N 1 2 394.519 4.175 20 0 GIADLO CCOC[C@@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)C1 ZINC000166253769 823873896 /nfs/dbraw/zinc/87/38/96/823873896.db2.gz NGQVZWWORFCSGV-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO CCOC[C@@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)C1 ZINC000166253769 823873902 /nfs/dbraw/zinc/87/39/02/823873902.db2.gz NGQVZWWORFCSGV-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO CCOC[C@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)C1 ZINC000166253383 823874009 /nfs/dbraw/zinc/87/40/09/823874009.db2.gz MQVLACUPUMZPCT-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO CCOC[C@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)C1 ZINC000166253383 823874015 /nfs/dbraw/zinc/87/40/15/823874015.db2.gz MQVLACUPUMZPCT-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO COCCOCC[N@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000574963119 823874354 /nfs/dbraw/zinc/87/43/54/823874354.db2.gz ZXKFUJWHSFDAMH-UHFFFAOYSA-N 1 2 384.339 4.176 20 0 GIADLO COCCOCC[N@@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000574963119 823874357 /nfs/dbraw/zinc/87/43/57/823874357.db2.gz ZXKFUJWHSFDAMH-UHFFFAOYSA-N 1 2 384.339 4.176 20 0 GIADLO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000574963626 823874371 /nfs/dbraw/zinc/87/43/71/823874371.db2.gz HRAOMWGOBIIAKK-AWEZNQCLSA-N 1 2 382.851 4.270 20 0 GIADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000574984404 823879753 /nfs/dbraw/zinc/87/97/53/823879753.db2.gz ZKRIFVANRIVHKJ-UXHICEINSA-N 1 2 395.890 4.185 20 0 GIADLO CC(C)c1c(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cnn1-c1ccccc1Cl ZINC000192160524 823885932 /nfs/dbraw/zinc/88/59/32/823885932.db2.gz ZQIHHNOHZXIFLY-CQSZACIVSA-N 1 2 383.883 4.047 20 0 GIADLO CCc1sc(-c2nnc(C[NH+]3CCC(c4noc(C5CC5)n4)CC3)o2)cc1C ZINC000462234181 823887296 /nfs/dbraw/zinc/88/72/96/823887296.db2.gz QSRITPQPVTYBMD-UHFFFAOYSA-N 1 2 399.520 4.309 20 0 GIADLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@H]1n1cc[nH+]c1 ZINC000126531111 823892428 /nfs/dbraw/zinc/89/24/28/823892428.db2.gz FMCRHDRCBUCYEA-RHSMWYFYSA-N 1 2 390.325 4.033 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCc2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000575026285 823892590 /nfs/dbraw/zinc/89/25/90/823892590.db2.gz NTQWZEQQJIODAO-OFNKIYASSA-N 1 2 397.519 4.009 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCc2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000575026285 823892596 /nfs/dbraw/zinc/89/25/96/823892596.db2.gz NTQWZEQQJIODAO-OFNKIYASSA-N 1 2 397.519 4.009 20 0 GIADLO COc1cc(NC(=O)COc2cc(C)[nH+]c3ccccc32)c(OC)cc1Cl ZINC000192193399 823897637 /nfs/dbraw/zinc/89/76/37/823897637.db2.gz UDPSVILKCVGJPA-UHFFFAOYSA-N 1 2 386.835 4.231 20 0 GIADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1cccnc1N(C)C ZINC000168050868 823899464 /nfs/dbraw/zinc/89/94/64/823899464.db2.gz MEOZEVONZXMSTR-UHFFFAOYSA-N 1 2 397.954 4.459 20 0 GIADLO C[C@H]([NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc2n(n1)CCC2 ZINC000414071866 823901477 /nfs/dbraw/zinc/90/14/77/823901477.db2.gz KYGZZCULZQAWRQ-AOMKIAJQSA-N 1 2 389.478 4.410 20 0 GIADLO Cc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1Cc1ccccc1 ZINC000126580641 823904883 /nfs/dbraw/zinc/90/48/83/823904883.db2.gz IMZHPPGIXCCQTE-HTAPYJJXSA-N 1 2 376.504 4.073 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000414084960 823905400 /nfs/dbraw/zinc/90/54/00/823905400.db2.gz YGMRHKBNBKJGER-WDEREUQCSA-N 1 2 388.411 4.283 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(C)C)c(OC)c2)s1 ZINC000414085110 823905552 /nfs/dbraw/zinc/90/55/52/823905552.db2.gz YLGYDGOJNXSKAR-ZIAGYGMSSA-N 1 2 392.521 4.385 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462270095 823907854 /nfs/dbraw/zinc/90/78/54/823907854.db2.gz LDSWVJQRZDHZQJ-STQMWFEESA-N 1 2 397.466 4.205 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462270095 823907862 /nfs/dbraw/zinc/90/78/62/823907862.db2.gz LDSWVJQRZDHZQJ-STQMWFEESA-N 1 2 397.466 4.205 20 0 GIADLO COc1cccc(C([NH2+][C@@H](C)c2cc3n(n2)CCC3)c2cccc(OC)c2)c1 ZINC000414119389 823913888 /nfs/dbraw/zinc/91/38/88/823913888.db2.gz WHLOOKSSRMYWBF-INIZCTEOSA-N 1 2 377.488 4.287 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000192245961 823915361 /nfs/dbraw/zinc/91/53/61/823915361.db2.gz YEUHDFBXIYJPGH-UHFFFAOYSA-N 1 2 385.899 4.041 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cncc(-c2ccc(C)cc2)c1 ZINC000192245983 823915478 /nfs/dbraw/zinc/91/54/78/823915478.db2.gz DTIWSSDXHUUSAS-UHFFFAOYSA-N 1 2 376.504 4.368 20 0 GIADLO CCS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)c1 ZINC000414139320 823917667 /nfs/dbraw/zinc/91/76/67/823917667.db2.gz JFYGFIOBOCIEAC-HNNXBMFYSA-N 1 2 386.542 4.455 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C)c(Oc2ccncc2)c1 ZINC000192256613 823918867 /nfs/dbraw/zinc/91/88/67/823918867.db2.gz LQQUCLHKCHCSDB-UHFFFAOYSA-N 1 2 392.503 4.494 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnn(-c2cc(C)ccc2C)c1C ZINC000192259438 823920579 /nfs/dbraw/zinc/92/05/79/823920579.db2.gz TVDZITSJVYSLPP-UHFFFAOYSA-N 1 2 393.535 4.109 20 0 GIADLO Cn1cc[nH+]c1[C@H]1CCC[C@@]2(C1)Nc1ccccc1C(=O)N2Cc1ccco1 ZINC000414167467 823921612 /nfs/dbraw/zinc/92/16/12/823921612.db2.gz PGFGLYVBIRDOSH-KSFYIVLOSA-N 1 2 376.460 4.135 20 0 GIADLO Cc1[nH]c2ccc(CNC(=O)NCc3ccccc3Cn3cc[nH+]c3)cc2c1C ZINC000065031126 823927493 /nfs/dbraw/zinc/92/74/93/823927493.db2.gz ZJGNXXAUUYIXMZ-UHFFFAOYSA-N 1 2 387.487 4.029 20 0 GIADLO CCn1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2Br)n1 ZINC000414212754 823930159 /nfs/dbraw/zinc/93/01/59/823930159.db2.gz SLWAYSIXVICFPX-SNVBAGLBSA-N 1 2 387.119 4.279 20 0 GIADLO Cc1nc(-c2cccs2)sc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000126746998 823941014 /nfs/dbraw/zinc/94/10/14/823941014.db2.gz VCANELWMDBRVEG-UHFFFAOYSA-N 1 2 398.557 4.495 20 0 GIADLO O=C1c2ccccc2N[C@@H](c2ccc(-n3cc[nH+]c3)cc2)N1Cc1cccnc1 ZINC000126751680 823942050 /nfs/dbraw/zinc/94/20/50/823942050.db2.gz RDJPYOHFTZUQIJ-JOCHJYFZSA-N 1 2 381.439 4.034 20 0 GIADLO COC[C@@H]([NH2+]Cc1cn2ccc(Br)cc2n1)c1cccc(Cl)c1 ZINC000575221083 823944396 /nfs/dbraw/zinc/94/43/96/823944396.db2.gz BMZKZBWPTDTDCA-MRXNPFEDSA-N 1 2 394.700 4.228 20 0 GIADLO CCCC[C@@H]([NH2+][C@H](C)c1cc(C)on1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000575237296 823948541 /nfs/dbraw/zinc/94/85/41/823948541.db2.gz MMGKSUXMXVHHFG-YLJYHZDGSA-N 1 2 384.524 4.431 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(-c3ccc(Cl)s3)on2)c1C ZINC000065164204 823955487 /nfs/dbraw/zinc/95/54/87/823955487.db2.gz AMPZFRNNODYTPE-UHFFFAOYSA-N 1 2 377.853 4.007 20 0 GIADLO CCOc1c(Cl)cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000575332839 823957469 /nfs/dbraw/zinc/95/74/69/823957469.db2.gz LTAXGBGCXICUAK-CQSZACIVSA-N 1 2 396.274 4.472 20 0 GIADLO CCOc1nn(C[NH2+]C(C)(C)c2ccc(Br)cc2)c(=S)s1 ZINC000065188146 823957843 /nfs/dbraw/zinc/95/78/43/823957843.db2.gz UICBJJFOUKGJBW-UHFFFAOYSA-N 1 2 388.356 4.318 20 0 GIADLO COCCNc1nn(C[N@@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)c(=S)s1 ZINC000126813561 823957820 /nfs/dbraw/zinc/95/78/20/823957820.db2.gz QLMWLFVBGZUGLC-MRXNPFEDSA-N 1 2 378.567 4.144 20 0 GIADLO COCCNc1nn(C[N@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)c(=S)s1 ZINC000126813561 823957824 /nfs/dbraw/zinc/95/78/24/823957824.db2.gz QLMWLFVBGZUGLC-MRXNPFEDSA-N 1 2 378.567 4.144 20 0 GIADLO Fc1cccc([C@@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)c1 ZINC000170758889 823963706 /nfs/dbraw/zinc/96/37/06/823963706.db2.gz GOEWXGZRMLWRGN-QHCPKHFHSA-N 1 2 378.447 4.373 20 0 GIADLO Fc1cccc([C@@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)c1 ZINC000170758889 823963714 /nfs/dbraw/zinc/96/37/14/823963714.db2.gz GOEWXGZRMLWRGN-QHCPKHFHSA-N 1 2 378.447 4.373 20 0 GIADLO Fc1cccc([C@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)c1 ZINC000170758892 823963844 /nfs/dbraw/zinc/96/38/44/823963844.db2.gz GOEWXGZRMLWRGN-HSZRJFAPSA-N 1 2 378.447 4.373 20 0 GIADLO Fc1cccc([C@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)c1 ZINC000170758892 823963854 /nfs/dbraw/zinc/96/38/54/823963854.db2.gz GOEWXGZRMLWRGN-HSZRJFAPSA-N 1 2 378.447 4.373 20 0 GIADLO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)cn1 ZINC000126849129 823965821 /nfs/dbraw/zinc/96/58/21/823965821.db2.gz BGCIMKNQQQSELA-HNNXBMFYSA-N 1 2 398.942 4.321 20 0 GIADLO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C)nn1 ZINC000414374849 823968148 /nfs/dbraw/zinc/96/81/48/823968148.db2.gz WSSQYHNFZYZRQK-AWEZNQCLSA-N 1 2 380.414 4.043 20 0 GIADLO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C)nn1 ZINC000414374849 823968154 /nfs/dbraw/zinc/96/81/54/823968154.db2.gz WSSQYHNFZYZRQK-AWEZNQCLSA-N 1 2 380.414 4.043 20 0 GIADLO O=C(Cn1cc[nH+]c1)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC000462420299 823968249 /nfs/dbraw/zinc/96/82/49/823968249.db2.gz UUBLCRSBIIZZQI-UHFFFAOYSA-N 1 2 390.212 4.216 20 0 GIADLO CCn1ccnc1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000575434963 823970731 /nfs/dbraw/zinc/97/07/31/823970731.db2.gz ZYZTZWYPZDVYKH-DOTOQJQBSA-N 1 2 398.334 4.177 20 0 GIADLO CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000575434963 823970733 /nfs/dbraw/zinc/97/07/33/823970733.db2.gz ZYZTZWYPZDVYKH-DOTOQJQBSA-N 1 2 398.334 4.177 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000575662483 823981956 /nfs/dbraw/zinc/98/19/56/823981956.db2.gz ZLIHBEVQUSJGPY-SJLPKXTDSA-N 1 2 386.927 4.051 20 0 GIADLO Cc1cccc(OCCC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000126931356 823983899 /nfs/dbraw/zinc/98/38/99/823983899.db2.gz SXQMZCJKXCRJLG-OALUTQOASA-N 1 2 382.504 4.012 20 0 GIADLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000575793451 823997570 /nfs/dbraw/zinc/99/75/70/823997570.db2.gz DCTODOVVNGPHTF-ZDUSSCGKSA-N 1 2 392.284 4.342 20 0 GIADLO CCOCCOc1ccc(Br)cc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000575793451 823997575 /nfs/dbraw/zinc/99/75/75/823997575.db2.gz DCTODOVVNGPHTF-ZDUSSCGKSA-N 1 2 392.284 4.342 20 0 GIADLO COc1ccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)cc1OCCC(C)C ZINC000414509955 823997953 /nfs/dbraw/zinc/99/79/53/823997953.db2.gz TXLAEJKERRCRTA-UHFFFAOYSA-N 1 2 383.414 4.219 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(F)c(F)c3F)CC2)c1 ZINC000170903196 824003137 /nfs/dbraw/zinc/00/31/37/824003137.db2.gz UUUKRAFOFSJKAI-ZDUSSCGKSA-N 1 2 393.409 4.023 20 0 GIADLO CN(C)C(=O)Cc1nc(C[N@H+](Cc2ccccc2F)C2CCCCC2)cs1 ZINC000170930578 824007820 /nfs/dbraw/zinc/00/78/20/824007820.db2.gz VTSZPNGFOOLSCH-UHFFFAOYSA-N 1 2 389.540 4.248 20 0 GIADLO CN(C)C(=O)Cc1nc(C[N@@H+](Cc2ccccc2F)C2CCCCC2)cs1 ZINC000170930578 824007827 /nfs/dbraw/zinc/00/78/27/824007827.db2.gz VTSZPNGFOOLSCH-UHFFFAOYSA-N 1 2 389.540 4.248 20 0 GIADLO Clc1cncc(OC2CC[NH+](Cc3ccn(CCc4ccccc4)n3)CC2)c1 ZINC000575878909 824018647 /nfs/dbraw/zinc/01/86/47/824018647.db2.gz CMXHTLMPEFAIPQ-UHFFFAOYSA-N 1 2 396.922 4.218 20 0 GIADLO Cc1csc(Sc2ccc(NC(=O)NCCc3cn(C)c[nH+]3)c(C)c2)n1 ZINC000576003684 824047702 /nfs/dbraw/zinc/04/77/02/824047702.db2.gz WSQGTAMLPQRNLN-UHFFFAOYSA-N 1 2 387.534 4.009 20 0 GIADLO Fc1cccc(Cn2cnc(C[NH2+][C@H]3CCCc4c5ccccc5[nH]c43)n2)c1 ZINC000576023443 824051928 /nfs/dbraw/zinc/05/19/28/824051928.db2.gz QYJFYRAFTTVIBH-FQEVSTJZSA-N 1 2 375.451 4.114 20 0 GIADLO CS[C@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000414955016 824053800 /nfs/dbraw/zinc/05/38/00/824053800.db2.gz TXKIQPQOXVLNOQ-FVJLSDCUSA-N 1 2 384.545 4.339 20 0 GIADLO CS[C@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000414955016 824053806 /nfs/dbraw/zinc/05/38/06/824053806.db2.gz TXKIQPQOXVLNOQ-FVJLSDCUSA-N 1 2 384.545 4.339 20 0 GIADLO Fc1ccccc1[C@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CCO1 ZINC000171071229 824055874 /nfs/dbraw/zinc/05/58/74/824055874.db2.gz IQNOAGIRHJJYRO-HSZRJFAPSA-N 1 2 378.447 4.373 20 0 GIADLO Fc1ccccc1[C@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CCO1 ZINC000171071229 824055883 /nfs/dbraw/zinc/05/58/83/824055883.db2.gz IQNOAGIRHJJYRO-HSZRJFAPSA-N 1 2 378.447 4.373 20 0 GIADLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc(F)c(Cl)cc3Cl)c2)CC1 ZINC000057055413 205153135 /nfs/dbraw/zinc/15/31/35/205153135.db2.gz VJVVQVFSWAIAPJ-UHFFFAOYSA-N 1 2 396.293 4.132 20 0 GIADLO CC(C)(C)c1nc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000064480374 205190028 /nfs/dbraw/zinc/19/00/28/205190028.db2.gz SXEFXMCSXSRBCR-UHFFFAOYSA-N 1 2 391.968 4.442 20 0 GIADLO CC(C)(C)c1nc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000064480374 205190033 /nfs/dbraw/zinc/19/00/33/205190033.db2.gz SXEFXMCSXSRBCR-UHFFFAOYSA-N 1 2 391.968 4.442 20 0 GIADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCc3sccc3C2)cc1 ZINC000071968334 205300315 /nfs/dbraw/zinc/30/03/15/205300315.db2.gz HLYRLIIQJPQAMK-FQEVSTJZSA-N 1 2 384.545 4.259 20 0 GIADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000071968334 205300318 /nfs/dbraw/zinc/30/03/18/205300318.db2.gz HLYRLIIQJPQAMK-FQEVSTJZSA-N 1 2 384.545 4.259 20 0 GIADLO Cc1sc2ncnc(NC[C@@H](c3ccc(C)cc3)[NH+]3CCOCC3)c2c1C ZINC000071968836 205300335 /nfs/dbraw/zinc/30/03/35/205300335.db2.gz CSNFRRPJJUEIFF-SFHVURJKSA-N 1 2 382.533 4.102 20 0 GIADLO C(C[N@@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1)OC1CCCCCC1 ZINC000583194237 570770532 /nfs/dbraw/zinc/77/05/32/570770532.db2.gz FUQOYVRBSYNMOI-IBGZPJMESA-N 1 2 377.529 4.230 20 0 GIADLO C(C[N@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1)OC1CCCCCC1 ZINC000583194237 570770535 /nfs/dbraw/zinc/77/05/35/570770535.db2.gz FUQOYVRBSYNMOI-IBGZPJMESA-N 1 2 377.529 4.230 20 0 GIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(c2cc(Cl)nc3cc(C)ccc32)CC1 ZINC001164918583 721816565 /nfs/dbraw/zinc/81/65/65/721816565.db2.gz PYIRSRGYJDZTSU-UHFFFAOYSA-N 1 2 395.938 4.143 20 0 GIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(c2cc(Cl)nc3cc(C)ccc32)CC1 ZINC001164918583 721816568 /nfs/dbraw/zinc/81/65/68/721816568.db2.gz PYIRSRGYJDZTSU-UHFFFAOYSA-N 1 2 395.938 4.143 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187366823 823050692 /nfs/dbraw/zinc/05/06/92/823050692.db2.gz LTUBWHNZDCMZEJ-UHFFFAOYSA-N 1 2 394.494 4.148 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187366823 823050696 /nfs/dbraw/zinc/05/06/96/823050696.db2.gz LTUBWHNZDCMZEJ-UHFFFAOYSA-N 1 2 394.494 4.148 20 0 GIADLO CCCCc1ccc(C(=O)CCC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120731473 823054176 /nfs/dbraw/zinc/05/41/76/823054176.db2.gz GUTBFMVTYVKRNI-HXUWFJFHSA-N 1 2 395.547 4.207 20 0 GIADLO CCO[C@@H](C)c1nc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)cs1 ZINC000120762092 823058835 /nfs/dbraw/zinc/05/88/35/823058835.db2.gz WQOXBFDIWIEFBH-LIRRHRJNSA-N 1 2 378.513 4.325 20 0 GIADLO C[C@@H]1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2F)C[C@H]1n1cc[nH+]c1 ZINC000187419252 823059891 /nfs/dbraw/zinc/05/98/91/823059891.db2.gz CXHNCHXETWQVIW-RHSMWYFYSA-N 1 2 392.906 4.246 20 0 GIADLO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)s1 ZINC000570685998 823071938 /nfs/dbraw/zinc/07/19/38/823071938.db2.gz FJECYPIEKXLOKJ-CQSZACIVSA-N 1 2 386.908 4.093 20 0 GIADLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1c(F)cccc1Cl ZINC000175915120 823071383 /nfs/dbraw/zinc/07/13/83/823071383.db2.gz GWWFKVGQORTARK-AWEZNQCLSA-N 1 2 390.890 4.425 20 0 GIADLO COc1ccc(NC(=O)c2nnc(C[N@H+](C(C)C)C3CCCCC3)s2)cc1 ZINC000120835238 823073943 /nfs/dbraw/zinc/07/39/43/823073943.db2.gz ZGWYITFSXMFZED-UHFFFAOYSA-N 1 2 388.537 4.342 20 0 GIADLO COc1ccc(NC(=O)c2nnc(C[N@@H+](C(C)C)C3CCCCC3)s2)cc1 ZINC000120835238 823073947 /nfs/dbraw/zinc/07/39/47/823073947.db2.gz ZGWYITFSXMFZED-UHFFFAOYSA-N 1 2 388.537 4.342 20 0 GIADLO C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCC[C@H](Cc5[nH+]ccn5C)C4)cc3c2C1 ZINC000120856472 823077966 /nfs/dbraw/zinc/07/79/66/823077966.db2.gz AWQRIKFTXIUZSR-DLBZAZTESA-N 1 2 390.531 4.121 20 0 GIADLO CCC[N@@H+]1Cc2cccc(NC(=O)CCC(=O)c3ccc(OC)c(F)c3)c2C1 ZINC000175965900 823083725 /nfs/dbraw/zinc/08/37/25/823083725.db2.gz PNSNGTAUMKVDEC-UHFFFAOYSA-N 1 2 384.451 4.162 20 0 GIADLO CCC[N@H+]1Cc2cccc(NC(=O)CCC(=O)c3ccc(OC)c(F)c3)c2C1 ZINC000175965900 823083729 /nfs/dbraw/zinc/08/37/29/823083729.db2.gz PNSNGTAUMKVDEC-UHFFFAOYSA-N 1 2 384.451 4.162 20 0 GIADLO C[C@@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1C(F)(F)F ZINC000120927028 823088063 /nfs/dbraw/zinc/08/80/63/823088063.db2.gz INLLBTCBQAMAFY-JKSUJKDBSA-N 1 2 393.453 4.414 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000175986948 823089268 /nfs/dbraw/zinc/08/92/68/823089268.db2.gz MIVXUZIBOJFSID-NHCUHLMSSA-N 1 2 396.510 4.025 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000175991471 823090267 /nfs/dbraw/zinc/09/02/67/823090267.db2.gz LHHZEADMVUQYCB-UHFFFAOYSA-N 1 2 382.504 4.257 20 0 GIADLO CC[C@H](Oc1ccccc1Cl)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175996352 823091491 /nfs/dbraw/zinc/09/14/91/823091491.db2.gz XDGXAWYGBFJRHS-IBGZPJMESA-N 1 2 397.906 4.101 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000458820570 823091789 /nfs/dbraw/zinc/09/17/89/823091789.db2.gz QZLYWJQOWUOUOV-KRWDZBQOSA-N 1 2 394.441 4.097 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000187600776 823095735 /nfs/dbraw/zinc/09/57/35/823095735.db2.gz GIKUNDWNDJKBBZ-UHFFFAOYSA-N 1 2 393.940 4.131 20 0 GIADLO CCc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cnn1-c1ccccc1OC ZINC000187615458 823098220 /nfs/dbraw/zinc/09/82/20/823098220.db2.gz VSJSHUOKKWDALB-UHFFFAOYSA-N 1 2 387.443 4.086 20 0 GIADLO COc1cc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)ccc1SC ZINC000121014052 823103014 /nfs/dbraw/zinc/10/30/14/823103014.db2.gz JYHJEXVYXYTAGH-UHFFFAOYSA-N 1 2 393.556 4.415 20 0 GIADLO COc1cccc(C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1OC ZINC000056201867 823101913 /nfs/dbraw/zinc/10/19/13/823101913.db2.gz QFCHALYVQGGXNA-JOCHJYFZSA-N 1 2 390.483 4.482 20 0 GIADLO CCCO[C@@H]1CCCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000458890548 823102331 /nfs/dbraw/zinc/10/23/31/823102331.db2.gz UQGCOOWIYWFXAC-MRXNPFEDSA-N 1 2 390.915 4.016 20 0 GIADLO C[C@H]1C[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C[C@H](c2ccsc2)O1 ZINC000121039006 823107170 /nfs/dbraw/zinc/10/71/70/823107170.db2.gz OUZZAMYDMXWYSU-KBXCAEBGSA-N 1 2 376.547 4.484 20 0 GIADLO C[C@H]1C[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C[C@H](c2ccsc2)O1 ZINC000121039006 823107174 /nfs/dbraw/zinc/10/71/74/823107174.db2.gz OUZZAMYDMXWYSU-KBXCAEBGSA-N 1 2 376.547 4.484 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@H+](C)C[C@H]3CCOC3)nc2-c2ccccc2)cc1 ZINC000176099558 823119654 /nfs/dbraw/zinc/11/96/54/823119654.db2.gz PTFZXJCWXZVSEM-GOSISDBHSA-N 1 2 394.544 4.305 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@@H+](C)C[C@H]3CCOC3)nc2-c2ccccc2)cc1 ZINC000176099558 823119658 /nfs/dbraw/zinc/11/96/58/823119658.db2.gz PTFZXJCWXZVSEM-GOSISDBHSA-N 1 2 394.544 4.305 20 0 GIADLO Cc1cc(C)c(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(C)[nH+]1 ZINC000121110397 823120310 /nfs/dbraw/zinc/12/03/10/823120310.db2.gz AJJDYQCWUNUVTK-UHFFFAOYSA-N 1 2 385.423 4.060 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2OC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000121114733 823121291 /nfs/dbraw/zinc/12/12/91/823121291.db2.gz JRSYDVJREIORRB-BEFAXECRSA-N 1 2 386.471 4.459 20 0 GIADLO CC[C@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H](CC)O1 ZINC000571070709 823127861 /nfs/dbraw/zinc/12/78/61/823127861.db2.gz VGEXNGPGDJNKCL-ROUUACIJSA-N 1 2 380.492 4.023 20 0 GIADLO C[N@H+](CCC1CCOCC1)Cn1nc(-c2cccs2)n(C2CC2)c1=S ZINC000121180800 823133540 /nfs/dbraw/zinc/13/35/40/823133540.db2.gz RVQUHDDHPXZYIQ-UHFFFAOYSA-N 1 2 378.567 4.183 20 0 GIADLO C[N@@H+](CCC1CCOCC1)Cn1nc(-c2cccs2)n(C2CC2)c1=S ZINC000121180800 823133545 /nfs/dbraw/zinc/13/35/45/823133545.db2.gz RVQUHDDHPXZYIQ-UHFFFAOYSA-N 1 2 378.567 4.183 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)[C@H]2CCSC2)cs1)c1cccc(C)c1C ZINC000121188154 823135025 /nfs/dbraw/zinc/13/50/25/823135025.db2.gz POAXKHYHRBMJJZ-KRWDZBQOSA-N 1 2 375.563 4.382 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)[C@H]2CCSC2)cs1)c1cccc(C)c1C ZINC000121188154 823135027 /nfs/dbraw/zinc/13/50/27/823135027.db2.gz POAXKHYHRBMJJZ-KRWDZBQOSA-N 1 2 375.563 4.382 20 0 GIADLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1c(F)cccc1Cl ZINC000176147654 823135985 /nfs/dbraw/zinc/13/59/85/823135985.db2.gz CIYROLKBOXGKNM-HUUCEWRRSA-N 1 2 390.890 4.024 20 0 GIADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121193753 823136007 /nfs/dbraw/zinc/13/60/07/823136007.db2.gz HGYGQIAYOBCALZ-GOSISDBHSA-N 1 2 383.927 4.304 20 0 GIADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121193753 823136012 /nfs/dbraw/zinc/13/60/12/823136012.db2.gz HGYGQIAYOBCALZ-GOSISDBHSA-N 1 2 383.927 4.304 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000121204140 823138250 /nfs/dbraw/zinc/13/82/50/823138250.db2.gz KRQMMGLKNDMTLB-UHFFFAOYSA-N 1 2 392.890 4.196 20 0 GIADLO Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]Cc1nc(-c2ccccn2)n[nH]1 ZINC000571157042 823142348 /nfs/dbraw/zinc/14/23/48/823142348.db2.gz XRKYPEZCTNMHAG-CYBMUJFWSA-N 1 2 390.274 4.177 20 0 GIADLO CCCn1c(C)nnc1C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000187838836 823143903 /nfs/dbraw/zinc/14/39/03/823143903.db2.gz ZOVZOEXJBOQBAX-UHFFFAOYSA-N 1 2 396.457 4.306 20 0 GIADLO O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000176196329 823150377 /nfs/dbraw/zinc/15/03/77/823150377.db2.gz JDCVCHGGEOYCEX-CALCHBBNSA-N 1 2 395.453 4.421 20 0 GIADLO O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000176196329 823150381 /nfs/dbraw/zinc/15/03/81/823150381.db2.gz JDCVCHGGEOYCEX-CALCHBBNSA-N 1 2 395.453 4.421 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000571249830 823155729 /nfs/dbraw/zinc/15/57/29/823155729.db2.gz IWCYOFYNXHWUQY-AREMUKBSSA-N 1 2 399.538 4.371 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459316735 823160167 /nfs/dbraw/zinc/16/01/67/823160167.db2.gz RIHFHWCGGUFUKN-BAGYTPMASA-N 1 2 396.535 4.072 20 0 GIADLO CC(C)COC1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000056563967 823170937 /nfs/dbraw/zinc/17/09/37/823170937.db2.gz AVAVVEUYLBJTKI-INIZCTEOSA-N 1 2 394.585 4.044 20 0 GIADLO CC(C)COC1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000056563967 823170941 /nfs/dbraw/zinc/17/09/41/823170941.db2.gz AVAVVEUYLBJTKI-INIZCTEOSA-N 1 2 394.585 4.044 20 0 GIADLO CCN(C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000459363028 823172534 /nfs/dbraw/zinc/17/25/34/823172534.db2.gz RCECETJRJNEFJW-HDICACEKSA-N 1 2 397.519 4.363 20 0 GIADLO CCN(C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000459363028 823172539 /nfs/dbraw/zinc/17/25/39/823172539.db2.gz RCECETJRJNEFJW-HDICACEKSA-N 1 2 397.519 4.363 20 0 GIADLO COC(=O)c1cccnc1C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000459365691 823173797 /nfs/dbraw/zinc/17/37/97/823173797.db2.gz MCMRBSUUXVHTMI-UHFFFAOYSA-N 1 2 376.378 4.176 20 0 GIADLO COC(=O)c1cccnc1C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000459365691 823173798 /nfs/dbraw/zinc/17/37/98/823173798.db2.gz MCMRBSUUXVHTMI-UHFFFAOYSA-N 1 2 376.378 4.176 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(c3cccc(F)c3F)CC1)C2 ZINC000571374866 823174274 /nfs/dbraw/zinc/17/42/74/823174274.db2.gz XUACSROBGKIEOL-HNNXBMFYSA-N 1 2 387.474 4.322 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(c3cccc(F)c3F)CC1)CC2 ZINC000571374866 823174278 /nfs/dbraw/zinc/17/42/78/823174278.db2.gz XUACSROBGKIEOL-HNNXBMFYSA-N 1 2 387.474 4.322 20 0 GIADLO Cc1cc(C[NH2+]Cc2ccc(NC(=O)CCCOc3ccccc3)cc2)no1 ZINC000459376306 823176310 /nfs/dbraw/zinc/17/63/10/823176310.db2.gz OABTVIDKORKKMS-UHFFFAOYSA-N 1 2 379.460 4.071 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccccc1OCC(F)(F)F ZINC000056598218 823177802 /nfs/dbraw/zinc/17/78/02/823177802.db2.gz KYJXGTGVRHULKK-UHFFFAOYSA-N 1 2 390.365 4.135 20 0 GIADLO C[C@H](c1ccco1)N(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000121416260 823180724 /nfs/dbraw/zinc/18/07/24/823180724.db2.gz BYRWMMICSWLLOQ-QGZVFWFLSA-N 1 2 378.476 4.002 20 0 GIADLO C[C@@H](c1ccco1)N(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000121416109 823180771 /nfs/dbraw/zinc/18/07/71/823180771.db2.gz BYRWMMICSWLLOQ-KRWDZBQOSA-N 1 2 378.476 4.002 20 0 GIADLO C[C@@H](c1cccc(NC(=O)N2Cc3ccc(Cl)cc3C2)c1)[NH+]1CCOCC1 ZINC000459389952 823180876 /nfs/dbraw/zinc/18/08/76/823180876.db2.gz RTLVXQWSBXAYAL-HNNXBMFYSA-N 1 2 385.895 4.281 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@@H](C)c2ccc(-c3ccc(Cl)cc3)s2)n1 ZINC000459391876 823181467 /nfs/dbraw/zinc/18/14/67/823181467.db2.gz AEWAYGWWCSELBQ-NSHDSACASA-N 1 2 391.880 4.479 20 0 GIADLO CCOC[C@@H]1CC[N@H+](Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)C1 ZINC000176329582 823183535 /nfs/dbraw/zinc/18/35/35/823183535.db2.gz JIVQLUINDIWBDS-MRXNPFEDSA-N 1 2 397.544 4.127 20 0 GIADLO CCOC[C@@H]1CC[N@@H+](Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)C1 ZINC000176329582 823183538 /nfs/dbraw/zinc/18/35/38/823183538.db2.gz JIVQLUINDIWBDS-MRXNPFEDSA-N 1 2 397.544 4.127 20 0 GIADLO Cc1occc1CN(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000056623493 823183985 /nfs/dbraw/zinc/18/39/85/823183985.db2.gz ZNONKKXHDIUWPT-SFHVURJKSA-N 1 2 393.890 4.359 20 0 GIADLO C[C@@H](CC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1)n1cc[nH+]c1 ZINC000571450749 823184598 /nfs/dbraw/zinc/18/45/98/823184598.db2.gz UUBQHNYVZWQWAT-WMZOPIPTSA-N 1 2 379.464 4.028 20 0 GIADLO C[C@H]1C[N@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)CCC1(F)F ZINC000571452380 823184902 /nfs/dbraw/zinc/18/49/02/823184902.db2.gz VIAPEEMMEBQXRO-HNNXBMFYSA-N 1 2 390.478 4.085 20 0 GIADLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)CCC1(F)F ZINC000571452380 823184908 /nfs/dbraw/zinc/18/49/08/823184908.db2.gz VIAPEEMMEBQXRO-HNNXBMFYSA-N 1 2 390.478 4.085 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)n1 ZINC000459398855 823183577 /nfs/dbraw/zinc/18/35/77/823183577.db2.gz UTERIWCYRZFINK-CQSZACIVSA-N 1 2 385.386 4.142 20 0 GIADLO CC(=O)Nc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000121500951 823195368 /nfs/dbraw/zinc/19/53/68/823195368.db2.gz KJPQBVXDYKDVOZ-UHFFFAOYSA-N 1 2 388.349 4.102 20 0 GIADLO O=C(Nc1ccc(C(=O)NCCCNc2cccc[nH+]2)s1)Nc1ccccc1 ZINC000176353650 823189991 /nfs/dbraw/zinc/18/99/91/823189991.db2.gz JWORAVVOHQNFEX-UHFFFAOYSA-N 1 2 395.488 4.019 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000056658025 823191256 /nfs/dbraw/zinc/19/12/56/823191256.db2.gz AOIZWUDXDZZVHH-IBGZPJMESA-N 1 2 398.938 4.121 20 0 GIADLO COc1cc(F)ccc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000121500357 823194992 /nfs/dbraw/zinc/19/49/92/823194992.db2.gz BNRFYPWWDDCFNV-ICSRJNTNSA-N 1 2 380.423 4.081 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000571533512 823197216 /nfs/dbraw/zinc/19/72/16/823197216.db2.gz QCAPUXQXQXEFNQ-UHFFFAOYSA-N 1 2 393.535 4.210 20 0 GIADLO C[C@@H](CNC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)Cn1cc[nH+]c1 ZINC000176392552 823197332 /nfs/dbraw/zinc/19/73/32/823197332.db2.gz HODCHKRJIWSBLW-OXJNMPFZSA-N 1 2 383.492 4.308 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)N3CC[NH+](Cc4ccsc4)CC3)c2)oc1C ZINC000056730974 823201874 /nfs/dbraw/zinc/20/18/74/823201874.db2.gz DFXVQYRZZQLWFE-UHFFFAOYSA-N 1 2 396.516 4.370 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)N3CC[NH+](Cc4cccs4)CC3)c2)oc1C ZINC000056730807 823201881 /nfs/dbraw/zinc/20/18/81/823201881.db2.gz PLVPATPOUHOINA-UHFFFAOYSA-N 1 2 396.516 4.370 20 0 GIADLO CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000188221076 823205461 /nfs/dbraw/zinc/20/54/61/823205461.db2.gz JCXXQMOYHJXGEF-UHFFFAOYSA-N 1 2 388.471 4.406 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc(-c2nccs2)c1 ZINC000056777962 823212032 /nfs/dbraw/zinc/21/20/32/823212032.db2.gz VMYAZEYLKISBOB-UHFFFAOYSA-N 1 2 379.489 4.127 20 0 GIADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H](C1CC1)C(F)(F)F ZINC000571610873 823208876 /nfs/dbraw/zinc/20/88/76/823208876.db2.gz NFIROEABZKWZFX-INIZCTEOSA-N 1 2 378.398 4.349 20 0 GIADLO CCS[C@@H](C)c1noc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459516198 823209221 /nfs/dbraw/zinc/20/92/21/823209221.db2.gz BIFLHXMMVZYHGS-MAUKXSAKSA-N 1 2 375.538 4.267 20 0 GIADLO OCC1([C@H]([NH2+]Cc2nc(Cc3cccc(F)c3)no2)c2ccccc2)CCCC1 ZINC000459527346 823211984 /nfs/dbraw/zinc/21/19/84/823211984.db2.gz BRENDZIZARDRRN-JOCHJYFZSA-N 1 2 395.478 4.183 20 0 GIADLO OCC1([C@H]([NH2+]Cc2nc(Cc3ccccc3)no2)c2ccccc2)CCCC1 ZINC000459533142 823213264 /nfs/dbraw/zinc/21/32/64/823213264.db2.gz PGJXXUSPQFTMFL-JOCHJYFZSA-N 1 2 377.488 4.044 20 0 GIADLO CCOc1ccc([C@@H](COC)[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000459533405 823213515 /nfs/dbraw/zinc/21/35/15/823213515.db2.gz XTKWMRIDDGYRST-MRXNPFEDSA-N 1 2 380.282 4.031 20 0 GIADLO Oc1cccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c1Br ZINC000459536814 823214711 /nfs/dbraw/zinc/21/47/11/823214711.db2.gz CCLZOPXUWXTEOX-UHFFFAOYSA-N 1 2 379.273 4.184 20 0 GIADLO C[C@@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1C(F)(F)F ZINC000121606153 823214745 /nfs/dbraw/zinc/21/47/45/823214745.db2.gz WQZOMYAAMXYODU-GOEBONIOSA-N 1 2 378.394 4.274 20 0 GIADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)C(F)F ZINC000176483735 823218271 /nfs/dbraw/zinc/21/82/71/823218271.db2.gz RMKVVRACHHZKGZ-UHFFFAOYSA-N 1 2 391.368 4.115 20 0 GIADLO Cc1nc([C@@H](C)[N@@H+]2CCCN(C(=O)C3CC3)CC2)oc1-c1ccc(Cl)cc1 ZINC000121618867 823217186 /nfs/dbraw/zinc/21/71/86/823217186.db2.gz ULQBXHUECHJXFU-OAHLLOKOSA-N 1 2 387.911 4.309 20 0 GIADLO Cc1nc([C@@H](C)[N@H+]2CCCN(C(=O)C3CC3)CC2)oc1-c1ccc(Cl)cc1 ZINC000121618867 823217190 /nfs/dbraw/zinc/21/71/90/823217190.db2.gz ULQBXHUECHJXFU-OAHLLOKOSA-N 1 2 387.911 4.309 20 0 GIADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409451048 823221622 /nfs/dbraw/zinc/22/16/22/823221622.db2.gz DLIDNAAJKFGXDJ-PLMTUMEDSA-N 1 2 387.499 4.105 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC1(Cc2cccc(F)c2)CCC1 ZINC000188339809 823221902 /nfs/dbraw/zinc/22/19/02/823221902.db2.gz STRPPDBHZRTYTA-UHFFFAOYSA-N 1 2 392.478 4.035 20 0 GIADLO CCO[C@@H]1C[C@H]([NH2+]Cc2noc(-c3cccs3)n2)[C@H]1Sc1ccccc1 ZINC000459567481 823222038 /nfs/dbraw/zinc/22/20/38/823222038.db2.gz IMOFVYQUMXQYHO-HDMKZQKVSA-N 1 2 387.530 4.226 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000056872633 823226515 /nfs/dbraw/zinc/22/65/15/823226515.db2.gz QVUPDSBTZAMEHZ-XMMPIXPASA-N 1 2 397.478 4.368 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056848502 823223380 /nfs/dbraw/zinc/22/33/80/823223380.db2.gz GHAKPDZHGBEWRH-OAQYLSRUSA-N 1 2 378.451 4.117 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)NC(c1ccccc1)c1ccccc1 ZINC000056894211 823228981 /nfs/dbraw/zinc/22/89/81/823228981.db2.gz LDCQUTRDIDCVTO-UHFFFAOYSA-N 1 2 382.467 4.461 20 0 GIADLO CCOc1ccc([C@@H]2CCCN2C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056894660 823229276 /nfs/dbraw/zinc/22/92/76/823229276.db2.gz IBPIIWSPOXUWPT-QFIPXVFZSA-N 1 2 390.487 4.318 20 0 GIADLO C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(OC(F)F)c1 ZINC000056895356 823229388 /nfs/dbraw/zinc/22/93/88/823229388.db2.gz VVKHPEKMEXDUQB-AWEZNQCLSA-N 1 2 386.402 4.034 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000056896048 823229563 /nfs/dbraw/zinc/22/95/63/823229563.db2.gz VMLNBMHDRRNQMG-KRWDZBQOSA-N 1 2 388.393 4.365 20 0 GIADLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)Cc2cc(C)cc(C)c2)cc1 ZINC000409479382 823230455 /nfs/dbraw/zinc/23/04/55/823230455.db2.gz WPBCXGIAPXXJNH-UHFFFAOYSA-N 1 2 396.512 4.244 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)[C@H](C)c3nc(-c4ccc(C)c(F)c4)no3)[nH+]c12 ZINC000176531091 823230664 /nfs/dbraw/zinc/23/06/64/823230664.db2.gz RDKHMZOCRGWVLK-GMYLUUGSSA-N 1 2 398.463 4.150 20 0 GIADLO Cc1c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cnn1C1CCCC1 ZINC000121689584 823230819 /nfs/dbraw/zinc/23/08/19/823230819.db2.gz UPIMLROTXZGURX-UHFFFAOYSA-N 1 2 381.524 4.012 20 0 GIADLO CCn1c(=S)n(CN2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc1-c1cccc(C)c1 ZINC000121693819 823231726 /nfs/dbraw/zinc/23/17/26/823231726.db2.gz FACLTAQSZQFRSE-PKOBYXMFSA-N 1 2 396.564 4.147 20 0 GIADLO C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)c(Cl)c1 ZINC000056942819 823233285 /nfs/dbraw/zinc/23/32/85/823233285.db2.gz CRDUVURBEWOMGN-AWEZNQCLSA-N 1 2 386.858 4.284 20 0 GIADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000121750446 823243034 /nfs/dbraw/zinc/24/30/34/823243034.db2.gz DDRPKBGDLDIUNQ-UHFFFAOYSA-N 1 2 382.423 4.122 20 0 GIADLO Cc1ccc(-c2cncc(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)c2)cc1 ZINC000121780857 823249803 /nfs/dbraw/zinc/24/98/03/823249803.db2.gz SNMHOCHQDVTKRY-UHFFFAOYSA-N 1 2 382.467 4.232 20 0 GIADLO Cc1ccc(-n2cc(C[NH2+]Cc3nnc(C(C)(C)C)[nH]3)c(C(C)(C)C)n2)cc1 ZINC000459685529 823250285 /nfs/dbraw/zinc/25/02/85/823250285.db2.gz VZPTTXWHHJCAEJ-UHFFFAOYSA-N 1 2 380.540 4.184 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000121799247 823253712 /nfs/dbraw/zinc/25/37/12/823253712.db2.gz DKFFSORBZVRNDE-LJQANCHMSA-N 1 2 384.911 4.382 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000176643338 823255926 /nfs/dbraw/zinc/25/59/26/823255926.db2.gz ZBXWCMKMWYZEKZ-FGZHOGPDSA-N 1 2 392.547 4.133 20 0 GIADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000057181474 823260252 /nfs/dbraw/zinc/26/02/52/823260252.db2.gz IXCXAUQWIDGENY-UHFFFAOYSA-N 1 2 384.439 4.317 20 0 GIADLO Cc1nc(-c2ccc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)cc2)cs1 ZINC000571959525 823260743 /nfs/dbraw/zinc/26/07/43/823260743.db2.gz CMAOJINFPNVQQE-UHFFFAOYSA-N 1 2 388.496 4.293 20 0 GIADLO CCCCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@H](CC)[NH+](C)C ZINC000003552713 817484049 /nfs/dbraw/zinc/48/40/49/817484049.db2.gz LRODKTFZFROTQB-KRWDZBQOSA-N 1 2 389.569 4.130 20 0 GIADLO O=S(=O)(c1cccc2ccccc21)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000176726086 823278650 /nfs/dbraw/zinc/27/86/50/823278650.db2.gz NJKOFEWKAFSFIH-LJQANCHMSA-N 1 2 389.480 4.029 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cccc(OC(F)(F)F)c1 ZINC000409669302 823279129 /nfs/dbraw/zinc/27/91/29/823279129.db2.gz UGNOUAWACLZWIA-UHFFFAOYSA-N 1 2 394.328 4.232 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccccc1OC(F)(F)F ZINC000409657318 823275498 /nfs/dbraw/zinc/27/54/98/823275498.db2.gz OHZCADYFPMBCSG-UHFFFAOYSA-N 1 2 394.328 4.232 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2csc(C(F)(F)F)n2)C[C@H](C)O1 ZINC000188665614 823282691 /nfs/dbraw/zinc/28/26/91/823282691.db2.gz XXKMWPOEPHDMLH-TXEJJXNPSA-N 1 2 399.438 4.023 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2csc(C(F)(F)F)n2)C[C@H](C)O1 ZINC000188665614 823282697 /nfs/dbraw/zinc/28/26/97/823282697.db2.gz XXKMWPOEPHDMLH-TXEJJXNPSA-N 1 2 399.438 4.023 20 0 GIADLO Cn1c(COc2ccccc2Cl)nn(C[NH+]2CCCCCCC2)c1=S ZINC000007074983 817753665 /nfs/dbraw/zinc/75/36/65/817753665.db2.gz XIQSUQPLDIAJOU-UHFFFAOYSA-N 1 2 380.945 4.407 20 0 GIADLO Cc1cc(N2CCN(C(=S)Nc3cccc(C)c3C)CC2)nc(C(C)C)[nH+]1 ZINC000007326628 817818690 /nfs/dbraw/zinc/81/86/90/817818690.db2.gz NFEMAHIPLOZHMN-UHFFFAOYSA-N 1 2 383.565 4.044 20 0 GIADLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057406391 823292016 /nfs/dbraw/zinc/29/20/16/823292016.db2.gz QLIUKRMOGLQBID-INIZCTEOSA-N 1 2 391.437 4.163 20 0 GIADLO CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000409729049 823292662 /nfs/dbraw/zinc/29/26/62/823292662.db2.gz QMIWLIKEQPMEDF-SFHVURJKSA-N 1 2 382.504 4.050 20 0 GIADLO CC(=O)NC1CCC(N(C)c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000409732379 823293551 /nfs/dbraw/zinc/29/35/51/823293551.db2.gz DISDKCJUVPSDOF-UHFFFAOYSA-N 1 2 394.288 4.020 20 0 GIADLO O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000188771952 823301501 /nfs/dbraw/zinc/30/15/01/823301501.db2.gz AVSDCLXCXYMPFL-HNNXBMFYSA-N 1 2 397.862 4.193 20 0 GIADLO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000007856627 817940607 /nfs/dbraw/zinc/94/06/07/817940607.db2.gz BEPFPYBFMOQEQY-KNQAVFIVSA-N 1 2 379.529 4.129 20 0 GIADLO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000007856627 817940612 /nfs/dbraw/zinc/94/06/12/817940612.db2.gz BEPFPYBFMOQEQY-KNQAVFIVSA-N 1 2 379.529 4.129 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2ccnc(OC3CCC3)c2)no1 ZINC000572203788 823299419 /nfs/dbraw/zinc/29/94/19/823299419.db2.gz RQKZBBPAGWZTID-UHFFFAOYSA-N 1 2 397.385 4.048 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(Cl)c2)c(Br)c1 ZINC000008120049 818003372 /nfs/dbraw/zinc/00/33/72/818003372.db2.gz YFYXGRXLXQPYKM-UHFFFAOYSA-N 1 2 381.701 4.481 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cccc(Cl)c2)c(Br)c1 ZINC000008120049 818003384 /nfs/dbraw/zinc/00/33/84/818003384.db2.gz YFYXGRXLXQPYKM-UHFFFAOYSA-N 1 2 381.701 4.481 20 0 GIADLO O=C(/C=C/c1ccc2ccccc2n1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000122096220 823305820 /nfs/dbraw/zinc/30/58/20/823305820.db2.gz CUHIHLSEHNARLZ-VAWYXSNFSA-N 1 2 384.439 4.162 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(Cc2ccc(C)o2)C2CC2)s1 ZINC000122096857 823305943 /nfs/dbraw/zinc/30/59/43/823305943.db2.gz VUMVSHYPNRNLNX-HNNXBMFYSA-N 1 2 375.538 4.099 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(Cc2ccc(C)o2)C2CC2)s1 ZINC000122096857 823305949 /nfs/dbraw/zinc/30/59/49/823305949.db2.gz VUMVSHYPNRNLNX-HNNXBMFYSA-N 1 2 375.538 4.099 20 0 GIADLO C[C@@H](CC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000572291257 823314682 /nfs/dbraw/zinc/31/46/82/823314682.db2.gz GDEZLDCVVRATEL-JTQLQIEISA-N 1 2 395.303 4.433 20 0 GIADLO O=C(CCc1cc(Br)cs1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409809576 823313323 /nfs/dbraw/zinc/31/33/23/823313323.db2.gz DJGYEEGUSWOBAC-UHFFFAOYSA-N 1 2 394.269 4.407 20 0 GIADLO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000057622277 823316112 /nfs/dbraw/zinc/31/61/12/823316112.db2.gz LTRQAOHKFOFPRI-GOSISDBHSA-N 1 2 384.480 4.063 20 0 GIADLO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000057622277 823316115 /nfs/dbraw/zinc/31/61/15/823316115.db2.gz LTRQAOHKFOFPRI-GOSISDBHSA-N 1 2 384.480 4.063 20 0 GIADLO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000057622275 823316132 /nfs/dbraw/zinc/31/61/32/823316132.db2.gz LTRQAOHKFOFPRI-SFHVURJKSA-N 1 2 384.480 4.063 20 0 GIADLO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000057622275 823316137 /nfs/dbraw/zinc/31/61/37/823316137.db2.gz LTRQAOHKFOFPRI-SFHVURJKSA-N 1 2 384.480 4.063 20 0 GIADLO CCc1ccc(NC(=O)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000188845100 823316420 /nfs/dbraw/zinc/31/64/20/823316420.db2.gz LVBUGVYMYOPONT-UHFFFAOYSA-N 1 2 388.471 4.026 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)o1 ZINC000409824634 823317647 /nfs/dbraw/zinc/31/76/47/823317647.db2.gz ADPPSWUYBZRZBY-QXCFHYIPSA-N 1 2 379.504 4.208 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)o1 ZINC000409824629 823317661 /nfs/dbraw/zinc/31/76/61/823317661.db2.gz ADPPSWUYBZRZBY-BVBHFADKSA-N 1 2 379.504 4.208 20 0 GIADLO O=C(C(Cc1ccccc1)Cc1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000409832092 823319862 /nfs/dbraw/zinc/31/98/62/823319862.db2.gz LVWVSLFYCIGHOQ-DEOSSOPVSA-N 1 2 386.495 4.163 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000014326602 818234992 /nfs/dbraw/zinc/23/49/92/818234992.db2.gz DBSLPLZRDVDGKH-CQSZACIVSA-N 1 2 397.500 4.463 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3nc(-c4ccccc4C)no3)CC2)cc1 ZINC000014326651 818235111 /nfs/dbraw/zinc/23/51/11/818235111.db2.gz ZTASCYOKSVXSIS-UHFFFAOYSA-N 1 2 391.471 4.149 20 0 GIADLO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000572330538 823322272 /nfs/dbraw/zinc/32/22/72/823322272.db2.gz VLNIOYJMGBRWBR-LJQANCHMSA-N 1 2 387.405 4.082 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccccc2Br)s1 ZINC000122214875 823322603 /nfs/dbraw/zinc/32/26/03/823322603.db2.gz IDZKEBUOOXNVKE-GFCCVEGCSA-N 1 2 396.354 4.408 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccccc2Br)s1 ZINC000122214875 823322610 /nfs/dbraw/zinc/32/26/10/823322610.db2.gz IDZKEBUOOXNVKE-GFCCVEGCSA-N 1 2 396.354 4.408 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)CC1 ZINC000014628434 818255345 /nfs/dbraw/zinc/25/53/45/818255345.db2.gz TWZWAEQGGNISRE-UHFFFAOYSA-N 1 2 394.884 4.189 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2ccccc2)n1CC ZINC000460228472 823323847 /nfs/dbraw/zinc/32/38/47/823323847.db2.gz GHGWCNGGAUDQDR-UHFFFAOYSA-N 1 2 390.535 4.103 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccccc2OCCn2cc[nH+]c2)o1 ZINC000409852981 823326768 /nfs/dbraw/zinc/32/67/68/823326768.db2.gz MAVZYXYFSBNYTO-OWSLCNJRSA-N 1 2 391.471 4.421 20 0 GIADLO CC(C)c1ccc(-c2noc(C[N@H+](C)C[C@H]3COc4ccccc4O3)n2)cc1 ZINC000015297205 818308565 /nfs/dbraw/zinc/30/85/65/818308565.db2.gz OBNHAMAMYMYTOT-SFHVURJKSA-N 1 2 379.460 4.132 20 0 GIADLO CC(C)c1ccc(-c2noc(C[N@@H+](C)C[C@H]3COc4ccccc4O3)n2)cc1 ZINC000015297205 818308574 /nfs/dbraw/zinc/30/85/74/818308574.db2.gz OBNHAMAMYMYTOT-SFHVURJKSA-N 1 2 379.460 4.132 20 0 GIADLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000015442546 818326301 /nfs/dbraw/zinc/32/63/01/818326301.db2.gz GZRKUFDCPBMHRG-UHFFFAOYSA-N 1 2 381.520 4.146 20 0 GIADLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000015442546 818326308 /nfs/dbraw/zinc/32/63/08/818326308.db2.gz GZRKUFDCPBMHRG-UHFFFAOYSA-N 1 2 381.520 4.146 20 0 GIADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc(Cl)nc(Cl)c3)CC2)cc1 ZINC000015766741 818366381 /nfs/dbraw/zinc/36/63/81/818366381.db2.gz FQIVCVFWCGZNED-UHFFFAOYSA-N 1 2 392.330 4.470 20 0 GIADLO O=C(c1cccc2cccnc21)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015767891 818367217 /nfs/dbraw/zinc/36/72/17/818367217.db2.gz LQCNMEAGQJAFPF-UHFFFAOYSA-N 1 2 399.416 4.212 20 0 GIADLO Cc1cc(C)c(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c(C)[nH+]1 ZINC000409880750 823334715 /nfs/dbraw/zinc/33/47/15/823334715.db2.gz SGBJSSCPTJRRLE-UHFFFAOYSA-N 1 2 376.338 4.328 20 0 GIADLO Cc1ccc(CC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000016237678 818407989 /nfs/dbraw/zinc/40/79/89/818407989.db2.gz MPRQDHZCIVGEMR-UHFFFAOYSA-N 1 2 377.513 4.191 20 0 GIADLO Cc1ccc(CC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000016237678 818407992 /nfs/dbraw/zinc/40/79/92/818407992.db2.gz MPRQDHZCIVGEMR-UHFFFAOYSA-N 1 2 377.513 4.191 20 0 GIADLO C[C@H](O)[C@H]([NH2+][C@H]1CCc2c1c(Br)ccc2F)c1ccccc1F ZINC000572413716 823334820 /nfs/dbraw/zinc/33/48/20/823334820.db2.gz QGZZMPFBIYEOSW-BMIZZYGASA-N 1 2 382.248 4.426 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)c1cc(-c2ccccn2)ccc1Cl ZINC000122303633 823335106 /nfs/dbraw/zinc/33/51/06/823335106.db2.gz CEMDPQCQDSVJOG-UHFFFAOYSA-N 1 2 380.879 4.419 20 0 GIADLO Cc1ccc([C@H](NC(=O)N2CCn3c[nH+]cc3C2)c2ccc(F)cc2Cl)cc1 ZINC000460266660 823335185 /nfs/dbraw/zinc/33/51/85/823335185.db2.gz NMONAVJJCXTUEQ-FQEVSTJZSA-N 1 2 398.869 4.299 20 0 GIADLO COc1cccc(C[N@H+](C)Cc2nc(-c3cccc(Br)c3)no2)c1 ZINC000016356380 818428504 /nfs/dbraw/zinc/42/85/04/818428504.db2.gz SCJKHJAIMCIYMV-UHFFFAOYSA-N 1 2 388.265 4.140 20 0 GIADLO COc1cccc(C[N@@H+](C)Cc2nc(-c3cccc(Br)c3)no2)c1 ZINC000016356380 818428507 /nfs/dbraw/zinc/42/85/07/818428507.db2.gz SCJKHJAIMCIYMV-UHFFFAOYSA-N 1 2 388.265 4.140 20 0 GIADLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@H+](C)[C@H](C)c1cccs1 ZINC000016434840 818442107 /nfs/dbraw/zinc/44/21/07/818442107.db2.gz TVVRNOVRMDCLGM-GFCCVEGCSA-N 1 2 380.535 4.180 20 0 GIADLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@@H+](C)[C@H](C)c1cccs1 ZINC000016434840 818442110 /nfs/dbraw/zinc/44/21/10/818442110.db2.gz TVVRNOVRMDCLGM-GFCCVEGCSA-N 1 2 380.535 4.180 20 0 GIADLO CN(C(=O)C[N@H+](Cc1ccncc1)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000122326622 823338393 /nfs/dbraw/zinc/33/83/93/823338393.db2.gz FWJQXXLUSYNXCT-UHFFFAOYSA-N 1 2 385.511 4.294 20 0 GIADLO CN(C(=O)C[N@@H+](Cc1ccncc1)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000122326622 823338398 /nfs/dbraw/zinc/33/83/98/823338398.db2.gz FWJQXXLUSYNXCT-UHFFFAOYSA-N 1 2 385.511 4.294 20 0 GIADLO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000057862246 823342941 /nfs/dbraw/zinc/34/29/41/823342941.db2.gz OGGXIDLVAOQPFI-UHFFFAOYSA-N 1 2 387.749 4.183 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc(Br)cc1 ZINC000122356014 823343035 /nfs/dbraw/zinc/34/30/35/823343035.db2.gz MPEGFBPUHQKDBU-UHFFFAOYSA-N 1 2 389.297 4.156 20 0 GIADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cscc1Br ZINC000572444244 823340290 /nfs/dbraw/zinc/34/02/90/823340290.db2.gz MZJSOWVBLJOWPO-GFCCVEGCSA-N 1 2 377.311 4.284 20 0 GIADLO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cscc1Br ZINC000572444244 823340298 /nfs/dbraw/zinc/34/02/98/823340298.db2.gz MZJSOWVBLJOWPO-GFCCVEGCSA-N 1 2 377.311 4.284 20 0 GIADLO C[C@@H](NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000017308149 818507293 /nfs/dbraw/zinc/50/72/93/818507293.db2.gz YVBRLVAPOMKLBD-QAPCUYQASA-N 1 2 392.952 4.260 20 0 GIADLO C[C@@H](NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000017308149 818507300 /nfs/dbraw/zinc/50/73/00/818507300.db2.gz YVBRLVAPOMKLBD-QAPCUYQASA-N 1 2 392.952 4.260 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc2ccc(Cl)cc2n1 ZINC000176981086 823341494 /nfs/dbraw/zinc/34/14/94/823341494.db2.gz HBPXOIMBDKOASB-UHFFFAOYSA-N 1 2 392.846 4.416 20 0 GIADLO Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4cc[nH+]c(C)c4)cc3C2=O)c1 ZINC000017820811 818528337 /nfs/dbraw/zinc/52/83/37/818528337.db2.gz NBZKGZBMWMEBTI-UHFFFAOYSA-N 1 2 385.423 4.060 20 0 GIADLO Cc1cc(Br)cc2c1[C@@H]([NH2+]Cc1n[nH]cc1Br)CC2 ZINC000572459181 823344110 /nfs/dbraw/zinc/34/41/10/823344110.db2.gz SHJSCZUVRRAQLI-LBPRGKRZSA-N 1 2 385.103 4.020 20 0 GIADLO COCC[N@H+](Cc1scnc1C)Cc1ccc(OCc2ccccc2)nc1 ZINC000572494428 823349673 /nfs/dbraw/zinc/34/96/73/823349673.db2.gz VVLJKRNQUIPOMU-UHFFFAOYSA-N 1 2 383.517 4.074 20 0 GIADLO COCC[N@@H+](Cc1scnc1C)Cc1ccc(OCc2ccccc2)nc1 ZINC000572494428 823349680 /nfs/dbraw/zinc/34/96/80/823349680.db2.gz VVLJKRNQUIPOMU-UHFFFAOYSA-N 1 2 383.517 4.074 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000021131419 818656937 /nfs/dbraw/zinc/65/69/37/818656937.db2.gz ZFVGURAEFPCSLV-UHFFFAOYSA-N 1 2 391.496 4.292 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000021131419 818656942 /nfs/dbraw/zinc/65/69/42/818656942.db2.gz ZFVGURAEFPCSLV-UHFFFAOYSA-N 1 2 391.496 4.292 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1C ZINC000021297398 818673203 /nfs/dbraw/zinc/67/32/03/818673203.db2.gz ANDRYXYMBAWRGD-GOSISDBHSA-N 1 2 387.911 4.054 20 0 GIADLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)[nH+]1 ZINC000022089923 818771210 /nfs/dbraw/zinc/77/12/10/818771210.db2.gz BLEQCDYQBLCXTA-OAHLLOKOSA-N 1 2 394.500 4.066 20 0 GIADLO Cc1ccc(CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C2CC2)cc1C ZINC000572568249 823362742 /nfs/dbraw/zinc/36/27/42/823362742.db2.gz KJTGCAOUGCIGDJ-UHFFFAOYSA-N 1 2 388.515 4.422 20 0 GIADLO O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)N1CCn2c[nH+]cc2C1 ZINC000460356525 823362707 /nfs/dbraw/zinc/36/27/07/823362707.db2.gz BHOABWYZFAUUNT-UHFFFAOYSA-N 1 2 384.842 4.068 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 ZINC000022240771 818784848 /nfs/dbraw/zinc/78/48/48/818784848.db2.gz PXYAKEWMENRWRF-UHFFFAOYSA-N 1 2 395.528 4.121 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 ZINC000022240771 818784854 /nfs/dbraw/zinc/78/48/54/818784854.db2.gz PXYAKEWMENRWRF-UHFFFAOYSA-N 1 2 395.528 4.121 20 0 GIADLO C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022288812 818790071 /nfs/dbraw/zinc/79/00/71/818790071.db2.gz AMACSARLJZWFEX-ZDUSSCGKSA-N 1 2 379.913 4.188 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(F)ccc1Br ZINC000022290233 818790674 /nfs/dbraw/zinc/79/06/74/818790674.db2.gz FBZVOXAVHOXHPE-UHFFFAOYSA-N 1 2 398.301 4.283 20 0 GIADLO CC(C)(C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1csc(-c2cccs2)n1 ZINC000409993880 823365398 /nfs/dbraw/zinc/36/53/98/823365398.db2.gz SYDDREHESWLFIL-HNNXBMFYSA-N 1 2 399.541 4.224 20 0 GIADLO CN(C)C(=O)Sc1cccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)c1 ZINC000177078283 823365718 /nfs/dbraw/zinc/36/57/18/823365718.db2.gz INQQSPZZQHWOGU-UHFFFAOYSA-N 1 2 375.563 4.428 20 0 GIADLO CN(C)C(=O)Sc1cccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)c1 ZINC000177078283 823365724 /nfs/dbraw/zinc/36/57/24/823365724.db2.gz INQQSPZZQHWOGU-UHFFFAOYSA-N 1 2 375.563 4.428 20 0 GIADLO Clc1ccc(CN2CCC[N@H+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000023009211 818887674 /nfs/dbraw/zinc/88/76/74/818887674.db2.gz VZMIPTXSGZDOAX-UHFFFAOYSA-N 1 2 382.895 4.098 20 0 GIADLO Clc1ccc(CN2CCC[N@@H+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000023009211 818887677 /nfs/dbraw/zinc/88/76/77/818887677.db2.gz VZMIPTXSGZDOAX-UHFFFAOYSA-N 1 2 382.895 4.098 20 0 GIADLO CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000572622985 823370885 /nfs/dbraw/zinc/37/08/85/823370885.db2.gz KEWVHZKATWJLGK-HXUWFJFHSA-N 1 2 380.488 4.357 20 0 GIADLO CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000572622985 823370893 /nfs/dbraw/zinc/37/08/93/823370893.db2.gz KEWVHZKATWJLGK-HXUWFJFHSA-N 1 2 380.488 4.357 20 0 GIADLO COc1cccc(Oc2ccc(NC(=O)N(C)CCCn3cc[nH+]c3)cc2)c1 ZINC000122552929 823371535 /nfs/dbraw/zinc/37/15/35/823371535.db2.gz VWPOBHSNNNELEF-UHFFFAOYSA-N 1 2 380.448 4.238 20 0 GIADLO COc1ccccc1[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1Cl ZINC000572647237 823374768 /nfs/dbraw/zinc/37/47/68/823374768.db2.gz GBJNWHNLAAZUCC-VFNWGFHPSA-N 1 2 395.890 4.013 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(Cl)cc1C1CCCCC1 ZINC000058298283 823376175 /nfs/dbraw/zinc/37/61/75/823376175.db2.gz QUIWVEVRBHAWOH-HNNXBMFYSA-N 1 2 375.900 4.168 20 0 GIADLO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000058298359 823376202 /nfs/dbraw/zinc/37/62/02/823376202.db2.gz YCLRZMFWXPSVHS-HNNXBMFYSA-N 1 2 396.516 4.139 20 0 GIADLO COCCOC1CC[NH+](Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000124834310 823629636 /nfs/dbraw/zinc/62/96/36/823629636.db2.gz AJSWUZYZBIRALU-UHFFFAOYSA-N 1 2 396.247 4.095 20 0 GIADLO CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000122617777 823382591 /nfs/dbraw/zinc/38/25/91/823382591.db2.gz PMIJVGUPACNWAV-DGCLKSJQSA-N 1 2 392.468 4.065 20 0 GIADLO CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000410085069 823386628 /nfs/dbraw/zinc/38/66/28/823386628.db2.gz SMZUKMXEARQPAZ-IIBYNOLFSA-N 1 2 387.487 4.325 20 0 GIADLO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC000177164136 823388247 /nfs/dbraw/zinc/38/82/47/823388247.db2.gz VCAFJDRCTYHCLT-CQSZACIVSA-N 1 2 378.929 4.139 20 0 GIADLO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC000177164136 823388252 /nfs/dbraw/zinc/38/82/52/823388252.db2.gz VCAFJDRCTYHCLT-CQSZACIVSA-N 1 2 378.929 4.139 20 0 GIADLO CO[C@@H]1C[N@H+](Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)CC[C@@H]1C ZINC000189292200 823388520 /nfs/dbraw/zinc/38/85/20/823388520.db2.gz SNKMNNNLTFQROC-WMLDXEAASA-N 1 2 397.544 4.125 20 0 GIADLO CO[C@@H]1C[N@@H+](Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)CC[C@@H]1C ZINC000189292200 823388525 /nfs/dbraw/zinc/38/85/25/823388525.db2.gz SNKMNNNLTFQROC-WMLDXEAASA-N 1 2 397.544 4.125 20 0 GIADLO Cc1cc(F)cc2[nH]c(C(=O)N3CC[NH+](C/C=C\c4ccccc4)CC3)cc21 ZINC000572756227 823393465 /nfs/dbraw/zinc/39/34/65/823393465.db2.gz RSPBVWMHPZUGMY-YVMONPNESA-N 1 2 377.463 4.087 20 0 GIADLO Cc1nc([C@H](C)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)no1 ZINC000572767049 823395052 /nfs/dbraw/zinc/39/50/52/823395052.db2.gz XWQGZCGPOYCRNU-KKSFZXQISA-N 1 2 396.922 4.500 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=S)Nc2ccc(OC(F)(F)F)cc2)c1C ZINC000058466562 823395766 /nfs/dbraw/zinc/39/57/66/823395766.db2.gz BLINEWICMOZNPX-UHFFFAOYSA-N 1 2 399.438 4.434 20 0 GIADLO Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000410149189 823402189 /nfs/dbraw/zinc/40/21/89/823402189.db2.gz HMWGPIOJSHBBBQ-AWEZNQCLSA-N 1 2 393.940 4.497 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058514423 823402316 /nfs/dbraw/zinc/40/23/16/823402316.db2.gz LTQNCYOEKRCQSJ-UHFFFAOYSA-N 1 2 377.872 4.341 20 0 GIADLO Fc1ccccc1-n1ccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000189380078 823404632 /nfs/dbraw/zinc/40/46/32/823404632.db2.gz AGDPXUNNOJUUQU-OAHLLOKOSA-N 1 2 393.388 4.064 20 0 GIADLO Fc1ccccc1-n1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000189380078 823404635 /nfs/dbraw/zinc/40/46/35/823404635.db2.gz AGDPXUNNOJUUQU-OAHLLOKOSA-N 1 2 393.388 4.064 20 0 GIADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)c1ccccc1 ZINC000189381240 823405012 /nfs/dbraw/zinc/40/50/12/823405012.db2.gz NJWNFSJMDIYZJD-FQEVSTJZSA-N 1 2 381.451 4.184 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000572847895 823408948 /nfs/dbraw/zinc/40/89/48/823408948.db2.gz WEXVYNNNQNNLFE-FXAWDEMLSA-N 1 2 398.869 4.079 20 0 GIADLO CC(C)(C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1)c1cccc(Cl)c1F ZINC000572826798 823406456 /nfs/dbraw/zinc/40/64/56/823406456.db2.gz BETUWCJZWAQMLP-QGZVFWFLSA-N 1 2 376.838 4.393 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(Br)ccc2C)c1C ZINC000058628853 823419607 /nfs/dbraw/zinc/41/96/07/823419607.db2.gz BGTWKKFMLMYUBB-UHFFFAOYSA-N 1 2 392.297 4.442 20 0 GIADLO C[C@H](CCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)CC(C)(C)C ZINC000189474351 823425002 /nfs/dbraw/zinc/42/50/02/823425002.db2.gz FXHFMNRLXSGPLA-QGZVFWFLSA-N 1 2 384.524 4.104 20 0 GIADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(c2ccccc2Br)CCCCC1 ZINC000572957223 823426567 /nfs/dbraw/zinc/42/65/67/823426567.db2.gz XJEHJGDOHCHCEF-UHFFFAOYSA-N 1 2 390.325 4.041 20 0 GIADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000122876265 823427449 /nfs/dbraw/zinc/42/74/49/823427449.db2.gz MJYDZEAQXILXGY-INIZCTEOSA-N 1 2 381.501 4.312 20 0 GIADLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000122876265 823427452 /nfs/dbraw/zinc/42/74/52/823427452.db2.gz MJYDZEAQXILXGY-INIZCTEOSA-N 1 2 381.501 4.312 20 0 GIADLO Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000122891204 823429570 /nfs/dbraw/zinc/42/95/70/823429570.db2.gz AHHFOCJFIWQURT-GCJKJVERSA-N 1 2 387.483 4.146 20 0 GIADLO CC(C)c1ccc(NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000122885341 823429033 /nfs/dbraw/zinc/42/90/33/823429033.db2.gz DOMVCERLJLLAHK-UHFFFAOYSA-N 1 2 394.519 4.035 20 0 GIADLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000189495153 823430438 /nfs/dbraw/zinc/43/04/38/823430438.db2.gz IOQLJXFUSLPABE-KUHUBIRLSA-N 1 2 376.859 4.270 20 0 GIADLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCC(=O)Nc1ccccc1F ZINC000189495153 823430440 /nfs/dbraw/zinc/43/04/40/823430440.db2.gz IOQLJXFUSLPABE-KUHUBIRLSA-N 1 2 376.859 4.270 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Nc2cccc3ccn(C)c32)C[C@@H](C)O1 ZINC000189501024 823432194 /nfs/dbraw/zinc/43/21/94/823432194.db2.gz KJTPSMBEQYFCRF-IAGOWNOFSA-N 1 2 392.503 4.432 20 0 GIADLO CCN(Cc1cccc(Br)c1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410251731 823434674 /nfs/dbraw/zinc/43/46/74/823434674.db2.gz UPCMJOSBWJVABT-UHFFFAOYSA-N 1 2 398.304 4.356 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1C ZINC000024666738 819861888 /nfs/dbraw/zinc/86/18/88/819861888.db2.gz XZOKCFPJJFPLBO-NVXWUHKLSA-N 1 2 393.487 4.426 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1C ZINC000024666738 819861896 /nfs/dbraw/zinc/86/18/96/819861896.db2.gz XZOKCFPJJFPLBO-NVXWUHKLSA-N 1 2 393.487 4.426 20 0 GIADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410250554 823434121 /nfs/dbraw/zinc/43/41/21/823434121.db2.gz FJABSFVLHZBAKC-HZPDHXFCSA-N 1 2 387.911 4.046 20 0 GIADLO Cc1cc(C)cc(OCCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410250192 823434171 /nfs/dbraw/zinc/43/41/71/823434171.db2.gz DAKXLFQTAGGZDQ-LJQANCHMSA-N 1 2 381.520 4.011 20 0 GIADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024752252 819873192 /nfs/dbraw/zinc/87/31/92/819873192.db2.gz JQXQAPSGJHKLFL-QIJUGHKUSA-N 1 2 383.536 4.025 20 0 GIADLO CCc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cnn1-c1ccc(F)cc1 ZINC000024792772 819877266 /nfs/dbraw/zinc/87/72/66/819877266.db2.gz YASGXHFCKFZLTD-UHFFFAOYSA-N 1 2 375.407 4.012 20 0 GIADLO O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410255857 823436102 /nfs/dbraw/zinc/43/61/02/823436102.db2.gz LCDFIIQYIZLQAV-OAGGEKHMSA-N 1 2 383.458 4.294 20 0 GIADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410257766 823436956 /nfs/dbraw/zinc/43/69/56/823436956.db2.gz SFOGWGIWDGQQPD-SJLPKXTDSA-N 1 2 385.939 4.458 20 0 GIADLO C[C@@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025058509 819917834 /nfs/dbraw/zinc/91/78/34/819917834.db2.gz LIBOVCGNLFDZTE-KRWDZBQOSA-N 1 2 394.540 4.109 20 0 GIADLO Cc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000410260786 823438104 /nfs/dbraw/zinc/43/81/04/823438104.db2.gz VVRLWTGXJZMDPO-FQEVSTJZSA-N 1 2 393.531 4.205 20 0 GIADLO CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000122962729 823440654 /nfs/dbraw/zinc/44/06/54/823440654.db2.gz RZBRSQXHQVETLI-GOSISDBHSA-N 1 2 382.504 4.050 20 0 GIADLO O=C(c1ccc[nH]1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000058725012 823440148 /nfs/dbraw/zinc/44/01/48/823440148.db2.gz YMGZDCLVZBXAOP-UHFFFAOYSA-N 1 2 385.920 4.355 20 0 GIADLO O=C([C@@H]1CCOc2ccc(Cl)cc21)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410268030 823441754 /nfs/dbraw/zinc/44/17/54/823441754.db2.gz ABWOHJFGNHTIGQ-MAUKXSAKSA-N 1 2 399.922 4.145 20 0 GIADLO COc1cnccc1[C@@H](C)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000189551978 823442311 /nfs/dbraw/zinc/44/23/11/823442311.db2.gz KBWBYDJJCMPFGZ-GFCCVEGCSA-N 1 2 387.281 4.094 20 0 GIADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)Nc1ccc(OC(F)F)cc1 ZINC000025417721 819977696 /nfs/dbraw/zinc/97/76/96/819977696.db2.gz PYWGCUXIKRGFHK-HXUWFJFHSA-N 1 2 383.398 4.001 20 0 GIADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)Nc1ccccc1Br ZINC000025416822 819977881 /nfs/dbraw/zinc/97/78/81/819977881.db2.gz JEDCOZMMTXBUQD-FQEVSTJZSA-N 1 2 396.288 4.162 20 0 GIADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)Nc1ccc(OC(F)F)cc1 ZINC000025417716 819978079 /nfs/dbraw/zinc/97/80/79/819978079.db2.gz PYWGCUXIKRGFHK-FQEVSTJZSA-N 1 2 383.398 4.001 20 0 GIADLO COc1ccc(OC)c(C[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1 ZINC000025498741 819991961 /nfs/dbraw/zinc/99/19/61/819991961.db2.gz FDGLRLPGNURDGS-QHCPKHFHSA-N 1 2 390.483 4.482 20 0 GIADLO Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2OC(F)(F)F)cc1 ZINC000025534157 819998713 /nfs/dbraw/zinc/99/87/13/819998713.db2.gz BPZROYKILDDCIQ-HNNXBMFYSA-N 1 2 380.410 4.030 20 0 GIADLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2OC(F)(F)F)cc1 ZINC000025534157 819998717 /nfs/dbraw/zinc/99/87/17/819998717.db2.gz BPZROYKILDDCIQ-HNNXBMFYSA-N 1 2 380.410 4.030 20 0 GIADLO Cc1ccc(OCCCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000410280342 823446587 /nfs/dbraw/zinc/44/65/87/823446587.db2.gz WSEYBUQEBKRYFK-HXUWFJFHSA-N 1 2 395.547 4.401 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000025680377 820013576 /nfs/dbraw/zinc/01/35/76/820013576.db2.gz WKKFOIVVSYOBMY-AWEZNQCLSA-N 1 2 388.414 4.110 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000025680377 820013590 /nfs/dbraw/zinc/01/35/90/820013590.db2.gz WKKFOIVVSYOBMY-AWEZNQCLSA-N 1 2 388.414 4.110 20 0 GIADLO Cc1ccc(OCCCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000410280339 823446696 /nfs/dbraw/zinc/44/66/96/823446696.db2.gz WSEYBUQEBKRYFK-FQEVSTJZSA-N 1 2 395.547 4.401 20 0 GIADLO Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c(C)[nH+]1 ZINC000177375957 823448981 /nfs/dbraw/zinc/44/89/81/823448981.db2.gz FRBNWBWBJWKEHE-UHFFFAOYSA-N 1 2 386.498 4.153 20 0 GIADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000026215925 820069928 /nfs/dbraw/zinc/06/99/28/820069928.db2.gz CRRYTCUIKZFNHS-UHFFFAOYSA-N 1 2 397.906 4.101 20 0 GIADLO CCOc1cc(Cl)ccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410289126 823450794 /nfs/dbraw/zinc/45/07/94/823450794.db2.gz OOVKQDDZOCMZIB-OAHLLOKOSA-N 1 2 387.911 4.291 20 0 GIADLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000026319974 820082679 /nfs/dbraw/zinc/08/26/79/820082679.db2.gz ZTONGRWNJKCXTG-CYBMUJFWSA-N 1 2 385.851 4.370 20 0 GIADLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000026319974 820082687 /nfs/dbraw/zinc/08/26/87/820082687.db2.gz ZTONGRWNJKCXTG-CYBMUJFWSA-N 1 2 385.851 4.370 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)c(OC)c1 ZINC000026324074 820083595 /nfs/dbraw/zinc/08/35/95/820083595.db2.gz PYXYGYWBCQSQTA-JKSUJKDBSA-N 1 2 396.487 4.148 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)c(OC)c1 ZINC000026324074 820083604 /nfs/dbraw/zinc/08/36/04/820083604.db2.gz PYXYGYWBCQSQTA-JKSUJKDBSA-N 1 2 396.487 4.148 20 0 GIADLO O=C(CSc1ccc2c(c1)CCC2)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410291621 823451739 /nfs/dbraw/zinc/45/17/39/823451739.db2.gz VMYOFIPFDIVLCL-IBGZPJMESA-N 1 2 395.572 4.206 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2C)ccc1OC(F)F ZINC000026454185 820100334 /nfs/dbraw/zinc/10/03/34/820100334.db2.gz WAYCDTYZUCBBJB-UHFFFAOYSA-N 1 2 392.446 4.374 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2C)ccc1OC(F)F ZINC000026454185 820100338 /nfs/dbraw/zinc/10/03/38/820100338.db2.gz WAYCDTYZUCBBJB-UHFFFAOYSA-N 1 2 392.446 4.374 20 0 GIADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)NCC1(c2ccccc2)CCCC1 ZINC000026476176 820102441 /nfs/dbraw/zinc/10/24/41/820102441.db2.gz HLZCJZMPBMMWGB-RUZDIDTESA-N 1 2 399.538 4.389 20 0 GIADLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)[nH+]1 ZINC000026513341 820107285 /nfs/dbraw/zinc/10/72/85/820107285.db2.gz PGEDSIUWXSIERZ-HNNXBMFYSA-N 1 2 378.501 4.077 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1)Nc1cc(F)ccc1F ZINC000026673278 820130933 /nfs/dbraw/zinc/13/09/33/820130933.db2.gz KEJFYFXWUHKFLJ-HNNXBMFYSA-N 1 2 380.822 4.100 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1)Nc1cc(F)ccc1F ZINC000026673278 820130935 /nfs/dbraw/zinc/13/09/35/820130935.db2.gz KEJFYFXWUHKFLJ-HNNXBMFYSA-N 1 2 380.822 4.100 20 0 GIADLO O=C(CO[C@H]1CCCc2ccccc21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410301864 823456332 /nfs/dbraw/zinc/45/63/32/823456332.db2.gz BGPWUULVRYLRRO-KNQAVFIVSA-N 1 2 393.531 4.020 20 0 GIADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)N1CCC(Cc2ccccc2)CC1 ZINC000026877689 820156993 /nfs/dbraw/zinc/15/69/93/820156993.db2.gz GLNXDQHNAHTSPN-AREMUKBSSA-N 1 2 399.538 4.242 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)c1ccccc1F ZINC000026910549 820163189 /nfs/dbraw/zinc/16/31/89/820163189.db2.gz AYENQXKQIFKPHB-MRXNPFEDSA-N 1 2 385.266 4.127 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)c1ccccc1F ZINC000026910549 820163191 /nfs/dbraw/zinc/16/31/91/820163191.db2.gz AYENQXKQIFKPHB-MRXNPFEDSA-N 1 2 385.266 4.127 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NCc3cccc(C(F)(F)F)c3)CCCC2)no1 ZINC000123076889 823458236 /nfs/dbraw/zinc/45/82/36/823458236.db2.gz HENUUEQSALKYMO-UHFFFAOYSA-N 1 2 396.457 4.489 20 0 GIADLO Fc1ccccc1C1(c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)CCCC1 ZINC000573166537 823458581 /nfs/dbraw/zinc/45/85/81/823458581.db2.gz YJPOCATYJYFRHG-UHFFFAOYSA-N 1 2 375.407 4.317 20 0 GIADLO O=C([C@H]1CCSc2ccccc21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410308299 823458663 /nfs/dbraw/zinc/45/86/63/823458663.db2.gz OKSZHFDKNPWXMB-APWZRJJASA-N 1 2 381.545 4.205 20 0 GIADLO C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410311306 823459736 /nfs/dbraw/zinc/45/97/36/823459736.db2.gz ZUIXTCQTNUNWEY-QUCCMNQESA-N 1 2 397.588 4.495 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000027470672 820249076 /nfs/dbraw/zinc/24/90/76/820249076.db2.gz XCAOYSGWWRTPFF-UHFFFAOYSA-N 1 2 395.506 4.422 20 0 GIADLO COc1ccc([C@@H](CNC(=O)c2ccc(O)c(Cl)c2)[NH+]2CCCCC2)cc1 ZINC000027667237 820273211 /nfs/dbraw/zinc/27/32/11/820273211.db2.gz ZQHMTBWOTMFSOB-LJQANCHMSA-N 1 2 388.895 4.011 20 0 GIADLO C[C@H]1CCN(C(=O)CCCOc2cccc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000123128486 823466914 /nfs/dbraw/zinc/46/69/14/823466914.db2.gz CGLJOXAVICZQDK-RXVVDRJESA-N 1 2 377.488 4.305 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cc4ccccc4[nH]3)c2C1 ZINC000058900301 823468323 /nfs/dbraw/zinc/46/83/23/823468323.db2.gz PIPFRHMNDDZMCD-UHFFFAOYSA-N 1 2 384.483 4.024 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cc4ccccc4[nH]3)c2C1 ZINC000058900301 823468325 /nfs/dbraw/zinc/46/83/25/823468325.db2.gz PIPFRHMNDDZMCD-UHFFFAOYSA-N 1 2 384.483 4.024 20 0 GIADLO CC[C@H]([NH2+][C@H](C)C(=O)N1CCCC[C@H]1CC)c1nc(C(F)(F)F)cs1 ZINC000177464246 823468380 /nfs/dbraw/zinc/46/83/80/823468380.db2.gz HYBKNQSWBYDMTA-UPJWGTAASA-N 1 2 377.476 4.382 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cncc(-c3ccc(C)cc3)c2)c1C ZINC000177463100 823468457 /nfs/dbraw/zinc/46/84/57/823468457.db2.gz HFDXIPSHIKLHSS-UHFFFAOYSA-N 1 2 375.472 4.350 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1CC)c1nc(C(F)(F)F)cs1 ZINC000177464300 823468509 /nfs/dbraw/zinc/46/85/09/823468509.db2.gz HYBKNQSWBYDMTA-AVGNSLFASA-N 1 2 377.476 4.382 20 0 GIADLO CCc1nnc(CSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)o1 ZINC000028298262 820323038 /nfs/dbraw/zinc/32/30/38/820323038.db2.gz NTOKDXCEDQFHOQ-OAHLLOKOSA-N 1 2 398.536 4.052 20 0 GIADLO c1[nH+]cn(Cc2ccccc2)c1Cc1nc([C@@H]2CSc3ccccc3O2)no1 ZINC000573255679 823471538 /nfs/dbraw/zinc/47/15/38/823471538.db2.gz DWHBOFZBWCSPPN-SFHVURJKSA-N 1 2 390.468 4.131 20 0 GIADLO Cc1ccccc1SCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000028681840 820349833 /nfs/dbraw/zinc/34/98/33/820349833.db2.gz JPVZBTSWIJHMHC-AWEZNQCLSA-N 1 2 375.563 4.414 20 0 GIADLO Cc1ccccc1SCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000028681840 820349839 /nfs/dbraw/zinc/34/98/39/820349839.db2.gz JPVZBTSWIJHMHC-AWEZNQCLSA-N 1 2 375.563 4.414 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccccc3Cl)n2)C1 ZINC000028683236 820350410 /nfs/dbraw/zinc/35/04/10/820350410.db2.gz RXRIQCKJOIBDAO-ZDUSSCGKSA-N 1 2 379.913 4.046 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccccc3Cl)n2)C1 ZINC000028683236 820350419 /nfs/dbraw/zinc/35/04/19/820350419.db2.gz RXRIQCKJOIBDAO-ZDUSSCGKSA-N 1 2 379.913 4.046 20 0 GIADLO Cc1cc2ccccc2n1CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000028684683 820351455 /nfs/dbraw/zinc/35/14/55/820351455.db2.gz UGEAPKHYARECPU-HNNXBMFYSA-N 1 2 382.533 4.277 20 0 GIADLO Cc1cc2ccccc2n1CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000028684683 820351462 /nfs/dbraw/zinc/35/14/62/820351462.db2.gz UGEAPKHYARECPU-HNNXBMFYSA-N 1 2 382.533 4.277 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(Cl)c(Cl)n3C)n2)C1 ZINC000028931736 820375425 /nfs/dbraw/zinc/37/54/25/820375425.db2.gz VGUWNWNPTJJEJZ-SNVBAGLBSA-N 1 2 387.336 4.273 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(Cl)c(Cl)n3C)n2)C1 ZINC000028931736 820375433 /nfs/dbraw/zinc/37/54/33/820375433.db2.gz VGUWNWNPTJJEJZ-SNVBAGLBSA-N 1 2 387.336 4.273 20 0 GIADLO Fc1cccc(-c2nc(CN3CC[NH+](Cc4cccc(Cl)c4)CC3)co2)c1 ZINC000028965301 820377641 /nfs/dbraw/zinc/37/76/41/820377641.db2.gz IXJQUFHAKYMEEZ-UHFFFAOYSA-N 1 2 385.870 4.452 20 0 GIADLO C[N@H+](Cc1ccc(Br)cc1N)Cc1ccccc1Br ZINC000125791537 823711474 /nfs/dbraw/zinc/71/14/74/823711474.db2.gz YAYWSTFNPAKJTH-UHFFFAOYSA-N 1 2 384.115 4.426 20 0 GIADLO C[N@@H+](Cc1ccc(Br)cc1N)Cc1ccccc1Br ZINC000125791537 823711477 /nfs/dbraw/zinc/71/14/77/823711477.db2.gz YAYWSTFNPAKJTH-UHFFFAOYSA-N 1 2 384.115 4.426 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccc(Br)s1 ZINC000029157932 820402133 /nfs/dbraw/zinc/40/21/33/820402133.db2.gz MBVOIKSEXLRZCZ-SECBINFHSA-N 1 2 389.265 4.248 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccc(Br)s1 ZINC000029157932 820402135 /nfs/dbraw/zinc/40/21/35/820402135.db2.gz MBVOIKSEXLRZCZ-SECBINFHSA-N 1 2 389.265 4.248 20 0 GIADLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(SC)c(OC)c1 ZINC000460679447 823476493 /nfs/dbraw/zinc/47/64/93/823476493.db2.gz UNGQWUSVZBSQQG-UHFFFAOYSA-N 1 2 385.533 4.227 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000029190459 820409230 /nfs/dbraw/zinc/40/92/30/820409230.db2.gz FLHGOVHPBIUDIB-IBGZPJMESA-N 1 2 390.531 4.141 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000029190459 820409236 /nfs/dbraw/zinc/40/92/36/820409236.db2.gz FLHGOVHPBIUDIB-IBGZPJMESA-N 1 2 390.531 4.141 20 0 GIADLO COc1ccc(/C=C/C(=O)N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)cc1 ZINC000029363370 820443927 /nfs/dbraw/zinc/44/39/27/820443927.db2.gz MJZLZNVKKMOLQJ-KQPPXVQYSA-N 1 2 384.907 4.267 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)CC2)cc1 ZINC000460694372 823483297 /nfs/dbraw/zinc/48/32/97/823483297.db2.gz XLJHFHJPCXIXFZ-KRWDZBQOSA-N 1 2 386.923 4.187 20 0 GIADLO CCN(CC)c1ccc(-c2nn(C[N@H+](C)[C@H](C)C(C)C)c(=S)n2C)cc1 ZINC000029541869 820472738 /nfs/dbraw/zinc/47/27/38/820472738.db2.gz RYQPHMFSNXNXDD-MRXNPFEDSA-N 1 2 375.586 4.398 20 0 GIADLO CCN(CC)c1ccc(-c2nn(C[N@@H+](C)[C@H](C)C(C)C)c(=S)n2C)cc1 ZINC000029541869 820472743 /nfs/dbraw/zinc/47/27/43/820472743.db2.gz RYQPHMFSNXNXDD-MRXNPFEDSA-N 1 2 375.586 4.398 20 0 GIADLO O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410384437 823482724 /nfs/dbraw/zinc/48/27/24/823482724.db2.gz GUGXMVHGSHMIMF-UHFFFAOYSA-N 1 2 393.340 4.264 20 0 GIADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)ccc1OC(C)C ZINC000123276220 823489370 /nfs/dbraw/zinc/48/93/70/823489370.db2.gz GUJBFLMQERHVKO-GJZGRUSLSA-N 1 2 382.464 4.339 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)c1nnnn1C1CCCCC1 ZINC000189736343 823484532 /nfs/dbraw/zinc/48/45/32/823484532.db2.gz MTDIBXQWZWYXJM-QWHCGFSZSA-N 1 2 378.318 4.353 20 0 GIADLO CCCOc1ccc(C(=O)CCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000029951223 820555895 /nfs/dbraw/zinc/55/58/95/820555895.db2.gz IVOIUCMMMPJVKC-UHFFFAOYSA-N 1 2 377.444 4.263 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000030223905 820589738 /nfs/dbraw/zinc/58/97/38/820589738.db2.gz FYECBPPUSWVTQD-HNNXBMFYSA-N 1 2 394.924 4.367 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000030223905 820589744 /nfs/dbraw/zinc/58/97/44/820589744.db2.gz FYECBPPUSWVTQD-HNNXBMFYSA-N 1 2 394.924 4.367 20 0 GIADLO Cc1cncc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)c1 ZINC000189764814 823490565 /nfs/dbraw/zinc/49/05/65/823490565.db2.gz NJGPHYKSPJZCRO-UHFFFAOYSA-N 1 2 379.533 4.249 20 0 GIADLO CCC[N@H+](CC(=O)NCc1ccco1)[C@@H](C)c1ccccc1Br ZINC000059389249 823495027 /nfs/dbraw/zinc/49/50/27/823495027.db2.gz VAIHRYZKWSOAJH-AWEZNQCLSA-N 1 2 379.298 4.132 20 0 GIADLO CCC[N@@H+](CC(=O)NCc1ccco1)[C@@H](C)c1ccccc1Br ZINC000059389249 823495029 /nfs/dbraw/zinc/49/50/29/823495029.db2.gz VAIHRYZKWSOAJH-AWEZNQCLSA-N 1 2 379.298 4.132 20 0 GIADLO COc1cccc([C@H]([NH2+]Cc2ccc(OC)c(O)c2)c2cc(F)ccc2OC)c1 ZINC000177562542 823491866 /nfs/dbraw/zinc/49/18/66/823491866.db2.gz MKPNXPGOQBBWNN-QHCPKHFHSA-N 1 2 397.446 4.436 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1COc1ccccc1 ZINC000030584697 820645845 /nfs/dbraw/zinc/64/58/45/820645845.db2.gz QMGVPTSYTCTIME-UHFFFAOYSA-N 1 2 397.478 4.440 20 0 GIADLO COc1cc(OC)cc([C@@H]([NH2+]Cc2cccc3ccccc32)c2nccn2C)c1 ZINC000030648841 820657769 /nfs/dbraw/zinc/65/77/69/820657769.db2.gz YSIFIUMFSWODNP-HSZRJFAPSA-N 1 2 387.483 4.470 20 0 GIADLO Fc1ccc(Br)cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177595316 823498112 /nfs/dbraw/zinc/49/81/12/823498112.db2.gz BDXRRASXCTXIBM-QGZVFWFLSA-N 1 2 386.305 4.138 20 0 GIADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000030965526 820712125 /nfs/dbraw/zinc/71/21/25/820712125.db2.gz NKIGSGWHRZAXDG-LJQANCHMSA-N 1 2 379.529 4.482 20 0 GIADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000030965526 820712131 /nfs/dbraw/zinc/71/21/31/820712131.db2.gz NKIGSGWHRZAXDG-LJQANCHMSA-N 1 2 379.529 4.482 20 0 GIADLO CC(C)(C)c1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)no1 ZINC000460736494 823500129 /nfs/dbraw/zinc/50/01/29/823500129.db2.gz PFGJKUQXXYMNPM-MRXNPFEDSA-N 1 2 393.890 4.332 20 0 GIADLO C[C@H]1CCN(C(=O)CCCc2ccc(Br)s2)C[C@@H]1n1cc[nH+]c1 ZINC000123395074 823505054 /nfs/dbraw/zinc/50/50/54/823505054.db2.gz ALXJIJAXOJQBAU-ZFWWWQNUSA-N 1 2 396.354 4.140 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCCOc3cccc(F)c3)n2)C1 ZINC000059877464 823501048 /nfs/dbraw/zinc/50/10/48/823501048.db2.gz RSYQMTQCIOAHNF-HNNXBMFYSA-N 1 2 391.512 4.312 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCOc3cccc(F)c3)n2)C1 ZINC000059877464 823501050 /nfs/dbraw/zinc/50/10/50/823501050.db2.gz RSYQMTQCIOAHNF-HNNXBMFYSA-N 1 2 391.512 4.312 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)nc(C(C)C)[nH+]1 ZINC000031493890 820817705 /nfs/dbraw/zinc/81/77/05/820817705.db2.gz JGGOHWFTIVQZGG-UHFFFAOYSA-N 1 2 398.507 4.225 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000123425985 823507935 /nfs/dbraw/zinc/50/79/35/823507935.db2.gz ACIBEOLWYOLSJN-FOIQADDNSA-N 1 2 380.879 4.322 20 0 GIADLO O=C(Nc1cccnc1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000060100773 823508215 /nfs/dbraw/zinc/50/82/15/823508215.db2.gz XELLTHVJNLZLNE-UHFFFAOYSA-N 1 2 387.846 4.195 20 0 GIADLO CCCCc1ccc(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000060127888 823509339 /nfs/dbraw/zinc/50/93/39/823509339.db2.gz XUQXIVBGLQIEQA-UHFFFAOYSA-N 1 2 377.488 4.486 20 0 GIADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+](C)CCc3ccccn3)cs2)c1 ZINC000123449474 823509932 /nfs/dbraw/zinc/50/99/32/823509932.db2.gz QYJYTFGEUAIGGR-UHFFFAOYSA-N 1 2 394.544 4.011 20 0 GIADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[N@@H+](C)CCc3ccccn3)cs2)c1 ZINC000123449474 823509937 /nfs/dbraw/zinc/50/99/37/823509937.db2.gz QYJYTFGEUAIGGR-UHFFFAOYSA-N 1 2 394.544 4.011 20 0 GIADLO COCc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031895027 820871683 /nfs/dbraw/zinc/87/16/83/820871683.db2.gz LTLUYAZLSDPDMZ-LJQANCHMSA-N 1 2 390.886 4.192 20 0 GIADLO COCc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031895033 820871747 /nfs/dbraw/zinc/87/17/47/820871747.db2.gz LTLUYAZLSDPDMZ-IBGZPJMESA-N 1 2 390.886 4.192 20 0 GIADLO COc1ccccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031896215 820872175 /nfs/dbraw/zinc/87/21/75/820872175.db2.gz ZTZVRIDKBUHWCE-KRWDZBQOSA-N 1 2 376.859 4.055 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000177673306 823511705 /nfs/dbraw/zinc/51/17/05/823511705.db2.gz LWYKSTIHKOTBTH-UHFFFAOYSA-N 1 2 379.273 4.276 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000177673306 823511707 /nfs/dbraw/zinc/51/17/07/823511707.db2.gz LWYKSTIHKOTBTH-UHFFFAOYSA-N 1 2 379.273 4.276 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000060245078 823513383 /nfs/dbraw/zinc/51/33/83/823513383.db2.gz ZXWDJSWPLQLSJD-SFHVURJKSA-N 1 2 390.886 4.407 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000060245078 823513386 /nfs/dbraw/zinc/51/33/86/823513386.db2.gz ZXWDJSWPLQLSJD-SFHVURJKSA-N 1 2 390.886 4.407 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CCCOc2ccc(Cl)cc2Cl)c1C ZINC000060248798 823513630 /nfs/dbraw/zinc/51/36/30/823513630.db2.gz USELUSRLPCKKTE-UHFFFAOYSA-N 1 2 397.302 4.489 20 0 GIADLO Cc1ccc2nc([C@H]3CCC[N@@H+]([C@@H](C)c4ccc(S(C)(=O)=O)cc4)C3)[nH]c2c1 ZINC000189979762 823520849 /nfs/dbraw/zinc/52/08/49/823520849.db2.gz PXWVRVWROQPEEP-WMZOPIPTSA-N 1 2 397.544 4.215 20 0 GIADLO Cc1ccc2nc([C@H]3CCC[N@H+]([C@@H](C)c4ccc(S(C)(=O)=O)cc4)C3)[nH]c2c1 ZINC000189979762 823520850 /nfs/dbraw/zinc/52/08/50/823520850.db2.gz PXWVRVWROQPEEP-WMZOPIPTSA-N 1 2 397.544 4.215 20 0 GIADLO Cc1ccc(-c2nc(C)c(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)s2)o1 ZINC000032941241 821021014 /nfs/dbraw/zinc/02/10/14/821021014.db2.gz MSTCZLXOWDYRML-QGZVFWFLSA-N 1 2 381.501 4.149 20 0 GIADLO Cc1ccc(-c2nc(C)c(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)s2)o1 ZINC000032941241 821021017 /nfs/dbraw/zinc/02/10/17/821021017.db2.gz MSTCZLXOWDYRML-QGZVFWFLSA-N 1 2 381.501 4.149 20 0 GIADLO C[C@@H]1CC[C@@H](CSc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)O1 ZINC000189988479 823522119 /nfs/dbraw/zinc/52/21/19/823522119.db2.gz AAEACZMUILJZEM-PBHICJAKSA-N 1 2 392.956 4.176 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000123630595 823527698 /nfs/dbraw/zinc/52/76/98/823527698.db2.gz JZAHALSZOPJAAF-UHFFFAOYSA-N 1 2 380.517 4.266 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C)s1 ZINC000060442240 823528170 /nfs/dbraw/zinc/52/81/70/823528170.db2.gz VWIKMESAVCSQMJ-UHFFFAOYSA-N 1 2 383.517 4.384 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1sc(C)nc1C ZINC000060442034 823528243 /nfs/dbraw/zinc/52/82/43/823528243.db2.gz DGLMMPNHDASMOA-UHFFFAOYSA-N 1 2 398.532 4.088 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)/C=C/c1cccs1 ZINC000060442441 823528364 /nfs/dbraw/zinc/52/83/64/823528364.db2.gz GNAOAPSAWMGSJO-ZHACJKMWSA-N 1 2 395.528 4.476 20 0 GIADLO COc1ccc(Cl)cc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000036652203 821073937 /nfs/dbraw/zinc/07/39/37/821073937.db2.gz QDKXUIGPCMDYMD-UHFFFAOYSA-N 1 2 379.913 4.289 20 0 GIADLO Cn1ccc2cccc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccc(F)c(F)c3)c21 ZINC000190012411 823525713 /nfs/dbraw/zinc/52/57/13/823525713.db2.gz AXIHEQHBKOYIQY-AZUAARDMSA-N 1 2 384.430 4.023 20 0 GIADLO Cn1ccc2cccc(NC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccc(F)c(F)c3)c21 ZINC000190012411 823525715 /nfs/dbraw/zinc/52/57/15/823525715.db2.gz AXIHEQHBKOYIQY-AZUAARDMSA-N 1 2 384.430 4.023 20 0 GIADLO COc1ccc(-c2noc(C[NH+]3CCC(Oc4ccccc4Cl)CC3)n2)cc1 ZINC000039306950 821105019 /nfs/dbraw/zinc/10/50/19/821105019.db2.gz XRCWHXMUKOKEGI-UHFFFAOYSA-N 1 2 399.878 4.442 20 0 GIADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000060465127 823531042 /nfs/dbraw/zinc/53/10/42/823531042.db2.gz LFOQSCFMBWPMKS-OAHLLOKOSA-N 1 2 392.330 4.311 20 0 GIADLO Cn1ccc2cccc(NC(=O)N[C@H]3c4ccccc4CC[C@@H]3n3cc[nH+]c3)c21 ZINC000190059025 823532075 /nfs/dbraw/zinc/53/20/75/823532075.db2.gz YSYNWZATILKHQI-SFTDATJTSA-N 1 2 385.471 4.425 20 0 GIADLO CCOc1cc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc(OCC)c1OCC ZINC000041305890 821181725 /nfs/dbraw/zinc/18/17/25/821181725.db2.gz YSNZINBTHGYWMA-UHFFFAOYSA-N 1 2 383.448 4.091 20 0 GIADLO Cc1ccc(F)c(Br)c1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000411020372 823534700 /nfs/dbraw/zinc/53/47/00/823534700.db2.gz UTFOHGJSJVRZAW-CHWSQXEVSA-N 1 2 392.272 4.003 20 0 GIADLO O=C(NCc1cccc(COCc2ccco2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000041420707 821190597 /nfs/dbraw/zinc/19/05/97/821190597.db2.gz YEFMQHYPRFBNSU-UHFFFAOYSA-N 1 2 387.439 4.112 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccccc1C(F)(F)F ZINC000177882551 823540791 /nfs/dbraw/zinc/54/07/91/823540791.db2.gz WLQVUSVGGDBOAG-GOSISDBHSA-N 1 2 396.384 4.247 20 0 GIADLO O=C(CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccccc1C(F)(F)F ZINC000177882551 823540794 /nfs/dbraw/zinc/54/07/94/823540794.db2.gz WLQVUSVGGDBOAG-GOSISDBHSA-N 1 2 396.384 4.247 20 0 GIADLO Clc1ccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cn1 ZINC000042101158 821265650 /nfs/dbraw/zinc/26/56/50/821265650.db2.gz DBHDNQXMIMVAFN-UHFFFAOYSA-N 1 2 385.924 4.204 20 0 GIADLO CCCCOc1cccc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000060545354 823540560 /nfs/dbraw/zinc/54/05/60/823540560.db2.gz GOMGVYICZZMGAN-UHFFFAOYSA-N 1 2 385.508 4.228 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1[nH]c2ccccc2c1Br ZINC000123786767 823540721 /nfs/dbraw/zinc/54/07/21/823540721.db2.gz LXYNAUNPELENEI-UHFFFAOYSA-N 1 2 381.233 4.368 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000042249650 821291673 /nfs/dbraw/zinc/29/16/73/821291673.db2.gz TZQLJNWWDUQCTI-KRWDZBQOSA-N 1 2 383.511 4.100 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H]3CCCc4ccccc43)cn2c1 ZINC000042404693 821307551 /nfs/dbraw/zinc/30/75/51/821307551.db2.gz LYYOIHVMMKSWCX-FQEVSTJZSA-N 1 2 379.529 4.412 20 0 GIADLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000042575262 821312907 /nfs/dbraw/zinc/31/29/07/821312907.db2.gz UPFCPTVOVIJAFS-QGZVFWFLSA-N 1 2 394.515 4.180 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000043159954 821371481 /nfs/dbraw/zinc/37/14/81/821371481.db2.gz WZJXWOHZSYGLSS-UHFFFAOYSA-N 1 2 388.393 4.314 20 0 GIADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(-c2ccccc2)n1 ZINC000180644895 821380437 /nfs/dbraw/zinc/38/04/37/821380437.db2.gz SCZXHCNBRUCHMJ-HXUWFJFHSA-N 1 2 399.441 4.262 20 0 GIADLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(-c2ccccc2)n1 ZINC000180644895 821380444 /nfs/dbraw/zinc/38/04/44/821380444.db2.gz SCZXHCNBRUCHMJ-HXUWFJFHSA-N 1 2 399.441 4.262 20 0 GIADLO Cc1nc2ccc(NC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)cc2s1 ZINC000043375572 821398845 /nfs/dbraw/zinc/39/88/45/821398845.db2.gz SZJUFICQNGHIHE-UHFFFAOYSA-N 1 2 377.473 4.171 20 0 GIADLO CC(C)Oc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000043516785 821420598 /nfs/dbraw/zinc/42/05/98/821420598.db2.gz XDOJTFBRGUYLCP-UHFFFAOYSA-N 1 2 388.537 4.238 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCc4sccc4C3)n2)C1 ZINC000043546910 821424082 /nfs/dbraw/zinc/42/40/82/821424082.db2.gz GLHKHYXAYATOBP-ZDUSSCGKSA-N 1 2 376.551 4.027 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCc4sccc4C3)n2)C1 ZINC000043546910 821424084 /nfs/dbraw/zinc/42/40/84/821424084.db2.gz GLHKHYXAYATOBP-ZDUSSCGKSA-N 1 2 376.551 4.027 20 0 GIADLO COCCCOc1cc(C)ccc1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180740997 821428284 /nfs/dbraw/zinc/42/82/84/821428284.db2.gz CWEPHKPOFINHIV-HSZRJFAPSA-N 1 2 397.494 4.162 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(-c2ccccc2F)o1 ZINC000043752694 821452961 /nfs/dbraw/zinc/45/29/61/821452961.db2.gz GMSUFAMEFLXGOJ-UHFFFAOYSA-N 1 2 389.430 4.303 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)n1 ZINC000180803224 821466840 /nfs/dbraw/zinc/46/68/40/821466840.db2.gz LRHFAZROBAOHLM-INIZCTEOSA-N 1 2 375.398 4.129 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)n1 ZINC000180803224 821466843 /nfs/dbraw/zinc/46/68/43/821466843.db2.gz LRHFAZROBAOHLM-INIZCTEOSA-N 1 2 375.398 4.129 20 0 GIADLO Cc1cc(-c2noc(C[NH2+][C@H](C)c3ccc(-n4cccn4)cc3)n2)ccc1F ZINC000180816329 821476484 /nfs/dbraw/zinc/47/64/84/821476484.db2.gz USNLBIKVQCSYGI-OAHLLOKOSA-N 1 2 377.423 4.221 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044313478 821568309 /nfs/dbraw/zinc/56/83/09/821568309.db2.gz WQNIUPAMAXQMNK-STQMWFEESA-N 1 2 375.460 4.436 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000044397337 821583868 /nfs/dbraw/zinc/58/38/68/821583868.db2.gz RKKXABGSASMUPU-QZTJIDSGSA-N 1 2 398.469 4.098 20 0 GIADLO N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181038990 821606274 /nfs/dbraw/zinc/60/62/74/821606274.db2.gz JVCGNAQUKSSEAP-HNNXBMFYSA-N 1 2 399.237 4.140 20 0 GIADLO CCc1noc(C)c1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000044553379 821608418 /nfs/dbraw/zinc/60/84/18/821608418.db2.gz WMFMACSCVCMOFT-IBGZPJMESA-N 1 2 395.528 4.136 20 0 GIADLO CCc1noc(C)c1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000044553379 821608419 /nfs/dbraw/zinc/60/84/19/821608419.db2.gz WMFMACSCVCMOFT-IBGZPJMESA-N 1 2 395.528 4.136 20 0 GIADLO Cc1c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cnn1C(C)(C)C ZINC000044568082 821610274 /nfs/dbraw/zinc/61/02/74/821610274.db2.gz GHSXPVCYVGVXFV-UHFFFAOYSA-N 1 2 377.492 4.399 20 0 GIADLO Cc1oc2nc(C[NH2+][C@@H](C)c3ccc(Br)cc3)nc(N)c2c1C ZINC000181109159 821638241 /nfs/dbraw/zinc/63/82/41/821638241.db2.gz FJQOTTYHTLBUDK-JTQLQIEISA-N 1 2 375.270 4.035 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181119378 821644911 /nfs/dbraw/zinc/64/49/11/821644911.db2.gz KMNMXESDBLFHEY-UHFFFAOYSA-N 1 2 396.401 4.067 20 0 GIADLO C[C@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1ccc(Br)cc1 ZINC000181132179 821652709 /nfs/dbraw/zinc/65/27/09/821652709.db2.gz QQHUFKKPEJBADW-AWEZNQCLSA-N 1 2 386.293 4.468 20 0 GIADLO O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000044819263 821668909 /nfs/dbraw/zinc/66/89/09/821668909.db2.gz VTMCEWBUSVGXLF-APTSRADASA-N 1 2 380.454 4.213 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000044898117 821678175 /nfs/dbraw/zinc/67/81/75/821678175.db2.gz RYTISDGBERYECK-UHFFFAOYSA-N 1 2 380.517 4.154 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000044898117 821678182 /nfs/dbraw/zinc/67/81/82/821678182.db2.gz RYTISDGBERYECK-UHFFFAOYSA-N 1 2 380.517 4.154 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000181278085 821730830 /nfs/dbraw/zinc/73/08/30/821730830.db2.gz KGRNWHDLKSDPTH-LBPRGKRZSA-N 1 2 387.281 4.094 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)n2)cc1 ZINC000181305251 821745075 /nfs/dbraw/zinc/74/50/75/821745075.db2.gz HEDKHDJMGCMHHY-HNNXBMFYSA-N 1 2 392.459 4.106 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@@H]2CCCOc3c(F)cccc32)nnn1-c1ccc(F)cc1 ZINC000181323539 821758952 /nfs/dbraw/zinc/75/89/52/821758952.db2.gz MUDKNEVYZRSQIU-BFUOFWGJSA-N 1 2 384.430 4.418 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000181362080 821787777 /nfs/dbraw/zinc/78/77/77/821787777.db2.gz WUODHXANKDEDBB-KRWDZBQOSA-N 1 2 388.899 4.140 20 0 GIADLO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2OC)cc1 ZINC000181363893 821788989 /nfs/dbraw/zinc/78/89/89/821788989.db2.gz OTTCFFQILKVNMC-KSFYIVLOSA-N 1 2 395.455 4.108 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1nc(-c2cccs2)no1 ZINC000181376145 821794534 /nfs/dbraw/zinc/79/45/34/821794534.db2.gz VPUVKIYLGLVVAN-KBPBESRZSA-N 1 2 382.489 4.337 20 0 GIADLO Cc1cc(-c2noc(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)n2)ccc1F ZINC000181395774 821805455 /nfs/dbraw/zinc/80/54/55/821805455.db2.gz UOFRIFCVZXNGDO-HNNXBMFYSA-N 1 2 394.450 4.162 20 0 GIADLO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000181412822 821812546 /nfs/dbraw/zinc/81/25/46/821812546.db2.gz YPPUNJCVFDSFCR-GOSISDBHSA-N 1 2 389.398 4.365 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1cccc(N2CCCC2=O)c1 ZINC000181423684 821819780 /nfs/dbraw/zinc/81/97/80/821819780.db2.gz VDXCFXSNBAYMFD-CQSZACIVSA-N 1 2 396.878 4.368 20 0 GIADLO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000181592217 821893740 /nfs/dbraw/zinc/89/37/40/821893740.db2.gz GGXXFHTUBCLJES-GOSISDBHSA-N 1 2 392.547 4.301 20 0 GIADLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)CCN1 ZINC000181672349 821937123 /nfs/dbraw/zinc/93/71/23/821937123.db2.gz BIZSWIJNZQPRDJ-SFHVURJKSA-N 1 2 399.466 4.152 20 0 GIADLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)CCN1 ZINC000181672349 821937126 /nfs/dbraw/zinc/93/71/26/821937126.db2.gz BIZSWIJNZQPRDJ-SFHVURJKSA-N 1 2 399.466 4.152 20 0 GIADLO COC[C@H]([NH2+]Cc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1ccccc1 ZINC000181681592 821941245 /nfs/dbraw/zinc/94/12/45/821941245.db2.gz LRSBVMADLXZOPK-FQEVSTJZSA-N 1 2 395.528 4.110 20 0 GIADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000181716759 821958478 /nfs/dbraw/zinc/95/84/78/821958478.db2.gz DKGHZOQJTMDUPB-KRWDZBQOSA-N 1 2 395.459 4.351 20 0 GIADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000181833845 822011260 /nfs/dbraw/zinc/01/12/60/822011260.db2.gz ZMZHCDMJCMDSOQ-OAQYLSRUSA-N 1 2 381.451 4.184 20 0 GIADLO COC(=O)c1ccc(Cl)c(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000181963743 822047794 /nfs/dbraw/zinc/04/77/94/822047794.db2.gz WSDVBWCUIGDGAV-ZJWNCGCPSA-N 1 2 379.909 4.057 20 0 GIADLO COC(=O)c1ccc(Cl)c(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000181963743 822047802 /nfs/dbraw/zinc/04/78/02/822047802.db2.gz WSDVBWCUIGDGAV-ZJWNCGCPSA-N 1 2 379.909 4.057 20 0 GIADLO C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1cccc(F)c1F ZINC000181983756 822053064 /nfs/dbraw/zinc/05/30/64/822053064.db2.gz WYBPFMHZRYUQGE-SUMWQHHRSA-N 1 2 399.397 4.179 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccnc(SC(C)(C)C)c1 ZINC000182068803 822080651 /nfs/dbraw/zinc/08/06/51/822080651.db2.gz PJNLTQACVSNTGS-UHFFFAOYSA-N 1 2 399.560 4.365 20 0 GIADLO O=C(COc1cccc2cccnc21)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000182261809 822175358 /nfs/dbraw/zinc/17/53/58/822175358.db2.gz CTGUMXBDHOMYPD-UHFFFAOYSA-N 1 2 378.819 4.091 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc2c(c1)OCO2 ZINC000182264134 822177191 /nfs/dbraw/zinc/17/71/91/822177191.db2.gz KQYRJMGKAUPSRO-NSHDSACASA-N 1 2 391.349 4.335 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182486717 822261910 /nfs/dbraw/zinc/26/19/10/822261910.db2.gz WTTGGVWKTZSXDW-WBVHZDCISA-N 1 2 378.501 4.168 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182486717 822261918 /nfs/dbraw/zinc/26/19/18/822261918.db2.gz WTTGGVWKTZSXDW-WBVHZDCISA-N 1 2 378.501 4.168 20 0 GIADLO FC(F)(F)Cn1ccnc1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000177978276 822266729 /nfs/dbraw/zinc/26/67/29/822266729.db2.gz VJYQNCONMUMIFW-CYBMUJFWSA-N 1 2 384.471 4.160 20 0 GIADLO FC(F)(F)Cn1ccnc1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000177978276 822266735 /nfs/dbraw/zinc/26/67/35/822266735.db2.gz VJYQNCONMUMIFW-CYBMUJFWSA-N 1 2 384.471 4.160 20 0 GIADLO CC(C)c1c(C(=O)NCc2ccn3cc[nH+]c3c2)cnn1-c1ccc(Cl)cc1 ZINC000178056223 822303246 /nfs/dbraw/zinc/30/32/46/822303246.db2.gz ONLMOWUYCQWIPA-UHFFFAOYSA-N 1 2 393.878 4.227 20 0 GIADLO O=C(Nc1nc(C2CC2)cs1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178057093 822303465 /nfs/dbraw/zinc/30/34/65/822303465.db2.gz CNBLCRBMBQMXFE-MSOLQXFVSA-N 1 2 379.489 4.267 20 0 GIADLO Fc1cccc(C[C@H]([NH2+]Cc2nnnn2-c2ccccc2)c2cccc(F)c2)c1 ZINC000178074170 822309809 /nfs/dbraw/zinc/30/98/09/822309809.db2.gz YLUWUOXXVBGRCL-NRFANRHFSA-N 1 2 391.425 4.014 20 0 GIADLO Cc1nc(CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)sc1C ZINC000178108046 822322558 /nfs/dbraw/zinc/32/25/58/822322558.db2.gz LBAXDAFOMSNIMA-LBPRGKRZSA-N 1 2 391.541 4.395 20 0 GIADLO O=C(NCCc1c[nH]c2ccccc12)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178255800 822359421 /nfs/dbraw/zinc/35/94/21/822359421.db2.gz SBFFJWXWMRAKAQ-XZOQPEGZSA-N 1 2 399.498 4.135 20 0 GIADLO COc1ccc(CCC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000045056274 822360248 /nfs/dbraw/zinc/36/02/48/822360248.db2.gz DRCBELHCHPXBLR-UHFFFAOYSA-N 1 2 389.499 4.366 20 0 GIADLO O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045065445 822360924 /nfs/dbraw/zinc/36/09/24/822360924.db2.gz OENDFNDMCWHAFO-UHFFFAOYSA-N 1 2 379.423 4.464 20 0 GIADLO CCCc1ccc([C@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c2cccs2)cc1 ZINC000045123924 822364285 /nfs/dbraw/zinc/36/42/85/822364285.db2.gz MRWLOEVJNQURJQ-JXFKEZNVSA-N 1 2 382.533 4.374 20 0 GIADLO O=C(NCc1ccc(Cl)s1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178304669 822365482 /nfs/dbraw/zinc/36/54/82/822365482.db2.gz TYEGGGLRRJGAQM-SJLPKXTDSA-N 1 2 386.908 4.326 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cn3nc(-c4ccccc4F)ccc3=O)C2)c1 ZINC000182793263 822368285 /nfs/dbraw/zinc/36/82/85/822368285.db2.gz MDFWISMVQVVTDN-SFHVURJKSA-N 1 2 377.463 4.113 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3nc(-c4ccccc4F)ccc3=O)C2)c1 ZINC000182793263 822368291 /nfs/dbraw/zinc/36/82/91/822368291.db2.gz MDFWISMVQVVTDN-SFHVURJKSA-N 1 2 377.463 4.113 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cn3c(=S)nc4nc(C)c(C)c(C)n43)C2)c1 ZINC000182795566 822368766 /nfs/dbraw/zinc/36/87/66/822368766.db2.gz CNRGTGXSDGBIMP-GOSISDBHSA-N 1 2 381.549 4.249 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3c(=S)nc4nc(C)c(C)c(C)n43)C2)c1 ZINC000182795566 822368769 /nfs/dbraw/zinc/36/87/69/822368769.db2.gz CNRGTGXSDGBIMP-GOSISDBHSA-N 1 2 381.549 4.249 20 0 GIADLO COc1ccc2oc([C@H](C)[NH2+][C@H](C)c3nnnn3-c3ccccc3)c(C)c2c1 ZINC000178341490 822369180 /nfs/dbraw/zinc/36/91/80/822369180.db2.gz RAFSPZOJTONZNI-LSDHHAIUSA-N 1 2 377.448 4.137 20 0 GIADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1cc(Cl)cc2cccnc21)c1ccccc1 ZINC000178371218 822372086 /nfs/dbraw/zinc/37/20/86/822372086.db2.gz VXUBEJNUBYTUIP-NHCUHLMSSA-N 1 2 382.891 4.213 20 0 GIADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1cc(Cl)cc2cccnc21)c1ccccc1 ZINC000178371218 822372092 /nfs/dbraw/zinc/37/20/92/822372092.db2.gz VXUBEJNUBYTUIP-NHCUHLMSSA-N 1 2 382.891 4.213 20 0 GIADLO Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178373347 822372508 /nfs/dbraw/zinc/37/25/08/822372508.db2.gz ADYABAMPBLQYHD-UHFFFAOYSA-N 1 2 392.484 4.161 20 0 GIADLO Cc1cccc(-c2noc(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)n2)c1 ZINC000182847004 822377859 /nfs/dbraw/zinc/37/78/59/822377859.db2.gz WUPLBEXQKBEFMP-HNNXBMFYSA-N 1 2 391.397 4.097 20 0 GIADLO Cc1cccc(-c2noc(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)n2)c1 ZINC000182847004 822377865 /nfs/dbraw/zinc/37/78/65/822377865.db2.gz WUPLBEXQKBEFMP-HNNXBMFYSA-N 1 2 391.397 4.097 20 0 GIADLO Cn1c(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nc2cc(Cl)ccc21 ZINC000182849974 822378370 /nfs/dbraw/zinc/37/83/70/822378370.db2.gz PULCEAZTVMIBGG-ZDUSSCGKSA-N 1 2 397.832 4.279 20 0 GIADLO Cn1c(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nc2cc(Cl)ccc21 ZINC000182849974 822378374 /nfs/dbraw/zinc/37/83/74/822378374.db2.gz PULCEAZTVMIBGG-ZDUSSCGKSA-N 1 2 397.832 4.279 20 0 GIADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)o1 ZINC000453616144 822393534 /nfs/dbraw/zinc/39/35/34/822393534.db2.gz RZFDGHALDCLFTL-MRXNPFEDSA-N 1 2 387.281 4.473 20 0 GIADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)o1 ZINC000453616144 822393538 /nfs/dbraw/zinc/39/35/38/822393538.db2.gz RZFDGHALDCLFTL-MRXNPFEDSA-N 1 2 387.281 4.473 20 0 GIADLO CN(Cc1ccc2ccccc2c1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045531922 822393895 /nfs/dbraw/zinc/39/38/95/822393895.db2.gz TXTFNBPMELNDTH-UHFFFAOYSA-N 1 2 398.510 4.469 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1c(F)cc(Cl)cc1F ZINC000182934298 822395477 /nfs/dbraw/zinc/39/54/77/822395477.db2.gz SPYKRXZIEKPHNP-UHFFFAOYSA-N 1 2 380.826 4.325 20 0 GIADLO CCC[C@@H](NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)c1ccccc1 ZINC000045568208 822395893 /nfs/dbraw/zinc/39/58/93/822395893.db2.gz DAOKZVLVSNXASR-HXUWFJFHSA-N 1 2 395.551 4.281 20 0 GIADLO COc1cccc([C@@H](O)C[N@H+](Cc2ccn(C(C)C)n2)Cc2ccccc2)c1 ZINC000178618845 822396791 /nfs/dbraw/zinc/39/67/91/822396791.db2.gz OVIILLGZQIDZGT-QHCPKHFHSA-N 1 2 379.504 4.208 20 0 GIADLO COc1cccc([C@@H](O)C[N@@H+](Cc2ccn(C(C)C)n2)Cc2ccccc2)c1 ZINC000178618845 822396794 /nfs/dbraw/zinc/39/67/94/822396794.db2.gz OVIILLGZQIDZGT-QHCPKHFHSA-N 1 2 379.504 4.208 20 0 GIADLO COc1ccc([C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C(C)C)cc1 ZINC000045606125 822399676 /nfs/dbraw/zinc/39/96/76/822399676.db2.gz GBXZETYTHUAELA-JOCHJYFZSA-N 1 2 392.503 4.137 20 0 GIADLO CCC[N@@H+](Cc1ccccc1)Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S ZINC000045715137 822407323 /nfs/dbraw/zinc/40/73/23/822407323.db2.gz JMBZBGWOUGWSOH-UHFFFAOYSA-N 1 2 395.532 4.231 20 0 GIADLO CCC[N@H+](Cc1ccccc1)Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S ZINC000045715137 822407326 /nfs/dbraw/zinc/40/73/26/822407326.db2.gz JMBZBGWOUGWSOH-UHFFFAOYSA-N 1 2 395.532 4.231 20 0 GIADLO CN(C)c1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C(F)(F)F)c1 ZINC000045734085 822409298 /nfs/dbraw/zinc/40/92/98/822409298.db2.gz YSLSRAVHMKNMGG-UHFFFAOYSA-N 1 2 388.393 4.269 20 0 GIADLO C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C2CC2)o1 ZINC000045736488 822409539 /nfs/dbraw/zinc/40/95/39/822409539.db2.gz VMBIKNPYQYMRFA-IIBYNOLFSA-N 1 2 375.472 4.453 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178789587 822409967 /nfs/dbraw/zinc/40/99/67/822409967.db2.gz XQUWYEBWKFEGLY-VDBVYFBLSA-N 1 2 399.343 4.190 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178789587 822409971 /nfs/dbraw/zinc/40/99/71/822409971.db2.gz XQUWYEBWKFEGLY-VDBVYFBLSA-N 1 2 399.343 4.190 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178800899 822411495 /nfs/dbraw/zinc/41/14/95/822411495.db2.gz SQARNGPSTDUYHZ-SOKVYYICSA-N 1 2 386.561 4.315 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178800899 822411497 /nfs/dbraw/zinc/41/14/97/822411497.db2.gz SQARNGPSTDUYHZ-SOKVYYICSA-N 1 2 386.561 4.315 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178803538 822411913 /nfs/dbraw/zinc/41/19/13/822411913.db2.gz FIHVUZFOFKNCAD-VDBVYFBLSA-N 1 2 399.343 4.190 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178803538 822411917 /nfs/dbraw/zinc/41/19/17/822411917.db2.gz FIHVUZFOFKNCAD-VDBVYFBLSA-N 1 2 399.343 4.190 20 0 GIADLO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045787932 822413777 /nfs/dbraw/zinc/41/37/77/822413777.db2.gz DFRXWFFNYPAMOM-OAHLLOKOSA-N 1 2 398.304 4.055 20 0 GIADLO CSc1ccc(C[NH+]2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000045794788 822414427 /nfs/dbraw/zinc/41/44/27/822414427.db2.gz ZHUHMZMMBXCCHW-UHFFFAOYSA-N 1 2 394.544 4.085 20 0 GIADLO COc1ccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1-c1ccccn1 ZINC000178858101 822417027 /nfs/dbraw/zinc/41/70/27/822417027.db2.gz HXCRSPBEXFAPJH-UHFFFAOYSA-N 1 2 391.471 4.050 20 0 GIADLO C[S@@](=O)C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)c1ccccc1 ZINC000183098946 822424252 /nfs/dbraw/zinc/42/42/52/822424252.db2.gz PFVHYCGTAKXJOY-QWXGXRTQSA-N 1 2 382.407 4.056 20 0 GIADLO CCOc1cc(C[N@H+](C)Cc2cn3cccc(C)c3n2)ccc1OC(F)F ZINC000045944080 822426204 /nfs/dbraw/zinc/42/62/04/822426204.db2.gz DMLRRRSLHSFUQI-UHFFFAOYSA-N 1 2 375.419 4.275 20 0 GIADLO CCOc1cc(C[N@@H+](C)Cc2cn3cccc(C)c3n2)ccc1OC(F)F ZINC000045944080 822426208 /nfs/dbraw/zinc/42/62/08/822426208.db2.gz DMLRRRSLHSFUQI-UHFFFAOYSA-N 1 2 375.419 4.275 20 0 GIADLO c1ccc(Cn2c(C[NH+]3CCCC3)nnc2SCCOc2ccccc2)cc1 ZINC000045965319 822427820 /nfs/dbraw/zinc/42/78/20/822427820.db2.gz LCEBMBZUVSPQDC-UHFFFAOYSA-N 1 2 394.544 4.093 20 0 GIADLO C[S@@](=O)C[C@@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccccc1 ZINC000183133960 822428771 /nfs/dbraw/zinc/42/87/71/822428771.db2.gz GLCUFAZCKHJWSN-FQRUVTKNSA-N 1 2 384.570 4.138 20 0 GIADLO Cc1cc(-c2noc(C[NH2+][C@@H](C)c3ccccc3-n3cccn3)n2)ccc1F ZINC000183134806 822428864 /nfs/dbraw/zinc/42/88/64/822428864.db2.gz VBBDBQBQSIWBRL-HNNXBMFYSA-N 1 2 377.423 4.221 20 0 GIADLO O=S(=O)(CCC[NH+]1CCC(Oc2ccccc2Cl)CC1)c1ccccc1 ZINC000179007381 822429216 /nfs/dbraw/zinc/42/92/16/822429216.db2.gz DPUNPXCKCOHSJL-UHFFFAOYSA-N 1 2 393.936 4.047 20 0 GIADLO Cc1ccccc1Nc1nc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cs1 ZINC000183168958 822434803 /nfs/dbraw/zinc/43/48/03/822434803.db2.gz FDBMKEIFUYCDMI-BCHFMIIMSA-N 1 2 385.558 4.405 20 0 GIADLO CCN(Cc1ccccc1Cl)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019590 822435572 /nfs/dbraw/zinc/43/55/72/822435572.db2.gz BKUJNOFLJBKPMQ-UHFFFAOYSA-N 1 2 382.895 4.317 20 0 GIADLO CC(C)Oc1ccc([C@H](C)NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000046064481 822438734 /nfs/dbraw/zinc/43/87/34/822438734.db2.gz KOSQONKUUVRJPU-SFHVURJKSA-N 1 2 392.503 4.279 20 0 GIADLO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046106052 822441455 /nfs/dbraw/zinc/44/14/55/822441455.db2.gz LTUYZGFDYHNYRI-UHFFFAOYSA-N 1 2 386.459 4.328 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cnn(Cc2ccccc2Cl)c1 ZINC000046105781 822441566 /nfs/dbraw/zinc/44/15/66/822441566.db2.gz QHEDHCNZHHVFJT-UHFFFAOYSA-N 1 2 377.835 4.023 20 0 GIADLO Cc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cnn1-c1ccc(Cl)cc1 ZINC000046118629 822442173 /nfs/dbraw/zinc/44/21/73/822442173.db2.gz ZEGYROOPRCCLOI-UHFFFAOYSA-N 1 2 377.835 4.272 20 0 GIADLO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ncc(Br)s1 ZINC000179213575 822452034 /nfs/dbraw/zinc/45/20/34/822452034.db2.gz YFELKLPQZRIIGI-MRVPVSSYSA-N 1 2 389.702 4.181 20 0 GIADLO O=C(CC1CCC(C(F)(F)F)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000183291323 822453962 /nfs/dbraw/zinc/45/39/62/822453962.db2.gz PHJLUPPQMZKWJW-UHFFFAOYSA-N 1 2 384.442 4.216 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c[nH+]1 ZINC000454302452 822454746 /nfs/dbraw/zinc/45/47/46/822454746.db2.gz OLIIGDIERAVYTE-SFHVURJKSA-N 1 2 390.487 4.233 20 0 GIADLO CC[N@H+](C)[C@H](C(=O)OCc1ccccc1NC(=O)c1ccco1)c1ccccc1 ZINC000183328965 822459620 /nfs/dbraw/zinc/45/96/20/822459620.db2.gz ZSRBAXNNVLVKDW-NRFANRHFSA-N 1 2 392.455 4.268 20 0 GIADLO CC[N@@H+](C)[C@H](C(=O)OCc1ccccc1NC(=O)c1ccco1)c1ccccc1 ZINC000183328965 822459622 /nfs/dbraw/zinc/45/96/22/822459622.db2.gz ZSRBAXNNVLVKDW-NRFANRHFSA-N 1 2 392.455 4.268 20 0 GIADLO CCOc1ccccc1NC(=O)[C@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccccc1 ZINC000183337800 822460605 /nfs/dbraw/zinc/46/06/05/822460605.db2.gz UJMNNXSVOMGKPM-KSFYIVLOSA-N 1 2 392.503 4.158 20 0 GIADLO Cc1ccc(OCCC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000046343511 822463598 /nfs/dbraw/zinc/46/35/98/822463598.db2.gz QPKCBGYCVLGIFM-WOJBJXKFSA-N 1 2 396.531 4.320 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC000046344686 822464143 /nfs/dbraw/zinc/46/41/43/822464143.db2.gz UDDZXUQUNMGHOX-GJZGRUSLSA-N 1 2 390.430 4.150 20 0 GIADLO CC(C)([NH2+]Cc1nccn1CC(F)(F)F)c1ccccc1Br ZINC000179329425 822466956 /nfs/dbraw/zinc/46/69/56/822466956.db2.gz LEQXHJHCJWMDIH-UHFFFAOYSA-N 1 2 376.220 4.233 20 0 GIADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000046467843 822475836 /nfs/dbraw/zinc/47/58/36/822475836.db2.gz NFPQQMJMDHKDRN-AWEZNQCLSA-N 1 2 386.830 4.374 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cs1)c1ccc(C)cc1C ZINC000179391801 822476058 /nfs/dbraw/zinc/47/60/58/822476058.db2.gz AQXXSCIJUJQWNM-HTZLVSCSSA-N 1 2 399.560 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)cs1)c1ccc(C)cc1C ZINC000179391801 822476059 /nfs/dbraw/zinc/47/60/59/822476059.db2.gz AQXXSCIJUJQWNM-HTZLVSCSSA-N 1 2 399.560 4.037 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)c2cnc(-c3ccncc3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000179423062 822480321 /nfs/dbraw/zinc/48/03/21/822480321.db2.gz NGPKFUITADAMGU-WMZOPIPTSA-N 1 2 398.919 4.034 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)c2cnc(-c3ccncc3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000179423062 822480324 /nfs/dbraw/zinc/48/03/24/822480324.db2.gz NGPKFUITADAMGU-WMZOPIPTSA-N 1 2 398.919 4.034 20 0 GIADLO O=[S@](Cc1ccccc1)Cc1cccc(NCc2cccc3[nH+]ccn32)c1 ZINC000179430285 822481521 /nfs/dbraw/zinc/48/15/21/822481521.db2.gz WXNJKOIRPRUZHG-HHHXNRCGSA-N 1 2 375.497 4.395 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)C[C@@H](C)O1 ZINC000454492889 822484348 /nfs/dbraw/zinc/48/43/48/822484348.db2.gz ACJZMBWJFMDYFZ-UXIKUJOOSA-N 1 2 397.563 4.196 20 0 GIADLO O=C(Nc1ccc(COc2ccccc2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000179489536 822490229 /nfs/dbraw/zinc/49/02/29/822490229.db2.gz YJOPZCYIEPDELU-UHFFFAOYSA-N 1 2 376.460 4.331 20 0 GIADLO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000183527793 822490217 /nfs/dbraw/zinc/49/02/17/822490217.db2.gz LDVDHPZOVSWMFS-VXKWHMMOSA-N 1 2 393.556 4.204 20 0 GIADLO Cc1nc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c(-c2ccccc2)o1 ZINC000183530224 822490414 /nfs/dbraw/zinc/49/04/14/822490414.db2.gz OJBNDIURLODNKR-INIZCTEOSA-N 1 2 393.462 4.308 20 0 GIADLO CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000454521406 822490576 /nfs/dbraw/zinc/49/05/76/822490576.db2.gz YMXMEGSJHCXHTB-RMEPHLEKSA-N 1 2 387.568 4.440 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2)o1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046619410 822493776 /nfs/dbraw/zinc/49/37/76/822493776.db2.gz VJNFRDKIFWMNNR-UHFFFAOYSA-N 1 2 375.472 4.059 20 0 GIADLO CCCCOc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1OCC ZINC000046618695 822493787 /nfs/dbraw/zinc/49/37/87/822493787.db2.gz QFPRNLGBYAWEEB-UHFFFAOYSA-N 1 2 397.519 4.058 20 0 GIADLO Cc1c([C@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3)n2)cnn1-c1ccc(F)cc1 ZINC000179527973 822497588 /nfs/dbraw/zinc/49/75/88/822497588.db2.gz BZNXMSUJWRBAIU-HNNXBMFYSA-N 1 2 393.441 4.495 20 0 GIADLO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000183616345 822501638 /nfs/dbraw/zinc/50/16/38/822501638.db2.gz YQXJAABJNZQMTL-CYBMUJFWSA-N 1 2 377.400 4.371 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000183617367 822501889 /nfs/dbraw/zinc/50/18/89/822501889.db2.gz PYHJCWCHSGIPQF-ZDUSSCGKSA-N 1 2 381.448 4.260 20 0 GIADLO COc1ccccc1-c1nnc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)o1 ZINC000179585333 822507209 /nfs/dbraw/zinc/50/72/09/822507209.db2.gz IQQQGVZDVSKZLX-GFCCVEGCSA-N 1 2 375.375 4.197 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@H](C)c3cc(OC)c(OC)cc3C)n2)cc1 ZINC000179621818 822514566 /nfs/dbraw/zinc/51/45/66/822514566.db2.gz MBGBPZDBQANOMN-OAHLLOKOSA-N 1 2 381.476 4.475 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000179627013 822515446 /nfs/dbraw/zinc/51/54/46/822515446.db2.gz DAYRPLCFOULAGH-UHFFFAOYSA-N 1 2 392.478 4.148 20 0 GIADLO C[C@@H]1CN(c2ccc([NH2+]C3CCC(NC(=O)OC(C)(C)C)CC3)cc2)CCO1 ZINC000179634338 822516786 /nfs/dbraw/zinc/51/67/86/822516786.db2.gz BIHKXPAQIAQKFS-LRYGQEGESA-N 1 2 389.540 4.160 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000179636277 822517227 /nfs/dbraw/zinc/51/72/27/822517227.db2.gz VOHFONQWRBQZJK-MRXNPFEDSA-N 1 2 389.902 4.105 20 0 GIADLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000179661969 822522499 /nfs/dbraw/zinc/52/24/99/822522499.db2.gz IFNZYYFCUKJSIY-GFCCVEGCSA-N 1 2 388.443 4.115 20 0 GIADLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000179661969 822522501 /nfs/dbraw/zinc/52/25/01/822522501.db2.gz IFNZYYFCUKJSIY-GFCCVEGCSA-N 1 2 388.443 4.115 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)N3CC[NH+]([C@H](C)c4ccsc4)CC3)c2)no1 ZINC000183764107 822524668 /nfs/dbraw/zinc/52/46/68/822524668.db2.gz SADASJRESMZOQB-CQSZACIVSA-N 1 2 397.504 4.017 20 0 GIADLO CSCC1CCC(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000454736677 822525376 /nfs/dbraw/zinc/52/53/76/822525376.db2.gz JJYQCRDUYVPZOE-LRYGQEGESA-N 1 2 391.581 4.123 20 0 GIADLO C[C@H](c1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1)C(F)(F)F ZINC000454738823 822525773 /nfs/dbraw/zinc/52/57/73/822525773.db2.gz DURZHZQYIZMZQL-CQSZACIVSA-N 1 2 377.410 4.146 20 0 GIADLO CCCn1ncc(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1C1CC1 ZINC000454738997 822526012 /nfs/dbraw/zinc/52/60/12/822526012.db2.gz LTYBTLJSPICRBK-INIZCTEOSA-N 1 2 397.523 4.208 20 0 GIADLO Cc1ccc(Br)cc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046920469 822531041 /nfs/dbraw/zinc/53/10/41/822531041.db2.gz WUDHWPHRGSYNNU-UHFFFAOYSA-N 1 2 399.292 4.324 20 0 GIADLO C[C@@H](CCCc1ccccc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000179704463 822531486 /nfs/dbraw/zinc/53/14/86/822531486.db2.gz RNYWNLPZRYDQDT-FQEVSTJZSA-N 1 2 375.516 4.249 20 0 GIADLO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](c1cccc(C)c1)c1ccccn1 ZINC000183827840 822533106 /nfs/dbraw/zinc/53/31/06/822533106.db2.gz BVTWSNDQKXHQDG-UUOWRZLLSA-N 1 2 390.483 4.382 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000046943517 822533226 /nfs/dbraw/zinc/53/32/26/822533226.db2.gz RFJXTTGTTYCEAE-LJQANCHMSA-N 1 2 384.911 4.251 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000046943992 822533268 /nfs/dbraw/zinc/53/32/68/822533268.db2.gz YSCDXSUQEITFSJ-INIZCTEOSA-N 1 2 395.532 4.083 20 0 GIADLO CC[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1OC(F)F ZINC000179725564 822536025 /nfs/dbraw/zinc/53/60/25/822536025.db2.gz YOSVKYNZAXJOHU-HKUYNNGSSA-N 1 2 392.421 4.488 20 0 GIADLO CSc1ccc([C@H](CNC(=O)C2CCC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000047042379 822539739 /nfs/dbraw/zinc/53/97/39/822539739.db2.gz DVTUZMPCLNYHRC-IBGZPJMESA-N 1 2 386.586 4.486 20 0 GIADLO CSc1ccc([C@H](CNC(=O)C2CCC2)[N@H+]2CCc3sccc3C2)cc1 ZINC000047042379 822539742 /nfs/dbraw/zinc/53/97/42/822539742.db2.gz DVTUZMPCLNYHRC-IBGZPJMESA-N 1 2 386.586 4.486 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)c1C ZINC000179762694 822546261 /nfs/dbraw/zinc/54/62/61/822546261.db2.gz QRJIFLXYUUEYJT-KRWDZBQOSA-N 1 2 397.302 4.096 20 0 GIADLO C[C@H](C[N@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)c1nccs1 ZINC000183934443 822549815 /nfs/dbraw/zinc/54/98/15/822549815.db2.gz UOYJMTNIXQGLRW-CYBMUJFWSA-N 1 2 396.541 4.344 20 0 GIADLO C[C@H](C[N@@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)c1nccs1 ZINC000183934443 822549817 /nfs/dbraw/zinc/54/98/17/822549817.db2.gz UOYJMTNIXQGLRW-CYBMUJFWSA-N 1 2 396.541 4.344 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cnn2ccccc12 ZINC000179795936 822554637 /nfs/dbraw/zinc/55/46/37/822554637.db2.gz FYIMVINKQZHGOH-UHFFFAOYSA-N 1 2 377.275 4.102 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cnn2ccccc12 ZINC000179795936 822554639 /nfs/dbraw/zinc/55/46/39/822554639.db2.gz FYIMVINKQZHGOH-UHFFFAOYSA-N 1 2 377.275 4.102 20 0 GIADLO CC(C)[C@H]([NH2+]Cc1ccc(I)cc1)c1nc(C2CC2)no1 ZINC000179804709 822556403 /nfs/dbraw/zinc/55/64/03/822556403.db2.gz LVUVIJSOMBGTHT-AWEZNQCLSA-N 1 2 397.260 4.039 20 0 GIADLO Cc1nc(COc2ccc(N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)cc2)no1 ZINC000179835178 822562976 /nfs/dbraw/zinc/56/29/76/822562976.db2.gz FRQHNUAOBVVDAG-OAHLLOKOSA-N 1 2 375.432 4.316 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000179847753 822565593 /nfs/dbraw/zinc/56/55/93/822565593.db2.gz BNRWZYZJLOLPDG-QZTJIDSGSA-N 1 2 398.551 4.414 20 0 GIADLO Cc1nc(-c2ccc(NC(=O)N3CCCN(c4cccc[nH+]4)CC3)cc2)cs1 ZINC000184049154 822570620 /nfs/dbraw/zinc/57/06/20/822570620.db2.gz LRBYKMNJBFALNQ-UHFFFAOYSA-N 1 2 393.516 4.258 20 0 GIADLO Cc1cc(C)c(NC(=O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c(Cl)c1 ZINC000179929652 822578850 /nfs/dbraw/zinc/57/88/50/822578850.db2.gz XYJUAAUZZUKXTB-UHFFFAOYSA-N 1 2 382.773 4.359 20 0 GIADLO FC(F)(F)c1nn(Cc2nnc(-c3ccc(Cl)cc3)o2)c2cc[nH+]cc21 ZINC000179931776 822579295 /nfs/dbraw/zinc/57/92/95/822579295.db2.gz HSOYIIHTWVBZKV-UHFFFAOYSA-N 1 2 379.729 4.202 20 0 GIADLO COCCC[C@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(Cl)cc1 ZINC000455053718 822581339 /nfs/dbraw/zinc/58/13/39/822581339.db2.gz VNFYFDNEWJRBIM-GOSISDBHSA-N 1 2 389.927 4.361 20 0 GIADLO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514478 822585699 /nfs/dbraw/zinc/58/56/99/822585699.db2.gz OWWAEEVOOVDBTC-UHFFFAOYSA-N 1 2 393.834 4.147 20 0 GIADLO Cc1ccccc1CN(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047569430 822591789 /nfs/dbraw/zinc/59/17/89/822591789.db2.gz SETSUEPPBCLVHT-RTBURBONSA-N 1 2 381.520 4.268 20 0 GIADLO O=C(Nc1ccccc1OC1CCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047600671 822595329 /nfs/dbraw/zinc/59/53/29/822595329.db2.gz JJOPWTQCLYEQEX-UHFFFAOYSA-N 1 2 380.492 4.194 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)NCCC(c2ccccc2)c2ccccc2)n1 ZINC000184227899 822599629 /nfs/dbraw/zinc/59/96/29/822599629.db2.gz KOCBTNVUDUCZKS-GOSISDBHSA-N 1 2 393.556 4.441 20 0 GIADLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(-c4cccs4)o3)ccc2NC1=O ZINC000180027540 822600112 /nfs/dbraw/zinc/60/01/12/822600112.db2.gz SDKPSULZIMJFLM-DOMZBBRYSA-N 1 2 383.473 4.363 20 0 GIADLO O=C(NCCc1ccc(Cl)s1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000047746776 822605734 /nfs/dbraw/zinc/60/57/34/822605734.db2.gz UVRKCJVNPIHBRW-UHFFFAOYSA-N 1 2 384.958 4.208 20 0 GIADLO C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)[C@@H](CO)c1cccc(Br)c1 ZINC000180086524 822612386 /nfs/dbraw/zinc/61/23/86/822612386.db2.gz FFWKOJBRZBXHFR-SFHVURJKSA-N 1 2 386.293 4.005 20 0 GIADLO C[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)[C@@H](CO)c1cccc(Br)c1 ZINC000180086524 822612389 /nfs/dbraw/zinc/61/23/89/822612389.db2.gz FFWKOJBRZBXHFR-SFHVURJKSA-N 1 2 386.293 4.005 20 0 GIADLO C[N@H+](Cc1c[nH]c(-c2ccccc2)n1)[C@@H](CO)c1cccc(Br)c1 ZINC000180086524 822612392 /nfs/dbraw/zinc/61/23/92/822612392.db2.gz FFWKOJBRZBXHFR-SFHVURJKSA-N 1 2 386.293 4.005 20 0 GIADLO C[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)[C@@H](CO)c1cccc(Br)c1 ZINC000180086524 822612397 /nfs/dbraw/zinc/61/23/97/822612397.db2.gz FFWKOJBRZBXHFR-SFHVURJKSA-N 1 2 386.293 4.005 20 0 GIADLO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1C ZINC000047911256 822618915 /nfs/dbraw/zinc/61/89/15/822618915.db2.gz RJDBYEGCYGXYPO-AZUAARDMSA-N 1 2 393.314 4.139 20 0 GIADLO Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1C ZINC000047911256 822618917 /nfs/dbraw/zinc/61/89/17/822618917.db2.gz RJDBYEGCYGXYPO-AZUAARDMSA-N 1 2 393.314 4.139 20 0 GIADLO Cc1ccccc1C(NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1C ZINC000184371214 822623779 /nfs/dbraw/zinc/62/37/79/822623779.db2.gz WMURDDAJRFJGJV-HXUWFJFHSA-N 1 2 388.515 4.464 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000180139974 822624535 /nfs/dbraw/zinc/62/45/35/822624535.db2.gz FWJWLTQYLZHGEF-FZMZJTMJSA-N 1 2 384.814 4.253 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000180139994 822624778 /nfs/dbraw/zinc/62/47/78/822624778.db2.gz FWJWLTQYLZHGEF-BXUZGUMPSA-N 1 2 384.814 4.253 20 0 GIADLO O=C(Nc1ccc(Cl)c(OC(F)F)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000180148541 822626908 /nfs/dbraw/zinc/62/69/08/822626908.db2.gz WOHWCVKFQXRUDE-UHFFFAOYSA-N 1 2 396.825 4.127 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(Cl)cc1OC(F)F ZINC000184393717 822627589 /nfs/dbraw/zinc/62/75/89/822627589.db2.gz OKHCTQYTXXIKDY-UHFFFAOYSA-N 1 2 396.825 4.258 20 0 GIADLO CC(C)c1ccc(SCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000048124788 822636165 /nfs/dbraw/zinc/63/61/65/822636165.db2.gz GTYFLLGCHQHYCY-UHFFFAOYSA-N 1 2 379.529 4.463 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1nc(C(C)(C)C)cs1 ZINC000184456521 822638566 /nfs/dbraw/zinc/63/85/66/822638566.db2.gz FVEHRBJDMOQSAP-ZIAGYGMSSA-N 1 2 377.529 4.450 20 0 GIADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)C3=Cc4cc(OC)ccc4CC3)c2C1 ZINC000184491336 822644937 /nfs/dbraw/zinc/64/49/37/822644937.db2.gz PSGGQRWNJCOAPR-UHFFFAOYSA-N 1 2 398.528 4.150 20 0 GIADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)C3=Cc4cc(OC)ccc4CC3)c2C1 ZINC000184491336 822644938 /nfs/dbraw/zinc/64/49/38/822644938.db2.gz PSGGQRWNJCOAPR-UHFFFAOYSA-N 1 2 398.528 4.150 20 0 GIADLO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1nc(C(C)(C)C)cs1 ZINC000184500317 822646075 /nfs/dbraw/zinc/64/60/75/822646075.db2.gz DZWFZPAYEANHFY-SMDDNHRTSA-N 1 2 379.476 4.175 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184530966 822652098 /nfs/dbraw/zinc/65/20/98/822652098.db2.gz DDXINQWMKOLKGD-UONOGXRCSA-N 1 2 395.450 4.289 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184530929 822652139 /nfs/dbraw/zinc/65/21/39/822652139.db2.gz DDXINQWMKOLKGD-KBPBESRZSA-N 1 2 395.450 4.289 20 0 GIADLO C[C@@H](NC(=O)C[N@H+](Cc1cccnc1)C1CC1)c1ccc(Cl)cc1Cl ZINC000180275422 822652785 /nfs/dbraw/zinc/65/27/85/822652785.db2.gz WNPRYMHFEKTLMO-CYBMUJFWSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@@H](NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)c1ccc(Cl)cc1Cl ZINC000180275422 822652787 /nfs/dbraw/zinc/65/27/87/822652787.db2.gz WNPRYMHFEKTLMO-CYBMUJFWSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CC2(CSc3ccccc3)CC2)CC1 ZINC000184538992 822653754 /nfs/dbraw/zinc/65/37/54/822653754.db2.gz NLNSSXQOWOKFCO-IBGZPJMESA-N 1 2 395.572 4.249 20 0 GIADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180279847 822653916 /nfs/dbraw/zinc/65/39/16/822653916.db2.gz RYYNLKKIQLQCMP-UHFFFAOYSA-N 1 2 378.303 4.011 20 0 GIADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180279847 822653918 /nfs/dbraw/zinc/65/39/18/822653918.db2.gz RYYNLKKIQLQCMP-UHFFFAOYSA-N 1 2 378.303 4.011 20 0 GIADLO O=C(Nc1ccccn1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000048347425 822654819 /nfs/dbraw/zinc/65/48/19/822654819.db2.gz NPMTXENHJSVJQA-UHFFFAOYSA-N 1 2 387.846 4.195 20 0 GIADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 ZINC000184556899 822656940 /nfs/dbraw/zinc/65/69/40/822656940.db2.gz NJUAVKUFHVEAKX-HZMBPMFUSA-N 1 2 390.789 4.256 20 0 GIADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 ZINC000184556931 822656955 /nfs/dbraw/zinc/65/69/55/822656955.db2.gz NJUAVKUFHVEAKX-IINYFYTJSA-N 1 2 390.789 4.256 20 0 GIADLO CCCCCOc1cc(CNc2ccc[nH+]c2N2CCC(O)CC2)ccc1OC ZINC000180298350 822658954 /nfs/dbraw/zinc/65/89/54/822658954.db2.gz BLDAFNHCBNCFAN-UHFFFAOYSA-N 1 2 399.535 4.232 20 0 GIADLO Cc1cc(C)c(NC(=O)NC[C@H](C)Oc2ccccc2Br)c(C)[nH+]1 ZINC000455480112 822662542 /nfs/dbraw/zinc/66/25/42/822662542.db2.gz HHILVXPVNVMZKS-ZDUSSCGKSA-N 1 2 392.297 4.358 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455480533 822662840 /nfs/dbraw/zinc/66/28/40/822662840.db2.gz OEZSXQMAHBRECD-GOSISDBHSA-N 1 2 383.883 4.305 20 0 GIADLO COc1ccc(Br)c(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455492217 822665161 /nfs/dbraw/zinc/66/51/61/822665161.db2.gz ZHZOYTROVNEBRO-UHFFFAOYSA-N 1 2 378.270 4.100 20 0 GIADLO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccco1 ZINC000184623719 822667139 /nfs/dbraw/zinc/66/71/39/822667139.db2.gz SKZJHSVICRGVGQ-ZDUSSCGKSA-N 1 2 377.655 4.156 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)c1ccco1 ZINC000184629194 822668432 /nfs/dbraw/zinc/66/84/32/822668432.db2.gz FSEVYTQIXNJLDO-DENIHFKCSA-N 1 2 398.890 4.116 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(-c2ncco2)c1C ZINC000455529319 822671079 /nfs/dbraw/zinc/67/10/79/822671079.db2.gz LUQDRJJMTKUSQG-UHFFFAOYSA-N 1 2 381.480 4.353 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000180387882 822674066 /nfs/dbraw/zinc/67/40/66/822674066.db2.gz LXAYPLNJPSROQY-LBPRGKRZSA-N 1 2 385.817 4.187 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCc3c2ccc(F)c3Br)c[nH+]1 ZINC000455555267 822674208 /nfs/dbraw/zinc/67/42/08/822674208.db2.gz FDMUVBZAQRDUMB-INIZCTEOSA-N 1 2 392.272 4.087 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180405146 822676382 /nfs/dbraw/zinc/67/63/82/822676382.db2.gz ORJPKNSRIFQIJU-AGRHKRQWSA-N 1 2 390.890 4.070 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180405146 822676387 /nfs/dbraw/zinc/67/63/87/822676387.db2.gz ORJPKNSRIFQIJU-AGRHKRQWSA-N 1 2 390.890 4.070 20 0 GIADLO COCCC(C)(C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000184696138 822678122 /nfs/dbraw/zinc/67/81/22/822678122.db2.gz BOSUALBLCOJZGQ-UHFFFAOYSA-N 1 2 391.515 4.277 20 0 GIADLO Cc1cccc(Oc2ncccc2NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1C ZINC000180436956 822681719 /nfs/dbraw/zinc/68/17/19/822681719.db2.gz RRVFCNUHNRPZQG-SFHVURJKSA-N 1 2 391.475 4.384 20 0 GIADLO Cc1nc(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)sc1C ZINC000180469306 822687549 /nfs/dbraw/zinc/68/75/49/822687549.db2.gz UBJXMNBFQDLSSS-JTQLQIEISA-N 1 2 383.311 4.144 20 0 GIADLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000455636780 822688127 /nfs/dbraw/zinc/68/81/27/822688127.db2.gz IETALZYLDHGCMA-DYESRHJHSA-N 1 2 394.906 4.132 20 0 GIADLO COc1ccc(C[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)cc1OC ZINC000180522757 822695824 /nfs/dbraw/zinc/69/58/24/822695824.db2.gz NIUKULYQUGSZQC-UHFFFAOYSA-N 1 2 377.488 4.313 20 0 GIADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000180525290 822696223 /nfs/dbraw/zinc/69/62/23/822696223.db2.gz COYMSTANVDBNCE-UHFFFAOYSA-N 1 2 389.927 4.031 20 0 GIADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000180525290 822696225 /nfs/dbraw/zinc/69/62/25/822696225.db2.gz COYMSTANVDBNCE-UHFFFAOYSA-N 1 2 389.927 4.031 20 0 GIADLO C[C@H]([NH2+]Cc1ccco1)c1cc(Br)cc(Br)c1O ZINC000184843290 822698752 /nfs/dbraw/zinc/69/87/52/822698752.db2.gz KMNMJCPUSMIPFD-QMMMGPOBSA-N 1 2 375.060 4.361 20 0 GIADLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184855782 822701225 /nfs/dbraw/zinc/70/12/25/822701225.db2.gz QTZCDQVZFOSFOG-HOTGVXAUSA-N 1 2 379.460 4.418 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1ncc(-c2ccccc2)o1 ZINC000184859731 822701891 /nfs/dbraw/zinc/70/18/91/822701891.db2.gz GVYVTEXMWHRDKF-ZHRRBRCNSA-N 1 2 375.472 4.260 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2ccc(SC(F)F)cc2)o1 ZINC000184861581 822702201 /nfs/dbraw/zinc/70/22/01/822702201.db2.gz NKJKJKIGYKFNFD-HNNXBMFYSA-N 1 2 384.448 4.073 20 0 GIADLO O=C(c1ccc(CSc2ccccc2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000049934913 822711484 /nfs/dbraw/zinc/71/14/84/822711484.db2.gz AGNIEFDBYMXJMS-UHFFFAOYSA-N 1 2 389.524 4.336 20 0 GIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2ccccc2OCCF)c(C)c1 ZINC000455726428 822714883 /nfs/dbraw/zinc/71/48/83/822714883.db2.gz UOWNJPBZXIJPSR-HXUWFJFHSA-N 1 2 396.466 4.411 20 0 GIADLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(Cl)c1F ZINC000184935547 822715373 /nfs/dbraw/zinc/71/53/73/822715373.db2.gz GHNWWSLLZICOAG-UHFFFAOYSA-N 1 2 375.875 4.068 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3scnc3C3CCCC3)CC2)cc1 ZINC000184963963 822719152 /nfs/dbraw/zinc/71/91/52/822719152.db2.gz NDAPWRIZHWMIOY-UHFFFAOYSA-N 1 2 398.576 4.266 20 0 GIADLO O=C(CCCc1cccc(C(F)(F)F)c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000184963010 822719200 /nfs/dbraw/zinc/71/92/00/822719200.db2.gz YIBMYNSACXYTQI-UHFFFAOYSA-N 1 2 391.437 4.340 20 0 GIADLO COc1ccccc1C[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1cccs1 ZINC000184978558 822720911 /nfs/dbraw/zinc/72/09/11/822720911.db2.gz INOSAHRRTNEMOX-UHFFFAOYSA-N 1 2 394.500 4.348 20 0 GIADLO COc1ccccc1C[N@@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1cccs1 ZINC000184978558 822720913 /nfs/dbraw/zinc/72/09/13/822720913.db2.gz INOSAHRRTNEMOX-UHFFFAOYSA-N 1 2 394.500 4.348 20 0 GIADLO CSc1cccc(C)c1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000184987839 822722325 /nfs/dbraw/zinc/72/23/25/822722325.db2.gz ILSXAMQTJHZIBX-UHFFFAOYSA-N 1 2 380.517 4.326 20 0 GIADLO CCOc1ccc(Cl)c(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000455765828 822722426 /nfs/dbraw/zinc/72/24/26/822722426.db2.gz GHLDQPBSSCIYCL-HNNXBMFYSA-N 1 2 388.899 4.044 20 0 GIADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000184990850 822722707 /nfs/dbraw/zinc/72/27/07/822722707.db2.gz BCDGKCDNMUHJFP-OCCSQVGLSA-N 1 2 385.459 4.116 20 0 GIADLO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000184990850 822722708 /nfs/dbraw/zinc/72/27/08/822722708.db2.gz BCDGKCDNMUHJFP-OCCSQVGLSA-N 1 2 385.459 4.116 20 0 GIADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC000455789347 822726914 /nfs/dbraw/zinc/72/69/14/822726914.db2.gz LKHYRFLYBKDTCV-KRWDZBQOSA-N 1 2 395.503 4.410 20 0 GIADLO CC(C)C(=O)c1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000455794829 822727900 /nfs/dbraw/zinc/72/79/00/822727900.db2.gz LTMKJMXLXIOOSI-MRXNPFEDSA-N 1 2 385.533 4.498 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)c1C ZINC000050448684 822729736 /nfs/dbraw/zinc/72/97/36/822729736.db2.gz ZCFQIXZNVVOXDQ-UHFFFAOYSA-N 1 2 399.491 4.132 20 0 GIADLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1nccs1 ZINC000185058291 822730571 /nfs/dbraw/zinc/73/05/71/822730571.db2.gz MNQVAPPXZYTZHB-RISCZKNCSA-N 1 2 390.509 4.474 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)c1nccs1 ZINC000185062689 822731346 /nfs/dbraw/zinc/73/13/46/822731346.db2.gz SKEBHLFFYSVGKF-APWZRJJASA-N 1 2 385.558 4.460 20 0 GIADLO CC[C@H]([NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1nccs1 ZINC000185068216 822732073 /nfs/dbraw/zinc/73/20/73/822732073.db2.gz BYJJBYINDFXNLJ-INIZCTEOSA-N 1 2 389.908 4.414 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCCOCc3ccccc3)n2)C1 ZINC000050604023 822734473 /nfs/dbraw/zinc/73/44/73/822734473.db2.gz OLMQNGVRNOWFHJ-KRWDZBQOSA-N 1 2 387.549 4.311 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCOCc3ccccc3)n2)C1 ZINC000050604023 822734474 /nfs/dbraw/zinc/73/44/74/822734474.db2.gz OLMQNGVRNOWFHJ-KRWDZBQOSA-N 1 2 387.549 4.311 20 0 GIADLO O=C(C1CC[NH+](Cn2c3ccccc3nc2SC(F)F)CC1)C(F)(F)F ZINC000185101091 822737131 /nfs/dbraw/zinc/73/71/31/822737131.db2.gz LAUUXVBWWPMWQG-UHFFFAOYSA-N 1 2 393.381 4.152 20 0 GIADLO C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc(Br)cc(F)c1O ZINC000185125392 822740346 /nfs/dbraw/zinc/74/03/46/822740346.db2.gz RETOJWQIMZBSJN-LBPRGKRZSA-N 1 2 390.256 4.330 20 0 GIADLO Cc1nc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)sc1Cc1cccc(F)c1 ZINC000455887728 822742825 /nfs/dbraw/zinc/74/28/25/822742825.db2.gz IRLNRIYLHPUCLU-UHFFFAOYSA-N 1 2 399.495 4.247 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@H+](C)Cc3cccc(OC)c3)cs2)cc1 ZINC000050958561 822743258 /nfs/dbraw/zinc/74/32/58/822743258.db2.gz YTNQSEYKWFQPDP-UHFFFAOYSA-N 1 2 382.485 4.237 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@@H+](C)Cc3cccc(OC)c3)cs2)cc1 ZINC000050958561 822743261 /nfs/dbraw/zinc/74/32/61/822743261.db2.gz YTNQSEYKWFQPDP-UHFFFAOYSA-N 1 2 382.485 4.237 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1scnc1C1CCCC1 ZINC000185152384 822743489 /nfs/dbraw/zinc/74/34/89/822743489.db2.gz IDLHNHLQWZKYJZ-UHFFFAOYSA-N 1 2 376.551 4.495 20 0 GIADLO Cc1ccc(Cl)c(O[C@H](C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000051035619 822744591 /nfs/dbraw/zinc/74/45/91/822744591.db2.gz ZJIMSPMAJFLJQH-QGZVFWFLSA-N 1 2 397.906 4.019 20 0 GIADLO C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1)c1nc(C(C)(C)C)no1 ZINC000185178535 822746029 /nfs/dbraw/zinc/74/60/29/822746029.db2.gz JKEDJKGPKYYZSC-LPHOPBHVSA-N 1 2 395.503 4.125 20 0 GIADLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(-c2ccccc2)o1 ZINC000185213103 822750019 /nfs/dbraw/zinc/75/00/19/822750019.db2.gz MTSAYYNPOWJUBS-UYAOXDASSA-N 1 2 397.425 4.103 20 0 GIADLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(-c2ccccc2)o1 ZINC000185213103 822750021 /nfs/dbraw/zinc/75/00/21/822750021.db2.gz MTSAYYNPOWJUBS-UYAOXDASSA-N 1 2 397.425 4.103 20 0 GIADLO CC[C@@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1OC(F)F ZINC000051334849 822756633 /nfs/dbraw/zinc/75/66/33/822756633.db2.gz YSNRCULAKIPNKT-OAHLLOKOSA-N 1 2 393.434 4.259 20 0 GIADLO COc1ccc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)c(Br)c1OC ZINC000185291624 822760320 /nfs/dbraw/zinc/76/03/20/822760320.db2.gz DZEDGMITQBVVHC-HNNXBMFYSA-N 1 2 397.338 4.472 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000455992978 822763049 /nfs/dbraw/zinc/76/30/49/822763049.db2.gz QBKOWLXYIWLPJO-ZDUSSCGKSA-N 1 2 393.409 4.145 20 0 GIADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000185314897 822764396 /nfs/dbraw/zinc/76/43/96/822764396.db2.gz CKTWTOIVIQCHDG-AWEZNQCLSA-N 1 2 380.452 4.115 20 0 GIADLO O=C(C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)Nc1ccccc1C(F)(F)F ZINC000185323036 822765785 /nfs/dbraw/zinc/76/57/85/822765785.db2.gz KWESHJHXEHTSQG-GFCCVEGCSA-N 1 2 384.348 4.412 20 0 GIADLO O=C(C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)Nc1ccccc1C(F)(F)F ZINC000185323036 822765789 /nfs/dbraw/zinc/76/57/89/822765789.db2.gz KWESHJHXEHTSQG-GFCCVEGCSA-N 1 2 384.348 4.412 20 0 GIADLO C[N@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)Cc1ccco1 ZINC000051563449 822766072 /nfs/dbraw/zinc/76/60/72/822766072.db2.gz NFQFLWLQNGSNBC-OAQYLSRUSA-N 1 2 387.483 4.141 20 0 GIADLO C[N@@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)Cc1ccco1 ZINC000051563449 822766076 /nfs/dbraw/zinc/76/60/76/822766076.db2.gz NFQFLWLQNGSNBC-OAQYLSRUSA-N 1 2 387.483 4.141 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1C ZINC000051585807 822766992 /nfs/dbraw/zinc/76/69/92/822766992.db2.gz QQSKPGYDBZHLKR-UHFFFAOYSA-N 1 2 383.448 4.070 20 0 GIADLO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000185338201 822768203 /nfs/dbraw/zinc/76/82/03/822768203.db2.gz PMZPGBFIFOQYNG-LLVKDONJSA-N 1 2 395.272 4.146 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(C)cc2OCC(F)(F)F)c1C ZINC000051643360 822770217 /nfs/dbraw/zinc/77/02/17/822770217.db2.gz WDJIVZBXLNKGMY-UHFFFAOYSA-N 1 2 397.397 4.278 20 0 GIADLO COc1ccccc1[C@H]1CN(C(=O)c2ccc([C@H](C)C(F)(F)F)cc2)CC[NH2+]1 ZINC000456068208 822773817 /nfs/dbraw/zinc/77/38/17/822773817.db2.gz NPJILPWXARXKDA-KBXCAEBGSA-N 1 2 392.421 4.148 20 0 GIADLO CCCCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000051801841 822779223 /nfs/dbraw/zinc/77/92/23/822779223.db2.gz GVCFPSXWSLGCQG-UHFFFAOYSA-N 1 2 385.321 4.107 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C(F)(F)F)C[C@@H]3C)cn2c1 ZINC000456130753 822782151 /nfs/dbraw/zinc/78/21/51/822782151.db2.gz QDUCQYALRPXVMU-UONOGXRCSA-N 1 2 385.455 4.065 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1Oc1cccnc1 ZINC000052026523 822788202 /nfs/dbraw/zinc/78/82/02/822788202.db2.gz QVKKQAFJUWTFQX-UHFFFAOYSA-N 1 2 384.439 4.049 20 0 GIADLO Cc1noc(C)c1C[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000174427241 822788554 /nfs/dbraw/zinc/78/85/54/822788554.db2.gz FJALHMLJYOVPDW-INIZCTEOSA-N 1 2 382.245 4.233 20 0 GIADLO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000174427241 822788553 /nfs/dbraw/zinc/78/85/53/822788553.db2.gz FJALHMLJYOVPDW-INIZCTEOSA-N 1 2 382.245 4.233 20 0 GIADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185492662 822790332 /nfs/dbraw/zinc/79/03/32/822790332.db2.gz LTNRHCQKJKZESX-CQSZACIVSA-N 1 2 393.314 4.304 20 0 GIADLO CC(C)Cn1ccnc1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000174455326 822792410 /nfs/dbraw/zinc/79/24/10/822792410.db2.gz FKVHMXNRNMGYDQ-UHFFFAOYSA-N 1 2 388.256 4.193 20 0 GIADLO CC(C)Oc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000052267424 822795256 /nfs/dbraw/zinc/79/52/56/822795256.db2.gz LMWXWFVPGIFITK-UHFFFAOYSA-N 1 2 377.485 4.024 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000185576962 822798456 /nfs/dbraw/zinc/79/84/56/822798456.db2.gz WDQSOWYPSCOCNE-ZDUSSCGKSA-N 1 2 394.338 4.421 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CC[C@H](C)C[C@H]3c3ccco3)n2)c(OC)c1 ZINC000174509439 822798833 /nfs/dbraw/zinc/79/88/33/822798833.db2.gz OQLOFPVEXHZSAP-YOEHRIQHSA-N 1 2 383.448 4.320 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CC[C@H](C)C[C@H]3c3ccco3)n2)c(OC)c1 ZINC000174509439 822798836 /nfs/dbraw/zinc/79/88/36/822798836.db2.gz OQLOFPVEXHZSAP-YOEHRIQHSA-N 1 2 383.448 4.320 20 0 GIADLO Cc1ccc(SC[C@H](C)NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000185582747 822798988 /nfs/dbraw/zinc/79/89/88/822798988.db2.gz BGNHTFCUGVMFFS-SFHVURJKSA-N 1 2 394.544 4.220 20 0 GIADLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cs1 ZINC000185629740 822804110 /nfs/dbraw/zinc/80/41/10/822804110.db2.gz AZHKGTMUYRZTBL-BXKDBHETSA-N 1 2 376.448 4.077 20 0 GIADLO COc1cc(C[N@H+](Cc2cn3cc(C)ccc3n2)C2CC2)ccc1OC(F)F ZINC000052685789 822807236 /nfs/dbraw/zinc/80/72/36/822807236.db2.gz NVNGHQSJSMBYSY-UHFFFAOYSA-N 1 2 387.430 4.417 20 0 GIADLO COc1cc(C[N@@H+](Cc2cn3cc(C)ccc3n2)C2CC2)ccc1OC(F)F ZINC000052685789 822807239 /nfs/dbraw/zinc/80/72/39/822807239.db2.gz NVNGHQSJSMBYSY-UHFFFAOYSA-N 1 2 387.430 4.417 20 0 GIADLO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000185657643 822807534 /nfs/dbraw/zinc/80/75/34/822807534.db2.gz CZXWHHMKPFASAM-AABGPTMBSA-N 1 2 392.334 4.024 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c(Br)c1 ZINC000174593240 822809433 /nfs/dbraw/zinc/80/94/33/822809433.db2.gz VIYARKRCYVIMQX-GFCCVEGCSA-N 1 2 396.716 4.265 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c(Br)c1 ZINC000174593240 822809437 /nfs/dbraw/zinc/80/94/37/822809437.db2.gz VIYARKRCYVIMQX-GFCCVEGCSA-N 1 2 396.716 4.265 20 0 GIADLO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c(OC)cc1Cl ZINC000052803752 822811082 /nfs/dbraw/zinc/81/10/82/822811082.db2.gz MEHVLEKWVFFACD-OAHLLOKOSA-N 1 2 380.897 4.194 20 0 GIADLO COc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)c(OC)cc1Cl ZINC000052803752 822811084 /nfs/dbraw/zinc/81/10/84/822811084.db2.gz MEHVLEKWVFFACD-OAHLLOKOSA-N 1 2 380.897 4.194 20 0 GIADLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CCN1 ZINC000052834888 822812484 /nfs/dbraw/zinc/81/24/84/822812484.db2.gz LMKYLAJFUASZRA-GOSISDBHSA-N 1 2 381.863 4.058 20 0 GIADLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CCN1 ZINC000052834888 822812488 /nfs/dbraw/zinc/81/24/88/822812488.db2.gz LMKYLAJFUASZRA-GOSISDBHSA-N 1 2 381.863 4.058 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(Br)cc3)n2)c1 ZINC000174655481 822818577 /nfs/dbraw/zinc/81/85/77/822818577.db2.gz CRBNCFBSXVZILH-GFCCVEGCSA-N 1 2 388.265 4.359 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000174662946 822820347 /nfs/dbraw/zinc/82/03/47/822820347.db2.gz PPKVASYDGWNOAU-GBXCKJPGSA-N 1 2 387.483 4.195 20 0 GIADLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 ZINC000053147556 822823591 /nfs/dbraw/zinc/82/35/91/822823591.db2.gz AHRQMKUYCGAEMZ-HXUWFJFHSA-N 1 2 377.879 4.138 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NC(C)(C)c3ccc(F)cc3)CC2)cc1 ZINC000174708795 822826659 /nfs/dbraw/zinc/82/66/59/822826659.db2.gz OSTZGEQQIATCAB-UHFFFAOYSA-N 1 2 398.526 4.095 20 0 GIADLO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(Cl)c(OC)cc1Cl)n2C ZINC000185842870 822826666 /nfs/dbraw/zinc/82/66/66/822826666.db2.gz QKFFAYJTSVDPKH-UHFFFAOYSA-N 1 2 380.275 4.187 20 0 GIADLO COc1ccccc1C[N@H+](CC(=O)Nc1ccccc1Br)C1CC1 ZINC000053238289 822827563 /nfs/dbraw/zinc/82/75/63/822827563.db2.gz AMXDBPDCEQYFPK-UHFFFAOYSA-N 1 2 389.293 4.061 20 0 GIADLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccccc1Br)C1CC1 ZINC000053238289 822827564 /nfs/dbraw/zinc/82/75/64/822827564.db2.gz AMXDBPDCEQYFPK-UHFFFAOYSA-N 1 2 389.293 4.061 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cnc(Cc2ccccc2F)s1 ZINC000185860860 822827867 /nfs/dbraw/zinc/82/78/67/822827867.db2.gz RGOJRXLHHZFGCN-UHFFFAOYSA-N 1 2 378.432 4.311 20 0 GIADLO CCOc1cc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)ccc1OC(F)F ZINC000185876629 822829329 /nfs/dbraw/zinc/82/93/29/822829329.db2.gz JDFGGGRDBVBWML-UHFFFAOYSA-N 1 2 385.414 4.434 20 0 GIADLO CC[C@H]([NH2+]CC(=O)NCCC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185942521 822835872 /nfs/dbraw/zinc/83/58/72/822835872.db2.gz QRQVXMIPNVUPIE-ZDUSSCGKSA-N 1 2 377.476 4.289 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1nc(C(F)(F)F)cs1 ZINC000185955329 822837003 /nfs/dbraw/zinc/83/70/03/822837003.db2.gz JCQLVVJRVKWHGK-VHSXEESVSA-N 1 2 377.457 4.142 20 0 GIADLO Cc1cc(C)c(CNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c[nH+]1 ZINC000456851468 822838091 /nfs/dbraw/zinc/83/80/91/822838091.db2.gz WNFDWAIQIJXJRQ-UHFFFAOYSA-N 1 2 399.853 4.071 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1C)c1nc(C(F)(F)F)cs1 ZINC000185964084 822838361 /nfs/dbraw/zinc/83/83/61/822838361.db2.gz KHTSEWBXGUYGCA-CQSZACIVSA-N 1 2 385.455 4.170 20 0 GIADLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456857945 822838583 /nfs/dbraw/zinc/83/85/83/822838583.db2.gz LJGFKXCIDBRRJX-UHFFFAOYSA-N 1 2 382.895 4.013 20 0 GIADLO CC[C@H]([NH2+][C@H](C)C(=O)NCC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185973416 822839733 /nfs/dbraw/zinc/83/97/33/822839733.db2.gz KVSNZBOPPZJSIH-YPMHNXCESA-N 1 2 377.476 4.288 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(Br)cc(F)c1O ZINC000185986314 822841330 /nfs/dbraw/zinc/84/13/30/822841330.db2.gz GMZRKDWKBGDROA-NSHDSACASA-N 1 2 379.229 4.047 20 0 GIADLO CCOC(=O)c1nc(C[NH+]2CCC(c3c(C)[nH]c4ccccc43)CC2)cs1 ZINC000053743861 822846787 /nfs/dbraw/zinc/84/67/87/822846787.db2.gz BTRUZXCHYAAYAS-UHFFFAOYSA-N 1 2 383.517 4.489 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000053780512 822847901 /nfs/dbraw/zinc/84/79/01/822847901.db2.gz WYVMCUHPOIKQEZ-QHCPKHFHSA-N 1 2 387.483 4.212 20 0 GIADLO CC(C)c1ccc(-c2ncc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)s2)cc1 ZINC000174861778 822847930 /nfs/dbraw/zinc/84/79/30/822847930.db2.gz GNXNAPMUIFXRKF-LSDHHAIUSA-N 1 2 380.579 4.187 20 0 GIADLO CC(C)c1ccc(-c2ncc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)s2)cc1 ZINC000174861778 822847934 /nfs/dbraw/zinc/84/79/34/822847934.db2.gz GNXNAPMUIFXRKF-LSDHHAIUSA-N 1 2 380.579 4.187 20 0 GIADLO Cc1ccc(Nc2nc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)cs2)cc1 ZINC000053845946 822850455 /nfs/dbraw/zinc/85/04/55/822850455.db2.gz OJZHEMBYZFOASZ-UHFFFAOYSA-N 1 2 384.549 4.030 20 0 GIADLO COc1ccc(CCC2CC[NH+](Cc3nc4ccsc4c(=O)[nH]3)CC2)cc1 ZINC000053847352 822850590 /nfs/dbraw/zinc/85/05/90/822850590.db2.gz VAOXHCREKYTBTM-UHFFFAOYSA-N 1 2 383.517 4.250 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000174895699 822852109 /nfs/dbraw/zinc/85/21/09/822852109.db2.gz NXFBAVPFXFBDOZ-UHFFFAOYSA-N 1 2 383.511 4.263 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)Cc1ccccc1F ZINC000174898649 822852615 /nfs/dbraw/zinc/85/26/15/822852615.db2.gz LABJUZPAESYPHL-SFHVURJKSA-N 1 2 383.511 4.164 20 0 GIADLO COc1ccc(F)cc1C[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000174901070 822852835 /nfs/dbraw/zinc/85/28/35/822852835.db2.gz ZAQPLLZESDTJIX-JOCHJYFZSA-N 1 2 399.487 4.117 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000174902662 822853183 /nfs/dbraw/zinc/85/31/83/822853183.db2.gz ZJPWPRBYRQADKC-UHFFFAOYSA-N 1 2 381.495 4.017 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1cccc(OC(C)C)c1 ZINC000174911460 822854666 /nfs/dbraw/zinc/85/46/66/822854666.db2.gz SDQACWTZTCGQSC-UHFFFAOYSA-N 1 2 395.547 4.176 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCCOc1ccc(F)cc1 ZINC000174913708 822855028 /nfs/dbraw/zinc/85/50/28/822855028.db2.gz OJNHSYOBZPDXJB-UHFFFAOYSA-N 1 2 399.510 4.145 20 0 GIADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S ZINC000174955303 822860755 /nfs/dbraw/zinc/86/07/55/822860755.db2.gz PBHNOZSVTRGPBA-DLBZAZTESA-N 1 2 379.533 4.212 20 0 GIADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S ZINC000174955303 822860758 /nfs/dbraw/zinc/86/07/58/822860758.db2.gz PBHNOZSVTRGPBA-DLBZAZTESA-N 1 2 379.533 4.212 20 0 GIADLO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1nc(C(F)(F)F)cs1 ZINC000174971400 822862932 /nfs/dbraw/zinc/86/29/32/822862932.db2.gz VYKOENVRBXENRQ-UHFFFAOYSA-N 1 2 377.819 4.276 20 0 GIADLO C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1nc(C(F)(F)F)cs1 ZINC000174971400 822862935 /nfs/dbraw/zinc/86/29/35/822862935.db2.gz VYKOENVRBXENRQ-UHFFFAOYSA-N 1 2 377.819 4.276 20 0 GIADLO Cc1cc(NC(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c(C)c[nH+]1 ZINC000568960160 822865323 /nfs/dbraw/zinc/86/53/23/822865323.db2.gz CKZDKTYDRWNHMG-KBXCAEBGSA-N 1 2 393.409 4.133 20 0 GIADLO Cn1c(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000186253717 822865384 /nfs/dbraw/zinc/86/53/84/822865384.db2.gz SRQUSKBMHDDONE-UHFFFAOYSA-N 1 2 380.879 4.130 20 0 GIADLO Cn1c(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000186253717 822865388 /nfs/dbraw/zinc/86/53/88/822865388.db2.gz SRQUSKBMHDDONE-UHFFFAOYSA-N 1 2 380.879 4.130 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC2(Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000186263029 822866676 /nfs/dbraw/zinc/86/66/76/822866676.db2.gz XHVBKGAIZSVQCO-RTBURBONSA-N 1 2 393.531 4.193 20 0 GIADLO Cc1nc(-c2ccccc2C)sc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000568980866 822867228 /nfs/dbraw/zinc/86/72/28/822867228.db2.gz DRNDJSRORCOZFX-DOTOQJQBSA-N 1 2 396.516 4.403 20 0 GIADLO Cc1nc(-c2ccccc2C)sc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000568980866 822867230 /nfs/dbraw/zinc/86/72/30/822867230.db2.gz DRNDJSRORCOZFX-DOTOQJQBSA-N 1 2 396.516 4.403 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)Cc1cccs1 ZINC000175020208 822868532 /nfs/dbraw/zinc/86/85/32/822868532.db2.gz JMEYGMTXQSKHSL-KRWDZBQOSA-N 1 2 386.565 4.022 20 0 GIADLO Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224360 822869435 /nfs/dbraw/zinc/86/94/35/822869435.db2.gz QRZMZCGSLSLDDJ-UHFFFAOYSA-N 1 2 383.471 4.052 20 0 GIADLO O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225789 822869444 /nfs/dbraw/zinc/86/94/44/822869444.db2.gz LQGMMZWIQATKTN-UHFFFAOYSA-N 1 2 379.313 4.091 20 0 GIADLO Cc1sc(C2(NC(=O)CCc3c[nH]c[nH+]3)CCC2)nc1-c1ccccc1F ZINC000569045570 822872962 /nfs/dbraw/zinc/87/29/62/822872962.db2.gz OCONCWMQSLTWHZ-UHFFFAOYSA-N 1 2 384.480 4.109 20 0 GIADLO Cc1sc(C2(NC(=O)CCc3c[nH+]c[nH]3)CCC2)nc1-c1ccccc1F ZINC000569045570 822872965 /nfs/dbraw/zinc/87/29/65/822872965.db2.gz OCONCWMQSLTWHZ-UHFFFAOYSA-N 1 2 384.480 4.109 20 0 GIADLO O=C(Cc1ccccc1OC1CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000457408243 822873544 /nfs/dbraw/zinc/87/35/44/822873544.db2.gz UYLIZBQEJGEBSJ-UHFFFAOYSA-N 1 2 394.515 4.021 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000054295203 822873577 /nfs/dbraw/zinc/87/35/77/822873577.db2.gz PWFMMMGFZJYWKJ-UHFFFAOYSA-N 1 2 379.435 4.279 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000054297743 822873700 /nfs/dbraw/zinc/87/37/00/822873700.db2.gz NKWLFBHEOWEIFK-OAHLLOKOSA-N 1 2 386.442 4.195 20 0 GIADLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186318562 822875588 /nfs/dbraw/zinc/87/55/88/822875588.db2.gz UUCYKDGKFRWVTC-GOSISDBHSA-N 1 2 382.895 4.481 20 0 GIADLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186318562 822875591 /nfs/dbraw/zinc/87/55/91/822875591.db2.gz UUCYKDGKFRWVTC-GOSISDBHSA-N 1 2 382.895 4.481 20 0 GIADLO CN(c1ccccc1)C1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 ZINC000186363105 822882437 /nfs/dbraw/zinc/88/24/37/822882437.db2.gz DNKOITJYJBGLHN-UHFFFAOYSA-N 1 2 395.938 4.236 20 0 GIADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000569140013 822883185 /nfs/dbraw/zinc/88/31/85/822883185.db2.gz ZZACAGJBXZFJOP-SJLPKXTDSA-N 1 2 379.426 4.214 20 0 GIADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000569140011 822883263 /nfs/dbraw/zinc/88/32/63/822883263.db2.gz ZZACAGJBXZFJOP-AEFFLSMTSA-N 1 2 379.426 4.214 20 0 GIADLO COCc1nc2cc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)ccc2o1 ZINC000175108735 822883655 /nfs/dbraw/zinc/88/36/55/822883655.db2.gz BJCBZNLEQQXRMC-LJQANCHMSA-N 1 2 397.450 4.107 20 0 GIADLO COCc1nc2cc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)ccc2o1 ZINC000175108735 822883660 /nfs/dbraw/zinc/88/36/60/822883660.db2.gz BJCBZNLEQQXRMC-LJQANCHMSA-N 1 2 397.450 4.107 20 0 GIADLO CC(C)c1nn(C)c(Cl)c1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000175125695 822887543 /nfs/dbraw/zinc/88/75/43/822887543.db2.gz LIGPAAYRIARYFZ-LBPRGKRZSA-N 1 2 395.960 4.138 20 0 GIADLO CC(C)c1nn(C)c(Cl)c1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000175125695 822887548 /nfs/dbraw/zinc/88/75/48/822887548.db2.gz LIGPAAYRIARYFZ-LBPRGKRZSA-N 1 2 395.960 4.138 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1[nH]ccc1C1CC1 ZINC000457537673 822887708 /nfs/dbraw/zinc/88/77/08/822887708.db2.gz LLYIUBXVKQJYQJ-UHFFFAOYSA-N 1 2 392.503 4.220 20 0 GIADLO C[C@H](CC(F)(F)F)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457549269 822889193 /nfs/dbraw/zinc/88/91/93/822889193.db2.gz CGOOHUCVFSBKHH-BXUZGUMPSA-N 1 2 380.813 4.148 20 0 GIADLO C[C@H](CC(F)(F)F)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457549269 822889197 /nfs/dbraw/zinc/88/91/97/822889197.db2.gz CGOOHUCVFSBKHH-BXUZGUMPSA-N 1 2 380.813 4.148 20 0 GIADLO CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000457550969 822889395 /nfs/dbraw/zinc/88/93/95/822889395.db2.gz DMBDWVALQHRYRL-GOTSBHOMSA-N 1 2 388.515 4.409 20 0 GIADLO CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000457550970 822889466 /nfs/dbraw/zinc/88/94/66/822889466.db2.gz DMBDWVALQHRYRL-PKTZIBPZSA-N 1 2 388.515 4.409 20 0 GIADLO Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(C)[nH+]c2C)nc1 ZINC000186423215 822892190 /nfs/dbraw/zinc/89/21/90/822892190.db2.gz NARRPSHZEHAYNM-UHFFFAOYSA-N 1 2 388.496 4.393 20 0 GIADLO CN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000457612323 822897305 /nfs/dbraw/zinc/89/73/05/822897305.db2.gz VOBBXQAKSYZEGD-RTWAWAEBSA-N 1 2 378.520 4.160 20 0 GIADLO Cc1nocc1CSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000569259454 822897828 /nfs/dbraw/zinc/89/78/28/822897828.db2.gz AQTADSMJTUSQGJ-INIZCTEOSA-N 1 2 383.521 4.403 20 0 GIADLO CC[C@@H](Oc1ccccc1F)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000175181110 822899048 /nfs/dbraw/zinc/89/90/48/822899048.db2.gz DJWONZONGSHBPP-MRXNPFEDSA-N 1 2 377.485 4.064 20 0 GIADLO COc1ccc([C@H](C)CCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000175182369 822899366 /nfs/dbraw/zinc/89/93/66/822899366.db2.gz SLQSKEKTQZGRRX-GOSISDBHSA-N 1 2 396.535 4.074 20 0 GIADLO Cc1cn2cc(NC(=O)NCC3(c4ccc(Cl)cc4)CCOCC3)ccc2[nH+]1 ZINC000569291844 822902715 /nfs/dbraw/zinc/90/27/15/822902715.db2.gz UEVNVYRUOBHMLN-UHFFFAOYSA-N 1 2 398.894 4.166 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCc2cccs2)C[C@H](C)O1 ZINC000175210678 822905229 /nfs/dbraw/zinc/90/52/29/822905229.db2.gz FBHCPNXXNNHHQW-IRXDYDNUSA-N 1 2 387.549 4.064 20 0 GIADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000186557406 822912696 /nfs/dbraw/zinc/91/26/96/822912696.db2.gz NEMWFLUQSJGSSN-UHFFFAOYSA-N 1 2 379.895 4.437 20 0 GIADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054809093 822914900 /nfs/dbraw/zinc/91/49/00/822914900.db2.gz QNVUGRCOFCSVHP-UHFFFAOYSA-N 1 2 399.922 4.037 20 0 GIADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054809093 822914903 /nfs/dbraw/zinc/91/49/03/822914903.db2.gz QNVUGRCOFCSVHP-UHFFFAOYSA-N 1 2 399.922 4.037 20 0 GIADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457754351 822915018 /nfs/dbraw/zinc/91/50/18/822915018.db2.gz FSBIFFSXQAXVMS-HNNXBMFYSA-N 1 2 396.878 4.281 20 0 GIADLO S=c1oc2ccc(Cl)cc2n1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000175252560 822915067 /nfs/dbraw/zinc/91/50/67/822915067.db2.gz QTXWKLAKSFNCPH-OAHLLOKOSA-N 1 2 382.913 4.235 20 0 GIADLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)C(=O)Nc1cccc(SC)c1)C2 ZINC000569395519 822916116 /nfs/dbraw/zinc/91/61/16/822916116.db2.gz AQLGFIVUJXTFRF-HNNXBMFYSA-N 1 2 382.529 4.292 20 0 GIADLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc(SC)c1)C2 ZINC000569395519 822916119 /nfs/dbraw/zinc/91/61/19/822916119.db2.gz AQLGFIVUJXTFRF-HNNXBMFYSA-N 1 2 382.529 4.292 20 0 GIADLO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000569447854 822924818 /nfs/dbraw/zinc/92/48/18/822924818.db2.gz WXFNNWIYHQTCNL-AEFFLSMTSA-N 1 2 375.472 4.064 20 0 GIADLO Cc1cccc(COc2ccc([C@@H](C)NC(=O)[C@H]3CCc4c[nH+]cn4C3)cc2)c1 ZINC000569461392 822925795 /nfs/dbraw/zinc/92/57/95/822925795.db2.gz ZKKKTIGVEXSIES-NQIIRXRSSA-N 1 2 389.499 4.210 20 0 GIADLO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@@H+](C)Cc1nccs1)c1ccccc1 ZINC000175300798 822929210 /nfs/dbraw/zinc/92/92/10/822929210.db2.gz JWJOWMDEIIBNSV-UGKGYDQZSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@H+](C)Cc1nccs1)c1ccccc1 ZINC000175300798 822929211 /nfs/dbraw/zinc/92/92/11/822929211.db2.gz JWJOWMDEIIBNSV-UGKGYDQZSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1ccc(-c2nc(C[NH+]3CCC(NC(=O)Nc4ccccc4)CC3)cs2)o1 ZINC000055032580 822932847 /nfs/dbraw/zinc/93/28/47/822932847.db2.gz OHQWBEQSYQPAAN-UHFFFAOYSA-N 1 2 396.516 4.498 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCSC2(CCCCC2)C1 ZINC000175347608 822941428 /nfs/dbraw/zinc/94/14/28/822941428.db2.gz CTEPEIFUDXYIAZ-UHFFFAOYSA-N 1 2 388.581 4.033 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000175347818 822941470 /nfs/dbraw/zinc/94/14/70/822941470.db2.gz ZDWJNDPWOGXYQB-QFIPXVFZSA-N 1 2 390.531 4.433 20 0 GIADLO CC(=O)N(c1nc(C[NH2+][C@@H]2CO[C@@H](C)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000569603727 822943818 /nfs/dbraw/zinc/94/38/18/822943818.db2.gz AURFAWBFGBFRHB-FZMZJTMJSA-N 1 2 399.438 4.114 20 0 GIADLO CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000175358264 822945035 /nfs/dbraw/zinc/94/50/35/822945035.db2.gz GOLPKWRXCVGMIT-SJORKVTESA-N 1 2 388.537 4.148 20 0 GIADLO CC(C)(C)Oc1cccc(CCC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)n1 ZINC000569615852 822945223 /nfs/dbraw/zinc/94/52/23/822945223.db2.gz AEGQKDVJCUKNQD-WGSAOQKQSA-N 1 2 396.535 4.126 20 0 GIADLO COc1ccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1Cl ZINC000055254590 822948203 /nfs/dbraw/zinc/94/82/03/822948203.db2.gz LDNRYMOJPMMFLP-UHFFFAOYSA-N 1 2 375.881 4.177 20 0 GIADLO O=C(c1cc2ccccc2cc1O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000055425906 822961230 /nfs/dbraw/zinc/96/12/30/822961230.db2.gz LOPGBMBRTOACOF-UHFFFAOYSA-N 1 2 397.478 4.052 20 0 GIADLO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000175432931 822967322 /nfs/dbraw/zinc/96/73/22/822967322.db2.gz SWUKYUZELIUBFS-VGOFRKELSA-N 1 2 392.478 4.363 20 0 GIADLO O=C([C@@H](Sc1ccccc1Cl)c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000569775774 822967369 /nfs/dbraw/zinc/96/73/69/822967369.db2.gz HIPOUWQJACIXQF-IBGZPJMESA-N 1 2 383.904 4.412 20 0 GIADLO Cc1cccc2[nH+]c(CCc3nc(-c4ccc(N5CCCCC5)nc4)no3)[nH]c21 ZINC000175446708 822971041 /nfs/dbraw/zinc/97/10/41/822971041.db2.gz CTDIGFPKEYSAKH-UHFFFAOYSA-N 1 2 388.475 4.092 20 0 GIADLO C[C@@H](NC[C@H](c1ccco1)[NH+]1CCCC1)c1ncc(Br)cc1F ZINC000186914921 822979463 /nfs/dbraw/zinc/97/94/63/822979463.db2.gz GIGSFMDUCHXLHC-IUODEOHRSA-N 1 2 382.277 4.064 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CC1 ZINC000175484549 822980292 /nfs/dbraw/zinc/98/02/92/822980292.db2.gz VULNWDKROSVPKJ-MRXNPFEDSA-N 1 2 398.482 4.063 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000569905345 822984100 /nfs/dbraw/zinc/98/41/00/822984100.db2.gz YQCDHAVWKXUZJV-WMZOPIPTSA-N 1 2 386.927 4.351 20 0 GIADLO C[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000569908250 822984340 /nfs/dbraw/zinc/98/43/40/822984340.db2.gz GZKLDZQXAPCPLU-KBXCAEBGSA-N 1 2 393.409 4.067 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2CCC(C)(CO)CC2)cs1)c1ccc(C)c(C)c1 ZINC000186976019 822990729 /nfs/dbraw/zinc/99/07/29/822990729.db2.gz BDTDFRMIHSKVQR-UHFFFAOYSA-N 1 2 387.549 4.039 20 0 GIADLO COc1cc2c(cc1C[NH2+][C@H](C)c1ncc(Br)cc1F)O[C@H](C)C2 ZINC000186980923 822991805 /nfs/dbraw/zinc/99/18/05/822991805.db2.gz MGFPLTXJLWUDSK-GHMZBOCLSA-N 1 2 395.272 4.166 20 0 GIADLO COc1ccccc1[C@H](C)CC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000175554574 822996319 /nfs/dbraw/zinc/99/63/19/822996319.db2.gz VQJOYRUSDHNMNL-MSOLQXFVSA-N 1 2 384.495 4.233 20 0 GIADLO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000175561272 822997838 /nfs/dbraw/zinc/99/78/38/822997838.db2.gz VSLSDKGMEFMJHJ-JTSKRJEESA-N 1 2 392.478 4.363 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Br)cc1Cl ZINC000055696444 823000320 /nfs/dbraw/zinc/00/03/20/823000320.db2.gz KSGVCRIAWXULIC-UHFFFAOYSA-N 1 2 390.668 4.218 20 0 GIADLO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000055701352 823000642 /nfs/dbraw/zinc/00/06/42/823000642.db2.gz WCLMWDBYMRSLJF-LJQANCHMSA-N 1 2 391.515 4.470 20 0 GIADLO COc1ccc2occ(-c3nc([C@@H]4C[N@H+](Cc5ccccc5)CCO4)no3)c2c1 ZINC000570081774 823004192 /nfs/dbraw/zinc/00/41/92/823004192.db2.gz VULHQZUOJIGBER-FQEVSTJZSA-N 1 2 391.427 4.065 20 0 GIADLO COc1ccc2occ(-c3nc([C@@H]4C[N@@H+](Cc5ccccc5)CCO4)no3)c2c1 ZINC000570081774 823004196 /nfs/dbraw/zinc/00/41/96/823004196.db2.gz VULHQZUOJIGBER-FQEVSTJZSA-N 1 2 391.427 4.065 20 0 GIADLO Cc1onc(-c2cccc(Cl)c2)c1-c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000570082476 823004268 /nfs/dbraw/zinc/00/42/68/823004268.db2.gz IRFBIHDHONFWMS-OAHLLOKOSA-N 1 2 388.855 4.135 20 0 GIADLO Cc1onc(-c2cccc(Cl)c2)c1-c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000570082476 823004271 /nfs/dbraw/zinc/00/42/71/823004271.db2.gz IRFBIHDHONFWMS-OAHLLOKOSA-N 1 2 388.855 4.135 20 0 GIADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3ccccc3Oc3cnccn3)no2)c1 ZINC000570170690 823012003 /nfs/dbraw/zinc/01/20/03/823012003.db2.gz WASQFVLAXPZLIZ-UHFFFAOYSA-N 1 2 396.410 4.480 20 0 GIADLO COc1ccc([C@@H](C)CCNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000175644693 823012051 /nfs/dbraw/zinc/01/20/51/823012051.db2.gz NCWFHFTWLHAYSI-HNNXBMFYSA-N 1 2 385.508 4.051 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCCC[C@H]2CCO)cs1)c1ccc(Cl)cc1 ZINC000175662385 823015215 /nfs/dbraw/zinc/01/52/15/823015215.db2.gz DUEPDEDISIVNEW-KRWDZBQOSA-N 1 2 393.940 4.218 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCCC[C@H]2CCO)cs1)c1ccc(Cl)cc1 ZINC000175662385 823015220 /nfs/dbraw/zinc/01/52/20/823015220.db2.gz DUEPDEDISIVNEW-KRWDZBQOSA-N 1 2 393.940 4.218 20 0 GIADLO C[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(Br)s1 ZINC000175665078 823015633 /nfs/dbraw/zinc/01/56/33/823015633.db2.gz AWBTXYRDDBQFQQ-GFCCVEGCSA-N 1 2 390.306 4.116 20 0 GIADLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)o1 ZINC000570236163 823017581 /nfs/dbraw/zinc/01/75/81/823017581.db2.gz XXMDBPQXZSGWJC-MRXNPFEDSA-N 1 2 399.539 4.204 20 0 GIADLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)o1 ZINC000570236163 823017583 /nfs/dbraw/zinc/01/75/83/823017583.db2.gz XXMDBPQXZSGWJC-MRXNPFEDSA-N 1 2 399.539 4.204 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1F ZINC000175683464 823019658 /nfs/dbraw/zinc/01/96/58/823019658.db2.gz UYVXLSQCKIRDDL-UHFFFAOYSA-N 1 2 393.340 4.372 20 0 GIADLO CC(C)(C)[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(F)c1 ZINC000175694957 823022069 /nfs/dbraw/zinc/02/20/69/823022069.db2.gz HXNAGGJOAWKITP-FQEVSTJZSA-N 1 2 384.499 4.408 20 0 GIADLO COCCOc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c(Cl)c1 ZINC000570316330 823025098 /nfs/dbraw/zinc/02/50/98/823025098.db2.gz OOROQTOLCWHQIT-UHFFFAOYSA-N 1 2 396.834 4.268 20 0 GIADLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1csc(-c2cccc3ccccc32)n1 ZINC000570315792 823025152 /nfs/dbraw/zinc/02/51/52/823025152.db2.gz DTENBDRALDOEBL-UHFFFAOYSA-N 1 2 398.451 4.191 20 0 GIADLO COc1ccc(C(C)(C)c2noc([C@H](c3ccccc3)[NH+](C)C)n2)cc1OC ZINC000570364516 823029323 /nfs/dbraw/zinc/02/93/23/823029323.db2.gz NGYGHPIDXFUVGR-IBGZPJMESA-N 1 2 381.476 4.064 20 0 GIADLO C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)ccc1Cl ZINC000187270097 823033995 /nfs/dbraw/zinc/03/39/95/823033995.db2.gz YPBVUUFXZWMHRS-GXTWGEPZSA-N 1 2 379.291 4.028 20 0 GIADLO C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)ccc1Cl ZINC000187270734 823034077 /nfs/dbraw/zinc/03/40/77/823034077.db2.gz YPBVUUFXZWMHRS-OCCSQVGLSA-N 1 2 379.291 4.028 20 0 GIADLO COC(=O)CC[C@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccccc1 ZINC000187329643 823044447 /nfs/dbraw/zinc/04/44/47/823044447.db2.gz IBWIRCMQICNRRW-LRDDRELGSA-N 1 2 395.272 4.328 20 0 GIADLO CC(C)c1ccc(C[C@@H]2CCN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C2)cc1 ZINC000460918039 823541920 /nfs/dbraw/zinc/54/19/20/823541920.db2.gz PRFVPENCFVLXLZ-FQEVSTJZSA-N 1 2 394.563 4.160 20 0 GIADLO CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc[nH+]c(C)c2)[C@H]1c1ccccc1OC ZINC000123841404 823544837 /nfs/dbraw/zinc/54/48/37/823544837.db2.gz YMRLGGGDNVKYFC-DENIHFKCSA-N 1 2 395.503 4.117 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000190177975 823546903 /nfs/dbraw/zinc/54/69/03/823546903.db2.gz HEVNSGRSQXWKRK-CYBMUJFWSA-N 1 2 376.526 4.122 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000190177975 823546907 /nfs/dbraw/zinc/54/69/07/823546907.db2.gz HEVNSGRSQXWKRK-CYBMUJFWSA-N 1 2 376.526 4.122 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000460958789 823550898 /nfs/dbraw/zinc/55/08/98/823550898.db2.gz IPFDGWIGRSAVLV-FHWLQOOXSA-N 1 2 391.918 4.198 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000460958789 823550902 /nfs/dbraw/zinc/55/09/02/823550902.db2.gz IPFDGWIGRSAVLV-FHWLQOOXSA-N 1 2 391.918 4.198 20 0 GIADLO CCC(CC)[C@@H](C(=O)N[C@H](C)c1ccccc1C(F)(F)F)[NH+]1CCOCC1 ZINC000460961340 823551257 /nfs/dbraw/zinc/55/12/57/823551257.db2.gz VDVBTGLFIQXHJR-KDOFPFPSSA-N 1 2 386.458 4.020 20 0 GIADLO CCC(CC)[C@@H](C(=O)N[C@@H](C)c1ccccc1C(F)(F)F)[NH+]1CCOCC1 ZINC000460961342 823551264 /nfs/dbraw/zinc/55/12/64/823551264.db2.gz VDVBTGLFIQXHJR-KSSFIOAISA-N 1 2 386.458 4.020 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1Br ZINC000123917560 823551516 /nfs/dbraw/zinc/55/15/16/823551516.db2.gz AIDMALXOHCJPKV-UHFFFAOYSA-N 1 2 390.668 4.218 20 0 GIADLO COCCSc1ccc([C@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)cc1 ZINC000123951066 823554543 /nfs/dbraw/zinc/55/45/43/823554543.db2.gz URJMDVXPUIQUFH-LSDHHAIUSA-N 1 2 384.505 4.282 20 0 GIADLO CC(C)c1ncc(Cl)c(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)n1 ZINC000123970748 823556706 /nfs/dbraw/zinc/55/67/06/823556706.db2.gz CXSBIMXIZHELGD-GFCCVEGCSA-N 1 2 393.944 4.194 20 0 GIADLO CC(C)c1ncc(Cl)c(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)n1 ZINC000123970748 823556710 /nfs/dbraw/zinc/55/67/10/823556710.db2.gz CXSBIMXIZHELGD-GFCCVEGCSA-N 1 2 393.944 4.194 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(F)c(F)c1 ZINC000060780819 823556979 /nfs/dbraw/zinc/55/69/79/823556979.db2.gz URZVRIZCHZSXIC-UHFFFAOYSA-N 1 2 399.441 4.293 20 0 GIADLO C[C@H]1[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1(F)F ZINC000460999724 823557439 /nfs/dbraw/zinc/55/74/39/823557439.db2.gz JPTGIQXWWPYRLA-MGPUTAFESA-N 1 2 381.426 4.116 20 0 GIADLO CC[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000123981161 823557609 /nfs/dbraw/zinc/55/76/09/823557609.db2.gz WPXJNNVFLYGIGI-HXUWFJFHSA-N 1 2 384.430 4.160 20 0 GIADLO Cc1nn(-c2ccc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2)c(C)c1Cl ZINC000123994489 823558352 /nfs/dbraw/zinc/55/83/52/823558352.db2.gz USKRHPQXMSZJTD-AUUYWEPGSA-N 1 2 397.910 4.062 20 0 GIADLO CC(C)(CC(F)F)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000411231412 823559274 /nfs/dbraw/zinc/55/92/74/823559274.db2.gz RIJCYMIRXITNEF-UHFFFAOYSA-N 1 2 379.476 4.321 20 0 GIADLO CC(C)(CC(F)F)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000411231412 823559275 /nfs/dbraw/zinc/55/92/75/823559275.db2.gz RIJCYMIRXITNEF-UHFFFAOYSA-N 1 2 379.476 4.321 20 0 GIADLO C[C@H](NC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000190295513 823559914 /nfs/dbraw/zinc/55/99/14/823559914.db2.gz PPYRUVACQIJTNR-XJABCFGWSA-N 1 2 390.487 4.010 20 0 GIADLO C#CC[N@@H+](CC(=O)Nc1ccccc1Br)[C@H]1CCc2ccccc21 ZINC000060843084 823561525 /nfs/dbraw/zinc/56/15/25/823561525.db2.gz UYRDOIJIJJCZCG-IBGZPJMESA-N 1 2 383.289 4.010 20 0 GIADLO C#CC[N@H+](CC(=O)Nc1ccccc1Br)[C@H]1CCc2ccccc21 ZINC000060843084 823561528 /nfs/dbraw/zinc/56/15/28/823561528.db2.gz UYRDOIJIJJCZCG-IBGZPJMESA-N 1 2 383.289 4.010 20 0 GIADLO COc1cc(C[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C2CC2)ccc1O ZINC000190312992 823561689 /nfs/dbraw/zinc/56/16/89/823561689.db2.gz GCHKAOLEJWCDRS-UHFFFAOYSA-N 1 2 385.414 4.029 20 0 GIADLO COc1cc(C[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C2CC2)ccc1O ZINC000190312992 823561693 /nfs/dbraw/zinc/56/16/93/823561693.db2.gz GCHKAOLEJWCDRS-UHFFFAOYSA-N 1 2 385.414 4.029 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)C[C@@H]1n1cc[nH+]c1 ZINC000124038591 823562100 /nfs/dbraw/zinc/56/21/00/823562100.db2.gz VJAMNOVJMYLDNB-QKKBWIMNSA-N 1 2 378.451 4.171 20 0 GIADLO CC[N@H+](CCc1ccccc1)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000124042271 823562410 /nfs/dbraw/zinc/56/24/10/823562410.db2.gz VOLRKAOINRLSKW-UHFFFAOYSA-N 1 2 382.533 4.455 20 0 GIADLO CC[N@@H+](CCc1ccccc1)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000124042271 823562412 /nfs/dbraw/zinc/56/24/12/823562412.db2.gz VOLRKAOINRLSKW-UHFFFAOYSA-N 1 2 382.533 4.455 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(Cl)c(F)c3)CCCC2)no1 ZINC000124065863 823564681 /nfs/dbraw/zinc/56/46/81/823564681.db2.gz PTPAKLQEROALTR-UHFFFAOYSA-N 1 2 380.895 4.263 20 0 GIADLO COc1ccccc1[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccn1 ZINC000124100238 823567525 /nfs/dbraw/zinc/56/75/25/823567525.db2.gz BLCOGGZQWWAEPD-NRFANRHFSA-N 1 2 396.874 4.394 20 0 GIADLO Fc1c(F)c(CN2CCC(c3c[nH]c[nH+]3)CC2)c(F)c(F)c1Br ZINC000411387060 823568559 /nfs/dbraw/zinc/56/85/59/823568559.db2.gz ITACBEFPTUPTLD-UHFFFAOYSA-N 1 2 392.194 4.108 20 0 GIADLO CCCOc1ccc(NC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1Cl ZINC000411396101 823569792 /nfs/dbraw/zinc/56/97/92/823569792.db2.gz WUJSWIJLUKWLNB-UHFFFAOYSA-N 1 2 375.856 4.026 20 0 GIADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3ccc(Cl)c(F)c3)c2C1 ZINC000190425767 823572002 /nfs/dbraw/zinc/57/20/02/823572002.db2.gz QNRLFWQCJPKOPR-UHFFFAOYSA-N 1 2 382.888 4.147 20 0 GIADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)Cc3ccc(Cl)c(F)c3)c2C1 ZINC000190425767 823572004 /nfs/dbraw/zinc/57/20/04/823572004.db2.gz QNRLFWQCJPKOPR-UHFFFAOYSA-N 1 2 382.888 4.147 20 0 GIADLO CCOC(=O)[C@@H]1CC[C@@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H]1C ZINC000461089525 823574789 /nfs/dbraw/zinc/57/47/89/823574789.db2.gz XGUATKWRFUCSOM-BHIYHBOVSA-N 1 2 379.504 4.382 20 0 GIADLO O=C(CC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1)N1CCCC1 ZINC000061049098 823575307 /nfs/dbraw/zinc/57/53/07/823575307.db2.gz HYGQUXQRDWKCRP-UHFFFAOYSA-N 1 2 384.549 4.111 20 0 GIADLO CCOc1cccc([C@H](C)[NH2+]Cc2nc3sc4c(c3c(N)n2)CCCC4)c1 ZINC000411450901 823575950 /nfs/dbraw/zinc/57/59/50/823575950.db2.gz HKRPLOMAOIPBLR-ZDUSSCGKSA-N 1 2 382.533 4.402 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(Cl)c(F)c2)C[C@@H](C)O1 ZINC000124196816 823576534 /nfs/dbraw/zinc/57/65/34/823576534.db2.gz YQBUEBYDJSHCMN-ZIAGYGMSSA-N 1 2 376.859 4.341 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000190454069 823576728 /nfs/dbraw/zinc/57/67/28/823576728.db2.gz CGXMKOOUPHCEIO-SFTDATJTSA-N 1 2 382.552 4.279 20 0 GIADLO c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000124201720 823576882 /nfs/dbraw/zinc/57/68/82/823576882.db2.gz WDCLWXGDFVGXAK-GOSISDBHSA-N 1 2 379.485 4.313 20 0 GIADLO c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000124201720 823576883 /nfs/dbraw/zinc/57/68/83/823576883.db2.gz WDCLWXGDFVGXAK-GOSISDBHSA-N 1 2 379.485 4.313 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190481733 823579907 /nfs/dbraw/zinc/57/99/07/823579907.db2.gz JNUKUVKXRHQVQR-UHFFFAOYSA-N 1 2 385.483 4.134 20 0 GIADLO C[C@@H]1CCN(C(=O)CCCCc2nc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000124255838 823581480 /nfs/dbraw/zinc/58/14/80/823581480.db2.gz HKVPRCLTBFAALC-AEFFLSMTSA-N 1 2 382.533 4.315 20 0 GIADLO C[N@H+](Cc1ccccn1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190510487 823582383 /nfs/dbraw/zinc/58/23/83/823582383.db2.gz DCTSVBBXMJSFIH-QGZVFWFLSA-N 1 2 391.309 4.034 20 0 GIADLO C[N@@H+](Cc1ccccn1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190510487 823582385 /nfs/dbraw/zinc/58/23/85/823582385.db2.gz DCTSVBBXMJSFIH-QGZVFWFLSA-N 1 2 391.309 4.034 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(N3CCCCCC3)cc2C)c(C)[nH+]1 ZINC000411518070 823583671 /nfs/dbraw/zinc/58/36/71/823583671.db2.gz AMWMDOSHEFSEJH-UHFFFAOYSA-N 1 2 394.519 4.273 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@H]21)c1nc(C(F)(F)F)cs1 ZINC000411521807 823584324 /nfs/dbraw/zinc/58/43/24/823584324.db2.gz ZMIBFFXGZNRBDC-HZSPNIEDSA-N 1 2 389.487 4.384 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C(F)(F)F)cc2C)c1C ZINC000190555827 823585999 /nfs/dbraw/zinc/58/59/99/823585999.db2.gz WEGYTLZUFQRKGU-UHFFFAOYSA-N 1 2 395.425 4.376 20 0 GIADLO CC(C)([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1nc(C(F)(F)F)cs1 ZINC000411542917 823586896 /nfs/dbraw/zinc/58/68/96/823586896.db2.gz QOJVWLVOKRCQOS-QWHCGFSZSA-N 1 2 389.487 4.168 20 0 GIADLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000411563707 823588392 /nfs/dbraw/zinc/58/83/92/823588392.db2.gz FLRRQMQMMZGUMH-MRVPVSSYSA-N 1 2 398.219 4.199 20 0 GIADLO Clc1c(Br)cccc1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000411662970 823595741 /nfs/dbraw/zinc/59/57/41/823595741.db2.gz GYGDGVVXWJPCQK-OAHLLOKOSA-N 1 2 381.701 4.289 20 0 GIADLO Clc1c(Br)cccc1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000411662970 823595743 /nfs/dbraw/zinc/59/57/43/823595743.db2.gz GYGDGVVXWJPCQK-OAHLLOKOSA-N 1 2 381.701 4.289 20 0 GIADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCn3c[nH+]cc3C2)cc1C ZINC000461190980 823595894 /nfs/dbraw/zinc/59/58/94/823595894.db2.gz HVNZRGOPNNWZJT-UHFFFAOYSA-N 1 2 397.482 4.009 20 0 GIADLO CCn1cnc2c(c1=O)CC[N@@H+]([C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000411666192 823596040 /nfs/dbraw/zinc/59/60/40/823596040.db2.gz MDJKQHDAIIVEPU-OAQYLSRUSA-N 1 2 379.891 4.064 20 0 GIADLO CCn1cnc2c(c1=O)CC[N@H+]([C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000411666192 823596042 /nfs/dbraw/zinc/59/60/42/823596042.db2.gz MDJKQHDAIIVEPU-OAQYLSRUSA-N 1 2 379.891 4.064 20 0 GIADLO CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)Nc3c(C)cccc3C(C)C)CC2)[nH]1 ZINC000190671985 823597151 /nfs/dbraw/zinc/59/71/51/823597151.db2.gz LCFLJWYYCOIQPE-INIZCTEOSA-N 1 2 383.540 4.006 20 0 GIADLO CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3c(C)cccc3C(C)C)CC2)n1 ZINC000190671985 823597155 /nfs/dbraw/zinc/59/71/55/823597155.db2.gz LCFLJWYYCOIQPE-INIZCTEOSA-N 1 2 383.540 4.006 20 0 GIADLO CCc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3c(C)cccc3C(C)C)CC2)n[nH]1 ZINC000190671985 823597159 /nfs/dbraw/zinc/59/71/59/823597159.db2.gz LCFLJWYYCOIQPE-INIZCTEOSA-N 1 2 383.540 4.006 20 0 GIADLO O=C(c1ccccc1Oc1cccc(Br)c1)N1CCn2c[nH+]cc2C1 ZINC000461200822 823597427 /nfs/dbraw/zinc/59/74/27/823597427.db2.gz VROPXVKYKGKRLN-UHFFFAOYSA-N 1 2 398.260 4.094 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C(F)F)cc3)cc2)c1C ZINC000461208565 823598836 /nfs/dbraw/zinc/59/88/36/823598836.db2.gz KAKNMLBKKMITIT-UHFFFAOYSA-N 1 2 377.416 4.228 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C)cc3Cl)cc2)c1C ZINC000461208575 823598866 /nfs/dbraw/zinc/59/88/66/823598866.db2.gz KEABGRATHUXDRV-UHFFFAOYSA-N 1 2 375.881 4.252 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1)c1nc(-c2cccnc2)no1 ZINC000124480952 823600385 /nfs/dbraw/zinc/60/03/85/823600385.db2.gz VBVKIJDXAOMOPO-ZIAGYGMSSA-N 1 2 382.439 4.471 20 0 GIADLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411744001 823601687 /nfs/dbraw/zinc/60/16/87/823601687.db2.gz JTQANCWRHTUZHJ-AWEZNQCLSA-N 1 2 389.908 4.063 20 0 GIADLO CC1(C)[C@@H](O)CC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411744001 823601690 /nfs/dbraw/zinc/60/16/90/823601690.db2.gz JTQANCWRHTUZHJ-AWEZNQCLSA-N 1 2 389.908 4.063 20 0 GIADLO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000461266873 823609030 /nfs/dbraw/zinc/60/90/30/823609030.db2.gz XZLJZESABGGUPI-YJBOKZPZSA-N 1 2 393.453 4.238 20 0 GIADLO Cn1ncc2c1CCC[N@H+](Cc1coc(-c3ccc(C(F)(F)F)cc3)n1)C2 ZINC000411853918 823611054 /nfs/dbraw/zinc/61/10/54/823611054.db2.gz OFKKXIQXVCHDSK-UHFFFAOYSA-N 1 2 376.382 4.042 20 0 GIADLO Cn1ncc2c1CCC[N@@H+](Cc1coc(-c3ccc(C(F)(F)F)cc3)n1)C2 ZINC000411853918 823611059 /nfs/dbraw/zinc/61/10/59/823611059.db2.gz OFKKXIQXVCHDSK-UHFFFAOYSA-N 1 2 376.382 4.042 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)Cc3cc(C)cc(C)c3)cn2c1 ZINC000461287455 823612062 /nfs/dbraw/zinc/61/20/62/823612062.db2.gz XHYFKHTYCLXPLV-SFHVURJKSA-N 1 2 381.545 4.240 20 0 GIADLO C[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000411879984 823612275 /nfs/dbraw/zinc/61/22/75/823612275.db2.gz LYLSHNFCJNHYLZ-XHDPSFHLSA-N 1 2 384.332 4.464 20 0 GIADLO Cc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2OCCn2cc[nH+]c2)n1 ZINC000124663880 823615421 /nfs/dbraw/zinc/61/54/21/823615421.db2.gz OAJICRKHRKSKCB-HXUWFJFHSA-N 1 2 391.475 4.035 20 0 GIADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NOCc1ccccc1 ZINC000061939724 823618989 /nfs/dbraw/zinc/61/89/89/823618989.db2.gz HIDBLKWSTNEQIX-GOSISDBHSA-N 1 2 391.874 4.047 20 0 GIADLO OCC1([C@H]([NH2+]Cc2nc(Cc3ccccc3)no2)c2ccccc2)CCCCC1 ZINC000412005929 823621390 /nfs/dbraw/zinc/62/13/90/823621390.db2.gz GYIVSOPZDOUEAR-HSZRJFAPSA-N 1 2 391.515 4.434 20 0 GIADLO C[C@H](c1cccc(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)c1)[NH+]1CCOCC1 ZINC000412018908 823623068 /nfs/dbraw/zinc/62/30/68/823623068.db2.gz GNVWSMKBTOCALC-UZUQRXQVSA-N 1 2 394.515 4.308 20 0 GIADLO C[C@@H](c1cccc(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)c1)[NH+]1CCOCC1 ZINC000412018905 823623079 /nfs/dbraw/zinc/62/30/79/823623079.db2.gz GNVWSMKBTOCALC-GAJHUEQPSA-N 1 2 394.515 4.308 20 0 GIADLO COc1cc(Cl)c(F)c(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000412022589 823623224 /nfs/dbraw/zinc/62/32/24/823623224.db2.gz UXOYXWOQUYOWMN-ZDUSSCGKSA-N 1 2 392.858 4.133 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cs1)c1ccc(C)cc1C ZINC000412067673 823625603 /nfs/dbraw/zinc/62/56/03/823625603.db2.gz DWPLPKDTZFILNF-WMZOPIPTSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)cs1)c1ccc(C)cc1C ZINC000412067673 823625605 /nfs/dbraw/zinc/62/56/05/823625605.db2.gz DWPLPKDTZFILNF-WMZOPIPTSA-N 1 2 387.549 4.037 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412066608 823625618 /nfs/dbraw/zinc/62/56/18/823625618.db2.gz LRSDXMVZMSNZGP-MRXNPFEDSA-N 1 2 394.943 4.421 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412066608 823625622 /nfs/dbraw/zinc/62/56/22/823625622.db2.gz LRSDXMVZMSNZGP-MRXNPFEDSA-N 1 2 394.943 4.421 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000412122876 823628004 /nfs/dbraw/zinc/62/80/04/823628004.db2.gz IPVCLOCAPHKFFW-HXUWFJFHSA-N 1 2 394.515 4.111 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Nc2ccc(O)c(Cl)c2)C[C@@H](C)O1 ZINC000190943806 823628197 /nfs/dbraw/zinc/62/81/97/823628197.db2.gz RQDADMDPBHMKMI-ZIAGYGMSSA-N 1 2 389.883 4.299 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000412235177 823638291 /nfs/dbraw/zinc/63/82/91/823638291.db2.gz RMFBNAQVBYILNP-HOCLYGCPSA-N 1 2 376.850 4.412 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)CC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000412235177 823638294 /nfs/dbraw/zinc/63/82/94/823638294.db2.gz RMFBNAQVBYILNP-HOCLYGCPSA-N 1 2 376.850 4.412 20 0 GIADLO CC1(C)C[C@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc2O1 ZINC000412251005 823639956 /nfs/dbraw/zinc/63/99/56/823639956.db2.gz VGLCREBDKHRAEC-FQEVSTJZSA-N 1 2 381.520 4.247 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2O)C[C@@H]1n1cc[nH+]c1 ZINC000125184998 823657532 /nfs/dbraw/zinc/65/75/32/823657532.db2.gz ZTYRSUMNBYCVFL-AVRDEDQJSA-N 1 2 389.499 4.097 20 0 GIADLO CC[C@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)c1ccc(OC)cc1 ZINC000125194730 823658200 /nfs/dbraw/zinc/65/82/00/823658200.db2.gz AWZDJAZWTJHOLL-IBGZPJMESA-N 1 2 383.517 4.152 20 0 GIADLO Fc1cc(-c2ccncc2)ccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000125233110 823660854 /nfs/dbraw/zinc/66/08/54/823660854.db2.gz KKLLYWMILVAOAU-UHFFFAOYSA-N 1 2 377.463 4.332 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)NCc1ccccc1Oc1ccccc1 ZINC000063322521 823662480 /nfs/dbraw/zinc/66/24/80/823662480.db2.gz BKTJZOYILMLRMJ-UHFFFAOYSA-N 1 2 376.460 4.175 20 0 GIADLO Cc1ccc(C[NH2+]Cc2nccn2-c2ccccc2)c(OCC(F)(F)F)c1 ZINC000191305947 823669579 /nfs/dbraw/zinc/66/95/79/823669579.db2.gz KYIXPDDWIDCNFQ-UHFFFAOYSA-N 1 2 375.394 4.412 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000125418129 823674699 /nfs/dbraw/zinc/67/46/99/823674699.db2.gz MJBGZIVNRQQFJB-UZUQRXQVSA-N 1 2 397.482 4.217 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000125510986 823681716 /nfs/dbraw/zinc/68/17/16/823681716.db2.gz SFVISRBQLFUIBX-UHFFFAOYSA-N 1 2 385.855 4.278 20 0 GIADLO Cc1nc2cc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2n1-c1ccccc1 ZINC000125543454 823683986 /nfs/dbraw/zinc/68/39/86/823683986.db2.gz DXCVFQATRXOTAU-SBUREZEXSA-N 1 2 399.498 4.254 20 0 GIADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c1 ZINC000412900108 823690498 /nfs/dbraw/zinc/69/04/98/823690498.db2.gz OTUXNSUUXGWXHP-GOSISDBHSA-N 1 2 397.519 4.155 20 0 GIADLO CCCC[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccccc1F ZINC000063755192 823693756 /nfs/dbraw/zinc/69/37/56/823693756.db2.gz YEFDWSRGCOTMTG-UHFFFAOYSA-N 1 2 397.494 4.193 20 0 GIADLO CCCC[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccccc1F ZINC000063755192 823693758 /nfs/dbraw/zinc/69/37/58/823693758.db2.gz YEFDWSRGCOTMTG-UHFFFAOYSA-N 1 2 397.494 4.193 20 0 GIADLO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000461773336 823693881 /nfs/dbraw/zinc/69/38/81/823693881.db2.gz DPKANFOHRKMPHP-HXUWFJFHSA-N 1 2 387.911 4.055 20 0 GIADLO C[C@H]([NH2+]Cc1c(C2CC2)nc2sccn12)c1nc(-c2cccc(F)c2)no1 ZINC000191533245 823696717 /nfs/dbraw/zinc/69/67/17/823696717.db2.gz QUPLEOHEGJDZLF-NSHDSACASA-N 1 2 383.452 4.313 20 0 GIADLO COc1ccc(-c2ccc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c(F)c2)cc1 ZINC000125708912 823698855 /nfs/dbraw/zinc/69/88/55/823698855.db2.gz HBGWVYIYWCBSMD-AOMKIAJQSA-N 1 2 393.462 4.421 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+][C@H]3CCN([C@H](C)c4ccccc4)C3)n2)c1 ZINC000191564277 823700349 /nfs/dbraw/zinc/70/03/49/823700349.db2.gz NDFYEAIMMDGGAS-QKLQHJQFSA-N 1 2 392.503 4.231 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc(Cl)cc3Cl)[nH+]cn2)C1 ZINC000413028630 823700535 /nfs/dbraw/zinc/70/05/35/823700535.db2.gz QCHHXBHHSXMFIS-XQQFMLRXSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc(Cl)cc3Cl)nc[nH+]2)C1 ZINC000413028630 823700539 /nfs/dbraw/zinc/70/05/39/823700539.db2.gz QCHHXBHHSXMFIS-XQQFMLRXSA-N 1 2 381.307 4.164 20 0 GIADLO Cc1ccnc(Oc2cc(NC(=O)N(C)CCCn3cc[nH+]c3)ccc2C)c1 ZINC000125725827 823700616 /nfs/dbraw/zinc/70/06/16/823700616.db2.gz XMMXSSJIZOBAAD-UHFFFAOYSA-N 1 2 379.464 4.241 20 0 GIADLO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191597172 823707386 /nfs/dbraw/zinc/70/73/86/823707386.db2.gz NLBLQLRUAMYSBT-SJORKVTESA-N 1 2 392.503 4.291 20 0 GIADLO COc1ccc(F)c2[nH]c(-c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)cc21 ZINC000574364719 823709361 /nfs/dbraw/zinc/70/93/61/823709361.db2.gz KSMZWZAZHOZEMI-UHFFFAOYSA-N 1 2 375.363 4.218 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413123849 823710857 /nfs/dbraw/zinc/71/08/57/823710857.db2.gz NKQWSHLDPSHVCM-RYUDHWBXSA-N 1 2 387.484 4.013 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413123849 823710865 /nfs/dbraw/zinc/71/08/65/823710865.db2.gz NKQWSHLDPSHVCM-RYUDHWBXSA-N 1 2 387.484 4.013 20 0 GIADLO CCc1c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1cccc(Cl)c1 ZINC000125789151 823711190 /nfs/dbraw/zinc/71/11/90/823711190.db2.gz MTROMYZUAWDCMN-FOIQADDNSA-N 1 2 397.910 4.008 20 0 GIADLO CCc1c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1ccccc1C ZINC000191638798 823721616 /nfs/dbraw/zinc/72/16/16/823721616.db2.gz QIFSGSADQKVTLX-UWJYYQICSA-N 1 2 392.507 4.055 20 0 GIADLO COC(=O)[C@H](N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)c1ccsc1 ZINC000574416412 823723948 /nfs/dbraw/zinc/72/39/48/823723948.db2.gz OTYHKBNBZNONAN-OTWHNJEPSA-N 1 2 394.487 4.054 20 0 GIADLO COC(=O)[C@H](N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)c1ccsc1 ZINC000574416412 823723953 /nfs/dbraw/zinc/72/39/53/823723953.db2.gz OTYHKBNBZNONAN-OTWHNJEPSA-N 1 2 394.487 4.054 20 0 GIADLO C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(Br)cc1F ZINC000125842717 823726212 /nfs/dbraw/zinc/72/62/12/823726212.db2.gz UEMGDGLWUBYYRX-GFCCVEGCSA-N 1 2 375.245 4.020 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000413219691 823731544 /nfs/dbraw/zinc/73/15/44/823731544.db2.gz MVJDQPASUPUEEB-CQSZACIVSA-N 1 2 398.308 4.308 20 0 GIADLO CC(C)c1c(NC(=O)NCCCn2cc[nH+]c2)cnn1-c1ccccc1Cl ZINC000191686660 823734112 /nfs/dbraw/zinc/73/41/12/823734112.db2.gz DZJHQXQLCQSUCP-UHFFFAOYSA-N 1 2 386.887 4.057 20 0 GIADLO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000461895241 823742253 /nfs/dbraw/zinc/74/22/53/823742253.db2.gz OSSLZMRZJGEJMZ-NRFANRHFSA-N 1 2 397.906 4.305 20 0 GIADLO COc1cccc2c(NCC3CC[NH+](CCC(C)C)CC3)c(C(=O)[O-])c[nH+]c12 ZINC000574522157 823754402 /nfs/dbraw/zinc/75/44/02/823754402.db2.gz QCYGOUDKRJICSK-UHFFFAOYSA-N 1 2 385.508 4.112 20 0 GIADLO CCN(C(=O)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1)c1ccccc1 ZINC000125971494 823756543 /nfs/dbraw/zinc/75/65/43/823756543.db2.gz OODKWPRTYIZWJG-XMMPIXPASA-N 1 2 398.510 4.305 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cc(F)ccc1OCC1CC1 ZINC000191767579 823761236 /nfs/dbraw/zinc/76/12/36/823761236.db2.gz NYONLJKAVRNROX-UHFFFAOYSA-N 1 2 394.450 4.181 20 0 GIADLO COC(=O)c1ccc(C[NH2+]Cc2ccc(Sc3ccccn3)o2)nc1C1CC1 ZINC000574553726 823763677 /nfs/dbraw/zinc/76/36/77/823763677.db2.gz MQZCSQVLCNBRBM-UHFFFAOYSA-N 1 2 395.484 4.175 20 0 GIADLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126017878 823767326 /nfs/dbraw/zinc/76/73/26/823767326.db2.gz MSDIBAMIVAJKOL-XXBNENTESA-N 1 2 390.531 4.043 20 0 GIADLO CCn1nc(C)c(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1C ZINC000574569250 823769545 /nfs/dbraw/zinc/76/95/45/823769545.db2.gz SPOYNYUARDIAQN-UHFFFAOYSA-N 1 2 392.507 4.041 20 0 GIADLO CN(C(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1)C1CCCCC1 ZINC000126044101 823773896 /nfs/dbraw/zinc/77/38/96/823773896.db2.gz RLYNLVYQYGYGHZ-QHCPKHFHSA-N 1 2 390.531 4.043 20 0 GIADLO Clc1nc(Sc2ccccc2)sc1C[NH+]1CCC2(CC1)OCCO2 ZINC000126054484 823776345 /nfs/dbraw/zinc/77/63/45/823776345.db2.gz GYQBSPJKRUNFBJ-UHFFFAOYSA-N 1 2 382.938 4.287 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000574599852 823776611 /nfs/dbraw/zinc/77/66/11/823776611.db2.gz BJPRYUIUACGDAQ-DUXKGJEZSA-N 1 2 399.560 4.057 20 0 GIADLO OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2Br)CC[C@@H]1C(F)(F)F ZINC000574606938 823778562 /nfs/dbraw/zinc/77/85/62/823778562.db2.gz QBNFDRIPXYXMGQ-PWSUYJOCSA-N 1 2 386.639 4.095 20 0 GIADLO OC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2Br)CC[C@@H]1C(F)(F)F ZINC000574606938 823778566 /nfs/dbraw/zinc/77/85/66/823778566.db2.gz QBNFDRIPXYXMGQ-PWSUYJOCSA-N 1 2 386.639 4.095 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000126089826 823784229 /nfs/dbraw/zinc/78/42/29/823784229.db2.gz XYKFAKOVRHUGQO-UHFFFAOYSA-N 1 2 379.287 4.386 20 0 GIADLO CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000126096779 823786542 /nfs/dbraw/zinc/78/65/42/823786542.db2.gz DTMLILZBLHXDEH-RHSMWYFYSA-N 1 2 391.899 4.057 20 0 GIADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)c2nnnn2C2CC2)cc1 ZINC000191828573 823787469 /nfs/dbraw/zinc/78/74/69/823787469.db2.gz ZTJURGHPKRIJPC-QGZVFWFLSA-N 1 2 399.502 4.020 20 0 GIADLO Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461995968 823787827 /nfs/dbraw/zinc/78/78/27/823787827.db2.gz OWFJNRRTVHJHAF-IBGZPJMESA-N 1 2 377.513 4.009 20 0 GIADLO Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000461995968 823787837 /nfs/dbraw/zinc/78/78/37/823787837.db2.gz OWFJNRRTVHJHAF-IBGZPJMESA-N 1 2 377.513 4.009 20 0 GIADLO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000462020351 823797327 /nfs/dbraw/zinc/79/73/27/823797327.db2.gz LAQBWIDVIYVIQC-JOCHJYFZSA-N 1 2 382.467 4.443 20 0 GIADLO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000462020351 823797332 /nfs/dbraw/zinc/79/73/32/823797332.db2.gz LAQBWIDVIYVIQC-JOCHJYFZSA-N 1 2 382.467 4.443 20 0 GIADLO CC[C@@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)CC(F)(F)F ZINC000413566190 823797785 /nfs/dbraw/zinc/79/77/85/823797785.db2.gz IQNAPAAPTGLKAA-GFCCVEGCSA-N 1 2 388.821 4.304 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(NC(C)=O)ccc1Cl ZINC000191867469 823799647 /nfs/dbraw/zinc/79/96/47/823799647.db2.gz HBNAATHMAFUURY-UHFFFAOYSA-N 1 2 391.903 4.001 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000126151107 823800373 /nfs/dbraw/zinc/80/03/73/823800373.db2.gz UPAPYKBGTQOBQI-UHFFFAOYSA-N 1 2 382.479 4.027 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000164602029 823811585 /nfs/dbraw/zinc/81/15/85/823811585.db2.gz FNJOPCBAFKSXKP-RTWAWAEBSA-N 1 2 379.504 4.076 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000126205026 823811754 /nfs/dbraw/zinc/81/17/54/823811754.db2.gz JDVLXAPMECJTST-UHFFFAOYSA-N 1 2 393.314 4.315 20 0 GIADLO CC(C)c1ccc([C@@H]2CCCN2c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)cc1 ZINC000574738218 823814404 /nfs/dbraw/zinc/81/44/04/823814404.db2.gz UPGNCGYIIVOYOA-UIFIKXQLSA-N 1 2 380.536 4.149 20 0 GIADLO CC(C)c1ccc([C@@H]2CCCN2c2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)cc1 ZINC000574738218 823814407 /nfs/dbraw/zinc/81/44/07/823814407.db2.gz UPGNCGYIIVOYOA-UIFIKXQLSA-N 1 2 380.536 4.149 20 0 GIADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc2c(c1)COC2 ZINC000064488411 823829138 /nfs/dbraw/zinc/82/91/38/823829138.db2.gz UMGYXLURDQLRDC-LJQANCHMSA-N 1 2 388.870 4.076 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1cc(Cl)ccc1Cl ZINC000126296784 823833284 /nfs/dbraw/zinc/83/32/84/823833284.db2.gz HARFFCMPXBGGGD-UHFFFAOYSA-N 1 2 393.314 4.315 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C(C)(C)c1ccccc1Cl ZINC000126335681 823842793 /nfs/dbraw/zinc/84/27/93/823842793.db2.gz OYABGVTWZPXVTG-UHFFFAOYSA-N 1 2 386.923 4.397 20 0 GIADLO Brc1ccc(-c2nnc(C[NH2+][C@@H](c3cccnc3)C3CCC3)[nH]2)cc1 ZINC000574858205 823845362 /nfs/dbraw/zinc/84/53/62/823845362.db2.gz QWPDMPCLROTAMJ-GOSISDBHSA-N 1 2 398.308 4.260 20 0 GIADLO Clc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2nc(CCc3ccccc3)no2)cc1 ZINC000192055436 823845669 /nfs/dbraw/zinc/84/56/69/823845669.db2.gz RUAZXAXXCHDIDW-WIYYLYMNSA-N 1 2 383.879 4.128 20 0 GIADLO CSc1ccc(Cl)cc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000064563338 823846810 /nfs/dbraw/zinc/84/68/10/823846810.db2.gz ZKMHZDVMHWVUCQ-UHFFFAOYSA-N 1 2 381.954 4.473 20 0 GIADLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000192072711 823850915 /nfs/dbraw/zinc/85/09/15/823850915.db2.gz CWNSUJNRDWNYCH-GFCCVEGCSA-N 1 2 396.322 4.057 20 0 GIADLO Cn1c[nH+]cc1CNC(=O)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000462167538 823851373 /nfs/dbraw/zinc/85/13/73/823851373.db2.gz WCWPJSHAPUOWTL-KRWDZBQOSA-N 1 2 380.414 4.266 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+](C)C[C@H]2CCCOC2)cs1 ZINC000165743967 823861652 /nfs/dbraw/zinc/86/16/52/823861652.db2.gz XHKLATJGNLMMOV-QGZVFWFLSA-N 1 2 387.549 4.249 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+](C)C[C@H]2CCCOC2)cs1 ZINC000165743967 823861659 /nfs/dbraw/zinc/86/16/59/823861659.db2.gz XHKLATJGNLMMOV-QGZVFWFLSA-N 1 2 387.549 4.249 20 0 GIADLO COCC1CC[NH+](Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)CC1 ZINC000165839064 823864043 /nfs/dbraw/zinc/86/40/43/823864043.db2.gz RBBZHOSAMCJXSA-UHFFFAOYSA-N 1 2 393.940 4.340 20 0 GIADLO COC[C@@H]1CCC[N@H+](Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)C1 ZINC000165851556 823864352 /nfs/dbraw/zinc/86/43/52/823864352.db2.gz NGZYGCQURZBKTI-OAHLLOKOSA-N 1 2 393.940 4.340 20 0 GIADLO COC[C@@H]1CCC[N@@H+](Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)C1 ZINC000165851556 823864359 /nfs/dbraw/zinc/86/43/59/823864359.db2.gz NGZYGCQURZBKTI-OAHLLOKOSA-N 1 2 393.940 4.340 20 0 GIADLO COC[C@H]1CCC[N@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)C1 ZINC000165852230 823864852 /nfs/dbraw/zinc/86/48/52/823864852.db2.gz GQZUWCFEXKLLSS-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO COC[C@H]1CCC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)C1 ZINC000165852230 823864859 /nfs/dbraw/zinc/86/48/59/823864859.db2.gz GQZUWCFEXKLLSS-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO CC(C)[C@@H]1C[C@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCO1 ZINC000574959467 823871648 /nfs/dbraw/zinc/87/16/48/823871648.db2.gz OZFGEBFKXBKSFG-UTKZUKDTSA-N 1 2 394.519 4.175 20 0 GIADLO Cc1cccc([C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccccn2)c1 ZINC000126457244 823872466 /nfs/dbraw/zinc/87/24/66/823872466.db2.gz QPLNUTRPTBMOPT-HSZRJFAPSA-N 1 2 397.482 4.165 20 0 GIADLO Cc1cccc(F)c1-n1nc(C(=O)Nc2cccc3c2C[N@H+](C)C3)c2c1CCC2 ZINC000574980706 823878894 /nfs/dbraw/zinc/87/88/94/823878894.db2.gz IOOLPSCCZLAZRS-UHFFFAOYSA-N 1 2 390.462 4.006 20 0 GIADLO Cc1cccc(F)c1-n1nc(C(=O)Nc2cccc3c2C[N@@H+](C)C3)c2c1CCC2 ZINC000574980706 823878900 /nfs/dbraw/zinc/87/89/00/823878900.db2.gz IOOLPSCCZLAZRS-UHFFFAOYSA-N 1 2 390.462 4.006 20 0 GIADLO Cc1c2ccccc2[nH+]c(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C(=O)[O-] ZINC000574991819 823881097 /nfs/dbraw/zinc/88/10/97/823881097.db2.gz KCXQBNZXWBEABA-QRWLVFNGSA-N 1 2 395.528 4.220 20 0 GIADLO Cc1c2ccccc2[nH+]c(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C(=O)[O-] ZINC000574991819 823881106 /nfs/dbraw/zinc/88/11/06/823881106.db2.gz KCXQBNZXWBEABA-QRWLVFNGSA-N 1 2 395.528 4.220 20 0 GIADLO Fc1cc(Br)cc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000462229414 823883656 /nfs/dbraw/zinc/88/36/56/823883656.db2.gz DJGDZIIMHUSFQG-UHFFFAOYSA-N 1 2 380.261 4.228 20 0 GIADLO CCc1ccc(-c2nc(CC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cs2)cc1 ZINC000126506814 823886511 /nfs/dbraw/zinc/88/65/11/823886511.db2.gz GYNCTLVGFDLQEP-OXJNMPFZSA-N 1 2 394.544 4.221 20 0 GIADLO CC(=O)Nc1nc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)cs1 ZINC000064805581 823888751 /nfs/dbraw/zinc/88/87/51/823888751.db2.gz JWRHOMGQVXDFSE-UHFFFAOYSA-N 1 2 387.505 4.165 20 0 GIADLO CC(=O)Nc1nc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)cs1 ZINC000064805581 823888753 /nfs/dbraw/zinc/88/87/53/823888753.db2.gz JWRHOMGQVXDFSE-UHFFFAOYSA-N 1 2 387.505 4.165 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cnn1-c1ccc(F)cc1 ZINC000167950137 823898858 /nfs/dbraw/zinc/89/88/58/823898858.db2.gz FSOWAYXKDBACHN-IFXJQAMLSA-N 1 2 382.487 4.220 20 0 GIADLO COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414065608 823899694 /nfs/dbraw/zinc/89/96/94/823899694.db2.gz GCIVOUFWAFVYNR-OLZOCXBDSA-N 1 2 380.535 4.080 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)s1 ZINC000414068905 823900913 /nfs/dbraw/zinc/90/09/13/823900913.db2.gz IVJVEKJFOGYFHR-CQSZACIVSA-N 1 2 394.496 4.382 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC(C)C)c(OC)c2)s1 ZINC000414085102 823905369 /nfs/dbraw/zinc/90/53/69/823905369.db2.gz YLGYDGOJNXSKAR-KBPBESRZSA-N 1 2 392.521 4.385 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)s2)s1 ZINC000414094538 823907983 /nfs/dbraw/zinc/90/79/83/823907983.db2.gz GIKMHNPCRCWAKJ-HTQZYQBOSA-N 1 2 375.313 4.166 20 0 GIADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000575092797 823910046 /nfs/dbraw/zinc/91/00/46/823910046.db2.gz BRPZPJPJVGKDNC-CQSZACIVSA-N 1 2 387.896 4.240 20 0 GIADLO O=C(NCCCCc1ccc(F)c(F)c1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000575102726 823912769 /nfs/dbraw/zinc/91/27/69/823912769.db2.gz PFDPWNITFQMUAU-UHFFFAOYSA-N 1 2 398.457 4.032 20 0 GIADLO Cc1c(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cnn1CCC(C)C ZINC000462292810 823914416 /nfs/dbraw/zinc/91/44/16/823914416.db2.gz XRKIQLHTLXIJJF-INIZCTEOSA-N 1 2 389.569 4.210 20 0 GIADLO CCOc1ccccc1[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462294902 823914659 /nfs/dbraw/zinc/91/46/59/823914659.db2.gz JYUAIZAVSLKBOF-IAGOWNOFSA-N 1 2 387.549 4.296 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000192248495 823915949 /nfs/dbraw/zinc/91/59/49/823915949.db2.gz BDHCQIMMFNAUBK-UHFFFAOYSA-N 1 2 399.926 4.052 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(-c2ccccc2C)n1 ZINC000192253132 823917467 /nfs/dbraw/zinc/91/74/67/823917467.db2.gz YPOWMDUMRGMKPC-UHFFFAOYSA-N 1 2 382.533 4.430 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000192255229 823918574 /nfs/dbraw/zinc/91/85/74/823918574.db2.gz SKXSABVKJMUJSL-INIZCTEOSA-N 1 2 377.916 4.113 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000192256607 823919007 /nfs/dbraw/zinc/91/90/07/823919007.db2.gz HEEPODWLXLDZCU-UHFFFAOYSA-N 1 2 397.350 4.417 20 0 GIADLO CCc1nc2cc(C[NH2+][C@@H](C)c3ncc(C(=O)OC)s3)ccc2n1C1CC1 ZINC000414158853 823920117 /nfs/dbraw/zinc/92/01/17/823920117.db2.gz XWURLKWFEMMIQR-LBPRGKRZSA-N 1 2 384.505 4.028 20 0 GIADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)Cc1csc(Br)c1 ZINC000064994099 823922156 /nfs/dbraw/zinc/92/21/56/823922156.db2.gz SDNVVJJSVQGNRG-GFCCVEGCSA-N 1 2 399.329 4.301 20 0 GIADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)Cc1csc(Br)c1 ZINC000064994099 823922161 /nfs/dbraw/zinc/92/21/61/823922161.db2.gz SDNVVJJSVQGNRG-GFCCVEGCSA-N 1 2 399.329 4.301 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](Oc1ccc(Cl)cc1)C(C)C ZINC000462318771 823922856 /nfs/dbraw/zinc/92/28/56/823922856.db2.gz WZMUNKPRTLPFQK-FQEVSTJZSA-N 1 2 391.943 4.441 20 0 GIADLO Cc1ccc(-c2nnc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)s2)c(C)c1 ZINC000065122669 823947573 /nfs/dbraw/zinc/94/75/73/823947573.db2.gz QTIDUGGZAVIOLL-UHFFFAOYSA-N 1 2 389.484 4.319 20 0 GIADLO O=C(NCCCCCc1ccc(F)cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000575240016 823949784 /nfs/dbraw/zinc/94/97/84/823949784.db2.gz GJMNTFGCWPYZQA-UHFFFAOYSA-N 1 2 394.494 4.283 20 0 GIADLO Cc1ccc([C@@H](NCc2c[nH+]c(N(C)C)n2C)c2ccc(F)cc2Cl)cc1 ZINC000414330791 823959815 /nfs/dbraw/zinc/95/98/15/823959815.db2.gz FAOYIMNDGIOHGI-HXUWFJFHSA-N 1 2 386.902 4.466 20 0 GIADLO CCc1cnccc1[C@H](C)[NH2+]Cc1c(Br)cncc1Br ZINC000414361777 823965556 /nfs/dbraw/zinc/96/55/56/823965556.db2.gz CUECVYKCMFZPFH-JTQLQIEISA-N 1 2 399.130 4.415 20 0 GIADLO CCN(CC)c1ccc(C[NH2+][C@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)cn1 ZINC000126849371 823965965 /nfs/dbraw/zinc/96/59/65/823965965.db2.gz BGCIMKNQQQSELA-OAHLLOKOSA-N 1 2 398.942 4.321 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCSC2(CCC2)CC1 ZINC000414396986 823971834 /nfs/dbraw/zinc/97/18/34/823971834.db2.gz HGRLPKRLWKAAGT-UHFFFAOYSA-N 1 2 380.583 4.023 20 0 GIADLO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414435286 823985591 /nfs/dbraw/zinc/98/55/91/823985591.db2.gz FEEXNCNLLHJHTM-GFCCVEGCSA-N 1 2 391.480 4.233 20 0 GIADLO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414435286 823985593 /nfs/dbraw/zinc/98/55/93/823985593.db2.gz FEEXNCNLLHJHTM-GFCCVEGCSA-N 1 2 391.480 4.233 20 0 GIADLO CCc1ncc(CN(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)cn1 ZINC000414438470 823985966 /nfs/dbraw/zinc/98/59/66/823985966.db2.gz JIPZRWUVIZBTAY-UHFFFAOYSA-N 1 2 387.890 4.121 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc(C(F)(F)F)ccn2)CC1 ZINC000192426896 823988572 /nfs/dbraw/zinc/98/85/72/823988572.db2.gz CKRYFLNXLBFQOP-GFCCVEGCSA-N 1 2 384.427 4.073 20 0 GIADLO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2csc(C(C)(C)C)n2)c1 ZINC000414490422 823994018 /nfs/dbraw/zinc/99/40/18/823994018.db2.gz BKPOVGNFJPHGEI-UHFFFAOYSA-N 1 2 386.970 4.177 20 0 GIADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cnccc1C(C)(C)C ZINC000414492575 823994928 /nfs/dbraw/zinc/99/49/28/823994928.db2.gz ASRDFSBOFUAKID-UHFFFAOYSA-N 1 2 392.503 4.031 20 0 GIADLO C[N@@H+](Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)CC1CCCCC1 ZINC000170871140 823995657 /nfs/dbraw/zinc/99/56/57/823995657.db2.gz XLIAILSIMBJOKR-UHFFFAOYSA-N 1 2 378.563 4.226 20 0 GIADLO C[N@H+](Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)CC1CCCCC1 ZINC000170871140 823995659 /nfs/dbraw/zinc/99/56/59/823995659.db2.gz XLIAILSIMBJOKR-UHFFFAOYSA-N 1 2 378.563 4.226 20 0 GIADLO O=C(Nc1ccccc1)[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000127000902 823998333 /nfs/dbraw/zinc/99/83/33/823998333.db2.gz VKTCQAVEIZBHSS-XMMPIXPASA-N 1 2 396.494 4.401 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192460766 823998894 /nfs/dbraw/zinc/99/88/94/823998894.db2.gz GPBAJAPOEGNTMX-INIZCTEOSA-N 1 2 398.478 4.065 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cccc(SC)c3)CC2)c1 ZINC000170902694 824003108 /nfs/dbraw/zinc/00/31/08/824003108.db2.gz CHSDRCFZUXUUPV-MRXNPFEDSA-N 1 2 385.533 4.328 20 0 GIADLO O=C1CCCN1Cc1ccccc1C[NH2+]Cc1c(F)cccc1Br ZINC000192468580 824003134 /nfs/dbraw/zinc/00/31/34/824003134.db2.gz PDPZGXZVWYBYBD-UHFFFAOYSA-N 1 2 391.284 4.000 20 0 GIADLO Cc1oc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1C1CC1 ZINC000575841445 824009941 /nfs/dbraw/zinc/00/99/41/824009941.db2.gz QZHJEAGWCOYHPJ-DOTOQJQBSA-N 1 2 392.862 4.220 20 0 GIADLO Cc1oc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1C1CC1 ZINC000575841445 824009949 /nfs/dbraw/zinc/00/99/49/824009949.db2.gz QZHJEAGWCOYHPJ-DOTOQJQBSA-N 1 2 392.862 4.220 20 0 GIADLO FC(F)(F)c1cc(Br)ccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000414554286 824010859 /nfs/dbraw/zinc/01/08/59/824010859.db2.gz KBNPSPARQXUEAX-UHFFFAOYSA-N 1 2 392.244 4.487 20 0 GIADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000414561549 824013025 /nfs/dbraw/zinc/01/30/25/824013025.db2.gz ZIXZVWGRMVLUCQ-UHFFFAOYSA-N 1 2 387.940 4.220 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000127130619 824023210 /nfs/dbraw/zinc/02/32/10/824023210.db2.gz YRSXPROTECSNCA-MJGOQNOKSA-N 1 2 398.375 4.088 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000127130619 824023217 /nfs/dbraw/zinc/02/32/17/824023217.db2.gz YRSXPROTECSNCA-MJGOQNOKSA-N 1 2 398.375 4.088 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000127130428 824023262 /nfs/dbraw/zinc/02/32/62/824023262.db2.gz YRSXPROTECSNCA-HKUYNNGSSA-N 1 2 398.375 4.088 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000127130428 824023270 /nfs/dbraw/zinc/02/32/70/824023270.db2.gz YRSXPROTECSNCA-HKUYNNGSSA-N 1 2 398.375 4.088 20 0 GIADLO Cc1cc(C)c(NC(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)c(C)[nH+]1 ZINC000414784760 824036187 /nfs/dbraw/zinc/03/61/87/824036187.db2.gz LFKXPNQFQLQCOY-UHFFFAOYSA-N 1 2 382.414 4.212 20 0 GIADLO Cc1cc(C(C)(C)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1Br ZINC000575961033 824038840 /nfs/dbraw/zinc/03/88/40/824038840.db2.gz HNXOFHDEKVDRIO-UHFFFAOYSA-N 1 2 390.325 4.164 20 0 GIADLO Cc1cc(C(C)(C)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1Br ZINC000575961033 824038846 /nfs/dbraw/zinc/03/88/46/824038846.db2.gz HNXOFHDEKVDRIO-UHFFFAOYSA-N 1 2 390.325 4.164 20 0 GIADLO Brc1cc(CNc2ccc3c(c2)CCC[NH2+]3)cc2c1OCCO2 ZINC000414852819 824042210 /nfs/dbraw/zinc/04/22/10/824042210.db2.gz QQGHURXABYWKKU-UHFFFAOYSA-N 1 2 375.266 4.191 20 0 GIADLO CS[C@@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000414955018 824053773 /nfs/dbraw/zinc/05/37/73/824053773.db2.gz TXKIQPQOXVLNOQ-LLGFUMIMSA-N 1 2 384.545 4.339 20 0 GIADLO CS[C@@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000414955018 824053777 /nfs/dbraw/zinc/05/37/77/824053777.db2.gz TXKIQPQOXVLNOQ-LLGFUMIMSA-N 1 2 384.545 4.339 20 0 GIADLO CS[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000414955009 824053896 /nfs/dbraw/zinc/05/38/96/824053896.db2.gz TXKIQPQOXVLNOQ-FIKGOQFSSA-N 1 2 384.545 4.339 20 0 GIADLO Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(C)[nH+]1 ZINC000187342514 823046245 /nfs/dbraw/zinc/04/62/45/823046245.db2.gz CKEFVIHCCPWGNM-UHFFFAOYSA-N 1 2 377.473 4.286 20 0 GIADLO CCCCc1nnc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)s1 ZINC000120728600 823053570 /nfs/dbraw/zinc/05/35/70/823053570.db2.gz MFXAHDMJRHPMQP-WMZOPIPTSA-N 1 2 396.520 4.128 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2Br)cc1 ZINC000055897732 823063458 /nfs/dbraw/zinc/06/34/58/823063458.db2.gz XYQILCZLDUYJFJ-UHFFFAOYSA-N 1 2 380.282 4.107 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2Br)cc1 ZINC000055897732 823063465 /nfs/dbraw/zinc/06/34/65/823063465.db2.gz XYQILCZLDUYJFJ-UHFFFAOYSA-N 1 2 380.282 4.107 20 0 GIADLO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000175871221 823060274 /nfs/dbraw/zinc/06/02/74/823060274.db2.gz KNNGDOHJVGJKCF-UHFFFAOYSA-N 1 2 385.961 4.408 20 0 GIADLO COCc1nc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)cs1 ZINC000570608937 823061702 /nfs/dbraw/zinc/06/17/02/823061702.db2.gz OVRVHYDSEQSVSI-UHFFFAOYSA-N 1 2 396.541 4.494 20 0 GIADLO O=C(NC[C@H](c1ccccc1)C1CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000570626647 823064146 /nfs/dbraw/zinc/06/41/46/823064146.db2.gz BNLKWEKFUIWZOA-JOCHJYFZSA-N 1 2 392.547 4.302 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cs1)c1cccc(C)c1C ZINC000120803717 823067364 /nfs/dbraw/zinc/06/73/64/823067364.db2.gz JDDINMNMAVBMKI-AEFFLSMTSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cs1)c1cccc(C)c1C ZINC000120803717 823067370 /nfs/dbraw/zinc/06/73/70/823067370.db2.gz JDDINMNMAVBMKI-AEFFLSMTSA-N 1 2 387.549 4.037 20 0 GIADLO Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000187480884 823071934 /nfs/dbraw/zinc/07/19/34/823071934.db2.gz YVQNAIPYOWGZKF-UHFFFAOYSA-N 1 2 381.501 4.136 20 0 GIADLO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120849360 823076154 /nfs/dbraw/zinc/07/61/54/823076154.db2.gz JLKXTTSEOFWVFX-OALUTQOASA-N 1 2 398.551 4.070 20 0 GIADLO COCCc1ccc(Oc2ccc(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)cc2)cc1 ZINC000570725051 823076236 /nfs/dbraw/zinc/07/62/36/823076236.db2.gz MCXQXVHQCSTZFN-GOSISDBHSA-N 1 2 391.471 4.065 20 0 GIADLO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120917794 823086718 /nfs/dbraw/zinc/08/67/18/823086718.db2.gz KJCQTFBGIYUWCY-MRXNPFEDSA-N 1 2 385.876 4.152 20 0 GIADLO CC(C)Oc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cn1 ZINC000056162024 823093158 /nfs/dbraw/zinc/09/31/58/823093158.db2.gz ODDDETRGHGCWGB-JOCHJYFZSA-N 1 2 393.462 4.478 20 0 GIADLO C[C@H](c1ccccc1F)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176008583 823094595 /nfs/dbraw/zinc/09/45/95/823094595.db2.gz MTRZAANMJYAVPP-QGZVFWFLSA-N 1 2 398.526 4.263 20 0 GIADLO CSCc1ccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000176013201 823095746 /nfs/dbraw/zinc/09/57/46/823095746.db2.gz SYVGLKBTSSWUQV-UHFFFAOYSA-N 1 2 398.576 4.406 20 0 GIADLO Cc1ccc2oc(CN(Cc3ccco3)C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)cc2c1 ZINC000570860031 823097462 /nfs/dbraw/zinc/09/74/62/823097462.db2.gz ANXILQDXOHIVTI-INIZCTEOSA-N 1 2 377.444 4.465 20 0 GIADLO Cc1ccc2oc(CN(Cc3ccco3)C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)cc2c1 ZINC000570860031 823097470 /nfs/dbraw/zinc/09/74/70/823097470.db2.gz ANXILQDXOHIVTI-INIZCTEOSA-N 1 2 377.444 4.465 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc(-c3nc(C)co3)ccc2C)c1C ZINC000120990821 823098584 /nfs/dbraw/zinc/09/85/84/823098584.db2.gz DPTCUTDWYVHOEC-UHFFFAOYSA-N 1 2 380.448 4.301 20 0 GIADLO C[C@@H](CCCc1cccnc1)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458893131 823102603 /nfs/dbraw/zinc/10/26/03/823102603.db2.gz XEUZBPJSSYMPCL-INIZCTEOSA-N 1 2 397.910 4.131 20 0 GIADLO CCOc1cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)ccc1OCC(C)C ZINC000187655757 823106391 /nfs/dbraw/zinc/10/63/91/823106391.db2.gz CUBAXHFVDXDBKY-UHFFFAOYSA-N 1 2 387.442 4.464 20 0 GIADLO CC(C)c1scnc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000570976528 823114487 /nfs/dbraw/zinc/11/44/87/823114487.db2.gz VVHAPQSTQMVCKV-UHFFFAOYSA-N 1 2 377.941 4.268 20 0 GIADLO CC(C)c1scnc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000570976528 823114489 /nfs/dbraw/zinc/11/44/89/823114489.db2.gz VVHAPQSTQMVCKV-UHFFFAOYSA-N 1 2 377.941 4.268 20 0 GIADLO COc1ccc([C@@H]([NH2+]Cc2cc(C(N)=O)co2)c2ccc(Cl)cc2)cc1C ZINC000187723848 823120035 /nfs/dbraw/zinc/12/00/35/823120035.db2.gz SRHQFAMQUJMCTR-FQEVSTJZSA-N 1 2 384.863 4.228 20 0 GIADLO C[N@H+](C[C@@H]1CCOC1)Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S ZINC000176103729 823121761 /nfs/dbraw/zinc/12/17/61/823121761.db2.gz CGQHVLWSYXLRJE-HNNXBMFYSA-N 1 2 386.546 4.058 20 0 GIADLO C[N@@H+](C[C@@H]1CCOC1)Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S ZINC000176103729 823121763 /nfs/dbraw/zinc/12/17/63/823121763.db2.gz CGQHVLWSYXLRJE-HNNXBMFYSA-N 1 2 386.546 4.058 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccc(F)cc1OC1CCCC1 ZINC000121130546 823123647 /nfs/dbraw/zinc/12/36/47/823123647.db2.gz YODCFJVWFUDRQJ-UHFFFAOYSA-N 1 2 386.471 4.044 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000187753114 823125901 /nfs/dbraw/zinc/12/59/01/823125901.db2.gz IHFXCUYVPMVFRO-UHFFFAOYSA-N 1 2 398.934 4.442 20 0 GIADLO CCCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000459090442 823126609 /nfs/dbraw/zinc/12/66/09/823126609.db2.gz ZNGQRMASDVJNQF-GOSISDBHSA-N 1 2 382.508 4.037 20 0 GIADLO Clc1c(Br)cccc1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000411662968 823595677 /nfs/dbraw/zinc/59/56/77/823595677.db2.gz GYGDGVVXWJPCQK-HNNXBMFYSA-N 1 2 381.701 4.289 20 0 GIADLO O=C(Nc1ccc(F)cc1OC1CCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000121190373 823135263 /nfs/dbraw/zinc/13/52/63/823135263.db2.gz LOVPINPARJQJOC-UHFFFAOYSA-N 1 2 398.482 4.333 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000571099513 823132076 /nfs/dbraw/zinc/13/20/76/823132076.db2.gz YBTRYYBUHVPJQK-CQSZACIVSA-N 1 2 378.929 4.153 20 0 GIADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000571103291 823132687 /nfs/dbraw/zinc/13/26/87/823132687.db2.gz OWHWFRFRPPQAGM-MOPGFXCFSA-N 1 2 394.519 4.167 20 0 GIADLO CCOC(=O)c1c(C)c2ccccc2nc1C[NH2+]C(C)(C)c1c(C)noc1C ZINC000571112381 823133925 /nfs/dbraw/zinc/13/39/25/823133925.db2.gz WPZDZOPIZWBJIK-UHFFFAOYSA-N 1 2 381.476 4.350 20 0 GIADLO COc1ccc2cc([C@H](C)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC000121187471 823134584 /nfs/dbraw/zinc/13/45/84/823134584.db2.gz CHZRGGNZIWOTKV-KSFYIVLOSA-N 1 2 376.456 4.027 20 0 GIADLO Clc1cc(Br)cc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000411674712 823596294 /nfs/dbraw/zinc/59/62/94/823596294.db2.gz YXOFPZARDBMEPQ-QGZVFWFLSA-N 1 2 381.701 4.289 20 0 GIADLO Clc1cc(Br)cc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000411674712 823596297 /nfs/dbraw/zinc/59/62/97/823596297.db2.gz YXOFPZARDBMEPQ-QGZVFWFLSA-N 1 2 381.701 4.289 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2c(F)cccc2Cl)c1C ZINC000176155067 823138170 /nfs/dbraw/zinc/13/81/70/823138170.db2.gz JKFIETIRPCYJJR-ZDUSSCGKSA-N 1 2 379.863 4.402 20 0 GIADLO COc1cc(C[NH2+]Cc2noc3c2CCCC3)ccc1OCc1ccccc1 ZINC000571200202 823147442 /nfs/dbraw/zinc/14/74/42/823147442.db2.gz WWPRDCRMWWIIBO-UHFFFAOYSA-N 1 2 378.472 4.431 20 0 GIADLO CC(C)=CCOc1cccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000571246926 823154980 /nfs/dbraw/zinc/15/49/80/823154980.db2.gz UHHIKKLBLVURCG-UHFFFAOYSA-N 1 2 375.472 4.206 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H](c1ccco1)c1ccccc1 ZINC000121309771 823160454 /nfs/dbraw/zinc/16/04/54/823160454.db2.gz FLFYIPQPILFADW-JOCHJYFZSA-N 1 2 390.487 4.254 20 0 GIADLO COc1cc(C)ccc1Oc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1F ZINC000056529031 823162613 /nfs/dbraw/zinc/16/26/13/823162613.db2.gz NUQFGRAGRIGCJE-UHFFFAOYSA-N 1 2 398.438 4.343 20 0 GIADLO CC(C)c1nc([C@H]2CCC[N@H+](Cc3cccc(O)c3Br)C2)no1 ZINC000459331115 823162633 /nfs/dbraw/zinc/16/26/33/823162633.db2.gz UOCABWFEUJKOLU-ZDUSSCGKSA-N 1 2 380.286 4.041 20 0 GIADLO CC(C)c1nc([C@H]2CCC[N@@H+](Cc3cccc(O)c3Br)C2)no1 ZINC000459331115 823162637 /nfs/dbraw/zinc/16/26/37/823162637.db2.gz UOCABWFEUJKOLU-ZDUSSCGKSA-N 1 2 380.286 4.041 20 0 GIADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000571307902 823163256 /nfs/dbraw/zinc/16/32/56/823163256.db2.gz SPPMKGUKIJHQLJ-UHFFFAOYSA-N 1 2 377.506 4.109 20 0 GIADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000571307902 823163259 /nfs/dbraw/zinc/16/32/59/823163259.db2.gz SPPMKGUKIJHQLJ-UHFFFAOYSA-N 1 2 377.506 4.109 20 0 GIADLO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000571347374 823168683 /nfs/dbraw/zinc/16/86/83/823168683.db2.gz SWARDSWKJZJPNU-SNVBAGLBSA-N 1 2 380.204 4.010 20 0 GIADLO COC(=O)c1ccc(Br)cc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000571347374 823168685 /nfs/dbraw/zinc/16/86/85/823168685.db2.gz SWARDSWKJZJPNU-SNVBAGLBSA-N 1 2 380.204 4.010 20 0 GIADLO Cc1cc(C[NH2+]Cc2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)no1 ZINC000459366331 823173744 /nfs/dbraw/zinc/17/37/44/823173744.db2.gz BZVPCNZRMNQTJK-UHFFFAOYSA-N 1 2 393.487 4.379 20 0 GIADLO CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC000176291438 823173872 /nfs/dbraw/zinc/17/38/72/823173872.db2.gz IBFYSOIAXXMCIP-NSHDSACASA-N 1 2 376.869 4.250 20 0 GIADLO CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459381605 823178275 /nfs/dbraw/zinc/17/82/75/823178275.db2.gz RXOGUALIFOZJHX-UHFFFAOYSA-N 1 2 399.882 4.175 20 0 GIADLO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459381605 823178276 /nfs/dbraw/zinc/17/82/76/823178276.db2.gz RXOGUALIFOZJHX-UHFFFAOYSA-N 1 2 399.882 4.175 20 0 GIADLO COc1cccc([C@H]([NH2+]Cc2cnc(C3CC3)nc2)c2cc(F)ccc2OC)c1 ZINC000459421704 823188853 /nfs/dbraw/zinc/18/88/53/823188853.db2.gz HBRMOZRWNTVUET-QFIPXVFZSA-N 1 2 393.462 4.390 20 0 GIADLO CCC1(CC)Oc2ccc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2O1 ZINC000188129201 823191035 /nfs/dbraw/zinc/19/10/35/823191035.db2.gz KNVDNYHMYNEUCK-UHFFFAOYSA-N 1 2 396.491 4.291 20 0 GIADLO C[C@H](CNC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl)Cn1cc[nH+]c1 ZINC000176385583 823195614 /nfs/dbraw/zinc/19/56/14/823195614.db2.gz BDJPYSXBOMFSAL-OAHLLOKOSA-N 1 2 399.926 4.221 20 0 GIADLO COc1ccc2c(c1)c(C(=O)NCCc1c[nH+]cn1C)c(C)n2C1CCCCC1 ZINC000121481434 823192299 /nfs/dbraw/zinc/19/22/99/823192299.db2.gz WHIWYDQLAPJZBN-UHFFFAOYSA-N 1 2 394.519 4.170 20 0 GIADLO COCC[N@H+](Cc1cncs1)Cc1cc(Cl)cc(Br)c1 ZINC000459442066 823192624 /nfs/dbraw/zinc/19/26/24/823192624.db2.gz PLEVTYMZZDKTGP-UHFFFAOYSA-N 1 2 375.719 4.208 20 0 GIADLO COCC[N@@H+](Cc1cncs1)Cc1cc(Cl)cc(Br)c1 ZINC000459442066 823192629 /nfs/dbraw/zinc/19/26/29/823192629.db2.gz PLEVTYMZZDKTGP-UHFFFAOYSA-N 1 2 375.719 4.208 20 0 GIADLO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000571604026 823206590 /nfs/dbraw/zinc/20/65/90/823206590.db2.gz ZPVRHYGGSHPNKP-OAHLLOKOSA-N 1 2 398.894 4.313 20 0 GIADLO CCCCOc1ccccc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000056750175 823206645 /nfs/dbraw/zinc/20/66/45/823206645.db2.gz SPCULYOVZUIDHZ-UHFFFAOYSA-N 1 2 378.476 4.432 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459527731 823212208 /nfs/dbraw/zinc/21/22/08/823212208.db2.gz KJUNJQPALPRERL-HSZRJFAPSA-N 1 2 391.515 4.352 20 0 GIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2cccc(C3CC3)n2)c(C)c1 ZINC000571616267 823209759 /nfs/dbraw/zinc/20/97/59/823209759.db2.gz UCZBQRDPDXBCQB-HXUWFJFHSA-N 1 2 375.476 4.335 20 0 GIADLO CCOc1ccccc1Oc1ccccc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000176450893 823210275 /nfs/dbraw/zinc/21/02/75/823210275.db2.gz VLKYZNGWQOZKLT-QGZVFWFLSA-N 1 2 379.460 4.140 20 0 GIADLO C[C@H]1CCN(Cn2nc(NC3CCCCC3)sc2=S)C[C@@H]1n1cc[nH+]c1 ZINC000121594770 823213030 /nfs/dbraw/zinc/21/30/30/823213030.db2.gz AXSUTPDVZNTYND-HOCLYGCPSA-N 1 2 392.598 4.156 20 0 GIADLO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)[C@H]1Sc1ccccc1 ZINC000459533438 823213665 /nfs/dbraw/zinc/21/36/65/823213665.db2.gz VPRJEDPWRVWGGV-QMCVQRASSA-N 1 2 375.538 4.356 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000121607682 823215188 /nfs/dbraw/zinc/21/51/88/823215188.db2.gz JAITZWBNDXGANZ-CYBMUJFWSA-N 1 2 380.464 4.221 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1)Nc1c(Cl)cccc1Cl ZINC000121637087 823220330 /nfs/dbraw/zinc/22/03/30/823220330.db2.gz BGULCIPPZWMOOH-KRWDZBQOSA-N 1 2 395.286 4.101 20 0 GIADLO O=C(CC[N@H+]1CCO[C@H](c2cccc(O)c2)C1)Nc1c(Cl)cccc1Cl ZINC000121637087 823220334 /nfs/dbraw/zinc/22/03/34/823220334.db2.gz BGULCIPPZWMOOH-KRWDZBQOSA-N 1 2 395.286 4.101 20 0 GIADLO Cc1sc2nc([C@@H](C)[N@@H+]3CC[C@](C)(C(=O)OC(C)(C)C)C3)[nH]c(=O)c2c1C ZINC000459571818 823223067 /nfs/dbraw/zinc/22/30/67/823223067.db2.gz CZENRCNCMSKNMA-ODXCJYRJSA-N 1 2 391.537 4.128 20 0 GIADLO Cc1sc2nc([C@@H](C)[N@H+]3CC[C@](C)(C(=O)OC(C)(C)C)C3)[nH]c(=O)c2c1C ZINC000459571818 823223069 /nfs/dbraw/zinc/22/30/69/823223069.db2.gz CZENRCNCMSKNMA-ODXCJYRJSA-N 1 2 391.537 4.128 20 0 GIADLO COc1ccc(-c2nc(C[S@@](=O)Cc3cn4cccc(C)c4[nH+]3)cs2)cc1 ZINC000176498809 823221976 /nfs/dbraw/zinc/22/19/76/823221976.db2.gz FSOVWBLLZWIIMB-MHZLTWQESA-N 1 2 397.525 4.224 20 0 GIADLO COc1ccc(-c2nc(C[S@](=O)Cc3cn4cccc(C)c4[nH+]3)cs2)cc1 ZINC000176498796 823222068 /nfs/dbraw/zinc/22/20/68/823222068.db2.gz FSOVWBLLZWIIMB-HHHXNRCGSA-N 1 2 397.525 4.224 20 0 GIADLO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)ccc1O ZINC000459580925 823225214 /nfs/dbraw/zinc/22/52/14/823225214.db2.gz BTETWNPIXQTASQ-MRXNPFEDSA-N 1 2 377.282 4.286 20 0 GIADLO CCOc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)ccc1O ZINC000459580925 823225220 /nfs/dbraw/zinc/22/52/20/823225220.db2.gz BTETWNPIXQTASQ-MRXNPFEDSA-N 1 2 377.282 4.286 20 0 GIADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000459591747 823226276 /nfs/dbraw/zinc/22/62/76/823226276.db2.gz LJJPXIZMXWRUPU-UHFFFAOYSA-N 1 2 394.306 4.435 20 0 GIADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000459591747 823226278 /nfs/dbraw/zinc/22/62/78/823226278.db2.gz LJJPXIZMXWRUPU-UHFFFAOYSA-N 1 2 394.306 4.435 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000056878968 823227197 /nfs/dbraw/zinc/22/71/97/823227197.db2.gz DBPVDYOMAQTHPD-HNNXBMFYSA-N 1 2 384.867 4.326 20 0 GIADLO Cc1cccn2cc(C[S@](=O)Cc3ncc(-c4ccccc4Cl)o3)[nH+]c12 ZINC000176533707 823231320 /nfs/dbraw/zinc/23/13/20/823231320.db2.gz WHMQBZONJNCOAB-SANMLTNESA-N 1 2 385.876 4.400 20 0 GIADLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2cccc3ccccc32)n1 ZINC000121727494 823238436 /nfs/dbraw/zinc/23/84/36/823238436.db2.gz IDNITNGDLDRMKY-OAHLLOKOSA-N 1 2 398.532 4.498 20 0 GIADLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2cccc3ccccc32)n1 ZINC000121727494 823238441 /nfs/dbraw/zinc/23/84/41/823238441.db2.gz IDNITNGDLDRMKY-OAHLLOKOSA-N 1 2 398.532 4.498 20 0 GIADLO Fc1ccc(OCCCc2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)cc1 ZINC000571812160 823238535 /nfs/dbraw/zinc/23/85/35/823238535.db2.gz DIKRZHVDMMSLAJ-UHFFFAOYSA-N 1 2 392.434 4.056 20 0 GIADLO COc1ccc2c(c1)CCC[C@H]2CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000057041481 823242520 /nfs/dbraw/zinc/24/25/20/823242520.db2.gz GMYVCQZODUUNQW-NRFANRHFSA-N 1 2 389.499 4.066 20 0 GIADLO C[N@H+](Cn1nc(C2CC2)n(Cc2ccccc2)c1=S)C1Cc2ccccc2C1 ZINC000057104274 823249813 /nfs/dbraw/zinc/24/98/13/823249813.db2.gz ISTUZLOTHOJWEW-UHFFFAOYSA-N 1 2 390.556 4.396 20 0 GIADLO C[N@@H+](Cn1nc(C2CC2)n(Cc2ccccc2)c1=S)C1Cc2ccccc2C1 ZINC000057104274 823249817 /nfs/dbraw/zinc/24/98/17/823249817.db2.gz ISTUZLOTHOJWEW-UHFFFAOYSA-N 1 2 390.556 4.396 20 0 GIADLO NC(=O)c1coc(C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)c1 ZINC000188493551 823250247 /nfs/dbraw/zinc/25/02/47/823250247.db2.gz CKVQAUIWVCUQGT-HNNXBMFYSA-N 1 2 383.673 4.035 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000121799083 823253743 /nfs/dbraw/zinc/25/37/43/823253743.db2.gz DKFFSORBZVRNDE-IBGZPJMESA-N 1 2 384.911 4.382 20 0 GIADLO COc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)ccc1OCc1ccc(F)cc1 ZINC000459705670 823254255 /nfs/dbraw/zinc/25/42/55/823254255.db2.gz MVZNQJFRVZFANX-UHFFFAOYSA-N 1 2 398.482 4.119 20 0 GIADLO COc1cc(CNc2ccc(-n3cc[nH+]c3)cc2)ccc1OCc1ccncc1 ZINC000121844903 823261808 /nfs/dbraw/zinc/26/18/08/823261808.db2.gz CPXPHJDXGNMFMN-UHFFFAOYSA-N 1 2 386.455 4.467 20 0 GIADLO O=C(CSc1ccccc1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000003524252 817478590 /nfs/dbraw/zinc/47/85/90/817478590.db2.gz UYYVMJYYOUOKLD-UHFFFAOYSA-N 1 2 395.553 4.432 20 0 GIADLO O=C(CSc1ccccc1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000003524252 817478595 /nfs/dbraw/zinc/47/85/95/817478595.db2.gz UYYVMJYYOUOKLD-UHFFFAOYSA-N 1 2 395.553 4.432 20 0 GIADLO Cc1ccc(NC(=O)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(C)c1 ZINC000188589200 823267683 /nfs/dbraw/zinc/26/76/83/823267683.db2.gz XTRRGEMTKWBYKD-UHFFFAOYSA-N 1 2 388.471 4.080 20 0 GIADLO O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1)Nc1ccc(F)cc1Cl ZINC000121875364 823268074 /nfs/dbraw/zinc/26/80/74/823268074.db2.gz DEICZXDDIHAWIL-QAPCUYQASA-N 1 2 394.874 4.379 20 0 GIADLO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1)Nc1ccc(F)cc1Cl ZINC000121875364 823268077 /nfs/dbraw/zinc/26/80/77/823268077.db2.gz DEICZXDDIHAWIL-QAPCUYQASA-N 1 2 394.874 4.379 20 0 GIADLO Cc1cccnc1[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)C ZINC000572079320 823279376 /nfs/dbraw/zinc/27/93/76/823279376.db2.gz PDIHYICSDDFOSF-FQEVSTJZSA-N 1 2 395.551 4.209 20 0 GIADLO CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000572065947 823277080 /nfs/dbraw/zinc/27/70/80/823277080.db2.gz IQVURNSKWUPUJK-OAQYLSRUSA-N 1 2 397.906 4.305 20 0 GIADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+](C)Cc1cccc(F)c1 ZINC000007004324 817737921 /nfs/dbraw/zinc/73/79/21/817737921.db2.gz LJFODRKUASXAPQ-CHWSQXEVSA-N 1 2 385.508 4.442 20 0 GIADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+](C)Cc1cccc(F)c1 ZINC000007004324 817737927 /nfs/dbraw/zinc/73/79/27/817737927.db2.gz LJFODRKUASXAPQ-CHWSQXEVSA-N 1 2 385.508 4.442 20 0 GIADLO CCCCn1c2nn(C[NH+]3CCCCCCC3)c(=S)n2c2ccccc2c1=O ZINC000007075027 817753603 /nfs/dbraw/zinc/75/36/03/817753603.db2.gz SLITYHUNSGYCPB-UHFFFAOYSA-N 1 2 399.564 4.204 20 0 GIADLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409707974 823287533 /nfs/dbraw/zinc/28/75/33/823287533.db2.gz VQUOKJPVXXQHRZ-HOTGVXAUSA-N 1 2 391.437 4.109 20 0 GIADLO C[C@@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000057388225 823287810 /nfs/dbraw/zinc/28/78/10/823287810.db2.gz LWDAKTLPXIXRGK-HNNXBMFYSA-N 1 2 391.437 4.379 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N3CCC[C@@H]([C@H]4CCOC4)C3)c12 ZINC000409714772 823289206 /nfs/dbraw/zinc/28/92/06/823289206.db2.gz WURWGPTYLUSRNL-OLZOCXBDSA-N 1 2 379.273 4.389 20 0 GIADLO O=C(CSc1ccc2ccccc2c1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000409727220 823291824 /nfs/dbraw/zinc/29/18/24/823291824.db2.gz KCRHBZOHVVJDCQ-UHFFFAOYSA-N 1 2 392.524 4.403 20 0 GIADLO c1ccc(C2(c3noc(-c4cccc(C[NH+]5CCOCC5)c4)n3)CCC2)cc1 ZINC000460135573 823292661 /nfs/dbraw/zinc/29/26/61/823292661.db2.gz NBDCJPJZJZNACV-UHFFFAOYSA-N 1 2 375.472 4.039 20 0 GIADLO Cc1ccc(-c2nc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)cs2)cc1 ZINC000409735547 823295099 /nfs/dbraw/zinc/29/50/99/823295099.db2.gz XWGFVFLLXOAKFX-UHFFFAOYSA-N 1 2 393.512 4.203 20 0 GIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)C1(c2ccc(F)cc2)CCCC1 ZINC000409739589 823296268 /nfs/dbraw/zinc/29/62/68/823296268.db2.gz XXEHKLMLMATVIH-UHFFFAOYSA-N 1 2 382.479 4.108 20 0 GIADLO O=C(N[C@@H](Cc1ccccc1Cl)c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000460146902 823296912 /nfs/dbraw/zinc/29/69/12/823296912.db2.gz RVQRVMNTBPNQFU-FQEVSTJZSA-N 1 2 380.879 4.046 20 0 GIADLO C[C@@H](c1cccc(NC(=O)[C@H]2CCSc3ccccc32)c1)[NH+]1CCOCC1 ZINC000460166261 823303216 /nfs/dbraw/zinc/30/32/16/823303216.db2.gz DUTKFBNZHXWQSO-JXFKEZNVSA-N 1 2 382.529 4.298 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccccc1N1CCc2sccc2C1 ZINC000122073138 823301985 /nfs/dbraw/zinc/30/19/85/823301985.db2.gz JRVVLXLSUFLYFY-UHFFFAOYSA-N 1 2 395.532 4.061 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000007927241 817961497 /nfs/dbraw/zinc/96/14/97/817961497.db2.gz QPDMIZRWVVWDOS-IBGZPJMESA-N 1 2 386.561 4.493 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000007927241 817961503 /nfs/dbraw/zinc/96/15/03/817961503.db2.gz QPDMIZRWVVWDOS-IBGZPJMESA-N 1 2 386.561 4.493 20 0 GIADLO O=C1CCN1c1cccc(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000572201982 823299013 /nfs/dbraw/zinc/29/90/13/823299013.db2.gz IDAFBMKKUFDGBU-UHFFFAOYSA-N 1 2 383.904 4.490 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccccc2OC(F)F)s1 ZINC000122113310 823308198 /nfs/dbraw/zinc/30/81/98/823308198.db2.gz DJDQNKRDKORGNZ-LBPRGKRZSA-N 1 2 383.464 4.247 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccccc2OC(F)F)s1 ZINC000122113310 823308204 /nfs/dbraw/zinc/30/82/04/823308204.db2.gz DJDQNKRDKORGNZ-LBPRGKRZSA-N 1 2 383.464 4.247 20 0 GIADLO CC(C)[C@H](NC(=O)C[N@H+](C)Cc1ccc(Br)s1)c1ccccc1 ZINC000011282628 818068351 /nfs/dbraw/zinc/06/83/51/818068351.db2.gz XUANJTXNSYYCCT-SFHVURJKSA-N 1 2 395.366 4.456 20 0 GIADLO CC(C)[C@H](NC(=O)C[N@@H+](C)Cc1ccc(Br)s1)c1ccccc1 ZINC000011282628 818068358 /nfs/dbraw/zinc/06/83/58/818068358.db2.gz XUANJTXNSYYCCT-SFHVURJKSA-N 1 2 395.366 4.456 20 0 GIADLO Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3cc[nH+]c(C)c3)[C@@H]2c2cccs2)cc1 ZINC000011683353 818109397 /nfs/dbraw/zinc/10/93/97/818109397.db2.gz MSMNQINJTOHYAV-GHTZIAJQSA-N 1 2 391.496 4.493 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c1C ZINC000057619533 823315854 /nfs/dbraw/zinc/31/58/54/823315854.db2.gz ITOSQQHFBCQIAW-UHFFFAOYSA-N 1 2 380.492 4.147 20 0 GIADLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@@H]3c3cccn3C)n2)cc1 ZINC000057622890 823316068 /nfs/dbraw/zinc/31/60/68/823316068.db2.gz AYEIMXSHLYASHT-LJQANCHMSA-N 1 2 380.517 4.233 20 0 GIADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@@H]3c3cccn3C)n2)cc1 ZINC000057622890 823316076 /nfs/dbraw/zinc/31/60/76/823316076.db2.gz AYEIMXSHLYASHT-LJQANCHMSA-N 1 2 380.517 4.233 20 0 GIADLO C[C@H](CNC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21)Cn1cc[nH+]c1 ZINC000176896634 823319960 /nfs/dbraw/zinc/31/99/60/823319960.db2.gz GBFOVGKUJNQWMC-ZIAGYGMSSA-N 1 2 388.924 4.018 20 0 GIADLO C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2Br)C[C@H]1n1cc[nH+]c1 ZINC000409834567 823320275 /nfs/dbraw/zinc/32/02/75/823320275.db2.gz WQUJFFSUQWGUMU-WMLDXEAASA-N 1 2 390.325 4.033 20 0 GIADLO CC[C@@H](Oc1cccc(C)c1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176907821 823321618 /nfs/dbraw/zinc/32/16/18/823321618.db2.gz MLPUGRJNTSPAQQ-HSZRJFAPSA-N 1 2 395.547 4.004 20 0 GIADLO CCCCNc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1ccccc1OC ZINC000014282495 818232169 /nfs/dbraw/zinc/23/21/69/818232169.db2.gz BFNPGKPQWLFYFD-INIZCTEOSA-N 1 2 380.492 4.134 20 0 GIADLO COCc1nsc(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000176919968 823324229 /nfs/dbraw/zinc/32/42/29/823324229.db2.gz GDTDKIJOHOIVED-UHFFFAOYSA-N 1 2 391.500 4.208 20 0 GIADLO O=C(c1ccccc1)C1CC[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000014809170 818268839 /nfs/dbraw/zinc/26/88/39/818268839.db2.gz DKUGKDUYVVYBAE-UHFFFAOYSA-N 1 2 381.863 4.485 20 0 GIADLO Cc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014814970 818269457 /nfs/dbraw/zinc/26/94/57/818269457.db2.gz FQOKXDWGSBGXRO-UHFFFAOYSA-N 1 2 385.467 4.247 20 0 GIADLO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000015041617 818285984 /nfs/dbraw/zinc/28/59/84/818285984.db2.gz WQJIEIJDUHVNIO-UHFFFAOYSA-N 1 2 380.385 4.369 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000015109177 818290927 /nfs/dbraw/zinc/29/09/27/818290927.db2.gz HYNXAHLCGKURBJ-LBPRGKRZSA-N 1 2 397.338 4.287 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000015109177 818290933 /nfs/dbraw/zinc/29/09/33/818290933.db2.gz HYNXAHLCGKURBJ-LBPRGKRZSA-N 1 2 397.338 4.287 20 0 GIADLO c1cn(CCCNc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c[nH+]1 ZINC000015206506 818299770 /nfs/dbraw/zinc/29/97/70/818299770.db2.gz HIKKPPKOPNHTJE-UHFFFAOYSA-N 1 2 390.516 4.331 20 0 GIADLO COc1cc(-c2noc(C[N@H+](C)Cc3ccc(C)cc3)n2)ccc1OC(F)F ZINC000015298750 818309036 /nfs/dbraw/zinc/30/90/36/818309036.db2.gz JSZBGKWSNCPEOQ-UHFFFAOYSA-N 1 2 389.402 4.287 20 0 GIADLO COc1cc(-c2noc(C[N@@H+](C)Cc3ccc(C)cc3)n2)ccc1OC(F)F ZINC000015298750 818309043 /nfs/dbraw/zinc/30/90/43/818309043.db2.gz JSZBGKWSNCPEOQ-UHFFFAOYSA-N 1 2 389.402 4.287 20 0 GIADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000122280137 823331938 /nfs/dbraw/zinc/33/19/38/823331938.db2.gz GYQFXQPQVMANQO-UHFFFAOYSA-N 1 2 383.801 4.357 20 0 GIADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000122280137 823331941 /nfs/dbraw/zinc/33/19/41/823331941.db2.gz GYQFXQPQVMANQO-UHFFFAOYSA-N 1 2 383.801 4.357 20 0 GIADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccoc1C1CC1 ZINC000409860903 823328728 /nfs/dbraw/zinc/32/87/28/823328728.db2.gz VEAJNZUBNJOXKO-KKSFZXQISA-N 1 2 381.520 4.233 20 0 GIADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccoc1C1CC1 ZINC000409860903 823328734 /nfs/dbraw/zinc/32/87/34/823328734.db2.gz VEAJNZUBNJOXKO-KKSFZXQISA-N 1 2 381.520 4.233 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000015547322 818336418 /nfs/dbraw/zinc/33/64/18/818336418.db2.gz SSWOIJPJVZBNHM-IBGZPJMESA-N 1 2 394.544 4.499 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000015547322 818336424 /nfs/dbraw/zinc/33/64/24/818336424.db2.gz SSWOIJPJVZBNHM-IBGZPJMESA-N 1 2 394.544 4.499 20 0 GIADLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000016420785 818440459 /nfs/dbraw/zinc/44/04/59/818440459.db2.gz RIESCSICEUAYKK-QGZVFWFLSA-N 1 2 380.513 4.489 20 0 GIADLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000016420785 818440461 /nfs/dbraw/zinc/44/04/61/818440461.db2.gz RIESCSICEUAYKK-QGZVFWFLSA-N 1 2 380.513 4.489 20 0 GIADLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@H+](C)[C@@H](C)c1cccs1 ZINC000016434839 818441623 /nfs/dbraw/zinc/44/16/23/818441623.db2.gz TVVRNOVRMDCLGM-LBPRGKRZSA-N 1 2 380.535 4.180 20 0 GIADLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000016434839 818441629 /nfs/dbraw/zinc/44/16/29/818441629.db2.gz TVVRNOVRMDCLGM-LBPRGKRZSA-N 1 2 380.535 4.180 20 0 GIADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000122316023 823337054 /nfs/dbraw/zinc/33/70/54/823337054.db2.gz DBWFXEVRGBLVKB-OAHLLOKOSA-N 1 2 388.462 4.253 20 0 GIADLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1C ZINC000016624099 818460245 /nfs/dbraw/zinc/46/02/45/818460245.db2.gz VBEVFCJTGQGMKA-UHFFFAOYSA-N 1 2 396.409 4.142 20 0 GIADLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1C ZINC000016624099 818460248 /nfs/dbraw/zinc/46/02/48/818460248.db2.gz VBEVFCJTGQGMKA-UHFFFAOYSA-N 1 2 396.409 4.142 20 0 GIADLO Cc1sc2nc([C@H](C)[N@H+](C)CCOc3ccc(Cl)cc3)[nH]c(=O)c2c1C ZINC000016633017 818461243 /nfs/dbraw/zinc/46/12/43/818461243.db2.gz BGPUSUJKOSEENB-LBPRGKRZSA-N 1 2 391.924 4.327 20 0 GIADLO Cc1sc2nc([C@H](C)[N@@H+](C)CCOc3ccc(Cl)cc3)[nH]c(=O)c2c1C ZINC000016633017 818461249 /nfs/dbraw/zinc/46/12/49/818461249.db2.gz BGPUSUJKOSEENB-LBPRGKRZSA-N 1 2 391.924 4.327 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@@H]1CCCc2ccc(F)cc21 ZINC000572437965 823339053 /nfs/dbraw/zinc/33/90/53/823339053.db2.gz CWNNNRQUUZHOCN-LJQANCHMSA-N 1 2 394.450 4.300 20 0 GIADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cscc1Br ZINC000572444245 823340546 /nfs/dbraw/zinc/34/05/46/823340546.db2.gz MZJSOWVBLJOWPO-LBPRGKRZSA-N 1 2 377.311 4.284 20 0 GIADLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cscc1Br ZINC000572444245 823340556 /nfs/dbraw/zinc/34/05/56/823340556.db2.gz MZJSOWVBLJOWPO-LBPRGKRZSA-N 1 2 377.311 4.284 20 0 GIADLO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H](C)c3ccc(Cl)cc3)cs2)c1C ZINC000176985398 823342686 /nfs/dbraw/zinc/34/26/86/823342686.db2.gz QQHOFCAAZXLLSL-CYBMUJFWSA-N 1 2 388.924 4.025 20 0 GIADLO Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000572499444 823349851 /nfs/dbraw/zinc/34/98/51/823349851.db2.gz PLXCMOGQACPTCE-WBVHZDCISA-N 1 2 386.565 4.110 20 0 GIADLO Cc1c2cccc(Cl)c2oc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000018213898 818556839 /nfs/dbraw/zinc/55/68/39/818556839.db2.gz NMIPLTIMYACZOG-UHFFFAOYSA-N 1 2 398.890 4.157 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(Br)s1 ZINC000020814694 818632060 /nfs/dbraw/zinc/63/20/60/818632060.db2.gz OABRJVDMCCUFBM-UHFFFAOYSA-N 1 2 389.265 4.249 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(Br)s1 ZINC000020814694 818632065 /nfs/dbraw/zinc/63/20/65/818632065.db2.gz OABRJVDMCCUFBM-UHFFFAOYSA-N 1 2 389.265 4.249 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000189079237 823353542 /nfs/dbraw/zinc/35/35/42/823353542.db2.gz ZOKKLAJSHWXESF-ZUZCIYMTSA-N 1 2 399.239 4.039 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cnccc2Oc2ccccc2)CC1 ZINC000409957233 823353710 /nfs/dbraw/zinc/35/37/10/823353710.db2.gz KJUHLNLMYGTMGK-QGZVFWFLSA-N 1 2 393.512 4.454 20 0 GIADLO Cc1c2ccccc2[nH+]c(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C(=O)[O-] ZINC000572528087 823354478 /nfs/dbraw/zinc/35/44/78/823354478.db2.gz VZLMTRNBZNCRIB-MRXNPFEDSA-N 1 2 390.487 4.158 20 0 GIADLO CC(C)(C)[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000122487455 823361642 /nfs/dbraw/zinc/36/16/42/823361642.db2.gz SWOOWXGENBOUFD-FQEVSTJZSA-N 1 2 384.499 4.276 20 0 GIADLO Cc1cc2ccccc2n1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000022291963 818791384 /nfs/dbraw/zinc/79/13/84/818791384.db2.gz GODIMMNOJBARDI-UHFFFAOYSA-N 1 2 382.533 4.277 20 0 GIADLO CC(C)[C@@H]1C[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO1 ZINC000572596829 823367207 /nfs/dbraw/zinc/36/72/07/823367207.db2.gz LJKLYFLYHLZXES-UTKZUKDTSA-N 1 2 396.535 4.459 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3nc4ccccc4s3)CC2)cc1 ZINC000022421136 818804632 /nfs/dbraw/zinc/80/46/32/818804632.db2.gz JYHJFJANGPKFDO-UHFFFAOYSA-N 1 2 396.516 4.045 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000022432164 818806416 /nfs/dbraw/zinc/80/64/16/818806416.db2.gz KHTJRKGEUOAJPC-HSZRJFAPSA-N 1 2 393.531 4.064 20 0 GIADLO C[N@H+](CC1CCCC1)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000058207363 823368491 /nfs/dbraw/zinc/36/84/91/823368491.db2.gz OYAYTFUCHGLJTH-UHFFFAOYSA-N 1 2 385.459 4.118 20 0 GIADLO C[N@@H+](CC1CCCC1)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000058207363 823368505 /nfs/dbraw/zinc/36/85/05/823368505.db2.gz OYAYTFUCHGLJTH-UHFFFAOYSA-N 1 2 385.459 4.118 20 0 GIADLO CCCn1c(=S)n(C[N@H+](C)[C@@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000022758405 818856994 /nfs/dbraw/zinc/85/69/94/818856994.db2.gz MGIVAJGKWPOINU-LJQANCHMSA-N 1 2 379.533 4.463 20 0 GIADLO CCCn1c(=S)n(C[N@@H+](C)[C@@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000022758405 818857003 /nfs/dbraw/zinc/85/70/03/818857003.db2.gz MGIVAJGKWPOINU-LJQANCHMSA-N 1 2 379.533 4.463 20 0 GIADLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000022873515 818869105 /nfs/dbraw/zinc/86/91/05/818869105.db2.gz PKVWDKCDSGFCGI-UHFFFAOYSA-N 1 2 385.511 4.353 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccccc3OC(F)F)n2)C1 ZINC000023307324 818922762 /nfs/dbraw/zinc/92/27/62/818922762.db2.gz OMDNQQYYTKZPHL-GFCCVEGCSA-N 1 2 381.448 4.229 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccccc3OC(F)F)n2)C1 ZINC000023307324 818922770 /nfs/dbraw/zinc/92/27/70/818922770.db2.gz OMDNQQYYTKZPHL-GFCCVEGCSA-N 1 2 381.448 4.229 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000122568332 823374123 /nfs/dbraw/zinc/37/41/23/823374123.db2.gz RKPWBADPEVJKEC-IRXDYDNUSA-N 1 2 380.517 4.091 20 0 GIADLO COc1ccc(F)cc1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000189201843 823374806 /nfs/dbraw/zinc/37/48/06/823374806.db2.gz FCBGXQAOVOFHEV-UHFFFAOYSA-N 1 2 390.256 4.277 20 0 GIADLO COc1ccccc1[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1Cl ZINC000572647238 823375025 /nfs/dbraw/zinc/37/50/25/823375025.db2.gz GBJNWHNLAAZUCC-YCRPNKLZSA-N 1 2 395.890 4.013 20 0 GIADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000572657079 823376909 /nfs/dbraw/zinc/37/69/09/823376909.db2.gz UIQROHQBHXTGOP-KUHUBIRLSA-N 1 2 398.308 4.008 20 0 GIADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000572657079 823376915 /nfs/dbraw/zinc/37/69/15/823376915.db2.gz UIQROHQBHXTGOP-KUHUBIRLSA-N 1 2 398.308 4.008 20 0 GIADLO Cc1ccccc1-c1cc(NC(=O)CCc2c[nH]c[nH+]2)n(Cc2ccccc2)n1 ZINC000189217763 823377450 /nfs/dbraw/zinc/37/74/50/823377450.db2.gz NZEFBZQGHDQPOJ-UHFFFAOYSA-N 1 2 385.471 4.201 20 0 GIADLO Cc1ccccc1-c1cc(NC(=O)CCc2c[nH+]c[nH]2)n(Cc2ccccc2)n1 ZINC000189217763 823377457 /nfs/dbraw/zinc/37/74/57/823377457.db2.gz NZEFBZQGHDQPOJ-UHFFFAOYSA-N 1 2 385.471 4.201 20 0 GIADLO O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050834 819016469 /nfs/dbraw/zinc/01/64/69/819016469.db2.gz KJMZIHAWPQJHGG-UHFFFAOYSA-N 1 2 389.484 4.335 20 0 GIADLO Cc1nc(C[N@H+](C)CCOc2ccc(Br)cc2)nc2ccccc12 ZINC000024375332 819052365 /nfs/dbraw/zinc/05/23/65/819052365.db2.gz HYLHUEDZYCQDIW-UHFFFAOYSA-N 1 2 386.293 4.212 20 0 GIADLO Cc1nc(C[N@@H+](C)CCOc2ccc(Br)cc2)nc2ccccc12 ZINC000024375332 819052370 /nfs/dbraw/zinc/05/23/70/819052370.db2.gz HYLHUEDZYCQDIW-UHFFFAOYSA-N 1 2 386.293 4.212 20 0 GIADLO Cc1ccccc1-n1ccnc1SCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000058383375 823384614 /nfs/dbraw/zinc/38/46/14/823384614.db2.gz CCKKWOUZVBWRKF-UHFFFAOYSA-N 1 2 389.484 4.097 20 0 GIADLO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)Nc1ccc(Br)cc1F ZINC000177166302 823388788 /nfs/dbraw/zinc/38/87/88/823388788.db2.gz UWPQQTQFNRQUOM-UHFFFAOYSA-N 1 2 397.210 4.191 20 0 GIADLO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)Nc1ccc(Br)cc1F ZINC000177166302 823388794 /nfs/dbraw/zinc/38/87/94/823388794.db2.gz UWPQQTQFNRQUOM-UHFFFAOYSA-N 1 2 397.210 4.191 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000177170285 823389877 /nfs/dbraw/zinc/38/98/77/823389877.db2.gz PQAFXVONEAAQQN-UHFFFAOYSA-N 1 2 394.441 4.092 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000177170285 823389883 /nfs/dbraw/zinc/38/98/83/823389883.db2.gz PQAFXVONEAAQQN-UHFFFAOYSA-N 1 2 394.441 4.092 20 0 GIADLO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)Nc1nc2ccc(F)cc2s1 ZINC000177169689 823389923 /nfs/dbraw/zinc/38/99/23/823389923.db2.gz MNGPVNMWQVFVID-UHFFFAOYSA-N 1 2 375.391 4.038 20 0 GIADLO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)Nc1nc2ccc(F)cc2s1 ZINC000177169689 823389924 /nfs/dbraw/zinc/38/99/24/823389924.db2.gz MNGPVNMWQVFVID-UHFFFAOYSA-N 1 2 375.391 4.038 20 0 GIADLO CSCc1cccc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000189306018 823391322 /nfs/dbraw/zinc/39/13/22/823391322.db2.gz SVPDYCHACANODN-UHFFFAOYSA-N 1 2 385.558 4.055 20 0 GIADLO COc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(OCCC(C)C)c1 ZINC000189340596 823397113 /nfs/dbraw/zinc/39/71/13/823397113.db2.gz WBTGPAQBICXNFO-YLJYHZDGSA-N 1 2 385.508 4.040 20 0 GIADLO COc1ccccc1-c1csc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000122731870 823402149 /nfs/dbraw/zinc/40/21/49/823402149.db2.gz MMSFJDXZFPQYCU-UHFFFAOYSA-N 1 2 390.468 4.316 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c1C ZINC000058628457 823419485 /nfs/dbraw/zinc/41/94/85/823419485.db2.gz XALGRRSTNVZUEG-UHFFFAOYSA-N 1 2 388.487 4.355 20 0 GIADLO Cn1c[nH+]cc1CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000572902538 823416840 /nfs/dbraw/zinc/41/68/40/823416840.db2.gz HBOGYCUGSPPJHR-LJQANCHMSA-N 1 2 379.426 4.419 20 0 GIADLO CCOc1cc2c(cc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)O[C@@H](C)C2 ZINC000058616276 823417182 /nfs/dbraw/zinc/41/71/82/823417182.db2.gz HJNMDLQYPCVZCJ-AWEZNQCLSA-N 1 2 399.491 4.093 20 0 GIADLO c1cn(-c2ccc(C[N@@H+]3CCCC[C@H]3c3nc(-c4ccccc4)no3)cn2)cn1 ZINC000177275661 823418233 /nfs/dbraw/zinc/41/82/33/823418233.db2.gz SIFZBWRTDWCAKA-IBGZPJMESA-N 1 2 386.459 4.045 20 0 GIADLO c1cn(-c2ccc(C[N@H+]3CCCC[C@H]3c3nc(-c4ccccc4)no3)cn2)cn1 ZINC000177275661 823418234 /nfs/dbraw/zinc/41/82/34/823418234.db2.gz SIFZBWRTDWCAKA-IBGZPJMESA-N 1 2 386.459 4.045 20 0 GIADLO C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000460538380 823424268 /nfs/dbraw/zinc/42/42/68/823424268.db2.gz IIGQZJJFROVQLK-QGZVFWFLSA-N 1 2 394.906 4.045 20 0 GIADLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000024679796 819864012 /nfs/dbraw/zinc/86/40/12/819864012.db2.gz FTJWBPIVTYOMQZ-GOSISDBHSA-N 1 2 386.430 4.027 20 0 GIADLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](Cc1ccccc1F)C1CC1 ZINC000024679796 819864022 /nfs/dbraw/zinc/86/40/22/819864022.db2.gz FTJWBPIVTYOMQZ-GOSISDBHSA-N 1 2 386.430 4.027 20 0 GIADLO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000024747203 819872387 /nfs/dbraw/zinc/87/23/87/819872387.db2.gz QFPPJKZMRZXNTL-UHFFFAOYSA-N 1 2 384.427 4.104 20 0 GIADLO Cc1ccc(S[C@H](C)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410259099 823437604 /nfs/dbraw/zinc/43/76/04/823437604.db2.gz AMJGFDOVCXHQTI-MSOLQXFVSA-N 1 2 383.561 4.415 20 0 GIADLO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccccc1Cl ZINC000025054874 819916311 /nfs/dbraw/zinc/91/63/11/819916311.db2.gz IGFSZOWOIFNWBE-MRXNPFEDSA-N 1 2 384.907 4.112 20 0 GIADLO CC(C)[C@@H](NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000025056286 819916436 /nfs/dbraw/zinc/91/64/36/819916436.db2.gz MBOMNGREBMFLBC-HSZRJFAPSA-N 1 2 378.516 4.095 20 0 GIADLO O=C(NC1CC1)c1ccc(C[N@H+](Cc2coc(-c3cccs3)n2)C2CC2)cc1 ZINC000025184559 819939953 /nfs/dbraw/zinc/93/99/53/819939953.db2.gz PITSNEYDRLJGBI-UHFFFAOYSA-N 1 2 393.512 4.460 20 0 GIADLO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2coc(-c3cccs3)n2)C2CC2)cc1 ZINC000025184559 819939961 /nfs/dbraw/zinc/93/99/61/819939961.db2.gz PITSNEYDRLJGBI-UHFFFAOYSA-N 1 2 393.512 4.460 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253112 819950768 /nfs/dbraw/zinc/95/07/68/819950768.db2.gz AKZDJNMIYYNKSQ-NSHDSACASA-N 1 2 388.336 4.322 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253112 819950777 /nfs/dbraw/zinc/95/07/77/819950777.db2.gz AKZDJNMIYYNKSQ-NSHDSACASA-N 1 2 388.336 4.322 20 0 GIADLO CC(C)COc1ccc(CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410267407 823441351 /nfs/dbraw/zinc/44/13/51/823441351.db2.gz HCGWBYCMLHFKHC-FQEVSTJZSA-N 1 2 395.547 4.203 20 0 GIADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)Nc1ccc(C(F)(F)F)cc1 ZINC000025416542 819977175 /nfs/dbraw/zinc/97/71/75/819977175.db2.gz BHAGNCUTBDEMQT-HXUWFJFHSA-N 1 2 385.389 4.418 20 0 GIADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)Nc1ccc(C(F)(F)F)cc1 ZINC000025416539 819977234 /nfs/dbraw/zinc/97/72/34/819977234.db2.gz BHAGNCUTBDEMQT-FQEVSTJZSA-N 1 2 385.389 4.418 20 0 GIADLO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1Cl ZINC000025416192 819977246 /nfs/dbraw/zinc/97/72/46/819977246.db2.gz UTHBDEOGMAPGIR-NRFANRHFSA-N 1 2 381.863 4.061 20 0 GIADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000025443030 819981298 /nfs/dbraw/zinc/98/12/98/819981298.db2.gz HNPPPGDYPZQNPP-INIZCTEOSA-N 1 2 390.480 4.066 20 0 GIADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000025443030 819981305 /nfs/dbraw/zinc/98/13/05/819981305.db2.gz HNPPPGDYPZQNPP-INIZCTEOSA-N 1 2 390.480 4.066 20 0 GIADLO CC[N@H+](C)[C@H](c1nc([C@@H](NC(=O)c2ccccc2)C(C)C)no1)c1ccccc1 ZINC000573097986 823447080 /nfs/dbraw/zinc/44/70/80/823447080.db2.gz SEKBIBNOAKFVQS-PMACEKPBSA-N 1 2 392.503 4.238 20 0 GIADLO CC[N@@H+](C)[C@H](c1nc([C@@H](NC(=O)c2ccccc2)C(C)C)no1)c1ccccc1 ZINC000573097986 823447082 /nfs/dbraw/zinc/44/70/82/823447082.db2.gz SEKBIBNOAKFVQS-PMACEKPBSA-N 1 2 392.503 4.238 20 0 GIADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2csc3ccccc23)CC1 ZINC000025963126 820044595 /nfs/dbraw/zinc/04/45/95/820044595.db2.gz FVHUMHQNGSSKKP-UHFFFAOYSA-N 1 2 380.513 4.176 20 0 GIADLO Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(Cl)c1 ZINC000026117384 820060611 /nfs/dbraw/zinc/06/06/11/820060611.db2.gz UGDKIQYFCLELNK-JOCHJYFZSA-N 1 2 386.923 4.341 20 0 GIADLO CSc1ccc(Cl)c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000026215997 820070139 /nfs/dbraw/zinc/07/01/39/820070139.db2.gz CTNHOTDGNKEEOU-UHFFFAOYSA-N 1 2 385.920 4.279 20 0 GIADLO C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410290016 823451033 /nfs/dbraw/zinc/45/10/33/823451033.db2.gz NVJQPXJLYYIKEZ-CVEARBPZSA-N 1 2 387.911 4.046 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC(c1ccccc1)c1ccccc1 ZINC000026302806 820079616 /nfs/dbraw/zinc/07/96/16/820079616.db2.gz NXCNATLRBWZKHQ-UHFFFAOYSA-N 1 2 386.499 4.271 20 0 GIADLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]2C ZINC000189583484 823451795 /nfs/dbraw/zinc/45/17/95/823451795.db2.gz VLNNZBUFORPBGP-GFCCVEGCSA-N 1 2 396.322 4.114 20 0 GIADLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]2C ZINC000189583484 823451800 /nfs/dbraw/zinc/45/18/00/823451800.db2.gz VLNNZBUFORPBGP-GFCCVEGCSA-N 1 2 396.322 4.114 20 0 GIADLO O=C(Nc1ccc(N2CCCC2)cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058790913 823452502 /nfs/dbraw/zinc/45/25/02/823452502.db2.gz YLSUNSPVDKXABJ-OAQYLSRUSA-N 1 2 381.545 4.015 20 0 GIADLO Cc1ccc(-n2c3ccccc3n(C[NH+]3CCC4(CC3)OCCO4)c2=S)cc1 ZINC000026609614 820120601 /nfs/dbraw/zinc/12/06/01/820120601.db2.gz BXNJYFJXLFGRGG-UHFFFAOYSA-N 1 2 395.528 4.266 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)c(C)c1 ZINC000026639133 820126222 /nfs/dbraw/zinc/12/62/22/820126222.db2.gz NIJJBNOAYRHSGS-UHFFFAOYSA-N 1 2 390.527 4.178 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)c(C)c1 ZINC000026643206 820127253 /nfs/dbraw/zinc/12/72/53/820127253.db2.gz DVEHATMUPSZDFQ-KRWDZBQOSA-N 1 2 382.479 4.364 20 0 GIADLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026812596 820147775 /nfs/dbraw/zinc/14/77/75/820147775.db2.gz JPTXKJTTXIZCKK-CYBMUJFWSA-N 1 2 375.925 4.062 20 0 GIADLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026812596 820147779 /nfs/dbraw/zinc/14/77/79/820147779.db2.gz JPTXKJTTXIZCKK-CYBMUJFWSA-N 1 2 375.925 4.062 20 0 GIADLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026813311 820148467 /nfs/dbraw/zinc/14/84/67/820148467.db2.gz MYXGDLRJPLIDOD-LBPRGKRZSA-N 1 2 393.965 4.490 20 0 GIADLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026813311 820148473 /nfs/dbraw/zinc/14/84/73/820148473.db2.gz MYXGDLRJPLIDOD-LBPRGKRZSA-N 1 2 393.965 4.490 20 0 GIADLO Cc1nc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)s2)sc1C ZINC000026905024 820161869 /nfs/dbraw/zinc/16/18/69/820161869.db2.gz GAVFHEBHLBMZOO-VIFPVBQESA-N 1 2 388.356 4.043 20 0 GIADLO Cc1nc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)s2)sc1C ZINC000026905024 820161875 /nfs/dbraw/zinc/16/18/75/820161875.db2.gz GAVFHEBHLBMZOO-VIFPVBQESA-N 1 2 388.356 4.043 20 0 GIADLO O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410307970 823458747 /nfs/dbraw/zinc/45/87/47/823458747.db2.gz MSWBLOUZEDSYPQ-WPWBMXPQSA-N 1 2 389.543 4.220 20 0 GIADLO Clc1cc(Br)ccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000177449520 823464843 /nfs/dbraw/zinc/46/48/43/823464843.db2.gz QJYFCYUATONFEI-MRXNPFEDSA-N 1 2 388.733 4.263 20 0 GIADLO O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000028488288 820339132 /nfs/dbraw/zinc/33/91/32/820339132.db2.gz YYYZTFFMGLQHSM-AATRIKPKSA-N 1 2 397.931 4.307 20 0 GIADLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000058934435 823472279 /nfs/dbraw/zinc/47/22/79/823472279.db2.gz SOUKYAYXJJUGMJ-UHFFFAOYSA-N 1 2 378.516 4.419 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCc3nc4ccccc4o3)n2)C1 ZINC000028683777 820350362 /nfs/dbraw/zinc/35/03/62/820350362.db2.gz GANAKHHJLDWOFW-AWEZNQCLSA-N 1 2 384.505 4.088 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCc3nc4ccccc4o3)n2)C1 ZINC000028683777 820350366 /nfs/dbraw/zinc/35/03/66/820350366.db2.gz GANAKHHJLDWOFW-AWEZNQCLSA-N 1 2 384.505 4.088 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(OC(F)F)c3)n2)C1 ZINC000028683063 820350597 /nfs/dbraw/zinc/35/05/97/820350597.db2.gz YNBJLBBXPZGNMK-GFCCVEGCSA-N 1 2 381.448 4.229 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(OC(F)F)c3)n2)C1 ZINC000028683063 820350607 /nfs/dbraw/zinc/35/06/07/820350607.db2.gz YNBJLBBXPZGNMK-GFCCVEGCSA-N 1 2 381.448 4.229 20 0 GIADLO Cc1ccnn1-c1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000028684542 820351394 /nfs/dbraw/zinc/35/13/94/820351394.db2.gz SPBFTJBLEIDRST-OAHLLOKOSA-N 1 2 395.532 4.121 20 0 GIADLO Cc1ccnn1-c1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000028684542 820351403 /nfs/dbraw/zinc/35/14/03/820351403.db2.gz SPBFTJBLEIDRST-OAHLLOKOSA-N 1 2 395.532 4.121 20 0 GIADLO CCCCOc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1OC ZINC000028694945 820352350 /nfs/dbraw/zinc/35/23/50/820352350.db2.gz AFSQRDJMXUHHJJ-UHFFFAOYSA-N 1 2 393.487 4.049 20 0 GIADLO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123170789 823473586 /nfs/dbraw/zinc/47/35/86/823473586.db2.gz IXPMEWUMLHUSJC-KSSFIOAISA-N 1 2 398.507 4.101 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1C ZINC000058958046 823476052 /nfs/dbraw/zinc/47/60/52/823476052.db2.gz BULDNQQHSXHKDG-UHFFFAOYSA-N 1 2 398.894 4.127 20 0 GIADLO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000029165784 820403446 /nfs/dbraw/zinc/40/34/46/820403446.db2.gz IVARTAXCUDBHEO-UHFFFAOYSA-N 1 2 384.867 4.053 20 0 GIADLO CC(C)[C@H](C)[N@H+](C)Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S ZINC000029541719 820472619 /nfs/dbraw/zinc/47/26/19/820472619.db2.gz YNBJRLLGJIUHFM-KRWDZBQOSA-N 1 2 381.549 4.458 20 0 GIADLO CC(C)[C@H](C)[N@@H+](C)Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S ZINC000029541719 820472625 /nfs/dbraw/zinc/47/26/25/820472625.db2.gz YNBJRLLGJIUHFM-KRWDZBQOSA-N 1 2 381.549 4.458 20 0 GIADLO C[N@H+](Cc1ccccc1Cl)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029697686 820500224 /nfs/dbraw/zinc/50/02/24/820500224.db2.gz HXMJBHKWQLRLNU-MRXNPFEDSA-N 1 2 376.847 4.009 20 0 GIADLO C[N@@H+](Cc1ccccc1Cl)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029697686 820500231 /nfs/dbraw/zinc/50/02/31/820500231.db2.gz HXMJBHKWQLRLNU-MRXNPFEDSA-N 1 2 376.847 4.009 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cncc(Br)c1 ZINC000029715423 820505392 /nfs/dbraw/zinc/50/53/92/820505392.db2.gz JYJJQGAOJHQGKB-UHFFFAOYSA-N 1 2 376.298 4.003 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cncc(Br)c1 ZINC000029715423 820505400 /nfs/dbraw/zinc/50/54/00/820505400.db2.gz JYJJQGAOJHQGKB-UHFFFAOYSA-N 1 2 376.298 4.003 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1C ZINC000029825270 820524845 /nfs/dbraw/zinc/52/48/45/820524845.db2.gz IYMLLJGPXSMBIN-INIZCTEOSA-N 1 2 379.460 4.038 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1C ZINC000029825270 820524851 /nfs/dbraw/zinc/52/48/51/820524851.db2.gz IYMLLJGPXSMBIN-INIZCTEOSA-N 1 2 379.460 4.038 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C(F)(F)F)nc3)n2)C1 ZINC000029838689 820529335 /nfs/dbraw/zinc/52/93/35/820529335.db2.gz OFLJADYEDPGQEU-LLVKDONJSA-N 1 2 384.427 4.041 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C(F)(F)F)nc3)n2)C1 ZINC000029838689 820529336 /nfs/dbraw/zinc/52/93/36/820529336.db2.gz OFLJADYEDPGQEU-LLVKDONJSA-N 1 2 384.427 4.041 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000029870624 820535984 /nfs/dbraw/zinc/53/59/84/820535984.db2.gz HJLYORJANJDIDB-UHFFFAOYSA-N 1 2 398.510 4.264 20 0 GIADLO FC(F)Sc1nc2ccccc2n1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029893166 820541734 /nfs/dbraw/zinc/54/17/34/820541734.db2.gz ZUKWFQZSRHIJHL-QGZVFWFLSA-N 1 2 375.444 4.382 20 0 GIADLO FC(F)Sc1nc2ccccc2n1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029893166 820541739 /nfs/dbraw/zinc/54/17/39/820541739.db2.gz ZUKWFQZSRHIJHL-QGZVFWFLSA-N 1 2 375.444 4.382 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000029908290 820546126 /nfs/dbraw/zinc/54/61/26/820546126.db2.gz PQNSYMSVOUHCEV-UHFFFAOYSA-N 1 2 385.398 4.495 20 0 GIADLO CC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000189751442 823487952 /nfs/dbraw/zinc/48/79/52/823487952.db2.gz DNNFUKYXSSGEEH-WOJBJXKFSA-N 1 2 387.430 4.043 20 0 GIADLO CC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000189751442 823487954 /nfs/dbraw/zinc/48/79/54/823487954.db2.gz DNNFUKYXSSGEEH-WOJBJXKFSA-N 1 2 387.430 4.043 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3occc3-c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000029953624 820556435 /nfs/dbraw/zinc/55/64/35/820556435.db2.gz XAFAEVOLHYQGIA-UHFFFAOYSA-N 1 2 390.487 4.131 20 0 GIADLO Cc1nc(-c2cccs2)ccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030011748 820568925 /nfs/dbraw/zinc/56/89/25/820568925.db2.gz WWRYHMMAZZTBGQ-UHFFFAOYSA-N 1 2 378.501 4.044 20 0 GIADLO O=C(c1ccncc1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030180958 820585104 /nfs/dbraw/zinc/58/51/04/820585104.db2.gz WDMVXEHOAMXZCT-UHFFFAOYSA-N 1 2 397.931 4.422 20 0 GIADLO Cc1nc2cc(Cl)c(NC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)cc2s1 ZINC000573522685 823494120 /nfs/dbraw/zinc/49/41/20/823494120.db2.gz LCLRMWVEYOFHJT-NSHDSACASA-N 1 2 375.885 4.013 20 0 GIADLO Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030220137 820589254 /nfs/dbraw/zinc/58/92/54/820589254.db2.gz WNFAVDNWWBBAMB-UHFFFAOYSA-N 1 2 377.488 4.058 20 0 GIADLO CNC(=O)Cc1nc(C[N@H+]([C@H](C)c2ccc3ccccc3c2)C2CC2)cs1 ZINC000177579680 823495475 /nfs/dbraw/zinc/49/54/75/823495475.db2.gz DIIDKRCSQZICJL-OAHLLOKOSA-N 1 2 379.529 4.310 20 0 GIADLO CNC(=O)Cc1nc(C[N@@H+]([C@H](C)c2ccc3ccccc3c2)C2CC2)cs1 ZINC000177579680 823495476 /nfs/dbraw/zinc/49/54/76/823495476.db2.gz DIIDKRCSQZICJL-OAHLLOKOSA-N 1 2 379.529 4.310 20 0 GIADLO Cc1nc(-c2ccc(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)s2)cs1 ZINC000030516985 820629270 /nfs/dbraw/zinc/62/92/70/820629270.db2.gz ORQJJJXFEXJNQI-UHFFFAOYSA-N 1 2 380.498 4.296 20 0 GIADLO COc1cccc([C@H]([NH2+]Cc2cnc3ccccn23)c2cc(F)ccc2OC)c1 ZINC000177563392 823492171 /nfs/dbraw/zinc/49/21/71/823492171.db2.gz QOOILGYUXUCIIF-QHCPKHFHSA-N 1 2 391.446 4.370 20 0 GIADLO COC[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)c1ccc(C)o1 ZINC000177567772 823492862 /nfs/dbraw/zinc/49/28/62/823492862.db2.gz AFXSUCKBKPJWMR-NRFANRHFSA-N 1 2 394.471 4.326 20 0 GIADLO Cc1sc(-c2ccco2)nc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000030570623 820642955 /nfs/dbraw/zinc/64/29/55/820642955.db2.gz YXSTXZTYMUMYHB-UHFFFAOYSA-N 1 2 388.518 4.406 20 0 GIADLO CSc1cc(C)ccc1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000123301668 823493095 /nfs/dbraw/zinc/49/30/95/823493095.db2.gz MQBUZGKGNCBTLE-UHFFFAOYSA-N 1 2 396.516 4.314 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(F)ccc1Cl ZINC000573465485 823493132 /nfs/dbraw/zinc/49/31/32/823493132.db2.gz GLJQZUSRMNNYHY-UHFFFAOYSA-N 1 2 375.875 4.253 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C[C@H]1n1cc[nH+]c1 ZINC000177604525 823499650 /nfs/dbraw/zinc/49/96/50/823499650.db2.gz YDAFWEVEIDLSAV-SUMWQHHRSA-N 1 2 381.505 4.485 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000177604499 823499666 /nfs/dbraw/zinc/49/96/66/823499666.db2.gz YDAFWEVEIDLSAV-GUYCJALGSA-N 1 2 381.505 4.485 20 0 GIADLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177632300 823504866 /nfs/dbraw/zinc/50/48/66/823504866.db2.gz SRFCJZZICLAHPF-LBPRGKRZSA-N 1 2 384.282 4.006 20 0 GIADLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177632300 823504870 /nfs/dbraw/zinc/50/48/70/823504870.db2.gz SRFCJZZICLAHPF-LBPRGKRZSA-N 1 2 384.282 4.006 20 0 GIADLO CCC(CC)[C@H](C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1)[NH+]1CCOCC1 ZINC000460764181 823506439 /nfs/dbraw/zinc/50/64/39/823506439.db2.gz DCEHRRBNRWQHRF-OAQYLSRUSA-N 1 2 397.519 4.295 20 0 GIADLO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[N@@H+]1CCc1cncs1 ZINC000411359481 823566260 /nfs/dbraw/zinc/56/62/60/823566260.db2.gz DIWSKGUCSMNJMB-MRXNPFEDSA-N 1 2 384.332 4.486 20 0 GIADLO Cc1ccc2[nH+]c(CSc3cc(C(=O)NC4CC4)c4ccccc4n3)cn2c1 ZINC000031784130 820858844 /nfs/dbraw/zinc/85/88/44/820858844.db2.gz SZWWBBWGZOUSSN-UHFFFAOYSA-N 1 2 388.496 4.375 20 0 GIADLO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[N@H+]1CCc1cncs1 ZINC000411359481 823566262 /nfs/dbraw/zinc/56/62/62/823566262.db2.gz DIWSKGUCSMNJMB-MRXNPFEDSA-N 1 2 384.332 4.486 20 0 GIADLO CN(C)c1cccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000031895772 820872062 /nfs/dbraw/zinc/87/20/62/820872062.db2.gz NYOIVGPELDTMRZ-IBGZPJMESA-N 1 2 389.902 4.112 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccccc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000177722843 823516767 /nfs/dbraw/zinc/51/67/67/823516767.db2.gz RUPAXZISOIDOIZ-YJBOKZPZSA-N 1 2 381.505 4.045 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1cccc(Cl)c1 ZINC000032510983 820964068 /nfs/dbraw/zinc/96/40/68/820964068.db2.gz DXGGMDNUXIYVLI-SFHVURJKSA-N 1 2 397.862 4.336 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1cccc(Cl)c1 ZINC000032510983 820964073 /nfs/dbraw/zinc/96/40/73/820964073.db2.gz DXGGMDNUXIYVLI-SFHVURJKSA-N 1 2 397.862 4.336 20 0 GIADLO COc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)CC3 ZINC000123550373 823520165 /nfs/dbraw/zinc/52/01/65/823520165.db2.gz RCXXSKAEMAETOG-KRWDZBQOSA-N 1 2 391.515 4.107 20 0 GIADLO CCCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000189978181 823520665 /nfs/dbraw/zinc/52/06/65/823520665.db2.gz UFGKBJUCQPMMEL-FQEVSTJZSA-N 1 2 386.584 4.006 20 0 GIADLO Fc1ccc(C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C2CC2)cc1 ZINC000032775927 821006760 /nfs/dbraw/zinc/00/67/60/821006760.db2.gz NRZTUOIJLMZPGQ-UHFFFAOYSA-N 1 2 392.228 4.396 20 0 GIADLO Fc1ccc(C[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C2CC2)cc1 ZINC000032775927 821006770 /nfs/dbraw/zinc/00/67/70/821006770.db2.gz NRZTUOIJLMZPGQ-UHFFFAOYSA-N 1 2 392.228 4.396 20 0 GIADLO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000032941278 821021133 /nfs/dbraw/zinc/02/11/33/821021133.db2.gz WAMZZBIBICNWLV-FQEVSTJZSA-N 1 2 391.540 4.171 20 0 GIADLO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000032941278 821021143 /nfs/dbraw/zinc/02/11/43/821021143.db2.gz WAMZZBIBICNWLV-FQEVSTJZSA-N 1 2 391.540 4.171 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000123578425 823523369 /nfs/dbraw/zinc/52/33/69/823523369.db2.gz OJMRNHADGSWEAG-UHFFFAOYSA-N 1 2 377.492 4.074 20 0 GIADLO OC1(c2c(F)cccc2F)CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000190026772 823527974 /nfs/dbraw/zinc/52/79/74/823527974.db2.gz SFBHFKMLUJTSPH-UHFFFAOYSA-N 1 2 389.471 4.035 20 0 GIADLO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000033240872 821053924 /nfs/dbraw/zinc/05/39/24/821053924.db2.gz FXOCNQCETDLSHS-OAHLLOKOSA-N 1 2 385.533 4.024 20 0 GIADLO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)NC(=O)Nc1ccccc1 ZINC000036007211 821067439 /nfs/dbraw/zinc/06/74/39/821067439.db2.gz GLZXKKCSTAXHRX-IBGZPJMESA-N 1 2 397.525 4.105 20 0 GIADLO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)NC(=O)Nc1ccccc1 ZINC000036007211 821067450 /nfs/dbraw/zinc/06/74/50/821067450.db2.gz GLZXKKCSTAXHRX-IBGZPJMESA-N 1 2 397.525 4.105 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)/C=C/c2ccco2)cc1 ZINC000060447386 823528880 /nfs/dbraw/zinc/52/88/80/823528880.db2.gz TVWMXIOAMHVTCQ-ZHACJKMWSA-N 1 2 379.460 4.007 20 0 GIADLO CSCc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000036652225 821074157 /nfs/dbraw/zinc/07/41/57/821074157.db2.gz WBUHUWIEISMDGV-UHFFFAOYSA-N 1 2 375.563 4.490 20 0 GIADLO C[N@H+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)Cc1cccs1 ZINC000038249759 821094971 /nfs/dbraw/zinc/09/49/71/821094971.db2.gz GHVJHDVUNBWPIF-UHFFFAOYSA-N 1 2 379.457 4.220 20 0 GIADLO C[N@@H+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)Cc1cccs1 ZINC000038249759 821094978 /nfs/dbraw/zinc/09/49/78/821094978.db2.gz GHVJHDVUNBWPIF-UHFFFAOYSA-N 1 2 379.457 4.220 20 0 GIADLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)c1 ZINC000038694982 821099361 /nfs/dbraw/zinc/09/93/61/821099361.db2.gz LGBWLKWPZHULOR-UHFFFAOYSA-N 1 2 378.447 4.352 20 0 GIADLO CCCCCCOc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000060426273 823525957 /nfs/dbraw/zinc/52/59/57/823525957.db2.gz KALFKRDTQLEIBB-UHFFFAOYSA-N 1 2 381.520 4.440 20 0 GIADLO Cc1oc(-c2ccccc2)nc1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000039548962 821112692 /nfs/dbraw/zinc/11/26/92/821112692.db2.gz UNYJCSVFNCGNJF-UHFFFAOYSA-N 1 2 377.488 4.119 20 0 GIADLO Cc1oc(-c2ccccc2)nc1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000039548962 821112697 /nfs/dbraw/zinc/11/26/97/821112697.db2.gz UNYJCSVFNCGNJF-UHFFFAOYSA-N 1 2 377.488 4.119 20 0 GIADLO CCC(CC)[C@H](C(=O)Nc1ccc(-c2nc(C)cs2)cc1)[NH+]1CCOCC1 ZINC000460865797 823532093 /nfs/dbraw/zinc/53/20/93/823532093.db2.gz UYGMMIGGKTUNSY-LJQANCHMSA-N 1 2 387.549 4.194 20 0 GIADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]Cc1cccc2c1OCO2 ZINC000060527081 823538566 /nfs/dbraw/zinc/53/85/66/823538566.db2.gz XGYLSYDZZTYIDJ-UHFFFAOYSA-N 1 2 383.879 4.220 20 0 GIADLO Cc1ccc(-c2nc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cs2)c(C)c1 ZINC000123776250 823539646 /nfs/dbraw/zinc/53/96/46/823539646.db2.gz RLSZKPSUSRPNOY-HNAYVOBHSA-N 1 2 380.517 4.347 20 0 GIADLO O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1C[N@H+](C1CC1)C1CCCC1 ZINC000042094368 821264118 /nfs/dbraw/zinc/26/41/18/821264118.db2.gz KVMYNJGDQLTVPY-UHFFFAOYSA-N 1 2 377.410 4.294 20 0 GIADLO O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1C[N@@H+](C1CC1)C1CCCC1 ZINC000042094368 821264124 /nfs/dbraw/zinc/26/41/24/821264124.db2.gz KVMYNJGDQLTVPY-UHFFFAOYSA-N 1 2 377.410 4.294 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)o2)c(C)c1 ZINC000042146533 821274626 /nfs/dbraw/zinc/27/46/26/821274626.db2.gz SIUXHFAUYZLGFU-AWEZNQCLSA-N 1 2 379.298 4.426 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)o2)c(C)c1 ZINC000042146533 821274635 /nfs/dbraw/zinc/27/46/35/821274635.db2.gz SIUXHFAUYZLGFU-AWEZNQCLSA-N 1 2 379.298 4.426 20 0 GIADLO CSc1cccc(NC(=O)[C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000042287428 821295306 /nfs/dbraw/zinc/29/53/06/821295306.db2.gz XBQVSZPLMJXLIJ-QPGLYAHGSA-N 1 2 395.572 4.067 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]3Cc3ccccc3)cn2c1 ZINC000042466029 821307494 /nfs/dbraw/zinc/30/74/94/821307494.db2.gz UEUNECXGIUBHPW-FQEVSTJZSA-N 1 2 379.529 4.110 20 0 GIADLO COc1ccc(CN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C2CC2)cc1 ZINC000042472860 821308578 /nfs/dbraw/zinc/30/85/78/821308578.db2.gz NIDMBBUUZXHRNR-UHFFFAOYSA-N 1 2 395.528 4.076 20 0 GIADLO CC[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741311 821329316 /nfs/dbraw/zinc/32/93/16/821329316.db2.gz OIDHRWNPGNQZBU-OAHLLOKOSA-N 1 2 376.909 4.068 20 0 GIADLO CC[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741311 821329324 /nfs/dbraw/zinc/32/93/24/821329324.db2.gz OIDHRWNPGNQZBU-OAHLLOKOSA-N 1 2 376.909 4.068 20 0 GIADLO CCCc1nc(C)c(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)s1 ZINC000042858829 821339243 /nfs/dbraw/zinc/33/92/43/821339243.db2.gz APTAHQPPUDVZRS-GFCCVEGCSA-N 1 2 378.567 4.345 20 0 GIADLO CCCc1nc(C)c(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)s1 ZINC000042858829 821339248 /nfs/dbraw/zinc/33/92/48/821339248.db2.gz APTAHQPPUDVZRS-GFCCVEGCSA-N 1 2 378.567 4.345 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000043192649 821376860 /nfs/dbraw/zinc/37/68/60/821376860.db2.gz ZGXJELWUIPNHNE-UHFFFAOYSA-N 1 2 390.365 4.152 20 0 GIADLO CC(C)(C)C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(F)(F)F ZINC000180643386 821380203 /nfs/dbraw/zinc/38/02/03/821380203.db2.gz PRIXBUKZGFHROY-MRXNPFEDSA-N 1 2 382.430 4.098 20 0 GIADLO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000180669054 821389225 /nfs/dbraw/zinc/38/92/25/821389225.db2.gz JKPNYHQFPBNCOH-LSDHHAIUSA-N 1 2 378.480 4.008 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccccc3F)n2)C1 ZINC000043547430 821424683 /nfs/dbraw/zinc/42/46/83/821424683.db2.gz JFBHTCGTEYACRY-AWEZNQCLSA-N 1 2 376.501 4.178 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccccc3F)n2)C1 ZINC000043547430 821424685 /nfs/dbraw/zinc/42/46/85/821424685.db2.gz JFBHTCGTEYACRY-AWEZNQCLSA-N 1 2 376.501 4.178 20 0 GIADLO Cc1ncsc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180753519 821435444 /nfs/dbraw/zinc/43/54/44/821435444.db2.gz HMMXPDBMEUTWEC-HZPDHXFCSA-N 1 2 381.904 4.198 20 0 GIADLO Cc1ncsc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180753519 821435447 /nfs/dbraw/zinc/43/54/47/821435447.db2.gz HMMXPDBMEUTWEC-HZPDHXFCSA-N 1 2 381.904 4.198 20 0 GIADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000180831777 821485118 /nfs/dbraw/zinc/48/51/18/821485118.db2.gz IQYVHDZWDXUMKH-CJNGLKHVSA-N 1 2 381.549 4.376 20 0 GIADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000180831777 821485123 /nfs/dbraw/zinc/48/51/23/821485123.db2.gz IQYVHDZWDXUMKH-CJNGLKHVSA-N 1 2 381.549 4.376 20 0 GIADLO COc1ccccc1Oc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000043900327 821485822 /nfs/dbraw/zinc/48/58/22/821485822.db2.gz CSVLWPMDUNKAMG-UHFFFAOYSA-N 1 2 378.432 4.116 20 0 GIADLO O=C(Nc1ccccc1SCC(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000043960922 821496374 /nfs/dbraw/zinc/49/63/74/821496374.db2.gz XQKOLIWSLJMHAK-UHFFFAOYSA-N 1 2 396.438 4.090 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cccc(OC(F)(F)F)c1 ZINC000044017838 821504380 /nfs/dbraw/zinc/50/43/80/821504380.db2.gz ZAUPSXMLNZYYON-UHFFFAOYSA-N 1 2 390.365 4.152 20 0 GIADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000180870827 821504924 /nfs/dbraw/zinc/50/49/24/821504924.db2.gz CNOPVMCTDWAORB-UHFFFAOYSA-N 1 2 378.303 4.011 20 0 GIADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000180870827 821504933 /nfs/dbraw/zinc/50/49/33/821504933.db2.gz CNOPVMCTDWAORB-UHFFFAOYSA-N 1 2 378.303 4.011 20 0 GIADLO CCOc1ccc([C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c2ccccc2Cl)cc1 ZINC000180893746 821519896 /nfs/dbraw/zinc/51/98/96/821519896.db2.gz KJDHHACQQQEXIF-YWZLYKJASA-N 1 2 395.952 4.241 20 0 GIADLO CCCCn1c(SCc2cn3cccc(C)c3n2)nnc1[C@@H](CC)[NH+](C)C ZINC000044172428 821539571 /nfs/dbraw/zinc/53/95/71/821539571.db2.gz ZJGGTRYEWFAVSE-QGZVFWFLSA-N 1 2 386.569 4.339 20 0 GIADLO C[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccc(OCC(F)(F)F)cc1 ZINC000180965344 821560314 /nfs/dbraw/zinc/56/03/14/821560314.db2.gz SYQYJUZVGIKSJE-AWEZNQCLSA-N 1 2 391.393 4.452 20 0 GIADLO O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000044309000 821566172 /nfs/dbraw/zinc/56/61/72/821566172.db2.gz FUZJXQJQVRDCRH-UHFFFAOYSA-N 1 2 382.489 4.116 20 0 GIADLO COc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1OC ZINC000044568302 821610226 /nfs/dbraw/zinc/61/02/26/821610226.db2.gz VNHQERYFMAHKHQ-UHFFFAOYSA-N 1 2 377.444 4.156 20 0 GIADLO O=C(CCOc1ccccc1F)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568190 821610318 /nfs/dbraw/zinc/61/03/18/821610318.db2.gz ACKIWNAIWYYZIH-UHFFFAOYSA-N 1 2 379.435 4.433 20 0 GIADLO COc1ccc(OC)c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000044568344 821610433 /nfs/dbraw/zinc/61/04/33/821610433.db2.gz XXTKGGXFYNNEGD-UHFFFAOYSA-N 1 2 377.444 4.156 20 0 GIADLO COc1ccccc1CCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568741 821610994 /nfs/dbraw/zinc/61/09/94/821610994.db2.gz DTOKHEZERLJGCL-UHFFFAOYSA-N 1 2 375.472 4.466 20 0 GIADLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Br)cc1 ZINC000044846144 821671603 /nfs/dbraw/zinc/67/16/03/821671603.db2.gz ADWTUQIUNOPIOM-CQSZACIVSA-N 1 2 384.277 4.185 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3C)no2)cc1OC ZINC000045004385 821689187 /nfs/dbraw/zinc/68/91/87/821689187.db2.gz KPXFSCZLGJKFOO-SFHVURJKSA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3C)no2)cc1OC ZINC000045004385 821689189 /nfs/dbraw/zinc/68/91/89/821689189.db2.gz KPXFSCZLGJKFOO-SFHVURJKSA-N 1 2 379.460 4.399 20 0 GIADLO c1ccc(CCc2noc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181235741 821711537 /nfs/dbraw/zinc/71/15/37/821711537.db2.gz GKUROIHZACSAPJ-FPOVZHCZSA-N 1 2 377.488 4.112 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1nc(-c2ccccc2)no1 ZINC000181266085 821724373 /nfs/dbraw/zinc/72/43/73/821724373.db2.gz LMZJGYKUZLFOCG-HUUCEWRRSA-N 1 2 378.432 4.105 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1nc(-c2ccccc2)no1 ZINC000181266069 821724416 /nfs/dbraw/zinc/72/44/16/821724416.db2.gz LMZJGYKUZLFOCG-LSDHHAIUSA-N 1 2 378.432 4.105 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(N2CCOC2=O)cc1 ZINC000181289405 821737603 /nfs/dbraw/zinc/73/76/03/821737603.db2.gz RRYXVVNSFATTDT-ZDUSSCGKSA-N 1 2 398.850 4.197 20 0 GIADLO C[C@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1cccc(N2CCOC2=O)c1 ZINC000181302653 821744735 /nfs/dbraw/zinc/74/47/35/821744735.db2.gz OCQKQPBLMFNCRC-AWEZNQCLSA-N 1 2 381.407 4.288 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1nc(Cc2ccccc2)no1 ZINC000181334745 821766699 /nfs/dbraw/zinc/76/66/99/821766699.db2.gz NQKWRPBNPXYHNU-HOTGVXAUSA-N 1 2 392.459 4.029 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)c1cn(-c2ccccc2)nn1 ZINC000181340022 821771038 /nfs/dbraw/zinc/77/10/38/821771038.db2.gz OLOWNURBLLBEDN-QWHCGFSZSA-N 1 2 376.382 4.420 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181346194 821776415 /nfs/dbraw/zinc/77/64/15/821776415.db2.gz UDZPCBZFUDVLJU-CQSZACIVSA-N 1 2 396.878 4.368 20 0 GIADLO CO[C@@H](C)CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000181351657 821780259 /nfs/dbraw/zinc/78/02/59/821780259.db2.gz HMRNXQGBKQYBAY-SFHVURJKSA-N 1 2 377.488 4.030 20 0 GIADLO C[C@H](NC(=O)C[N@H+](Cc1ccccn1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000181355039 821783406 /nfs/dbraw/zinc/78/34/06/821783406.db2.gz QWOOYSLNFDYDQW-ZDUSSCGKSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@H](NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000181355039 821783412 /nfs/dbraw/zinc/78/34/12/821783412.db2.gz QWOOYSLNFDYDQW-ZDUSSCGKSA-N 1 2 378.303 4.230 20 0 GIADLO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2OC)cc1 ZINC000181363856 821788952 /nfs/dbraw/zinc/78/89/52/821788952.db2.gz OTTCFFQILKVNMC-AOMKIAJQSA-N 1 2 395.455 4.108 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181367981 821791695 /nfs/dbraw/zinc/79/16/95/821791695.db2.gz FOPTZMWAKFCBKQ-AWEZNQCLSA-N 1 2 396.878 4.368 20 0 GIADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Br)o3)o2)cc1F ZINC000181371305 821793055 /nfs/dbraw/zinc/79/30/55/821793055.db2.gz SECNHWDUAUNHGS-SNVBAGLBSA-N 1 2 380.217 4.390 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2[C@@H](CO)CCC[C@@H]2C)cs1 ZINC000181389192 821800837 /nfs/dbraw/zinc/80/08/37/821800837.db2.gz JUWABHQMGHFXCV-HNAYVOBHSA-N 1 2 387.549 4.125 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)cs1 ZINC000181389192 821800838 /nfs/dbraw/zinc/80/08/38/821800838.db2.gz JUWABHQMGHFXCV-HNAYVOBHSA-N 1 2 387.549 4.125 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2)no1 ZINC000181393779 821803849 /nfs/dbraw/zinc/80/38/49/821803849.db2.gz XQTQIFXZTWSDHF-HOTGVXAUSA-N 1 2 376.460 4.275 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)co2)cc1 ZINC000181423337 821819189 /nfs/dbraw/zinc/81/91/89/821819189.db2.gz PVKLCUCJFRDWKC-MRXNPFEDSA-N 1 2 391.471 4.328 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cs1)c1ccc(C)cc1 ZINC000181455389 821833558 /nfs/dbraw/zinc/83/35/58/821833558.db2.gz HGQDZOBTJOTFNN-PXNSSMCTSA-N 1 2 387.549 4.119 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cs1)c1ccc(C)cc1 ZINC000181455389 821833567 /nfs/dbraw/zinc/83/35/67/821833567.db2.gz HGQDZOBTJOTFNN-PXNSSMCTSA-N 1 2 387.549 4.119 20 0 GIADLO O=C(NCCn1cc[nH+]c1)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181587154 821891717 /nfs/dbraw/zinc/89/17/17/821891717.db2.gz KQGPDPODQLEEGH-GOSISDBHSA-N 1 2 389.286 4.279 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000181613280 821903687 /nfs/dbraw/zinc/90/36/87/821903687.db2.gz NEUJGGCJLNGASY-AWEZNQCLSA-N 1 2 375.398 4.149 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000181630322 821912931 /nfs/dbraw/zinc/91/29/31/821912931.db2.gz YPFSOUKDLMFBJH-FQEVSTJZSA-N 1 2 385.462 4.434 20 0 GIADLO COC[C@H]([NH2+]Cc1csc(-c2ccc(OC)cc2OC)n1)c1ccccc1 ZINC000181647654 821921617 /nfs/dbraw/zinc/92/16/17/821921617.db2.gz GHNYURVQUNBONS-IBGZPJMESA-N 1 2 384.501 4.305 20 0 GIADLO COC[C@@H]([NH2+]Cc1csc(-c2ccc(C(=O)OC)cc2)n1)c1ccccc1 ZINC000181650492 821922901 /nfs/dbraw/zinc/92/29/01/821922901.db2.gz CBBWALNNDSUIHO-LJQANCHMSA-N 1 2 382.485 4.074 20 0 GIADLO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3cc4cccc(OC)c4o3)n2)cc1 ZINC000181694603 821947346 /nfs/dbraw/zinc/94/73/46/821947346.db2.gz BQKOVJQROAIWLR-HNNXBMFYSA-N 1 2 377.444 4.487 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(Cl)cc(Cl)n2)C[C@@H](C)O1 ZINC000181890442 822028253 /nfs/dbraw/zinc/02/82/53/822028253.db2.gz ITXQLGXKUXKYDY-CHWSQXEVSA-N 1 2 394.302 4.250 20 0 GIADLO C[NH+](C)[C@@H](C(=O)OCc1nc2cc(C(F)(F)F)ccc2o1)c1ccccc1 ZINC000181984799 822053713 /nfs/dbraw/zinc/05/37/13/822053713.db2.gz RUZRYEMWUVPTMM-QGZVFWFLSA-N 1 2 378.350 4.193 20 0 GIADLO C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1cn(-c2ccccc2)nn1 ZINC000182142095 822114857 /nfs/dbraw/zinc/11/48/57/822114857.db2.gz HXFXJPHWFYBIEY-INIZCTEOSA-N 1 2 378.476 4.073 20 0 GIADLO c1sc(C2CCCCC2)nc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000182163979 822125943 /nfs/dbraw/zinc/12/59/43/822125943.db2.gz ZMQPKVIBHVWFSN-NRFANRHFSA-N 1 2 385.577 4.354 20 0 GIADLO COc1ccc([C@H](CCO)[NH2+]Cc2csc(CCc3ccccc3)n2)cc1 ZINC000182379782 822222163 /nfs/dbraw/zinc/22/21/63/822222163.db2.gz PUIGUBMJEADFRE-NRFANRHFSA-N 1 2 382.529 4.150 20 0 GIADLO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000182393736 822227594 /nfs/dbraw/zinc/22/75/94/822227594.db2.gz ZPGSORVCWNBXFM-IBGZPJMESA-N 1 2 388.389 4.120 20 0 GIADLO O=c1[nH]c2ccccc2cc1C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000182393736 822227603 /nfs/dbraw/zinc/22/76/03/822227603.db2.gz ZPGSORVCWNBXFM-IBGZPJMESA-N 1 2 388.389 4.120 20 0 GIADLO COC[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccccc1 ZINC000182432793 822240723 /nfs/dbraw/zinc/24/07/23/822240723.db2.gz XHQPNJKSCVCABC-GOSISDBHSA-N 1 2 377.275 4.051 20 0 GIADLO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182486777 822262551 /nfs/dbraw/zinc/26/25/51/822262551.db2.gz WTTGGVWKTZSXDW-DOTOQJQBSA-N 1 2 378.501 4.168 20 0 GIADLO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182486777 822262556 /nfs/dbraw/zinc/26/25/56/822262556.db2.gz WTTGGVWKTZSXDW-DOTOQJQBSA-N 1 2 378.501 4.168 20 0 GIADLO Cc1oc2nc(C[NH2+][C@@H](C)c3ccc(OC(F)(F)F)cc3)nc(N)c2c1C ZINC000182508206 822273983 /nfs/dbraw/zinc/27/39/83/822273983.db2.gz AYSPODTTZICJDY-JTQLQIEISA-N 1 2 380.370 4.171 20 0 GIADLO NC(=O)c1cccc(C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)c1 ZINC000182531085 822285639 /nfs/dbraw/zinc/28/56/39/822285639.db2.gz HVFCMGRPGGGXKE-SFHVURJKSA-N 1 2 385.261 4.020 20 0 GIADLO O=C(Nc1ccc(Cl)cc1)c1nnc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)s1 ZINC000182540757 822292452 /nfs/dbraw/zinc/29/24/52/822292452.db2.gz WYZRPTHHIBPWTR-BETUJISGSA-N 1 2 376.913 4.066 20 0 GIADLO O=C(Nc1ccc(Cl)cc1)c1nnc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)s1 ZINC000182540757 822292458 /nfs/dbraw/zinc/29/24/58/822292458.db2.gz WYZRPTHHIBPWTR-BETUJISGSA-N 1 2 376.913 4.066 20 0 GIADLO OCC1CCN(c2ccc(NCc3ccc(Oc4ccccc4)o3)[nH+]c2)CC1 ZINC000182576804 822309493 /nfs/dbraw/zinc/30/94/93/822309493.db2.gz FVNXVRYDQKLXFI-UHFFFAOYSA-N 1 2 379.460 4.288 20 0 GIADLO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000178074681 822309973 /nfs/dbraw/zinc/30/99/73/822309973.db2.gz JXOPVHYXNGYPRF-GOSISDBHSA-N 1 2 385.899 4.201 20 0 GIADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3nc4oc(C)c(C)c4c(N)n3)oc21 ZINC000182650255 822338578 /nfs/dbraw/zinc/33/85/78/822338578.db2.gz SYBRMSFXOOHAAO-GFCCVEGCSA-N 1 2 380.448 4.418 20 0 GIADLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000182659338 822342517 /nfs/dbraw/zinc/34/25/17/822342517.db2.gz KFOYGXLEJGQSLZ-QVKFZJNVSA-N 1 2 375.896 4.461 20 0 GIADLO Cc1ccnc(Oc2cc(NC(=O)NCc3ccn4cc[nH+]c4c3)ccc2C)c1 ZINC000178214615 822354288 /nfs/dbraw/zinc/35/42/88/822354288.db2.gz ZVTVVACOUIOKFA-UHFFFAOYSA-N 1 2 387.443 4.460 20 0 GIADLO COc1ccc([C@H]([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)c2ccco2)cc1 ZINC000453423581 822360876 /nfs/dbraw/zinc/36/08/76/822360876.db2.gz XSOHTGLROXZXFN-NYHFZMIOSA-N 1 2 376.460 4.388 20 0 GIADLO CC[C@H](C)[N@H+](Cc1nc2cc(S(=O)(=O)CC)ccc2o1)Cc1ccccc1 ZINC000178280213 822362787 /nfs/dbraw/zinc/36/27/87/822362787.db2.gz QFRQZFUACLMDQH-INIZCTEOSA-N 1 2 386.517 4.422 20 0 GIADLO CC[C@H](C)[N@@H+](Cc1nc2cc(S(=O)(=O)CC)ccc2o1)Cc1ccccc1 ZINC000178280213 822362793 /nfs/dbraw/zinc/36/27/93/822362793.db2.gz QFRQZFUACLMDQH-INIZCTEOSA-N 1 2 386.517 4.422 20 0 GIADLO CC(C)[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000045151277 822366216 /nfs/dbraw/zinc/36/62/16/822366216.db2.gz ADQPISOYHYKKNW-NRFANRHFSA-N 1 2 380.467 4.267 20 0 GIADLO O=C(NCc1cc2ccccc2o1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178311706 822366276 /nfs/dbraw/zinc/36/62/76/822366276.db2.gz UZVJXEDWVNZFDD-RBBKRZOGSA-N 1 2 386.455 4.357 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2COC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000182791282 822367978 /nfs/dbraw/zinc/36/79/78/822367978.db2.gz GBKSMGDAMRQYDK-SJORKVTESA-N 1 2 396.915 4.252 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)c2sccc2COC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000182791282 822367981 /nfs/dbraw/zinc/36/79/81/822367981.db2.gz GBKSMGDAMRQYDK-SJORKVTESA-N 1 2 396.915 4.252 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cn3nc(-c4ccccc4F)ccc3=O)C2)c1 ZINC000182793241 822368245 /nfs/dbraw/zinc/36/82/45/822368245.db2.gz MDFWISMVQVVTDN-GOSISDBHSA-N 1 2 377.463 4.113 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3nc(-c4ccccc4F)ccc3=O)C2)c1 ZINC000182793241 822368251 /nfs/dbraw/zinc/36/82/51/822368251.db2.gz MDFWISMVQVVTDN-GOSISDBHSA-N 1 2 377.463 4.113 20 0 GIADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000178367414 822371985 /nfs/dbraw/zinc/37/19/85/822371985.db2.gz WLMXWOKVMUAFQN-FPOVZHCZSA-N 1 2 380.513 4.135 20 0 GIADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000178367414 822371988 /nfs/dbraw/zinc/37/19/88/822371988.db2.gz WLMXWOKVMUAFQN-FPOVZHCZSA-N 1 2 380.513 4.135 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000045270664 822375233 /nfs/dbraw/zinc/37/52/33/822375233.db2.gz RVUNLMAQAUFNMV-OAHLLOKOSA-N 1 2 376.913 4.073 20 0 GIADLO COc1ccc(-c2nc(C[N@H+](CCCO)[C@@H]3CCCc4ccccc43)no2)cc1 ZINC000178398056 822375445 /nfs/dbraw/zinc/37/54/45/822375445.db2.gz SODPDAMLISYLQN-OAQYLSRUSA-N 1 2 393.487 4.007 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+](CCCO)[C@@H]3CCCc4ccccc43)no2)cc1 ZINC000178398056 822375448 /nfs/dbraw/zinc/37/54/48/822375448.db2.gz SODPDAMLISYLQN-OAQYLSRUSA-N 1 2 393.487 4.007 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3csc(-c4ccco4)n3)C2)n1 ZINC000182846707 822377884 /nfs/dbraw/zinc/37/78/84/822377884.db2.gz QUPZVPVOKOJBAT-CYBMUJFWSA-N 1 2 382.411 4.456 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3csc(-c4ccco4)n3)C2)n1 ZINC000182846707 822377890 /nfs/dbraw/zinc/37/78/90/822377890.db2.gz QUPZVPVOKOJBAT-CYBMUJFWSA-N 1 2 382.411 4.456 20 0 GIADLO Cc1c([C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000178460336 822381188 /nfs/dbraw/zinc/38/11/88/822381188.db2.gz FZWSMRRZJZCVOK-CQSZACIVSA-N 1 2 375.451 4.422 20 0 GIADLO Cc1c([C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000178460322 822381292 /nfs/dbraw/zinc/38/12/92/822381292.db2.gz FZWSMRRZJZCVOK-AWEZNQCLSA-N 1 2 375.451 4.422 20 0 GIADLO CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000178468558 822382322 /nfs/dbraw/zinc/38/23/22/822382322.db2.gz NURQLGGSWIJJFW-KRWDZBQOSA-N 1 2 382.508 4.059 20 0 GIADLO CCOc1ccc(Oc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)cc1 ZINC000178470031 822382347 /nfs/dbraw/zinc/38/23/47/822382347.db2.gz KEXDQYHCFWQQLM-INIZCTEOSA-N 1 2 377.444 4.275 20 0 GIADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1OC ZINC000178477887 822383316 /nfs/dbraw/zinc/38/33/16/822383316.db2.gz MBNFEZBBSKAQIK-OAHLLOKOSA-N 1 2 395.478 4.368 20 0 GIADLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000178518933 822387499 /nfs/dbraw/zinc/38/74/99/822387499.db2.gz KGQAVWJSJGPSDH-AWEZNQCLSA-N 1 2 392.496 4.025 20 0 GIADLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000178518933 822387505 /nfs/dbraw/zinc/38/75/05/822387505.db2.gz KGQAVWJSJGPSDH-AWEZNQCLSA-N 1 2 392.496 4.025 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc4nc(C)ccc4c3)CC2)c1 ZINC000178523208 822387590 /nfs/dbraw/zinc/38/75/90/822387590.db2.gz CEPOXAKNABIWHY-GOSISDBHSA-N 1 2 389.499 4.071 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1F ZINC000045469859 822389300 /nfs/dbraw/zinc/38/93/00/822389300.db2.gz POEKGHSYFMDJII-MRXNPFEDSA-N 1 2 384.495 4.022 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1F ZINC000045469859 822389305 /nfs/dbraw/zinc/38/93/05/822389305.db2.gz POEKGHSYFMDJII-MRXNPFEDSA-N 1 2 384.495 4.022 20 0 GIADLO O=C1Nc2ccccc2C12CCC(Nc1ccc(-n3cc[nH+]c3)c(F)c1)CC2 ZINC000182909762 822390833 /nfs/dbraw/zinc/39/08/33/822390833.db2.gz PNQRSMNSNQEBCM-UHFFFAOYSA-N 1 2 376.435 4.256 20 0 GIADLO Cc1c([C@@H](C)Nc2ccc(-n3cc[nH+]c3)c(F)c2)nnn1-c1ccc(F)cc1 ZINC000182910476 822391115 /nfs/dbraw/zinc/39/11/15/822391115.db2.gz YPNWPNHJTIZRCW-CYBMUJFWSA-N 1 2 380.402 4.213 20 0 GIADLO CC[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000182912447 822391507 /nfs/dbraw/zinc/39/15/07/822391507.db2.gz TYVHWENPKOAHCX-LJQANCHMSA-N 1 2 396.466 4.042 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@@H]1c1ccsc1 ZINC000045532775 822394222 /nfs/dbraw/zinc/39/42/22/822394222.db2.gz FHYGWYZLKBDMOZ-LJQANCHMSA-N 1 2 380.517 4.082 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045640557 822401906 /nfs/dbraw/zinc/40/19/06/822401906.db2.gz ZOHXLFHXPNFSGP-HNNXBMFYSA-N 1 2 376.485 4.374 20 0 GIADLO COc1ccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1 ZINC000045667262 822403668 /nfs/dbraw/zinc/40/36/68/822403668.db2.gz YTXLAQXIYSDBCN-UHFFFAOYSA-N 1 2 394.544 4.223 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@@H+](C)C3CCCC3)c2=S)c1 ZINC000045715309 822407357 /nfs/dbraw/zinc/40/73/57/822407357.db2.gz ZLIMYXXGYOIKQI-UHFFFAOYSA-N 1 2 385.537 4.071 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@H+](C)C3CCCC3)c2=S)c1 ZINC000045715309 822407359 /nfs/dbraw/zinc/40/73/59/822407359.db2.gz ZLIMYXXGYOIKQI-UHFFFAOYSA-N 1 2 385.537 4.071 20 0 GIADLO COCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000178790088 822410109 /nfs/dbraw/zinc/41/01/09/822410109.db2.gz ZPNNRILMOGKYLH-MOPGFXCFSA-N 1 2 391.874 4.192 20 0 GIADLO COCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000178790088 822410112 /nfs/dbraw/zinc/41/01/12/822410112.db2.gz ZPNNRILMOGKYLH-MOPGFXCFSA-N 1 2 391.874 4.192 20 0 GIADLO COc1ccccc1-c1csc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000045742506 822410337 /nfs/dbraw/zinc/41/03/37/822410337.db2.gz UZOPAESFKIXQTJ-UHFFFAOYSA-N 1 2 390.468 4.316 20 0 GIADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000045761315 822411301 /nfs/dbraw/zinc/41/13/01/822411301.db2.gz WNKFTPYAAKWXMY-GOSISDBHSA-N 1 2 381.520 4.066 20 0 GIADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178808379 822412477 /nfs/dbraw/zinc/41/24/77/822412477.db2.gz ODFQMZVOKZRCFA-VDBVYFBLSA-N 1 2 399.343 4.190 20 0 GIADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178808379 822412479 /nfs/dbraw/zinc/41/24/79/822412479.db2.gz ODFQMZVOKZRCFA-VDBVYFBLSA-N 1 2 399.343 4.190 20 0 GIADLO CC(C)=CCC[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000453853711 822416622 /nfs/dbraw/zinc/41/66/22/822416622.db2.gz UDPSSJZSHXNUDK-QGZVFWFLSA-N 1 2 394.519 4.076 20 0 GIADLO CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000045860311 822419403 /nfs/dbraw/zinc/41/94/03/822419403.db2.gz MUBVUUJCUWIITF-UHFFFAOYSA-N 1 2 378.432 4.472 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)Cc1cccs1 ZINC000045911447 822423230 /nfs/dbraw/zinc/42/32/30/822423230.db2.gz GFZIWPDUWZBMIC-MRXNPFEDSA-N 1 2 385.514 4.212 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)Cc1cccs1 ZINC000045911447 822423232 /nfs/dbraw/zinc/42/32/32/822423232.db2.gz GFZIWPDUWZBMIC-MRXNPFEDSA-N 1 2 385.514 4.212 20 0 GIADLO Cc1cc(C)c(CNC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)c[nH+]1 ZINC000454026794 822423260 /nfs/dbraw/zinc/42/32/60/822423260.db2.gz IZZFTSUCFXWYAO-UHFFFAOYSA-N 1 2 397.544 4.129 20 0 GIADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000183115658 822426515 /nfs/dbraw/zinc/42/65/15/822426515.db2.gz NQXMDEBFMCXCKQ-SIBVEZHUSA-N 1 2 387.936 4.044 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000178993827 822427375 /nfs/dbraw/zinc/42/73/75/822427375.db2.gz CTCNZMFZUNVAJC-JTQLQIEISA-N 1 2 381.329 4.467 20 0 GIADLO C[S@](=O)C[C@@H]([NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccccc1 ZINC000183129393 822428230 /nfs/dbraw/zinc/42/82/30/822428230.db2.gz LPCNFWIZCQMGEX-WENCSYSZSA-N 1 2 392.524 4.076 20 0 GIADLO COc1ccccc1-c1nc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cs1 ZINC000183156776 822432871 /nfs/dbraw/zinc/43/28/71/822432871.db2.gz LIVORHWYHDIFSE-WXTAPIANSA-N 1 2 386.542 4.028 20 0 GIADLO O=C(C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)Nc1cc(F)cc(F)c1 ZINC000179068185 822434939 /nfs/dbraw/zinc/43/49/39/822434939.db2.gz SCXSLJLNQDVEFV-HXUWFJFHSA-N 1 2 387.817 4.331 20 0 GIADLO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019283 822435302 /nfs/dbraw/zinc/43/53/02/822435302.db2.gz XSHIQROAWCEFRS-UHFFFAOYSA-N 1 2 392.547 4.289 20 0 GIADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[NH2+][C@H](c2ccccc2)C2CC2)n1 ZINC000179108146 822438808 /nfs/dbraw/zinc/43/88/08/822438808.db2.gz JKHJUUUJIOGNFL-QGZVFWFLSA-N 1 2 386.496 4.070 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[C@H]1c1ccc(F)cc1F ZINC000454209161 822439130 /nfs/dbraw/zinc/43/91/30/822439130.db2.gz BUEUJKBPUKFCPB-NRFANRHFSA-N 1 2 396.441 4.256 20 0 GIADLO CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)c12 ZINC000046105574 822441331 /nfs/dbraw/zinc/44/13/31/822441331.db2.gz WSZJEUDZFDLVEI-UHFFFAOYSA-N 1 2 387.443 4.491 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(C)(CC(F)(F)F)C3)n2)C1 ZINC000454280884 822449888 /nfs/dbraw/zinc/44/98/88/822449888.db2.gz RPEFJYDAJDNKED-GFCCVEGCSA-N 1 2 390.475 4.181 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(C)(CC(F)(F)F)C3)n2)C1 ZINC000454280884 822449889 /nfs/dbraw/zinc/44/98/89/822449889.db2.gz RPEFJYDAJDNKED-GFCCVEGCSA-N 1 2 390.475 4.181 20 0 GIADLO CCc1cc(=O)c2cc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)ccc2[nH]1 ZINC000183303558 822455855 /nfs/dbraw/zinc/45/58/55/822455855.db2.gz ICGVREWCIGCWAE-QFIPXVFZSA-N 1 2 389.499 4.084 20 0 GIADLO CCc1cc(=O)c2cc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)ccc2[nH]1 ZINC000183303558 822455859 /nfs/dbraw/zinc/45/58/59/822455859.db2.gz ICGVREWCIGCWAE-QFIPXVFZSA-N 1 2 389.499 4.084 20 0 GIADLO COc1cc(OC)c(OC)cc1C[N@H+](C)Cc1ccc(Br)s1 ZINC000183304971 822456259 /nfs/dbraw/zinc/45/62/59/822456259.db2.gz TXSPQSWNSZNCPG-UHFFFAOYSA-N 1 2 386.311 4.168 20 0 GIADLO COc1cc(OC)c(OC)cc1C[N@@H+](C)Cc1ccc(Br)s1 ZINC000183304971 822456260 /nfs/dbraw/zinc/45/62/60/822456260.db2.gz TXSPQSWNSZNCPG-UHFFFAOYSA-N 1 2 386.311 4.168 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2csc(-c3ccco3)n2)C[C@@H](C)O1 ZINC000046340780 822462724 /nfs/dbraw/zinc/46/27/24/822462724.db2.gz XLJMRNIZQXNMJK-HUUCEWRRSA-N 1 2 397.500 4.265 20 0 GIADLO Cc1ccc(CSCC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000046341351 822463241 /nfs/dbraw/zinc/46/32/41/822463241.db2.gz DJBWFCFIDSOSCE-OALUTQOASA-N 1 2 398.572 4.476 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc3cccnc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000179318965 822465536 /nfs/dbraw/zinc/46/55/36/822465536.db2.gz UVZVDVJDRMDFGF-QUCCMNQESA-N 1 2 382.414 4.080 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc3cccnc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000179318965 822465538 /nfs/dbraw/zinc/46/55/38/822465538.db2.gz UVZVDVJDRMDFGF-QUCCMNQESA-N 1 2 382.414 4.080 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C)ccc2Br)c1C ZINC000179351770 822469873 /nfs/dbraw/zinc/46/98/73/822469873.db2.gz GSJJVIXCGLKNSF-UHFFFAOYSA-N 1 2 392.297 4.442 20 0 GIADLO Cc1ncc(C[N@@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)s1 ZINC000179382257 822474420 /nfs/dbraw/zinc/47/44/20/822474420.db2.gz QXEJOBAXECVLTH-UHFFFAOYSA-N 1 2 377.311 4.032 20 0 GIADLO Cc1ncc(C[N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)s1 ZINC000179382257 822474424 /nfs/dbraw/zinc/47/44/24/822474424.db2.gz QXEJOBAXECVLTH-UHFFFAOYSA-N 1 2 377.311 4.032 20 0 GIADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Br)cc1F ZINC000046469164 822475964 /nfs/dbraw/zinc/47/59/64/822475964.db2.gz YGJQEHAIKLPQLE-AWEZNQCLSA-N 1 2 383.265 4.021 20 0 GIADLO Cc1ccc(Br)cc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046468097 822475924 /nfs/dbraw/zinc/47/59/24/822475924.db2.gz GQKUWZCQJRYXHV-OAHLLOKOSA-N 1 2 379.302 4.190 20 0 GIADLO Cc1ccc(Br)cc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046468094 822475976 /nfs/dbraw/zinc/47/59/76/822475976.db2.gz GQKUWZCQJRYXHV-HNNXBMFYSA-N 1 2 379.302 4.190 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)c2cnc(-c3ccncc3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000179423073 822480370 /nfs/dbraw/zinc/48/03/70/822480370.db2.gz NGPKFUITADAMGU-AEFFLSMTSA-N 1 2 398.919 4.034 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)c2cnc(-c3ccncc3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000179423073 822480371 /nfs/dbraw/zinc/48/03/71/822480371.db2.gz NGPKFUITADAMGU-AEFFLSMTSA-N 1 2 398.919 4.034 20 0 GIADLO O=[S@@](Cc1ccccc1)Cc1cccc(NCc2cccc3[nH+]ccn32)c1 ZINC000179430293 822481412 /nfs/dbraw/zinc/48/14/12/822481412.db2.gz WXNJKOIRPRUZHG-MHZLTWQESA-N 1 2 375.497 4.395 20 0 GIADLO O=S(=O)(Cc1cccc(NCc2cccc3[nH+]ccn32)c1)C1CCCCC1 ZINC000179430253 822481421 /nfs/dbraw/zinc/48/14/21/822481421.db2.gz LSUGYSQFNBCIFZ-UHFFFAOYSA-N 1 2 383.517 4.194 20 0 GIADLO COc1ccccc1[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccccn1 ZINC000179481768 822488996 /nfs/dbraw/zinc/48/89/96/822488996.db2.gz CGRBXXYEUJVLRR-MWTRTKDXSA-N 1 2 375.472 4.489 20 0 GIADLO Cc1ccccc1CCN(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454517537 822489464 /nfs/dbraw/zinc/48/94/64/822489464.db2.gz UVNYEVPVSKJMKD-BGYRXZFFSA-N 1 2 395.547 4.311 20 0 GIADLO Cc1ccccc1CCN(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454517537 822489465 /nfs/dbraw/zinc/48/94/65/822489465.db2.gz UVNYEVPVSKJMKD-BGYRXZFFSA-N 1 2 395.547 4.311 20 0 GIADLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000179489531 822490222 /nfs/dbraw/zinc/49/02/22/822490222.db2.gz NTICRVYKABWISR-INIZCTEOSA-N 1 2 396.343 4.360 20 0 GIADLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000179489531 822490223 /nfs/dbraw/zinc/49/02/23/822490223.db2.gz NTICRVYKABWISR-INIZCTEOSA-N 1 2 396.343 4.360 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)C[C@@H](C)O1 ZINC000454523320 822491070 /nfs/dbraw/zinc/49/10/70/822491070.db2.gz ZUCOGEFPZXKBNI-VGUOSERISA-N 1 2 385.552 4.338 20 0 GIADLO CC(C)Oc1ccccc1[C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046648122 822498106 /nfs/dbraw/zinc/49/81/06/822498106.db2.gz QRAIHRPHTVBRRQ-GOSISDBHSA-N 1 2 392.503 4.279 20 0 GIADLO Cc1cccc([C@@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c2ccccn2)c1 ZINC000179534630 822498959 /nfs/dbraw/zinc/49/89/59/822498959.db2.gz RPUQDSZHRVPUIC-OPAMFIHVSA-N 1 2 398.503 4.373 20 0 GIADLO Cc1cc2ncc([C@H](C)[NH2+][C@@H](c3cccc(F)c3)c3ccccn3)c(C)n2n1 ZINC000179553533 822502393 /nfs/dbraw/zinc/50/23/93/822502393.db2.gz HJDQIDFURKPBBN-NYHFZMIOSA-N 1 2 375.451 4.320 20 0 GIADLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCO1 ZINC000183629594 822503476 /nfs/dbraw/zinc/50/34/76/822503476.db2.gz DKAWOCNKONRHKI-QZTJIDSGSA-N 1 2 389.540 4.113 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179564616 822504331 /nfs/dbraw/zinc/50/43/31/822504331.db2.gz GZBSOQIELABZML-PTDNTZEXSA-N 1 2 394.277 4.102 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)/C=C/c2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179564616 822504335 /nfs/dbraw/zinc/50/43/35/822504335.db2.gz GZBSOQIELABZML-PTDNTZEXSA-N 1 2 394.277 4.102 20 0 GIADLO CCOc1ccc(-c2nc(C[NH2+][C@H](CO)c3ccccc3)cs2)cc1OC ZINC000183635498 822504469 /nfs/dbraw/zinc/50/44/69/822504469.db2.gz RABXUVDWNZMCQO-GOSISDBHSA-N 1 2 384.501 4.041 20 0 GIADLO CC(C)[C@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cccnc1 ZINC000454605707 822504948 /nfs/dbraw/zinc/50/49/48/822504948.db2.gz IEXRXXLUVCQPNU-KRWDZBQOSA-N 1 2 397.910 4.160 20 0 GIADLO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179567862 822504965 /nfs/dbraw/zinc/50/49/65/822504965.db2.gz OHAILZWPRMKPRC-SFHVURJKSA-N 1 2 381.501 4.165 20 0 GIADLO Cc1ncsc1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000046724081 822510017 /nfs/dbraw/zinc/51/00/17/822510017.db2.gz JYQVQOHYRAWRGJ-KRWDZBQOSA-N 1 2 383.542 4.042 20 0 GIADLO Cc1ncsc1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000046724081 822510022 /nfs/dbraw/zinc/51/00/22/822510022.db2.gz JYQVQOHYRAWRGJ-KRWDZBQOSA-N 1 2 383.542 4.042 20 0 GIADLO COc1ccccc1-c1nnc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)o1 ZINC000179606406 822511566 /nfs/dbraw/zinc/51/15/66/822511566.db2.gz MCDIUPBOOZYNLL-GFCCVEGCSA-N 1 2 375.375 4.197 20 0 GIADLO CC(C)([NH2+]Cc1nc(COc2ccc(F)cc2)no1)c1cccc(Cl)c1 ZINC000179607501 822511863 /nfs/dbraw/zinc/51/18/63/822511863.db2.gz VUURQSUQETUNOS-UHFFFAOYSA-N 1 2 375.831 4.466 20 0 GIADLO COCCN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000454687362 822517361 /nfs/dbraw/zinc/51/73/61/822517361.db2.gz SVUPKXRKTGAUPR-UHFFFAOYSA-N 1 2 390.846 4.116 20 0 GIADLO COc1ccc(Cl)c(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000183764238 822524622 /nfs/dbraw/zinc/52/46/22/822524622.db2.gz HLJMFUICLKMHOR-ZDUSSCGKSA-N 1 2 379.913 4.321 20 0 GIADLO COc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c2cccnc12 ZINC000183768335 822525684 /nfs/dbraw/zinc/52/56/84/822525684.db2.gz TURZWPUWGJNVFZ-OAHLLOKOSA-N 1 2 396.516 4.216 20 0 GIADLO O=C(C[C@H](O)c1cccc(F)c1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000179697052 822529824 /nfs/dbraw/zinc/52/98/24/822529824.db2.gz CSWDFEYSWZZBHP-FQEVSTJZSA-N 1 2 379.435 4.088 20 0 GIADLO Clc1ccc(-c2noc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)n2)cc1 ZINC000179730033 822537063 /nfs/dbraw/zinc/53/70/63/822537063.db2.gz ISXYPLMYDBVODF-HXUWFJFHSA-N 1 2 397.862 4.402 20 0 GIADLO Cc1cc2cc(C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)oc2c(Br)c1 ZINC000183861822 822537483 /nfs/dbraw/zinc/53/74/83/822537483.db2.gz CVEGMDRWBDHQNA-CQSZACIVSA-N 1 2 388.265 4.005 20 0 GIADLO Cc1ccc(CN(CCc2ccccc2)C(=O)N[C@H](C)Cn2cc[nH+]c2)s1 ZINC000047029183 822538394 /nfs/dbraw/zinc/53/83/94/822538394.db2.gz IFTRAPKNJJFMMG-QGZVFWFLSA-N 1 2 382.533 4.096 20 0 GIADLO Cc1ccc(CN(CCc2ccccc2)C(=O)N[C@@H](C)Cn2cc[nH+]c2)s1 ZINC000047029182 822538537 /nfs/dbraw/zinc/53/85/37/822538537.db2.gz IFTRAPKNJJFMMG-KRWDZBQOSA-N 1 2 382.533 4.096 20 0 GIADLO Cc1cccc(-c2noc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)n2)c1 ZINC000179749940 822542371 /nfs/dbraw/zinc/54/23/71/822542371.db2.gz CBGFBNRVTNHLTG-NRFANRHFSA-N 1 2 377.444 4.057 20 0 GIADLO Cc1nc(N2CCN(C(=O)Nc3ccccc3SC3CCCC3)CC2)cc[nH+]1 ZINC000183912237 822544934 /nfs/dbraw/zinc/54/49/34/822544934.db2.gz PHRDERPOKWSLNF-UHFFFAOYSA-N 1 2 397.548 4.174 20 0 GIADLO CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3-n3cc[nH+]c3)c12 ZINC000047108792 822545029 /nfs/dbraw/zinc/54/50/29/822545029.db2.gz KGHXMLIWFJQCTM-UHFFFAOYSA-N 1 2 387.443 4.491 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179762784 822546342 /nfs/dbraw/zinc/54/63/42/822546342.db2.gz WIMCMRZQRVWVCF-GFCCVEGCSA-N 1 2 398.413 4.214 20 0 GIADLO Cc1cnc(C(C)(C)[NH2+]Cc2cc3c(cc2Br)OCCO3)s1 ZINC000183933867 822549865 /nfs/dbraw/zinc/54/98/65/822549865.db2.gz VRPDZNBRDBQDHW-UHFFFAOYSA-N 1 2 383.311 4.010 20 0 GIADLO Cc1c(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cnn1C(C)C ZINC000179781419 822551720 /nfs/dbraw/zinc/55/17/20/822551720.db2.gz HVHZJFROWGABSR-UHFFFAOYSA-N 1 2 395.532 4.040 20 0 GIADLO Cc1c(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cnn1C(C)C ZINC000179781419 822551721 /nfs/dbraw/zinc/55/17/21/822551721.db2.gz HVHZJFROWGABSR-UHFFFAOYSA-N 1 2 395.532 4.040 20 0 GIADLO O=C(CC1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1)N1CCCC1 ZINC000179782268 822551986 /nfs/dbraw/zinc/55/19/86/822551986.db2.gz TUSHMQAINWHBCZ-UHFFFAOYSA-N 1 2 399.760 4.327 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC[C@H]1CCCC(F)(F)C1 ZINC000454920412 822557080 /nfs/dbraw/zinc/55/70/80/822557080.db2.gz JKYIIQHUWIBGIP-ZDUSSCGKSA-N 1 2 382.842 4.150 20 0 GIADLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c(C(C)(C)C)n1 ZINC000179840340 822564160 /nfs/dbraw/zinc/56/41/60/822564160.db2.gz GCHKTSOMLMUHTH-KRWDZBQOSA-N 1 2 392.341 4.054 20 0 GIADLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c(C(C)(C)C)n1 ZINC000179840340 822564161 /nfs/dbraw/zinc/56/41/61/822564161.db2.gz GCHKTSOMLMUHTH-KRWDZBQOSA-N 1 2 392.341 4.054 20 0 GIADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000179933125 822579618 /nfs/dbraw/zinc/57/96/18/822579618.db2.gz PTENZWNXYKDIIT-GFCCVEGCSA-N 1 2 380.847 4.094 20 0 GIADLO O=C(Nc1ccc(COC2CCCC2)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184114840 822580355 /nfs/dbraw/zinc/58/03/55/822580355.db2.gz NZCHABIULZCIRY-UHFFFAOYSA-N 1 2 394.519 4.285 20 0 GIADLO C[C@@H]1CN(c2ccc([NH2+]C3CCC4(CC3)c3ccccc3NC4=O)cc2)CCO1 ZINC000179950378 822584280 /nfs/dbraw/zinc/58/42/80/822584280.db2.gz XQFRUVMXKOFKJV-GBURSHPISA-N 1 2 391.515 4.156 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000184137698 822584314 /nfs/dbraw/zinc/58/43/14/822584314.db2.gz KMKZNPDXFLOBGX-XLIONFOSSA-N 1 2 379.529 4.202 20 0 GIADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047533658 822588117 /nfs/dbraw/zinc/58/81/17/822588117.db2.gz JKXQWFJFWUIKMV-UHFFFAOYSA-N 1 2 375.407 4.066 20 0 GIADLO Cc1csc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)n1 ZINC000184166745 822589300 /nfs/dbraw/zinc/58/93/00/822589300.db2.gz HBDCWSJBBXULHU-JKSUJKDBSA-N 1 2 393.512 4.360 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)C[C@H]1n1cc[nH+]c1 ZINC000455119620 822591729 /nfs/dbraw/zinc/59/17/29/822591729.db2.gz QSWLSUWGEYYITJ-QFBILLFUSA-N 1 2 377.448 4.185 20 0 GIADLO Cc1ccccc1CN(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000047569432 822591908 /nfs/dbraw/zinc/59/19/08/822591908.db2.gz SETSUEPPBCLVHT-OALUTQOASA-N 1 2 381.520 4.268 20 0 GIADLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1cccc(C2CC2)c1 ZINC000455121463 822592118 /nfs/dbraw/zinc/59/21/18/822592118.db2.gz VPXHQESMSJCRAK-ROUUACIJSA-N 1 2 378.520 4.108 20 0 GIADLO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000184192618 822593762 /nfs/dbraw/zinc/59/37/62/822593762.db2.gz WCMFPIPHPPVPMI-MAUKXSAKSA-N 1 2 376.522 4.332 20 0 GIADLO CCOc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000047601235 822595538 /nfs/dbraw/zinc/59/55/38/822595538.db2.gz HDJCKZBMYZKJPX-UHFFFAOYSA-N 1 2 379.913 4.150 20 0 GIADLO O=C(c1scnc1C1CCCC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000184220564 822598416 /nfs/dbraw/zinc/59/84/16/822598416.db2.gz HIJGINJJILPLLY-UHFFFAOYSA-N 1 2 387.524 4.288 20 0 GIADLO O=C(c1scnc1C1CCCC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000184220564 822598418 /nfs/dbraw/zinc/59/84/18/822598418.db2.gz HIJGINJJILPLLY-UHFFFAOYSA-N 1 2 387.524 4.288 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ncccc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180039381 822602691 /nfs/dbraw/zinc/60/26/91/822602691.db2.gz FKWCCCUEEFILRG-IRXDYDNUSA-N 1 2 376.863 4.140 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)Nc2ncccc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180039381 822602692 /nfs/dbraw/zinc/60/26/92/822602692.db2.gz FKWCCCUEEFILRG-IRXDYDNUSA-N 1 2 376.863 4.140 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 ZINC000184255843 822604269 /nfs/dbraw/zinc/60/42/69/822604269.db2.gz CKBTUGARTJDZAF-VIFPVBQESA-N 1 2 377.819 4.413 20 0 GIADLO CCC(C)(C)NC(=O)c1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000047812374 822612073 /nfs/dbraw/zinc/61/20/73/822612073.db2.gz NQTMQBCHHFNPDL-GOSISDBHSA-N 1 2 399.539 4.038 20 0 GIADLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000180122937 822619947 /nfs/dbraw/zinc/61/99/47/822619947.db2.gz UKRSXUWAPFQBQJ-BOFPYLFWSA-N 1 2 396.878 4.013 20 0 GIADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000047931493 822620503 /nfs/dbraw/zinc/62/05/03/822620503.db2.gz VBFGCJGLUHMUHX-LLVKDONJSA-N 1 2 394.422 4.152 20 0 GIADLO CC[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)c1nc(C)cs1 ZINC000184361709 822622227 /nfs/dbraw/zinc/62/22/27/822622227.db2.gz UOIPGUKGFDUPMU-ZDUSSCGKSA-N 1 2 383.311 4.226 20 0 GIADLO Cc1ccc(C2(C(=O)N3CC[NH+]([C@H](C)c4ccsc4)CC3)CCOCC2)cc1 ZINC000184369464 822623498 /nfs/dbraw/zinc/62/34/98/822623498.db2.gz QFRKHNWNZJQMIL-LJQANCHMSA-N 1 2 398.572 4.010 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)c1nc(C)cs1 ZINC000184372003 822623683 /nfs/dbraw/zinc/62/36/83/822623683.db2.gz BHCZXHJIXUIWEV-NSHDSACASA-N 1 2 378.548 4.316 20 0 GIADLO CCCCCS(=O)(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000184417518 822631136 /nfs/dbraw/zinc/63/11/36/822631136.db2.gz LAYOGXGZHPPVMI-UHFFFAOYSA-N 1 2 397.544 4.208 20 0 GIADLO COc1ccccc1[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccco1 ZINC000180180027 822633608 /nfs/dbraw/zinc/63/36/08/822633608.db2.gz XKGYLWYPIIIJRR-IBGZPJMESA-N 1 2 382.426 4.384 20 0 GIADLO Fc1cccc(OC[C@@H]([NH2+]Cc2ncc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000180207622 822639610 /nfs/dbraw/zinc/63/96/10/822639610.db2.gz WYLCDSQJFAEEMD-QGZVFWFLSA-N 1 2 379.357 4.478 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184483077 822643461 /nfs/dbraw/zinc/64/34/61/822643461.db2.gz YOBHRUNPEVHCBW-LLVKDONJSA-N 1 2 381.929 4.392 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1OC ZINC000184494631 822645211 /nfs/dbraw/zinc/64/52/11/822645211.db2.gz PJDLFYCNMUHNKN-STQMWFEESA-N 1 2 391.537 4.136 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1nc(C(C)(C)C)cs1 ZINC000184503169 822646710 /nfs/dbraw/zinc/64/67/10/822646710.db2.gz KQJPTKPBJRHGDT-NSHDSACASA-N 1 2 383.464 4.331 20 0 GIADLO COCCc1noc(C[NH2+][C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)n1 ZINC000184514784 822648636 /nfs/dbraw/zinc/64/86/36/822648636.db2.gz GVDZLKGASMNJIO-LLVKDONJSA-N 1 2 392.912 4.195 20 0 GIADLO Cc1ccc([C@H](NCc2cccnc2N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180266531 822651222 /nfs/dbraw/zinc/65/12/22/822651222.db2.gz YDIULQQNOQAXEV-XMMPIXPASA-N 1 2 386.543 4.021 20 0 GIADLO COc1cccc(F)c1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000184532284 822652082 /nfs/dbraw/zinc/65/20/82/822652082.db2.gz AXKBFAMYVXOREA-UHFFFAOYSA-N 1 2 378.447 4.475 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184530952 822652131 /nfs/dbraw/zinc/65/21/31/822652131.db2.gz DDXINQWMKOLKGD-KGLIPLIRSA-N 1 2 395.450 4.289 20 0 GIADLO COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455462355 822659164 /nfs/dbraw/zinc/65/91/64/822659164.db2.gz CAOFNIGKMVRAGD-IBGZPJMESA-N 1 2 383.492 4.229 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c(C)[nH+]1 ZINC000455470048 822660746 /nfs/dbraw/zinc/66/07/46/822660746.db2.gz AIVUTDBLZZAMKC-UHFFFAOYSA-N 1 2 381.402 4.091 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCOc3ccc(Br)cc32)c(C)[nH+]1 ZINC000455475050 822661643 /nfs/dbraw/zinc/66/16/43/822661643.db2.gz KNLDWQVBXXLWLK-OAHLLOKOSA-N 1 2 390.281 4.415 20 0 GIADLO CC(C)c1cccc(NC(=O)C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000184589317 822662312 /nfs/dbraw/zinc/66/23/12/822662312.db2.gz UVZZHBABYKLEST-QFIPXVFZSA-N 1 2 380.467 4.000 20 0 GIADLO COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455480487 822662625 /nfs/dbraw/zinc/66/26/25/822662625.db2.gz OBJOGCVLZKWYKD-HXUWFJFHSA-N 1 2 383.492 4.229 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c(C)[nH+]1 ZINC000455480569 822662736 /nfs/dbraw/zinc/66/27/36/822662736.db2.gz OGFCFTSKEZAKJJ-AWEZNQCLSA-N 1 2 381.480 4.173 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccco1 ZINC000184592169 822662763 /nfs/dbraw/zinc/66/27/63/822662763.db2.gz FRRQCZAMSXABPH-GFCCVEGCSA-N 1 2 377.655 4.156 20 0 GIADLO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184600665 822664070 /nfs/dbraw/zinc/66/40/70/822664070.db2.gz NCSNYVOAMQRYIT-JOCHJYFZSA-N 1 2 380.467 4.000 20 0 GIADLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(-c2cnn(C)c2C)no1 ZINC000184610492 822665492 /nfs/dbraw/zinc/66/54/92/822665492.db2.gz NXXDWFNZEGXSEM-OAQYLSRUSA-N 1 2 390.491 4.090 20 0 GIADLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(-c2cnn(C)c2C)no1 ZINC000184610492 822665494 /nfs/dbraw/zinc/66/54/94/822665494.db2.gz NXXDWFNZEGXSEM-OAQYLSRUSA-N 1 2 390.491 4.090 20 0 GIADLO Cc1cc(C)c(NC(=O)NCc2cccc(COCC(F)(F)F)c2)c(C)[nH+]1 ZINC000455496524 822665970 /nfs/dbraw/zinc/66/59/70/822665970.db2.gz OZLHTGIVCYNYIY-UHFFFAOYSA-N 1 2 381.398 4.407 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nn1-c1cccc(Cl)c1 ZINC000180349497 822667895 /nfs/dbraw/zinc/66/78/95/822667895.db2.gz GXMQSSWRXLYEAE-KDOFPFPSSA-N 1 2 398.898 4.146 20 0 GIADLO Cc1cc([C@@H](C)NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(C)s1 ZINC000048507413 822668593 /nfs/dbraw/zinc/66/85/93/822668593.db2.gz OINCIDDJHGXDRD-MRXNPFEDSA-N 1 2 382.533 4.213 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NNc3c(F)cccc3Cl)c2C1 ZINC000184656853 822671553 /nfs/dbraw/zinc/67/15/53/822671553.db2.gz XBLMILLYUXINQM-UHFFFAOYSA-N 1 2 398.869 4.162 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NNc3c(F)cccc3Cl)c2C1 ZINC000184656853 822671555 /nfs/dbraw/zinc/67/15/55/822671555.db2.gz XBLMILLYUXINQM-UHFFFAOYSA-N 1 2 398.869 4.162 20 0 GIADLO C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000184656651 822671580 /nfs/dbraw/zinc/67/15/80/822671580.db2.gz HLRCESORDJUIBI-XLIONFOSSA-N 1 2 387.483 4.347 20 0 GIADLO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180401426 822675765 /nfs/dbraw/zinc/67/57/65/822675765.db2.gz UQPFBTKCJVSGHK-SFHVURJKSA-N 1 2 387.443 4.388 20 0 GIADLO COc1ccc(-n2c(SCCCn3cc[nH+]c3)nnc2-c2ccccc2)cc1 ZINC000180431223 822680508 /nfs/dbraw/zinc/68/05/08/822680508.db2.gz CEQSWEFILZYOCE-UHFFFAOYSA-N 1 2 391.500 4.322 20 0 GIADLO Cc1c(-c2cc(C[NH2+][C@H](CC(F)(F)F)c3ccc(F)cc3)on2)cnn1C ZINC000184720713 822681871 /nfs/dbraw/zinc/68/18/71/822681871.db2.gz UPCMBCPXYCLMQF-QGZVFWFLSA-N 1 2 382.361 4.306 20 0 GIADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cs1 ZINC000184730014 822683164 /nfs/dbraw/zinc/68/31/64/822683164.db2.gz JZBZOFPVVJAQIR-RQJHMYQMSA-N 1 2 393.381 4.079 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cs1 ZINC000184734123 822683674 /nfs/dbraw/zinc/68/36/74/822683674.db2.gz MGMSWVQOOKFXLZ-LLVKDONJSA-N 1 2 386.348 4.322 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Br)o3)o2)cc1F ZINC000180452207 822684851 /nfs/dbraw/zinc/68/48/51/822684851.db2.gz SHOOCAVWKXRANA-SECBINFHSA-N 1 2 396.216 4.091 20 0 GIADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Cc1ccccc1)c1ccc(C)o1 ZINC000184753823 822686276 /nfs/dbraw/zinc/68/62/76/822686276.db2.gz VMBBTMCXUJARTA-XMSQKQJNSA-N 1 2 392.499 4.483 20 0 GIADLO C[C@@H]([NH2+]Cc1cccc(Cl)n1)c1cc2c(cc1Br)OCCO2 ZINC000180469256 822687635 /nfs/dbraw/zinc/68/76/35/822687635.db2.gz ZRULSEQGIXUOGN-SNVBAGLBSA-N 1 2 383.673 4.120 20 0 GIADLO CSc1ccc([C@@H](C)NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000048966584 822689969 /nfs/dbraw/zinc/68/99/69/822689969.db2.gz LEWAUVWSZJUKMF-MRXNPFEDSA-N 1 2 380.517 4.214 20 0 GIADLO CC(C)(C)c1nc2ccc(NC(=O)N3CCC[C@H]3Cn3cc[nH+]c3)cc2s1 ZINC000180501956 822692006 /nfs/dbraw/zinc/69/20/06/822692006.db2.gz IEHLLZRRLKELDN-HNNXBMFYSA-N 1 2 383.521 4.487 20 0 GIADLO Cc1cccc(C[NH+](Cc2ccc(-n3cncn3)c(C)c2)Cc2cccc(C)n2)n1 ZINC000180521629 822695552 /nfs/dbraw/zinc/69/55/52/822695552.db2.gz LALUOISWVUCURL-UHFFFAOYSA-N 1 2 398.514 4.185 20 0 GIADLO COc1cc(Br)c(C[NH2+][C@@H](C)c2cccnc2Cl)cc1OC ZINC000180543546 822699336 /nfs/dbraw/zinc/69/93/36/822699336.db2.gz AUPDKHPQHJDCSE-JTQLQIEISA-N 1 2 385.689 4.366 20 0 GIADLO CCOc1ccc(SCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000049420410 822700732 /nfs/dbraw/zinc/70/07/32/822700732.db2.gz UOPQQZXQHBBGKU-UHFFFAOYSA-N 1 2 391.562 4.259 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCc2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000184861975 822702384 /nfs/dbraw/zinc/70/23/84/822702384.db2.gz OBFMEEDMOCTWNO-SJORKVTESA-N 1 2 375.472 4.360 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)NCc1ccccc1Cl ZINC000184869444 822703983 /nfs/dbraw/zinc/70/39/83/822703983.db2.gz JQPOOMTYPGPEQM-GJZGRUSLSA-N 1 2 383.879 4.351 20 0 GIADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184872718 822704651 /nfs/dbraw/zinc/70/46/51/822704651.db2.gz MSHMPTZTEJZFAE-LSDHHAIUSA-N 1 2 399.441 4.490 20 0 GIADLO Cc1c(O)ccc2c(C[NH2+][C@@H](C)c3ncc(-c4ccccc4)o3)cc(=O)oc12 ZINC000184873636 822704933 /nfs/dbraw/zinc/70/49/33/822704933.db2.gz CBZLGXHPLWRADN-AWEZNQCLSA-N 1 2 376.412 4.313 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1OC ZINC000184890481 822708075 /nfs/dbraw/zinc/70/80/75/822708075.db2.gz KUDUZZKFJYTFDO-GJZGRUSLSA-N 1 2 395.459 4.037 20 0 GIADLO Cc1cnc(CN2CC[N@H+](Cc3ncc(C)s3)C3(CCCCC3)C2)s1 ZINC000180596363 822708097 /nfs/dbraw/zinc/70/80/97/822708097.db2.gz LQRHDWDPQINSJV-UHFFFAOYSA-N 1 2 376.595 4.237 20 0 GIADLO Cc1cnc(CN2CC[N@@H+](Cc3ncc(C)s3)C3(CCCCC3)C2)s1 ZINC000180596363 822708099 /nfs/dbraw/zinc/70/80/99/822708099.db2.gz LQRHDWDPQINSJV-UHFFFAOYSA-N 1 2 376.595 4.237 20 0 GIADLO Cc1cnc(CN2CC[N@H+](Cc3ncc(C)s3)CC23CCCCC3)s1 ZINC000180596363 822708101 /nfs/dbraw/zinc/70/81/01/822708101.db2.gz LQRHDWDPQINSJV-UHFFFAOYSA-N 1 2 376.595 4.237 20 0 GIADLO Cc1cnc(CN2CC[N@@H+](Cc3ncc(C)s3)CC23CCCCC3)s1 ZINC000180596363 822708102 /nfs/dbraw/zinc/70/81/02/822708102.db2.gz LQRHDWDPQINSJV-UHFFFAOYSA-N 1 2 376.595 4.237 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1OC ZINC000184890538 822708306 /nfs/dbraw/zinc/70/83/06/822708306.db2.gz KUDUZZKFJYTFDO-HUUCEWRRSA-N 1 2 395.459 4.037 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184896628 822709360 /nfs/dbraw/zinc/70/93/60/822709360.db2.gz LHOJDFRKQDFVKJ-HOTGVXAUSA-N 1 2 379.460 4.336 20 0 GIADLO Cn1cc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(C2CCCCC2)n1 ZINC000455711103 822709808 /nfs/dbraw/zinc/70/98/08/822709808.db2.gz AEZFMUMPNUARNO-UHFFFAOYSA-N 1 2 398.555 4.389 20 0 GIADLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1Cl ZINC000184904109 822710654 /nfs/dbraw/zinc/71/06/54/822710654.db2.gz NATGRTPOHRCRGO-ZDUSSCGKSA-N 1 2 385.851 4.293 20 0 GIADLO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc4c(c3)OCCO4)cs2)cc1 ZINC000049967755 822712706 /nfs/dbraw/zinc/71/27/06/822712706.db2.gz TUHLLGMQEVQVMQ-UHFFFAOYSA-N 1 2 382.485 4.222 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc4c(c3)OCCO4)cs2)cc1 ZINC000049967755 822712709 /nfs/dbraw/zinc/71/27/09/822712709.db2.gz TUHLLGMQEVQVMQ-UHFFFAOYSA-N 1 2 382.485 4.222 20 0 GIADLO COc1cccc(C[N@H+](C)Cc2cc(Br)cn2C)c1OC(F)F ZINC000180614415 822712846 /nfs/dbraw/zinc/71/28/46/822712846.db2.gz JNXQUIXRDNFXNJ-UHFFFAOYSA-N 1 2 389.240 4.030 20 0 GIADLO COc1cccc(C[N@@H+](C)Cc2cc(Br)cn2C)c1OC(F)F ZINC000180614415 822712849 /nfs/dbraw/zinc/71/28/49/822712849.db2.gz JNXQUIXRDNFXNJ-UHFFFAOYSA-N 1 2 389.240 4.030 20 0 GIADLO Cc1cc([C@@H](C)NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c(C)s1 ZINC000049977628 822712874 /nfs/dbraw/zinc/71/28/74/822712874.db2.gz HVMRPNWLEGAPPH-OAHLLOKOSA-N 1 2 396.516 4.081 20 0 GIADLO CCCCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(Cl)c1 ZINC000184963085 822719100 /nfs/dbraw/zinc/71/91/00/822719100.db2.gz GJHNVHKAAALERE-UHFFFAOYSA-N 1 2 387.911 4.444 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050231514 822721923 /nfs/dbraw/zinc/72/19/23/822721923.db2.gz PYFSJCIGBNSTPR-OAQYLSRUSA-N 1 2 384.495 4.316 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050231514 822721925 /nfs/dbraw/zinc/72/19/25/822721925.db2.gz PYFSJCIGBNSTPR-OAQYLSRUSA-N 1 2 384.495 4.316 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(C)c1 ZINC000050231471 822721983 /nfs/dbraw/zinc/72/19/83/822721983.db2.gz HEGRMEHLRHOBOR-NRFANRHFSA-N 1 2 384.495 4.371 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(C)c1 ZINC000050231471 822721985 /nfs/dbraw/zinc/72/19/85/822721985.db2.gz HEGRMEHLRHOBOR-NRFANRHFSA-N 1 2 384.495 4.371 20 0 GIADLO CCOc1ccc(Cl)c(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000455764734 822722086 /nfs/dbraw/zinc/72/20/86/822722086.db2.gz FLUFMRLPXPITKY-UHFFFAOYSA-N 1 2 379.913 4.150 20 0 GIADLO CCOc1ccc(Cl)c(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000455765830 822722411 /nfs/dbraw/zinc/72/24/11/822722411.db2.gz GHLDQPBSSCIYCL-OAHLLOKOSA-N 1 2 388.899 4.044 20 0 GIADLO CCOc1ccc(Cl)c(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000455770889 822723498 /nfs/dbraw/zinc/72/34/98/822723498.db2.gz KVAWAXVIOZJDGX-UHFFFAOYSA-N 1 2 388.899 4.446 20 0 GIADLO O=c1scc(-c2ccccn2)n1C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185007219 822724712 /nfs/dbraw/zinc/72/47/12/822724712.db2.gz AXDQGKBSDKQZFN-UHFFFAOYSA-N 1 2 385.920 4.462 20 0 GIADLO COCCOc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000185012369 822725160 /nfs/dbraw/zinc/72/51/60/822725160.db2.gz NCNHKDBXKKBHGA-LBPRGKRZSA-N 1 2 398.272 4.170 20 0 GIADLO Cn1cc(-c2cc(C[N@H+](Cc3csc(Br)c3)C3CC3)on2)cn1 ZINC000185041380 822728214 /nfs/dbraw/zinc/72/82/14/822728214.db2.gz SSMHHWJSDODLKI-UHFFFAOYSA-N 1 2 393.310 4.064 20 0 GIADLO Cn1cc(-c2cc(C[N@@H+](Cc3csc(Br)c3)C3CC3)on2)cn1 ZINC000185041380 822728217 /nfs/dbraw/zinc/72/82/17/822728217.db2.gz SSMHHWJSDODLKI-UHFFFAOYSA-N 1 2 393.310 4.064 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)c1C ZINC000050448107 822729653 /nfs/dbraw/zinc/72/96/53/822729653.db2.gz IQZHOGWYPWTALU-UHFFFAOYSA-N 1 2 394.475 4.174 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](Oc2ccccc2)c2ccccc2)c1C ZINC000050448054 822729690 /nfs/dbraw/zinc/72/96/90/822729690.db2.gz PDWLEQDOFMNGAX-JOCHJYFZSA-N 1 2 376.456 4.144 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1nccs1 ZINC000185058232 822730578 /nfs/dbraw/zinc/73/05/78/822730578.db2.gz FPRHSZNYVMCPRC-CYBMUJFWSA-N 1 2 376.482 4.085 20 0 GIADLO Cc1cc(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)ccc1Cl ZINC000185174619 822745605 /nfs/dbraw/zinc/74/56/05/822745605.db2.gz NLAHKVDDQYDWSK-UHFFFAOYSA-N 1 2 384.867 4.246 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000185219926 822750668 /nfs/dbraw/zinc/75/06/68/822750668.db2.gz OUMQBCMMJVVUOK-QWHCGFSZSA-N 1 2 375.325 4.171 20 0 GIADLO CCOc1ccc([C@@H]2CCCN2C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000051334000 822756461 /nfs/dbraw/zinc/75/64/61/822756461.db2.gz MFKFOXKDDSRMBM-FQEVSTJZSA-N 1 2 383.492 4.152 20 0 GIADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C2CC2)n1 ZINC000455999188 822764329 /nfs/dbraw/zinc/76/43/29/822764329.db2.gz KXJTWKZDNSXIAH-AZUAARDMSA-N 1 2 387.886 4.235 20 0 GIADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C2CC2)n1 ZINC000455999188 822764331 /nfs/dbraw/zinc/76/43/31/822764331.db2.gz KXJTWKZDNSXIAH-AZUAARDMSA-N 1 2 387.886 4.235 20 0 GIADLO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)cc1OC ZINC000051679776 822773469 /nfs/dbraw/zinc/77/34/69/822773469.db2.gz KAWTYOMRWJRSMY-CYBMUJFWSA-N 1 2 396.940 4.036 20 0 GIADLO COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)cc1OC ZINC000051679776 822773473 /nfs/dbraw/zinc/77/34/73/822773473.db2.gz KAWTYOMRWJRSMY-CYBMUJFWSA-N 1 2 396.940 4.036 20 0 GIADLO CCCOc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cn1 ZINC000185397966 822778667 /nfs/dbraw/zinc/77/86/67/822778667.db2.gz ROGUVHWROSVHLS-NSHDSACASA-N 1 2 383.261 4.328 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccc(NC(N)=O)cc1 ZINC000185445855 822784991 /nfs/dbraw/zinc/78/49/91/822784991.db2.gz VHNNQRUHCBWZEQ-UWVGGRQHSA-N 1 2 396.260 4.196 20 0 GIADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000052008289 822786699 /nfs/dbraw/zinc/78/66/99/822786699.db2.gz DUUYIJFVQPCUMR-INIZCTEOSA-N 1 2 382.291 4.085 20 0 GIADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000052008289 822786702 /nfs/dbraw/zinc/78/67/02/822786702.db2.gz DUUYIJFVQPCUMR-INIZCTEOSA-N 1 2 382.291 4.085 20 0 GIADLO COc1ccc(N(CC2CC2)C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000456183156 822786971 /nfs/dbraw/zinc/78/69/71/822786971.db2.gz UHFWXMLDHHRKFD-UHFFFAOYSA-N 1 2 385.414 4.075 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1cn(-c2ccccc2)nn1 ZINC000185467885 822787713 /nfs/dbraw/zinc/78/77/13/822787713.db2.gz QPFNLFINADWFEF-SFHVURJKSA-N 1 2 397.482 4.370 20 0 GIADLO Cc1cccn2cc(C[NH2+]Cc3cc(Cl)ccc3OC[C@H]3CCCO3)nc12 ZINC000174425857 822788363 /nfs/dbraw/zinc/78/83/63/822788363.db2.gz RCPRINGBSVSNID-LJQANCHMSA-N 1 2 385.895 4.144 20 0 GIADLO OC1(c2ccccc2)CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000185482685 822789241 /nfs/dbraw/zinc/78/92/41/822789241.db2.gz QQLSHMYACZAIKX-UHFFFAOYSA-N 1 2 398.503 4.345 20 0 GIADLO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(Br)cc(F)c1O ZINC000185525784 822793475 /nfs/dbraw/zinc/79/34/75/822793475.db2.gz YRGTYJYCTYUSSR-TZMCWYRMSA-N 1 2 382.273 4.111 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847863 822812709 /nfs/dbraw/zinc/81/27/09/822812709.db2.gz UXTBQJYUSSPXES-VIFPVBQESA-N 1 2 388.718 4.018 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847863 822812713 /nfs/dbraw/zinc/81/27/13/822812713.db2.gz UXTBQJYUSSPXES-VIFPVBQESA-N 1 2 388.718 4.018 20 0 GIADLO COc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1Cl ZINC000185589523 822799753 /nfs/dbraw/zinc/79/97/53/822799753.db2.gz OZBZDZIWWUEEFC-ZDUSSCGKSA-N 1 2 379.913 4.321 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000174524890 822800732 /nfs/dbraw/zinc/80/07/32/822800732.db2.gz LXHTZGBAOFRZIB-UHFFFAOYSA-N 1 2 378.520 4.032 20 0 GIADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000052560282 822803704 /nfs/dbraw/zinc/80/37/04/822803704.db2.gz DUUWYRIXJNCRNX-LJQANCHMSA-N 1 2 391.515 4.447 20 0 GIADLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000052746785 822809257 /nfs/dbraw/zinc/80/92/57/822809257.db2.gz IVKXLKVBTVDCFF-UHFFFAOYSA-N 1 2 381.501 4.106 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803406 822811247 /nfs/dbraw/zinc/81/12/47/822811247.db2.gz NJWKMWMEIKASAL-LJQANCHMSA-N 1 2 380.517 4.326 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803406 822811250 /nfs/dbraw/zinc/81/12/50/822811250.db2.gz NJWKMWMEIKASAL-LJQANCHMSA-N 1 2 380.517 4.326 20 0 GIADLO C[N@H+](Cc1csc2ccccc12)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000052805652 822811313 /nfs/dbraw/zinc/81/13/13/822811313.db2.gz VECFITKJVDMCHC-UHFFFAOYSA-N 1 2 381.526 4.320 20 0 GIADLO C[N@@H+](Cc1csc2ccccc12)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000052805652 822811314 /nfs/dbraw/zinc/81/13/14/822811314.db2.gz VECFITKJVDMCHC-UHFFFAOYSA-N 1 2 381.526 4.320 20 0 GIADLO Cc1ccc(C[N@@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)[C@H]2CCc3ccccc32)cc1 ZINC000052829523 822812164 /nfs/dbraw/zinc/81/21/64/822812164.db2.gz PHSYXHKYJPNHMJ-NRFANRHFSA-N 1 2 399.498 4.067 20 0 GIADLO Cc1ccc(C[N@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)[C@H]2CCc3ccccc32)cc1 ZINC000052829523 822812165 /nfs/dbraw/zinc/81/21/65/822812165.db2.gz PHSYXHKYJPNHMJ-NRFANRHFSA-N 1 2 399.498 4.067 20 0 GIADLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000052823850 822812228 /nfs/dbraw/zinc/81/22/28/822812228.db2.gz HNECYXUEJHXNSV-OAHLLOKOSA-N 1 2 388.450 4.133 20 0 GIADLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000052823850 822812232 /nfs/dbraw/zinc/81/22/32/822812232.db2.gz HNECYXUEJHXNSV-OAHLLOKOSA-N 1 2 388.450 4.133 20 0 GIADLO CC(C)c1nc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)no1 ZINC000052888164 822814002 /nfs/dbraw/zinc/81/40/02/822814002.db2.gz DGXSYMLPVJRWKJ-UHFFFAOYSA-N 1 2 398.536 4.052 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cccc(Br)c3)n2)c1 ZINC000174656748 822819162 /nfs/dbraw/zinc/81/91/62/822819162.db2.gz JNDOIHPGCWMUII-LBPRGKRZSA-N 1 2 388.265 4.359 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174664290 822820497 /nfs/dbraw/zinc/82/04/97/822820497.db2.gz OUWCCEVRQWLGFK-FOIQADDNSA-N 1 2 397.450 4.284 20 0 GIADLO CC(=O)Nc1ccc2c(C[N@H+](Cc3ccc(F)cc3F)C3CC3)cc(=O)oc2c1 ZINC000053131912 822823108 /nfs/dbraw/zinc/82/31/08/822823108.db2.gz AXPBOTQBHGOHMQ-UHFFFAOYSA-N 1 2 398.409 4.194 20 0 GIADLO CC(=O)Nc1ccc2c(C[N@@H+](Cc3ccc(F)cc3F)C3CC3)cc(=O)oc2c1 ZINC000053131912 822823111 /nfs/dbraw/zinc/82/31/11/822823111.db2.gz AXPBOTQBHGOHMQ-UHFFFAOYSA-N 1 2 398.409 4.194 20 0 GIADLO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185834107 822825524 /nfs/dbraw/zinc/82/55/24/822825524.db2.gz XEUMSERZAPZZDA-PEBVRCNWSA-N 1 2 382.273 4.457 20 0 GIADLO CC(C)OCc1c2ccccc2oc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053266420 822828341 /nfs/dbraw/zinc/82/83/41/822828341.db2.gz BAKBUTNMFKZPKZ-UHFFFAOYSA-N 1 2 398.528 4.207 20 0 GIADLO CC(C)OCc1c2ccccc2oc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053266420 822828345 /nfs/dbraw/zinc/82/83/45/822828345.db2.gz BAKBUTNMFKZPKZ-UHFFFAOYSA-N 1 2 398.528 4.207 20 0 GIADLO COCC1=CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000185871738 822828851 /nfs/dbraw/zinc/82/88/51/822828851.db2.gz GUGHUEMDUGCVCA-QGZVFWFLSA-N 1 2 382.529 4.443 20 0 GIADLO COCC1=CC[N@H+]([C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000185871738 822828854 /nfs/dbraw/zinc/82/88/54/822828854.db2.gz GUGHUEMDUGCVCA-QGZVFWFLSA-N 1 2 382.529 4.443 20 0 GIADLO CC(C)(c1ccc(F)cc1)C1(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000456760331 822829596 /nfs/dbraw/zinc/82/95/96/822829596.db2.gz UIWHSPJDQKSEDR-UHFFFAOYSA-N 1 2 377.463 4.311 20 0 GIADLO CCCCOc1cc(OC)ccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000185892728 822830526 /nfs/dbraw/zinc/83/05/26/822830526.db2.gz SFAZRXUAMOMFBC-UHFFFAOYSA-N 1 2 393.487 4.049 20 0 GIADLO Cc1cc(C)c(CNC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)c[nH+]1 ZINC000456828206 822835889 /nfs/dbraw/zinc/83/58/89/822835889.db2.gz BJXPYSFMHWSDRC-LBPRGKRZSA-N 1 2 379.273 4.095 20 0 GIADLO Cc1cc(C)c(CNC(=O)[C@H](C)Cc2ccc(F)c(Br)c2)c[nH+]1 ZINC000456828128 822835954 /nfs/dbraw/zinc/83/59/54/822835954.db2.gz BJXPYSFMHWSDRC-GFCCVEGCSA-N 1 2 379.273 4.095 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000456844339 822837403 /nfs/dbraw/zinc/83/74/03/822837403.db2.gz SEHATEZOATWLJF-GOSISDBHSA-N 1 2 391.368 4.265 20 0 GIADLO Cc1cc(C)c(CNC(=O)CSCc2ccc(Br)cc2F)c[nH+]1 ZINC000456869871 822839226 /nfs/dbraw/zinc/83/92/26/822839226.db2.gz YSCMKQLAKUJQDK-UHFFFAOYSA-N 1 2 397.313 4.150 20 0 GIADLO CC[C@@H]([NH2+][C@H](C)C(=O)NCC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185973430 822839788 /nfs/dbraw/zinc/83/97/88/822839788.db2.gz KVSNZBOPPZJSIH-DGCLKSJQSA-N 1 2 377.476 4.288 20 0 GIADLO Cc1c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cnn1-c1ccccc1 ZINC000053680494 822844672 /nfs/dbraw/zinc/84/46/72/822844672.db2.gz HKZJJXAQNPTBEJ-UHFFFAOYSA-N 1 2 395.532 4.121 20 0 GIADLO Cc1cccc(NC(=O)C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1C ZINC000053780508 822847850 /nfs/dbraw/zinc/84/78/50/822847850.db2.gz LJAHZVDABQLQKZ-HSZRJFAPSA-N 1 2 387.483 4.212 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1Cn1cccn1 ZINC000186059200 822848185 /nfs/dbraw/zinc/84/81/85/822848185.db2.gz KWZFSUMEVYBYCX-GOSISDBHSA-N 1 2 399.498 4.248 20 0 GIADLO C[C@@H]1C[N@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000174977691 822863495 /nfs/dbraw/zinc/86/34/95/822863495.db2.gz NLESFEOOKLLHHE-CZAAIQMYSA-N 1 2 377.513 4.042 20 0 GIADLO C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000174977691 822863497 /nfs/dbraw/zinc/86/34/97/822863497.db2.gz NLESFEOOKLLHHE-CZAAIQMYSA-N 1 2 377.513 4.042 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000174984457 822864299 /nfs/dbraw/zinc/86/42/99/822864299.db2.gz WXDNKZUGXSEIRB-BXKMTCNYSA-N 1 2 388.515 4.429 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000174984457 822864302 /nfs/dbraw/zinc/86/43/02/822864302.db2.gz WXDNKZUGXSEIRB-BXKMTCNYSA-N 1 2 388.515 4.429 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000174984478 822864308 /nfs/dbraw/zinc/86/43/08/822864308.db2.gz WXDNKZUGXSEIRB-MZNJEOGPSA-N 1 2 388.515 4.429 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000174984478 822864310 /nfs/dbraw/zinc/86/43/10/822864310.db2.gz WXDNKZUGXSEIRB-MZNJEOGPSA-N 1 2 388.515 4.429 20 0 GIADLO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000568969076 822866127 /nfs/dbraw/zinc/86/61/27/822866127.db2.gz ZKWJOBVHDCXEDR-KPZWWZAWSA-N 1 2 383.293 4.257 20 0 GIADLO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000568969076 822866132 /nfs/dbraw/zinc/86/61/32/822866132.db2.gz ZKWJOBVHDCXEDR-KPZWWZAWSA-N 1 2 383.293 4.257 20 0 GIADLO Brc1cc2c(cc1C[NH2+]C1(c3nccs3)CCCC1)OCCO2 ZINC000175008213 822866610 /nfs/dbraw/zinc/86/66/10/822866610.db2.gz POOMABALBFAKPM-UHFFFAOYSA-N 1 2 395.322 4.236 20 0 GIADLO CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cs1 ZINC000186276893 822869091 /nfs/dbraw/zinc/86/90/91/822869091.db2.gz WWZMPCMVHJINTO-MAUKXSAKSA-N 1 2 387.549 4.026 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cc(F)ccc3C)CC2)cc1 ZINC000054299941 822873954 /nfs/dbraw/zinc/87/39/54/822873954.db2.gz HAHYNDORCMZKMA-QGZVFWFLSA-N 1 2 382.479 4.364 20 0 GIADLO O=C(c1cc(Br)co1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000457437457 822875163 /nfs/dbraw/zinc/87/51/63/822875163.db2.gz QFZWMBJLEIMEAO-UHFFFAOYSA-N 1 2 397.700 4.044 20 0 GIADLO O=C(c1cc(Br)co1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000457437457 822875167 /nfs/dbraw/zinc/87/51/67/822875167.db2.gz QFZWMBJLEIMEAO-UHFFFAOYSA-N 1 2 397.700 4.044 20 0 GIADLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186318586 822875580 /nfs/dbraw/zinc/87/55/80/822875580.db2.gz UUCYKDGKFRWVTC-SFHVURJKSA-N 1 2 382.895 4.481 20 0 GIADLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186318586 822875582 /nfs/dbraw/zinc/87/55/82/822875582.db2.gz UUCYKDGKFRWVTC-SFHVURJKSA-N 1 2 382.895 4.481 20 0 GIADLO CC[C@@H](CC(F)F)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457451588 822876146 /nfs/dbraw/zinc/87/61/46/822876146.db2.gz QZONXBWSROAAKR-WFASDCNBSA-N 1 2 376.850 4.414 20 0 GIADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1[nH]ccc1C1CC1 ZINC000457458682 822876922 /nfs/dbraw/zinc/87/69/22/822876922.db2.gz WVHCANNKFUQCCG-KRWDZBQOSA-N 1 2 375.875 4.252 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H](C)Cc1cccc(F)c1 ZINC000175076276 822878104 /nfs/dbraw/zinc/87/81/04/822878104.db2.gz QXFSNWJJXMPPAF-QGZVFWFLSA-N 1 2 384.495 4.174 20 0 GIADLO C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1Br ZINC000054358215 822878206 /nfs/dbraw/zinc/87/82/06/822878206.db2.gz YCWVIAOILQWIIF-UHFFFAOYSA-N 1 2 387.321 4.317 20 0 GIADLO C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1Br ZINC000054358215 822878210 /nfs/dbraw/zinc/87/82/10/822878210.db2.gz YCWVIAOILQWIIF-UHFFFAOYSA-N 1 2 387.321 4.317 20 0 GIADLO O=C(Cc1ccccc1OC1CCCC1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000457486037 822880508 /nfs/dbraw/zinc/88/05/08/822880508.db2.gz YLPKZFLBMNGUPO-UHFFFAOYSA-N 1 2 394.515 4.021 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccc3ccccc3c1)C2 ZINC000054390045 822880932 /nfs/dbraw/zinc/88/09/32/822880932.db2.gz HNLCYWHPFITYNG-INIZCTEOSA-N 1 2 387.483 4.184 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccc3ccccc3c1)C2 ZINC000054390045 822880940 /nfs/dbraw/zinc/88/09/40/822880940.db2.gz HNLCYWHPFITYNG-INIZCTEOSA-N 1 2 387.483 4.184 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](CC(C)C)c1cc(Cl)ccc1OC ZINC000186362265 822882145 /nfs/dbraw/zinc/88/21/45/822882145.db2.gz WRHMJQMYANHLCX-KRWDZBQOSA-N 1 2 393.915 4.136 20 0 GIADLO O=S1(=O)CC[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c2ccccc21 ZINC000186366272 822882545 /nfs/dbraw/zinc/88/25/45/822882545.db2.gz IKAHQJJQSYGKFU-FQEVSTJZSA-N 1 2 393.512 4.217 20 0 GIADLO C[C@@H](CC(F)(F)F)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457549270 822889156 /nfs/dbraw/zinc/88/91/56/822889156.db2.gz CGOOHUCVFSBKHH-FZMZJTMJSA-N 1 2 380.813 4.148 20 0 GIADLO C[C@@H](CC(F)(F)F)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457549270 822889160 /nfs/dbraw/zinc/88/91/60/822889160.db2.gz CGOOHUCVFSBKHH-FZMZJTMJSA-N 1 2 380.813 4.148 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[NH2+]C(c1ccccc1C)c1ccccc1C ZINC000186419363 822891640 /nfs/dbraw/zinc/89/16/40/822891640.db2.gz AYKHFXCZISTVPF-UHFFFAOYSA-N 1 2 377.488 4.093 20 0 GIADLO COc1ccccc1[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)C1CCCC1 ZINC000186429529 822893706 /nfs/dbraw/zinc/89/37/06/822893706.db2.gz WNMYTKNJMRMNOG-HSZRJFAPSA-N 1 2 392.503 4.413 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC(c2cccc(Cl)c2)C1 ZINC000457592799 822895607 /nfs/dbraw/zinc/89/56/07/822895607.db2.gz GZFJXHXXXJGPNZ-UHFFFAOYSA-N 1 2 384.911 4.034 20 0 GIADLO Cc1c(Cl)cncc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457667233 822903700 /nfs/dbraw/zinc/90/37/00/822903700.db2.gz KTVVAIKMAVFDCX-IAGOWNOFSA-N 1 2 382.266 4.011 20 0 GIADLO Cc1c(Cl)cncc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457667233 822903704 /nfs/dbraw/zinc/90/37/04/822903704.db2.gz KTVVAIKMAVFDCX-IAGOWNOFSA-N 1 2 382.266 4.011 20 0 GIADLO Cc1nc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)sc1Cc1ccc(C)cc1 ZINC000569303917 822904527 /nfs/dbraw/zinc/90/45/27/822904527.db2.gz TXCAJLZQALKTND-UHFFFAOYSA-N 1 2 395.532 4.485 20 0 GIADLO Cc1nc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)sc1Cc1ccc(C)cc1 ZINC000569303917 822904531 /nfs/dbraw/zinc/90/45/31/822904531.db2.gz TXCAJLZQALKTND-UHFFFAOYSA-N 1 2 395.532 4.485 20 0 GIADLO CO[C@@H](C)c1nc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cs1 ZINC000175218579 822907173 /nfs/dbraw/zinc/90/71/73/822907173.db2.gz OXMAEADRULGERR-SCLBCKFNSA-N 1 2 380.941 4.450 20 0 GIADLO CO[C@H](C)c1nc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cs1 ZINC000175218603 822907191 /nfs/dbraw/zinc/90/71/91/822907191.db2.gz OXMAEADRULGERR-FZKQIMNGSA-N 1 2 380.941 4.450 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457691741 822907495 /nfs/dbraw/zinc/90/74/95/822907495.db2.gz ALQOPXKLHQACKI-HKUYNNGSSA-N 1 2 375.875 4.250 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457691741 822907499 /nfs/dbraw/zinc/90/74/99/822907499.db2.gz ALQOPXKLHQACKI-HKUYNNGSSA-N 1 2 375.875 4.250 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457709680 822909720 /nfs/dbraw/zinc/90/97/20/822909720.db2.gz OAAVDRIYANEFLU-ONERCXAPSA-N 1 2 380.813 4.319 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)CC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457709680 822909722 /nfs/dbraw/zinc/90/97/22/822909722.db2.gz OAAVDRIYANEFLU-ONERCXAPSA-N 1 2 380.813 4.319 20 0 GIADLO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000569391228 822915532 /nfs/dbraw/zinc/91/55/32/822915532.db2.gz GDVNGXARKDFKST-IBGZPJMESA-N 1 2 383.879 4.059 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Oc2cccc(F)c2)cn1 ZINC000457763893 822916485 /nfs/dbraw/zinc/91/64/85/822916485.db2.gz RCXKQYAIFIISIF-UHFFFAOYSA-N 1 2 396.466 4.324 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC000186626331 822925570 /nfs/dbraw/zinc/92/55/70/822925570.db2.gz FRWRAOSHLRWHMV-KSFYIVLOSA-N 1 2 384.907 4.415 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC000186626331 822925575 /nfs/dbraw/zinc/92/55/75/822925575.db2.gz FRWRAOSHLRWHMV-KSFYIVLOSA-N 1 2 384.907 4.415 20 0 GIADLO C[C@@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1cccc(F)c1 ZINC000175299668 822928647 /nfs/dbraw/zinc/92/86/47/822928647.db2.gz XQXWHOQOMDEUHI-VGOFRKELSA-N 1 2 392.478 4.363 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)C[N@@H+](C)Cc3ccccc3N(C)C)c2)cs1 ZINC000569499863 822930476 /nfs/dbraw/zinc/93/04/76/822930476.db2.gz NVFLIDUDRTUYSG-UHFFFAOYSA-N 1 2 394.544 4.255 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)C[N@H+](C)Cc3ccccc3N(C)C)c2)cs1 ZINC000569499863 822930478 /nfs/dbraw/zinc/93/04/78/822930478.db2.gz NVFLIDUDRTUYSG-UHFFFAOYSA-N 1 2 394.544 4.255 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(Br)cn1 ZINC000569507107 822931518 /nfs/dbraw/zinc/93/15/18/822931518.db2.gz BBETXEXLPBMDCP-UHFFFAOYSA-N 1 2 396.716 4.348 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(Br)cn1 ZINC000569507107 822931521 /nfs/dbraw/zinc/93/15/21/822931521.db2.gz BBETXEXLPBMDCP-UHFFFAOYSA-N 1 2 396.716 4.348 20 0 GIADLO CC(C)(C)c1nc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cs1 ZINC000055029405 822932237 /nfs/dbraw/zinc/93/22/37/822932237.db2.gz BKKBKZIPCRKWFP-UHFFFAOYSA-N 1 2 378.586 4.037 20 0 GIADLO Cc1sc2nc([C@@H](C)[NH+]3CCC(c4ccc(O)cc4)CC3)[nH]c(=O)c2c1C ZINC000055103355 822938654 /nfs/dbraw/zinc/93/86/54/822938654.db2.gz UMGQQJIFGWMANI-CYBMUJFWSA-N 1 2 383.517 4.248 20 0 GIADLO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)CCO2 ZINC000186698699 822940111 /nfs/dbraw/zinc/94/01/11/822940111.db2.gz WJJPISZSBMCECT-RBBKRZOGSA-N 1 2 381.451 4.161 20 0 GIADLO C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000569584929 822942498 /nfs/dbraw/zinc/94/24/98/822942498.db2.gz ZXOFDGVSRGYGHE-GJZGRUSLSA-N 1 2 383.879 4.390 20 0 GIADLO COC(=O)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)nc1C1CC1 ZINC000569626080 822946437 /nfs/dbraw/zinc/94/64/37/822946437.db2.gz VFHBCNHUUUSYLQ-UHFFFAOYSA-N 1 2 382.357 4.193 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569690951 822955761 /nfs/dbraw/zinc/95/57/61/822955761.db2.gz WQRXDICLIUKXIL-PBHICJAKSA-N 1 2 381.904 4.148 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(NC)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569690951 822955764 /nfs/dbraw/zinc/95/57/64/822955764.db2.gz WQRXDICLIUKXIL-PBHICJAKSA-N 1 2 381.904 4.148 20 0 GIADLO COc1cc2c(cc1C[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F)OCO2 ZINC000569703222 822956980 /nfs/dbraw/zinc/95/69/80/822956980.db2.gz VWBTWBHBFGKGID-UHFFFAOYSA-N 1 2 375.293 4.011 20 0 GIADLO CCOc1cc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc(Cl)c1O ZINC000186853399 822968289 /nfs/dbraw/zinc/96/82/89/822968289.db2.gz NEQAIVNHUVOVCO-ZDUSSCGKSA-N 1 2 399.878 4.429 20 0 GIADLO Cc1csc(=O)n1CC[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000186854326 822968494 /nfs/dbraw/zinc/96/84/94/822968494.db2.gz VWGLIFRDUVELML-HNNXBMFYSA-N 1 2 388.480 4.027 20 0 GIADLO Cc1csc(=O)n1CC[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000186854326 822968495 /nfs/dbraw/zinc/96/84/95/822968495.db2.gz VWGLIFRDUVELML-HNNXBMFYSA-N 1 2 388.480 4.027 20 0 GIADLO CC(C)C(=O)c1ccc([C@H](C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000569791471 822969820 /nfs/dbraw/zinc/96/98/20/822969820.db2.gz NBRNQBSTKJCGGL-KRWDZBQOSA-N 1 2 375.472 4.131 20 0 GIADLO CCn1c[nH+]cc1CN1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000569793850 822969995 /nfs/dbraw/zinc/96/99/95/822969995.db2.gz LVXOSDHOFMIGQR-KRWDZBQOSA-N 1 2 381.307 4.203 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000175468249 822976542 /nfs/dbraw/zinc/97/65/42/822976542.db2.gz YKVGAWGILDMYFK-UHFFFAOYSA-N 1 2 384.455 4.074 20 0 GIADLO Cc1ccccc1Oc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)nc1 ZINC000569913291 822985072 /nfs/dbraw/zinc/98/50/72/822985072.db2.gz BKQUYYNPCXMAHF-OXJNMPFZSA-N 1 2 392.459 4.158 20 0 GIADLO Cc1ccccc1Oc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)nc1 ZINC000569913291 822985075 /nfs/dbraw/zinc/98/50/75/822985075.db2.gz BKQUYYNPCXMAHF-OXJNMPFZSA-N 1 2 392.459 4.158 20 0 GIADLO Fc1ccc2nc(C3CC3)cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)c2c1 ZINC000569913231 822985133 /nfs/dbraw/zinc/98/51/33/822985133.db2.gz OJEMLRDDWPXAPP-MGPUTAFESA-N 1 2 394.450 4.227 20 0 GIADLO Fc1ccc2nc(C3CC3)cc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)c2c1 ZINC000569913231 822985137 /nfs/dbraw/zinc/98/51/37/822985137.db2.gz OJEMLRDDWPXAPP-MGPUTAFESA-N 1 2 394.450 4.227 20 0 GIADLO O=C(C[NH+]1CCC(c2ccsc2)CC1)N[C@H](c1nccs1)c1ccccc1 ZINC000186952736 822985882 /nfs/dbraw/zinc/98/58/82/822985882.db2.gz AALQVTAHHRWHOK-FQEVSTJZSA-N 1 2 397.569 4.290 20 0 GIADLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000175510221 822987021 /nfs/dbraw/zinc/98/70/21/822987021.db2.gz ZATJKYHLIPLMGB-YLJYHZDGSA-N 1 2 394.544 4.118 20 0 GIADLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000175510221 822987025 /nfs/dbraw/zinc/98/70/25/822987025.db2.gz ZATJKYHLIPLMGB-YLJYHZDGSA-N 1 2 394.544 4.118 20 0 GIADLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000186962744 822988060 /nfs/dbraw/zinc/98/80/60/822988060.db2.gz SDSDPMFJFRAQBW-GHMZBOCLSA-N 1 2 380.261 4.353 20 0 GIADLO CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)Cn1cc[nH+]c1 ZINC000570018708 822997709 /nfs/dbraw/zinc/99/77/09/822997709.db2.gz ZHFIVDGDOXKZNK-UHFFFAOYSA-N 1 2 391.515 4.436 20 0 GIADLO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000175561494 822997807 /nfs/dbraw/zinc/99/78/07/822997807.db2.gz CPXHMDVDJFZFLV-JTSKRJEESA-N 1 2 392.478 4.363 20 0 GIADLO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000175583527 823002018 /nfs/dbraw/zinc/00/20/18/823002018.db2.gz POCKVMRMACGVPE-OAQYLSRUSA-N 1 2 380.536 4.022 20 0 GIADLO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000175583510 823002049 /nfs/dbraw/zinc/00/20/49/823002049.db2.gz POCKVMRMACGVPE-NRFANRHFSA-N 1 2 380.536 4.022 20 0 GIADLO C[C@@H]1C[C@@H]1[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000175584526 823002219 /nfs/dbraw/zinc/00/22/19/823002219.db2.gz MGMSTGKYXUAHGH-MFMILTCTSA-N 1 2 398.938 4.400 20 0 GIADLO O[C@H](C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1Cl ZINC000187052272 823004128 /nfs/dbraw/zinc/00/41/28/823004128.db2.gz FIHAGBNIEQTSFA-LLVKDONJSA-N 1 2 379.703 4.329 20 0 GIADLO O[C@H](C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1Cl ZINC000187052272 823004131 /nfs/dbraw/zinc/00/41/31/823004131.db2.gz FIHAGBNIEQTSFA-LLVKDONJSA-N 1 2 379.703 4.329 20 0 GIADLO COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000570114950 823007049 /nfs/dbraw/zinc/00/70/49/823007049.db2.gz HZDRYMQGSJUHCA-LAUBAEHRSA-N 1 2 375.472 4.494 20 0 GIADLO COc1cc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)ccc1F ZINC000187087735 823009025 /nfs/dbraw/zinc/00/90/25/823009025.db2.gz ANRPTAYJRJQGIX-AZUAARDMSA-N 1 2 380.423 4.081 20 0 GIADLO O=C(CCc1nc2cc(C(F)(F)F)ccc2s1)Nc1c[nH+]c2n1CCCC2 ZINC000570134962 823009006 /nfs/dbraw/zinc/00/90/06/823009006.db2.gz JCDAEGPMONUMID-UHFFFAOYSA-N 1 2 394.422 4.419 20 0 GIADLO C[C@H]1C[N@H+](C)CCN1C(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000570167833 823011660 /nfs/dbraw/zinc/01/16/60/823011660.db2.gz LNNLPTLDEOFWKL-HNNXBMFYSA-N 1 2 398.503 4.396 20 0 GIADLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000570167833 823011663 /nfs/dbraw/zinc/01/16/63/823011663.db2.gz LNNLPTLDEOFWKL-HNNXBMFYSA-N 1 2 398.503 4.396 20 0 GIADLO Cc1cnc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(Br)c1 ZINC000570174166 823012543 /nfs/dbraw/zinc/01/25/43/823012543.db2.gz RZTSZYOZXNHOCR-AWEZNQCLSA-N 1 2 382.689 4.047 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C)C[C@H]3c3ccco3)cn2c1 ZINC000175667389 823016317 /nfs/dbraw/zinc/01/63/17/823016317.db2.gz RJHSZSXUZWSJCZ-YJBOKZPZSA-N 1 2 383.517 4.469 20 0 GIADLO Cc1ccc(C[S@@](=O)Cc2csc(COc3ccc(F)cc3)n2)c(C)[nH+]1 ZINC000187140772 823016733 /nfs/dbraw/zinc/01/67/33/823016733.db2.gz XPHISLMICMGTJQ-AREMUKBSSA-N 1 2 390.505 4.322 20 0 GIADLO Cc1ccc(C[S@](=O)Cc2cccc(C(=O)Nc3ccccc3)c2)c(C)[nH+]1 ZINC000187151555 823018007 /nfs/dbraw/zinc/01/80/07/823018007.db2.gz YUEYVSJBSXANQY-HHHXNRCGSA-N 1 2 378.497 4.400 20 0 GIADLO Cc1ccc(C[S@@](=O)Cc2cccc(C(=O)Nc3ccccc3)c2)c(C)[nH+]1 ZINC000187151538 823018059 /nfs/dbraw/zinc/01/80/59/823018059.db2.gz YUEYVSJBSXANQY-MHZLTWQESA-N 1 2 378.497 4.400 20 0 GIADLO Cc1ccc(C[S@](=O)[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)c(C)[nH+]1 ZINC000187162298 823019301 /nfs/dbraw/zinc/01/93/01/823019301.db2.gz VRQLTPXJLWQWQM-SHZVTRLKSA-N 1 2 375.881 4.412 20 0 GIADLO CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NCc2c[nH+]cn2C)cc1 ZINC000570287409 823022595 /nfs/dbraw/zinc/02/25/95/823022595.db2.gz UWJFYQKBOSUKRL-UHFFFAOYSA-N 1 2 399.498 4.074 20 0 GIADLO C[C@H](CNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)Cn1cc[nH+]c1 ZINC000187191197 823023096 /nfs/dbraw/zinc/02/30/96/823023096.db2.gz RCSRVTJRQAOECR-GFCCVEGCSA-N 1 2 385.817 4.039 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1SCCc2ccccc21 ZINC000570366824 823029786 /nfs/dbraw/zinc/02/97/86/823029786.db2.gz HFZFHKOBHDWWTO-IBGZPJMESA-N 1 2 383.904 4.173 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000175770179 823036009 /nfs/dbraw/zinc/03/60/09/823036009.db2.gz SFDHDSKIJFKMRM-CYBMUJFWSA-N 1 2 375.881 4.419 20 0 GIADLO CC[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000175770266 823036372 /nfs/dbraw/zinc/03/63/72/823036372.db2.gz IBVNRPYKFIMRHB-QGZVFWFLSA-N 1 2 379.460 4.392 20 0 GIADLO O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000055761954 823039227 /nfs/dbraw/zinc/03/92/27/823039227.db2.gz FLCGSUMDIRMITB-UHFFFAOYSA-N 1 2 395.890 4.004 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000123833288 823544236 /nfs/dbraw/zinc/54/42/36/823544236.db2.gz OBGMEKCTGDSHRL-BNEJOLLZSA-N 1 2 377.410 4.115 20 0 GIADLO CCCCN1C(=O)CC[C@H](C(=O)Nc2cc[nH+]c(C)c2)[C@@H]1c1ccccc1OC ZINC000123841883 823544805 /nfs/dbraw/zinc/54/48/05/823544805.db2.gz YMRLGGGDNVKYFC-UGKGYDQZSA-N 1 2 395.503 4.117 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(C3SCCCS3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123874433 823548326 /nfs/dbraw/zinc/54/83/26/823548326.db2.gz MNXSUPPOLYYJLP-YJBOKZPZSA-N 1 2 387.574 4.475 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060615755 823548327 /nfs/dbraw/zinc/54/83/27/823548327.db2.gz DAJRRYWVGIAWGU-UHFFFAOYSA-N 1 2 375.457 4.032 20 0 GIADLO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000060628487 823549241 /nfs/dbraw/zinc/54/92/41/823549241.db2.gz IBTPQHAACPRGFD-UHFFFAOYSA-N 1 2 394.500 4.236 20 0 GIADLO COc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000123891051 823549497 /nfs/dbraw/zinc/54/94/97/823549497.db2.gz XOBITDFCQMRXLP-VGOFRKELSA-N 1 2 390.487 4.359 20 0 GIADLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2OC(F)F)CC[C@H]1C(F)(F)F ZINC000190208095 823550893 /nfs/dbraw/zinc/55/08/93/823550893.db2.gz IVGDTOPSJKXGON-CYBMUJFWSA-N 1 2 380.357 4.137 20 0 GIADLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2OC(F)F)CC[C@H]1C(F)(F)F ZINC000190208095 823550897 /nfs/dbraw/zinc/55/08/97/823550897.db2.gz IVGDTOPSJKXGON-CYBMUJFWSA-N 1 2 380.357 4.137 20 0 GIADLO C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccc(F)c(F)c1 ZINC000460959146 823550933 /nfs/dbraw/zinc/55/09/33/823550933.db2.gz CFGKRMJAWBACHJ-QWHCGFSZSA-N 1 2 379.476 4.395 20 0 GIADLO C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccc(F)c(F)c1 ZINC000460959146 823550935 /nfs/dbraw/zinc/55/09/35/823550935.db2.gz CFGKRMJAWBACHJ-QWHCGFSZSA-N 1 2 379.476 4.395 20 0 GIADLO CC[N@H+](Cc1ccc(OCc2cccs2)c(OC)c1)[C@H](C)c1nnc(C)[nH]1 ZINC000411155044 823552535 /nfs/dbraw/zinc/55/25/35/823552535.db2.gz MADMIANCKSYQSG-CQSZACIVSA-N 1 2 386.521 4.345 20 0 GIADLO CC[N@@H+](Cc1ccc(OCc2cccs2)c(OC)c1)[C@H](C)c1nnc(C)[nH]1 ZINC000411155044 823552538 /nfs/dbraw/zinc/55/25/38/823552538.db2.gz MADMIANCKSYQSG-CQSZACIVSA-N 1 2 386.521 4.345 20 0 GIADLO CCS(=O)(=O)CCCCC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000190294059 823559854 /nfs/dbraw/zinc/55/98/54/823559854.db2.gz QDPFBCGJWGOBGJ-GOSISDBHSA-N 1 2 383.604 4.362 20 0 GIADLO CCS(=O)(=O)CCCCC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000190294059 823559857 /nfs/dbraw/zinc/55/98/57/823559857.db2.gz QDPFBCGJWGOBGJ-GOSISDBHSA-N 1 2 383.604 4.362 20 0 GIADLO Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000411245008 823560082 /nfs/dbraw/zinc/56/00/82/823560082.db2.gz VZOKDZIGCPQIIH-UHFFFAOYSA-N 1 2 399.495 4.015 20 0 GIADLO C[C@@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000190302341 823560739 /nfs/dbraw/zinc/56/07/39/823560739.db2.gz KEDNCLSILZPWHU-JJRVBVJISA-N 1 2 380.414 4.256 20 0 GIADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(SC(F)F)cc1 ZINC000124071677 823565146 /nfs/dbraw/zinc/56/51/46/823565146.db2.gz WJTDYGLHAKRTEH-UHFFFAOYSA-N 1 2 378.444 4.086 20 0 GIADLO Cc1nc(C2([NH2+]CCC(=O)Nc3cc(Cl)ccc3Cl)CCCCC2)no1 ZINC000411351513 823565965 /nfs/dbraw/zinc/56/59/65/823565965.db2.gz OCNRSSHGCKMMKK-UHFFFAOYSA-N 1 2 397.306 4.463 20 0 GIADLO CCn1c(=S)n(C[N@H+](CC)Cc2c[nH]c3ccccc23)nc1-c1ccncc1 ZINC000190392193 823568850 /nfs/dbraw/zinc/56/88/50/823568850.db2.gz PZYKOQQGGCMYKH-UHFFFAOYSA-N 1 2 392.532 4.457 20 0 GIADLO CCn1c(=S)n(C[N@@H+](CC)Cc2c[nH]c3ccccc23)nc1-c1ccncc1 ZINC000190392193 823568852 /nfs/dbraw/zinc/56/88/52/823568852.db2.gz PZYKOQQGGCMYKH-UHFFFAOYSA-N 1 2 392.532 4.457 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1 ZINC000411412632 823571517 /nfs/dbraw/zinc/57/15/17/823571517.db2.gz FRFWVJQKBVOMIW-QFIPXVFZSA-N 1 2 375.472 4.041 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1 ZINC000411412632 823571519 /nfs/dbraw/zinc/57/15/19/823571519.db2.gz FRFWVJQKBVOMIW-QFIPXVFZSA-N 1 2 375.472 4.041 20 0 GIADLO COC(=O)C1([NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)CCCCCC1 ZINC000411433480 823573785 /nfs/dbraw/zinc/57/37/85/823573785.db2.gz ADAAWQQRWZHHTD-UHFFFAOYSA-N 1 2 387.307 4.178 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(Br)cc1F ZINC000190437418 823573870 /nfs/dbraw/zinc/57/38/70/823573870.db2.gz CEAOQOOJLWYGLI-UHFFFAOYSA-N 1 2 397.292 4.291 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCSC[C@H](C)C2)cs1)c1ccccc1F ZINC000190447657 823575647 /nfs/dbraw/zinc/57/56/47/823575647.db2.gz UDBKCYXBFZZQDO-CYBMUJFWSA-N 1 2 379.526 4.152 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCSC[C@H](C)C2)cs1)c1ccccc1F ZINC000190447657 823575648 /nfs/dbraw/zinc/57/56/48/823575648.db2.gz UDBKCYXBFZZQDO-CYBMUJFWSA-N 1 2 379.526 4.152 20 0 GIADLO CC(C)c1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c2ccccc2n1 ZINC000061074975 823577329 /nfs/dbraw/zinc/57/73/29/823577329.db2.gz IDLMGYZWVBYORT-UHFFFAOYSA-N 1 2 379.529 4.378 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1Cc2ccccc21 ZINC000461115200 823580150 /nfs/dbraw/zinc/58/01/50/823580150.db2.gz RWVFOJURSSUMGL-JOCHJYFZSA-N 1 2 389.499 4.041 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@H]2Cc3ccccc32)cc1 ZINC000461116921 823580388 /nfs/dbraw/zinc/58/03/88/823580388.db2.gz ZCPRUZUTOUIQRO-QHCPKHFHSA-N 1 2 389.499 4.041 20 0 GIADLO C[C@@H](c1cccc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)c1)[NH+]1CCOCC1 ZINC000461117368 823580567 /nfs/dbraw/zinc/58/05/67/823580567.db2.gz TXANVBPGAIMBMY-INIZCTEOSA-N 1 2 393.462 4.466 20 0 GIADLO O=C(CSCc1cc(-c2cccs2)on1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000061162606 823581592 /nfs/dbraw/zinc/58/15/92/823581592.db2.gz MHHNGVIIZYLPRS-UHFFFAOYSA-N 1 2 396.497 4.461 20 0 GIADLO CC(C)CN(C(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[C@@H](C)c1ccccc1Cl ZINC000411498421 823581646 /nfs/dbraw/zinc/58/16/46/823581646.db2.gz CQICOBPFULYAFN-HNNXBMFYSA-N 1 2 398.894 4.172 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190518180 823583040 /nfs/dbraw/zinc/58/30/40/823583040.db2.gz WLRAUAUVAXBCBO-AWEZNQCLSA-N 1 2 391.874 4.053 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc(CCC(F)(F)F)c1 ZINC000124317312 823586715 /nfs/dbraw/zinc/58/67/15/823586715.db2.gz LXSKOSIFUPHXFM-UHFFFAOYSA-N 1 2 392.425 4.498 20 0 GIADLO CCCCNC(=S)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000061247963 823587086 /nfs/dbraw/zinc/58/70/86/823587086.db2.gz UXMSXYVDAOOVPJ-UHFFFAOYSA-N 1 2 382.936 4.243 20 0 GIADLO O=C(Nc1cccc(CCC(F)(F)F)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000124378008 823591700 /nfs/dbraw/zinc/59/17/00/823591700.db2.gz PJXVZBJESOFTAR-UHFFFAOYSA-N 1 2 392.425 4.367 20 0 GIADLO Clc1c(Br)cccc1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000411662968 823595676 /nfs/dbraw/zinc/59/56/76/823595676.db2.gz GYGDGVVXWJPCQK-HNNXBMFYSA-N 1 2 381.701 4.289 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)cc2)c1C ZINC000461212962 823599788 /nfs/dbraw/zinc/59/97/88/823599788.db2.gz SGSAVFJKTSNFJW-UHFFFAOYSA-N 1 2 379.844 4.082 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(-c2nccs2)cc1 ZINC000124526278 823603719 /nfs/dbraw/zinc/60/37/19/823603719.db2.gz WHFWECIIWLOJHJ-UHFFFAOYSA-N 1 2 389.484 4.377 20 0 GIADLO Cc1ccc(C[C@@H](C)N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000124592630 823609252 /nfs/dbraw/zinc/60/92/52/823609252.db2.gz PPFWGGVDUORUJE-QGZVFWFLSA-N 1 2 380.467 4.092 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)C[C@@H]1n1cc[nH+]c1 ZINC000124593912 823609437 /nfs/dbraw/zinc/60/94/37/823609437.db2.gz JVKYNFIBSWHNAC-BEFAXECRSA-N 1 2 377.513 4.434 20 0 GIADLO C/C(=C/C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1C(F)(F)F ZINC000124606849 823610665 /nfs/dbraw/zinc/61/06/65/823610665.db2.gz RGYGGWSIWHXECG-RQIGNHDYSA-N 1 2 377.410 4.415 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+]2CCSC3(CCC3)CC2)c(Br)c1 ZINC000411867490 823611516 /nfs/dbraw/zinc/61/15/16/823611516.db2.gz IYMNWBOAUPYWLF-UHFFFAOYSA-N 1 2 383.355 4.058 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+]2CCSC3(CCC3)CC2)c(Br)c1 ZINC000411867490 823611517 /nfs/dbraw/zinc/61/15/17/823611517.db2.gz IYMNWBOAUPYWLF-UHFFFAOYSA-N 1 2 383.355 4.058 20 0 GIADLO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000411955238 823616321 /nfs/dbraw/zinc/61/63/21/823616321.db2.gz VKBYGIRQEWGOKV-QUCCMNQESA-N 1 2 384.476 4.169 20 0 GIADLO O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000411955238 823616322 /nfs/dbraw/zinc/61/63/22/823616322.db2.gz VKBYGIRQEWGOKV-QUCCMNQESA-N 1 2 384.476 4.169 20 0 GIADLO Cc1cc(F)c(Br)cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000190895966 823621173 /nfs/dbraw/zinc/62/11/73/823621173.db2.gz GTPJUTBXUVVIDE-ZBEGNZNMSA-N 1 2 395.276 4.208 20 0 GIADLO COc1cc(Cl)c(F)c(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000412022588 823623266 /nfs/dbraw/zinc/62/32/66/823623266.db2.gz UXOYXWOQUYOWMN-CYBMUJFWSA-N 1 2 392.858 4.133 20 0 GIADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412059325 823624764 /nfs/dbraw/zinc/62/47/64/823624764.db2.gz CFDMHQDYIFWKHP-GJZGRUSLSA-N 1 2 396.478 4.126 20 0 GIADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412059325 823624766 /nfs/dbraw/zinc/62/47/66/823624766.db2.gz CFDMHQDYIFWKHP-GJZGRUSLSA-N 1 2 396.478 4.126 20 0 GIADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)n1 ZINC000412071237 823625814 /nfs/dbraw/zinc/62/58/14/823625814.db2.gz PGVOJBMOLJOCFW-LSDHHAIUSA-N 1 2 383.558 4.218 20 0 GIADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)n1 ZINC000412071237 823625816 /nfs/dbraw/zinc/62/58/16/823625816.db2.gz PGVOJBMOLJOCFW-LSDHHAIUSA-N 1 2 383.558 4.218 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cs1)c1ccc(Cl)cc1 ZINC000412098270 823626437 /nfs/dbraw/zinc/62/64/37/823626437.db2.gz VQPMVMVUQDRNCX-HIFRSBDPSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cs1)c1ccc(Cl)cc1 ZINC000412098270 823626438 /nfs/dbraw/zinc/62/64/38/823626438.db2.gz VQPMVMVUQDRNCX-HIFRSBDPSA-N 1 2 393.940 4.074 20 0 GIADLO O=C(N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000461386602 823627711 /nfs/dbraw/zinc/62/77/11/823627711.db2.gz KGRKIGSLBYWTDM-UHFFFAOYSA-N 1 2 388.502 4.485 20 0 GIADLO Clc1ccc(-c2n[nH]cc2C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000461403676 823630214 /nfs/dbraw/zinc/63/02/14/823630214.db2.gz CCFIVYPLLJUUSJ-UHFFFAOYSA-N 1 2 375.863 4.477 20 0 GIADLO C[C@@H]1CN(c2ccc([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)cc2)C[C@@H](C)O1 ZINC000124941686 823638920 /nfs/dbraw/zinc/63/89/20/823638920.db2.gz DJXSJPPEBVUYPT-IAGOWNOFSA-N 1 2 389.540 4.112 20 0 GIADLO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000412256187 823640339 /nfs/dbraw/zinc/64/03/39/823640339.db2.gz ZVJBFMYGGKKOFZ-JOCHJYFZSA-N 1 2 381.520 4.191 20 0 GIADLO COc1ccnc(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)c1OC ZINC000191045970 823641797 /nfs/dbraw/zinc/64/17/97/823641797.db2.gz KIDPTVDRGQLDOF-IBGZPJMESA-N 1 2 382.435 4.148 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CCCc4sccc43)CC2)cc1 ZINC000125003573 823644162 /nfs/dbraw/zinc/64/41/62/823644162.db2.gz ZUDIKYFQGQNVFD-HXUWFJFHSA-N 1 2 383.561 4.019 20 0 GIADLO C[NH+](C)[C@H](C(=O)Nc1ccc(Br)c(F)c1)c1cccc(Cl)c1 ZINC000461499877 823649275 /nfs/dbraw/zinc/64/92/75/823649275.db2.gz XGDUYYAJSWGVNN-HNNXBMFYSA-N 1 2 385.664 4.483 20 0 GIADLO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000125117630 823652656 /nfs/dbraw/zinc/65/26/56/823652656.db2.gz VITMBOLPDFKLCE-INIZCTEOSA-N 1 2 386.927 4.108 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)cs1 ZINC000191139634 823653152 /nfs/dbraw/zinc/65/31/52/823653152.db2.gz OXMCDZKOUWLUQB-HUUCEWRRSA-N 1 2 387.549 4.124 20 0 GIADLO CC(C)(C)O[C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000125202283 823658894 /nfs/dbraw/zinc/65/88/94/823658894.db2.gz SCMJPWCVVKJJMR-OAQYLSRUSA-N 1 2 382.504 4.014 20 0 GIADLO Cc1cc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)nc(-c2ccc(Cl)cc2)n1 ZINC000191208557 823659235 /nfs/dbraw/zinc/65/92/35/823659235.db2.gz GAMVKVDRDCOUNH-LJQANCHMSA-N 1 2 399.951 4.129 20 0 GIADLO Cc1cc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)nc(-c2ccc(Cl)cc2)n1 ZINC000191208557 823659236 /nfs/dbraw/zinc/65/92/36/823659236.db2.gz GAMVKVDRDCOUNH-LJQANCHMSA-N 1 2 399.951 4.129 20 0 GIADLO CCCn1c(C)c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2cc(OC)ccc21 ZINC000125221036 823660048 /nfs/dbraw/zinc/66/00/48/823660048.db2.gz KVTPULRFMMRLPI-IERDGZPVSA-N 1 2 394.519 4.288 20 0 GIADLO CC/C(=C/C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000125234087 823660896 /nfs/dbraw/zinc/66/08/96/823660896.db2.gz DGSYSWLJSBGLCC-ZHZULCJRSA-N 1 2 375.472 4.050 20 0 GIADLO O=C(C[N@@H+](CCC(F)(F)F)Cc1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000191242818 823662529 /nfs/dbraw/zinc/66/25/29/823662529.db2.gz KLUDMWGJPUQKPY-OAHLLOKOSA-N 1 2 396.375 4.242 20 0 GIADLO O=C(C[N@H+](CCC(F)(F)F)Cc1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000191242818 823662531 /nfs/dbraw/zinc/66/25/31/823662531.db2.gz KLUDMWGJPUQKPY-OAHLLOKOSA-N 1 2 396.375 4.242 20 0 GIADLO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125309732 823666889 /nfs/dbraw/zinc/66/68/89/823666889.db2.gz MVRLCXYQZOZROB-QGZVFWFLSA-N 1 2 396.922 4.357 20 0 GIADLO O=C(Nc1cccc2[nH+]ccn21)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000461638538 823673764 /nfs/dbraw/zinc/67/37/64/823673764.db2.gz UVFDJWXOVHZCIE-UHFFFAOYSA-N 1 2 393.450 4.498 20 0 GIADLO c1cc(-c2noc(C[N@@H+](CCc3ccccc3)Cc3cccnc3)n2)cs1 ZINC000191353519 823675427 /nfs/dbraw/zinc/67/54/27/823675427.db2.gz LPVOSSVKKFYVJC-UHFFFAOYSA-N 1 2 376.485 4.438 20 0 GIADLO c1cc(-c2noc(C[N@H+](CCc3ccccc3)Cc3cccnc3)n2)cs1 ZINC000191353519 823675428 /nfs/dbraw/zinc/67/54/28/823675428.db2.gz LPVOSSVKKFYVJC-UHFFFAOYSA-N 1 2 376.485 4.438 20 0 GIADLO O=C(C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1ccccc1Cl ZINC000063512619 823677434 /nfs/dbraw/zinc/67/74/34/823677434.db2.gz MUOZZVWPJUCWSX-OAQYLSRUSA-N 1 2 393.874 4.248 20 0 GIADLO CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc(Br)cc1F)c1ccccc1 ZINC000063605037 823682785 /nfs/dbraw/zinc/68/27/85/823682785.db2.gz NXBBTHGDGFSZEV-GOSISDBHSA-N 1 2 393.300 4.288 20 0 GIADLO CC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(F)ccc1F ZINC000125555382 823684794 /nfs/dbraw/zinc/68/47/94/823684794.db2.gz HYUCNOUPBMVJEU-LJQANCHMSA-N 1 2 388.462 4.301 20 0 GIADLO CC(C)Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000063643582 823686218 /nfs/dbraw/zinc/68/62/18/823686218.db2.gz ZRIXKVRCCQIJCR-UHFFFAOYSA-N 1 2 391.968 4.343 20 0 GIADLO CC(C)Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000063643582 823686219 /nfs/dbraw/zinc/68/62/19/823686219.db2.gz ZRIXKVRCCQIJCR-UHFFFAOYSA-N 1 2 391.968 4.343 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCOc2ccc(Cl)cc2)n1 ZINC000191452246 823686834 /nfs/dbraw/zinc/68/68/34/823686834.db2.gz PICKXPHQVUMALQ-INIZCTEOSA-N 1 2 380.897 4.189 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCOc2ccc(Cl)cc2)n1 ZINC000191452246 823686835 /nfs/dbraw/zinc/68/68/35/823686835.db2.gz PICKXPHQVUMALQ-INIZCTEOSA-N 1 2 380.897 4.189 20 0 GIADLO Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)s2)c(C)c1 ZINC000063660461 823687314 /nfs/dbraw/zinc/68/73/14/823687314.db2.gz WUTIAUYQSOGQKA-IBGZPJMESA-N 1 2 392.528 4.425 20 0 GIADLO Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)s2)c(C)c1 ZINC000063660461 823687315 /nfs/dbraw/zinc/68/73/15/823687315.db2.gz WUTIAUYQSOGQKA-IBGZPJMESA-N 1 2 392.528 4.425 20 0 GIADLO Cc1ccccc1Nc1nc2sc(C(=O)NCCCn3cc[nH+]c3)cc2s1 ZINC000063663073 823687751 /nfs/dbraw/zinc/68/77/51/823687751.db2.gz FFDOEYAEDZQLKW-UHFFFAOYSA-N 1 2 397.529 4.426 20 0 GIADLO CCO[C@@H](C)c1noc(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000191466936 823688230 /nfs/dbraw/zinc/68/82/30/823688230.db2.gz QSGIRGJDXFUBRK-ZDUSSCGKSA-N 1 2 394.313 4.342 20 0 GIADLO CCO[C@@H](C)c1noc(C[N@H+](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000191466936 823688234 /nfs/dbraw/zinc/68/82/34/823688234.db2.gz QSGIRGJDXFUBRK-ZDUSSCGKSA-N 1 2 394.313 4.342 20 0 GIADLO O=C(NCCNc1cccc[nH+]1)c1oc2ccccc2c1COc1ccccc1 ZINC000063707566 823690385 /nfs/dbraw/zinc/69/03/85/823690385.db2.gz KJFCCJWHDOEVEY-UHFFFAOYSA-N 1 2 387.439 4.249 20 0 GIADLO c1coc(Cn2c(SCc3ccc(-n4cc[nH+]c4)cc3)nnc2C2CC2)c1 ZINC000191513349 823694060 /nfs/dbraw/zinc/69/40/60/823694060.db2.gz SSJLHHPKMLJLKK-UHFFFAOYSA-N 1 2 377.473 4.275 20 0 GIADLO C[C@H]([NH2+]Cc1cn(C)nc1-c1cccs1)c1nc(-c2cccc(F)c2)no1 ZINC000191532950 823696549 /nfs/dbraw/zinc/69/65/49/823696549.db2.gz OJVFAPUAGKPXKZ-LBPRGKRZSA-N 1 2 383.452 4.189 20 0 GIADLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)C3=Cc4ccccc4OC3)c2C1 ZINC000191557562 823699346 /nfs/dbraw/zinc/69/93/46/823699346.db2.gz UFMADTOYLWTNST-INIZCTEOSA-N 1 2 398.528 4.222 20 0 GIADLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)C3=Cc4ccccc4OC3)c2C1 ZINC000191557562 823699349 /nfs/dbraw/zinc/69/93/49/823699349.db2.gz UFMADTOYLWTNST-INIZCTEOSA-N 1 2 398.528 4.222 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)n2)c1 ZINC000191564127 823700319 /nfs/dbraw/zinc/70/03/19/823700319.db2.gz GLJJCCPMBWXVQL-ZDUSSCGKSA-N 1 2 393.422 4.125 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3cc(F)c(Cl)cc3Cl)[nH+]cn2)C1 ZINC000413031635 823700472 /nfs/dbraw/zinc/70/04/72/823700472.db2.gz XZZDVQQECNCJPC-SRVKXCTJSA-N 1 2 399.297 4.303 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3cc(F)c(Cl)cc3Cl)nc[nH+]2)C1 ZINC000413031635 823700473 /nfs/dbraw/zinc/70/04/73/823700473.db2.gz XZZDVQQECNCJPC-SRVKXCTJSA-N 1 2 399.297 4.303 20 0 GIADLO C[C@H]1CCN(C(=O)COC(c2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000125725023 823700693 /nfs/dbraw/zinc/70/06/93/823700693.db2.gz IEFFJWWEWBSONL-SIKLNZKXSA-N 1 2 389.499 4.099 20 0 GIADLO O=C(Nc1ccccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000063840090 823700783 /nfs/dbraw/zinc/70/07/83/823700783.db2.gz MIJTZGGKUNPFIS-UHFFFAOYSA-N 1 2 382.423 4.377 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3c[nH]nc3-c3cccc(C)c3)n2)c1 ZINC000191567163 823701115 /nfs/dbraw/zinc/70/11/15/823701115.db2.gz YUAJAHLSOOIVQM-HNNXBMFYSA-N 1 2 389.459 4.295 20 0 GIADLO C[N@H+](Cc1ncc(-c2cccs2)o1)[C@H](CO)c1cccc(Br)c1 ZINC000125738236 823702369 /nfs/dbraw/zinc/70/23/69/823702369.db2.gz CSVOOKHAJDROAV-CQSZACIVSA-N 1 2 393.306 4.331 20 0 GIADLO C[N@@H+](Cc1ncc(-c2cccs2)o1)[C@H](CO)c1cccc(Br)c1 ZINC000125738236 823702373 /nfs/dbraw/zinc/70/23/73/823702373.db2.gz CSVOOKHAJDROAV-CQSZACIVSA-N 1 2 393.306 4.331 20 0 GIADLO Clc1ccc(-c2cncc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)c2)cc1 ZINC000574360247 823708394 /nfs/dbraw/zinc/70/83/94/823708394.db2.gz FRKUNANMESJELB-RTBURBONSA-N 1 2 396.878 4.378 20 0 GIADLO Clc1ccc(-c2cncc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)c2)cc1 ZINC000574360247 823708398 /nfs/dbraw/zinc/70/83/98/823708398.db2.gz FRKUNANMESJELB-RTBURBONSA-N 1 2 396.878 4.378 20 0 GIADLO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cnn1C ZINC000574361375 823708886 /nfs/dbraw/zinc/70/88/86/823708886.db2.gz IJMDAABGLYOMGQ-KRWDZBQOSA-N 1 2 394.544 4.339 20 0 GIADLO Cc1c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cnn1C ZINC000574361375 823708892 /nfs/dbraw/zinc/70/88/92/823708892.db2.gz IJMDAABGLYOMGQ-KRWDZBQOSA-N 1 2 394.544 4.339 20 0 GIADLO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)c(C)c1 ZINC000191603315 823709870 /nfs/dbraw/zinc/70/98/70/823709870.db2.gz LMYPUHBVVCEWSL-ZWKOTPCHSA-N 1 2 392.503 4.345 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000063914677 823710484 /nfs/dbraw/zinc/71/04/84/823710484.db2.gz OFINCSMZYAJSCJ-UHFFFAOYSA-N 1 2 386.908 4.322 20 0 GIADLO COc1ccccc1-c1nc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000191632813 823719436 /nfs/dbraw/zinc/71/94/36/823719436.db2.gz AIOIEACVLMVMMM-UHFFFAOYSA-N 1 2 399.878 4.484 20 0 GIADLO CO[C@@H](C)c1nc(CNc2[nH+]ccc3cc(Br)ccc32)cs1 ZINC000413182367 823722829 /nfs/dbraw/zinc/72/28/29/823722829.db2.gz GGMDFGUEYHTPDO-JTQLQIEISA-N 1 2 378.295 4.195 20 0 GIADLO Cc1ccc(-c2noc(CCC[N@@H+]3CCO[C@@H](c4ccsc4)C3)n2)cc1F ZINC000125832356 823723005 /nfs/dbraw/zinc/72/30/05/823723005.db2.gz HFLXUMSUTUNFHC-GOSISDBHSA-N 1 2 387.480 4.252 20 0 GIADLO Cc1ccc(-c2noc(CCC[N@H+]3CCO[C@@H](c4ccsc4)C3)n2)cc1F ZINC000125832356 823723008 /nfs/dbraw/zinc/72/30/08/823723008.db2.gz HFLXUMSUTUNFHC-GOSISDBHSA-N 1 2 387.480 4.252 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000574414156 823723078 /nfs/dbraw/zinc/72/30/78/823723078.db2.gz NPNYCLPEQXWNSK-FSPWUOQZSA-N 1 2 379.426 4.402 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000574414156 823723083 /nfs/dbraw/zinc/72/30/83/823723083.db2.gz NPNYCLPEQXWNSK-FSPWUOQZSA-N 1 2 379.426 4.402 20 0 GIADLO CC(=O)CC(C)(C)CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000191678941 823730468 /nfs/dbraw/zinc/73/04/68/823730468.db2.gz VTCYVVQDAAUYCD-UHFFFAOYSA-N 1 2 385.533 4.035 20 0 GIADLO CC(=O)CC(C)(C)CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000191678941 823730470 /nfs/dbraw/zinc/73/04/70/823730470.db2.gz VTCYVVQDAAUYCD-UHFFFAOYSA-N 1 2 385.533 4.035 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1CCc2sc(Cl)cc21 ZINC000574448253 823733857 /nfs/dbraw/zinc/73/38/57/823733857.db2.gz ZTPPMAPVCOQINP-INIZCTEOSA-N 1 2 386.908 4.133 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(Cl)nc(Cl)c1 ZINC000064031198 823737982 /nfs/dbraw/zinc/73/79/82/823737982.db2.gz QXXMIUXXJOMIBS-UHFFFAOYSA-N 1 2 382.291 4.248 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(Cl)nc(Cl)c1 ZINC000064031198 823737984 /nfs/dbraw/zinc/73/79/84/823737984.db2.gz QXXMIUXXJOMIBS-UHFFFAOYSA-N 1 2 382.291 4.248 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@H](C)c3ccc(Cl)cc3Cl)[nH+]cn2)C1 ZINC000413267898 823741652 /nfs/dbraw/zinc/74/16/52/823741652.db2.gz QCHHXBHHSXMFIS-UPJWGTAASA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@H](C)c3ccc(Cl)cc3Cl)nc[nH+]2)C1 ZINC000413267898 823741660 /nfs/dbraw/zinc/74/16/60/823741660.db2.gz QCHHXBHHSXMFIS-UPJWGTAASA-N 1 2 381.307 4.164 20 0 GIADLO COc1c(C)c[nH+]c(CN[C@H](c2nc3ccccc3n2C)c2ccccc2)c1C ZINC000125947927 823750756 /nfs/dbraw/zinc/75/07/56/823750756.db2.gz VMGFNEUWGQYUKW-QFIPXVFZSA-N 1 2 386.499 4.473 20 0 GIADLO FC(F)(F)C[C@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000574514152 823753349 /nfs/dbraw/zinc/75/33/49/823753349.db2.gz VPPJFNJLNOHIBT-SNVBAGLBSA-N 1 2 379.213 4.348 20 0 GIADLO FC(F)(F)C[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000574514152 823753362 /nfs/dbraw/zinc/75/33/62/823753362.db2.gz VPPJFNJLNOHIBT-SNVBAGLBSA-N 1 2 379.213 4.348 20 0 GIADLO Cc1nn(C)c(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)c1Br ZINC000574515213 823753616 /nfs/dbraw/zinc/75/36/16/823753616.db2.gz VGHQEUAYCJPUMF-ZDUSSCGKSA-N 1 2 382.277 4.022 20 0 GIADLO C[C@H]1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)C[C@@H]1n1cc[nH+]c1 ZINC000126021650 823768412 /nfs/dbraw/zinc/76/84/12/823768412.db2.gz QGLUYJABWFFBFB-JXFKEZNVSA-N 1 2 381.451 4.325 20 0 GIADLO C[C@@H]1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)C[C@H]1n1cc[nH+]c1 ZINC000126021871 823768425 /nfs/dbraw/zinc/76/84/25/823768425.db2.gz QGLUYJABWFFBFB-OXQOHEQNSA-N 1 2 381.451 4.325 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(Br)cc1C ZINC000191792585 823769273 /nfs/dbraw/zinc/76/92/73/823769273.db2.gz BULMDNDIRYDWSL-UHFFFAOYSA-N 1 2 393.329 4.461 20 0 GIADLO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000191826664 823786118 /nfs/dbraw/zinc/78/61/18/823786118.db2.gz YCDAKAAUFZGGPU-AWEZNQCLSA-N 1 2 385.851 4.192 20 0 GIADLO Cc1ccnc(-c2noc(C[NH2+]C3(c4ccc(Br)cc4)CCC3)n2)c1 ZINC000574639212 823787473 /nfs/dbraw/zinc/78/74/73/823787473.db2.gz FWNSXBGOYAIXQR-UHFFFAOYSA-N 1 2 399.292 4.372 20 0 GIADLO COCCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[C@H]1C ZINC000574642200 823788205 /nfs/dbraw/zinc/78/82/05/823788205.db2.gz JOBQHDXESXKROM-UTKZUKDTSA-N 1 2 394.519 4.271 20 0 GIADLO CSCC[C@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)c1nnc2ccccn21 ZINC000164251601 823789877 /nfs/dbraw/zinc/78/98/77/823789877.db2.gz XCIUAQNGVIMCCQ-ABAIWWIYSA-N 1 2 380.439 4.292 20 0 GIADLO C[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000462008104 823792902 /nfs/dbraw/zinc/79/29/02/823792902.db2.gz HGDVAVJYRDYIDT-OXQOHEQNSA-N 1 2 377.513 4.262 20 0 GIADLO C[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000462008104 823792906 /nfs/dbraw/zinc/79/29/06/823792906.db2.gz HGDVAVJYRDYIDT-OXQOHEQNSA-N 1 2 377.513 4.262 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000191845079 823794839 /nfs/dbraw/zinc/79/48/39/823794839.db2.gz PJHJBDRQPZLHHQ-UHFFFAOYSA-N 1 2 398.429 4.331 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000126140421 823797753 /nfs/dbraw/zinc/79/77/53/823797753.db2.gz VUWDAWFBMURMKQ-WOJBJXKFSA-N 1 2 384.907 4.223 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000191884060 823803737 /nfs/dbraw/zinc/80/37/37/823803737.db2.gz XCWHDRYPUPQKFV-UHFFFAOYSA-N 1 2 385.512 4.106 20 0 GIADLO CC[C@H](NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000413654862 823811579 /nfs/dbraw/zinc/81/15/79/823811579.db2.gz PXECAMVRKSRWRJ-NRFANRHFSA-N 1 2 380.536 4.481 20 0 GIADLO CCc1c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000574739018 823815069 /nfs/dbraw/zinc/81/50/69/823815069.db2.gz MEXCXAJTZYVZGU-UHFFFAOYSA-N 1 2 398.898 4.223 20 0 GIADLO CCc1c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000574739018 823815080 /nfs/dbraw/zinc/81/50/80/823815080.db2.gz MEXCXAJTZYVZGU-UHFFFAOYSA-N 1 2 398.898 4.223 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164674217 823815507 /nfs/dbraw/zinc/81/55/07/823815507.db2.gz BBSAZTTWLHTHTI-JKSUJKDBSA-N 1 2 395.532 4.063 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OCC)c2cccnc12 ZINC000191936038 823816059 /nfs/dbraw/zinc/81/60/59/823816059.db2.gz ZGUXIJLJTAEVNW-UHFFFAOYSA-N 1 2 395.507 4.337 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc2ccc(F)cc2nc1C ZINC000126231940 823817132 /nfs/dbraw/zinc/81/71/32/823817132.db2.gz PDVYEKPTJGSAAC-UHFFFAOYSA-N 1 2 393.462 4.075 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000126241332 823819075 /nfs/dbraw/zinc/81/90/75/823819075.db2.gz JRELUONWFFYQIO-UHFFFAOYSA-N 1 2 390.936 4.211 20 0 GIADLO CCSCc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000126264146 823824118 /nfs/dbraw/zinc/82/41/18/823824118.db2.gz IWMHRQALRKRNQW-UHFFFAOYSA-N 1 2 384.545 4.333 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000165226722 823840203 /nfs/dbraw/zinc/84/02/03/823840203.db2.gz PHUYDLLYWDGSLN-MGPUTAFESA-N 1 2 392.927 4.370 20 0 GIADLO COc1cccc(C[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C[C@@H]2CCCO2)c1 ZINC000064558023 823843777 /nfs/dbraw/zinc/84/37/77/823843777.db2.gz ZTAOZESVTCGTEV-QHCPKHFHSA-N 1 2 395.478 4.201 20 0 GIADLO COc1cccc(C[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C[C@@H]2CCCO2)c1 ZINC000064558023 823843782 /nfs/dbraw/zinc/84/37/82/823843782.db2.gz ZTAOZESVTCGTEV-QHCPKHFHSA-N 1 2 395.478 4.201 20 0 GIADLO Cc1ccc(-c2cc(C(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)on2)cc1 ZINC000126344628 823844685 /nfs/dbraw/zinc/84/46/85/823844685.db2.gz HGOOALSCKCPDLO-UHFFFAOYSA-N 1 2 391.471 4.043 20 0 GIADLO Clc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2nc(CCc3ccccc3)no2)cc1 ZINC000192055440 823845533 /nfs/dbraw/zinc/84/55/33/823845533.db2.gz RUAZXAXXCHDIDW-GHTZIAJQSA-N 1 2 383.879 4.128 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000126366349 823849667 /nfs/dbraw/zinc/84/96/67/823849667.db2.gz NNZCZXFBWSEPDW-UHFFFAOYSA-N 1 2 396.506 4.417 20 0 GIADLO Cn1c[nH+]cc1CNC(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000462166011 823850934 /nfs/dbraw/zinc/85/09/34/823850934.db2.gz KTVDVTWIOWMCHR-UHFFFAOYSA-N 1 2 380.414 4.098 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000574892075 823853045 /nfs/dbraw/zinc/85/30/45/823853045.db2.gz CIVQYQLDUDFZAE-UHFFFAOYSA-N 1 2 383.398 4.244 20 0 GIADLO Cc1c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cccc1-c1ccccn1 ZINC000165601251 823855348 /nfs/dbraw/zinc/85/53/48/823855348.db2.gz XMPNDHKNDOMMAX-UHFFFAOYSA-N 1 2 386.499 4.372 20 0 GIADLO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]Cc1ncccc1F ZINC000126399066 823857146 /nfs/dbraw/zinc/85/71/46/823857146.db2.gz NAEZPNMLAQMDOQ-UHFFFAOYSA-N 1 2 389.272 4.076 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCCC[C@H]2[C@@H](C)O)cs1)c1cccc(Cl)c1 ZINC000165720783 823860919 /nfs/dbraw/zinc/86/09/19/823860919.db2.gz OCWVZVRKFNLTME-ACJLOTCBSA-N 1 2 393.940 4.216 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCCC[C@H]2[C@@H](C)O)cs1)c1cccc(Cl)c1 ZINC000165720783 823860927 /nfs/dbraw/zinc/86/09/27/823860927.db2.gz OCWVZVRKFNLTME-ACJLOTCBSA-N 1 2 393.940 4.216 20 0 GIADLO Fc1cc([C@H]2OCC[C@H]2[NH2+]Cc2nc(Cc3ccccc3)no2)ccc1Cl ZINC000192104494 823861152 /nfs/dbraw/zinc/86/11/52/823861152.db2.gz ISDQUDGCNMFGNX-YLJYHZDGSA-N 1 2 387.842 4.073 20 0 GIADLO COc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c(Cl)c(OC)c1 ZINC000413960496 823878504 /nfs/dbraw/zinc/87/85/04/823878504.db2.gz RUBZOCGJCZKNES-KRWDZBQOSA-N 1 2 383.275 4.252 20 0 GIADLO COc1cccc(F)c1[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462221118 823879062 /nfs/dbraw/zinc/87/90/62/823879062.db2.gz IDJPJWCKRIRUAS-LSDHHAIUSA-N 1 2 391.512 4.045 20 0 GIADLO COc1cccc([C@H]([NH2+]CC(=O)N2CCC(C)CC2)c2ccccc2Cl)c1 ZINC000462240055 823890965 /nfs/dbraw/zinc/89/09/65/823890965.db2.gz UJUPCXOKVSHTMP-QFIPXVFZSA-N 1 2 386.923 4.286 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)CC1 ZINC000462244354 823893250 /nfs/dbraw/zinc/89/32/50/823893250.db2.gz LBVZWKOJKPQBNA-INIZCTEOSA-N 1 2 393.516 4.116 20 0 GIADLO Cc1ccccc1Cn1c2ccccc2[nH+]c1NCc1ccc(C(=O)N(C)C)[nH]1 ZINC000167836269 823896412 /nfs/dbraw/zinc/89/64/12/823896412.db2.gz RAVVETMGIDIHHC-UHFFFAOYSA-N 1 2 387.487 4.035 20 0 GIADLO COc1cc(OC)c([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1Cl ZINC000168021876 823899391 /nfs/dbraw/zinc/89/93/91/823899391.db2.gz DAPWTKRZHUIBHY-DOMZBBRYSA-N 1 2 378.904 4.258 20 0 GIADLO O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000168161427 823900973 /nfs/dbraw/zinc/90/09/73/823900973.db2.gz MMYXHEMGIDXJJG-QZTJIDSGSA-N 1 2 385.471 4.205 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccccc2COCc2ccccc2)s1 ZINC000414072752 823901838 /nfs/dbraw/zinc/90/18/38/823901838.db2.gz VFGVJLPMHLBWOF-INIZCTEOSA-N 1 2 396.512 4.497 20 0 GIADLO C[C@@H]([NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc2n(n1)CCC2 ZINC000414071874 823902164 /nfs/dbraw/zinc/90/21/64/823902164.db2.gz KYGZZCULZQAWRQ-ZHRRBRCNSA-N 1 2 389.478 4.410 20 0 GIADLO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1Cc1ccccc1 ZINC000126581309 823904959 /nfs/dbraw/zinc/90/49/59/823904959.db2.gz IMZHPPGIXCCQTE-VGSWGCGISA-N 1 2 376.504 4.073 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000414084956 823905531 /nfs/dbraw/zinc/90/55/31/823905531.db2.gz YGMRHKBNBKJGER-MNOVXSKESA-N 1 2 388.411 4.283 20 0 GIADLO CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462269219 823907221 /nfs/dbraw/zinc/90/72/21/823907221.db2.gz JYYDBVINWGRFMA-CQSZACIVSA-N 1 2 377.485 4.197 20 0 GIADLO CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462269218 823907399 /nfs/dbraw/zinc/90/73/99/823907399.db2.gz JYYDBVINWGRFMA-AWEZNQCLSA-N 1 2 377.485 4.197 20 0 GIADLO Cc1ccc(-c2nnco2)cc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462273460 823909330 /nfs/dbraw/zinc/90/93/30/823909330.db2.gz QBPQCLKNEOCIJM-OAHLLOKOSA-N 1 2 397.504 4.017 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]C2(c3cccc(Br)c3)CC2)s1 ZINC000414102666 823910114 /nfs/dbraw/zinc/91/01/14/823910114.db2.gz VVVPOZPWYIAYTD-JTQLQIEISA-N 1 2 381.295 4.032 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(Cc2ccc(C)cc2)n1 ZINC000192247840 823916101 /nfs/dbraw/zinc/91/61/01/823916101.db2.gz PDDSUMJLCDCKGB-UHFFFAOYSA-N 1 2 396.560 4.354 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(Br)c2)s1 ZINC000414133290 823916585 /nfs/dbraw/zinc/91/65/85/823916585.db2.gz GNKULPDIBAJQII-DTWKUNHWSA-N 1 2 387.274 4.243 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000575121577 823917636 /nfs/dbraw/zinc/91/76/36/823917636.db2.gz YNYPEUQVGSGPFV-UHFFFAOYSA-N 1 2 376.766 4.037 20 0 GIADLO Cc1cc(C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)nc(N2CCCC2)n1 ZINC000414137667 823917721 /nfs/dbraw/zinc/91/77/21/823917721.db2.gz KAPOIAKIVGOLGI-INIZCTEOSA-N 1 2 379.533 4.360 20 0 GIADLO C[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1csc(-c2ccccc2)n1 ZINC000414138376 823917854 /nfs/dbraw/zinc/91/78/54/823917854.db2.gz GUFCXCXGDYPEGG-DLBZAZTESA-N 1 2 395.528 4.471 20 0 GIADLO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170250629 823918651 /nfs/dbraw/zinc/91/86/51/823918651.db2.gz KAUVEALAGVEYAL-SECBINFHSA-N 1 2 377.288 4.122 20 0 GIADLO C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1cncc(Br)c1 ZINC000575138774 823921051 /nfs/dbraw/zinc/92/10/51/823921051.db2.gz MICHXNZFJMUPLO-OAHLLOKOSA-N 1 2 385.309 4.134 20 0 GIADLO Cn1cc[nH+]c1[C@H]1CCC[C@]2(C1)Nc1ccccc1C(=O)N2Cc1ccco1 ZINC000414167465 823921708 /nfs/dbraw/zinc/92/17/08/823921708.db2.gz PGFGLYVBIRDOSH-AOMKIAJQSA-N 1 2 376.460 4.135 20 0 GIADLO CCCOc1c(Cl)cc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1OC ZINC000064998581 823923130 /nfs/dbraw/zinc/92/31/30/823923130.db2.gz KNFKYQHYTJNILT-UHFFFAOYSA-N 1 2 392.883 4.088 20 0 GIADLO Cc1c(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cnn1-c1cc(C)ccc1C ZINC000575169895 823930171 /nfs/dbraw/zinc/93/01/71/823930171.db2.gz RTCZRDVQKYZNPD-UHFFFAOYSA-N 1 2 399.498 4.224 20 0 GIADLO C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000575170846 823930648 /nfs/dbraw/zinc/93/06/48/823930648.db2.gz NXCCFUDMQIXRHE-JOCHJYFZSA-N 1 2 393.466 4.095 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000192281482 823931486 /nfs/dbraw/zinc/93/14/86/823931486.db2.gz QZMMLMFNZUQNSO-UHFFFAOYSA-N 1 2 382.430 4.086 20 0 GIADLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc4cccnc43)c2C1 ZINC000462352305 823936455 /nfs/dbraw/zinc/93/64/55/823936455.db2.gz LKFOXCZAQQNLNK-MRXNPFEDSA-N 1 2 395.528 4.396 20 0 GIADLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc4cccnc43)c2C1 ZINC000462352305 823936464 /nfs/dbraw/zinc/93/64/64/823936464.db2.gz LKFOXCZAQQNLNK-MRXNPFEDSA-N 1 2 395.528 4.396 20 0 GIADLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc4ncccc4c3)c2C1 ZINC000462353537 823937292 /nfs/dbraw/zinc/93/72/92/823937292.db2.gz SANYQSBMHYVMTP-INIZCTEOSA-N 1 2 395.528 4.396 20 0 GIADLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc4ncccc4c3)c2C1 ZINC000462353537 823937298 /nfs/dbraw/zinc/93/72/98/823937298.db2.gz SANYQSBMHYVMTP-INIZCTEOSA-N 1 2 395.528 4.396 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(F)c(Cl)cc1Cl ZINC000126746760 823941028 /nfs/dbraw/zinc/94/10/28/823941028.db2.gz MNKUBWMVRJDLJX-UHFFFAOYSA-N 1 2 382.266 4.448 20 0 GIADLO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000575222169 823944677 /nfs/dbraw/zinc/94/46/77/823944677.db2.gz STZGWBVJKWGAIK-UHFFFAOYSA-N 1 2 394.262 4.015 20 0 GIADLO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000192363335 823959515 /nfs/dbraw/zinc/95/95/15/823959515.db2.gz COUIKRRFPGIVIN-OAHLLOKOSA-N 1 2 375.350 4.027 20 0 GIADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc4c(C(C)C)nn(C)c4s3)CC2)c1 ZINC000462405687 823961620 /nfs/dbraw/zinc/96/16/20/823961620.db2.gz FDXMTJWIEBEDME-UHFFFAOYSA-N 1 2 396.560 4.025 20 0 GIADLO Brc1cncc(Br)c1C[NH2+]C1(c2ccccc2)CC1 ZINC000414344955 823961725 /nfs/dbraw/zinc/96/17/25/823961725.db2.gz KSPHUVJPRFFAKG-UHFFFAOYSA-N 1 2 382.099 4.386 20 0 GIADLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CCC1(F)F ZINC000575369891 823963542 /nfs/dbraw/zinc/96/35/42/823963542.db2.gz DWCMREXUGZNDGH-CYBMUJFWSA-N 1 2 382.838 4.193 20 0 GIADLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CCC1(F)F ZINC000575369891 823963550 /nfs/dbraw/zinc/96/35/50/823963550.db2.gz DWCMREXUGZNDGH-CYBMUJFWSA-N 1 2 382.838 4.193 20 0 GIADLO Cc1cc(C[NH2+]Cc2ccc(Oc3ccccc3C(F)(F)F)nc2)nn1C ZINC000414362847 823965391 /nfs/dbraw/zinc/96/53/91/823965391.db2.gz WKRXBLOIGRXLEC-UHFFFAOYSA-N 1 2 376.382 4.224 20 0 GIADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000575434965 823970671 /nfs/dbraw/zinc/97/06/71/823970671.db2.gz ZYZTZWYPZDVYKH-RDJZCZTQSA-N 1 2 398.334 4.177 20 0 GIADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000575434965 823970678 /nfs/dbraw/zinc/97/06/78/823970678.db2.gz ZYZTZWYPZDVYKH-RDJZCZTQSA-N 1 2 398.334 4.177 20 0 GIADLO COc1ccc2c(c1)[C@@H]([N@H+](Cc1ccccc1)Cc1ccc(C)nn1)CCO2 ZINC000414396806 823971409 /nfs/dbraw/zinc/97/14/09/823971409.db2.gz NHHQJSPVDZQJLI-QFIPXVFZSA-N 1 2 375.472 4.320 20 0 GIADLO COc1ccc2c(c1)[C@@H]([N@@H+](Cc1ccccc1)Cc1ccc(C)nn1)CCO2 ZINC000414396806 823971419 /nfs/dbraw/zinc/97/14/19/823971419.db2.gz NHHQJSPVDZQJLI-QFIPXVFZSA-N 1 2 375.472 4.320 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000126890200 823975008 /nfs/dbraw/zinc/97/50/08/823975008.db2.gz LAWWWLURHIHYAO-NHCUHLMSSA-N 1 2 393.487 4.033 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccnc3ccccc32)C[C@H](C)O1 ZINC000126938951 823985385 /nfs/dbraw/zinc/98/53/85/823985385.db2.gz RESQFFVKZDMVCR-IRXDYDNUSA-N 1 2 375.472 4.096 20 0 GIADLO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000414453527 823987896 /nfs/dbraw/zinc/98/78/96/823987896.db2.gz PCXZOZDLDUQDGJ-UHFFFAOYSA-N 1 2 382.361 4.352 20 0 GIADLO CCc1ncc(C[N@H+](C)Cc2cccc(OC)c2OCc2ccccc2F)cn1 ZINC000414453231 823988112 /nfs/dbraw/zinc/98/81/12/823988112.db2.gz QKTMLVBXSPJSNN-UHFFFAOYSA-N 1 2 395.478 4.398 20 0 GIADLO CCc1ncc(C[N@@H+](C)Cc2cccc(OC)c2OCc2ccccc2F)cn1 ZINC000414453231 823988117 /nfs/dbraw/zinc/98/81/17/823988117.db2.gz QKTMLVBXSPJSNN-UHFFFAOYSA-N 1 2 395.478 4.398 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc(C(F)(F)F)ccn2)CC1 ZINC000192426895 823988501 /nfs/dbraw/zinc/98/85/01/823988501.db2.gz CKRYFLNXLBFQOP-LBPRGKRZSA-N 1 2 384.427 4.073 20 0 GIADLO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)c1 ZINC000414491057 823994198 /nfs/dbraw/zinc/99/41/98/823994198.db2.gz BSJNQQAXXOMEPS-GFCCVEGCSA-N 1 2 398.981 4.005 20 0 GIADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192463454 824000916 /nfs/dbraw/zinc/00/09/16/824000916.db2.gz RCUUMPYYLOJRKT-MRXNPFEDSA-N 1 2 398.478 4.146 20 0 GIADLO O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000170898432 824002789 /nfs/dbraw/zinc/00/27/89/824002789.db2.gz ZNPUYTAPBDNPTO-NRFANRHFSA-N 1 2 378.451 4.158 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cccc(SC)c3)CC2)c1 ZINC000170902691 824003189 /nfs/dbraw/zinc/00/31/89/824003189.db2.gz CHSDRCFZUXUUPV-INIZCTEOSA-N 1 2 385.533 4.328 20 0 GIADLO O=C(NC1CC[NH+](Cc2cc(F)ccc2Br)CC1)c1ccsc1 ZINC000170913986 824004194 /nfs/dbraw/zinc/00/41/94/824004194.db2.gz DMHMOJFAKMDCQS-UHFFFAOYSA-N 1 2 397.313 4.044 20 0 GIADLO O=C1CCCN1c1cccc(C[NH2+]Cc2c(F)cccc2Br)c1 ZINC000192473109 824004403 /nfs/dbraw/zinc/00/44/03/824004403.db2.gz FDTAWNWYDMPBLP-UHFFFAOYSA-N 1 2 377.257 4.005 20 0 GIADLO Cc1cc(-c2noc(C[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)n2)ccc1F ZINC000192473093 824004502 /nfs/dbraw/zinc/00/45/02/824004502.db2.gz ASOAZVNLZDOYIS-UHFFFAOYSA-N 1 2 397.425 4.418 20 0 GIADLO CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000192474667 824005030 /nfs/dbraw/zinc/00/50/30/824005030.db2.gz OOGYMVZWUYDJHI-INIZCTEOSA-N 1 2 398.478 4.146 20 0 GIADLO Cc1ccc(-c2[nH]nc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)c2C)o1 ZINC000192480254 824007099 /nfs/dbraw/zinc/00/70/99/824007099.db2.gz YOVOVJWDVPBOIM-KRWDZBQOSA-N 1 2 382.439 4.029 20 0 GIADLO Cc1ccc(-c2[nH]nc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)c2C)o1 ZINC000192480254 824007104 /nfs/dbraw/zinc/00/71/04/824007104.db2.gz YOVOVJWDVPBOIM-KRWDZBQOSA-N 1 2 382.439 4.029 20 0 GIADLO CCc1c(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cnn1C1CCCC1 ZINC000575834012 824007173 /nfs/dbraw/zinc/00/71/73/824007173.db2.gz SNKSXFGVMSNNNN-UHFFFAOYSA-N 1 2 397.910 4.330 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1csnn1 ZINC000414548199 824008490 /nfs/dbraw/zinc/00/84/90/824008490.db2.gz JIGAJIWCNQCFNQ-QPUJVOFHSA-N 1 2 385.333 4.261 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1coc(Br)c1 ZINC000192494598 824010326 /nfs/dbraw/zinc/01/03/26/824010326.db2.gz APPJGWLOXAHXLQ-UHFFFAOYSA-N 1 2 386.249 4.494 20 0 GIADLO CC[N@H+](Cc1cccc(C(=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000414636979 824019463 /nfs/dbraw/zinc/01/94/63/824019463.db2.gz KZEONLMLRXCZRA-UHFFFAOYSA-N 1 2 396.535 4.098 20 0 GIADLO CC[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000414636979 824019469 /nfs/dbraw/zinc/01/94/69/824019469.db2.gz KZEONLMLRXCZRA-UHFFFAOYSA-N 1 2 396.535 4.098 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000192529992 824020986 /nfs/dbraw/zinc/02/09/86/824020986.db2.gz GGYZWZCVDDTFDH-RBUKOAKNSA-N 1 2 399.416 4.370 20 0 GIADLO C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)c1cc2ccccc2s1 ZINC000170968935 824022836 /nfs/dbraw/zinc/02/28/36/824022836.db2.gz XMFULWTXKLOUCB-ZHRRBRCNSA-N 1 2 394.540 4.277 20 0 GIADLO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000575910978 824027545 /nfs/dbraw/zinc/02/75/45/824027545.db2.gz QBVQJCHYCUNNOM-HNNXBMFYSA-N 1 2 399.292 4.466 20 0 GIADLO O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127155690 824028296 /nfs/dbraw/zinc/02/82/96/824028296.db2.gz ISERZKYHWKVGCF-PCJMVEANSA-N 1 2 396.796 4.361 20 0 GIADLO C[C@H](CC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C)n1cc[nH+]c1 ZINC000575926021 824030543 /nfs/dbraw/zinc/03/05/43/824030543.db2.gz IYYBJBGQUMUNLZ-PXAZEXFGSA-N 1 2 376.298 4.037 20 0 GIADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000575956765 824037234 /nfs/dbraw/zinc/03/72/34/824037234.db2.gz WXHMAGJNEUHTMF-DOTOQJQBSA-N 1 2 384.842 4.251 20 0 GIADLO FC(F)Oc1ccccc1C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000192595118 824040950 /nfs/dbraw/zinc/04/09/50/824040950.db2.gz CTCBKEFGYDGUCN-UHFFFAOYSA-N 1 2 387.352 4.024 20 0 GIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc4ccccc4cn2)CC3)cc1 ZINC001164671427 719498397 /nfs/dbraw/zinc/49/83/97/719498397.db2.gz FJLLZQMECVLMDI-UHFFFAOYSA-N 1 2 391.490 4.245 20 0 GIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc4ccccc4cn2)CC3)cc1 ZINC001164671427 719498403 /nfs/dbraw/zinc/49/84/03/719498403.db2.gz FJLLZQMECVLMDI-UHFFFAOYSA-N 1 2 391.490 4.245 20 0 GIADLO Cc1cccnc1OC1CC[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000570488097 823045110 /nfs/dbraw/zinc/04/51/10/823045110.db2.gz KXEHFRFFEVCUBR-UHFFFAOYSA-N 1 2 384.867 4.137 20 0 GIADLO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000458495993 823047588 /nfs/dbraw/zinc/04/75/88/823047588.db2.gz XRWYOSHOWCCSRX-IRXDYDNUSA-N 1 2 380.467 4.345 20 0 GIADLO CC(C)c1cnc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)s1 ZINC000187379059 823052761 /nfs/dbraw/zinc/05/27/61/823052761.db2.gz ATSFECPLJHETMU-CYBMUJFWSA-N 1 2 383.439 4.180 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000120825235 823072012 /nfs/dbraw/zinc/07/20/12/823072012.db2.gz DLVPMZJMQQHQPK-QZTJIDSGSA-N 1 2 389.540 4.010 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000120825235 823072014 /nfs/dbraw/zinc/07/20/14/823072014.db2.gz DLVPMZJMQQHQPK-QZTJIDSGSA-N 1 2 389.540 4.010 20 0 GIADLO O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000570687727 823072039 /nfs/dbraw/zinc/07/20/39/823072039.db2.gz ZTOLWUMGSFPUIX-OAHLLOKOSA-N 1 2 391.437 4.093 20 0 GIADLO CC(C)[N@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C1CCCCC1 ZINC000120835091 823073759 /nfs/dbraw/zinc/07/37/59/823073759.db2.gz SAJRYAYCEYPMAM-UHFFFAOYSA-N 1 2 376.501 4.473 20 0 GIADLO CC(C)[N@@H+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C1CCCCC1 ZINC000120835091 823073765 /nfs/dbraw/zinc/07/37/65/823073765.db2.gz SAJRYAYCEYPMAM-UHFFFAOYSA-N 1 2 376.501 4.473 20 0 GIADLO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000120841699 823074943 /nfs/dbraw/zinc/07/49/43/823074943.db2.gz UUEDGQOWSSXPMD-UHFFFAOYSA-N 1 2 388.682 4.086 20 0 GIADLO CCOC(=O)C1CC[NH+]([C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000120880852 823081609 /nfs/dbraw/zinc/08/16/09/823081609.db2.gz XEWGUBINTPIPGG-LLVKDONJSA-N 1 2 398.290 4.380 20 0 GIADLO CCCC(C)(C)CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000570747408 823080270 /nfs/dbraw/zinc/08/02/70/823080270.db2.gz DZRDHWIUESLLQU-UHFFFAOYSA-N 1 2 396.329 4.484 20 0 GIADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175952827 823081088 /nfs/dbraw/zinc/08/10/88/823081088.db2.gz BPZSWPWXPXVTHI-UGKGYDQZSA-N 1 2 391.515 4.445 20 0 GIADLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175952827 823081093 /nfs/dbraw/zinc/08/10/93/823081093.db2.gz BPZSWPWXPXVTHI-UGKGYDQZSA-N 1 2 391.515 4.445 20 0 GIADLO C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000570764253 823083303 /nfs/dbraw/zinc/08/33/03/823083303.db2.gz RPOZGEAPWNBAKJ-CYBMUJFWSA-N 1 2 376.382 4.448 20 0 GIADLO Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000056132697 823086846 /nfs/dbraw/zinc/08/68/46/823086846.db2.gz WDRNQNVFSXNFQW-JOCHJYFZSA-N 1 2 399.498 4.186 20 0 GIADLO COc1ccccc1SCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000120952926 823091908 /nfs/dbraw/zinc/09/19/08/823091908.db2.gz CKAWCPMOQYASGV-CQSZACIVSA-N 1 2 391.562 4.114 20 0 GIADLO COc1ccccc1SCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000120952926 823091912 /nfs/dbraw/zinc/09/19/12/823091912.db2.gz CKAWCPMOQYASGV-CQSZACIVSA-N 1 2 391.562 4.114 20 0 GIADLO COc1ccccc1SCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000120953085 823092038 /nfs/dbraw/zinc/09/20/38/823092038.db2.gz CKAWCPMOQYASGV-AWEZNQCLSA-N 1 2 391.562 4.114 20 0 GIADLO COc1ccccc1SCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000120953085 823092039 /nfs/dbraw/zinc/09/20/39/823092039.db2.gz CKAWCPMOQYASGV-AWEZNQCLSA-N 1 2 391.562 4.114 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000120980706 823097003 /nfs/dbraw/zinc/09/70/03/823097003.db2.gz JXZNEKHTWSFDIM-AWEZNQCLSA-N 1 2 388.537 4.165 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000120980706 823097009 /nfs/dbraw/zinc/09/70/09/823097009.db2.gz JXZNEKHTWSFDIM-AWEZNQCLSA-N 1 2 388.537 4.165 20 0 GIADLO Cc1csc(C(C)(C)NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)n1 ZINC000458879147 823101076 /nfs/dbraw/zinc/10/10/76/823101076.db2.gz IULZINWIECZWCH-UHFFFAOYSA-N 1 2 389.912 4.025 20 0 GIADLO COc1cccc(Nc2ccccc2C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000121008914 823102075 /nfs/dbraw/zinc/10/20/75/823102075.db2.gz QJTJWQVZHJKAFE-HXUWFJFHSA-N 1 2 389.455 4.127 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C[C@H](c2ccsc2)O1 ZINC000121048195 823108818 /nfs/dbraw/zinc/10/88/18/823108818.db2.gz KEBQHMHHWUFNHE-RDTXWAMCSA-N 1 2 376.547 4.484 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)C[C@H](c2ccsc2)O1 ZINC000121048195 823108822 /nfs/dbraw/zinc/10/88/22/823108822.db2.gz KEBQHMHHWUFNHE-RDTXWAMCSA-N 1 2 376.547 4.484 20 0 GIADLO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000121041431 823107377 /nfs/dbraw/zinc/10/73/77/823107377.db2.gz VQUZXUWMXIPUCI-MRXNPFEDSA-N 1 2 381.451 4.404 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+]([C@@H](C)c4cccnc4)CC3)o2)cc1C ZINC000121077110 823113999 /nfs/dbraw/zinc/11/39/99/823113999.db2.gz SZVLOYTZBWASNF-OALUTQOASA-N 1 2 391.519 4.188 20 0 GIADLO C[C@@H](CCNC(=O)N(C)CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000121069981 823112590 /nfs/dbraw/zinc/11/25/90/823112590.db2.gz MTNIVFLWLSQNQR-HNNXBMFYSA-N 1 2 382.430 4.127 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000121085654 823115814 /nfs/dbraw/zinc/11/58/14/823115814.db2.gz YXXRQEXZXIFCJT-HNNXBMFYSA-N 1 2 396.578 4.050 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000121085654 823115817 /nfs/dbraw/zinc/11/58/17/823115817.db2.gz YXXRQEXZXIFCJT-HNNXBMFYSA-N 1 2 396.578 4.050 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N1CCc2sccc2C1 ZINC000121132761 823124019 /nfs/dbraw/zinc/12/40/19/823124019.db2.gz FJGLBHZNOAPKRT-CQSZACIVSA-N 1 2 377.579 4.214 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N1CCc2sccc2C1 ZINC000121132761 823124020 /nfs/dbraw/zinc/12/40/20/823124020.db2.gz FJGLBHZNOAPKRT-CQSZACIVSA-N 1 2 377.579 4.214 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000121190085 823135318 /nfs/dbraw/zinc/13/53/18/823135318.db2.gz MLZNBYYAJXPJSG-KBPBESRZSA-N 1 2 391.503 4.369 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000121190085 823135323 /nfs/dbraw/zinc/13/53/23/823135323.db2.gz MLZNBYYAJXPJSG-KBPBESRZSA-N 1 2 391.503 4.369 20 0 GIADLO Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC000571093617 823131200 /nfs/dbraw/zinc/13/12/00/823131200.db2.gz FTPCEWZSDOSBIS-CYBMUJFWSA-N 1 2 391.397 4.294 20 0 GIADLO COc1cc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc(OC)c1C(C)C ZINC000571097371 823131847 /nfs/dbraw/zinc/13/18/47/823131847.db2.gz LBQSREFCZIRSHW-UHFFFAOYSA-N 1 2 393.487 4.253 20 0 GIADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000571103293 823132692 /nfs/dbraw/zinc/13/26/92/823132692.db2.gz OWHWFRFRPPQAGM-RBUKOAKNSA-N 1 2 394.519 4.167 20 0 GIADLO CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000187810041 823138351 /nfs/dbraw/zinc/13/83/51/823138351.db2.gz RHPQKOBFWLNDJW-UHFFFAOYSA-N 1 2 391.519 4.285 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000176159430 823139614 /nfs/dbraw/zinc/13/96/14/823139614.db2.gz ROYVILCELIVILF-INIZCTEOSA-N 1 2 375.428 4.451 20 0 GIADLO O=C(/C=C/c1ccc[nH]1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000187852979 823146690 /nfs/dbraw/zinc/14/66/90/823146690.db2.gz PPTBTVCWHQTAKO-BQYQJAHWSA-N 1 2 386.858 4.136 20 0 GIADLO COc1cccc(COc2cccc(NC(=O)C[C@H](C)n3cc[nH+]c3)c2C)c1 ZINC000571214427 823149758 /nfs/dbraw/zinc/14/97/58/823149758.db2.gz KDYYPJWUGYUESZ-INIZCTEOSA-N 1 2 379.460 4.369 20 0 GIADLO Cc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1OCC(F)(F)F ZINC000121321702 823163044 /nfs/dbraw/zinc/16/30/44/823163044.db2.gz PPMXHRDXBMDDIE-UHFFFAOYSA-N 1 2 389.377 4.433 20 0 GIADLO CCCc1csc(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)n1 ZINC000571327730 823165875 /nfs/dbraw/zinc/16/58/75/823165875.db2.gz DFLBYUFUXNQQFP-LJQANCHMSA-N 1 2 385.577 4.199 20 0 GIADLO CCCc1csc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)n1 ZINC000571327730 823165879 /nfs/dbraw/zinc/16/58/79/823165879.db2.gz DFLBYUFUXNQQFP-LJQANCHMSA-N 1 2 385.577 4.199 20 0 GIADLO COc1ccccc1Oc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1F ZINC000056560567 823170019 /nfs/dbraw/zinc/17/00/19/823170019.db2.gz YXABJVMREULFAN-UHFFFAOYSA-N 1 2 396.422 4.255 20 0 GIADLO CC(C)([NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3)c1ccc(F)c(F)c1 ZINC000571408964 823178821 /nfs/dbraw/zinc/17/88/21/823178821.db2.gz ZRLDNWYDFPWLHZ-UHFFFAOYSA-N 1 2 388.487 4.455 20 0 GIADLO CC(C)CC(=O)Nc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056607273 823179506 /nfs/dbraw/zinc/17/95/06/823179506.db2.gz HHHFHVZXLTZOMA-UHFFFAOYSA-N 1 2 391.475 4.179 20 0 GIADLO C[N@H+](Cc1cnc(-c2cccs2)s1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000188084012 823183883 /nfs/dbraw/zinc/18/38/83/823183883.db2.gz CUODLTOUKCOHFA-QGZVFWFLSA-N 1 2 383.542 4.105 20 0 GIADLO C[N@@H+](Cc1cnc(-c2cccs2)s1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000188084012 823183887 /nfs/dbraw/zinc/18/38/87/823183887.db2.gz CUODLTOUKCOHFA-QGZVFWFLSA-N 1 2 383.542 4.105 20 0 GIADLO Cn1c[nH+]c(CCNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)c1 ZINC000459419425 823188640 /nfs/dbraw/zinc/18/86/40/823188640.db2.gz UCZIJSRZGVPCMQ-UHFFFAOYSA-N 1 2 392.834 4.092 20 0 GIADLO Cc1ccc2nc(C[N@H+](Cc3c(F)cccc3F)C3CCCC3)cc(=O)n2c1 ZINC000571470632 823187351 /nfs/dbraw/zinc/18/73/51/823187351.db2.gz XARJBXSKXBIZIY-UHFFFAOYSA-N 1 2 383.442 4.226 20 0 GIADLO Cc1ccc2nc(C[N@@H+](Cc3c(F)cccc3F)C3CCCC3)cc(=O)n2c1 ZINC000571470632 823187353 /nfs/dbraw/zinc/18/73/53/823187353.db2.gz XARJBXSKXBIZIY-UHFFFAOYSA-N 1 2 383.442 4.226 20 0 GIADLO O[C@H]([C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2)C1)C(F)(F)F ZINC000459431658 823190928 /nfs/dbraw/zinc/19/09/28/823190928.db2.gz SEEDDPYWLDGTEJ-ZWNOBZJWSA-N 1 2 386.639 4.238 20 0 GIADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1)C(F)(F)F ZINC000459431658 823190930 /nfs/dbraw/zinc/19/09/30/823190930.db2.gz SEEDDPYWLDGTEJ-ZWNOBZJWSA-N 1 2 386.639 4.238 20 0 GIADLO C[C@@H](CNC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)Cn1cc[nH+]c1 ZINC000176382463 823195010 /nfs/dbraw/zinc/19/50/10/823195010.db2.gz JQTVAQSNCIOPEN-ZDUSSCGKSA-N 1 2 391.443 4.279 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459465486 823197950 /nfs/dbraw/zinc/19/79/50/823197950.db2.gz NKCHCGLDYKCISM-PZJWPPBQSA-N 1 2 394.519 4.027 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2ccc(N3CCCC3=O)cc2)no1)c1cccc(Cl)c1 ZINC000571563333 823200752 /nfs/dbraw/zinc/20/07/52/823200752.db2.gz BAFDAULQVUAFQT-IBGZPJMESA-N 1 2 396.878 4.168 20 0 GIADLO O[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000188213381 823204195 /nfs/dbraw/zinc/20/41/95/823204195.db2.gz WOXMKJLHYYLIPI-NVXWUHKLSA-N 1 2 380.250 4.268 20 0 GIADLO O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121554794 823204783 /nfs/dbraw/zinc/20/47/83/823204783.db2.gz XOZUFFLNVHTGDI-ZDUSSCGKSA-N 1 2 376.243 4.163 20 0 GIADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000459499528 823205183 /nfs/dbraw/zinc/20/51/83/823205183.db2.gz FJCWYIVLYHPEHZ-UHFFFAOYSA-N 1 2 392.268 4.389 20 0 GIADLO C[C@H](c1ccc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1)C(F)(F)F ZINC000459500843 823205509 /nfs/dbraw/zinc/20/55/09/823205509.db2.gz HTUYZCHGZORMHY-UONOGXRCSA-N 1 2 397.466 4.155 20 0 GIADLO C[C@H](c1ccc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1)C(F)(F)F ZINC000459500843 823205512 /nfs/dbraw/zinc/20/55/12/823205512.db2.gz HTUYZCHGZORMHY-UONOGXRCSA-N 1 2 397.466 4.155 20 0 GIADLO CCc1oc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)cc1C(=O)OC ZINC000571601247 823206055 /nfs/dbraw/zinc/20/60/55/823206055.db2.gz SAGVFMRIOHYFJF-UHFFFAOYSA-N 1 2 393.443 4.081 20 0 GIADLO CCN(C(=O)C[NH+]1CCC(F)(c2ccccn2)CC1)c1nc2ccccc2s1 ZINC000571602062 823206083 /nfs/dbraw/zinc/20/60/83/823206083.db2.gz KIEDDTFAXTZDBE-UHFFFAOYSA-N 1 2 398.507 4.005 20 0 GIADLO CCS[C@H](C)c1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459516200 823209295 /nfs/dbraw/zinc/20/92/95/823209295.db2.gz BIFLHXMMVZYHGS-QAPCUYQASA-N 1 2 375.538 4.267 20 0 GIADLO CC(=O)CCCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000121592919 823212761 /nfs/dbraw/zinc/21/27/61/823212761.db2.gz MIRFJZFFWCRFHT-AWEZNQCLSA-N 1 2 380.945 4.395 20 0 GIADLO COC(=O)c1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1c(C)cccc1C(C)C)C2 ZINC000459539123 823215314 /nfs/dbraw/zinc/21/53/14/823215314.db2.gz PKUBGNRBPFDJNO-KRWDZBQOSA-N 1 2 394.515 4.290 20 0 GIADLO COC(=O)c1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1c(C)cccc1C(C)C)C2 ZINC000459539123 823215316 /nfs/dbraw/zinc/21/53/16/823215316.db2.gz PKUBGNRBPFDJNO-KRWDZBQOSA-N 1 2 394.515 4.290 20 0 GIADLO COCOc1ccc(OC)cc1C[NH2+][C@@H](c1cccc(C)c1)c1ccccn1 ZINC000121612302 823215869 /nfs/dbraw/zinc/21/58/69/823215869.db2.gz WLAJJJMMNDGOCV-QHCPKHFHSA-N 1 2 378.472 4.261 20 0 GIADLO Clc1cccc([C@H](Cc2cccnc2)Nc2ccc(N3CCOCC3)c[nH+]2)c1 ZINC000571712285 823222930 /nfs/dbraw/zinc/22/29/30/823222930.db2.gz UUGLPTAPEMCBLS-NRFANRHFSA-N 1 2 394.906 4.363 20 0 GIADLO Cc1nc(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)sc1Br ZINC000459558584 823220133 /nfs/dbraw/zinc/22/01/33/823220133.db2.gz AKYOYHGKRSNVAA-UHFFFAOYSA-N 1 2 397.367 4.399 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1)Nc1cc(Cl)ccc1Cl ZINC000121636242 823220304 /nfs/dbraw/zinc/22/03/04/823220304.db2.gz DPAPXOCYNIQYHW-GOSISDBHSA-N 1 2 395.286 4.101 20 0 GIADLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1)Nc1cc(Cl)ccc1Cl ZINC000121636242 823220308 /nfs/dbraw/zinc/22/03/08/823220308.db2.gz DPAPXOCYNIQYHW-GOSISDBHSA-N 1 2 395.286 4.101 20 0 GIADLO Cc1sc2nc([C@H](C)[N@@H+]3CC[C@](C)(C(=O)OC(C)(C)C)C3)[nH]c(=O)c2c1C ZINC000459571820 823223023 /nfs/dbraw/zinc/22/30/23/823223023.db2.gz CZENRCNCMSKNMA-YUNKPMOVSA-N 1 2 391.537 4.128 20 0 GIADLO Cc1sc2nc([C@H](C)[N@H+]3CC[C@](C)(C(=O)OC(C)(C)C)C3)[nH]c(=O)c2c1C ZINC000459571820 823223029 /nfs/dbraw/zinc/22/30/29/823223029.db2.gz CZENRCNCMSKNMA-YUNKPMOVSA-N 1 2 391.537 4.128 20 0 GIADLO CCOc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc(Br)c1O ZINC000459560644 823220384 /nfs/dbraw/zinc/22/03/84/823220384.db2.gz JZPYXNAGOJXEGW-CRAIPNDOSA-N 1 2 396.325 4.087 20 0 GIADLO CCOc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc(Br)c1O ZINC000459560644 823220386 /nfs/dbraw/zinc/22/03/86/823220386.db2.gz JZPYXNAGOJXEGW-CRAIPNDOSA-N 1 2 396.325 4.087 20 0 GIADLO Cn1c[nH+]cc1CNC(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000571697133 823220557 /nfs/dbraw/zinc/22/05/57/823220557.db2.gz QKGWECGNGVCPDW-GOSISDBHSA-N 1 2 389.883 4.362 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CCCS(=O)(=O)c2ccc(F)cc2)s1 ZINC000409449604 823221261 /nfs/dbraw/zinc/22/12/61/823221261.db2.gz VAJBAYCVHOCWDI-CQSZACIVSA-N 1 2 384.542 4.010 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCS(=O)(=O)c2ccc(F)cc2)s1 ZINC000409449604 823221268 /nfs/dbraw/zinc/22/12/68/823221268.db2.gz VAJBAYCVHOCWDI-CQSZACIVSA-N 1 2 384.542 4.010 20 0 GIADLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409451047 823221533 /nfs/dbraw/zinc/22/15/33/823221533.db2.gz DLIDNAAJKFGXDJ-MMOPVJDHSA-N 1 2 387.499 4.105 20 0 GIADLO COCc1cc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2Br)no1 ZINC000459579475 823224277 /nfs/dbraw/zinc/22/42/77/823224277.db2.gz ZNKBXMJRICMPAF-MRXNPFEDSA-N 1 2 379.298 4.181 20 0 GIADLO COCc1cc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2Br)no1 ZINC000459579475 823224282 /nfs/dbraw/zinc/22/42/82/823224282.db2.gz ZNKBXMJRICMPAF-MRXNPFEDSA-N 1 2 379.298 4.181 20 0 GIADLO Brc1cccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@@H]3CCCO3)o2)c1 ZINC000571721060 823224883 /nfs/dbraw/zinc/22/48/83/823224883.db2.gz CRNZBSZMRFRQLU-HKUYNNGSSA-N 1 2 392.293 4.089 20 0 GIADLO Brc1cccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@@H]3CCCO3)o2)c1 ZINC000571721060 823224886 /nfs/dbraw/zinc/22/48/86/823224886.db2.gz CRNZBSZMRFRQLU-HKUYNNGSSA-N 1 2 392.293 4.089 20 0 GIADLO CC1(C)Cc2ccsc2C[N@@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000459580898 823225167 /nfs/dbraw/zinc/22/51/67/823225167.db2.gz LOQAUCUAONCXBZ-LJQANCHMSA-N 1 2 397.569 4.247 20 0 GIADLO CC1(C)Cc2ccsc2C[N@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000459580898 823225177 /nfs/dbraw/zinc/22/51/77/823225177.db2.gz LOQAUCUAONCXBZ-LJQANCHMSA-N 1 2 397.569 4.247 20 0 GIADLO O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1-n1cc[nH+]c1 ZINC000056866928 823225700 /nfs/dbraw/zinc/22/57/00/823225700.db2.gz LRDOHFKKCFMZSF-UHFFFAOYSA-N 1 2 378.379 4.017 20 0 GIADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000459592354 823226845 /nfs/dbraw/zinc/22/68/45/823226845.db2.gz HMXVABQQXQJJMV-UHFFFAOYSA-N 1 2 397.504 4.049 20 0 GIADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000459592354 823226852 /nfs/dbraw/zinc/22/68/52/823226852.db2.gz HMXVABQQXQJJMV-UHFFFAOYSA-N 1 2 397.504 4.049 20 0 GIADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000459597318 823227252 /nfs/dbraw/zinc/22/72/52/823227252.db2.gz TUSFTHXJXIEQBR-UHFFFAOYSA-N 1 2 393.413 4.147 20 0 GIADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000459597318 823227255 /nfs/dbraw/zinc/22/72/55/823227255.db2.gz TUSFTHXJXIEQBR-UHFFFAOYSA-N 1 2 393.413 4.147 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000409481206 823230815 /nfs/dbraw/zinc/23/08/15/823230815.db2.gz AAMUQXIQPPYAQD-JXMROGBWSA-N 1 2 399.538 4.472 20 0 GIADLO CCCCOc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000409484479 823231853 /nfs/dbraw/zinc/23/18/53/823231853.db2.gz LGSMBXOYFGPWTM-UHFFFAOYSA-N 1 2 396.466 4.190 20 0 GIADLO CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409486890 823232427 /nfs/dbraw/zinc/23/24/27/823232427.db2.gz QRDDUEMAZZVTTC-UHFFFAOYSA-N 1 2 377.423 4.095 20 0 GIADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459634334 823234230 /nfs/dbraw/zinc/23/42/30/823234230.db2.gz MLIHYIKOYDJVRA-NWDGAFQWSA-N 1 2 397.500 4.258 20 0 GIADLO COc1cc(Br)c(C[NH2+][C@H](C)c2cc(C)ccc2OC)cc1O ZINC000459645902 823237450 /nfs/dbraw/zinc/23/74/50/823237450.db2.gz ATSOPOSQUSSEKG-GFCCVEGCSA-N 1 2 380.282 4.331 20 0 GIADLO CCC[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCCC1 ZINC000409504529 823236119 /nfs/dbraw/zinc/23/61/19/823236119.db2.gz VAMHYTCRQVBEPC-NRFANRHFSA-N 1 2 396.535 4.391 20 0 GIADLO Clc1cc(Br)ccc1[C@H]([NH2+]Cc1nnc2ccccn21)C1CC1 ZINC000188441171 823241465 /nfs/dbraw/zinc/24/14/65/823241465.db2.gz WOBYIMNMCKBARA-QGZVFWFLSA-N 1 2 391.700 4.386 20 0 GIADLO CN1CC[NH+](Cc2cccc(NC(=O)CCCC[C@@H]3CCSS3)c2)CC1 ZINC000057054096 823243865 /nfs/dbraw/zinc/24/38/65/823243865.db2.gz DQDUBORPBMDCAS-LJQANCHMSA-N 1 2 393.622 4.087 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCCc1cccc(F)c1 ZINC000176601107 823245879 /nfs/dbraw/zinc/24/58/79/823245879.db2.gz RWZWEPKGXXMUHQ-UHFFFAOYSA-N 1 2 398.526 4.101 20 0 GIADLO COc1ccccc1[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)OC(C)C ZINC000188483544 823248173 /nfs/dbraw/zinc/24/81/73/823248173.db2.gz WBUAXEMNJWGRLF-SFTDATJTSA-N 1 2 383.467 4.403 20 0 GIADLO C[N@H+](CC1CC1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@@H]2CCCO2)c1=S ZINC000057088795 823248528 /nfs/dbraw/zinc/24/85/28/823248528.db2.gz DYMVNUGVABTPAQ-INIZCTEOSA-N 1 2 397.548 4.041 20 0 GIADLO C[N@@H+](CC1CC1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@@H]2CCCO2)c1=S ZINC000057088795 823248534 /nfs/dbraw/zinc/24/85/34/823248534.db2.gz DYMVNUGVABTPAQ-INIZCTEOSA-N 1 2 397.548 4.041 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@H+](C)CC3CC3)nc2-c2ccncc2)cc1C ZINC000057088770 823248571 /nfs/dbraw/zinc/24/85/71/823248571.db2.gz JWLNRGPYBKEEJE-UHFFFAOYSA-N 1 2 379.533 4.381 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@@H+](C)CC3CC3)nc2-c2ccncc2)cc1C ZINC000057088770 823248575 /nfs/dbraw/zinc/24/85/75/823248575.db2.gz JWLNRGPYBKEEJE-UHFFFAOYSA-N 1 2 379.533 4.381 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c1C ZINC000176612723 823248879 /nfs/dbraw/zinc/24/88/79/823248879.db2.gz GDWGVSRCNVPBKR-SFHVURJKSA-N 1 2 396.535 4.210 20 0 GIADLO CC(C)c1nn(C[N@H+](C)C2Cc3ccccc3C2)c(=S)n1Cc1ccco1 ZINC000057104312 823249964 /nfs/dbraw/zinc/24/99/64/823249964.db2.gz BKXRNGQJGAVCQI-UHFFFAOYSA-N 1 2 382.533 4.235 20 0 GIADLO CC(C)c1nn(C[N@@H+](C)C2Cc3ccccc3C2)c(=S)n1Cc1ccco1 ZINC000057104312 823249971 /nfs/dbraw/zinc/24/99/71/823249971.db2.gz BKXRNGQJGAVCQI-UHFFFAOYSA-N 1 2 382.533 4.235 20 0 GIADLO COc1cc(OC)c(NCc2c[nH+]c3ccc(C)cn23)cc1Br ZINC000121786462 823251200 /nfs/dbraw/zinc/25/12/00/823251200.db2.gz DXXMWJHABCIQNO-UHFFFAOYSA-N 1 2 376.254 4.035 20 0 GIADLO CS(=O)(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)c1ccccc1 ZINC000188503318 823252267 /nfs/dbraw/zinc/25/22/67/823252267.db2.gz SRSAKNHYKIXJGN-INIZCTEOSA-N 1 2 391.842 4.234 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@H]1c1ccccc1Cl ZINC000121799435 823254005 /nfs/dbraw/zinc/25/40/05/823254005.db2.gz QHYCOARPZQJKRD-IBGZPJMESA-N 1 2 384.911 4.382 20 0 GIADLO COc1cccc(CC2(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)CCCCC2)c1 ZINC000571948793 823258860 /nfs/dbraw/zinc/25/88/60/823258860.db2.gz MFCYKWOWTZNMGP-UHFFFAOYSA-N 1 2 381.520 4.318 20 0 GIADLO Fc1ccc(-c2nnc(SCCn3cc[nH+]c3)n2Cc2ccccc2)cc1 ZINC000121848923 823262399 /nfs/dbraw/zinc/26/23/99/823262399.db2.gz IDQSKQMLDCSJJH-UHFFFAOYSA-N 1 2 379.464 4.121 20 0 GIADLO Cc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c(OC[C@H]2CCCO2)c1 ZINC000571974647 823263736 /nfs/dbraw/zinc/26/37/36/823263736.db2.gz LJKWWYUGQFRYDZ-LJQANCHMSA-N 1 2 383.492 4.195 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1 ZINC000003571064 817487457 /nfs/dbraw/zinc/48/74/57/817487457.db2.gz IYRSCGAYIOQSGO-GFCCVEGCSA-N 1 2 397.302 4.470 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1 ZINC000003571064 817487461 /nfs/dbraw/zinc/48/74/61/817487461.db2.gz IYRSCGAYIOQSGO-GFCCVEGCSA-N 1 2 397.302 4.470 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(Cc2ccccc2F)CC1 ZINC000188598019 823269783 /nfs/dbraw/zinc/26/97/83/823269783.db2.gz TUUULPAIFLKPAH-UHFFFAOYSA-N 1 2 395.522 4.309 20 0 GIADLO Cc1oc2nc(SCCn3cc[nH+]c3)nc(NC(=O)c3ccccc3)c2c1C ZINC000121894855 823272001 /nfs/dbraw/zinc/27/20/01/823272001.db2.gz XKWARDUGXNMEJT-UHFFFAOYSA-N 1 2 393.472 4.081 20 0 GIADLO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000572037445 823272418 /nfs/dbraw/zinc/27/24/18/823272418.db2.gz ICCKWHHQIXNRJI-BUXKBTBVSA-N 1 2 384.277 4.451 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3c(F)cccc3SC)CC2)c1 ZINC000409653892 823274965 /nfs/dbraw/zinc/27/49/65/823274965.db2.gz WJKLWIWXNRCTPL-HNNXBMFYSA-N 1 2 388.508 4.075 20 0 GIADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3cc4c(s3)CCCC4)o2)c1 ZINC000121907831 823274354 /nfs/dbraw/zinc/27/43/54/823274354.db2.gz WXIOADLXMAXJHD-CYBMUJFWSA-N 1 2 396.516 4.486 20 0 GIADLO Cc1cccnc1OC1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000572081781 823280297 /nfs/dbraw/zinc/28/02/97/823280297.db2.gz LLUMVCOUNPTAKL-UHFFFAOYSA-N 1 2 376.460 4.016 20 0 GIADLO O=S(=O)(c1cccc2ccccc21)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000176726110 823278674 /nfs/dbraw/zinc/27/86/74/823278674.db2.gz NJKOFEWKAFSFIH-IBGZPJMESA-N 1 2 389.480 4.029 20 0 GIADLO CCSc1cccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000572070341 823277632 /nfs/dbraw/zinc/27/76/32/823277632.db2.gz JFPPUTZNYJRPCR-UHFFFAOYSA-N 1 2 398.576 4.421 20 0 GIADLO FC(F)C(F)(F)COc1cc(NCc2c[nH]nc2-c2cccs2)cc[nH+]1 ZINC000572087109 823281269 /nfs/dbraw/zinc/28/12/69/823281269.db2.gz XDMOIUHWQPHXOE-UHFFFAOYSA-N 1 2 386.374 4.425 20 0 GIADLO O=C(CCCC1CCOCC1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000409684583 823282616 /nfs/dbraw/zinc/28/26/16/823282616.db2.gz IJIKADVQRBJCDZ-LJQANCHMSA-N 1 2 396.934 4.157 20 0 GIADLO O=C(CCCC1CCOCC1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000409684583 823282619 /nfs/dbraw/zinc/28/26/19/823282619.db2.gz IJIKADVQRBJCDZ-LJQANCHMSA-N 1 2 396.934 4.157 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N(CCc1ccccc1)Cc1ccccc1 ZINC000057375563 823284384 /nfs/dbraw/zinc/28/43/84/823284384.db2.gz KNHBEPBFQBLPBA-UHFFFAOYSA-N 1 2 376.504 4.118 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000057376349 823284572 /nfs/dbraw/zinc/28/45/72/823284572.db2.gz KOKVQUQUGBZGLA-UHFFFAOYSA-N 1 2 380.414 4.056 20 0 GIADLO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000188695925 823287683 /nfs/dbraw/zinc/28/76/83/823287683.db2.gz UFUKQRXOMTXUDG-OAHLLOKOSA-N 1 2 380.496 4.260 20 0 GIADLO Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)nn1-c1ccc(C)cc1 ZINC000572130179 823287698 /nfs/dbraw/zinc/28/76/98/823287698.db2.gz VFZFQIYWBDESPB-WGSAOQKQSA-N 1 2 389.503 4.037 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N3CC[C@H](C4CCOCC4)C3)c12 ZINC000409717760 823289830 /nfs/dbraw/zinc/28/98/30/823289830.db2.gz SEAFXSDHVJSGHG-ZDUSSCGKSA-N 1 2 379.273 4.389 20 0 GIADLO COCC[C@@H](Nc1cc[nH+]c2c(Br)ccc(F)c12)c1ccco1 ZINC000409718553 823290093 /nfs/dbraw/zinc/29/00/93/823290093.db2.gz GXZCCBDZUKEENO-CYBMUJFWSA-N 1 2 379.229 4.341 20 0 GIADLO Cc1cc(C)c(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)c(C)[nH+]1 ZINC000122016038 823293644 /nfs/dbraw/zinc/29/36/44/823293644.db2.gz UUASETAKFUKTOJ-UHFFFAOYSA-N 1 2 381.867 4.371 20 0 GIADLO Cc1cn2c([nH+]1)[C@H](CNc1ccnc3c(Br)ccc(F)c13)CCC2 ZINC000409733551 823294258 /nfs/dbraw/zinc/29/42/58/823294258.db2.gz RHEHVRUBEIHDEK-LBPRGKRZSA-N 1 2 389.272 4.053 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000176801912 823296470 /nfs/dbraw/zinc/29/64/70/823296470.db2.gz AQZNURSPLCRRHY-UHFFFAOYSA-N 1 2 389.390 4.191 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)s1 ZINC000122034995 823296691 /nfs/dbraw/zinc/29/66/91/823296691.db2.gz RKPPRSMYVZSAPF-LBPRGKRZSA-N 1 2 381.929 4.307 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)s1 ZINC000122034995 823296696 /nfs/dbraw/zinc/29/66/96/823296696.db2.gz RKPPRSMYVZSAPF-LBPRGKRZSA-N 1 2 381.929 4.307 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000007717977 817902390 /nfs/dbraw/zinc/90/23/90/817902390.db2.gz VPABSGOVVNUTLG-HXUWFJFHSA-N 1 2 382.504 4.350 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000007717977 817902395 /nfs/dbraw/zinc/90/23/95/817902395.db2.gz VPABSGOVVNUTLG-HXUWFJFHSA-N 1 2 382.504 4.350 20 0 GIADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccccc1C(F)(F)F ZINC000188773647 823302137 /nfs/dbraw/zinc/30/21/37/823302137.db2.gz KKMFFIBDTFXJDN-UHFFFAOYSA-N 1 2 382.813 4.147 20 0 GIADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccccc1C(F)(F)F ZINC000188773647 823302143 /nfs/dbraw/zinc/30/21/43/823302143.db2.gz KKMFFIBDTFXJDN-UHFFFAOYSA-N 1 2 382.813 4.147 20 0 GIADLO CC[C@@H](C)Oc1cccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000057481690 823302445 /nfs/dbraw/zinc/30/24/45/823302445.db2.gz BWVVEPFKBSOETK-GOSISDBHSA-N 1 2 392.503 4.473 20 0 GIADLO CC[C@@H](C)Oc1cccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000057482935 823302882 /nfs/dbraw/zinc/30/28/82/823302882.db2.gz VPIQKBNFQQSXPW-QGZVFWFLSA-N 1 2 378.476 4.430 20 0 GIADLO C[C@@H]([N@H+](C)Cn1nc(COc2ccccc2Cl)n(C)c1=S)C1(C)CC1 ZINC000176832696 823304839 /nfs/dbraw/zinc/30/48/39/823304839.db2.gz HSURTVLTEOXZFT-CYBMUJFWSA-N 1 2 380.945 4.261 20 0 GIADLO C[C@@H]([N@@H+](C)Cn1nc(COc2ccccc2Cl)n(C)c1=S)C1(C)CC1 ZINC000176832696 823304844 /nfs/dbraw/zinc/30/48/44/823304844.db2.gz HSURTVLTEOXZFT-CYBMUJFWSA-N 1 2 380.945 4.261 20 0 GIADLO Fc1ccc(OCCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1 ZINC000057530271 823307135 /nfs/dbraw/zinc/30/71/35/823307135.db2.gz HDXMKHFKENUHCD-UHFFFAOYSA-N 1 2 398.507 4.173 20 0 GIADLO C[C@@H](NC(=O)/C(C#N)=C/c1cccc2[nH+]ccn21)c1ccc(Cl)cc1Cl ZINC000188827382 823314046 /nfs/dbraw/zinc/31/40/46/823314046.db2.gz UAQFTHUDGVICLB-AUWXEVLLSA-N 1 2 385.254 4.425 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)C3(Cc4cccs4)CCCCC3)sc2C1 ZINC000572289969 823314548 /nfs/dbraw/zinc/31/45/48/823314548.db2.gz ZZIMECYSFBXDFS-UHFFFAOYSA-N 1 2 375.563 4.324 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)C3(Cc4cccs4)CCCCC3)sc2C1 ZINC000572289969 823314552 /nfs/dbraw/zinc/31/45/52/823314552.db2.gz ZZIMECYSFBXDFS-UHFFFAOYSA-N 1 2 375.563 4.324 20 0 GIADLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000409834565 823320285 /nfs/dbraw/zinc/32/02/85/823320285.db2.gz WQUJFFSUQWGUMU-PBHICJAKSA-N 1 2 390.325 4.033 20 0 GIADLO Cc1noc(C[NH2+][C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)n1 ZINC000122200637 823320856 /nfs/dbraw/zinc/32/08/56/823320856.db2.gz KNSKHCWFQQPHIK-SECBINFHSA-N 1 2 393.310 4.423 20 0 GIADLO COc1ccccc1C[N@H+](C)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000015296256 818307913 /nfs/dbraw/zinc/30/79/13/818307913.db2.gz WPYQUGFMWXWMRK-UHFFFAOYSA-N 1 2 388.511 4.375 20 0 GIADLO COc1ccccc1C[N@@H+](C)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000015296256 818307925 /nfs/dbraw/zinc/30/79/25/818307925.db2.gz WPYQUGFMWXWMRK-UHFFFAOYSA-N 1 2 388.511 4.375 20 0 GIADLO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000015302639 818310496 /nfs/dbraw/zinc/31/04/96/818310496.db2.gz GJKZDFUDUXAOKS-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000015302639 818310504 /nfs/dbraw/zinc/31/05/04/818310504.db2.gz GJKZDFUDUXAOKS-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO CCc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2ccc(Br)s2)cc1 ZINC000015371838 818319163 /nfs/dbraw/zinc/31/91/63/818319163.db2.gz CPAPAHRUFIWNQA-ZDUSSCGKSA-N 1 2 395.366 4.382 20 0 GIADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2ccc(Br)s2)cc1 ZINC000015371838 818319170 /nfs/dbraw/zinc/31/91/70/818319170.db2.gz CPAPAHRUFIWNQA-ZDUSSCGKSA-N 1 2 395.366 4.382 20 0 GIADLO Cc1ccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000015548665 818336905 /nfs/dbraw/zinc/33/69/05/818336905.db2.gz JZXHFBKFUVSOHX-NRFANRHFSA-N 1 2 382.554 4.382 20 0 GIADLO Cc1ccc(CNC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000015548665 818336912 /nfs/dbraw/zinc/33/69/12/818336912.db2.gz JZXHFBKFUVSOHX-NRFANRHFSA-N 1 2 382.554 4.382 20 0 GIADLO O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)N1CCn2c[nH+]cc2C1 ZINC000460277070 823337794 /nfs/dbraw/zinc/33/77/94/823337794.db2.gz QBTYGEQCSIUGAB-HSZRJFAPSA-N 1 2 382.467 4.351 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)cc1 ZINC000016554578 818454597 /nfs/dbraw/zinc/45/45/97/818454597.db2.gz CCSVBQKFCNEULZ-KBPBESRZSA-N 1 2 397.544 4.311 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)cc1 ZINC000016554578 818454605 /nfs/dbraw/zinc/45/46/05/818454605.db2.gz CCSVBQKFCNEULZ-KBPBESRZSA-N 1 2 397.544 4.311 20 0 GIADLO Cc1sc2[nH]c([C@H](C)[N@H+](C)Cc3ccc(OC(F)F)cc3)nc(=O)c2c1C ZINC000016587355 818456134 /nfs/dbraw/zinc/45/61/34/818456134.db2.gz RGUFELFKJRODJI-NSHDSACASA-N 1 2 393.459 4.396 20 0 GIADLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)Cc3ccc(OC(F)F)cc3)nc(=O)c2c1C ZINC000016587355 818456140 /nfs/dbraw/zinc/45/61/40/818456140.db2.gz RGUFELFKJRODJI-NSHDSACASA-N 1 2 393.459 4.396 20 0 GIADLO Cc1sc2[nH]c([C@@H](C)[N@H+](C)Cc3ccc(OC(F)F)cc3)nc(=O)c2c1C ZINC000016587354 818456150 /nfs/dbraw/zinc/45/61/50/818456150.db2.gz RGUFELFKJRODJI-LLVKDONJSA-N 1 2 393.459 4.396 20 0 GIADLO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)Cc3ccc(OC(F)F)cc3)nc(=O)c2c1C ZINC000016587354 818456156 /nfs/dbraw/zinc/45/61/56/818456156.db2.gz RGUFELFKJRODJI-LLVKDONJSA-N 1 2 393.459 4.396 20 0 GIADLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000176980734 823341354 /nfs/dbraw/zinc/34/13/54/823341354.db2.gz CIROGLHCHPUWNH-LLVKDONJSA-N 1 2 380.279 4.360 20 0 GIADLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000176980734 823341357 /nfs/dbraw/zinc/34/13/57/823341357.db2.gz CIROGLHCHPUWNH-LLVKDONJSA-N 1 2 380.279 4.360 20 0 GIADLO O=C(Nc1ccc(F)cc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000017744379 818526640 /nfs/dbraw/zinc/52/66/40/818526640.db2.gz OAWDGUCTNIQANC-UHFFFAOYSA-N 1 2 381.373 4.194 20 0 GIADLO COc1cccc(-c2nc(C[N@H+](C)Cc3ccc4c(c3)OCCO4)cs2)c1 ZINC000057878691 823344175 /nfs/dbraw/zinc/34/41/75/823344175.db2.gz BPAQOKUZYSJOAP-UHFFFAOYSA-N 1 2 382.485 4.222 20 0 GIADLO COc1cccc(-c2nc(C[N@@H+](C)Cc3ccc4c(c3)OCCO4)cs2)c1 ZINC000057878691 823344183 /nfs/dbraw/zinc/34/41/83/823344183.db2.gz BPAQOKUZYSJOAP-UHFFFAOYSA-N 1 2 382.485 4.222 20 0 GIADLO Cc1cc(C)n(-c2ccccc2CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000572469324 823345943 /nfs/dbraw/zinc/34/59/43/823345943.db2.gz HTERAQLWXZBYKT-NRFANRHFSA-N 1 2 399.498 4.051 20 0 GIADLO COc1ccc(-c2nc(CN3CC[NH+]([C@H](C)c4ccccn4)CC3)cs2)cc1 ZINC000176999914 823346557 /nfs/dbraw/zinc/34/65/57/823346557.db2.gz WHCGNOKZKAXNGW-QGZVFWFLSA-N 1 2 394.544 4.093 20 0 GIADLO FC(F)(F)c1cccc(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000018947013 818582500 /nfs/dbraw/zinc/58/25/00/818582500.db2.gz ZEVSNXYLSSPUKJ-UHFFFAOYSA-N 1 2 385.480 4.282 20 0 GIADLO Cc1ccc(-c2cnc(NC(=O)N3CCC[C@H]3Cn3cc[nH+]c3)s2)c(C)c1 ZINC000572528849 823354437 /nfs/dbraw/zinc/35/44/37/823354437.db2.gz ANIFMFXQJLQBEH-INIZCTEOSA-N 1 2 381.505 4.320 20 0 GIADLO Cc1cccc(-n2ncc(C(=O)Nc3cccc4[nH+]ccn43)c2C(F)(F)F)c1 ZINC000460342706 823359044 /nfs/dbraw/zinc/35/90/44/823359044.db2.gz UWOVSYKNTLBBNQ-UHFFFAOYSA-N 1 2 385.349 4.100 20 0 GIADLO Cc1csc(C2([NH2+]CCS(=O)(=O)c3ccc(C(C)(C)C)cc3)CCC2)n1 ZINC000460353040 823361634 /nfs/dbraw/zinc/36/16/34/823361634.db2.gz PHDQBYGESILHGR-UHFFFAOYSA-N 1 2 392.590 4.192 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)c1sc2ccccc2c1Br ZINC000572567801 823362348 /nfs/dbraw/zinc/36/23/48/823362348.db2.gz UHHJJESUXLETCU-UHFFFAOYSA-N 1 2 390.306 4.291 20 0 GIADLO Cc1noc2nc(C3CC3)cc(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)c12 ZINC000022290659 818790829 /nfs/dbraw/zinc/79/08/29/818790829.db2.gz CCOGAWRWXQOFJX-UHFFFAOYSA-N 1 2 397.504 4.103 20 0 GIADLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c2ccccc2n1 ZINC000022291636 818790845 /nfs/dbraw/zinc/79/08/45/818790845.db2.gz KXGDVZMPVKQQBR-UHFFFAOYSA-N 1 2 380.517 4.484 20 0 GIADLO C[C@H](c1nnc(SC[C@H]2CCCCO2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000058165625 823366047 /nfs/dbraw/zinc/36/60/47/823366047.db2.gz JBPOQYZIALAMKQ-CZUORRHYSA-N 1 2 380.945 4.205 20 0 GIADLO Fc1ccccc1-c1noc(C[NH2+]C2(c3ccc(Br)cc3)CC2)n1 ZINC000189159555 823367519 /nfs/dbraw/zinc/36/75/19/823367519.db2.gz RZAODKFYBINRTN-UHFFFAOYSA-N 1 2 388.240 4.417 20 0 GIADLO CC(C)(C)[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000122487219 823361776 /nfs/dbraw/zinc/36/17/76/823361776.db2.gz SWOOWXGENBOUFD-HXUWFJFHSA-N 1 2 384.499 4.276 20 0 GIADLO COc1ccc(C)cc1C[NH+]1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000022801524 818862516 /nfs/dbraw/zinc/86/25/16/818862516.db2.gz HWVMRCGDSORVQU-UHFFFAOYSA-N 1 2 395.478 4.116 20 0 GIADLO COC(=O)C1CC[NH+](Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 ZINC000022910566 818874914 /nfs/dbraw/zinc/87/49/14/818874914.db2.gz RBVFFFDZSITYLR-UHFFFAOYSA-N 1 2 397.906 4.123 20 0 GIADLO Cc1oc(-c2cccs2)nc1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000022911777 818875867 /nfs/dbraw/zinc/87/58/67/818875867.db2.gz DGOCKYFXBSLASV-UHFFFAOYSA-N 1 2 383.517 4.180 20 0 GIADLO Cc1oc(-c2cccs2)nc1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000022911777 818875870 /nfs/dbraw/zinc/87/58/70/818875870.db2.gz DGOCKYFXBSLASV-UHFFFAOYSA-N 1 2 383.517 4.180 20 0 GIADLO Oc1ccc(C2CC[NH+](Cc3nc4ccc(Br)cc4[nH]3)CC2)cc1 ZINC000460389625 823373371 /nfs/dbraw/zinc/37/33/71/823373371.db2.gz UOMMNUNBGAKBNW-UHFFFAOYSA-N 1 2 386.293 4.411 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000023008723 818886900 /nfs/dbraw/zinc/88/69/00/818886900.db2.gz MODGVWKCQNDEFZ-UHFFFAOYSA-N 1 2 385.939 4.103 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000023008723 818886903 /nfs/dbraw/zinc/88/69/03/818886903.db2.gz MODGVWKCQNDEFZ-UHFFFAOYSA-N 1 2 385.939 4.103 20 0 GIADLO C/C(=C\C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1OC(F)F ZINC000177100428 823370925 /nfs/dbraw/zinc/37/09/25/823370925.db2.gz RWIAEHCMHCLYOW-NTCAYCPXSA-N 1 2 387.430 4.003 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000122568695 823374443 /nfs/dbraw/zinc/37/44/43/823374443.db2.gz RKPWBADPEVJKEC-SJORKVTESA-N 1 2 380.517 4.091 20 0 GIADLO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)sc2cccc(F)c12 ZINC000023956255 818997466 /nfs/dbraw/zinc/99/74/66/818997466.db2.gz JMVDIHRZSAUEJS-UHFFFAOYSA-N 1 2 398.503 4.111 20 0 GIADLO COc1ccc(-c2nn(C[N@@H+]3CCC[C@@H]3c3cccs3)c(=S)n2C)cc1 ZINC000024106414 819025246 /nfs/dbraw/zinc/02/52/46/819025246.db2.gz BMVMIAIBNUXACN-MRXNPFEDSA-N 1 2 386.546 4.483 20 0 GIADLO COc1ccc(-c2nn(C[N@H+]3CCC[C@@H]3c3cccs3)c(=S)n2C)cc1 ZINC000024106414 819025252 /nfs/dbraw/zinc/02/52/52/819025252.db2.gz BMVMIAIBNUXACN-MRXNPFEDSA-N 1 2 386.546 4.483 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3ncccc3c2)C[C@@H](C)O1 ZINC000122608537 823380730 /nfs/dbraw/zinc/38/07/30/823380730.db2.gz ROKDVUFBOWQZRB-IAGOWNOFSA-N 1 2 375.472 4.096 20 0 GIADLO Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000058383542 823384581 /nfs/dbraw/zinc/38/45/81/823384581.db2.gz FVUPHORYLSQKII-UHFFFAOYSA-N 1 2 388.427 4.308 20 0 GIADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000572791169 823399642 /nfs/dbraw/zinc/39/96/42/823399642.db2.gz JXQJDECXTLGNIG-UHFFFAOYSA-N 1 2 399.857 4.129 20 0 GIADLO COc1ccccc1C[C@H]1CCC[N@@H+]1Cn1ncn(-c2ccccc2)c1=S ZINC000058540092 823406473 /nfs/dbraw/zinc/40/64/73/823406473.db2.gz SYPIVBOBRJXPJB-LJQANCHMSA-N 1 2 380.517 4.076 20 0 GIADLO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1ncn(-c2ccccc2)c1=S ZINC000058540092 823406476 /nfs/dbraw/zinc/40/64/76/823406476.db2.gz SYPIVBOBRJXPJB-LJQANCHMSA-N 1 2 380.517 4.076 20 0 GIADLO CC[N@H+](Cn1c2cc(S(=O)(=O)CC)ccc2oc1=S)C1CCCCC1 ZINC000058590755 823414048 /nfs/dbraw/zinc/41/40/48/823414048.db2.gz SUASRCZADQEGPZ-UHFFFAOYSA-N 1 2 382.551 4.369 20 0 GIADLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C)c1ccccc1F ZINC000572863335 823410964 /nfs/dbraw/zinc/41/09/64/823410964.db2.gz ZPDOXQGNVJZQCF-PCCBWWKXSA-N 1 2 379.479 4.484 20 0 GIADLO CC[N@@H+](Cn1c2cc(S(=O)(=O)CC)ccc2oc1=S)C1CCCCC1 ZINC000058590755 823414053 /nfs/dbraw/zinc/41/40/53/823414053.db2.gz SUASRCZADQEGPZ-UHFFFAOYSA-N 1 2 382.551 4.369 20 0 GIADLO CCOc1ccc(-c2nc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cs2)cc1 ZINC000122825494 823419026 /nfs/dbraw/zinc/41/90/26/823419026.db2.gz YYBBKYCVARTSAB-HNAYVOBHSA-N 1 2 396.516 4.129 20 0 GIADLO COc1cc(OC)c(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1Cl ZINC000058607024 823415948 /nfs/dbraw/zinc/41/59/48/823415948.db2.gz MLCZIDNBAUWRCR-UHFFFAOYSA-N 1 2 393.871 4.042 20 0 GIADLO CC[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1nc(C(F)(F)F)cs1 ZINC000572921917 823420112 /nfs/dbraw/zinc/42/01/12/823420112.db2.gz KKDRXCNQQYVAIM-CYBMUJFWSA-N 1 2 381.423 4.255 20 0 GIADLO COc1cccc(C2(F)CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)c1 ZINC000410227501 823425860 /nfs/dbraw/zinc/42/58/60/823425860.db2.gz OLSJAZQENRDTGE-UHFFFAOYSA-N 1 2 393.462 4.041 20 0 GIADLO Cc1ccc(-c2ncccc2NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000189481369 823427170 /nfs/dbraw/zinc/42/71/70/823427170.db2.gz HBIMQVUHDCVYGA-PBHICJAKSA-N 1 2 381.505 4.430 20 0 GIADLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000189495174 823430512 /nfs/dbraw/zinc/43/05/12/823430512.db2.gz IOQLJXFUSLPABE-LIRRHRJNSA-N 1 2 376.859 4.270 20 0 GIADLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCC(=O)Nc1ccccc1F ZINC000189495174 823430518 /nfs/dbraw/zinc/43/05/18/823430518.db2.gz IOQLJXFUSLPABE-LIRRHRJNSA-N 1 2 376.859 4.270 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000024746903 819871986 /nfs/dbraw/zinc/87/19/86/819871986.db2.gz DTUUAMLTXPSXSC-UHFFFAOYSA-N 1 2 397.478 4.440 20 0 GIADLO C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410250553 823434278 /nfs/dbraw/zinc/43/42/78/823434278.db2.gz FJABSFVLHZBAKC-HOTGVXAUSA-N 1 2 387.911 4.046 20 0 GIADLO COc1cc(C)c(C[N@H+](C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1OC ZINC000024744413 819872326 /nfs/dbraw/zinc/87/23/26/819872326.db2.gz DRSGHRZMQSYCNQ-UHFFFAOYSA-N 1 2 387.867 4.348 20 0 GIADLO COc1cc(C)c(C[N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1OC ZINC000024744413 819872336 /nfs/dbraw/zinc/87/23/36/819872336.db2.gz DRSGHRZMQSYCNQ-UHFFFAOYSA-N 1 2 387.867 4.348 20 0 GIADLO Cc1cc(N2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)nc(C(C)C)[nH+]1 ZINC000024780495 819875999 /nfs/dbraw/zinc/87/59/99/819875999.db2.gz FNOCMOFVARUSGQ-UHFFFAOYSA-N 1 2 395.482 4.025 20 0 GIADLO C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1cccc(Cl)c1Cl ZINC000024816350 819881014 /nfs/dbraw/zinc/88/10/14/819881014.db2.gz UOMNXAXUUBCCEO-UHFFFAOYSA-N 1 2 382.678 4.287 20 0 GIADLO C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1cccc(Cl)c1Cl ZINC000024816350 819881024 /nfs/dbraw/zinc/88/10/24/819881024.db2.gz UOMNXAXUUBCCEO-UHFFFAOYSA-N 1 2 382.678 4.287 20 0 GIADLO CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410253578 823435538 /nfs/dbraw/zinc/43/55/38/823435538.db2.gz CTLFETGKFNFESQ-WIYYLYMNSA-N 1 2 381.520 4.091 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(Br)cc3)n2)C1 ZINC000024887500 819889042 /nfs/dbraw/zinc/88/90/42/819889042.db2.gz AWPIEWRPKIPCTN-GFCCVEGCSA-N 1 2 394.338 4.390 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(Br)cc3)n2)C1 ZINC000024887500 819889051 /nfs/dbraw/zinc/88/90/51/819889051.db2.gz AWPIEWRPKIPCTN-GFCCVEGCSA-N 1 2 394.338 4.390 20 0 GIADLO CC(C)c1ccc(OCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410257355 823436735 /nfs/dbraw/zinc/43/67/35/823436735.db2.gz NCCQXRWZPGAEQR-LJQANCHMSA-N 1 2 381.520 4.128 20 0 GIADLO Cn1c[nH+]cc1Cc1noc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000573030623 823436928 /nfs/dbraw/zinc/43/69/28/823436928.db2.gz MOICXPZNOZQFDA-UHFFFAOYSA-N 1 2 376.260 4.099 20 0 GIADLO Cc1ccc(SCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000410257760 823436948 /nfs/dbraw/zinc/43/69/48/823436948.db2.gz SEENOKSJIDGXSI-SFHVURJKSA-N 1 2 383.561 4.335 20 0 GIADLO CSc1ccccc1[C@@H](C)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000410258254 823437121 /nfs/dbraw/zinc/43/71/21/823437121.db2.gz PHRBPXMIBBRPOR-LLVKDONJSA-N 1 2 375.444 4.222 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3cc(F)ccc3C)CC2)cc1 ZINC000025062397 819918557 /nfs/dbraw/zinc/91/85/57/819918557.db2.gz JJILIAOYSWRSNI-INIZCTEOSA-N 1 2 398.478 4.065 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000025061539 819918699 /nfs/dbraw/zinc/91/86/99/819918699.db2.gz AYUDRLLMTGJBLN-SFHVURJKSA-N 1 2 394.515 4.234 20 0 GIADLO O=C(NC1CC1)c1ccc(C[N@H+](Cc2cc(-c3cccs3)on2)C2CC2)cc1 ZINC000025186347 819940664 /nfs/dbraw/zinc/94/06/64/819940664.db2.gz SAZIGGXSFQNRFC-UHFFFAOYSA-N 1 2 393.512 4.460 20 0 GIADLO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2cc(-c3cccs3)on2)C2CC2)cc1 ZINC000025186347 819940671 /nfs/dbraw/zinc/94/06/71/819940671.db2.gz SAZIGGXSFQNRFC-UHFFFAOYSA-N 1 2 393.512 4.460 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)s1 ZINC000573048782 823440168 /nfs/dbraw/zinc/44/01/68/823440168.db2.gz TYFYALFQUUIKTQ-LBPRGKRZSA-N 1 2 378.460 4.414 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)s1 ZINC000573048782 823440172 /nfs/dbraw/zinc/44/01/72/823440172.db2.gz TYFYALFQUUIKTQ-LBPRGKRZSA-N 1 2 378.460 4.414 20 0 GIADLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000025362071 819969648 /nfs/dbraw/zinc/96/96/48/819969648.db2.gz SUJGKSOPMPUOHU-OAQYLSRUSA-N 1 2 397.494 4.083 20 0 GIADLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000025362071 819969654 /nfs/dbraw/zinc/96/96/54/819969654.db2.gz SUJGKSOPMPUOHU-OAQYLSRUSA-N 1 2 397.494 4.083 20 0 GIADLO O=C(CCOc1ccc(Cl)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410268711 823442350 /nfs/dbraw/zinc/44/23/50/823442350.db2.gz CGSVXQFRZGJKNS-MRXNPFEDSA-N 1 2 387.911 4.048 20 0 GIADLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2OC(F)(F)F)cc1 ZINC000025534152 819998737 /nfs/dbraw/zinc/99/87/37/819998737.db2.gz BPZROYKILDDCIQ-OAHLLOKOSA-N 1 2 380.410 4.030 20 0 GIADLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2OC(F)(F)F)cc1 ZINC000025534152 819998740 /nfs/dbraw/zinc/99/87/40/819998740.db2.gz BPZROYKILDDCIQ-OAHLLOKOSA-N 1 2 380.410 4.030 20 0 GIADLO O=C(CCOc1ccccc1Cl)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410274400 823444542 /nfs/dbraw/zinc/44/45/42/823444542.db2.gz UQWIYWOHSZNQCR-INIZCTEOSA-N 1 2 387.911 4.048 20 0 GIADLO O=C1CCCCN1C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000189562362 823444645 /nfs/dbraw/zinc/44/46/45/823444645.db2.gz UMEOKHULEFMEII-UHFFFAOYSA-N 1 2 385.733 4.079 20 0 GIADLO Cc1ccc(C)c(SCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410275066 823444779 /nfs/dbraw/zinc/44/47/79/823444779.db2.gz WFWRYPJOHOZPGW-GOSISDBHSA-N 1 2 383.561 4.335 20 0 GIADLO C[C@@H](CCOc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410280660 823446736 /nfs/dbraw/zinc/44/67/36/823446736.db2.gz YZEJRWARDGJUBS-RBUKOAKNSA-N 1 2 381.520 4.031 20 0 GIADLO C[C@H]1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123048584 823453137 /nfs/dbraw/zinc/45/31/37/823453137.db2.gz CVBZEOWAOOMHDQ-BBRMVZONSA-N 1 2 383.439 4.104 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C)cc3)o2)c(OC)c1 ZINC000025928461 820040999 /nfs/dbraw/zinc/04/09/99/820040999.db2.gz CXOFOHSFUIUJDA-LJQANCHMSA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C)cc3)o2)c(OC)c1 ZINC000025928461 820041007 /nfs/dbraw/zinc/04/10/07/820041007.db2.gz CXOFOHSFUIUJDA-LJQANCHMSA-N 1 2 379.460 4.399 20 0 GIADLO C[C@@H]1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000123048818 823453250 /nfs/dbraw/zinc/45/32/50/823453250.db2.gz CVBZEOWAOOMHDQ-CZUORRHYSA-N 1 2 383.439 4.104 20 0 GIADLO O=C([C@@H]1SCCc2sccc21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410286441 823449445 /nfs/dbraw/zinc/44/94/45/823449445.db2.gz GRCHUDKQZSUDIQ-RDTXWAMCSA-N 1 2 387.574 4.018 20 0 GIADLO C[C@H]1CCc2sc(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)cc2C1 ZINC000026215137 820070059 /nfs/dbraw/zinc/07/00/59/820070059.db2.gz WQWXURWKGGPYQP-INIZCTEOSA-N 1 2 379.529 4.090 20 0 GIADLO CCCCc1ccc(CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000026216342 820070486 /nfs/dbraw/zinc/07/04/86/820070486.db2.gz IKEPDDIYAXXDOY-UHFFFAOYSA-N 1 2 375.516 4.175 20 0 GIADLO C[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410290018 823451013 /nfs/dbraw/zinc/45/10/13/823451013.db2.gz NVJQPXJLYYIKEZ-HOTGVXAUSA-N 1 2 387.911 4.046 20 0 GIADLO O=C(CSc1ccc2c(c1)CCC2)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410291622 823451715 /nfs/dbraw/zinc/45/17/15/823451715.db2.gz VMYOFIPFDIVLCL-LJQANCHMSA-N 1 2 395.572 4.206 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)c(C)c1 ZINC000026639097 820126230 /nfs/dbraw/zinc/12/62/30/820126230.db2.gz RKPRBIDJQINLEX-SFGWALBWSA-N 1 2 384.564 4.139 20 0 GIADLO CCN(C(=O)C[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1)c1ccccc1 ZINC000026642796 820127170 /nfs/dbraw/zinc/12/71/70/820127170.db2.gz AAFBARWBSCGTSB-UHFFFAOYSA-N 1 2 378.516 4.251 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000058804253 823455099 /nfs/dbraw/zinc/45/50/99/823455099.db2.gz CEVMUYJTOVUEOC-UHFFFAOYSA-N 1 2 393.531 4.160 20 0 GIADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000026777102 820142923 /nfs/dbraw/zinc/14/29/23/820142923.db2.gz LELKIMGUCDPKRY-CYBMUJFWSA-N 1 2 382.851 4.186 20 0 GIADLO COc1ccc(C2(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CCCC2)cc1 ZINC000058810252 823456133 /nfs/dbraw/zinc/45/61/33/823456133.db2.gz YRXVWAKFDZINSE-UHFFFAOYSA-N 1 2 393.531 4.209 20 0 GIADLO Cc1ccc(-c2cc(C(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)on2)cc1 ZINC000410304490 823457471 /nfs/dbraw/zinc/45/74/71/823457471.db2.gz DHJMZBVRVBNORB-UHFFFAOYSA-N 1 2 390.487 4.355 20 0 GIADLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000177416788 823457620 /nfs/dbraw/zinc/45/76/20/823457620.db2.gz HKDUWIASXYPQBM-BFUOFWGJSA-N 1 2 386.398 4.260 20 0 GIADLO O=C(CCc1cc2ccccc2o1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410314263 823460479 /nfs/dbraw/zinc/46/04/79/823460479.db2.gz GZMDQKFMIRTURH-UHFFFAOYSA-N 1 2 377.488 4.457 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C)cc3)o2)cc1OC ZINC000027227865 820212689 /nfs/dbraw/zinc/21/26/89/820212689.db2.gz ZXWICVXOMROCMZ-SFHVURJKSA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C)cc3)o2)cc1OC ZINC000027227865 820212695 /nfs/dbraw/zinc/21/26/95/820212695.db2.gz ZXWICVXOMROCMZ-SFHVURJKSA-N 1 2 379.460 4.399 20 0 GIADLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000027385536 820236412 /nfs/dbraw/zinc/23/64/12/820236412.db2.gz FQOJJCNVBZMPLE-MRXNPFEDSA-N 1 2 391.437 4.163 20 0 GIADLO CC(C)OCc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000058860693 823463346 /nfs/dbraw/zinc/46/33/46/823463346.db2.gz WGBVNKDTXBPUKG-OAQYLSRUSA-N 1 2 384.545 4.340 20 0 GIADLO Cc1ccc(-c2cc(C(=O)N3CCC[N@H+](Cc4ccccc4C)CC3)n[nH]2)cc1 ZINC000027389471 820237827 /nfs/dbraw/zinc/23/78/27/820237827.db2.gz NXXUVNZPOTYJIE-UHFFFAOYSA-N 1 2 388.515 4.042 20 0 GIADLO Cc1ccc(-c2cc(C(=O)N3CCC[N@@H+](Cc4ccccc4C)CC3)n[nH]2)cc1 ZINC000027389471 820237836 /nfs/dbraw/zinc/23/78/36/820237836.db2.gz NXXUVNZPOTYJIE-UHFFFAOYSA-N 1 2 388.515 4.042 20 0 GIADLO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000027538521 820257510 /nfs/dbraw/zinc/25/75/10/820257510.db2.gz NRTYVUHUFNUWQV-MRXNPFEDSA-N 1 2 391.437 4.163 20 0 GIADLO Cc1cc(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)nc(C(C)C)[nH+]1 ZINC000027545858 820258538 /nfs/dbraw/zinc/25/85/38/820258538.db2.gz GBHYQDCDUCOGIJ-UHFFFAOYSA-N 1 2 399.589 4.416 20 0 GIADLO CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000027600418 820265695 /nfs/dbraw/zinc/26/56/95/820265695.db2.gz XWUGMKPQWDHPAZ-UHFFFAOYSA-N 1 2 393.531 4.019 20 0 GIADLO Cc1csc(-c2cccc(S(=O)(=O)Nc3cccc(-n4cc[nH+]c4)c3)c2)n1 ZINC000410335521 823466701 /nfs/dbraw/zinc/46/67/01/823466701.db2.gz RSEUNBIABXSTHT-UHFFFAOYSA-N 1 2 396.497 4.105 20 0 GIADLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000027737397 820281371 /nfs/dbraw/zinc/28/13/71/820281371.db2.gz SMHMOWPADBUJGV-AWEZNQCLSA-N 1 2 376.884 4.206 20 0 GIADLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000027737397 820281375 /nfs/dbraw/zinc/28/13/75/820281375.db2.gz SMHMOWPADBUJGV-AWEZNQCLSA-N 1 2 376.884 4.206 20 0 GIADLO COCC[N@H+](Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)C1CCCC1 ZINC000058907365 823468944 /nfs/dbraw/zinc/46/89/44/823468944.db2.gz OQNPHQSDELNOBS-UHFFFAOYSA-N 1 2 391.512 4.358 20 0 GIADLO COCC[N@@H+](Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)C1CCCC1 ZINC000058907365 823468948 /nfs/dbraw/zinc/46/89/48/823468948.db2.gz OQNPHQSDELNOBS-UHFFFAOYSA-N 1 2 391.512 4.358 20 0 GIADLO Cc1nc2ccc(-c3nc([C@H]4C[N@H+](Cc5ccccc5)CCO4)no3)cc2s1 ZINC000573245398 823469821 /nfs/dbraw/zinc/46/98/21/823469821.db2.gz CFZWQUIRDYCJHX-GOSISDBHSA-N 1 2 392.484 4.228 20 0 GIADLO Cc1nc2ccc(-c3nc([C@H]4C[N@@H+](Cc5ccccc5)CCO4)no3)cc2s1 ZINC000573245398 823469823 /nfs/dbraw/zinc/46/98/23/823469823.db2.gz CFZWQUIRDYCJHX-GOSISDBHSA-N 1 2 392.484 4.228 20 0 GIADLO CCc1ccccc1[C@@H]1C[C@H]1c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000573245790 823469835 /nfs/dbraw/zinc/46/98/35/823469835.db2.gz VNZQTUSOSUWAIZ-FCHUYYIVSA-N 1 2 389.499 4.402 20 0 GIADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000058922330 823470668 /nfs/dbraw/zinc/47/06/68/823470668.db2.gz CCZAQSKMJCIQGE-UHFFFAOYSA-N 1 2 377.488 4.201 20 0 GIADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cccc2c1OCCO2 ZINC000058922330 823470671 /nfs/dbraw/zinc/47/06/71/823470671.db2.gz CCZAQSKMJCIQGE-UHFFFAOYSA-N 1 2 377.488 4.201 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)sc2C1 ZINC000028836333 820362132 /nfs/dbraw/zinc/36/21/32/820362132.db2.gz CWYGBEPOUABDBZ-UHFFFAOYSA-N 1 2 380.517 4.134 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)sc2C1 ZINC000028836333 820362140 /nfs/dbraw/zinc/36/21/40/820362140.db2.gz CWYGBEPOUABDBZ-UHFFFAOYSA-N 1 2 380.517 4.134 20 0 GIADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177494201 823475738 /nfs/dbraw/zinc/47/57/38/823475738.db2.gz DKLXKAHEDXESGI-CQSZACIVSA-N 1 2 382.907 4.477 20 0 GIADLO CC(C)C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000058975831 823477962 /nfs/dbraw/zinc/47/79/62/823477962.db2.gz LZOZMGIGFXXSSO-NRFANRHFSA-N 1 2 387.487 4.325 20 0 GIADLO C[N@@H+](Cc1ccccc1)CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O ZINC000029498531 820463867 /nfs/dbraw/zinc/46/38/67/820463867.db2.gz SUJPHSRGLSLJLL-QHCPKHFHSA-N 1 2 399.494 4.282 20 0 GIADLO C[N@H+](Cc1ccccc1)CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O ZINC000029498531 820463876 /nfs/dbraw/zinc/46/38/76/820463876.db2.gz SUJPHSRGLSLJLL-QHCPKHFHSA-N 1 2 399.494 4.282 20 0 GIADLO C[N@@H+](Cc1ccccc1)CN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O ZINC000029498528 820463995 /nfs/dbraw/zinc/46/39/95/820463995.db2.gz SUJPHSRGLSLJLL-HSZRJFAPSA-N 1 2 399.494 4.282 20 0 GIADLO C[N@H+](Cc1ccccc1)CN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O ZINC000029498528 820464005 /nfs/dbraw/zinc/46/40/05/820464005.db2.gz SUJPHSRGLSLJLL-HSZRJFAPSA-N 1 2 399.494 4.282 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(COc2ccccc2)cc1 ZINC000029558589 820476589 /nfs/dbraw/zinc/47/65/89/820476589.db2.gz YRBABNKHSSTWBR-UHFFFAOYSA-N 1 2 387.483 4.191 20 0 GIADLO CC[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccc(Cl)s1 ZINC000029597891 820481981 /nfs/dbraw/zinc/48/19/81/820481981.db2.gz WZQPRAKSOJJHCU-UHFFFAOYSA-N 1 2 394.953 4.168 20 0 GIADLO CC[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccc(Cl)s1 ZINC000029597891 820481985 /nfs/dbraw/zinc/48/19/85/820481985.db2.gz WZQPRAKSOJJHCU-UHFFFAOYSA-N 1 2 394.953 4.168 20 0 GIADLO Cc1nc(C)c(-c2csc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)n2)s1 ZINC000410383296 823482215 /nfs/dbraw/zinc/48/22/15/823482215.db2.gz OTXVEWLCWYELII-UHFFFAOYSA-N 1 2 395.513 4.381 20 0 GIADLO Cc1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cnn1-c1cccc(C)c1 ZINC000029609123 820483728 /nfs/dbraw/zinc/48/37/28/820483728.db2.gz UJHSJOZVJDJYDQ-UHFFFAOYSA-N 1 2 395.532 4.184 20 0 GIADLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000029733784 820509382 /nfs/dbraw/zinc/50/93/82/820509382.db2.gz KPBHSPBTKYWMGK-AWEZNQCLSA-N 1 2 392.425 4.261 20 0 GIADLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)c1 ZINC000029831153 820528237 /nfs/dbraw/zinc/52/82/37/820528237.db2.gz DNFOMLIDNCOTNG-UHFFFAOYSA-N 1 2 393.462 4.137 20 0 GIADLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)c1 ZINC000029831153 820528243 /nfs/dbraw/zinc/52/82/43/820528243.db2.gz DNFOMLIDNCOTNG-UHFFFAOYSA-N 1 2 393.462 4.137 20 0 GIADLO O=C(CCCc1c[nH]c2ccccc12)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000029870704 820536803 /nfs/dbraw/zinc/53/68/03/820536803.db2.gz IXDBEUFUMWQWAB-UHFFFAOYSA-N 1 2 386.499 4.094 20 0 GIADLO O=C(Nc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1)c1cccs1 ZINC000029916923 820548041 /nfs/dbraw/zinc/54/80/41/820548041.db2.gz ZFAHXDBUSSDELT-UHFFFAOYSA-N 1 2 388.452 4.438 20 0 GIADLO CCOc1ccc(-c2nc(C[N@H+](C)Cc3ccc(C(=O)NC)cc3)cs2)cc1 ZINC000029930139 820550011 /nfs/dbraw/zinc/55/00/11/820550011.db2.gz SWJBNOJCLQDYCB-UHFFFAOYSA-N 1 2 395.528 4.200 20 0 GIADLO CCOc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C(=O)NC)cc3)cs2)cc1 ZINC000029930139 820550019 /nfs/dbraw/zinc/55/00/19/820550019.db2.gz SWJBNOJCLQDYCB-UHFFFAOYSA-N 1 2 395.528 4.200 20 0 GIADLO Cc1nc2ccccc2nc1N1CC[NH+]([C@H](C)c2nc3ccccc3s2)CC1 ZINC000030003791 820566161 /nfs/dbraw/zinc/56/61/61/820566161.db2.gz PIWDIGVIQVQMRF-MRXNPFEDSA-N 1 2 389.528 4.431 20 0 GIADLO O=C(COc1ccccc1-c1ccccc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030012152 820568731 /nfs/dbraw/zinc/56/87/31/820568731.db2.gz QOMQJWSBFFHZER-UHFFFAOYSA-N 1 2 387.483 4.044 20 0 GIADLO Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030011719 820569035 /nfs/dbraw/zinc/56/90/35/820569035.db2.gz QJODVTKZHARVRT-UHFFFAOYSA-N 1 2 396.878 4.229 20 0 GIADLO Cc1nc(-c2ccccc2)sc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030030280 820571940 /nfs/dbraw/zinc/57/19/40/820571940.db2.gz ZVCBATPPIQFPBP-LJQANCHMSA-N 1 2 377.513 4.247 20 0 GIADLO Cc1nc(-c2ccccc2)sc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030030280 820571944 /nfs/dbraw/zinc/57/19/44/820571944.db2.gz ZVCBATPPIQFPBP-LJQANCHMSA-N 1 2 377.513 4.247 20 0 GIADLO COC[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)c1ccco1 ZINC000177573651 823494368 /nfs/dbraw/zinc/49/43/68/823494368.db2.gz FNXLTKLETSFKQJ-HXUWFJFHSA-N 1 2 380.444 4.018 20 0 GIADLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000410413783 823490321 /nfs/dbraw/zinc/49/03/21/823490321.db2.gz NPSAMFQINHRWPQ-SUMWQHHRSA-N 1 2 376.547 4.177 20 0 GIADLO COC(=O)[C@@H](c1ccsc1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000410413783 823490323 /nfs/dbraw/zinc/49/03/23/823490323.db2.gz NPSAMFQINHRWPQ-SUMWQHHRSA-N 1 2 376.547 4.177 20 0 GIADLO CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000059298429 823490424 /nfs/dbraw/zinc/49/04/24/823490424.db2.gz SWOZYYCLCJRVGV-UHFFFAOYSA-N 1 2 393.512 4.171 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC2(CCCC2)c2ccccc21 ZINC000573412372 823490485 /nfs/dbraw/zinc/49/04/85/823490485.db2.gz JKQNHDXECKWTBR-UHFFFAOYSA-N 1 2 386.499 4.473 20 0 GIADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000059393401 823495038 /nfs/dbraw/zinc/49/50/38/823495038.db2.gz CJAWKAKIYLUQOM-RVKKMQEKSA-N 1 2 379.342 4.091 20 0 GIADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000059393401 823495039 /nfs/dbraw/zinc/49/50/39/823495039.db2.gz CJAWKAKIYLUQOM-RVKKMQEKSA-N 1 2 379.342 4.091 20 0 GIADLO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000177564989 823492490 /nfs/dbraw/zinc/49/24/90/823492490.db2.gz PPBCWCKVLQYIMB-IBGZPJMESA-N 1 2 388.511 4.092 20 0 GIADLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cccc(SCc2ccccc2)c1)C1CC1 ZINC000573432585 823492563 /nfs/dbraw/zinc/49/25/63/823492563.db2.gz VVCUCLIJOHFOPX-KRWDZBQOSA-N 1 2 389.586 4.376 20 0 GIADLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cccc(SCc2ccccc2)c1)C1CC1 ZINC000573432585 823492567 /nfs/dbraw/zinc/49/25/67/823492567.db2.gz VVCUCLIJOHFOPX-KRWDZBQOSA-N 1 2 389.586 4.376 20 0 GIADLO CSc1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)n1-c1ccc(F)cc1 ZINC000030609221 820649317 /nfs/dbraw/zinc/64/93/17/820649317.db2.gz BFGRPXFWMTVGEP-UHFFFAOYSA-N 1 2 393.447 4.171 20 0 GIADLO O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030607552 820649591 /nfs/dbraw/zinc/64/95/91/820649591.db2.gz SLFYTZPOKLDXMM-UHFFFAOYSA-N 1 2 396.422 4.450 20 0 GIADLO Cc1c(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)sc2nc(C)nc(C)c12 ZINC000030644004 820657040 /nfs/dbraw/zinc/65/70/40/820657040.db2.gz PHWLVWJLZMDPTD-LJQANCHMSA-N 1 2 395.507 4.368 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1csc(-c2cccs2)n1 ZINC000030655724 820659312 /nfs/dbraw/zinc/65/93/12/820659312.db2.gz ZCOAVUYTFFQVCZ-UHFFFAOYSA-N 1 2 380.498 4.046 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(OC)cc(OC)c1 ZINC000123334135 823497824 /nfs/dbraw/zinc/49/78/24/823497824.db2.gz ZBULQKMNUMTOJY-UHFFFAOYSA-N 1 2 397.302 4.471 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(OC)cc(OC)c1 ZINC000123334135 823497825 /nfs/dbraw/zinc/49/78/25/823497825.db2.gz ZBULQKMNUMTOJY-UHFFFAOYSA-N 1 2 397.302 4.471 20 0 GIADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000030974105 820713588 /nfs/dbraw/zinc/71/35/88/820713588.db2.gz LPGWFYZSZDLYLI-ZIAGYGMSSA-N 1 2 379.298 4.048 20 0 GIADLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030974105 820713592 /nfs/dbraw/zinc/71/35/92/820713592.db2.gz LPGWFYZSZDLYLI-ZIAGYGMSSA-N 1 2 379.298 4.048 20 0 GIADLO O=C(C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1F ZINC000059959092 823503802 /nfs/dbraw/zinc/50/38/02/823503802.db2.gz PHEDVJXZHVMOKT-QGZVFWFLSA-N 1 2 376.859 4.099 20 0 GIADLO O=C(C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1F ZINC000059959092 823503804 /nfs/dbraw/zinc/50/38/04/823503804.db2.gz PHEDVJXZHVMOKT-QGZVFWFLSA-N 1 2 376.859 4.099 20 0 GIADLO COc1ccccc1NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031092575 820739029 /nfs/dbraw/zinc/73/90/29/820739029.db2.gz KSPHENGMTJBLOR-KRWDZBQOSA-N 1 2 391.874 4.446 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@H](C)c2nnnn2C2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000189839868 823504769 /nfs/dbraw/zinc/50/47/69/823504769.db2.gz UICXJSKTUQKYJI-LSDHHAIUSA-N 1 2 397.502 4.223 20 0 GIADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)n1C ZINC000031165107 820757667 /nfs/dbraw/zinc/75/76/67/820757667.db2.gz VXCZAVRVOKMUQG-UHFFFAOYSA-N 1 2 397.519 4.159 20 0 GIADLO CC(C)c1ccc(SCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000031448763 820813218 /nfs/dbraw/zinc/81/32/18/820813218.db2.gz LHIIBCMNJPCNCO-UHFFFAOYSA-N 1 2 398.572 4.051 20 0 GIADLO Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000031493847 820817758 /nfs/dbraw/zinc/81/77/58/820817758.db2.gz VNJDAZODPNQKIN-SFHVURJKSA-N 1 2 398.576 4.046 20 0 GIADLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000177654493 823508083 /nfs/dbraw/zinc/50/80/83/823508083.db2.gz PXAOOXGCXJTAAR-CQSZACIVSA-N 1 2 388.487 4.458 20 0 GIADLO C[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[NH+]1CCN(c2ccccc2)CC1 ZINC000031643277 820837630 /nfs/dbraw/zinc/83/76/30/820837630.db2.gz YHCSHQAEKSSDPW-QKIXXSFTSA-N 1 2 392.330 4.329 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1csc(-c2ccccc2)n1 ZINC000060127881 823509329 /nfs/dbraw/zinc/50/93/29/823509329.db2.gz GYSAAWMYCAWWLB-UHFFFAOYSA-N 1 2 390.468 4.338 20 0 GIADLO C[C@@H](Oc1ccccc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895239 820871564 /nfs/dbraw/zinc/87/15/64/820871564.db2.gz CFMUOKRZNBYUFR-BEFAXECRSA-N 1 2 390.886 4.200 20 0 GIADLO O=C(Cc1cccc(F)c1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031897646 820872281 /nfs/dbraw/zinc/87/22/81/820872281.db2.gz PUEYCCOPYHKFNX-GOSISDBHSA-N 1 2 378.850 4.114 20 0 GIADLO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000031962947 820880309 /nfs/dbraw/zinc/88/03/09/820880309.db2.gz CLRZFYLICDBWDC-AWEZNQCLSA-N 1 2 397.569 4.357 20 0 GIADLO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000031962947 820880315 /nfs/dbraw/zinc/88/03/15/820880315.db2.gz CLRZFYLICDBWDC-AWEZNQCLSA-N 1 2 397.569 4.357 20 0 GIADLO C[C@H]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000123462604 823511639 /nfs/dbraw/zinc/51/16/39/823511639.db2.gz JYEWLTWJCINTQS-XJKSGUPXSA-N 1 2 386.908 4.383 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2csc(-c3ccc(Cl)s3)n2)c1C ZINC000060248746 823513604 /nfs/dbraw/zinc/51/36/04/823513604.db2.gz PYUDZALFVQNRIW-UHFFFAOYSA-N 1 2 393.921 4.475 20 0 GIADLO O=C(NC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1)C1CCCCC1 ZINC000177693447 823514138 /nfs/dbraw/zinc/51/41/38/823514138.db2.gz FQRJNDNHKDBYDZ-UHFFFAOYSA-N 1 2 397.332 4.249 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1SC(F)(F)F ZINC000032313627 820913602 /nfs/dbraw/zinc/91/36/02/820913602.db2.gz HBAFXOIYVQGMHV-UHFFFAOYSA-N 1 2 391.418 4.473 20 0 GIADLO CCCCCNC(=O)C1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000060339649 823517040 /nfs/dbraw/zinc/51/70/40/823517040.db2.gz ZYYYMKLXSSEYES-UHFFFAOYSA-N 1 2 397.350 4.160 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000177724355 823517107 /nfs/dbraw/zinc/51/71/07/823517107.db2.gz QDUBTVOWXPJTFQ-OQRWROFFSA-N 1 2 380.513 4.209 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000177724355 823517108 /nfs/dbraw/zinc/51/71/08/823517108.db2.gz QDUBTVOWXPJTFQ-OQRWROFFSA-N 1 2 380.513 4.209 20 0 GIADLO Cc1ccc(-c2nc(C)c(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)s2)o1 ZINC000032941242 821021341 /nfs/dbraw/zinc/02/13/41/821021341.db2.gz MSTCZLXOWDYRML-KRWDZBQOSA-N 1 2 381.501 4.149 20 0 GIADLO Cc1ccc(-c2nc(C)c(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)s2)o1 ZINC000032941242 821021349 /nfs/dbraw/zinc/02/13/49/821021349.db2.gz MSTCZLXOWDYRML-KRWDZBQOSA-N 1 2 381.501 4.149 20 0 GIADLO COc1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c(OC(F)F)c1 ZINC000190024378 823527504 /nfs/dbraw/zinc/52/75/04/823527504.db2.gz CMFGMVJKDNBDMU-UHFFFAOYSA-N 1 2 399.384 4.058 20 0 GIADLO C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000033240914 821053947 /nfs/dbraw/zinc/05/39/47/821053947.db2.gz LJLPHXYXUGASTI-INIZCTEOSA-N 1 2 399.560 4.270 20 0 GIADLO CC(C)c1ccc(NC(=S)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000038252467 821095329 /nfs/dbraw/zinc/09/53/29/821095329.db2.gz NDMUUUHFAHUXGA-UHFFFAOYSA-N 1 2 378.545 4.196 20 0 GIADLO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177781074 823525666 /nfs/dbraw/zinc/52/56/66/823525666.db2.gz HWCWMEYLEVDAIM-RXVVDRJESA-N 1 2 375.472 4.009 20 0 GIADLO CC[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1F ZINC000123617006 823526195 /nfs/dbraw/zinc/52/61/95/823526195.db2.gz CTPRJRJNLNWSRW-HXUWFJFHSA-N 1 2 398.457 4.203 20 0 GIADLO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000177787456 823526250 /nfs/dbraw/zinc/52/62/50/823526250.db2.gz GMYBCAYHTUERDS-UHFFFAOYSA-N 1 2 380.513 4.249 20 0 GIADLO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000177787456 823526253 /nfs/dbraw/zinc/52/62/53/823526253.db2.gz GMYBCAYHTUERDS-UHFFFAOYSA-N 1 2 380.513 4.249 20 0 GIADLO COc1ccc(C2(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CCCC2)cc1 ZINC000060480378 823532796 /nfs/dbraw/zinc/53/27/96/823532796.db2.gz OIDZQWFPIFVYAJ-UHFFFAOYSA-N 1 2 375.472 4.009 20 0 GIADLO O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)NC1CCCCCC1 ZINC000060483718 823533250 /nfs/dbraw/zinc/53/32/50/823533250.db2.gz DYNPTQYWSZASHL-UHFFFAOYSA-N 1 2 376.928 4.074 20 0 GIADLO Cc1cccc(N2CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC2)c1C ZINC000040945470 821165912 /nfs/dbraw/zinc/16/59/12/821165912.db2.gz AHWRGGDGMZYNBY-UHFFFAOYSA-N 1 2 382.895 4.329 20 0 GIADLO CCOC1CC[NH+](CC(=O)c2cc(C)n(CCc3ccc(OC)cc3)c2C)CC1 ZINC000060485497 823533525 /nfs/dbraw/zinc/53/35/25/823533525.db2.gz HLCOMSYAHQABGX-UHFFFAOYSA-N 1 2 398.547 4.040 20 0 GIADLO CCC(CC)N(CC)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000460878991 823534962 /nfs/dbraw/zinc/53/49/62/823534962.db2.gz FBSWERYORSVINT-UHFFFAOYSA-N 1 2 395.345 4.168 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCOc2ccc3ccccc3c2)c1C ZINC000060535125 823539411 /nfs/dbraw/zinc/53/94/11/823539411.db2.gz DBXIXYPODMNFNY-UHFFFAOYSA-N 1 2 393.487 4.081 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000042466089 821307387 /nfs/dbraw/zinc/30/73/87/821307387.db2.gz DZZNXDNJKSTNES-UHFFFAOYSA-N 1 2 375.881 4.177 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NCc2cccs2)cc1 ZINC000042839087 821336570 /nfs/dbraw/zinc/33/65/70/821336570.db2.gz WXMNLROEMZKAOP-UHFFFAOYSA-N 1 2 398.532 4.145 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(C)c1 ZINC000043150549 821369167 /nfs/dbraw/zinc/36/91/67/821369167.db2.gz BLLKJCNTAWKDKB-UHFFFAOYSA-N 1 2 381.524 4.188 20 0 GIADLO CC[C@@H]([NH2+][C@H](C)c1nc(-c2ccc(OC)cc2)no1)c1ccc2c(c1)OCCO2 ZINC000180633339 821375924 /nfs/dbraw/zinc/37/59/24/821375924.db2.gz PRQGAEKSPDRLQH-RDTXWAMCSA-N 1 2 395.459 4.318 20 0 GIADLO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000180669034 821389151 /nfs/dbraw/zinc/38/91/51/821389151.db2.gz JKPNYHQFPBNCOH-HUUCEWRRSA-N 1 2 378.480 4.008 20 0 GIADLO CCc1cccc(CC)c1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043340460 821394788 /nfs/dbraw/zinc/39/47/88/821394788.db2.gz KAFIKXHYMIEEBX-UHFFFAOYSA-N 1 2 376.504 4.420 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000043362353 821398139 /nfs/dbraw/zinc/39/81/39/821398139.db2.gz CAZTWIGQNIWKFH-UHFFFAOYSA-N 1 2 396.825 4.258 20 0 GIADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)ccc1Oc1cccnc1 ZINC000180724813 821418922 /nfs/dbraw/zinc/41/89/22/821418922.db2.gz RKTBTFGEFBZGQR-FPOVZHCZSA-N 1 2 394.471 4.100 20 0 GIADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)ccc1Oc1cccnc1 ZINC000180724813 821418923 /nfs/dbraw/zinc/41/89/23/821418923.db2.gz RKTBTFGEFBZGQR-FPOVZHCZSA-N 1 2 394.471 4.100 20 0 GIADLO C[C@@H]1c2ccsc2CCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043500349 821419593 /nfs/dbraw/zinc/41/95/93/821419593.db2.gz FKUQOFHTVDSMGD-CYBMUJFWSA-N 1 2 376.551 4.342 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@H]1Cc1ccccc1 ZINC000043516929 821420581 /nfs/dbraw/zinc/42/05/81/821420581.db2.gz JWDKOPHAFNTPAB-IBGZPJMESA-N 1 2 384.549 4.368 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3c[nH]c4ccccc34)n2)C1 ZINC000043546442 821423850 /nfs/dbraw/zinc/42/38/50/821423850.db2.gz PJZXATUDUCDFAM-HNNXBMFYSA-N 1 2 397.548 4.221 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3c[nH]c4ccccc34)n2)C1 ZINC000043546442 821423856 /nfs/dbraw/zinc/42/38/56/821423856.db2.gz PJZXATUDUCDFAM-HNNXBMFYSA-N 1 2 397.548 4.221 20 0 GIADLO Cc1ccc(-c2nc(C[N@@H+](C)Cc3ccccc3N3CCOCC3)co2)cc1 ZINC000043607269 821430944 /nfs/dbraw/zinc/43/09/44/821430944.db2.gz VQEZRNSYTHRWDI-UHFFFAOYSA-N 1 2 377.488 4.119 20 0 GIADLO Cc1ccc(-c2nc(C[N@H+](C)Cc3ccccc3N3CCOCC3)co2)cc1 ZINC000043607269 821430950 /nfs/dbraw/zinc/43/09/50/821430950.db2.gz VQEZRNSYTHRWDI-UHFFFAOYSA-N 1 2 377.488 4.119 20 0 GIADLO CCC(=O)N1CC[C@H]([NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)C1 ZINC000180778412 821451887 /nfs/dbraw/zinc/45/18/87/821451887.db2.gz CFFBRUCYSNPEET-XOBRGWDASA-N 1 2 378.850 4.308 20 0 GIADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000180798318 821464063 /nfs/dbraw/zinc/46/40/63/821464063.db2.gz UNISOSWSIAETTG-XMSQKQJNSA-N 1 2 381.520 4.227 20 0 GIADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000180798318 821464071 /nfs/dbraw/zinc/46/40/71/821464071.db2.gz UNISOSWSIAETTG-XMSQKQJNSA-N 1 2 381.520 4.227 20 0 GIADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000180805230 821468198 /nfs/dbraw/zinc/46/81/98/821468198.db2.gz UPDZXJHWPQNSNV-HNNXBMFYSA-N 1 2 391.437 4.284 20 0 GIADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000180805230 821468203 /nfs/dbraw/zinc/46/82/03/821468203.db2.gz UPDZXJHWPQNSNV-HNNXBMFYSA-N 1 2 391.437 4.284 20 0 GIADLO C[C@H](C[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1)c1cccc(Br)c1 ZINC000180835648 821487347 /nfs/dbraw/zinc/48/73/47/821487347.db2.gz GJGUPRGIVVGQML-CHWSQXEVSA-N 1 2 379.264 4.121 20 0 GIADLO C[C@H](C[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1)c1cccc(Br)c1 ZINC000180835648 821487351 /nfs/dbraw/zinc/48/73/51/821487351.db2.gz GJGUPRGIVVGQML-CHWSQXEVSA-N 1 2 379.264 4.121 20 0 GIADLO CCc1nc2ccccc2n1C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000180964242 821559218 /nfs/dbraw/zinc/55/92/18/821559218.db2.gz IUSUOKZKODRYQD-UHFFFAOYSA-N 1 2 379.508 4.476 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044313480 821568555 /nfs/dbraw/zinc/56/85/55/821568555.db2.gz WQNIUPAMAXQMNK-QWHCGFSZSA-N 1 2 375.460 4.436 20 0 GIADLO Cc1noc(C)c1CSCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044567242 821609730 /nfs/dbraw/zinc/60/97/30/821609730.db2.gz UGVLHVZBRAPECY-UHFFFAOYSA-N 1 2 396.516 4.363 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)C1(c2cccc(Cl)c2)CC1 ZINC000044601142 821619720 /nfs/dbraw/zinc/61/97/20/821619720.db2.gz DVNFQJMZIRKKAK-UHFFFAOYSA-N 1 2 375.925 4.453 20 0 GIADLO O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000181118368 821643531 /nfs/dbraw/zinc/64/35/31/821643531.db2.gz HGJNBVGJRRPXIA-INIZCTEOSA-N 1 2 381.476 4.052 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000181191908 821687754 /nfs/dbraw/zinc/68/77/54/821687754.db2.gz IWVDJVCBFPQYCA-GHTZIAJQSA-N 1 2 377.488 4.226 20 0 GIADLO Fc1ccc(OCc2noc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181233131 821710255 /nfs/dbraw/zinc/71/02/55/821710255.db2.gz UPLYHVNPISLGMI-JXFKEZNVSA-N 1 2 397.450 4.045 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1nnc(-c2ccccc2)o1 ZINC000181265834 821724251 /nfs/dbraw/zinc/72/42/51/821724251.db2.gz AZBNIZUBPCSGKP-HUUCEWRRSA-N 1 2 378.432 4.105 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)c1ccc2c(c1)CCO2 ZINC000181276193 821728920 /nfs/dbraw/zinc/72/89/20/821728920.db2.gz NYWQGFIGIAVECV-GFCCVEGCSA-N 1 2 399.292 4.020 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1nc(-c2cccs2)no1 ZINC000181287429 821736487 /nfs/dbraw/zinc/73/64/87/821736487.db2.gz FHBBEJRQGRASMB-QWHCGFSZSA-N 1 2 384.461 4.167 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1nc(Cc2ccccc2)no1 ZINC000181295300 821740898 /nfs/dbraw/zinc/74/08/98/821740898.db2.gz JUXRPDHYJGRWNG-HZPDHXFCSA-N 1 2 392.459 4.029 20 0 GIADLO Cc1ccccc1-c1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000181312859 821751362 /nfs/dbraw/zinc/75/13/62/821751362.db2.gz WRWGVTMOAOZYMC-JKSUJKDBSA-N 1 2 392.459 4.413 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3ncccc3C(F)(F)F)n2)CC1 ZINC000181322838 821758413 /nfs/dbraw/zinc/75/84/13/821758413.db2.gz GRAKSZYMJSWJSQ-UHFFFAOYSA-N 1 2 384.427 4.041 20 0 GIADLO C[C@@H](NC(=O)C[N@H+](Cc1ccccn1)C1CC1)c1ccc(Cl)cc1Cl ZINC000181350704 821779840 /nfs/dbraw/zinc/77/98/40/821779840.db2.gz HVZVUUVHMULXKV-CYBMUJFWSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@@H](NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)c1ccc(Cl)cc1Cl ZINC000181350704 821779845 /nfs/dbraw/zinc/77/98/45/821779845.db2.gz HVZVUUVHMULXKV-CYBMUJFWSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1nc(-c2cccs2)no1 ZINC000181376197 821794334 /nfs/dbraw/zinc/79/43/34/821794334.db2.gz VPUVKIYLGLVVAN-ZIAGYGMSSA-N 1 2 382.489 4.337 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2[C@H](C)CCC[C@@H]2CO)cs1 ZINC000181389165 821800799 /nfs/dbraw/zinc/80/07/99/821800799.db2.gz JUWABHQMGHFXCV-DNVCBOLYSA-N 1 2 387.549 4.125 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2[C@H](C)CCC[C@@H]2CO)cs1 ZINC000181389165 821800811 /nfs/dbraw/zinc/80/08/11/821800811.db2.gz JUWABHQMGHFXCV-DNVCBOLYSA-N 1 2 387.549 4.125 20 0 GIADLO Cc1ccc(CC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C[C@H]2CCCO2)cc1 ZINC000181402166 821808283 /nfs/dbraw/zinc/80/82/83/821808283.db2.gz SNUJEPNCNJDLRR-OAQYLSRUSA-N 1 2 380.536 4.023 20 0 GIADLO Cc1ccc(CC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C[C@H]2CCCO2)cc1 ZINC000181402166 821808293 /nfs/dbraw/zinc/80/82/93/821808293.db2.gz SNUJEPNCNJDLRR-OAQYLSRUSA-N 1 2 380.536 4.023 20 0 GIADLO COC[C@@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)c1ccc(F)c(F)c1 ZINC000181440812 821827873 /nfs/dbraw/zinc/82/78/73/821827873.db2.gz VEQWTPUMANJUSQ-MRXNPFEDSA-N 1 2 386.229 4.397 20 0 GIADLO Cc1cccc(-c2noc(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)n2)c1 ZINC000181445979 821829343 /nfs/dbraw/zinc/82/93/43/821829343.db2.gz LOCAPVLIQCIFET-MRXNPFEDSA-N 1 2 376.460 4.023 20 0 GIADLO Cn1c(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)nnc1C1CCC1 ZINC000181511637 821860891 /nfs/dbraw/zinc/86/08/91/821860891.db2.gz LCGZPLIDNZBAOH-UHFFFAOYSA-N 1 2 376.957 4.493 20 0 GIADLO Cn1c(C[NH2+]C(C)(C)c2ccccc2Br)nnc1-c1ccccc1 ZINC000181513029 821861404 /nfs/dbraw/zinc/86/14/04/821861404.db2.gz YMSVIKWUIHWQNE-UHFFFAOYSA-N 1 2 385.309 4.270 20 0 GIADLO Clc1ccccc1OC[C@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181517462 821863572 /nfs/dbraw/zinc/86/35/72/821863572.db2.gz GHLYFUNJQFXFMN-HNNXBMFYSA-N 1 2 386.927 4.435 20 0 GIADLO Clc1ccccc1OC[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000181517462 821863584 /nfs/dbraw/zinc/86/35/84/821863584.db2.gz GHLYFUNJQFXFMN-HNNXBMFYSA-N 1 2 386.927 4.435 20 0 GIADLO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4nnc(C5CC5)n4C4CC4)C3)[nH]c2c1 ZINC000181525655 821866784 /nfs/dbraw/zinc/86/67/84/821866784.db2.gz HQWDNATVECWZFE-MRXNPFEDSA-N 1 2 376.508 4.055 20 0 GIADLO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4nnc(C5CC5)n4C4CC4)C3)[nH]c2c1 ZINC000181525655 821866791 /nfs/dbraw/zinc/86/67/91/821866791.db2.gz HQWDNATVECWZFE-MRXNPFEDSA-N 1 2 376.508 4.055 20 0 GIADLO COc1ccc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)c(Br)c1OC ZINC000181613543 821903817 /nfs/dbraw/zinc/90/38/17/821903817.db2.gz NQOKNMFZCYVCDB-OAHLLOKOSA-N 1 2 397.338 4.472 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)c1c(F)cccc1Cl ZINC000181739154 821970115 /nfs/dbraw/zinc/97/01/15/821970115.db2.gz RAJOBJTZJRNVHQ-GFCCVEGCSA-N 1 2 392.887 4.075 20 0 GIADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] ZINC000181824915 822007767 /nfs/dbraw/zinc/00/77/67/822007767.db2.gz RBNQUURHGLLXSY-STQMWFEESA-N 1 2 397.391 4.273 20 0 GIADLO COCc1noc(C[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C(C)C)n1 ZINC000182085185 822087284 /nfs/dbraw/zinc/08/72/84/822087284.db2.gz KBGMFEOCLJVBRH-UHFFFAOYSA-N 1 2 375.469 4.494 20 0 GIADLO COCc1noc(C[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C(C)C)n1 ZINC000182085185 822087292 /nfs/dbraw/zinc/08/72/92/822087292.db2.gz KBGMFEOCLJVBRH-UHFFFAOYSA-N 1 2 375.469 4.494 20 0 GIADLO Cc1cc(C)cc([C@H]2CCN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C2)c1 ZINC000182262263 822175343 /nfs/dbraw/zinc/17/53/43/822175343.db2.gz MKZSDDDIZHYAIL-QFIPXVFZSA-N 1 2 388.515 4.247 20 0 GIADLO Cc1cc(C)cc([C@@H]2CCN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)C2)c1 ZINC000182281129 822185307 /nfs/dbraw/zinc/18/53/07/822185307.db2.gz AVNZYEPXEWHXJD-JOCHJYFZSA-N 1 2 388.515 4.247 20 0 GIADLO CCN(CC)C(=O)COc1cccc(N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000182310457 822198206 /nfs/dbraw/zinc/19/82/06/822198206.db2.gz XTFOPQPRXVJCOH-GOSISDBHSA-N 1 2 392.503 4.293 20 0 GIADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000182379945 822222313 /nfs/dbraw/zinc/22/23/13/822222313.db2.gz FLZFLKFYFUEYGY-KRWDZBQOSA-N 1 2 391.306 4.251 20 0 GIADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000182379945 822222319 /nfs/dbraw/zinc/22/23/19/822222319.db2.gz FLZFLKFYFUEYGY-KRWDZBQOSA-N 1 2 391.306 4.251 20 0 GIADLO CC[C@@H]([NH2+]Cc1csc(-c2ccc(C(=O)OC)cc2)n1)c1c(C)noc1C ZINC000182397540 822228861 /nfs/dbraw/zinc/22/88/61/822228861.db2.gz DKDRBEJTUMEPGP-QGZVFWFLSA-N 1 2 385.489 4.442 20 0 GIADLO CC[C@H]([NH2+]Cc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1c(C)noc1C ZINC000182425401 822239222 /nfs/dbraw/zinc/23/92/22/822239222.db2.gz KWSVJFTYMRSTFE-SFHVURJKSA-N 1 2 398.532 4.478 20 0 GIADLO CC[C@@H]([NH2+]Cc1csc(-c2cccc(C(=O)OC)c2)n1)c1c(C)noc1C ZINC000182478218 822258065 /nfs/dbraw/zinc/25/80/65/822258065.db2.gz SMLKWIWJEAXOFR-QGZVFWFLSA-N 1 2 385.489 4.442 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182486756 822262155 /nfs/dbraw/zinc/26/21/55/822262155.db2.gz WTTGGVWKTZSXDW-NVXWUHKLSA-N 1 2 378.501 4.168 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182486756 822262163 /nfs/dbraw/zinc/26/21/63/822262163.db2.gz WTTGGVWKTZSXDW-NVXWUHKLSA-N 1 2 378.501 4.168 20 0 GIADLO COc1ccc(OCC[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)cc1 ZINC000177997840 822276046 /nfs/dbraw/zinc/27/60/46/822276046.db2.gz OYUQZJNXBGLFMQ-UHFFFAOYSA-N 1 2 377.488 4.183 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000182524275 822282691 /nfs/dbraw/zinc/28/26/91/822282691.db2.gz JJMYUWWPZIFPPV-UHFFFAOYSA-N 1 2 383.275 4.134 20 0 GIADLO NC(=O)c1cccc(C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)c1 ZINC000182531108 822285784 /nfs/dbraw/zinc/28/57/84/822285784.db2.gz HVFCMGRPGGGXKE-GOSISDBHSA-N 1 2 385.261 4.020 20 0 GIADLO O=C(C1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1)N1CCc2ccccc21 ZINC000182539058 822290180 /nfs/dbraw/zinc/29/01/80/822290180.db2.gz MIDLRSNSWHKMCI-UHFFFAOYSA-N 1 2 390.314 4.190 20 0 GIADLO CN(C)c1ncccc1C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000182543067 822293083 /nfs/dbraw/zinc/29/30/83/822293083.db2.gz MSVASKDFAMQYFR-SFHVURJKSA-N 1 2 386.293 4.382 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000182556635 822300597 /nfs/dbraw/zinc/30/05/97/822300597.db2.gz GJLAPGSKTRCYCX-QMTHXVAHSA-N 1 2 399.239 4.039 20 0 GIADLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000178074330 822309727 /nfs/dbraw/zinc/30/97/27/822309727.db2.gz BADVCZFQVWKKHE-MRXNPFEDSA-N 1 2 389.434 4.445 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](C)c3cc4ccccc4o3)nc2c1 ZINC000182642819 822335491 /nfs/dbraw/zinc/33/54/91/822335491.db2.gz NMTWGJKANQCUQN-CYBMUJFWSA-N 1 2 384.457 4.218 20 0 GIADLO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178176440 822343511 /nfs/dbraw/zinc/34/35/11/822343511.db2.gz SCUAWEXIFYUIGB-UHFFFAOYSA-N 1 2 399.454 4.217 20 0 GIADLO CCOc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c(C(F)(F)F)c1 ZINC000178189805 822347233 /nfs/dbraw/zinc/34/72/33/822347233.db2.gz ZRAHNMRYYKAVCH-UHFFFAOYSA-N 1 2 378.354 4.074 20 0 GIADLO O=C(NCCc1c[nH]c2ccccc12)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178255850 822359392 /nfs/dbraw/zinc/35/93/92/822359392.db2.gz SBFFJWXWMRAKAQ-PKTZIBPZSA-N 1 2 399.498 4.135 20 0 GIADLO N#Cc1cccc(C[NH2+]Cc2cc(Br)cc(Br)c2O)c1 ZINC000182757121 822362888 /nfs/dbraw/zinc/36/28/88/822362888.db2.gz FQXVWIQSKFULFO-UHFFFAOYSA-N 1 2 396.082 4.079 20 0 GIADLO O=C(NCc1ccc(Cl)s1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178304697 822365447 /nfs/dbraw/zinc/36/54/47/822365447.db2.gz TYEGGGLRRJGAQM-AEFFLSMTSA-N 1 2 386.908 4.326 20 0 GIADLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000178518922 822387412 /nfs/dbraw/zinc/38/74/12/822387412.db2.gz KGQAVWJSJGPSDH-CQSZACIVSA-N 1 2 392.496 4.025 20 0 GIADLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000178518922 822387415 /nfs/dbraw/zinc/38/74/15/822387415.db2.gz KGQAVWJSJGPSDH-CQSZACIVSA-N 1 2 392.496 4.025 20 0 GIADLO Cc1ccc([C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2Cl)cc1 ZINC000182905807 822390185 /nfs/dbraw/zinc/39/01/85/822390185.db2.gz AMRIFGKQKJBEOI-LPHOPBHVSA-N 1 2 381.900 4.044 20 0 GIADLO Cc1ccc(Br)cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045490361 822390332 /nfs/dbraw/zinc/39/03/32/822390332.db2.gz NTYDVTRYKZCJBI-UHFFFAOYSA-N 1 2 389.297 4.074 20 0 GIADLO CN(Cc1ccc(Cl)s1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532487 822394258 /nfs/dbraw/zinc/39/42/58/822394258.db2.gz FYCKKMJMKMSRQW-UHFFFAOYSA-N 1 2 388.924 4.030 20 0 GIADLO COc1ccc(/C(C)=C/c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000178632523 822397840 /nfs/dbraw/zinc/39/78/40/822397840.db2.gz HDDZIFMTTDZKPN-SAPNQHFASA-N 1 2 391.471 4.138 20 0 GIADLO CC(C)[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000045606347 822399506 /nfs/dbraw/zinc/39/95/06/822399506.db2.gz MBDRGRSIAJOLJV-NRFANRHFSA-N 1 2 380.467 4.267 20 0 GIADLO O=C(CC1CCC(C(F)(F)F)CC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000182985829 822405479 /nfs/dbraw/zinc/40/54/79/822405479.db2.gz NVORYUKQUOCOAD-UHFFFAOYSA-N 1 2 379.426 4.306 20 0 GIADLO O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178778040 822408995 /nfs/dbraw/zinc/40/89/95/822408995.db2.gz PYEPZKBAUHAVHK-QUCCMNQESA-N 1 2 379.891 4.199 20 0 GIADLO O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045732262 822409036 /nfs/dbraw/zinc/40/90/36/822409036.db2.gz QJMHNWIMNMZIEK-UHFFFAOYSA-N 1 2 392.459 4.370 20 0 GIADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178789600 822409987 /nfs/dbraw/zinc/40/99/87/822409987.db2.gz XQUWYEBWKFEGLY-YDBLSZJJSA-N 1 2 399.343 4.190 20 0 GIADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178789600 822409989 /nfs/dbraw/zinc/40/99/89/822409989.db2.gz XQUWYEBWKFEGLY-YDBLSZJJSA-N 1 2 399.343 4.190 20 0 GIADLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000183042747 822416426 /nfs/dbraw/zinc/41/64/26/822416426.db2.gz RIYZZKWVNLTRBN-ZIAGYGMSSA-N 1 2 398.438 4.019 20 0 GIADLO CCC[C@@H](NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(C)(C)C ZINC000453879000 822418025 /nfs/dbraw/zinc/41/80/25/822418025.db2.gz KBNSPIMWLBDGCF-LJQANCHMSA-N 1 2 396.535 4.156 20 0 GIADLO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860182 822419366 /nfs/dbraw/zinc/41/93/66/822419366.db2.gz SFOQXSJYVXMLSC-UHFFFAOYSA-N 1 2 386.459 4.328 20 0 GIADLO Clc1ccc([C@H]2CCCCC[N@@H+]2Cc2cn(Cc3cccnc3)nn2)cc1 ZINC000183085203 822422872 /nfs/dbraw/zinc/42/28/72/822422872.db2.gz CIKYMCVQUXGPKT-OAQYLSRUSA-N 1 2 381.911 4.492 20 0 GIADLO Clc1ccc([C@H]2CCCCC[N@H+]2Cc2cn(Cc3cccnc3)nn2)cc1 ZINC000183085203 822422873 /nfs/dbraw/zinc/42/28/73/822422873.db2.gz CIKYMCVQUXGPKT-OAQYLSRUSA-N 1 2 381.911 4.492 20 0 GIADLO O=c1nc(C(Cl)=Cc2cccc3[nH+]ccn32)[nH]c2sc3c(c21)CCCC3 ZINC000178942609 822423590 /nfs/dbraw/zinc/42/35/90/822423590.db2.gz OJLVIVJOYQGXSP-JLHYYAGUSA-N 1 2 382.876 4.248 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccccc1-n1cccn1 ZINC000183134928 822429103 /nfs/dbraw/zinc/42/91/03/822429103.db2.gz RPEGBCSEBUHCLS-LBPRGKRZSA-N 1 2 399.376 4.190 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(OC)c(F)c3)c2C1 ZINC000045989542 822431310 /nfs/dbraw/zinc/43/13/10/822431310.db2.gz KSBHIZQRKCYYJV-UHFFFAOYSA-N 1 2 379.435 4.013 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(OC)c(F)c3)c2C1 ZINC000045989542 822431311 /nfs/dbraw/zinc/43/13/11/822431311.db2.gz KSBHIZQRKCYYJV-UHFFFAOYSA-N 1 2 379.435 4.013 20 0 GIADLO Cc1cc(C(=O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(C)n1C1CC1 ZINC000183180148 822436593 /nfs/dbraw/zinc/43/65/93/822436593.db2.gz HGTAXPDRMXCUFE-UHFFFAOYSA-N 1 2 394.441 4.175 20 0 GIADLO Cc1nc2ccccc2nc1C[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000179109132 822439157 /nfs/dbraw/zinc/43/91/57/822439157.db2.gz XCGNJKXXCCRPAT-HXUWFJFHSA-N 1 2 385.414 4.113 20 0 GIADLO Cc1nc2ccccc2nc1C[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000179109132 822439160 /nfs/dbraw/zinc/43/91/60/822439160.db2.gz XCGNJKXXCCRPAT-HXUWFJFHSA-N 1 2 385.414 4.113 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCCc2ccccc2CC1 ZINC000454268924 822446985 /nfs/dbraw/zinc/44/69/85/822446985.db2.gz LAUQMOWKISYLMD-UHFFFAOYSA-N 1 2 384.549 4.152 20 0 GIADLO COc1ccc2cccc(CC(=O)N(C)Cc3[nH+]cc(C)c(OC)c3C)c2c1 ZINC000179190994 822448861 /nfs/dbraw/zinc/44/88/61/822448861.db2.gz AEILLIYDWRSSFJ-UHFFFAOYSA-N 1 2 378.472 4.070 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC(c2ccc(Cl)cc2)C1 ZINC000454279423 822449640 /nfs/dbraw/zinc/44/96/40/822449640.db2.gz YIWXTTCCTSKHCM-UHFFFAOYSA-N 1 2 390.940 4.414 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454279479 822449678 /nfs/dbraw/zinc/44/96/78/822449678.db2.gz PJZXJAHYICHFRZ-FQEVSTJZSA-N 1 2 380.492 4.102 20 0 GIADLO CN(Cc1ccco1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000046225910 822452292 /nfs/dbraw/zinc/45/22/92/822452292.db2.gz VUAJQZFJFPGCIN-KRWDZBQOSA-N 1 2 379.863 4.051 20 0 GIADLO C[C@H](c1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1)C(F)(F)F ZINC000454305155 822455157 /nfs/dbraw/zinc/45/51/57/822455157.db2.gz ALWNSXWZJFTCEU-CQSZACIVSA-N 1 2 382.451 4.372 20 0 GIADLO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000179238577 822455850 /nfs/dbraw/zinc/45/58/50/822455850.db2.gz JESGLSYYMGVXAF-LBPRGKRZSA-N 1 2 385.327 4.090 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cnn1C ZINC000183307575 822456659 /nfs/dbraw/zinc/45/66/59/822456659.db2.gz HOXJZVCZWVLCAM-VHSXEESVSA-N 1 2 380.279 4.497 20 0 GIADLO CC[N@H+](C)[C@@H](C(=O)OCc1ccccc1NC(=O)c1ccco1)c1ccccc1 ZINC000183328986 822459654 /nfs/dbraw/zinc/45/96/54/822459654.db2.gz ZSRBAXNNVLVKDW-OAQYLSRUSA-N 1 2 392.455 4.268 20 0 GIADLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccccc1NC(=O)c1ccco1)c1ccccc1 ZINC000183328986 822459657 /nfs/dbraw/zinc/45/96/57/822459657.db2.gz ZSRBAXNNVLVKDW-OAQYLSRUSA-N 1 2 392.455 4.268 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc3c(s2)CCCC3)C[C@@H](C)O1 ZINC000046341493 822463188 /nfs/dbraw/zinc/46/31/88/822463188.db2.gz YMEMQDURLWXRRU-HZPDHXFCSA-N 1 2 384.545 4.488 20 0 GIADLO CCN(CC)C(=O)c1ccc(NC(=O)NCc2c[nH+]c(C)cc2C)cc1Cl ZINC000454386966 822466908 /nfs/dbraw/zinc/46/69/08/822466908.db2.gz JAOWIEADVGVUSY-UHFFFAOYSA-N 1 2 388.899 4.156 20 0 GIADLO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000183406955 822469309 /nfs/dbraw/zinc/46/93/09/822469309.db2.gz ZEZQZNPAIYZAQZ-JTHBVZDNSA-N 1 2 390.483 4.068 20 0 GIADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1OCC(F)(F)F ZINC000046467805 822475661 /nfs/dbraw/zinc/47/56/61/822475661.db2.gz SELCWTZKRPNNAV-HNNXBMFYSA-N 1 2 384.402 4.061 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Br)cc1F ZINC000046469161 822475956 /nfs/dbraw/zinc/47/59/56/822475956.db2.gz YGJQEHAIKLPQLE-CQSZACIVSA-N 1 2 383.265 4.021 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3nnc(C(=O)Nc4ccccc4)s3)C2)c1 ZINC000183466653 822479213 /nfs/dbraw/zinc/47/92/13/822479213.db2.gz ZGHPPSVWIXAMAJ-KRWDZBQOSA-N 1 2 392.528 4.397 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3nnc(C(=O)Nc4ccccc4)s3)C2)c1 ZINC000183466653 822479214 /nfs/dbraw/zinc/47/92/14/822479214.db2.gz ZGHPPSVWIXAMAJ-KRWDZBQOSA-N 1 2 392.528 4.397 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(Cc2ccccc2)c1 ZINC000179444797 822483932 /nfs/dbraw/zinc/48/39/32/822483932.db2.gz KNPHQJCNRWDDPW-UHFFFAOYSA-N 1 2 376.504 4.009 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(Cc2ccccc2)c1 ZINC000179444797 822483934 /nfs/dbraw/zinc/48/39/34/822483934.db2.gz KNPHQJCNRWDDPW-UHFFFAOYSA-N 1 2 376.504 4.009 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@@H+]3CC[C@H](c4cc(C)cc(C)c4)C3)nc2c1 ZINC000183489294 822484388 /nfs/dbraw/zinc/48/43/88/822484388.db2.gz PUCGQHVJUWEQRU-KRWDZBQOSA-N 1 2 398.528 4.228 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@H+]3CC[C@H](c4cc(C)cc(C)c4)C3)nc2c1 ZINC000183489294 822484390 /nfs/dbraw/zinc/48/43/90/822484390.db2.gz PUCGQHVJUWEQRU-KRWDZBQOSA-N 1 2 398.528 4.228 20 0 GIADLO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccccn1 ZINC000179481778 822489066 /nfs/dbraw/zinc/48/90/66/822489066.db2.gz CGRBXXYEUJVLRR-QMHKHESXSA-N 1 2 375.472 4.489 20 0 GIADLO CC(C)OCc1c2ccccc2oc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617379 822493582 /nfs/dbraw/zinc/49/35/82/822493582.db2.gz LJUUGPXABCNFMO-UHFFFAOYSA-N 1 2 393.487 4.152 20 0 GIADLO O=C(CCCCc1nc2ccccc2s1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046619224 822493814 /nfs/dbraw/zinc/49/38/14/822493814.db2.gz AVDBMRPVHYFGPX-UHFFFAOYSA-N 1 2 394.544 4.189 20 0 GIADLO Cc1cccc([C@@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccn2)c1 ZINC000179533348 822498717 /nfs/dbraw/zinc/49/87/17/822498717.db2.gz LTJZXLTZQQYUCJ-VGOFRKELSA-N 1 2 380.513 4.234 20 0 GIADLO Cc1cccc([C@@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccn2)c1 ZINC000179533325 822498727 /nfs/dbraw/zinc/49/87/27/822498727.db2.gz LTJZXLTZQQYUCJ-HTAPYJJXSA-N 1 2 380.513 4.234 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000183594849 822498881 /nfs/dbraw/zinc/49/88/81/822498881.db2.gz MVRWQUUXWHWIFP-ZZDSUILFSA-N 1 2 376.469 4.401 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000183594849 822498884 /nfs/dbraw/zinc/49/88/84/822498884.db2.gz MVRWQUUXWHWIFP-ZZDSUILFSA-N 1 2 376.469 4.401 20 0 GIADLO Cc1c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cnn1CC(C)C ZINC000179546208 822500892 /nfs/dbraw/zinc/50/08/92/822500892.db2.gz OFXDEVZUNWARTP-UHFFFAOYSA-N 1 2 377.492 4.300 20 0 GIADLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cn(C)nc1CC ZINC000179566759 822504784 /nfs/dbraw/zinc/50/47/84/822504784.db2.gz LCAQEOQWVZJSLV-UHFFFAOYSA-N 1 2 383.323 4.140 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cn(C)nc1CC ZINC000179566759 822504787 /nfs/dbraw/zinc/50/47/87/822504787.db2.gz LCAQEOQWVZJSLV-UHFFFAOYSA-N 1 2 383.323 4.140 20 0 GIADLO O=C1CCCN1C[C@H]([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000179568107 822504916 /nfs/dbraw/zinc/50/49/16/822504916.db2.gz NVMLMMNYFQKWFW-FQEVSTJZSA-N 1 2 395.890 4.448 20 0 GIADLO Cc1ncsc1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000046724083 822509955 /nfs/dbraw/zinc/50/99/55/822509955.db2.gz JYQVQOHYRAWRGJ-QGZVFWFLSA-N 1 2 383.542 4.042 20 0 GIADLO Cc1ncsc1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000046724083 822509959 /nfs/dbraw/zinc/50/99/59/822509959.db2.gz JYQVQOHYRAWRGJ-QGZVFWFLSA-N 1 2 383.542 4.042 20 0 GIADLO COCCN(C(C)=O)c1nc(C[NH2+][C@H](c2ccccc2Cl)C(C)C)cs1 ZINC000183697165 822513231 /nfs/dbraw/zinc/51/32/31/822513231.db2.gz OTNMNNRQXZGPHZ-SFHVURJKSA-N 1 2 395.956 4.283 20 0 GIADLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3cc(OC)c(OC)cc3C)n2)ccc1C ZINC000179624352 822514823 /nfs/dbraw/zinc/51/48/23/822514823.db2.gz KUMSHBLDGCDZEA-HNNXBMFYSA-N 1 2 397.475 4.230 20 0 GIADLO CCOc1cc(C[N@H+](C)Cc2nnc(-c3ccccc3)o2)ccc1OC(F)F ZINC000046776940 822516050 /nfs/dbraw/zinc/51/60/50/822516050.db2.gz MFUZQJKGKBBIOE-UHFFFAOYSA-N 1 2 389.402 4.369 20 0 GIADLO CCOc1cc(C[N@@H+](C)Cc2nnc(-c3ccccc3)o2)ccc1OC(F)F ZINC000046776940 822516052 /nfs/dbraw/zinc/51/60/52/822516052.db2.gz MFUZQJKGKBBIOE-UHFFFAOYSA-N 1 2 389.402 4.369 20 0 GIADLO CCOc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1F ZINC000183733579 822518423 /nfs/dbraw/zinc/51/84/23/822518423.db2.gz ICIFISYJLNXKHO-AWEZNQCLSA-N 1 2 377.485 4.197 20 0 GIADLO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccnn1CC ZINC000179652883 822520536 /nfs/dbraw/zinc/52/05/36/822520536.db2.gz LOBMGNQUWQGVGW-AWEZNQCLSA-N 1 2 382.430 4.161 20 0 GIADLO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccnn1CC ZINC000179652883 822520540 /nfs/dbraw/zinc/52/05/40/822520540.db2.gz LOBMGNQUWQGVGW-AWEZNQCLSA-N 1 2 382.430 4.161 20 0 GIADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000179668302 822523465 /nfs/dbraw/zinc/52/34/65/822523465.db2.gz CMBWWMVCWQOVCX-INIZCTEOSA-N 1 2 387.281 4.175 20 0 GIADLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000179668302 822523466 /nfs/dbraw/zinc/52/34/66/822523466.db2.gz CMBWWMVCWQOVCX-INIZCTEOSA-N 1 2 387.281 4.175 20 0 GIADLO Cc1ccccc1CCN(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000454744592 822526960 /nfs/dbraw/zinc/52/69/60/822526960.db2.gz QIUPUSVIFABAFE-IBGZPJMESA-N 1 2 381.520 4.095 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@@H]1CCCc2c(F)cccc21 ZINC000454752640 822528388 /nfs/dbraw/zinc/52/83/88/822528388.db2.gz GDOHMMSWLBIIOM-LJQANCHMSA-N 1 2 394.450 4.300 20 0 GIADLO O=C(NCc1cc(C2CC2)ccc1F)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000454764714 822529957 /nfs/dbraw/zinc/52/99/57/822529957.db2.gz RBNHCAIRFNDDTR-UHFFFAOYSA-N 1 2 394.450 4.300 20 0 GIADLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046920556 822530978 /nfs/dbraw/zinc/53/09/78/822530978.db2.gz YEUVBPOEOWBKBV-HXUWFJFHSA-N 1 2 392.503 4.346 20 0 GIADLO COc1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1OC1CCCC1 ZINC000046944122 822533250 /nfs/dbraw/zinc/53/32/50/822533250.db2.gz KQRZMRVKCVXKME-UHFFFAOYSA-N 1 2 384.480 4.035 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccc(Cl)s2)C[C@H](C)O1 ZINC000046996317 822536251 /nfs/dbraw/zinc/53/62/51/822536251.db2.gz ZVCXKRTVCSTEHB-OKILXGFUSA-N 1 2 393.940 4.332 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccc(Cl)s2)C[C@H](C)O1 ZINC000046996317 822536253 /nfs/dbraw/zinc/53/62/53/822536253.db2.gz ZVCXKRTVCSTEHB-OKILXGFUSA-N 1 2 393.940 4.332 20 0 GIADLO CC[C@@H]([NH2+][C@H](C)c1ncc(C(C)(C)C)o1)c1ccccc1OCC(=O)N(C)C ZINC000179729600 822536905 /nfs/dbraw/zinc/53/69/05/822536905.db2.gz OTPYZYJGPKYTBE-NVXWUHKLSA-N 1 2 387.524 4.241 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NCC2CCCC2)cc1 ZINC000047014544 822537687 /nfs/dbraw/zinc/53/76/87/822537687.db2.gz JXSUNRYYFMLNJS-UHFFFAOYSA-N 1 2 384.524 4.074 20 0 GIADLO CSc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000047054876 822541238 /nfs/dbraw/zinc/54/12/38/822541238.db2.gz KYGYHXNNCNRGIE-OAHLLOKOSA-N 1 2 375.563 4.058 20 0 GIADLO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000179752367 822542852 /nfs/dbraw/zinc/54/28/52/822542852.db2.gz XCQRRDBOWIAMKZ-AEFFLSMTSA-N 1 2 391.309 4.115 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000179762430 822546051 /nfs/dbraw/zinc/54/60/51/822546051.db2.gz GFDWLTPHTUYELP-INIZCTEOSA-N 1 2 390.487 4.168 20 0 GIADLO COc1cc(C)c(Br)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000183935142 822550071 /nfs/dbraw/zinc/55/00/71/822550071.db2.gz ALVSSHWWSSCCRB-UHFFFAOYSA-N 1 2 386.249 4.204 20 0 GIADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)s1 ZINC000183981867 822557570 /nfs/dbraw/zinc/55/75/70/822557570.db2.gz QWBLYUUSSSPKQR-UHFFFAOYSA-N 1 2 397.548 4.026 20 0 GIADLO C[N@H+](Cc1ccc(C(F)F)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000183986557 822558469 /nfs/dbraw/zinc/55/84/69/822558469.db2.gz HEHAOPXDSFIUFI-OAHLLOKOSA-N 1 2 383.236 4.045 20 0 GIADLO C[N@@H+](Cc1ccc(C(F)F)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000183986557 822558470 /nfs/dbraw/zinc/55/84/70/822558470.db2.gz HEHAOPXDSFIUFI-OAHLLOKOSA-N 1 2 383.236 4.045 20 0 GIADLO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184028683 822567294 /nfs/dbraw/zinc/56/72/94/822567294.db2.gz AHNADKCBVHTEDU-UHFFFAOYSA-N 1 2 398.816 4.498 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000454993638 822567335 /nfs/dbraw/zinc/56/73/35/822567335.db2.gz OPFVNLRADJWORP-POAQFYNOSA-N 1 2 394.519 4.025 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000454993636 822567385 /nfs/dbraw/zinc/56/73/85/822567385.db2.gz OPFVNLRADJWORP-KPFFTGBYSA-N 1 2 394.519 4.025 20 0 GIADLO CC[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1c(C)noc1C ZINC000184048312 822570441 /nfs/dbraw/zinc/57/04/41/822570441.db2.gz ORJXOUOBTAALIK-MRXNPFEDSA-N 1 2 380.279 4.420 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000179884607 822571489 /nfs/dbraw/zinc/57/14/89/822571489.db2.gz XVPMXCDXZLBWDR-UHFFFAOYSA-N 1 2 382.504 4.329 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000179884607 822571491 /nfs/dbraw/zinc/57/14/91/822571491.db2.gz XVPMXCDXZLBWDR-UHFFFAOYSA-N 1 2 382.504 4.329 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccnc3C(F)(F)F)n2)C1 ZINC000179906381 822574571 /nfs/dbraw/zinc/57/45/71/822574571.db2.gz WRNQZHQKJAJXMF-LLVKDONJSA-N 1 2 384.427 4.041 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccnc3C(F)(F)F)n2)C1 ZINC000179906381 822574574 /nfs/dbraw/zinc/57/45/74/822574574.db2.gz WRNQZHQKJAJXMF-LLVKDONJSA-N 1 2 384.427 4.041 20 0 GIADLO COc1cc(F)cc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC000184084008 822575654 /nfs/dbraw/zinc/57/56/54/822575654.db2.gz KNSGESIBQARAJP-UHFFFAOYSA-N 1 2 381.238 4.012 20 0 GIADLO O=C(Nc1cccc(SC(F)F)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184100203 822578095 /nfs/dbraw/zinc/57/80/95/822578095.db2.gz WRTJZIWQBFIRJP-UHFFFAOYSA-N 1 2 378.448 4.141 20 0 GIADLO CCCN(CCc1cccs1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000184100090 822578153 /nfs/dbraw/zinc/57/81/53/822578153.db2.gz OPSJDEGIRNAQBO-UHFFFAOYSA-N 1 2 382.533 4.157 20 0 GIADLO Fc1cccc(F)c1-c1nc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)co1 ZINC000179928469 822578721 /nfs/dbraw/zinc/57/87/21/822578721.db2.gz ZRDZAOKHPGCXNM-UHFFFAOYSA-N 1 2 380.276 4.432 20 0 GIADLO FC(F)(F)c1nn(Cc2noc(-c3ccc(Cl)cc3)n2)c2cc[nH+]cc21 ZINC000179931895 822579301 /nfs/dbraw/zinc/57/93/01/822579301.db2.gz HEJSNUFHWZAQCP-UHFFFAOYSA-N 1 2 379.729 4.202 20 0 GIADLO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000179933491 822579865 /nfs/dbraw/zinc/57/98/65/822579865.db2.gz DMZULDKBYIOCCS-QWRGUYRKSA-N 1 2 395.818 4.074 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@@H]2CCCOc3cc(F)ccc32)nnn1-c1ccc(F)cc1 ZINC000179963153 822586525 /nfs/dbraw/zinc/58/65/25/822586525.db2.gz BSYVRNUUNNIWHD-ORAYPTAESA-N 1 2 384.430 4.418 20 0 GIADLO CC(C)COC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1Cl)c1ccco1 ZINC000184155526 822587220 /nfs/dbraw/zinc/58/72/20/822587220.db2.gz IVCYFWXFBGPQPQ-QAPCUYQASA-N 1 2 378.900 4.114 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000455107208 822589839 /nfs/dbraw/zinc/58/98/39/822589839.db2.gz KJGMXIZXSBXQBJ-LBPRGKRZSA-N 1 2 386.805 4.010 20 0 GIADLO O=S(=O)(/C=C/c1cccc(Cl)c1)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000184171808 822590277 /nfs/dbraw/zinc/59/02/77/822590277.db2.gz LFYHGKSZJUBZKI-BLRBJFNZSA-N 1 2 399.903 4.141 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184173722 822590780 /nfs/dbraw/zinc/59/07/80/822590780.db2.gz LXAXCMQUXILUAN-RHSMWYFYSA-N 1 2 394.899 4.272 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)n1 ZINC000184174913 822590827 /nfs/dbraw/zinc/59/08/27/822590827.db2.gz NIQTUUYHWXLGIL-DNVCBOLYSA-N 1 2 385.558 4.378 20 0 GIADLO CCCCOC1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000455114177 822590926 /nfs/dbraw/zinc/59/09/26/822590926.db2.gz ZTMSIIZWPMEBBN-UHFFFAOYSA-N 1 2 390.915 4.016 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCCc2ccccc2)C[C@H](C)O1 ZINC000047569897 822591783 /nfs/dbraw/zinc/59/17/83/822591783.db2.gz VAXOOQDVMLKCAT-PMACEKPBSA-N 1 2 395.547 4.392 20 0 GIADLO CC(C)COC[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccco1 ZINC000184197144 822594569 /nfs/dbraw/zinc/59/45/69/822594569.db2.gz XDCREJQJRCHKMY-FQEVSTJZSA-N 1 2 381.472 4.378 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000184200678 822595194 /nfs/dbraw/zinc/59/51/94/822595194.db2.gz KLKJEFFENQBLLP-LIRRHRJNSA-N 1 2 375.513 4.289 20 0 GIADLO CCO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)cs1 ZINC000180020630 822598119 /nfs/dbraw/zinc/59/81/19/822598119.db2.gz VQYRGTDHMKQWJP-OGHNNQOOSA-N 1 2 389.521 4.201 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCCCC1(F)F ZINC000455164505 822600356 /nfs/dbraw/zinc/60/03/56/822600356.db2.gz JZYLTRPJIGAURB-GOSISDBHSA-N 1 2 394.510 4.155 20 0 GIADLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc(C(F)(F)F)cs3)ccc2NC1=O ZINC000180029217 822600606 /nfs/dbraw/zinc/60/06/06/822600606.db2.gz RLBZRIMJODXJIR-BXKDBHETSA-N 1 2 385.411 4.122 20 0 GIADLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nc(C(F)(F)F)cs3)ccc2NC1=O ZINC000180029254 822600686 /nfs/dbraw/zinc/60/06/86/822600686.db2.gz RLBZRIMJODXJIR-JOYOIKCWSA-N 1 2 385.411 4.122 20 0 GIADLO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797159 822609491 /nfs/dbraw/zinc/60/94/91/822609491.db2.gz DBXYYEPLERVYHM-MRXNPFEDSA-N 1 2 394.506 4.191 20 0 GIADLO Cc1nc(COc2ccc(CNc3[nH+]c4cccc(Cl)c4n3C)cc2)no1 ZINC000184310827 822612695 /nfs/dbraw/zinc/61/26/95/822612695.db2.gz QKFLBFUXLDRYIP-UHFFFAOYSA-N 1 2 383.839 4.109 20 0 GIADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000180101511 822615408 /nfs/dbraw/zinc/61/54/08/822615408.db2.gz VKMOZSXOLSEEHV-UHFFFAOYSA-N 1 2 379.785 4.094 20 0 GIADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000180101511 822615411 /nfs/dbraw/zinc/61/54/11/822615411.db2.gz VKMOZSXOLSEEHV-UHFFFAOYSA-N 1 2 379.785 4.094 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911259 822618843 /nfs/dbraw/zinc/61/88/43/822618843.db2.gz DUNMFTGGVBORHM-PXNSSMCTSA-N 1 2 393.314 4.139 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911259 822618846 /nfs/dbraw/zinc/61/88/46/822618846.db2.gz DUNMFTGGVBORHM-PXNSSMCTSA-N 1 2 393.314 4.139 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc(C)c3)no2)cc1OC ZINC000048056651 822627759 /nfs/dbraw/zinc/62/77/59/822627759.db2.gz QQOKKXZXAVIHQR-SFHVURJKSA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc(C)c3)no2)cc1OC ZINC000048056651 822627761 /nfs/dbraw/zinc/62/77/61/822627761.db2.gz QQOKKXZXAVIHQR-SFHVURJKSA-N 1 2 379.460 4.399 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000184400970 822628593 /nfs/dbraw/zinc/62/85/93/822628593.db2.gz FBDFPBYWFUMVNU-SMDDNHRTSA-N 1 2 384.814 4.253 20 0 GIADLO COc1ccc2nc(Cl)c(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2c1 ZINC000180161621 822629845 /nfs/dbraw/zinc/62/98/45/822629845.db2.gz FAOOUEWJODEVLG-UHFFFAOYSA-N 1 2 378.819 4.335 20 0 GIADLO C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1nc(C(C)(C)C)cs1 ZINC000184452323 822637641 /nfs/dbraw/zinc/63/76/41/822637641.db2.gz ADDNGTUARCFHFB-LBPRGKRZSA-N 1 2 388.562 4.364 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1nc(C(C)(C)C)cs1 ZINC000184451313 822637717 /nfs/dbraw/zinc/63/77/17/822637717.db2.gz TXYJKQXDMHSJCZ-SNVBAGLBSA-N 1 2 375.523 4.456 20 0 GIADLO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184463236 822640229 /nfs/dbraw/zinc/64/02/29/822640229.db2.gz XVXHUYAUZVLXLQ-AWEZNQCLSA-N 1 2 377.529 4.279 20 0 GIADLO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1nc2ccc(Cl)cc2n1C ZINC000180211475 822640280 /nfs/dbraw/zinc/64/02/80/822640280.db2.gz ZDUOBFHWKRACFO-NSHDSACASA-N 1 2 380.826 4.116 20 0 GIADLO O=S1(=O)CCC[C@@H]([NH2+][C@H](c2ccccc2)c2cc(Cl)ccc2Cl)C1 ZINC000184465807 822640821 /nfs/dbraw/zinc/64/08/21/822640821.db2.gz UJSDOTSPOPMGGM-CRAIPNDOSA-N 1 2 384.328 4.250 20 0 GIADLO Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c1C ZINC000184469165 822641493 /nfs/dbraw/zinc/64/14/93/822641493.db2.gz GQOPRCSBBAHMRT-AWEZNQCLSA-N 1 2 388.537 4.056 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c(OC)c1 ZINC000184473413 822642026 /nfs/dbraw/zinc/64/20/26/822642026.db2.gz BUWAPCOJVKKEBS-STQMWFEESA-N 1 2 391.537 4.136 20 0 GIADLO CCCOc1ccc(CNC(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184476856 822642612 /nfs/dbraw/zinc/64/26/12/822642612.db2.gz SOMFFHLXFTXVGR-HNNXBMFYSA-N 1 2 389.565 4.196 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1nc(C(C)(C)C)cs1 ZINC000184494153 822645288 /nfs/dbraw/zinc/64/52/88/822645288.db2.gz KWUQOFVGHQUGDL-NSHDSACASA-N 1 2 383.464 4.331 20 0 GIADLO COc1ccc(NC(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1Cl ZINC000184507316 822647177 /nfs/dbraw/zinc/64/71/77/822647177.db2.gz KMKDNHDMYQYYBF-LLVKDONJSA-N 1 2 381.929 4.392 20 0 GIADLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1Cl ZINC000184507300 822647187 /nfs/dbraw/zinc/64/71/87/822647187.db2.gz KMKDNHDMYQYYBF-NSHDSACASA-N 1 2 381.929 4.392 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1nc(-c2ccccc2)cs1 ZINC000184530238 822651862 /nfs/dbraw/zinc/65/18/62/822651862.db2.gz IGNSRYDBCCDQHT-CYBMUJFWSA-N 1 2 384.505 4.385 20 0 GIADLO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000184534830 822652734 /nfs/dbraw/zinc/65/27/34/822652734.db2.gz AXVGSGAZBWIPCQ-CQSZACIVSA-N 1 2 379.485 4.302 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cn(C)nc3-c3ccccc3)n2)C1 ZINC000180308931 822661113 /nfs/dbraw/zinc/66/11/13/822661113.db2.gz XWPXUPCUUWQXFD-HNNXBMFYSA-N 1 2 395.532 4.028 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cn(C)nc3-c3ccccc3)n2)C1 ZINC000180308931 822661114 /nfs/dbraw/zinc/66/11/14/822661114.db2.gz XWPXUPCUUWQXFD-HNNXBMFYSA-N 1 2 395.532 4.028 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455471006 822661142 /nfs/dbraw/zinc/66/11/42/822661142.db2.gz BGNPEZCOYDGNCG-NSHDSACASA-N 1 2 383.418 4.265 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H]2CCOc3ccc(Br)cc32)c(C)[nH+]1 ZINC000455475047 822661681 /nfs/dbraw/zinc/66/16/81/822661681.db2.gz KNLDWQVBXXLWLK-HNNXBMFYSA-N 1 2 390.281 4.415 20 0 GIADLO Cn1cc([C@H]([NH2+]CC(=O)Nc2cccc3ccccc32)c2ccc(F)cc2)cn1 ZINC000184599452 822663752 /nfs/dbraw/zinc/66/37/52/822663752.db2.gz DFFTXTULBMWAHW-HSZRJFAPSA-N 1 2 388.446 4.030 20 0 GIADLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2nc3oc(C)c(C)c3c(N)n2)cc1OC ZINC000180334802 822665221 /nfs/dbraw/zinc/66/52/21/822665221.db2.gz JIYPSTJYUCFTEQ-CQSZACIVSA-N 1 2 398.507 4.460 20 0 GIADLO COc1cc(NC(=O)Nc2c(C)cc(C)[nH+]c2C)cc(OC)c1Br ZINC000455492777 822665322 /nfs/dbraw/zinc/66/53/22/822665322.db2.gz LKJZHCFSMLEMEZ-UHFFFAOYSA-N 1 2 394.269 4.431 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H](CCO)c2ccccc2Br)c(C)[nH+]1 ZINC000455500617 822666717 /nfs/dbraw/zinc/66/67/17/822666717.db2.gz TXMADFSWOXNMOW-MRXNPFEDSA-N 1 2 392.297 4.015 20 0 GIADLO CSc1ccc([C@@H](C)NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000048508026 822668567 /nfs/dbraw/zinc/66/85/67/822668567.db2.gz ILBNKMSSWSEHFB-QGZVFWFLSA-N 1 2 394.544 4.256 20 0 GIADLO CCc1cc2oc(=O)cc(C[NH2+][C@@H](COC)c3ccc(C)o3)c2cc1Cl ZINC000184644906 822670401 /nfs/dbraw/zinc/67/04/01/822670401.db2.gz IFNHOALYKFESOL-KRWDZBQOSA-N 1 2 375.852 4.388 20 0 GIADLO CCOc1cc(CN(C)C(=O)NCc2c[nH+]c(C)cc2C)ccc1OC(F)F ZINC000455559772 822674653 /nfs/dbraw/zinc/67/46/53/822674653.db2.gz ONRLJQFZFWVCPJ-UHFFFAOYSA-N 1 2 393.434 4.040 20 0 GIADLO COc1ccc2[nH]cc(C3CCN(C(=O)NCc4c[nH+]c(C)cc4C)CC3)c2c1 ZINC000455566511 822675722 /nfs/dbraw/zinc/67/57/22/822675722.db2.gz YFNYRUOWGIVADG-UHFFFAOYSA-N 1 2 392.503 4.278 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455567771 822675890 /nfs/dbraw/zinc/67/58/90/822675890.db2.gz PDKNNMHNYVBYBD-UHFFFAOYSA-N 1 2 392.425 4.269 20 0 GIADLO COCC[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1cccc(C(F)(F)F)c1 ZINC000455570394 822676364 /nfs/dbraw/zinc/67/63/64/822676364.db2.gz MBZCFLDSOLNDJW-GOSISDBHSA-N 1 2 395.425 4.294 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180405166 822676420 /nfs/dbraw/zinc/67/64/20/822676420.db2.gz ORJPKNSRIFQIJU-BKTGTZMESA-N 1 2 390.890 4.070 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180405166 822676424 /nfs/dbraw/zinc/67/64/24/822676424.db2.gz ORJPKNSRIFQIJU-BKTGTZMESA-N 1 2 390.890 4.070 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c[nH+]1 ZINC000455574184 822677033 /nfs/dbraw/zinc/67/70/33/822677033.db2.gz QKNCSYGGVCOFFE-SFHVURJKSA-N 1 2 393.409 4.000 20 0 GIADLO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180424369 822679259 /nfs/dbraw/zinc/67/92/59/822679259.db2.gz LQZFFLIMYYSKOC-UHFFFAOYSA-N 1 2 382.485 4.482 20 0 GIADLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180424369 822679261 /nfs/dbraw/zinc/67/92/61/822679261.db2.gz LQZFFLIMYYSKOC-UHFFFAOYSA-N 1 2 382.485 4.482 20 0 GIADLO c1csc(-c2nnc(SCCCn3cc[nH+]c3)n2Cc2ccccc2)c1 ZINC000180426344 822679751 /nfs/dbraw/zinc/67/97/51/822679751.db2.gz NSESIULYVWUJNV-UHFFFAOYSA-N 1 2 381.530 4.434 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cs1 ZINC000184714048 822680838 /nfs/dbraw/zinc/68/08/38/822680838.db2.gz IKWKUTFHWGYMEF-HNNXBMFYSA-N 1 2 397.544 4.177 20 0 GIADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cs1 ZINC000184730082 822683445 /nfs/dbraw/zinc/68/34/45/822683445.db2.gz JZBZOFPVVJAQIR-NKWVEPMBSA-N 1 2 393.381 4.079 20 0 GIADLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180447068 822683813 /nfs/dbraw/zinc/68/38/13/822683813.db2.gz RFWQGNSUCORQHQ-OAQYLSRUSA-N 1 2 393.399 4.391 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3CSC)CC2)cc1 ZINC000184740361 822684683 /nfs/dbraw/zinc/68/46/83/822684683.db2.gz JSYPNNSIPFGPST-UHFFFAOYSA-N 1 2 399.560 4.298 20 0 GIADLO COC[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccc(C)o1 ZINC000184748855 822685586 /nfs/dbraw/zinc/68/55/86/822685586.db2.gz CRHZHZOPNMRUOK-CYBMUJFWSA-N 1 2 390.224 4.429 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cs1 ZINC000184747769 822685605 /nfs/dbraw/zinc/68/56/05/822685605.db2.gz MTCADJQPCXXXSM-CQSZACIVSA-N 1 2 397.548 4.106 20 0 GIADLO CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180481041 822688978 /nfs/dbraw/zinc/68/89/78/822688978.db2.gz CIHJWQBIFNYZSM-GOSISDBHSA-N 1 2 378.480 4.024 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000184795303 822692065 /nfs/dbraw/zinc/69/20/65/822692065.db2.gz QPJRAJQWKWXKFX-ABAIWWIYSA-N 1 2 385.291 4.453 20 0 GIADLO CCC(CC)n1nc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1C ZINC000180510911 822694177 /nfs/dbraw/zinc/69/41/77/822694177.db2.gz OIUIZKDXADMKIG-SFHVURJKSA-N 1 2 398.551 4.080 20 0 GIADLO Cc1cccc(C[NH+](Cc2cn(C)nc2-c2ccncc2)Cc2cccc(C)n2)n1 ZINC000180523110 822695770 /nfs/dbraw/zinc/69/57/70/822695770.db2.gz SQBAJGPGRBGALA-UHFFFAOYSA-N 1 2 398.514 4.091 20 0 GIADLO Fc1ccc(-c2cn(C[N@@H+]3CCSC4(CCOCC4)C3)c(=S)o2)cc1 ZINC000184830701 822696682 /nfs/dbraw/zinc/69/66/82/822696682.db2.gz NJTTWJGQLDXEJA-UHFFFAOYSA-N 1 2 380.510 4.172 20 0 GIADLO Fc1ccc(-c2cn(C[N@H+]3CCSC4(CCOCC4)C3)c(=S)o2)cc1 ZINC000184830701 822696684 /nfs/dbraw/zinc/69/66/84/822696684.db2.gz NJTTWJGQLDXEJA-UHFFFAOYSA-N 1 2 380.510 4.172 20 0 GIADLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184855921 822701246 /nfs/dbraw/zinc/70/12/46/822701246.db2.gz KBOKXFBQWFWWIN-BBWFWOEESA-N 1 2 393.487 4.267 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2ccc(SC(F)F)cc2)o1 ZINC000184861568 822702158 /nfs/dbraw/zinc/70/21/58/822702158.db2.gz NKJKJKIGYKFNFD-OAHLLOKOSA-N 1 2 384.448 4.073 20 0 GIADLO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)C2CC2)o1 ZINC000184865064 822703021 /nfs/dbraw/zinc/70/30/21/822703021.db2.gz RPLSKCDVPFEAPS-INIZCTEOSA-N 1 2 379.460 4.085 20 0 GIADLO Cc1ccc(F)c(Br)c1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000455695260 822704562 /nfs/dbraw/zinc/70/45/62/822704562.db2.gz NEPDGNUQTDWUSZ-LBPRGKRZSA-N 1 2 395.276 4.042 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1ncc(-c2ccccc2)o1 ZINC000184879786 822706213 /nfs/dbraw/zinc/70/62/13/822706213.db2.gz IMUMUZRNEMARBI-CABCVRRESA-N 1 2 381.501 4.027 20 0 GIADLO CN(c1ccccc1)c1ccccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000049766968 822708215 /nfs/dbraw/zinc/70/82/15/822708215.db2.gz UYFWFGVHRPLEEO-UHFFFAOYSA-N 1 2 386.499 4.248 20 0 GIADLO Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1C ZINC000184892503 822708526 /nfs/dbraw/zinc/70/85/26/822708526.db2.gz KXNJTXCFYVOGMM-MSOLQXFVSA-N 1 2 377.488 4.486 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184896659 822709371 /nfs/dbraw/zinc/70/93/71/822709371.db2.gz LHOJDFRKQDFVKJ-JKSUJKDBSA-N 1 2 379.460 4.336 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184898611 822709544 /nfs/dbraw/zinc/70/95/44/822709544.db2.gz HPXGVAYZMRMCKA-GJZGRUSLSA-N 1 2 395.459 4.037 20 0 GIADLO O=C(Nc1ccccc1OCCF)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000455717935 822712443 /nfs/dbraw/zinc/71/24/43/822712443.db2.gz ARXYJQQEDOQYNS-CTNGQTDRSA-N 1 2 394.450 4.282 20 0 GIADLO Cn1ccnc1[C@H](NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1Cl ZINC000180620408 822713966 /nfs/dbraw/zinc/71/39/66/822713966.db2.gz HTCFKKYWBLJIPX-HXUWFJFHSA-N 1 2 395.869 4.278 20 0 GIADLO Cn1ccnc1[C@H](NCc1ccccc1-n1cc[nH+]c1)c1ccccc1Cl ZINC000180620022 822714096 /nfs/dbraw/zinc/71/40/96/822714096.db2.gz QLGPALMAMDBGRT-HXUWFJFHSA-N 1 2 377.879 4.138 20 0 GIADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000184981332 822721420 /nfs/dbraw/zinc/72/14/20/822721420.db2.gz QVSJGNOQRDJYSR-QAPCUYQASA-N 1 2 383.521 4.195 20 0 GIADLO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000184981332 822721422 /nfs/dbraw/zinc/72/14/22/822721422.db2.gz QVSJGNOQRDJYSR-QAPCUYQASA-N 1 2 383.521 4.195 20 0 GIADLO O=C(C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ccccc1Cl ZINC000050231439 822721969 /nfs/dbraw/zinc/72/19/69/822721969.db2.gz LHPWBCHDBWDEMY-KRWDZBQOSA-N 1 2 376.859 4.099 20 0 GIADLO O=C(C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ccccc1Cl ZINC000050231439 822721972 /nfs/dbraw/zinc/72/19/72/822721972.db2.gz LHPWBCHDBWDEMY-KRWDZBQOSA-N 1 2 376.859 4.099 20 0 GIADLO COCCOc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000185012392 822725008 /nfs/dbraw/zinc/72/50/08/822725008.db2.gz NCNHKDBXKKBHGA-GFCCVEGCSA-N 1 2 398.272 4.170 20 0 GIADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)s1 ZINC000185026513 822726868 /nfs/dbraw/zinc/72/68/68/822726868.db2.gz WNYOFKCCHPFVHZ-USWWRNFRSA-N 1 2 388.562 4.286 20 0 GIADLO CC[C@@H](C)n1c2ccc(NC(=O)NCCn3cc[nH+]c3)cc2nc1C(F)(F)F ZINC000455801590 822728856 /nfs/dbraw/zinc/72/88/56/822728856.db2.gz UWZUOCFIZIFMJP-GFCCVEGCSA-N 1 2 394.401 4.044 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1C ZINC000050448519 822729662 /nfs/dbraw/zinc/72/96/62/822729662.db2.gz FVRNYDMRTCXKJH-UHFFFAOYSA-N 1 2 399.878 4.264 20 0 GIADLO CCC(CC)(C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(OC)c(OC)c1 ZINC000185124740 822740135 /nfs/dbraw/zinc/74/01/35/822740135.db2.gz YDEWDICXOTWTSX-HKUYNNGSSA-N 1 2 399.535 4.068 20 0 GIADLO C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cc(Br)cc(F)c1O ZINC000185151988 822743339 /nfs/dbraw/zinc/74/33/39/822743339.db2.gz MUPMZFKWLKRPOW-NSHDSACASA-N 1 2 392.272 4.454 20 0 GIADLO Cc1nc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)sc1Cc1ccccc1Cl ZINC000455937793 822753298 /nfs/dbraw/zinc/75/32/98/822753298.db2.gz VBZYTGHVZRXBCK-LBPRGKRZSA-N 1 2 389.912 4.102 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1C ZINC000051333989 822756531 /nfs/dbraw/zinc/75/65/31/822756531.db2.gz YOUYMUIZJCHZGN-AWEZNQCLSA-N 1 2 384.505 4.219 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c1C ZINC000051334447 822756536 /nfs/dbraw/zinc/75/65/36/822756536.db2.gz VHPSKLHUQDHIEP-UHFFFAOYSA-N 1 2 392.503 4.278 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2ccccc2C(F)(F)F)c1C ZINC000051335101 822756683 /nfs/dbraw/zinc/75/66/83/822756683.db2.gz ZRZDIBCHIKVEMP-UHFFFAOYSA-N 1 2 381.398 4.067 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Br)cc1Cl ZINC000051376784 822758037 /nfs/dbraw/zinc/75/80/37/822758037.db2.gz RNUIGJSFJRXKBG-UHFFFAOYSA-N 1 2 394.700 4.028 20 0 GIADLO C[C@@H](c1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1)C(F)(F)F ZINC000455993951 822763285 /nfs/dbraw/zinc/76/32/85/822763285.db2.gz VGJZBIYBNNLAIW-LSDHHAIUSA-N 1 2 379.426 4.181 20 0 GIADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000051531381 822764490 /nfs/dbraw/zinc/76/44/90/822764490.db2.gz OBXDURPJEBELJJ-VLIAUNLRSA-N 1 2 390.886 4.252 20 0 GIADLO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000456036788 822769412 /nfs/dbraw/zinc/76/94/12/822769412.db2.gz XNLUSMQDDMGOHS-VQTJNVASSA-N 1 2 383.923 4.383 20 0 GIADLO CC(C)OCc1ccc(CNC(=O)C[N@H+](C)Cc2ccc(Cl)s2)cc1 ZINC000051679797 822773532 /nfs/dbraw/zinc/77/35/32/822773532.db2.gz MRAVNJLBEYHHEN-UHFFFAOYSA-N 1 2 380.941 4.075 20 0 GIADLO CC(C)OCc1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)cc1 ZINC000051679797 822773536 /nfs/dbraw/zinc/77/35/36/822773536.db2.gz MRAVNJLBEYHHEN-UHFFFAOYSA-N 1 2 380.941 4.075 20 0 GIADLO CCOc1cc(C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])ccc1OC(F)F ZINC000051706474 822775221 /nfs/dbraw/zinc/77/52/21/822775221.db2.gz VSYTYEXLUOLLLC-UHFFFAOYSA-N 1 2 384.354 4.366 20 0 GIADLO CCOc1cc(C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])ccc1OC(F)F ZINC000051706474 822775224 /nfs/dbraw/zinc/77/52/24/822775224.db2.gz VSYTYEXLUOLLLC-UHFFFAOYSA-N 1 2 384.354 4.366 20 0 GIADLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174344208 822775704 /nfs/dbraw/zinc/77/57/04/822775704.db2.gz SRJCBPBWPKHLJO-KRWDZBQOSA-N 1 2 375.476 4.053 20 0 GIADLO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185414658 822780876 /nfs/dbraw/zinc/78/08/76/822780876.db2.gz UOIBFUHNMUCQLZ-ZHRRBRCNSA-N 1 2 394.494 4.389 20 0 GIADLO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000185437165 822783630 /nfs/dbraw/zinc/78/36/30/822783630.db2.gz DLLLRZZAWPHRMS-UHFFFAOYSA-N 1 2 392.503 4.370 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)c1ccc(NC(N)=O)cc1 ZINC000185445919 822784971 /nfs/dbraw/zinc/78/49/71/822784971.db2.gz VHNNQRUHCBWZEQ-NXEZZACHSA-N 1 2 396.260 4.196 20 0 GIADLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185516734 822792634 /nfs/dbraw/zinc/79/26/34/822792634.db2.gz SERSPYGKMXVQGX-MRXNPFEDSA-N 1 2 397.906 4.358 20 0 GIADLO COc1ccccc1C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C1CC1 ZINC000052183623 822792642 /nfs/dbraw/zinc/79/26/42/822792642.db2.gz AZHFMXFGNKQIST-UHFFFAOYSA-N 1 2 378.394 4.317 20 0 GIADLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C1CC1 ZINC000052183623 822792645 /nfs/dbraw/zinc/79/26/45/822792645.db2.gz AZHFMXFGNKQIST-UHFFFAOYSA-N 1 2 378.394 4.317 20 0 GIADLO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(Br)cc(F)c1O ZINC000185525824 822793407 /nfs/dbraw/zinc/79/34/07/822793407.db2.gz YRGTYJYCTYUSSR-OCCSQVGLSA-N 1 2 382.273 4.111 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc(Oc2ccccn2)c1 ZINC000174501676 822797603 /nfs/dbraw/zinc/79/76/03/822797603.db2.gz GARUPZCACPADRI-UHFFFAOYSA-N 1 2 389.459 4.191 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cccc(Oc2ccccn2)c1 ZINC000174510025 822799035 /nfs/dbraw/zinc/79/90/35/822799035.db2.gz APLDNMHSHDGXMD-UHFFFAOYSA-N 1 2 399.454 4.440 20 0 GIADLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)c1 ZINC000174512624 822799277 /nfs/dbraw/zinc/79/92/77/822799277.db2.gz UIJPAIFPENZDQN-YLJYHZDGSA-N 1 2 397.519 4.173 20 0 GIADLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)c1 ZINC000174512624 822799279 /nfs/dbraw/zinc/79/92/79/822799279.db2.gz UIJPAIFPENZDQN-YLJYHZDGSA-N 1 2 397.519 4.173 20 0 GIADLO COc1cc([C@@H](C)Nc2[nH+]cnc3c2cnn3C)ccc1OCc1ccccc1 ZINC000052472961 822801024 /nfs/dbraw/zinc/80/10/24/822801024.db2.gz BJHAAVARPNRNDN-OAHLLOKOSA-N 1 2 389.459 4.124 20 0 GIADLO Cc1ccc(-c2ncc(C[NH+]3CCN([C@H](C)c4nccs4)CC3)s2)cc1 ZINC000185609795 822801792 /nfs/dbraw/zinc/80/17/92/822801792.db2.gz XXFLAWWMVQKKMS-MRXNPFEDSA-N 1 2 384.574 4.454 20 0 GIADLO O=C(CCCOc1ccc(Cl)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000052560311 822803726 /nfs/dbraw/zinc/80/37/26/822803726.db2.gz XRQSUCPCMFVBMF-UHFFFAOYSA-N 1 2 383.879 4.060 20 0 GIADLO C[C@H](CNC(=O)CCCCC(=O)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000052586352 822804518 /nfs/dbraw/zinc/80/45/18/822804518.db2.gz MZVBINSIXPCFHQ-QGZVFWFLSA-N 1 2 384.545 4.054 20 0 GIADLO C[C@H](CNC(=O)CCCCC(=O)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000052586352 822804522 /nfs/dbraw/zinc/80/45/22/822804522.db2.gz MZVBINSIXPCFHQ-QGZVFWFLSA-N 1 2 384.545 4.054 20 0 GIADLO COc1ccc(OC)c([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000174566087 822805742 /nfs/dbraw/zinc/80/57/42/822805742.db2.gz OGQLJXMOUZBNJS-JKSUJKDBSA-N 1 2 394.475 4.011 20 0 GIADLO Fc1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c2c(c1)COCO2 ZINC000052636135 822805813 /nfs/dbraw/zinc/80/58/13/822805813.db2.gz UKFGVYUMSBGOLK-UHFFFAOYSA-N 1 2 396.384 4.033 20 0 GIADLO CCc1ccccc1NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638528 822805970 /nfs/dbraw/zinc/80/59/70/822805970.db2.gz XGWNCWVOWQINHJ-AZUAARDMSA-N 1 2 393.314 4.084 20 0 GIADLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638528 822805974 /nfs/dbraw/zinc/80/59/74/822805974.db2.gz XGWNCWVOWQINHJ-AZUAARDMSA-N 1 2 393.314 4.084 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)cc1OC ZINC000052661412 822806774 /nfs/dbraw/zinc/80/67/74/822806774.db2.gz JKGKDWBWFSWHKQ-VFNWGFHPSA-N 1 2 380.444 4.003 20 0 GIADLO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000174595604 822809722 /nfs/dbraw/zinc/80/97/22/822809722.db2.gz RILXZFNZOSXLRG-QGZVFWFLSA-N 1 2 384.487 4.302 20 0 GIADLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000174595604 822809725 /nfs/dbraw/zinc/80/97/25/822809725.db2.gz RILXZFNZOSXLRG-QGZVFWFLSA-N 1 2 384.487 4.302 20 0 GIADLO Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(C)n1 ZINC000052821994 822812095 /nfs/dbraw/zinc/81/20/95/822812095.db2.gz QEQJBDJRHHLRDL-SFHVURJKSA-N 1 2 375.875 4.058 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cccc4cccnc43)CC2)cc1 ZINC000174613334 822812493 /nfs/dbraw/zinc/81/24/93/822812493.db2.gz CEBAFJVEYVEMPL-UHFFFAOYSA-N 1 2 389.503 4.091 20 0 GIADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847887 822812689 /nfs/dbraw/zinc/81/26/89/822812689.db2.gz YPODTEGSLJWRRG-VIFPVBQESA-N 1 2 388.718 4.018 20 0 GIADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847887 822812692 /nfs/dbraw/zinc/81/26/92/822812692.db2.gz YPODTEGSLJWRRG-VIFPVBQESA-N 1 2 388.718 4.018 20 0 GIADLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC000052872751 822813737 /nfs/dbraw/zinc/81/37/37/822813737.db2.gz UPLDNNSCEDOMJB-HNNXBMFYSA-N 1 2 386.442 4.195 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1O ZINC000174625047 822814115 /nfs/dbraw/zinc/81/41/15/822814115.db2.gz IWSXNKGJWLIZMQ-NSHDSACASA-N 1 2 383.275 4.167 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1O ZINC000174625047 822814120 /nfs/dbraw/zinc/81/41/20/822814120.db2.gz IWSXNKGJWLIZMQ-NSHDSACASA-N 1 2 383.275 4.167 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)C[C@H](C)O1 ZINC000174652659 822818208 /nfs/dbraw/zinc/81/82/08/822818208.db2.gz GDJLYHSUTRIVOW-SNMCCPJMSA-N 1 2 390.527 4.138 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)C[C@H](C)O1 ZINC000174652659 822818212 /nfs/dbraw/zinc/81/82/12/822818212.db2.gz GDJLYHSUTRIVOW-SNMCCPJMSA-N 1 2 390.527 4.138 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)C[C@@H](C)O1 ZINC000174652682 822818232 /nfs/dbraw/zinc/81/82/32/822818232.db2.gz GDJLYHSUTRIVOW-DPCXZWJJSA-N 1 2 390.527 4.138 20 0 GIADLO c1cc(-c2ccccc2)sc1C[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000185757522 822818283 /nfs/dbraw/zinc/81/82/83/822818283.db2.gz GWVZSSATWKPZHZ-UHFFFAOYSA-N 1 2 376.485 4.402 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(SC)c(OC)c3)n2)c1 ZINC000174656651 822819192 /nfs/dbraw/zinc/81/91/92/822819192.db2.gz YFFFRHURHODXLM-CYBMUJFWSA-N 1 2 385.489 4.327 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174664277 822820513 /nfs/dbraw/zinc/82/05/13/822820513.db2.gz OUWCCEVRQWLGFK-MGPUTAFESA-N 1 2 397.450 4.284 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174665332 822820780 /nfs/dbraw/zinc/82/07/80/822820780.db2.gz HSHPXAPQSYEOHL-GFCCVEGCSA-N 1 2 377.366 4.370 20 0 GIADLO C[C@@H](c1nnc(SCC2(O)CCC(C)CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000174668815 822821090 /nfs/dbraw/zinc/82/10/90/822821090.db2.gz QRYXZAJZCZUISZ-CHWWFWEZSA-N 1 2 392.544 4.062 20 0 GIADLO Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H](C)CO2)c1 ZINC000174709002 822826594 /nfs/dbraw/zinc/82/65/94/822826594.db2.gz MRSYNXCQVYNIQR-PGRDOPGGSA-N 1 2 375.472 4.091 20 0 GIADLO COCC1=CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000185871717 822828962 /nfs/dbraw/zinc/82/89/62/822828962.db2.gz GUGHUEMDUGCVCA-KRWDZBQOSA-N 1 2 382.529 4.443 20 0 GIADLO COCC1=CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000185871717 822828963 /nfs/dbraw/zinc/82/89/63/822828963.db2.gz GUGHUEMDUGCVCA-KRWDZBQOSA-N 1 2 382.529 4.443 20 0 GIADLO CC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000174736243 822830348 /nfs/dbraw/zinc/83/03/48/822830348.db2.gz CHXMVRQAZNTQGU-HXUWFJFHSA-N 1 2 385.895 4.292 20 0 GIADLO CC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000174736243 822830351 /nfs/dbraw/zinc/83/03/51/822830351.db2.gz CHXMVRQAZNTQGU-HXUWFJFHSA-N 1 2 385.895 4.292 20 0 GIADLO Cc1c(O)ccc2c(C[N@@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)cc(=O)oc12 ZINC000053369436 822832018 /nfs/dbraw/zinc/83/20/18/822832018.db2.gz CDEGWBIWTIHQQL-IBGZPJMESA-N 1 2 385.847 4.034 20 0 GIADLO Cc1c(O)ccc2c(C[N@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)cc(=O)oc12 ZINC000053369436 822832020 /nfs/dbraw/zinc/83/20/20/822832020.db2.gz CDEGWBIWTIHQQL-IBGZPJMESA-N 1 2 385.847 4.034 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000174750513 822832302 /nfs/dbraw/zinc/83/23/02/822832302.db2.gz QYUZHCQMCNNJFA-UHFFFAOYSA-N 1 2 376.243 4.481 20 0 GIADLO COc1ccc2c(c1)C=C(S(=O)(=O)Nc1cccc3c1C[N@@H+](C(C)C)C3)CC2 ZINC000185921313 822833762 /nfs/dbraw/zinc/83/37/62/822833762.db2.gz DKLQIKDKRLLKDL-UHFFFAOYSA-N 1 2 398.528 4.148 20 0 GIADLO COc1ccc2c(c1)C=C(S(=O)(=O)Nc1cccc3c1C[N@H+](C(C)C)C3)CC2 ZINC000185921313 822833765 /nfs/dbraw/zinc/83/37/65/822833765.db2.gz DKLQIKDKRLLKDL-UHFFFAOYSA-N 1 2 398.528 4.148 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185942540 822835878 /nfs/dbraw/zinc/83/58/78/822835878.db2.gz QRQVXMIPNVUPIE-CYBMUJFWSA-N 1 2 377.476 4.289 20 0 GIADLO Cc1cc(Cc2cnc(NCc3c[nH+]cn3C)s2)ccc1Br ZINC000185952848 822836644 /nfs/dbraw/zinc/83/66/44/822836644.db2.gz ZJSGWFDFUDAOOI-UHFFFAOYSA-N 1 2 377.311 4.150 20 0 GIADLO COc1cccc(Cl)c1-c1noc(C)c1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456839384 822836970 /nfs/dbraw/zinc/83/69/70/822836970.db2.gz MVRYHCOFDDKGOU-UHFFFAOYSA-N 1 2 385.851 4.254 20 0 GIADLO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456839633 822837050 /nfs/dbraw/zinc/83/70/50/822837050.db2.gz CWLGGJYTYVCJEV-UHFFFAOYSA-N 1 2 396.922 4.322 20 0 GIADLO COc1ccc(-c2nc(C)c(C(=O)NCc3c[nH+]c(C)cc3C)s2)c(F)c1 ZINC000456852717 822838194 /nfs/dbraw/zinc/83/81/94/822838194.db2.gz XICQCARVISCXRK-UHFFFAOYSA-N 1 2 385.464 4.208 20 0 GIADLO Cc1cc(C)c(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c[nH+]1 ZINC000456859001 822838728 /nfs/dbraw/zinc/83/87/28/822838728.db2.gz MPMPSJLKZGMBGC-GFCCVEGCSA-N 1 2 397.700 4.198 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000174861861 822848082 /nfs/dbraw/zinc/84/80/82/822848082.db2.gz VSACEDPIUFSMFA-UZLBHIALSA-N 1 2 382.483 4.114 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C)cc3)CC2)c1 ZINC000053813222 822849153 /nfs/dbraw/zinc/84/91/53/822849153.db2.gz YBXVCMJKBFWZED-QGZVFWFLSA-N 1 2 380.488 4.129 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C)cc3)CC2)c1 ZINC000053813222 822849157 /nfs/dbraw/zinc/84/91/57/822849157.db2.gz YBXVCMJKBFWZED-QGZVFWFLSA-N 1 2 380.488 4.129 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(C)c(OC)c1C ZINC000174897514 822852361 /nfs/dbraw/zinc/85/23/61/822852361.db2.gz GCVAXPGXFZLYGX-UHFFFAOYSA-N 1 2 396.535 4.477 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCC(=O)c1ccc(C)s1 ZINC000174904784 822853635 /nfs/dbraw/zinc/85/36/35/822853635.db2.gz JXOMVXWOVDCBGV-UHFFFAOYSA-N 1 2 399.560 4.180 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCCc2occc21 ZINC000174942052 822858875 /nfs/dbraw/zinc/85/88/75/822858875.db2.gz ZLEACBPRJHCBDY-LJQANCHMSA-N 1 2 382.508 4.000 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)c[nH+]1 ZINC000568961428 822865226 /nfs/dbraw/zinc/86/52/26/822865226.db2.gz KIUIAPHMYKOSSW-QGZVFWFLSA-N 1 2 376.382 4.283 20 0 GIADLO COc1c2ccccc2[nH]c1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000568968234 822866106 /nfs/dbraw/zinc/86/61/06/822866106.db2.gz GWBNQAQQVLVHES-HXUWFJFHSA-N 1 2 388.471 4.161 20 0 GIADLO C[C@@H](c1nnc(SCc2nc3ccccc3[nH]2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000054186959 822866656 /nfs/dbraw/zinc/86/66/56/822866656.db2.gz KGUQDQJBRGOKBE-ZDUSSCGKSA-N 1 2 396.495 4.198 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000175022954 822869193 /nfs/dbraw/zinc/86/91/93/822869193.db2.gz SHMWJDGENJFNIR-GDZNZVCISA-N 1 2 376.859 4.158 20 0 GIADLO COc1ccc(N(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1F ZINC000569017040 822869930 /nfs/dbraw/zinc/86/99/30/822869930.db2.gz IZJMGRCVXZNGDJ-CYBMUJFWSA-N 1 2 392.500 4.191 20 0 GIADLO COc1ccc(N(C)C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1F ZINC000569017040 822869933 /nfs/dbraw/zinc/86/99/33/822869933.db2.gz IZJMGRCVXZNGDJ-CYBMUJFWSA-N 1 2 392.500 4.191 20 0 GIADLO CC(C)(Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000457412942 822873652 /nfs/dbraw/zinc/87/36/52/822873652.db2.gz YEAODFJEHJAJDF-UHFFFAOYSA-N 1 2 381.907 4.470 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000054296651 822873780 /nfs/dbraw/zinc/87/37/80/822873780.db2.gz YOHBSOVFWGQRMT-HSZRJFAPSA-N 1 2 390.527 4.084 20 0 GIADLO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054297754 822873786 /nfs/dbraw/zinc/87/37/86/822873786.db2.gz CQAVOLCTAKSUKQ-SFHVURJKSA-N 1 2 394.515 4.316 20 0 GIADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1[nH]ccc1C1CC1 ZINC000457458683 822876850 /nfs/dbraw/zinc/87/68/50/822876850.db2.gz WVHCANNKFUQCCG-QGZVFWFLSA-N 1 2 375.875 4.252 20 0 GIADLO Cc1ccc(CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c(C)n1 ZINC000186338898 822878131 /nfs/dbraw/zinc/87/81/31/822878131.db2.gz LRNLAADEVNPOGQ-OAHLLOKOSA-N 1 2 385.512 4.333 20 0 GIADLO Cc1ccc(CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c(C)n1 ZINC000186338918 822878147 /nfs/dbraw/zinc/87/81/47/822878147.db2.gz LRNLAADEVNPOGQ-HNNXBMFYSA-N 1 2 385.512 4.333 20 0 GIADLO CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000175082861 822879356 /nfs/dbraw/zinc/87/93/56/822879356.db2.gz ZQMCRYFZAYCENY-UHFFFAOYSA-N 1 2 391.456 4.409 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1cccc3ccccc31)C2 ZINC000054390156 822881015 /nfs/dbraw/zinc/88/10/15/822881015.db2.gz VXDSGEXSAPXONA-MRXNPFEDSA-N 1 2 387.483 4.184 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1cccc3ccccc31)C2 ZINC000054390156 822881018 /nfs/dbraw/zinc/88/10/18/822881018.db2.gz VXDSGEXSAPXONA-MRXNPFEDSA-N 1 2 387.483 4.184 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)c1nnc(-c3ccc(C)cc3)o1)C2 ZINC000054390643 822881214 /nfs/dbraw/zinc/88/12/14/822881214.db2.gz UYZJYBDFRAONKG-OAHLLOKOSA-N 1 2 376.460 4.123 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)c1nnc(-c3ccc(C)cc3)o1)C2 ZINC000054390643 822881217 /nfs/dbraw/zinc/88/12/17/822881217.db2.gz UYZJYBDFRAONKG-OAHLLOKOSA-N 1 2 376.460 4.123 20 0 GIADLO CCC[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2NC(C)=O)C1)c1ccccc1 ZINC000054390495 822881300 /nfs/dbraw/zinc/88/13/00/822881300.db2.gz MQLZNMSDTLGUNS-HTAPYJJXSA-N 1 2 393.531 4.049 20 0 GIADLO CCC[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2NC(C)=O)C1)c1ccccc1 ZINC000054390495 822881304 /nfs/dbraw/zinc/88/13/04/822881304.db2.gz MQLZNMSDTLGUNS-HTAPYJJXSA-N 1 2 393.531 4.049 20 0 GIADLO CC(C)(C)[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc(C(F)(F)F)c1 ZINC000569123963 822881540 /nfs/dbraw/zinc/88/15/40/822881540.db2.gz QTMQQDNPZZOUOD-YOEHRIQHSA-N 1 2 379.426 4.368 20 0 GIADLO CCc1ccc(CNC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000175103399 822882561 /nfs/dbraw/zinc/88/25/61/822882561.db2.gz QRYNVXFOJFXMMJ-UHFFFAOYSA-N 1 2 386.565 4.154 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2ccccc2OC2CCCC2)c1C ZINC000457506104 822883214 /nfs/dbraw/zinc/88/32/14/822883214.db2.gz ISGICXWUXLMSIF-UHFFFAOYSA-N 1 2 382.504 4.230 20 0 GIADLO CC(C)Oc1ccc([C@H](C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000569158493 822885992 /nfs/dbraw/zinc/88/59/92/822885992.db2.gz VQCDRQXHHBQHBA-SFHVURJKSA-N 1 2 377.488 4.139 20 0 GIADLO c1ccc([C@@H](c2nc(-c3ccc4c(n3)CCCC4)no2)[NH+]2CCSCC2)cc1 ZINC000569170193 822887770 /nfs/dbraw/zinc/88/77/70/822887770.db2.gz GGTWZQFQAKCAOI-FQEVSTJZSA-N 1 2 392.528 4.149 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cccc([C@@H]2CCCOC2)c1 ZINC000569190426 822890655 /nfs/dbraw/zinc/89/06/55/822890655.db2.gz XMMUWTCYYPIZEX-GOSISDBHSA-N 1 2 395.890 4.350 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000457566294 822892209 /nfs/dbraw/zinc/89/22/09/822892209.db2.gz BQSRUJIMVHORID-MRXNPFEDSA-N 1 2 396.526 4.407 20 0 GIADLO c1ccc(C[C@@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)c2ccccc2)cc1 ZINC000186437924 822895523 /nfs/dbraw/zinc/89/55/23/822895523.db2.gz AKLFLTWBWKYRLI-JOCHJYFZSA-N 1 2 384.483 4.457 20 0 GIADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000175169153 822896824 /nfs/dbraw/zinc/89/68/24/822896824.db2.gz KQUQHTZGBLDKGY-IBGZPJMESA-N 1 2 381.501 4.188 20 0 GIADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000175169153 822896827 /nfs/dbraw/zinc/89/68/27/822896827.db2.gz KQUQHTZGBLDKGY-IBGZPJMESA-N 1 2 381.501 4.188 20 0 GIADLO C[C@@H](c1nnc(SCc2cccc(N)c2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000569259668 822897857 /nfs/dbraw/zinc/89/78/57/822897857.db2.gz IILGEUPIERTEEV-ZDUSSCGKSA-N 1 2 387.940 4.418 20 0 GIADLO c1cn(Cc2cccc(-c3nc([C@@H]4CSc5ccccc5O4)no3)c2)c[nH+]1 ZINC000569272737 822899219 /nfs/dbraw/zinc/89/92/19/822899219.db2.gz FOJYFSZMKKCZAD-KRWDZBQOSA-N 1 2 376.441 4.207 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000457687641 822906627 /nfs/dbraw/zinc/90/66/27/822906627.db2.gz AZIODGJTIGZGBL-SEHCQNQUSA-N 1 2 378.385 4.037 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000457687641 822906632 /nfs/dbraw/zinc/90/66/32/822906632.db2.gz AZIODGJTIGZGBL-SEHCQNQUSA-N 1 2 378.385 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)cs1)c1ccc(C)cc1 ZINC000569325343 822907782 /nfs/dbraw/zinc/90/77/82/822907782.db2.gz RSCNHCBHUXMDHD-IBGZPJMESA-N 1 2 385.533 4.016 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCCC[C@H]2C2(O)CC2)cs1)c1ccc(C)cc1 ZINC000569325343 822907783 /nfs/dbraw/zinc/90/77/83/822907783.db2.gz RSCNHCBHUXMDHD-IBGZPJMESA-N 1 2 385.533 4.016 20 0 GIADLO CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H](C)Cc1ccsc1 ZINC000186528743 822909236 /nfs/dbraw/zinc/90/92/36/822909236.db2.gz PHQXSVLWAGPZBI-HNNXBMFYSA-N 1 2 386.496 4.236 20 0 GIADLO CC(C)c1cccc(O[C@@H](C(=O)NCCc2cn(C)c[nH+]2)c2ccccc2)c1 ZINC000457846928 822925013 /nfs/dbraw/zinc/92/50/13/822925013.db2.gz CJGWFSKACVBVEP-JOCHJYFZSA-N 1 2 377.488 4.023 20 0 GIADLO C[C@H](CC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)n1cc[nH+]c1 ZINC000569490238 822928957 /nfs/dbraw/zinc/92/89/57/822928957.db2.gz WAIMLQGWOPEKBO-CJNGLKHVSA-N 1 2 384.480 4.291 20 0 GIADLO COc1ccc(OCc2nc(C[NH+]3CCC(OCC(C)C)CC3)cs2)cc1 ZINC000054990472 822929012 /nfs/dbraw/zinc/92/90/12/822929012.db2.gz DCOZRZPIZKHUEW-UHFFFAOYSA-N 1 2 390.549 4.368 20 0 GIADLO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000175355483 822943873 /nfs/dbraw/zinc/94/38/73/822943873.db2.gz KEOAQTUZAAKHKJ-GHTZIAJQSA-N 1 2 378.520 4.160 20 0 GIADLO CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000175358247 822945051 /nfs/dbraw/zinc/94/50/51/822945051.db2.gz GOLPKWRXCVGMIT-IAGOWNOFSA-N 1 2 388.537 4.148 20 0 GIADLO CCS[C@H]1CCC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000175358230 822945053 /nfs/dbraw/zinc/94/50/53/822945053.db2.gz GOLPKWRXCVGMIT-IRXDYDNUSA-N 1 2 388.537 4.148 20 0 GIADLO COc1cc(C)c(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1F ZINC000186741538 822948267 /nfs/dbraw/zinc/94/82/67/822948267.db2.gz BYJGDXFHNRRBDX-CTNGQTDRSA-N 1 2 394.450 4.390 20 0 GIADLO Cc1c(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)sc2ccc(Cl)cc12 ZINC000569659034 822951566 /nfs/dbraw/zinc/95/15/66/822951566.db2.gz JSFMRRSUWRUYLK-CYBMUJFWSA-N 1 2 388.924 4.296 20 0 GIADLO O=C(Nc1ccccc1)[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000055374252 822955555 /nfs/dbraw/zinc/95/55/55/822955555.db2.gz TZXMXVFLJJONNM-HSZRJFAPSA-N 1 2 382.467 4.342 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000175393505 822957458 /nfs/dbraw/zinc/95/74/58/822957458.db2.gz GDFNIHNZAVXZQS-JGTBNHKDSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000175393505 822957460 /nfs/dbraw/zinc/95/74/60/822957460.db2.gz GDFNIHNZAVXZQS-JGTBNHKDSA-N 1 2 398.450 4.074 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c(Cl)cccc1OC ZINC000175415645 822963515 /nfs/dbraw/zinc/96/35/15/822963515.db2.gz BCPJFJRUYZDTAV-UHFFFAOYSA-N 1 2 387.911 4.122 20 0 GIADLO Cc1csc(=O)n1CC[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000186854302 822968488 /nfs/dbraw/zinc/96/84/88/822968488.db2.gz VWGLIFRDUVELML-OAHLLOKOSA-N 1 2 388.480 4.027 20 0 GIADLO Cc1csc(=O)n1CC[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000186854302 822968489 /nfs/dbraw/zinc/96/84/89/822968489.db2.gz VWGLIFRDUVELML-OAHLLOKOSA-N 1 2 388.480 4.027 20 0 GIADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC[C@@H]1O ZINC000186907531 822978031 /nfs/dbraw/zinc/97/80/31/822978031.db2.gz WWDZWZJUHRFOBG-KDOFPFPSSA-N 1 2 390.936 4.132 20 0 GIADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC[C@@H]1O ZINC000186907531 822978034 /nfs/dbraw/zinc/97/80/34/822978034.db2.gz WWDZWZJUHRFOBG-KDOFPFPSSA-N 1 2 390.936 4.132 20 0 GIADLO Brc1cccc(-c2noc(C[NH2+][C@@H](c3cccnc3)C3CC3)n2)c1 ZINC000569889886 822981150 /nfs/dbraw/zinc/98/11/50/822981150.db2.gz SKRRQIQTGFGEAU-QGZVFWFLSA-N 1 2 385.265 4.135 20 0 GIADLO Fc1ccc2nc(C3CC3)cc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)c2c1 ZINC000569913230 822985175 /nfs/dbraw/zinc/98/51/75/822985175.db2.gz OJEMLRDDWPXAPP-FOIQADDNSA-N 1 2 394.450 4.227 20 0 GIADLO Fc1ccc2nc(C3CC3)cc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)c2c1 ZINC000569913230 822985179 /nfs/dbraw/zinc/98/51/79/822985179.db2.gz OJEMLRDDWPXAPP-FOIQADDNSA-N 1 2 394.450 4.227 20 0 GIADLO COc1cc2c(cc1C[NH2+][C@H](C)c1ncc(Br)cc1F)O[C@@H](C)C2 ZINC000186980941 822991762 /nfs/dbraw/zinc/99/17/62/822991762.db2.gz MGFPLTXJLWUDSK-WDEREUQCSA-N 1 2 395.272 4.166 20 0 GIADLO CN(C(=O)NCCn1cc[nH+]c1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000175540867 822993626 /nfs/dbraw/zinc/99/36/26/822993626.db2.gz ZYQCOHMOJJSIIW-IBGZPJMESA-N 1 2 386.858 4.107 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000175561477 822997824 /nfs/dbraw/zinc/99/78/24/822997824.db2.gz CPXHMDVDJFZFLV-VGSWGCGISA-N 1 2 392.478 4.363 20 0 GIADLO O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000055720851 823003106 /nfs/dbraw/zinc/00/31/06/823003106.db2.gz ULEHNUQPEOVHCN-UHFFFAOYSA-N 1 2 382.414 4.062 20 0 GIADLO CC[C@@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(C(F)(F)F)c1 ZINC000570097416 823005470 /nfs/dbraw/zinc/00/54/70/823005470.db2.gz CFCDKTFRKVBKEE-QGZVFWFLSA-N 1 2 388.393 4.478 20 0 GIADLO CC(=O)Nc1nc(C[N@H+](Cc2cccs2)C2Cc3ccccc3C2)cs1 ZINC000570100777 823005812 /nfs/dbraw/zinc/00/58/12/823005812.db2.gz VUOFNGNCUVLWMP-UHFFFAOYSA-N 1 2 383.542 4.333 20 0 GIADLO CC(=O)Nc1nc(C[N@@H+](Cc2cccs2)C2Cc3ccccc3C2)cs1 ZINC000570100777 823005815 /nfs/dbraw/zinc/00/58/15/823005815.db2.gz VUOFNGNCUVLWMP-UHFFFAOYSA-N 1 2 383.542 4.333 20 0 GIADLO CCCc1cccc(C[NH2+][C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1 ZINC000187113957 823012420 /nfs/dbraw/zinc/01/24/20/823012420.db2.gz CYOUVELZAMSOPV-QFIPXVFZSA-N 1 2 379.504 4.269 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(SC)s1 ZINC000570209948 823015604 /nfs/dbraw/zinc/01/56/04/823015604.db2.gz YCAMHGWOSKIAGU-MRXNPFEDSA-N 1 2 376.547 4.390 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(SC)s1 ZINC000570209948 823015605 /nfs/dbraw/zinc/01/56/05/823015605.db2.gz YCAMHGWOSKIAGU-MRXNPFEDSA-N 1 2 376.547 4.390 20 0 GIADLO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000175696881 823022553 /nfs/dbraw/zinc/02/25/53/823022553.db2.gz WNNQYWJXDRVYDB-UHFFFAOYSA-N 1 2 384.863 4.201 20 0 GIADLO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000175696881 823022554 /nfs/dbraw/zinc/02/25/54/823022554.db2.gz WNNQYWJXDRVYDB-UHFFFAOYSA-N 1 2 384.863 4.201 20 0 GIADLO Cc1sc2nc([C@H](C)[NH+]3CCC(Oc4ncccc4C)CC3)nc(N)c2c1C ZINC000570321281 823025790 /nfs/dbraw/zinc/02/57/90/823025790.db2.gz CVPLMIQMKMIZNX-AWEZNQCLSA-N 1 2 397.548 4.198 20 0 GIADLO Cc1ccc(C[S@](=O)CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c(C)[nH+]1 ZINC000187220991 823026942 /nfs/dbraw/zinc/02/69/42/823026942.db2.gz RQAMCABRYGQDLA-SOKVYYICSA-N 1 2 386.561 4.023 20 0 GIADLO Cc1ccc(C[S@](=O)CC(=O)N(C2CCCCC2)C2CCCCC2)c(C)[nH+]1 ZINC000187233958 823028688 /nfs/dbraw/zinc/02/86/88/823028688.db2.gz FSGRVMSNPCYKRW-MHZLTWQESA-N 1 2 390.593 4.441 20 0 GIADLO CSC1(C[N@H+](CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)CC1 ZINC000570365604 823029448 /nfs/dbraw/zinc/02/94/48/823029448.db2.gz MYARIAGPZJJPSN-UHFFFAOYSA-N 1 2 375.925 4.071 20 0 GIADLO CSC1(C[N@@H+](CC(=O)Nc2ccc(Cl)cc2)Cc2cccnc2)CC1 ZINC000570365604 823029452 /nfs/dbraw/zinc/02/94/52/823029452.db2.gz MYARIAGPZJJPSN-UHFFFAOYSA-N 1 2 375.925 4.071 20 0 GIADLO Cc1cc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc(N2CCCC2)n1 ZINC000570368737 823030057 /nfs/dbraw/zinc/03/00/57/823030057.db2.gz JCFJVCSNYCNYOS-JOCHJYFZSA-N 1 2 395.938 4.256 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1(Cc2ccccc2Cl)CC1 ZINC000187274591 823035034 /nfs/dbraw/zinc/03/50/34/823035034.db2.gz OZAARZXYLOGJGR-UHFFFAOYSA-N 1 2 379.891 4.224 20 0 GIADLO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187293296 823038003 /nfs/dbraw/zinc/03/80/03/823038003.db2.gz CWZNGBMYLVCTQL-CYBMUJFWSA-N 1 2 397.288 4.168 20 0 GIADLO C[C@H](N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437914 823038350 /nfs/dbraw/zinc/03/83/50/823038350.db2.gz HYEOQRJPNLPWIU-JVPBZIDWSA-N 1 2 382.508 4.440 20 0 GIADLO C[C@H](N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437914 823038351 /nfs/dbraw/zinc/03/83/51/823038351.db2.gz HYEOQRJPNLPWIU-JVPBZIDWSA-N 1 2 382.508 4.440 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1(Cc2ccccc2Cl)CC1 ZINC000187304684 823040137 /nfs/dbraw/zinc/04/01/37/823040137.db2.gz XHZILWUEFHTSKT-UHFFFAOYSA-N 1 2 383.923 4.364 20 0 GIADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)Nc1cccc(-c2ncco2)c1 ZINC000190134276 823541822 /nfs/dbraw/zinc/54/18/22/823541822.db2.gz POJUICZXOWCAFB-UHFFFAOYSA-N 1 2 396.878 4.175 20 0 GIADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)Nc1cccc(-c2ncco2)c1 ZINC000190134276 823541823 /nfs/dbraw/zinc/54/18/23/823541823.db2.gz POJUICZXOWCAFB-UHFFFAOYSA-N 1 2 396.878 4.175 20 0 GIADLO O=c1[nH]c(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)nc2ccc(Cl)cc21 ZINC000411181432 823555019 /nfs/dbraw/zinc/55/50/19/823555019.db2.gz ATUGQPKPEZUAKD-KRWDZBQOSA-N 1 2 383.879 4.170 20 0 GIADLO O=c1[nH]c(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)nc2ccc(Cl)cc21 ZINC000411181432 823555021 /nfs/dbraw/zinc/55/50/21/823555021.db2.gz ATUGQPKPEZUAKD-KRWDZBQOSA-N 1 2 383.879 4.170 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)C[C@@H]1n1cc[nH+]c1 ZINC000124038318 823561885 /nfs/dbraw/zinc/56/18/85/823561885.db2.gz VJAMNOVJMYLDNB-SZNDQCEHSA-N 1 2 378.451 4.171 20 0 GIADLO CCO[C@H](C)c1noc(C[N@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n1 ZINC000190362897 823566455 /nfs/dbraw/zinc/56/64/55/823566455.db2.gz VMBSXHUUHVVKBM-VXGBXAGGSA-N 1 2 388.295 4.373 20 0 GIADLO CCO[C@H](C)c1noc(C[N@@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)n1 ZINC000190362897 823566458 /nfs/dbraw/zinc/56/64/58/823566458.db2.gz VMBSXHUUHVVKBM-VXGBXAGGSA-N 1 2 388.295 4.373 20 0 GIADLO CC[C@@](C)([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)c1nccs1 ZINC000411396267 823569764 /nfs/dbraw/zinc/56/97/64/823569764.db2.gz WRXMPKORMYMZGV-MRXNPFEDSA-N 1 2 378.548 4.182 20 0 GIADLO O=C(Cc1cnccc1Cl)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000411398954 823570201 /nfs/dbraw/zinc/57/02/01/823570201.db2.gz KJECHAMKEUIGNI-KRWDZBQOSA-N 1 2 396.293 4.023 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461075585 823570996 /nfs/dbraw/zinc/57/09/96/823570996.db2.gz OIYSWSFLALYYEH-UHFFFAOYSA-N 1 2 377.410 4.141 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2nc(N)c3ccccc3n2)ccc1OC1CCCC1 ZINC000411457693 823576845 /nfs/dbraw/zinc/57/68/45/823576845.db2.gz WUACIBSCGPTAIJ-HNNXBMFYSA-N 1 2 392.503 4.223 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](CC)c1cc(F)ccc1F ZINC000190470085 823578706 /nfs/dbraw/zinc/57/87/06/823578706.db2.gz HFPIOWQMELGUSP-GOSISDBHSA-N 1 2 378.467 4.297 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(c4ccccc4F)C3)n2)C1 ZINC000461117428 823580595 /nfs/dbraw/zinc/58/05/95/823580595.db2.gz USUJWWFJTHOGNG-CQSZACIVSA-N 1 2 388.512 4.145 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(c4ccccc4F)C3)n2)C1 ZINC000461117428 823580597 /nfs/dbraw/zinc/58/05/97/823580597.db2.gz USUJWWFJTHOGNG-CQSZACIVSA-N 1 2 388.512 4.145 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)cs1 ZINC000411534233 823585784 /nfs/dbraw/zinc/58/57/84/823585784.db2.gz OUWXDIVIWNBYEC-MRXNPFEDSA-N 1 2 383.517 4.178 20 0 GIADLO Cc1cnn(-c2ccc([C@@H](C)[NH2+][C@H](C)c3nc(-c4cccnc4)no3)cc2F)c1 ZINC000124306913 823585915 /nfs/dbraw/zinc/58/59/15/823585915.db2.gz RFGIJRASONYPMU-HUUCEWRRSA-N 1 2 392.438 4.177 20 0 GIADLO CSCC[C@@H]([NH2+]Cc1ccc(-c2ncco2)cc1F)c1nnc2ccccn21 ZINC000411538618 823586188 /nfs/dbraw/zinc/58/61/88/823586188.db2.gz TVTPKOBLRIWZFA-QGZVFWFLSA-N 1 2 397.479 4.107 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000411583718 823589438 /nfs/dbraw/zinc/58/94/38/823589438.db2.gz DIMOABYHCGHKMA-VQTJNVASSA-N 1 2 379.504 4.036 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3c[nH]nc3-c3ccccc3F)n2)CC1 ZINC000124398882 823593344 /nfs/dbraw/zinc/59/33/44/823593344.db2.gz KBJVCANSPWRDKP-UHFFFAOYSA-N 1 2 399.495 4.157 20 0 GIADLO O=C(CSCc1cc(-c2cccs2)on1)Nc1ccccc1-n1cc[nH+]c1 ZINC000061380056 823594163 /nfs/dbraw/zinc/59/41/63/823594163.db2.gz KEGHYWCOJRWLBL-UHFFFAOYSA-N 1 2 396.497 4.461 20 0 GIADLO O=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000461196845 823596728 /nfs/dbraw/zinc/59/67/28/823596728.db2.gz OIVIZYMRQMFWOA-UHFFFAOYSA-N 1 2 386.480 4.330 20 0 GIADLO OC[C@H]1C[N@H+](Cc2cccc(Br)c2Cl)CC[C@@H]1C(F)(F)F ZINC000411717590 823599561 /nfs/dbraw/zinc/59/95/61/823599561.db2.gz IXAMTKOZEDQXTE-MNOVXSKESA-N 1 2 386.639 4.095 20 0 GIADLO OC[C@H]1C[N@@H+](Cc2cccc(Br)c2Cl)CC[C@@H]1C(F)(F)F ZINC000411717590 823599565 /nfs/dbraw/zinc/59/95/65/823599565.db2.gz IXAMTKOZEDQXTE-MNOVXSKESA-N 1 2 386.639 4.095 20 0 GIADLO OC[C@H]1C[N@H+](Cc2cccc(Br)c2Cl)CC[C@H]1C(F)(F)F ZINC000411717588 823599590 /nfs/dbraw/zinc/59/95/90/823599590.db2.gz IXAMTKOZEDQXTE-GHMZBOCLSA-N 1 2 386.639 4.095 20 0 GIADLO OC[C@H]1C[N@@H+](Cc2cccc(Br)c2Cl)CC[C@H]1C(F)(F)F ZINC000411717588 823599595 /nfs/dbraw/zinc/59/95/95/823599595.db2.gz IXAMTKOZEDQXTE-GHMZBOCLSA-N 1 2 386.639 4.095 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc3cc(Br)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000124492162 823601180 /nfs/dbraw/zinc/60/11/80/823601180.db2.gz MGAHLLZXUVGYRQ-IUODEOHRSA-N 1 2 388.265 4.115 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)CCc2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000411780322 823604288 /nfs/dbraw/zinc/60/42/88/823604288.db2.gz FRALTKVYPXJDHQ-UHFFFAOYSA-N 1 2 386.883 4.085 20 0 GIADLO C[C@@H]1Cc2c([nH+]cn2Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@@H]1C ZINC000411797537 823605779 /nfs/dbraw/zinc/60/57/79/823605779.db2.gz RUGNIGXJIINSGM-NWDGAFQWSA-N 1 2 380.473 4.273 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC000411809492 823607013 /nfs/dbraw/zinc/60/70/13/823607013.db2.gz UKGVPDZXVKZMBX-FUHWJXTLSA-N 1 2 385.895 4.051 20 0 GIADLO FC(F)Oc1ccc(Br)cc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000411827075 823609298 /nfs/dbraw/zinc/60/92/98/823609298.db2.gz LIIIILXCHSUCIJ-UHFFFAOYSA-N 1 2 398.251 4.220 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000411838632 823610724 /nfs/dbraw/zinc/61/07/24/823610724.db2.gz YZHSVLLMRVZMCZ-PMACEKPBSA-N 1 2 379.504 4.130 20 0 GIADLO CCc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C)c2nccs2)c2cccs2)cc1 ZINC000411879812 823612359 /nfs/dbraw/zinc/61/23/59/823612359.db2.gz LKESCNBOKCNYNE-IFXJQAMLSA-N 1 2 385.558 4.323 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412002125 823620595 /nfs/dbraw/zinc/62/05/95/823620595.db2.gz SHMXBONLVXDTOQ-OAQYLSRUSA-N 1 2 384.907 4.441 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412002125 823620597 /nfs/dbraw/zinc/62/05/97/823620597.db2.gz SHMXBONLVXDTOQ-OAQYLSRUSA-N 1 2 384.907 4.441 20 0 GIADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000412003503 823621162 /nfs/dbraw/zinc/62/11/62/823621162.db2.gz PUUPVAPCHKAPEC-MOPGFXCFSA-N 1 2 385.471 4.065 20 0 GIADLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000412010739 823622292 /nfs/dbraw/zinc/62/22/92/823622292.db2.gz JCPYRJIXRPWRNC-JOCHJYFZSA-N 1 2 399.556 4.013 20 0 GIADLO Cc1cccc(S(=O)(=O)CCC[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000412010739 823622293 /nfs/dbraw/zinc/62/22/93/823622293.db2.gz JCPYRJIXRPWRNC-JOCHJYFZSA-N 1 2 399.556 4.013 20 0 GIADLO C[N@H+](CC1CCOCC1)Cn1nc(-c2ccco2)n(C2CCCCC2)c1=S ZINC000124740752 823622535 /nfs/dbraw/zinc/62/25/35/823622535.db2.gz FGSKDRMZUCIVQA-UHFFFAOYSA-N 1 2 390.553 4.495 20 0 GIADLO C[N@@H+](CC1CCOCC1)Cn1nc(-c2ccco2)n(C2CCCCC2)c1=S ZINC000124740752 823622538 /nfs/dbraw/zinc/62/25/38/823622538.db2.gz FGSKDRMZUCIVQA-UHFFFAOYSA-N 1 2 390.553 4.495 20 0 GIADLO C[C@H](C(=O)[C@@H](C#N)c1cnc2ccccc2n1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000190912962 823623469 /nfs/dbraw/zinc/62/34/69/823623469.db2.gz UUFYCODQBBJAGQ-NQIIRXRSSA-N 1 2 398.510 4.149 20 0 GIADLO Fc1ccc(C2([NH2+]Cc3nccn3Cc3ccccc3)CCOCC2)c(F)c1 ZINC000124766148 823624394 /nfs/dbraw/zinc/62/43/94/823624394.db2.gz VPAHKFYRHJCGIW-UHFFFAOYSA-N 1 2 383.442 4.005 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H](CO)[C@H]2C)cs1)c1ccc(Cl)cc1 ZINC000412098272 823626443 /nfs/dbraw/zinc/62/64/43/823626443.db2.gz VQPMVMVUQDRNCX-UKRRQHHQSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)cs1)c1ccc(Cl)cc1 ZINC000412098272 823626444 /nfs/dbraw/zinc/62/64/44/823626444.db2.gz VQPMVMVUQDRNCX-UKRRQHHQSA-N 1 2 393.940 4.074 20 0 GIADLO O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000124796505 823626913 /nfs/dbraw/zinc/62/69/13/823626913.db2.gz DIWVGOIOQFUYIR-YADHBBJMSA-N 1 2 398.470 4.324 20 0 GIADLO O=C(Cc1cccc(Cl)c1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000461396327 823629149 /nfs/dbraw/zinc/62/91/49/823629149.db2.gz LKYZVOJATCLLFJ-UHFFFAOYSA-N 1 2 378.850 4.165 20 0 GIADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1ccc(Br)cc1Cl ZINC000124853146 823631143 /nfs/dbraw/zinc/63/11/43/823631143.db2.gz SAVICEWLPHVOMH-UHFFFAOYSA-N 1 2 394.700 4.101 20 0 GIADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1ccc(Br)cc1Cl ZINC000124853146 823631145 /nfs/dbraw/zinc/63/11/45/823631145.db2.gz SAVICEWLPHVOMH-UHFFFAOYSA-N 1 2 394.700 4.101 20 0 GIADLO COc1ccc(F)c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1OC ZINC000190981390 823633863 /nfs/dbraw/zinc/63/38/63/823633863.db2.gz CWGRIHQIZNZMCX-UHFFFAOYSA-N 1 2 395.434 4.295 20 0 GIADLO O=C(Nc1ccccc1)[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1 ZINC000062421941 823634708 /nfs/dbraw/zinc/63/47/08/823634708.db2.gz MZRFVBURUATROC-JOCHJYFZSA-N 1 2 388.467 4.318 20 0 GIADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000124944592 823639294 /nfs/dbraw/zinc/63/92/94/823639294.db2.gz HBLAZLHNXDRMBU-ZIAGYGMSSA-N 1 2 383.460 4.011 20 0 GIADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000124944592 823639296 /nfs/dbraw/zinc/63/92/96/823639296.db2.gz HBLAZLHNXDRMBU-ZIAGYGMSSA-N 1 2 383.460 4.011 20 0 GIADLO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000191038860 823641049 /nfs/dbraw/zinc/64/10/49/823641049.db2.gz FAZQYKSJKAQXIY-DOTOQJQBSA-N 1 2 397.862 4.285 20 0 GIADLO CC1(C)C[C@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc2O1 ZINC000412320044 823646119 /nfs/dbraw/zinc/64/61/19/823646119.db2.gz LKXADXRQEGEQQJ-PXNSSMCTSA-N 1 2 393.531 4.270 20 0 GIADLO Cn1cccc1C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000191206105 823658999 /nfs/dbraw/zinc/65/89/99/823658999.db2.gz SRWQOMLMDNIARO-INIZCTEOSA-N 1 2 387.281 4.175 20 0 GIADLO Cn1cccc1C[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000191206105 823659004 /nfs/dbraw/zinc/65/90/04/823659004.db2.gz SRWQOMLMDNIARO-INIZCTEOSA-N 1 2 387.281 4.175 20 0 GIADLO Fc1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(Cl)c1 ZINC000191304672 823669370 /nfs/dbraw/zinc/66/93/70/823669370.db2.gz XMJUZABGVRKOGA-UHFFFAOYSA-N 1 2 394.825 4.062 20 0 GIADLO Fc1ccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(Cl)c1 ZINC000191304672 823669372 /nfs/dbraw/zinc/66/93/72/823669372.db2.gz XMJUZABGVRKOGA-UHFFFAOYSA-N 1 2 394.825 4.062 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1nc2ccccc2s1 ZINC000125351832 823670011 /nfs/dbraw/zinc/67/00/11/823670011.db2.gz QLDMAQYVQHFIRF-UHFFFAOYSA-N 1 2 380.517 4.070 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000125390636 823672683 /nfs/dbraw/zinc/67/26/83/823672683.db2.gz CEWBFQJYEYMLRJ-IBGZPJMESA-N 1 2 393.487 4.289 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1ccncc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000125390636 823672684 /nfs/dbraw/zinc/67/26/84/823672684.db2.gz CEWBFQJYEYMLRJ-IBGZPJMESA-N 1 2 393.487 4.289 20 0 GIADLO COCCN(C)c1ccc(C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)cn1 ZINC000191330631 823672714 /nfs/dbraw/zinc/67/27/14/823672714.db2.gz DLKZUPOXALRBDJ-JOCHJYFZSA-N 1 2 396.922 4.092 20 0 GIADLO Cn1cc(C[N@H+](C)Cc2nc3ccccc3n2C)c(-c2cc3ccccc3o2)n1 ZINC000125413079 823674271 /nfs/dbraw/zinc/67/42/71/823674271.db2.gz LCVRQSYWNJMOSA-UHFFFAOYSA-N 1 2 385.471 4.352 20 0 GIADLO Cn1cc(C[N@@H+](C)Cc2nc3ccccc3n2C)c(-c2cc3ccccc3o2)n1 ZINC000125413079 823674275 /nfs/dbraw/zinc/67/42/75/823674275.db2.gz LCVRQSYWNJMOSA-UHFFFAOYSA-N 1 2 385.471 4.352 20 0 GIADLO Cc1oc2nc(C[N@H+](CCc3ccccc3)Cc3cccnc3)nc(N)c2c1C ZINC000191347437 823674907 /nfs/dbraw/zinc/67/49/07/823674907.db2.gz BBOIZGRYWFYNGK-UHFFFAOYSA-N 1 2 387.487 4.062 20 0 GIADLO Cc1oc2nc(C[N@@H+](CCc3ccccc3)Cc3cccnc3)nc(N)c2c1C ZINC000191347437 823674908 /nfs/dbraw/zinc/67/49/08/823674908.db2.gz BBOIZGRYWFYNGK-UHFFFAOYSA-N 1 2 387.487 4.062 20 0 GIADLO CC(C)N(C(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)C1CCCC1 ZINC000063521749 823677399 /nfs/dbraw/zinc/67/73/99/823677399.db2.gz QFNZDSORJFLRAF-QHCPKHFHSA-N 1 2 393.531 4.136 20 0 GIADLO Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)o2)c(C)c1 ZINC000125468090 823678654 /nfs/dbraw/zinc/67/86/54/823678654.db2.gz YXHWQBSHUGOXTM-YLJYHZDGSA-N 1 2 393.487 4.395 20 0 GIADLO Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)o2)c(C)c1 ZINC000125468468 823678754 /nfs/dbraw/zinc/67/87/54/823678754.db2.gz YXHWQBSHUGOXTM-XLIONFOSSA-N 1 2 393.487 4.395 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c2cccs2)cc1 ZINC000125481847 823679746 /nfs/dbraw/zinc/67/97/46/823679746.db2.gz IKHLMFXDJYNSIB-OFNKIYASSA-N 1 2 391.540 4.494 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)c2cccs2)cc1 ZINC000125481847 823679748 /nfs/dbraw/zinc/67/97/48/823679748.db2.gz IKHLMFXDJYNSIB-OFNKIYASSA-N 1 2 391.540 4.494 20 0 GIADLO O=C1CCCCN1C1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000191415299 823682802 /nfs/dbraw/zinc/68/28/02/823682802.db2.gz LEPLQCRVMCQFPA-UHFFFAOYSA-N 1 2 391.762 4.141 20 0 GIADLO CCCOc1cc(F)ccc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000125580176 823686933 /nfs/dbraw/zinc/68/69/33/823686933.db2.gz PXBRATPTUYASOH-UHFFFAOYSA-N 1 2 382.439 4.181 20 0 GIADLO Cc1nnc(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)n1C1CC1 ZINC000191460867 823687789 /nfs/dbraw/zinc/68/77/89/823687789.db2.gz HKDMXPZDXGEGCU-UHFFFAOYSA-N 1 2 375.314 4.096 20 0 GIADLO Cc1nnc(C[N@H+](Cc2cccc(Br)c2)CC2CC2)n1C1CC1 ZINC000191460867 823687790 /nfs/dbraw/zinc/68/77/90/823687790.db2.gz HKDMXPZDXGEGCU-UHFFFAOYSA-N 1 2 375.314 4.096 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1csc(-c2ccccc2F)n1 ZINC000063685529 823689324 /nfs/dbraw/zinc/68/93/24/823689324.db2.gz CYKAVYVMYVIUCB-UHFFFAOYSA-N 1 2 392.459 4.124 20 0 GIADLO COc1ccccc1[C@H]([NH2+]Cc1ccc(N(C)C(C)C)nc1)c1ccccn1 ZINC000191498433 823691827 /nfs/dbraw/zinc/69/18/27/823691827.db2.gz UARSSCNAYYNGIC-QHCPKHFHSA-N 1 2 376.504 4.209 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc(Cl)cc3Cl)[nH+]cn2)C1 ZINC000413028631 823700482 /nfs/dbraw/zinc/70/04/82/823700482.db2.gz QCHHXBHHSXMFIS-YNEHKIRRSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc(Cl)cc3Cl)nc[nH+]2)C1 ZINC000413028631 823700483 /nfs/dbraw/zinc/70/04/83/823700483.db2.gz QCHHXBHHSXMFIS-YNEHKIRRSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125729406 823700989 /nfs/dbraw/zinc/70/09/89/823700989.db2.gz CWRLEEITNCSYEY-MRXNPFEDSA-N 1 2 388.458 4.016 20 0 GIADLO CCC(CC)(CNC(=O)NCc1c[nH+]cn1C)c1ccc(Cl)c(Cl)c1 ZINC000574332706 823704076 /nfs/dbraw/zinc/70/40/76/823704076.db2.gz DCFBGQMDZMRUAM-UHFFFAOYSA-N 1 2 383.323 4.284 20 0 GIADLO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccccc1F)c1nc(Cc2ccccc2)no1 ZINC000191597906 823707747 /nfs/dbraw/zinc/70/77/47/823707747.db2.gz VHCFIIAUKUGSMK-CQSZACIVSA-N 1 2 377.423 4.040 20 0 GIADLO C[C@H]1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000125801586 823714411 /nfs/dbraw/zinc/71/44/11/823714411.db2.gz BPSBJGGMSBOGPT-YJBOKZPZSA-N 1 2 391.437 4.433 20 0 GIADLO C[N@H+](Cc1cc(-c2cccs2)on1)[C@@H](CO)c1cccc(Br)c1 ZINC000125802689 823714920 /nfs/dbraw/zinc/71/49/20/823714920.db2.gz PLOZPFDYHQKYGA-HNNXBMFYSA-N 1 2 393.306 4.331 20 0 GIADLO C[N@@H+](Cc1cc(-c2cccs2)on1)[C@@H](CO)c1cccc(Br)c1 ZINC000125802689 823714927 /nfs/dbraw/zinc/71/49/27/823714927.db2.gz PLOZPFDYHQKYGA-HNNXBMFYSA-N 1 2 393.306 4.331 20 0 GIADLO CSc1nc(C(F)F)cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000574388809 823717195 /nfs/dbraw/zinc/71/71/95/823717195.db2.gz OQIWKMXBQMVLIL-UHFFFAOYSA-N 1 2 384.883 4.112 20 0 GIADLO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@H+](Cc2ccc(C)s2)C(C)C)C1=O ZINC000064028069 823736588 /nfs/dbraw/zinc/73/65/88/823736588.db2.gz CYOSTDVQDSQXDL-NRFANRHFSA-N 1 2 385.533 4.082 20 0 GIADLO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@@H+](Cc2ccc(C)s2)C(C)C)C1=O ZINC000064028069 823736596 /nfs/dbraw/zinc/73/65/96/823736596.db2.gz CYOSTDVQDSQXDL-NRFANRHFSA-N 1 2 385.533 4.082 20 0 GIADLO COc1ccc(-n2ccn(C[N@@H+]3CCc4ccc(OC)cc4C3)c2=S)cc1 ZINC000064028704 823737293 /nfs/dbraw/zinc/73/72/93/823737293.db2.gz WIDIPVMLMUOMFW-UHFFFAOYSA-N 1 2 381.501 4.041 20 0 GIADLO COc1ccc(-n2ccn(C[N@H+]3CCc4ccc(OC)cc4C3)c2=S)cc1 ZINC000064028704 823737301 /nfs/dbraw/zinc/73/73/01/823737301.db2.gz WIDIPVMLMUOMFW-UHFFFAOYSA-N 1 2 381.501 4.041 20 0 GIADLO C[C@@H]1C[C@]2(CCO1)CN(c1[nH+]ccc3cc(Br)ccc31)C[C@H](C)O2 ZINC000413261283 823740645 /nfs/dbraw/zinc/74/06/45/823740645.db2.gz DSESYHNDAWURHR-BIENJYKASA-N 1 2 391.309 4.160 20 0 GIADLO O=C(Nc1ccccc1Br)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000125936497 823748613 /nfs/dbraw/zinc/74/86/13/823748613.db2.gz CSMBQVATCQQVJZ-FMIVXFBMSA-N 1 2 392.124 4.419 20 0 GIADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(O)ccc1Br)c1ccccc1 ZINC000574558432 823765414 /nfs/dbraw/zinc/76/54/14/823765414.db2.gz IUHBVQAYHYHXKE-GOSISDBHSA-N 1 2 392.293 4.327 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000191780791 823766227 /nfs/dbraw/zinc/76/62/27/823766227.db2.gz BEJWTHRGVIGURW-UHFFFAOYSA-N 1 2 378.904 4.360 20 0 GIADLO C[C@H]1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)C[C@H]1n1cc[nH+]c1 ZINC000126022141 823768440 /nfs/dbraw/zinc/76/84/40/823768440.db2.gz QGLUYJABWFFBFB-OXJNMPFZSA-N 1 2 381.451 4.325 20 0 GIADLO O=C(CCCOc1ccccc1F)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000574608504 823779465 /nfs/dbraw/zinc/77/94/65/823779465.db2.gz VZGKZAVWHIHOFV-UHFFFAOYSA-N 1 2 387.842 4.140 20 0 GIADLO Cc1ccc(S[C@@H](C)C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000126074063 823780233 /nfs/dbraw/zinc/78/02/33/823780233.db2.gz DQSHRKGTDSGWTI-SFHVURJKSA-N 1 2 384.545 4.255 20 0 GIADLO CC(=O)Nc1cccc(C[NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)c1 ZINC000126096736 823786460 /nfs/dbraw/zinc/78/64/60/823786460.db2.gz OBZVRCVPGIOUSW-HSZRJFAPSA-N 1 2 384.483 4.411 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000126101593 823787522 /nfs/dbraw/zinc/78/75/22/823787522.db2.gz AOWZYHALQGGEPT-GAJHUEQPSA-N 1 2 397.482 4.217 20 0 GIADLO CSCC[C@@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)c1nnc2ccccn21 ZINC000164251847 823789687 /nfs/dbraw/zinc/78/96/87/823789687.db2.gz XCIUAQNGVIMCCQ-IAQYHMDHSA-N 1 2 380.439 4.292 20 0 GIADLO CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H](C)Cc1ccsc1 ZINC000462004656 823791856 /nfs/dbraw/zinc/79/18/56/823791856.db2.gz RMJXEGRGGZLZNU-KRWDZBQOSA-N 1 2 382.533 4.156 20 0 GIADLO CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1(CC)CC ZINC000462011093 823793815 /nfs/dbraw/zinc/79/38/15/823793815.db2.gz TZONCWITWHAPNA-RTWAWAEBSA-N 1 2 398.551 4.057 20 0 GIADLO CCc1cnccc1[C@H](C)[NH2+]Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000574668815 823794974 /nfs/dbraw/zinc/79/49/74/823794974.db2.gz GSYGTZXJHZCASP-STQMWFEESA-N 1 2 381.549 4.207 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C ZINC000191848394 823795237 /nfs/dbraw/zinc/79/52/37/823795237.db2.gz WKFSNBHMPGAQBO-UHFFFAOYSA-N 1 2 397.523 4.047 20 0 GIADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c1 ZINC000164323806 823796178 /nfs/dbraw/zinc/79/61/78/823796178.db2.gz QVJGHUMDFHBQIQ-SFHVURJKSA-N 1 2 379.504 4.384 20 0 GIADLO O=C1CCCN1[C@H]1CCCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000413567808 823798195 /nfs/dbraw/zinc/79/81/95/823798195.db2.gz LATUBXPRDXLXAX-INIZCTEOSA-N 1 2 377.410 4.235 20 0 GIADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000164378425 823799503 /nfs/dbraw/zinc/79/95/03/823799503.db2.gz DGXOZFHEPNRLHN-INIZCTEOSA-N 1 2 386.496 4.167 20 0 GIADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000164378425 823799504 /nfs/dbraw/zinc/79/95/04/823799504.db2.gz DGXOZFHEPNRLHN-INIZCTEOSA-N 1 2 386.496 4.167 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)C1 ZINC000126149939 823800257 /nfs/dbraw/zinc/80/02/57/823800257.db2.gz ROTWVGGZVKDDMW-HNNXBMFYSA-N 1 2 395.507 4.345 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000126168801 823804201 /nfs/dbraw/zinc/80/42/01/823804201.db2.gz IMKQEGKOURBTET-UHFFFAOYSA-N 1 2 392.421 4.027 20 0 GIADLO CN(C)c1noc(C[NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)n1 ZINC000191901048 823807777 /nfs/dbraw/zinc/80/77/77/823807777.db2.gz CCKGYJZEMXAWHT-UHFFFAOYSA-N 1 2 382.411 4.173 20 0 GIADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000126188199 823808226 /nfs/dbraw/zinc/80/82/26/823808226.db2.gz QRGOXJFKPHKWEF-UHFFFAOYSA-N 1 2 381.863 4.209 20 0 GIADLO OC[C@]1(F)C[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1c1ccccc1 ZINC000574721444 823809044 /nfs/dbraw/zinc/80/90/44/823809044.db2.gz WKLWVHTWUGUBMR-WIYYLYMNSA-N 1 2 386.854 4.295 20 0 GIADLO OC[C@]1(F)C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1c1ccccc1 ZINC000574721444 823809046 /nfs/dbraw/zinc/80/90/46/823809046.db2.gz WKLWVHTWUGUBMR-WIYYLYMNSA-N 1 2 386.854 4.295 20 0 GIADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000164603351 823811436 /nfs/dbraw/zinc/81/14/36/823811436.db2.gz KDTNKMUMBXYRPW-DYESRHJHSA-N 1 2 382.552 4.351 20 0 GIADLO CCO[C@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccccc1 ZINC000413654957 823811500 /nfs/dbraw/zinc/81/15/00/823811500.db2.gz MBQOYRBZISCZHW-VXKWHMMOSA-N 1 2 377.488 4.135 20 0 GIADLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000164603460 823811465 /nfs/dbraw/zinc/81/14/65/823811465.db2.gz KDTNKMUMBXYRPW-LAUBAEHRSA-N 1 2 382.552 4.351 20 0 GIADLO Cc1cc(OC(F)F)c(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)s1 ZINC000126209147 823812796 /nfs/dbraw/zinc/81/27/96/823812796.db2.gz MTHHNHHKFCTRPO-UHFFFAOYSA-N 1 2 396.459 4.051 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cnccc2C(C)(C)C)CC1 ZINC000413670698 823814807 /nfs/dbraw/zinc/81/48/07/823814807.db2.gz QSKNLIBLCRAJSW-INIZCTEOSA-N 1 2 386.565 4.029 20 0 GIADLO O=C(Nc1ccc(C(=O)C2CCC2)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000574740576 823815241 /nfs/dbraw/zinc/81/52/41/823815241.db2.gz GXUWJGVCGOPIOS-UHFFFAOYSA-N 1 2 383.517 4.081 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000126222747 823815407 /nfs/dbraw/zinc/81/54/07/823815407.db2.gz ISCOZIGCHADGDX-GOSISDBHSA-N 1 2 384.545 4.088 20 0 GIADLO Cc1cccn2cc(CC(=O)NCC3(c4cccc(F)c4F)CCCC3)[nH+]c12 ZINC000574742414 823815627 /nfs/dbraw/zinc/81/56/27/823815627.db2.gz WOAQGSFSAKEWIM-UHFFFAOYSA-N 1 2 383.442 4.092 20 0 GIADLO O=C(CC1CCSCC1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000126282333 823828519 /nfs/dbraw/zinc/82/85/19/823828519.db2.gz NPZKBXWQTLXQTJ-UHFFFAOYSA-N 1 2 387.574 4.173 20 0 GIADLO O=C(CC1CCSCC1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000126282333 823828520 /nfs/dbraw/zinc/82/85/20/823828520.db2.gz NPZKBXWQTLXQTJ-UHFFFAOYSA-N 1 2 387.574 4.173 20 0 GIADLO Cc1ccc(C)c(NC(=O)C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000165113774 823834489 /nfs/dbraw/zinc/83/44/89/823834489.db2.gz AQWOFBLWUDTIBX-HSZRJFAPSA-N 1 2 387.483 4.212 20 0 GIADLO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192036586 823839650 /nfs/dbraw/zinc/83/96/50/823839650.db2.gz KXCWIQWXWJOTBW-FDQGKXFDSA-N 1 2 379.888 4.076 20 0 GIADLO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C[C@@H](c2ccccc2)C1 ZINC000413777151 823839892 /nfs/dbraw/zinc/83/98/92/823839892.db2.gz DTYLLZFHPCONFP-VMXMFDLUSA-N 1 2 380.536 4.282 20 0 GIADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000574885309 823851395 /nfs/dbraw/zinc/85/13/95/823851395.db2.gz NSNMYYYVKJMIQJ-RSKVWTTASA-N 1 2 375.516 4.215 20 0 GIADLO Cc1nsc(C)c1C[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000574895643 823854989 /nfs/dbraw/zinc/85/49/89/823854989.db2.gz OISKYQQRCNAALV-UHFFFAOYSA-N 1 2 395.528 4.448 20 0 GIADLO Cc1nsc(C)c1C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000574895643 823854992 /nfs/dbraw/zinc/85/49/92/823854992.db2.gz OISKYQQRCNAALV-UHFFFAOYSA-N 1 2 395.528 4.448 20 0 GIADLO CC[C@@H](C)NC(=O)C[NH2+][C@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000462176835 823855157 /nfs/dbraw/zinc/85/51/57/823855157.db2.gz PGMPHLGBHYCDJS-ZUOKHONESA-N 1 2 378.488 4.280 20 0 GIADLO C[N@H+](CCC(F)(F)F)CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000064635405 823855844 /nfs/dbraw/zinc/85/58/44/823855844.db2.gz NHHILQACENMHEU-UHFFFAOYSA-N 1 2 378.438 4.142 20 0 GIADLO C[N@@H+](CCC(F)(F)F)CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000064635405 823855847 /nfs/dbraw/zinc/85/58/47/823855847.db2.gz NHHILQACENMHEU-UHFFFAOYSA-N 1 2 378.438 4.142 20 0 GIADLO C[C@@H]1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000126396561 823856471 /nfs/dbraw/zinc/85/64/71/823856471.db2.gz NTDQPIKFZBIEHU-QAGCJTHBSA-N 1 2 380.879 4.208 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccccc2OC2CCC2)CC1 ZINC000462181555 823857771 /nfs/dbraw/zinc/85/77/71/823857771.db2.gz YKVRTBUUVVVOGM-QGZVFWFLSA-N 1 2 399.560 4.268 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+](C)C[C@@H]2CCCOC2)cs1 ZINC000165743835 823861879 /nfs/dbraw/zinc/86/18/79/823861879.db2.gz XHKLATJGNLMMOV-KRWDZBQOSA-N 1 2 387.549 4.249 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+](C)C[C@@H]2CCCOC2)cs1 ZINC000165743835 823861886 /nfs/dbraw/zinc/86/18/86/823861886.db2.gz XHKLATJGNLMMOV-KRWDZBQOSA-N 1 2 387.549 4.249 20 0 GIADLO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000462194498 823863665 /nfs/dbraw/zinc/86/36/65/823863665.db2.gz IHZMWVVSZBEVSH-IPELMVKDSA-N 1 2 375.900 4.050 20 0 GIADLO CC[N@H+](Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)CC(C)(C)O ZINC000165871225 823865303 /nfs/dbraw/zinc/86/53/03/823865303.db2.gz SEOYHXZZBDXPRC-UHFFFAOYSA-N 1 2 389.565 4.346 20 0 GIADLO CC[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)CC(F)(F)F ZINC000413913187 823865185 /nfs/dbraw/zinc/86/51/85/823865185.db2.gz OZLOQPBQLLZJGO-WBAXXEDZSA-N 1 2 394.441 4.390 20 0 GIADLO CC[N@@H+](Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)CC(C)(C)O ZINC000165871225 823865304 /nfs/dbraw/zinc/86/53/04/823865304.db2.gz SEOYHXZZBDXPRC-UHFFFAOYSA-N 1 2 389.565 4.346 20 0 GIADLO COc1cccc(C[NH2+][C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)c1OC ZINC000165939801 823866198 /nfs/dbraw/zinc/86/61/98/823866198.db2.gz FPSFSNMKFBGPQX-ZDUSSCGKSA-N 1 2 386.883 4.097 20 0 GIADLO C[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)Cc1cccs1 ZINC000462200915 823867241 /nfs/dbraw/zinc/86/72/41/823867241.db2.gz IDBLJKIRGSKCFR-HOTGVXAUSA-N 1 2 377.579 4.077 20 0 GIADLO CSc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000166037821 823868614 /nfs/dbraw/zinc/86/86/14/823868614.db2.gz AGWHQPBYSUCNEC-ZDUSSCGKSA-N 1 2 378.929 4.282 20 0 GIADLO C[C@H]1CCN(C(=O)CCSc2nc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000126447064 823870242 /nfs/dbraw/zinc/87/02/42/823870242.db2.gz BRMCGLWXFNFDSG-HOCLYGCPSA-N 1 2 386.546 4.085 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cs1)c1cccc(Cl)c1 ZINC000166372062 823876973 /nfs/dbraw/zinc/87/69/73/823876973.db2.gz RJAWZJOYOYTXHZ-LJQANCHMSA-N 1 2 391.924 4.094 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@]3(CCOC3)C2)cs1)c1cccc(Cl)c1 ZINC000166372062 823876980 /nfs/dbraw/zinc/87/69/80/823876980.db2.gz RJAWZJOYOYTXHZ-LJQANCHMSA-N 1 2 391.924 4.094 20 0 GIADLO O=C(NCC(F)(F)c1ccccc1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000462227036 823882155 /nfs/dbraw/zinc/88/21/55/823882155.db2.gz SEKMXSHCSRJJQQ-UXHICEINSA-N 1 2 396.441 4.203 20 0 GIADLO COc1cccc([C@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CCO2)c1 ZINC000167534011 823893096 /nfs/dbraw/zinc/89/30/96/823893096.db2.gz RCMMMFNZAXOZOX-HSZRJFAPSA-N 1 2 376.456 4.456 20 0 GIADLO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CCO2)c1 ZINC000167534011 823893102 /nfs/dbraw/zinc/89/31/02/823893102.db2.gz RCMMMFNZAXOZOX-HSZRJFAPSA-N 1 2 376.456 4.456 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(F)ccc3OCC3CC3)cn2c1 ZINC000192179470 823893817 /nfs/dbraw/zinc/89/38/17/823893817.db2.gz PGCBVJIBVFOHTJ-UHFFFAOYSA-N 1 2 399.491 4.443 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCS[C@@H](C)CC2)cs1)c1ccc(C)cc1 ZINC000192179922 823893908 /nfs/dbraw/zinc/89/39/08/823893908.db2.gz QZFGXJPLFKYVJB-HNNXBMFYSA-N 1 2 375.563 4.464 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCS[C@@H](C)CC2)cs1)c1ccc(C)cc1 ZINC000192179922 823893921 /nfs/dbraw/zinc/89/39/21/823893921.db2.gz QZFGXJPLFKYVJB-HNNXBMFYSA-N 1 2 375.563 4.464 20 0 GIADLO C[C@H]([NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc2n(n1)CCC2 ZINC000414071870 823901997 /nfs/dbraw/zinc/90/19/97/823901997.db2.gz KYGZZCULZQAWRQ-KSFYIVLOSA-N 1 2 389.478 4.410 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)s1 ZINC000414075606 823902757 /nfs/dbraw/zinc/90/27/57/823902757.db2.gz PEQPKYYPVKYFBK-CABCVRRESA-N 1 2 397.500 4.316 20 0 GIADLO Cc1cc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1C(=O)OC(C)(C)C ZINC000575068587 823903682 /nfs/dbraw/zinc/90/36/82/823903682.db2.gz SROARVJJHSQXKY-UHFFFAOYSA-N 1 2 398.507 4.147 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000168840474 823906634 /nfs/dbraw/zinc/90/66/34/823906634.db2.gz ZFTYAXJKZWSYLS-LBPRGKRZSA-N 1 2 384.377 4.065 20 0 GIADLO CCc1ccc([C@@H]2COCC[N@@H+]2CCCCOc2c(OC)cccc2OC)o1 ZINC000575090158 823908833 /nfs/dbraw/zinc/90/88/33/823908833.db2.gz NYDRCPTXMLUWTE-SFHVURJKSA-N 1 2 389.492 4.092 20 0 GIADLO CCc1ccc([C@@H]2COCC[N@H+]2CCCCOc2c(OC)cccc2OC)o1 ZINC000575090158 823908839 /nfs/dbraw/zinc/90/88/39/823908839.db2.gz NYDRCPTXMLUWTE-SFHVURJKSA-N 1 2 389.492 4.092 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000462284800 823912332 /nfs/dbraw/zinc/91/23/32/823912332.db2.gz CRCNPJDWFFLCDG-OAHLLOKOSA-N 1 2 385.533 4.372 20 0 GIADLO COc1cccc(C([NH2+][C@H](C)c2cc3n(n2)CCC3)c2cccc(OC)c2)c1 ZINC000414119390 823913810 /nfs/dbraw/zinc/91/38/10/823913810.db2.gz WHLOOKSSRMYWBF-MRXNPFEDSA-N 1 2 377.488 4.287 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000192254261 823917701 /nfs/dbraw/zinc/91/77/01/823917701.db2.gz FOUYXETUQLLDMS-HNNXBMFYSA-N 1 2 392.341 4.250 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCc3c2ccc(F)c3Br)s1 ZINC000414145944 823918405 /nfs/dbraw/zinc/91/84/05/823918405.db2.gz KWJPVUNZZSITQT-PELKAZGASA-N 1 2 399.285 4.169 20 0 GIADLO COC(=O)c1cnc([C@@H](C)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)s1 ZINC000414158226 823920066 /nfs/dbraw/zinc/92/00/66/823920066.db2.gz XOWILVGUVCKTCI-CYBMUJFWSA-N 1 2 382.489 4.303 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Cl)ccc1OC(F)F ZINC000192259276 823920169 /nfs/dbraw/zinc/92/01/69/823920169.db2.gz KYJCKWCLVPTCGR-UHFFFAOYSA-N 1 2 385.842 4.253 20 0 GIADLO CC(C)Cn1cc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)c(C(F)F)n1 ZINC000575134089 823920268 /nfs/dbraw/zinc/92/02/68/823920268.db2.gz RFZZPTKMXSTVAS-UHFFFAOYSA-N 1 2 387.434 4.343 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccc(OC)cc3)c2C1 ZINC000170564820 823920910 /nfs/dbraw/zinc/92/09/10/823920910.db2.gz YWXQQQNKIHNMJD-INIZCTEOSA-N 1 2 389.499 4.112 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccc(OC)cc3)c2C1 ZINC000170564820 823920915 /nfs/dbraw/zinc/92/09/15/823920915.db2.gz YWXQQQNKIHNMJD-INIZCTEOSA-N 1 2 389.499 4.112 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCC[C@]2(C1)Nc1ccccc1C(=O)N2Cc1ccco1 ZINC000414167470 823921745 /nfs/dbraw/zinc/92/17/45/823921745.db2.gz PGFGLYVBIRDOSH-ZHRRBRCNSA-N 1 2 376.460 4.135 20 0 GIADLO COCc1c(Br)cccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170629824 823922014 /nfs/dbraw/zinc/92/20/14/823922014.db2.gz KBOXSGVJBFVNRX-UHFFFAOYSA-N 1 2 386.249 4.034 20 0 GIADLO COC[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1cccc(Cl)c1 ZINC000575168291 823930260 /nfs/dbraw/zinc/93/02/60/823930260.db2.gz HXRCMUDHTMPMSL-CLCXKQKWSA-N 1 2 375.900 4.148 20 0 GIADLO CCn1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2Br)n1 ZINC000414212753 823930459 /nfs/dbraw/zinc/93/04/59/823930459.db2.gz SLWAYSIXVICFPX-JTQLQIEISA-N 1 2 387.119 4.279 20 0 GIADLO CC(C)c1nnc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)o1 ZINC000170696724 823944126 /nfs/dbraw/zinc/94/41/26/823944126.db2.gz NJFCAFIGSFEVOH-UHFFFAOYSA-N 1 2 398.536 4.052 20 0 GIADLO C[NH+](C)Cc1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000065106890 823944175 /nfs/dbraw/zinc/94/41/75/823944175.db2.gz BGGKHSLKQFXZOW-UHFFFAOYSA-N 1 2 399.292 4.153 20 0 GIADLO CO[C@@](C)(C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccccc1F ZINC000192330493 823948026 /nfs/dbraw/zinc/94/80/26/823948026.db2.gz UBGHSXNDBCITCO-HXUWFJFHSA-N 1 2 391.512 4.014 20 0 GIADLO CC(C)c1c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1ccccc1 ZINC000192334409 823949449 /nfs/dbraw/zinc/94/94/49/823949449.db2.gz OGJPNRQBTWWDEM-XLIONFOSSA-N 1 2 392.507 4.307 20 0 GIADLO CS(=O)(=O)c1ccc(CNc2[nH+]c3ccccc3n2C2CCCCC2)s1 ZINC000414303974 823954195 /nfs/dbraw/zinc/95/41/95/823954195.db2.gz CKRBAKXVDDRPQZ-UHFFFAOYSA-N 1 2 389.546 4.041 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000192351517 823956186 /nfs/dbraw/zinc/95/61/86/823956186.db2.gz BXNCTRQWRGSVST-UNMCSNQZSA-N 1 2 398.551 4.035 20 0 GIADLO C[C@@H](CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1)n1cc[nH+]c1 ZINC000575410493 823967517 /nfs/dbraw/zinc/96/75/17/823967517.db2.gz VIDOEZKSVACZFK-CABCVRRESA-N 1 2 388.899 4.141 20 0 GIADLO CCCCc1nc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)cs1 ZINC000170775347 823967700 /nfs/dbraw/zinc/96/77/00/823967700.db2.gz GMBBOOOOXZZRTD-UHFFFAOYSA-N 1 2 375.538 4.090 20 0 GIADLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000126858635 823968165 /nfs/dbraw/zinc/96/81/65/823968165.db2.gz UEZVOHXKFYRSKH-UHFFFAOYSA-N 1 2 393.441 4.243 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000126889943 823974865 /nfs/dbraw/zinc/97/48/65/823974865.db2.gz LAWWWLURHIHYAO-SFTDATJTSA-N 1 2 393.487 4.033 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000126890411 823974899 /nfs/dbraw/zinc/97/48/99/823974899.db2.gz LAWWWLURHIHYAO-RTWAWAEBSA-N 1 2 393.487 4.033 20 0 GIADLO COc1cccc(C[N@H+](C)Cc2ccc(C)nn2)c1OCc1ccccc1F ZINC000414436180 823985462 /nfs/dbraw/zinc/98/54/62/823985462.db2.gz BRPKIIYTGKHKBL-UHFFFAOYSA-N 1 2 381.451 4.144 20 0 GIADLO COc1cccc(C[N@@H+](C)Cc2ccc(C)nn2)c1OCc1ccccc1F ZINC000414436180 823985472 /nfs/dbraw/zinc/98/54/72/823985472.db2.gz BRPKIIYTGKHKBL-UHFFFAOYSA-N 1 2 381.451 4.144 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc3ncccc32)C[C@@H](C)O1 ZINC000126941410 823986097 /nfs/dbraw/zinc/98/60/97/823986097.db2.gz ZUFNGOIURSERFF-IAGOWNOFSA-N 1 2 375.472 4.096 20 0 GIADLO Cc1noc(C)c1CNc1nc(NCc2c(C)noc2C)c2ccccc2[nH+]1 ZINC000170843968 823988629 /nfs/dbraw/zinc/98/86/29/823988629.db2.gz IDMYRYGYMBKLKW-UHFFFAOYSA-N 1 2 378.436 4.064 20 0 GIADLO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2c(Cl)cccc2OC)c1 ZINC000414496719 823995365 /nfs/dbraw/zinc/99/53/65/823995365.db2.gz RKWDSMNIRIBSNB-UHFFFAOYSA-N 1 2 388.316 4.085 20 0 GIADLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C(c1ccccc1)c1ccccc1 ZINC000170897499 824002348 /nfs/dbraw/zinc/00/23/48/824002348.db2.gz MXRSLJHVFMSZPH-IBGZPJMESA-N 1 2 388.515 4.450 20 0 GIADLO CCCNC(=O)c1cccc(C[NH2+]Cc2c(F)cccc2Br)c1 ZINC000192480607 824007261 /nfs/dbraw/zinc/00/72/61/824007261.db2.gz WRJUEBLSICGAAO-UHFFFAOYSA-N 1 2 379.273 4.018 20 0 GIADLO COc1cc(C[NH2+]Cc2nnc(C3CC3)s2)c(-c2ccccc2)cc1OC ZINC000414558094 824011978 /nfs/dbraw/zinc/01/19/78/824011978.db2.gz RAYCZRIPSGJIFK-UHFFFAOYSA-N 1 2 381.501 4.390 20 0 GIADLO COCc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000192503386 824012976 /nfs/dbraw/zinc/01/29/76/824012976.db2.gz NQEXWVMHEYIBKT-LEWJYISDSA-N 1 2 376.460 4.080 20 0 GIADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000575874118 824017456 /nfs/dbraw/zinc/01/74/56/824017456.db2.gz PREYIEQHLUYODP-KVZIAJEVSA-N 1 2 383.492 4.078 20 0 GIADLO CCn1c(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)nc2cc(F)ccc21 ZINC000170960032 824019432 /nfs/dbraw/zinc/01/94/32/824019432.db2.gz ARVAUCSRAUDPHN-UHFFFAOYSA-N 1 2 390.503 4.027 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cc(-c2ccccc2)on1 ZINC000127131193 824023312 /nfs/dbraw/zinc/02/33/12/824023312.db2.gz BGZXVFFFRYKXMM-UHFFFAOYSA-N 1 2 377.448 4.049 20 0 GIADLO CCC[N@@H+]1Cc2cccc(NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)c2C1 ZINC000171028540 824042623 /nfs/dbraw/zinc/04/26/23/824042623.db2.gz ZCJMXKJWRSAESW-UHFFFAOYSA-N 1 2 379.504 4.456 20 0 GIADLO CCC[N@H+]1Cc2cccc(NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)c2C1 ZINC000171028540 824042626 /nfs/dbraw/zinc/04/26/26/824042626.db2.gz ZCJMXKJWRSAESW-UHFFFAOYSA-N 1 2 379.504 4.456 20 0 GIADLO Fc1ccc(C[N@H+](CCc2ccccn2)Cn2ccc(C(F)(F)F)n2)cc1 ZINC000171067176 824054708 /nfs/dbraw/zinc/05/47/08/824054708.db2.gz QCVHNFPTTXTZKU-UHFFFAOYSA-N 1 2 378.373 4.138 20 0 GIADLO Fc1ccc(C[N@@H+](CCc2ccccn2)Cn2ccc(C(F)(F)F)n2)cc1 ZINC000171067176 824054714 /nfs/dbraw/zinc/05/47/14/824054714.db2.gz QCVHNFPTTXTZKU-UHFFFAOYSA-N 1 2 378.373 4.138 20 0 GIADLO CCC[N@H+](CC(=O)Nc1cccc(C(C)C)c1)CC(=O)Nc1ccccc1OC ZINC000011221476 204344038 /nfs/dbraw/zinc/34/40/38/204344038.db2.gz BEOAEZJFPKLXLK-UHFFFAOYSA-N 1 2 397.519 4.108 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1cccc(C(C)C)c1)CC(=O)Nc1ccccc1OC ZINC000011221476 204344043 /nfs/dbraw/zinc/34/40/43/204344043.db2.gz BEOAEZJFPKLXLK-UHFFFAOYSA-N 1 2 397.519 4.108 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1csc(Cc2ccccc2)n1 ZINC000071965235 205300936 /nfs/dbraw/zinc/30/09/36/205300936.db2.gz YFPPLDMYBFMORE-UHFFFAOYSA-N 1 2 378.432 4.311 20 0 GIADLO Cc1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc2c(Cl)cccc12 ZINC001165009162 721710502 /nfs/dbraw/zinc/71/05/02/721710502.db2.gz QNQXRFJMKYYODG-UHFFFAOYSA-N 1 2 398.942 4.039 20 0 GIADLO Cc1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc2c(Cl)cccc12 ZINC001165009162 721710509 /nfs/dbraw/zinc/71/05/09/721710509.db2.gz QNQXRFJMKYYODG-UHFFFAOYSA-N 1 2 398.942 4.039 20 0 GIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCCC[C@@H]4c4cccnc4)c3C2)cc1 ZINC001165045952 721962659 /nfs/dbraw/zinc/96/26/59/721962659.db2.gz FAVPJNWHPVBQGX-HSZRJFAPSA-N 1 2 385.515 4.162 20 0 GIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCCC[C@@H]4c4cccnc4)c3C2)cc1 ZINC001165045952 721962662 /nfs/dbraw/zinc/96/26/62/721962662.db2.gz FAVPJNWHPVBQGX-HSZRJFAPSA-N 1 2 385.515 4.162 20 0 GIADLO O=C(Cn1cc[nH+]c1)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC000570505644 823047655 /nfs/dbraw/zinc/04/76/55/823047655.db2.gz UZURWDAFDLTXRA-UHFFFAOYSA-N 1 2 383.317 4.195 20 0 GIADLO COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000458497087 823047687 /nfs/dbraw/zinc/04/76/87/823047687.db2.gz YSFSMJGAPGGNOO-DLBZAZTESA-N 1 2 378.476 4.311 20 0 GIADLO COc1ccc(C)cc1[C@H](C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000458497091 823047748 /nfs/dbraw/zinc/04/77/48/823047748.db2.gz YSFSMJGAPGGNOO-SJORKVTESA-N 1 2 378.476 4.311 20 0 GIADLO CC(C)(C)[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1 ZINC000175840958 823052599 /nfs/dbraw/zinc/05/25/99/823052599.db2.gz SUPCCAJABHGUCN-FQEVSTJZSA-N 1 2 384.499 4.276 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000187400297 823055957 /nfs/dbraw/zinc/05/59/57/823055957.db2.gz VUJUCFARNLHUHT-KRWDZBQOSA-N 1 2 394.544 4.093 20 0 GIADLO COc1ccc2nc(C[NH2+][C@@H](C)c3cc(OC)c(OC)cc3F)sc2c1 ZINC000187428366 823061918 /nfs/dbraw/zinc/06/19/18/823061918.db2.gz AURMXPUJIWCBEP-NSHDSACASA-N 1 2 376.453 4.312 20 0 GIADLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccc(SC)cc3)CC2)cs1 ZINC000120780194 823062580 /nfs/dbraw/zinc/06/25/80/823062580.db2.gz BUOGWCBOYSZFSB-MRXNPFEDSA-N 1 2 391.606 4.280 20 0 GIADLO Brc1ccccc1C1(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CCC1 ZINC000570623449 823063828 /nfs/dbraw/zinc/06/38/28/823063828.db2.gz KOROPTMIOIEHSD-SFHVURJKSA-N 1 2 397.320 4.368 20 0 GIADLO O=C(NC[C@@H](c1ccccc1)C1CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000570626648 823064093 /nfs/dbraw/zinc/06/40/93/823064093.db2.gz BNLKWEKFUIWZOA-QFIPXVFZSA-N 1 2 392.547 4.302 20 0 GIADLO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000120830188 823073209 /nfs/dbraw/zinc/07/32/09/823073209.db2.gz RNMMIMQHAQLJQY-YOEHRIQHSA-N 1 2 388.537 4.200 20 0 GIADLO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000120830188 823073215 /nfs/dbraw/zinc/07/32/15/823073215.db2.gz RNMMIMQHAQLJQY-YOEHRIQHSA-N 1 2 388.537 4.200 20 0 GIADLO Cc1cc(Br)cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000187491754 823074391 /nfs/dbraw/zinc/07/43/91/823074391.db2.gz GKUAQKNQVBEWCD-UHFFFAOYSA-N 1 2 399.292 4.324 20 0 GIADLO C(=C\c1ccccc1-n1cccn1)\c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000570724978 823076293 /nfs/dbraw/zinc/07/62/93/823076293.db2.gz YWXISKVOOWHSPK-KTKRTIGZSA-N 1 2 380.411 4.278 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2CCCc3occc32)C[C@H](C)O1 ZINC000120870511 823080082 /nfs/dbraw/zinc/08/00/82/823080082.db2.gz NYWSSGPLHYTIMB-GQIGUUNPSA-N 1 2 383.492 4.088 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2CCCc3occc32)C[C@H](C)O1 ZINC000120870511 823080088 /nfs/dbraw/zinc/08/00/88/823080088.db2.gz NYWSSGPLHYTIMB-GQIGUUNPSA-N 1 2 383.492 4.088 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2occc2CSc2ccccc2)C1 ZINC000120872820 823080397 /nfs/dbraw/zinc/08/03/97/823080397.db2.gz CXGZXKRWPAJBOS-QGZVFWFLSA-N 1 2 395.528 4.400 20 0 GIADLO Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000056132696 823086678 /nfs/dbraw/zinc/08/66/78/823086678.db2.gz WDRNQNVFSXNFQW-QFIPXVFZSA-N 1 2 399.498 4.186 20 0 GIADLO Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056132788 823086752 /nfs/dbraw/zinc/08/67/52/823086752.db2.gz PCUPMDSCRMJBEA-NRFANRHFSA-N 1 2 385.471 4.126 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000570766652 823083971 /nfs/dbraw/zinc/08/39/71/823083971.db2.gz SMBOSBAQFGOQSR-UHFFFAOYSA-N 1 2 399.376 4.008 20 0 GIADLO C[C@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1C(F)(F)F ZINC000120927485 823087971 /nfs/dbraw/zinc/08/79/71/823087971.db2.gz INLLBTCBQAMAFY-CVEARBPZSA-N 1 2 393.453 4.414 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCc2cc(Cl)cc(Cl)c2)C1 ZINC000120940492 823090167 /nfs/dbraw/zinc/09/01/67/823090167.db2.gz XWCAMJMHDQEIDZ-HNNXBMFYSA-N 1 2 380.319 4.141 20 0 GIADLO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)c1 ZINC000056161648 823092590 /nfs/dbraw/zinc/09/25/90/823092590.db2.gz AFRBXJBBAPFADF-HSZRJFAPSA-N 1 2 393.531 4.269 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N(Cc3ccccc3)C3CC3)CC2)cc1 ZINC000176006908 823094175 /nfs/dbraw/zinc/09/41/75/823094175.db2.gz HPCNDEKXQNGSMB-UHFFFAOYSA-N 1 2 392.547 4.096 20 0 GIADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000120966793 823094424 /nfs/dbraw/zinc/09/44/24/823094424.db2.gz ZYLPNYFQNNPAOB-UHFFFAOYSA-N 1 2 393.318 4.199 20 0 GIADLO CC(C)N(Cc1ccccc1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176008423 823094718 /nfs/dbraw/zinc/09/47/18/823094718.db2.gz OMUGLNWDUPRCGD-UHFFFAOYSA-N 1 2 394.563 4.342 20 0 GIADLO Cc1cccnc1[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)C(C)C ZINC000120988883 823098183 /nfs/dbraw/zinc/09/81/83/823098183.db2.gz BNDQGPUETDBVJW-HNNXBMFYSA-N 1 2 391.269 4.282 20 0 GIADLO C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000176028531 823099629 /nfs/dbraw/zinc/09/96/29/823099629.db2.gz YBVYRRSEXDONEZ-MZNJEOGPSA-N 1 2 389.499 4.380 20 0 GIADLO CN(C)c1noc([C@@H]2CCCN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)C2)n1 ZINC000570897957 823104723 /nfs/dbraw/zinc/10/47/23/823104723.db2.gz DYCIEWIBEDAJOU-CYBMUJFWSA-N 1 2 391.397 4.087 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@H+](C)C[C@@H]3CCOC3)nc2-c2ccccc2)cc1 ZINC000176099535 823119573 /nfs/dbraw/zinc/11/95/73/823119573.db2.gz PTFZXJCWXZVSEM-SFHVURJKSA-N 1 2 394.544 4.305 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@@H+](C)C[C@@H]3CCOC3)nc2-c2ccccc2)cc1 ZINC000176099535 823119576 /nfs/dbraw/zinc/11/95/76/823119576.db2.gz PTFZXJCWXZVSEM-SFHVURJKSA-N 1 2 394.544 4.305 20 0 GIADLO CC(C)[N@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1ccccn1 ZINC000056285204 823121044 /nfs/dbraw/zinc/12/10/44/823121044.db2.gz STGLIAYXEZWYMA-UHFFFAOYSA-N 1 2 393.310 4.366 20 0 GIADLO CC(C)[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1ccccn1 ZINC000056285204 823121046 /nfs/dbraw/zinc/12/10/46/823121046.db2.gz STGLIAYXEZWYMA-UHFFFAOYSA-N 1 2 393.310 4.366 20 0 GIADLO CC[C@H]([NH2+][C@H](c1nccn1C)c1cc(OC)cc(OC)c1)c1cccc(F)c1 ZINC000187738964 823122858 /nfs/dbraw/zinc/12/28/58/823122858.db2.gz PSNQILXEQGNTQQ-SFTDATJTSA-N 1 2 383.467 4.407 20 0 GIADLO CSc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1Cl ZINC000176109910 823123077 /nfs/dbraw/zinc/12/30/77/823123077.db2.gz XCFIXHVCFLQPOF-AWEZNQCLSA-N 1 2 390.940 4.368 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c[nH+]1 ZINC000459072218 823123906 /nfs/dbraw/zinc/12/39/06/823123906.db2.gz HZJNNZZBZYVKCS-UHFFFAOYSA-N 1 2 379.504 4.288 20 0 GIADLO Cc1cccc(CN(Cc2cccc(C)n2)C(=O)NCc2c[nH+]c(C)cc2C)n1 ZINC000459082101 823125390 /nfs/dbraw/zinc/12/53/90/823125390.db2.gz RQOQTYCJQMSJLX-UHFFFAOYSA-N 1 2 389.503 4.017 20 0 GIADLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cn1c2cc(Cl)ccc2oc1=S ZINC000176122229 823127766 /nfs/dbraw/zinc/12/77/66/823127766.db2.gz LNULENRTAFDWME-DEOSSOPVSA-N 1 2 380.922 4.444 20 0 GIADLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cn1c2cc(Cl)ccc2oc1=S ZINC000176122229 823127770 /nfs/dbraw/zinc/12/77/70/823127770.db2.gz LNULENRTAFDWME-DEOSSOPVSA-N 1 2 380.922 4.444 20 0 GIADLO C[N@H+](CCC1CCOCC1)Cn1nc(-c2ccc(OC(F)F)cc2)oc1=S ZINC000121151542 823127990 /nfs/dbraw/zinc/12/79/90/823127990.db2.gz KUSNBCLOKPDWAG-UHFFFAOYSA-N 1 2 399.463 4.180 20 0 GIADLO C[N@@H+](CCC1CCOCC1)Cn1nc(-c2ccc(OC(F)F)cc2)oc1=S ZINC000121151542 823127994 /nfs/dbraw/zinc/12/79/94/823127994.db2.gz KUSNBCLOKPDWAG-UHFFFAOYSA-N 1 2 399.463 4.180 20 0 GIADLO Cc1cc(C)cc(OC[C@@H](O)CNc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000571076155 823128311 /nfs/dbraw/zinc/12/83/11/823128311.db2.gz NMKBBPMUZNLZOU-FQEVSTJZSA-N 1 2 389.499 4.070 20 0 GIADLO CC(C)Cn1c(-c2ccco2)nn(C[N@H+](C)CCC2CCOCC2)c1=S ZINC000121177765 823132811 /nfs/dbraw/zinc/13/28/11/823132811.db2.gz FXMYWEJTFKIYEU-UHFFFAOYSA-N 1 2 378.542 4.036 20 0 GIADLO CC(C)Cn1c(-c2ccco2)nn(C[N@@H+](C)CCC2CCOCC2)c1=S ZINC000121177765 823132814 /nfs/dbraw/zinc/13/28/14/823132814.db2.gz FXMYWEJTFKIYEU-UHFFFAOYSA-N 1 2 378.542 4.036 20 0 GIADLO O=C(Cc1scnc1-c1ccccc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000571152957 823141563 /nfs/dbraw/zinc/14/15/63/823141563.db2.gz CKXGTSVBBDBPGF-UHFFFAOYSA-N 1 2 392.528 4.054 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC2CCC(C(F)F)CC2)C[C@H](C)O1 ZINC000459266547 823154038 /nfs/dbraw/zinc/15/40/38/823154038.db2.gz WPZOEZBEFWONQH-SFYZZRBRSA-N 1 2 395.494 4.241 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC2CCC(C(F)F)CC2)C[C@H](C)O1 ZINC000459266547 823154043 /nfs/dbraw/zinc/15/40/43/823154043.db2.gz WPZOEZBEFWONQH-SFYZZRBRSA-N 1 2 395.494 4.241 20 0 GIADLO CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000187902595 823155547 /nfs/dbraw/zinc/15/55/47/823155547.db2.gz ORJVSFHYQKXYJW-UHFFFAOYSA-N 1 2 391.450 4.224 20 0 GIADLO O=C(c1ccc(C2SCCCS2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121298382 823157860 /nfs/dbraw/zinc/15/78/60/823157860.db2.gz SJDYCRUIOQDALI-GOSISDBHSA-N 1 2 386.542 4.244 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459316742 823160261 /nfs/dbraw/zinc/16/02/61/823160261.db2.gz RIHFHWCGGUFUKN-HJNYFJLDSA-N 1 2 396.535 4.072 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H](c1ccco1)c1ccccc1 ZINC000121309613 823160372 /nfs/dbraw/zinc/16/03/72/823160372.db2.gz FLFYIPQPILFADW-QFIPXVFZSA-N 1 2 390.487 4.254 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459320817 823160933 /nfs/dbraw/zinc/16/09/33/823160933.db2.gz TUGQJAFZTMQJLT-HLAWJBBLSA-N 1 2 396.535 4.072 20 0 GIADLO O=C1CCCCN1C1CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459375556 823175998 /nfs/dbraw/zinc/17/59/98/823175998.db2.gz WGLXXLLHSVHURS-UHFFFAOYSA-N 1 2 385.733 4.079 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1[nH]c2ccc(F)cc2c1Cl ZINC000056603142 823178673 /nfs/dbraw/zinc/17/86/73/823178673.db2.gz SNJAFHLCSXIEHU-UHFFFAOYSA-N 1 2 382.826 4.135 20 0 GIADLO Cc1c2ccccc2[nH+]c(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1C(=O)[O-] ZINC000571408438 823178876 /nfs/dbraw/zinc/17/88/76/823178876.db2.gz YLXOWNRKBOGXQV-QGZVFWFLSA-N 1 2 389.499 4.301 20 0 GIADLO CCC1(c2ccccc2)CN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000459391907 823181463 /nfs/dbraw/zinc/18/14/63/823181463.db2.gz VWNPHYORWWVIPZ-LJQANCHMSA-N 1 2 393.531 4.275 20 0 GIADLO OC1(CC[N@H+](Cc2ccccn2)Cc2ccc(Br)cc2F)CCC1 ZINC000411794645 823605418 /nfs/dbraw/zinc/60/54/18/823605418.db2.gz RZDDCPYLZXVZLD-UHFFFAOYSA-N 1 2 393.300 4.291 20 0 GIADLO OC1(CC[N@@H+](Cc2ccccn2)Cc2ccc(Br)cc2F)CCC1 ZINC000411794645 823605419 /nfs/dbraw/zinc/60/54/19/823605419.db2.gz RZDDCPYLZXVZLD-UHFFFAOYSA-N 1 2 393.300 4.291 20 0 GIADLO Cc1occc1CN(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000056623494 823184038 /nfs/dbraw/zinc/18/40/38/823184038.db2.gz ZNONKKXHDIUWPT-GOSISDBHSA-N 1 2 393.890 4.359 20 0 GIADLO CN(C)c1cc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)c2ccccc2n1 ZINC000188096791 823185800 /nfs/dbraw/zinc/18/58/00/823185800.db2.gz FHDQRAWXLDSCAA-NRFANRHFSA-N 1 2 375.451 4.042 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc(OCCc2ccccc2)c1 ZINC000056633581 823186263 /nfs/dbraw/zinc/18/62/63/823186263.db2.gz ROFDRAAPBYTPQF-UHFFFAOYSA-N 1 2 378.476 4.107 20 0 GIADLO Cc1ccc(NC(=O)NCCCCn2cc[nH+]c2)c(OCc2ccccc2)c1 ZINC000056638401 823187176 /nfs/dbraw/zinc/18/71/76/823187176.db2.gz DEOGEQNPNWSVQJ-UHFFFAOYSA-N 1 2 378.476 4.372 20 0 GIADLO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056649125 823190370 /nfs/dbraw/zinc/19/03/70/823190370.db2.gz PFWAZWFNLGTKQE-UHFFFAOYSA-N 1 2 391.475 4.097 20 0 GIADLO COCCCOc1cc(C)ccc1C[NH2+]Cc1cccc(O)c1Br ZINC000459432407 823191308 /nfs/dbraw/zinc/19/13/08/823191308.db2.gz KYUQPGPYYCCFFB-UHFFFAOYSA-N 1 2 394.309 4.168 20 0 GIADLO CCOCCOc1cc(C)ccc1C[NH2+]Cc1cccc(O)c1Br ZINC000459437525 823192213 /nfs/dbraw/zinc/19/22/13/823192213.db2.gz RVXDLJXLOXOHJH-UHFFFAOYSA-N 1 2 394.309 4.168 20 0 GIADLO CCOc1cc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc(Cl)c1O ZINC000459457932 823196175 /nfs/dbraw/zinc/19/61/75/823196175.db2.gz IUBXINGZUPBKFW-OKILXGFUSA-N 1 2 391.899 4.065 20 0 GIADLO C[C@@H](CNC(=O)[C@H](Sc1ccccc1F)c1ccccc1)Cn1cc[nH+]c1 ZINC000176404402 823201161 /nfs/dbraw/zinc/20/11/61/823201161.db2.gz PPERTGOKSDHOBQ-OXJNMPFZSA-N 1 2 383.492 4.308 20 0 GIADLO CCCCOc1ccccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000056750505 823206905 /nfs/dbraw/zinc/20/69/05/823206905.db2.gz RCDVUQMFRAGIBO-UHFFFAOYSA-N 1 2 392.503 4.475 20 0 GIADLO O=C(Nc1cccc(-c2nccs2)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000056778172 823212255 /nfs/dbraw/zinc/21/22/55/823212255.db2.gz ISOWZEGIXHYXHZ-UHFFFAOYSA-N 1 2 384.530 4.221 20 0 GIADLO CCS[C@H](C)c1noc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459516196 823209263 /nfs/dbraw/zinc/20/92/63/823209263.db2.gz BIFLHXMMVZYHGS-CRAIPNDOSA-N 1 2 375.538 4.267 20 0 GIADLO O=C(CCSc1ccccn1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000176460913 823212399 /nfs/dbraw/zinc/21/23/99/823212399.db2.gz NCKJOPBLQHXPBM-UHFFFAOYSA-N 1 2 378.501 4.402 20 0 GIADLO O=C1C[C@]2(CC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C2)Oc2ccccc21 ZINC000571620769 823210199 /nfs/dbraw/zinc/21/01/99/823210199.db2.gz SGNZWYWPIDUTFL-QFIPXVFZSA-N 1 2 378.403 4.091 20 0 GIADLO O=C1C[C@]2(CC[N@H+](Cc3coc(-c4cccc(F)c4)n3)C2)Oc2ccccc21 ZINC000571620769 823210207 /nfs/dbraw/zinc/21/02/07/823210207.db2.gz SGNZWYWPIDUTFL-QFIPXVFZSA-N 1 2 378.403 4.091 20 0 GIADLO CCOc1cc(C[NH+]2CCC(Oc3ncccc3F)CC2)cc(Cl)c1O ZINC000459524462 823211103 /nfs/dbraw/zinc/21/11/03/823211103.db2.gz UGEUKTGPLIIQBZ-UHFFFAOYSA-N 1 2 380.847 4.022 20 0 GIADLO O=C(Nc1ccc(-c2nncs2)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000459525160 823211242 /nfs/dbraw/zinc/21/12/42/823211242.db2.gz BTIXJQRDQPJKFG-UHFFFAOYSA-N 1 2 396.520 4.126 20 0 GIADLO CC(=O)CCCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000121593079 823212712 /nfs/dbraw/zinc/21/27/12/823212712.db2.gz MIRFJZFFWCRFHT-CQSZACIVSA-N 1 2 380.945 4.395 20 0 GIADLO Cc1cccn2cc(CCNC(=O)c3ccc(Cl)cc3Br)[nH+]c12 ZINC000121619165 823217150 /nfs/dbraw/zinc/21/71/50/823217150.db2.gz AZISPYNMMNJUTF-UHFFFAOYSA-N 1 2 392.684 4.031 20 0 GIADLO Cc1cccc([C@@H]2CCCN2C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000056832167 823220318 /nfs/dbraw/zinc/22/03/18/823220318.db2.gz VSCIXESSEVRQDM-QFIPXVFZSA-N 1 2 388.515 4.329 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1nc(-c2ccccc2)cs1 ZINC000409453306 823222420 /nfs/dbraw/zinc/22/24/20/823222420.db2.gz SUSIQIDWVZHMGL-UHFFFAOYSA-N 1 2 378.432 4.065 20 0 GIADLO Cc1cccn2cc(C[S@](=O)Cc3ccc(OCC(F)(F)F)cc3)[nH+]c12 ZINC000176505853 823223818 /nfs/dbraw/zinc/22/38/18/823223818.db2.gz PCXCCIBEKXQHJP-AREMUKBSSA-N 1 2 382.407 4.033 20 0 GIADLO COc1cc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)c2ccccc2n1 ZINC000571721190 823224920 /nfs/dbraw/zinc/22/49/20/823224920.db2.gz QODNKPOYWVHOTL-UHFFFAOYSA-N 1 2 383.411 4.205 20 0 GIADLO Cc1c2ccccc2oc1[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000056873968 823226570 /nfs/dbraw/zinc/22/65/70/823226570.db2.gz DMBYNGRXYVSYDS-INIZCTEOSA-N 1 2 378.476 4.165 20 0 GIADLO Brc1cccc(-c2nc(C[NH+]3CC4(C3)CCCOC4)cs2)c1 ZINC000459607566 823228780 /nfs/dbraw/zinc/22/87/80/823228780.db2.gz OXGFEUMZIUCLBJ-UHFFFAOYSA-N 1 2 379.323 4.185 20 0 GIADLO CC(C)Oc1ccc([C@H](C)NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056895251 823229095 /nfs/dbraw/zinc/22/90/95/823229095.db2.gz VPSHJNRETZCSPT-KRWDZBQOSA-N 1 2 378.476 4.220 20 0 GIADLO CC(C)Oc1cccc([C@H](C)NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000056895380 823229369 /nfs/dbraw/zinc/22/93/69/823229369.db2.gz WLEUTRONHTUHMI-KRWDZBQOSA-N 1 2 378.476 4.220 20 0 GIADLO C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(OC(F)F)c1 ZINC000056895357 823229373 /nfs/dbraw/zinc/22/93/73/823229373.db2.gz VVKHPEKMEXDUQB-CQSZACIVSA-N 1 2 386.402 4.034 20 0 GIADLO CC(C)=CCC[C@@H](C)CC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000571765353 823231831 /nfs/dbraw/zinc/23/18/31/823231831.db2.gz ZBBWDUNXVBDSPG-LJQANCHMSA-N 1 2 385.552 4.062 20 0 GIADLO Cc1c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cccc1-c1ccccn1 ZINC000121748007 823242351 /nfs/dbraw/zinc/24/23/51/823242351.db2.gz DAFJGQBODVZIKR-UHFFFAOYSA-N 1 2 396.494 4.274 20 0 GIADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057024302 823240278 /nfs/dbraw/zinc/24/02/78/823240278.db2.gz UHPANZMASNUMJG-MSOLQXFVSA-N 1 2 381.520 4.055 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC)c(SC)c1 ZINC000459672943 823247743 /nfs/dbraw/zinc/24/77/43/823247743.db2.gz LLJKYLKIWKETHW-UHFFFAOYSA-N 1 2 376.526 4.120 20 0 GIADLO C[C@H]1CCN(C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000188485393 823248977 /nfs/dbraw/zinc/24/89/77/823248977.db2.gz ITQSMTRGETYYFR-GUYCJALGSA-N 1 2 395.400 4.182 20 0 GIADLO CC(C)Oc1ncccc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000571876623 823249129 /nfs/dbraw/zinc/24/91/29/823249129.db2.gz JAZOHRKSTGLLAQ-UHFFFAOYSA-N 1 2 376.460 4.321 20 0 GIADLO CCOC[C@H]1CCCC[N@@H+]1Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000459680641 823249243 /nfs/dbraw/zinc/24/92/43/823249243.db2.gz WABVIICZHXLELG-LJQANCHMSA-N 1 2 391.512 4.358 20 0 GIADLO CCOC[C@H]1CCCC[N@H+]1Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000459680641 823249249 /nfs/dbraw/zinc/24/92/49/823249249.db2.gz WABVIICZHXLELG-LJQANCHMSA-N 1 2 391.512 4.358 20 0 GIADLO CCOC[C@H]1CCCC[N@@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000459709396 823254846 /nfs/dbraw/zinc/25/48/46/823254846.db2.gz KVUIVAAFHHIWOG-MRXNPFEDSA-N 1 2 383.517 4.455 20 0 GIADLO CCOC[C@H]1CCCC[N@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000459709396 823254850 /nfs/dbraw/zinc/25/48/50/823254850.db2.gz KVUIVAAFHHIWOG-MRXNPFEDSA-N 1 2 383.517 4.455 20 0 GIADLO C[C@@H](CCCC(F)(F)F)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409618870 823263120 /nfs/dbraw/zinc/26/31/20/823263120.db2.gz YYZKJBIAYDPGRH-LSDHHAIUSA-N 1 2 386.462 4.230 20 0 GIADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000571966027 823261680 /nfs/dbraw/zinc/26/16/80/823261680.db2.gz COAJWUDWVLETRX-QGZVFWFLSA-N 1 2 387.405 4.332 20 0 GIADLO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000572037444 823272413 /nfs/dbraw/zinc/27/24/13/823272413.db2.gz ICCKWHHQIXNRJI-BLVKFPJESA-N 1 2 384.277 4.451 20 0 GIADLO COc1cc(Br)c(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OC ZINC000459937058 823273301 /nfs/dbraw/zinc/27/33/01/823273301.db2.gz WNTNBFIDCURPAR-UHFFFAOYSA-N 1 2 379.254 4.039 20 0 GIADLO C[C@H](c1ccccc1Cl)[N@@H+](C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000121936137 823280528 /nfs/dbraw/zinc/28/05/28/823280528.db2.gz JABGJMKQBOAWRX-VLIAUNLRSA-N 1 2 393.936 4.003 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC(c4ccsc4)CC3)cn2c1 ZINC000188627521 823275749 /nfs/dbraw/zinc/27/57/49/823275749.db2.gz YPQWOXNCOZPQTG-UHFFFAOYSA-N 1 2 385.558 4.344 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccnc2c(Br)ccc(F)c12 ZINC000409659414 823276135 /nfs/dbraw/zinc/27/61/35/823276135.db2.gz ZLTZKGFVFTWBAN-UHFFFAOYSA-N 1 2 389.272 4.306 20 0 GIADLO C[C@H](c1ccccc1Cl)[N@H+](C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000121936137 823280524 /nfs/dbraw/zinc/28/05/24/823280524.db2.gz JABGJMKQBOAWRX-VLIAUNLRSA-N 1 2 393.936 4.003 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000057373663 823283975 /nfs/dbraw/zinc/28/39/75/823283975.db2.gz DPPGQPMMADGBDP-FQEVSTJZSA-N 1 2 382.895 4.406 20 0 GIADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+](C)Cc1cccc(F)c1 ZINC000007004327 817737953 /nfs/dbraw/zinc/73/79/53/817737953.db2.gz LJFODRKUASXAPQ-QWHCGFSZSA-N 1 2 385.508 4.442 20 0 GIADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+](C)Cc1cccc(F)c1 ZINC000007004327 817737958 /nfs/dbraw/zinc/73/79/58/817737958.db2.gz LJFODRKUASXAPQ-QWHCGFSZSA-N 1 2 385.508 4.442 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000057374973 823284308 /nfs/dbraw/zinc/28/43/08/823284308.db2.gz XKSQMDTUHMWPCU-FQEVSTJZSA-N 1 2 382.895 4.406 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000057377509 823284796 /nfs/dbraw/zinc/28/47/96/823284796.db2.gz WXPMAIRRWSZRAE-JOCHJYFZSA-N 1 2 388.471 4.498 20 0 GIADLO Cc1cccc(OCCCCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000057389030 823288056 /nfs/dbraw/zinc/28/80/56/823288056.db2.gz QSGRTIANGGEBBN-UHFFFAOYSA-N 1 2 377.488 4.105 20 0 GIADLO C[C@H]1CCN(c2ccnc3c(Br)ccc(F)c32)C[C@@H]1n1cc[nH+]c1 ZINC000409716712 823289514 /nfs/dbraw/zinc/28/95/14/823289514.db2.gz CQBOTSOUKGJIQE-LRDDRELGSA-N 1 2 389.272 4.420 20 0 GIADLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000176773243 823289553 /nfs/dbraw/zinc/28/95/53/823289553.db2.gz CWQVQXNBQGYTLH-ZDUSSCGKSA-N 1 2 393.834 4.067 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000007285657 817810691 /nfs/dbraw/zinc/81/06/91/817810691.db2.gz JFENROAOOWPWJR-UHFFFAOYSA-N 1 2 390.512 4.442 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000007285657 817810701 /nfs/dbraw/zinc/81/07/01/817810701.db2.gz JFENROAOOWPWJR-UHFFFAOYSA-N 1 2 390.512 4.442 20 0 GIADLO Cc1cn2c([nH+]1)[C@@H](CNc1ccnc3c(Br)ccc(F)c13)CCC2 ZINC000409733549 823294228 /nfs/dbraw/zinc/29/42/28/823294228.db2.gz RHEHVRUBEIHDEK-GFCCVEGCSA-N 1 2 389.272 4.053 20 0 GIADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188769756 823301110 /nfs/dbraw/zinc/30/11/10/823301110.db2.gz ZHHLTTBFTAMHAL-IBGZPJMESA-N 1 2 384.277 4.011 20 0 GIADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188769756 823301118 /nfs/dbraw/zinc/30/11/18/823301118.db2.gz ZHHLTTBFTAMHAL-IBGZPJMESA-N 1 2 384.277 4.011 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N(Cc1ccccc1)CC1CCC1 ZINC000057481581 823302652 /nfs/dbraw/zinc/30/26/52/823302652.db2.gz KKUFHVFGTNKDMT-UHFFFAOYSA-N 1 2 378.520 4.194 20 0 GIADLO Cc1cn2cc(NC(=O)c3nn(-c4ccc(C)cc4)c4c3CCCC4)ccc2[nH+]1 ZINC000409755197 823299668 /nfs/dbraw/zinc/29/96/68/823299668.db2.gz VYQSGIFLKZYIOB-UHFFFAOYSA-N 1 2 385.471 4.268 20 0 GIADLO Cc1c(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)sc2ccc(Cl)cc12 ZINC000572228227 823304593 /nfs/dbraw/zinc/30/45/93/823304593.db2.gz NBYBIZKBUIEUTH-OAHLLOKOSA-N 1 2 388.924 4.434 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(F)cc1F ZINC000008261795 818025733 /nfs/dbraw/zinc/02/57/33/818025733.db2.gz GKMWDZMFZCITQS-CYBMUJFWSA-N 1 2 387.455 4.393 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(F)cc1F ZINC000008261795 818025739 /nfs/dbraw/zinc/02/57/39/818025739.db2.gz GKMWDZMFZCITQS-CYBMUJFWSA-N 1 2 387.455 4.393 20 0 GIADLO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000008261662 818025790 /nfs/dbraw/zinc/02/57/90/818025790.db2.gz WLBBFIURMGAOJI-KRWDZBQOSA-N 1 2 393.512 4.317 20 0 GIADLO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000008261662 818025797 /nfs/dbraw/zinc/02/57/97/818025797.db2.gz WLBBFIURMGAOJI-KRWDZBQOSA-N 1 2 393.512 4.317 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1C ZINC000057612061 823314445 /nfs/dbraw/zinc/31/44/45/823314445.db2.gz BRHHKXQGWDOLGW-QGZVFWFLSA-N 1 2 385.508 4.397 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCc2ccccc2C(F)(F)F)c1C ZINC000057617948 823315402 /nfs/dbraw/zinc/31/54/02/823315402.db2.gz NWIMYOZRFCGRTO-UHFFFAOYSA-N 1 2 395.425 4.110 20 0 GIADLO CCc1ccc(N(C(C)=O)c2nc(CSc3nc(N)cc(C)[nH+]3)cs2)cc1 ZINC000057649150 823318607 /nfs/dbraw/zinc/31/86/07/823318607.db2.gz NWIALKYEOLSLND-UHFFFAOYSA-N 1 2 399.545 4.363 20 0 GIADLO COc1cc(O)c(C[N@@H+]2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1OC ZINC000188861531 823318712 /nfs/dbraw/zinc/31/87/12/823318712.db2.gz KQAJYHKAXAQDKQ-RNODOKPDSA-N 1 2 377.868 4.025 20 0 GIADLO COc1cc(O)c(C[N@H+]2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1OC ZINC000188861531 823318718 /nfs/dbraw/zinc/31/87/18/823318718.db2.gz KQAJYHKAXAQDKQ-RNODOKPDSA-N 1 2 377.868 4.025 20 0 GIADLO CCOc1ccc(-c2nc(CC)c(-c3nc(Cc4c[nH+]cn4C)no3)s2)cc1 ZINC000572323114 823320033 /nfs/dbraw/zinc/32/00/33/823320033.db2.gz YMMKCVMPJZIRMX-UHFFFAOYSA-N 1 2 395.488 4.146 20 0 GIADLO CC[C@@H](Oc1ccccc1C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176907973 823321755 /nfs/dbraw/zinc/32/17/55/823321755.db2.gz LEFIZALNRKFJDK-JOCHJYFZSA-N 1 2 395.547 4.004 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 ZINC000014327254 818235168 /nfs/dbraw/zinc/23/51/68/818235168.db2.gz QJXKNCCLXUOUQU-INIZCTEOSA-N 1 2 398.478 4.065 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 ZINC000014324994 818235200 /nfs/dbraw/zinc/23/52/00/818235200.db2.gz MWFFCEQTRGWESY-UHFFFAOYSA-N 1 2 394.515 4.352 20 0 GIADLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000014325352 818235277 /nfs/dbraw/zinc/23/52/77/818235277.db2.gz PDBXQGAXUYIKFF-QGZVFWFLSA-N 1 2 394.515 4.180 20 0 GIADLO C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)c1cn(-c2ccccc2)nn1 ZINC000409843439 823323042 /nfs/dbraw/zinc/32/30/42/823323042.db2.gz NVJFPWADQJMYIB-GUYCJALGSA-N 1 2 399.292 4.204 20 0 GIADLO CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000014809230 818269401 /nfs/dbraw/zinc/26/94/01/818269401.db2.gz MCDADELRJVPGHK-KRWDZBQOSA-N 1 2 380.488 4.007 20 0 GIADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000014923605 818277048 /nfs/dbraw/zinc/27/70/48/818277048.db2.gz OCQGGEKULBYZAF-AWEZNQCLSA-N 1 2 391.309 4.225 20 0 GIADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000014923605 818277054 /nfs/dbraw/zinc/27/70/54/818277054.db2.gz OCQGGEKULBYZAF-AWEZNQCLSA-N 1 2 391.309 4.225 20 0 GIADLO O=C(NCc1ccc(Cl)cc1F)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000188909186 823326677 /nfs/dbraw/zinc/32/66/77/823326677.db2.gz BQMAPOASCPTJHE-UHFFFAOYSA-N 1 2 388.830 4.076 20 0 GIADLO Cc1nnc(Sc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)s1 ZINC000015165305 818296721 /nfs/dbraw/zinc/29/67/21/818296721.db2.gz PMSLJJSYFMAHBS-UHFFFAOYSA-N 1 2 377.564 4.215 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)CCOc2ccccc2)o1 ZINC000015293680 818307372 /nfs/dbraw/zinc/30/73/72/818307372.db2.gz BEYCTIVXMFIPGN-UHFFFAOYSA-N 1 2 390.443 4.211 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)CCOc2ccccc2)o1 ZINC000015293680 818307383 /nfs/dbraw/zinc/30/73/83/818307383.db2.gz BEYCTIVXMFIPGN-UHFFFAOYSA-N 1 2 390.443 4.211 20 0 GIADLO CCC[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1OC)c1ccccc1 ZINC000015298397 818308331 /nfs/dbraw/zinc/30/83/31/818308331.db2.gz QMZIQQBPEUAZBM-UWJYYQICSA-N 1 2 384.520 4.182 20 0 GIADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC)c1ccccc1 ZINC000015298397 818308341 /nfs/dbraw/zinc/30/83/41/818308341.db2.gz QMZIQQBPEUAZBM-UWJYYQICSA-N 1 2 384.520 4.182 20 0 GIADLO COC(=O)CCCc1nc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)no1 ZINC000122281272 823331869 /nfs/dbraw/zinc/33/18/69/823331869.db2.gz YZWDFBXTPOYSFF-JUWJPQTCSA-N 1 2 383.492 4.023 20 0 GIADLO COC(=O)CCCc1nc(C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)no1 ZINC000122281272 823331876 /nfs/dbraw/zinc/33/18/76/823331876.db2.gz YZWDFBXTPOYSFF-JUWJPQTCSA-N 1 2 383.492 4.023 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000015377988 818319733 /nfs/dbraw/zinc/31/97/33/818319733.db2.gz YTYSBQCHSLXVAE-GOSISDBHSA-N 1 2 383.511 4.407 20 0 GIADLO O=C(CCc1cc2ccccc2o1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000409859918 823328450 /nfs/dbraw/zinc/32/84/50/823328450.db2.gz ONGKRBDBDDLPJQ-UHFFFAOYSA-N 1 2 375.428 4.280 20 0 GIADLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015452314 818327113 /nfs/dbraw/zinc/32/71/13/818327113.db2.gz OZTPFYDPHBPORJ-CRAIPNDOSA-N 1 2 395.528 4.319 20 0 GIADLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015452314 818327117 /nfs/dbraw/zinc/32/71/17/818327117.db2.gz OZTPFYDPHBPORJ-CRAIPNDOSA-N 1 2 395.528 4.319 20 0 GIADLO CCC[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000015571477 818339827 /nfs/dbraw/zinc/33/98/27/818339827.db2.gz GIOIFWCWBOGUCU-CVDCTZTESA-N 1 2 390.531 4.350 20 0 GIADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000015571477 818339834 /nfs/dbraw/zinc/33/98/34/818339834.db2.gz GIOIFWCWBOGUCU-CVDCTZTESA-N 1 2 390.531 4.350 20 0 GIADLO Cc1cc(C)cc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000015767392 818367068 /nfs/dbraw/zinc/36/70/68/818367068.db2.gz FZNZBPGRJABQOM-UHFFFAOYSA-N 1 2 376.422 4.280 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)CC2CC(c3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000409880801 823334745 /nfs/dbraw/zinc/33/47/45/823334745.db2.gz SQFFLDKKFWMSFM-QKNAFPEKSA-N 1 2 384.470 4.410 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)CC2CC(c3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000409880801 823334752 /nfs/dbraw/zinc/33/47/52/823334752.db2.gz SQFFLDKKFWMSFM-QKNAFPEKSA-N 1 2 384.470 4.410 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000188968451 823335638 /nfs/dbraw/zinc/33/56/38/823335638.db2.gz KOKPUTVJLSXANV-UHFFFAOYSA-N 1 2 391.368 4.062 20 0 GIADLO Clc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000016339469 818425791 /nfs/dbraw/zinc/42/57/91/818425791.db2.gz NCFQZCHFQJIOGL-QGZVFWFLSA-N 1 2 397.862 4.498 20 0 GIADLO Clc1cccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000016339469 818425797 /nfs/dbraw/zinc/42/57/97/818425797.db2.gz NCFQZCHFQJIOGL-QGZVFWFLSA-N 1 2 397.862 4.498 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(F)ccc1OC ZINC000016390197 818433844 /nfs/dbraw/zinc/43/38/44/818433844.db2.gz SCINJHPGVWUVQZ-UHFFFAOYSA-N 1 2 384.373 4.102 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(F)ccc1OC ZINC000016390197 818433851 /nfs/dbraw/zinc/43/38/51/818433851.db2.gz SCINJHPGVWUVQZ-UHFFFAOYSA-N 1 2 384.373 4.102 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)CC2 ZINC000016418758 818440519 /nfs/dbraw/zinc/44/05/19/818440519.db2.gz QFHZYYOGTMRJTG-SFHVURJKSA-N 1 2 396.531 4.062 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)CC2 ZINC000016418758 818440522 /nfs/dbraw/zinc/44/05/22/818440522.db2.gz QFHZYYOGTMRJTG-SFHVURJKSA-N 1 2 396.531 4.062 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C/C=C/c1cccc(F)c1 ZINC000176974358 823339795 /nfs/dbraw/zinc/33/97/95/823339795.db2.gz UAQOCAPORPDOFF-SOFGYWHQSA-N 1 2 381.495 4.389 20 0 GIADLO CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1ccc3[nH+]c(C)cn3c1)O[C@@H](C)C2 ZINC000409906211 823341077 /nfs/dbraw/zinc/34/10/77/823341077.db2.gz DNZSKIPMABBVOT-UCLAIMLFSA-N 1 2 391.471 4.107 20 0 GIADLO C[C@H](NC(=O)C[N@H+](Cc1ccncc1)C1CC1)c1ccc(Cl)cc1Cl ZINC000122343775 823341397 /nfs/dbraw/zinc/34/13/97/823341397.db2.gz BSASIOHGGYOVDF-ZDUSSCGKSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@H](NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)c1ccc(Cl)cc1Cl ZINC000122343775 823341402 /nfs/dbraw/zinc/34/14/02/823341402.db2.gz BSASIOHGGYOVDF-ZDUSSCGKSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@@H](NC(=O)C[N@H+](Cc1ccncc1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000122357120 823343310 /nfs/dbraw/zinc/34/33/10/823343310.db2.gz RNRGQFRGYMAVHK-CYBMUJFWSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@@H](NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000122357120 823343317 /nfs/dbraw/zinc/34/33/17/823343317.db2.gz RNRGQFRGYMAVHK-CYBMUJFWSA-N 1 2 378.303 4.230 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc(Cl)ccn1 ZINC000021065948 818650586 /nfs/dbraw/zinc/65/05/86/818650586.db2.gz IHILUKWOBZGQKM-UHFFFAOYSA-N 1 2 384.892 4.002 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc(Cl)ccn1 ZINC000021065948 818650590 /nfs/dbraw/zinc/65/05/90/818650590.db2.gz IHILUKWOBZGQKM-UHFFFAOYSA-N 1 2 384.892 4.002 20 0 GIADLO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2sc3cc(F)ccc3c2Cl)C[C@H](C)O1 ZINC000021057138 818650890 /nfs/dbraw/zinc/65/08/90/818650890.db2.gz LOHXXDUEPIHBPO-RYUDHWBXSA-N 1 2 398.931 4.311 20 0 GIADLO COc1ccccc1CNC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000058073100 823359647 /nfs/dbraw/zinc/35/96/47/823359647.db2.gz HKRYAZSVWJDUOC-NRFANRHFSA-N 1 2 398.553 4.082 20 0 GIADLO COc1ccccc1CNC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000058073100 823359653 /nfs/dbraw/zinc/35/96/53/823359653.db2.gz HKRYAZSVWJDUOC-NRFANRHFSA-N 1 2 398.553 4.082 20 0 GIADLO COc1ccc(-c2nc(C[NH+]3CCN(c4cccc(C)c4)CC3)cs2)cc1 ZINC000022012633 818763744 /nfs/dbraw/zinc/76/37/44/818763744.db2.gz DGXLSTDHFYSYPD-UHFFFAOYSA-N 1 2 379.529 4.449 20 0 GIADLO Cc1cc(N2CCN(C(=O)N[C@@H](c3ccccc3)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000022426005 818805169 /nfs/dbraw/zinc/80/51/69/818805169.db2.gz RBMJCSZQEVQOKR-OAQYLSRUSA-N 1 2 395.551 4.137 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000122487968 823361749 /nfs/dbraw/zinc/36/17/49/823361749.db2.gz RNOVERAFUIYQEL-UHFFFAOYSA-N 1 2 382.439 4.155 20 0 GIADLO Cc1cc(C(=O)NC2CC[NH+](Cc3cscc3Br)CC2)c(C)o1 ZINC000572562841 823361775 /nfs/dbraw/zinc/36/17/75/823361775.db2.gz CLMOIKYGIWAXDB-UHFFFAOYSA-N 1 2 397.338 4.115 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000122489218 823361977 /nfs/dbraw/zinc/36/19/77/823361977.db2.gz QMWLMBRODCWOLO-IBGZPJMESA-N 1 2 384.911 4.251 20 0 GIADLO C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022743534 818854786 /nfs/dbraw/zinc/85/47/86/818854786.db2.gz AETNNGBWTXCCMO-HNNXBMFYSA-N 1 2 390.936 4.292 20 0 GIADLO Cc1ccccc1OCCC[N@@H+](C)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000058206136 823368779 /nfs/dbraw/zinc/36/87/79/823368779.db2.gz KRLCDJWDJMZZDF-UHFFFAOYSA-N 1 2 388.562 4.260 20 0 GIADLO Cc1ccccc1OCCC[N@H+](C)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000058206136 823368786 /nfs/dbraw/zinc/36/87/86/823368786.db2.gz KRLCDJWDJMZZDF-UHFFFAOYSA-N 1 2 388.562 4.260 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000022772693 818859055 /nfs/dbraw/zinc/85/90/55/818859055.db2.gz VVWAUXIOPCJYLF-YVWYTEFXSA-N 1 2 391.559 4.270 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022787808 818860659 /nfs/dbraw/zinc/86/06/59/818860659.db2.gz SMNRJGFXLPNRAL-VQFGERMISA-N 1 2 397.950 4.306 20 0 GIADLO Cc1noc([C@H](C)Sc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000022988266 818885138 /nfs/dbraw/zinc/88/51/38/818885138.db2.gz DZROJRYXKYXCBB-GJZGRUSLSA-N 1 2 398.536 4.359 20 0 GIADLO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000023375799 818929779 /nfs/dbraw/zinc/92/97/79/818929779.db2.gz OKTBUPDIIXGJMH-UHFFFAOYSA-N 1 2 391.540 4.171 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3cccc4[nH]ccc43)n2)C1 ZINC000410034414 823375543 /nfs/dbraw/zinc/37/55/43/823375543.db2.gz PRSDLYJMPLMONJ-HNNXBMFYSA-N 1 2 397.548 4.221 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3cccc4[nH]ccc43)n2)C1 ZINC000410034414 823375550 /nfs/dbraw/zinc/37/55/50/823375550.db2.gz PRSDLYJMPLMONJ-HNNXBMFYSA-N 1 2 397.548 4.221 20 0 GIADLO COc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c(OC)cc1Cl ZINC000023668450 818971647 /nfs/dbraw/zinc/97/16/47/818971647.db2.gz QIGQVWLDFMYASF-NSHDSACASA-N 1 2 398.837 4.267 20 0 GIADLO COc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c(OC)cc1Cl ZINC000023668450 818971654 /nfs/dbraw/zinc/97/16/54/818971654.db2.gz QIGQVWLDFMYASF-NSHDSACASA-N 1 2 398.837 4.267 20 0 GIADLO CC1(C)C[C@H](C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c2ccccc2O1 ZINC000572656813 823376951 /nfs/dbraw/zinc/37/69/51/823376951.db2.gz TUPSXFIHTCJKHG-LNLFQRSKSA-N 1 2 379.504 4.266 20 0 GIADLO O[C@@H](C[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1)c1ccco1 ZINC000177152838 823384798 /nfs/dbraw/zinc/38/47/98/823384798.db2.gz UAGPEQVBXVYTOY-IBGZPJMESA-N 1 2 375.428 4.065 20 0 GIADLO O[C@@H](C[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1)c1ccco1 ZINC000177152838 823384801 /nfs/dbraw/zinc/38/48/01/823384801.db2.gz UAGPEQVBXVYTOY-IBGZPJMESA-N 1 2 375.428 4.065 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000122645492 823387037 /nfs/dbraw/zinc/38/70/37/823387037.db2.gz OGJMETGYGFKOON-UHFFFAOYSA-N 1 2 376.456 4.445 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1CCC(F)(F)CC1 ZINC000410089866 823387778 /nfs/dbraw/zinc/38/77/78/823387778.db2.gz USYLWIFMAMHYEF-UHFFFAOYSA-N 1 2 394.510 4.155 20 0 GIADLO Brc1ccc(-c2nccc(CSCCn3cc[nH+]c3)n2)cc1 ZINC000122649249 823387880 /nfs/dbraw/zinc/38/78/80/823387880.db2.gz PGAXJRRHZUYTLL-UHFFFAOYSA-N 1 2 375.295 4.036 20 0 GIADLO COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000460452493 823393954 /nfs/dbraw/zinc/39/39/54/823393954.db2.gz SLLSDUJYIHJISE-UHFFFAOYSA-N 1 2 399.834 4.144 20 0 GIADLO Cc1nc([C@@H](C)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)no1 ZINC000572767047 823394993 /nfs/dbraw/zinc/39/49/93/823394993.db2.gz XWQGZCGPOYCRNU-IERDGZPVSA-N 1 2 396.922 4.500 20 0 GIADLO CCc1c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1ccccc1Cl ZINC000189340831 823396960 /nfs/dbraw/zinc/39/69/60/823396960.db2.gz IMZNJLZVRHSRLW-MGPUTAFESA-N 1 2 397.910 4.008 20 0 GIADLO CCc1c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1ccccc1Cl ZINC000189340855 823397044 /nfs/dbraw/zinc/39/70/44/823397044.db2.gz IMZNJLZVRHSRLW-FOIQADDNSA-N 1 2 397.910 4.008 20 0 GIADLO CCc1c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1ccccc1Cl ZINC000189340897 823397260 /nfs/dbraw/zinc/39/72/60/823397260.db2.gz IMZNJLZVRHSRLW-QRWLVFNGSA-N 1 2 397.910 4.008 20 0 GIADLO COCCn1c(C)c(C)n(C[N@H+](C)Cc2ccc(SC)c(OC)c2)c1=S ZINC000058540610 823406534 /nfs/dbraw/zinc/40/65/34/823406534.db2.gz QGVOYLXBWYPNLM-UHFFFAOYSA-N 1 2 395.594 4.102 20 0 GIADLO COCCn1c(C)c(C)n(C[N@@H+](C)Cc2ccc(SC)c(OC)c2)c1=S ZINC000058540610 823406535 /nfs/dbraw/zinc/40/65/35/823406535.db2.gz QGVOYLXBWYPNLM-UHFFFAOYSA-N 1 2 395.594 4.102 20 0 GIADLO CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000058570786 823410706 /nfs/dbraw/zinc/41/07/06/823410706.db2.gz WOPRYJOICDXYPM-VXKWHMMOSA-N 1 2 392.547 4.418 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2cccc(Br)c2)CC1 ZINC000058578864 823411859 /nfs/dbraw/zinc/41/18/59/823411859.db2.gz IWQFWNXGGBCWRT-UHFFFAOYSA-N 1 2 379.342 4.064 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2cccc(Br)c2)CC1 ZINC000058578864 823411862 /nfs/dbraw/zinc/41/18/62/823411862.db2.gz IWQFWNXGGBCWRT-UHFFFAOYSA-N 1 2 379.342 4.064 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc2ccc(Cl)cc2n1 ZINC000572887461 823414012 /nfs/dbraw/zinc/41/40/12/823414012.db2.gz RMFDDWYFIGMGMS-UHFFFAOYSA-N 1 2 376.847 4.063 20 0 GIADLO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC(F)(F)c2ccc(F)cc2)cc1 ZINC000572900698 823416679 /nfs/dbraw/zinc/41/66/79/823416679.db2.gz OIACLXFZOBBWFN-CYBMUJFWSA-N 1 2 386.439 4.030 20 0 GIADLO C[C@H](c1ccco1)N(C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000122824537 823418594 /nfs/dbraw/zinc/41/85/94/823418594.db2.gz IEQJEFILICJYCR-QGZVFWFLSA-N 1 2 396.535 4.250 20 0 GIADLO O=C(Cc1coc2cc(F)ccc12)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000572931201 823422448 /nfs/dbraw/zinc/42/24/48/823422448.db2.gz FYQFKHOGPOZNJW-UHFFFAOYSA-N 1 2 381.451 4.053 20 0 GIADLO CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000189478128 823426164 /nfs/dbraw/zinc/42/61/64/823426164.db2.gz ULAPQHHGHRZJAU-UHFFFAOYSA-N 1 2 375.394 4.238 20 0 GIADLO COc1cccc([C@H](C)CC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000177306926 823428306 /nfs/dbraw/zinc/42/83/06/823428306.db2.gz XZOJVEANWGXGSK-GOSISDBHSA-N 1 2 395.547 4.040 20 0 GIADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024747678 819872717 /nfs/dbraw/zinc/87/27/17/819872717.db2.gz IYNOZLACZDNQMD-HNNXBMFYSA-N 1 2 385.920 4.382 20 0 GIADLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1OC ZINC000024804480 819878956 /nfs/dbraw/zinc/87/89/56/819878956.db2.gz MJRGUYMXZCVMGZ-UHFFFAOYSA-N 1 2 396.409 4.102 20 0 GIADLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1OC ZINC000024804480 819878963 /nfs/dbraw/zinc/87/89/63/819878963.db2.gz MJRGUYMXZCVMGZ-UHFFFAOYSA-N 1 2 396.409 4.102 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(Br)cc3)n2)C1 ZINC000024887508 819888730 /nfs/dbraw/zinc/88/87/30/819888730.db2.gz AWPIEWRPKIPCTN-LBPRGKRZSA-N 1 2 394.338 4.390 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(Br)cc3)n2)C1 ZINC000024887508 819888742 /nfs/dbraw/zinc/88/87/42/819888742.db2.gz AWPIEWRPKIPCTN-LBPRGKRZSA-N 1 2 394.338 4.390 20 0 GIADLO Cc1cccc(OCCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000410255345 823436010 /nfs/dbraw/zinc/43/60/10/823436010.db2.gz HYMREXGEHZLEJQ-LJQANCHMSA-N 1 2 381.520 4.011 20 0 GIADLO Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000177335745 823438425 /nfs/dbraw/zinc/43/84/25/823438425.db2.gz MLEZBUGMYQGUAV-HXUWFJFHSA-N 1 2 390.487 4.023 20 0 GIADLO O=C(CCSCc1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410262981 823439255 /nfs/dbraw/zinc/43/92/55/823439255.db2.gz GNADMBUPLRXWDV-LJQANCHMSA-N 1 2 383.561 4.249 20 0 GIADLO CC(C)(C)c1ccc(OCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410264447 823440087 /nfs/dbraw/zinc/44/00/87/823440087.db2.gz JIYZNBHBNQQEOD-SFHVURJKSA-N 1 2 395.547 4.302 20 0 GIADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253099 819950504 /nfs/dbraw/zinc/95/05/04/819950504.db2.gz KPLZCQOZTKLCOI-LLVKDONJSA-N 1 2 387.789 4.093 20 0 GIADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253099 819950511 /nfs/dbraw/zinc/95/05/11/819950511.db2.gz KPLZCQOZTKLCOI-LLVKDONJSA-N 1 2 387.789 4.093 20 0 GIADLO CC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(OC)c(OC)c1 ZINC000025357827 819969341 /nfs/dbraw/zinc/96/93/41/819969341.db2.gz OKTNQHNWFYMTRF-UHFFFAOYSA-N 1 2 387.867 4.429 20 0 GIADLO CC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1ccc(OC)c(OC)c1 ZINC000025357827 819969346 /nfs/dbraw/zinc/96/93/46/819969346.db2.gz OKTNQHNWFYMTRF-UHFFFAOYSA-N 1 2 387.867 4.429 20 0 GIADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410269508 823442597 /nfs/dbraw/zinc/44/25/97/823442597.db2.gz CJHHGPJBCKBLRA-SJLPKXTDSA-N 1 2 385.939 4.458 20 0 GIADLO CC(=O)Nc1ccc2c(C[NH2+][C@@H](c3ccccc3)c3ccccn3)cc(=O)oc2c1 ZINC000025418989 819977751 /nfs/dbraw/zinc/97/77/51/819977751.db2.gz FYFHBGVPBPPBGF-DEOSSOPVSA-N 1 2 399.450 4.026 20 0 GIADLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000025443844 819981617 /nfs/dbraw/zinc/98/16/17/819981617.db2.gz MSMZQDONROOETJ-LJQANCHMSA-N 1 2 386.467 4.399 20 0 GIADLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000025443844 819981623 /nfs/dbraw/zinc/98/16/23/819981623.db2.gz MSMZQDONROOETJ-LJQANCHMSA-N 1 2 386.467 4.399 20 0 GIADLO O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410276033 823445103 /nfs/dbraw/zinc/44/51/03/823445103.db2.gz MYZHFEBVTQMKRR-HNNXBMFYSA-N 1 2 392.330 4.475 20 0 GIADLO Cc1cc(CSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)on1 ZINC000025744157 820020936 /nfs/dbraw/zinc/02/09/36/820020936.db2.gz DYSPNRPGTIIHHY-INIZCTEOSA-N 1 2 383.521 4.403 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](CC(=O)c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000025946961 820043081 /nfs/dbraw/zinc/04/30/81/820043081.db2.gz GIPISXZWMBIPAJ-UHFFFAOYSA-N 1 2 390.483 4.263 20 0 GIADLO COc1ccc(-c2ccc(CNC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2)cc1 ZINC000460596189 823449206 /nfs/dbraw/zinc/44/92/06/823449206.db2.gz HSKWKPNBIQMSHL-UHFFFAOYSA-N 1 2 383.451 4.478 20 0 GIADLO CC[C@@H](C)Oc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410291344 823451719 /nfs/dbraw/zinc/45/17/19/823451719.db2.gz NWOKZKSKRGNTMO-IEBWSBKVSA-N 1 2 381.520 4.417 20 0 GIADLO O=C(NCC1(c2ccccc2)CCC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058790145 823452472 /nfs/dbraw/zinc/45/24/72/823452472.db2.gz CBELVTUTKFVPCQ-OAQYLSRUSA-N 1 2 380.557 4.015 20 0 GIADLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)[nH+]1 ZINC000026513347 820107214 /nfs/dbraw/zinc/10/72/14/820107214.db2.gz XUCNQVXHKOXQPQ-CQSZACIVSA-N 1 2 380.473 4.279 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1ccc(N2CCCC2)cc1 ZINC000177400958 823453927 /nfs/dbraw/zinc/45/39/27/823453927.db2.gz BCQZPSSXKOLANN-IBGZPJMESA-N 1 2 397.544 4.024 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1ccc(N2CCCC2)cc1 ZINC000177400958 823453930 /nfs/dbraw/zinc/45/39/30/823453930.db2.gz BCQZPSSXKOLANN-IBGZPJMESA-N 1 2 397.544 4.024 20 0 GIADLO CCc1ccccc1NC(=O)C[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000026641015 820127181 /nfs/dbraw/zinc/12/71/81/820127181.db2.gz BUFRQTJQANOKPP-UHFFFAOYSA-N 1 2 378.516 4.399 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@@H](C)c3cccs3)CC2)c(C)c1 ZINC000026641242 820127310 /nfs/dbraw/zinc/12/73/10/820127310.db2.gz HEBXCTRUJJWGLW-KRWDZBQOSA-N 1 2 384.545 4.137 20 0 GIADLO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000573147765 823455549 /nfs/dbraw/zinc/45/55/49/823455549.db2.gz MHOHOCAPJHTPTG-WPRPVWTQSA-N 1 2 378.206 4.418 20 0 GIADLO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000573147765 823455555 /nfs/dbraw/zinc/45/55/55/823455555.db2.gz MHOHOCAPJHTPTG-WPRPVWTQSA-N 1 2 378.206 4.418 20 0 GIADLO Cc1cc2ccccc2n1CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410311701 823459774 /nfs/dbraw/zinc/45/97/74/823459774.db2.gz ZCZMFHHDHDTHEG-UHFFFAOYSA-N 1 2 376.504 4.042 20 0 GIADLO COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000026807515 820147592 /nfs/dbraw/zinc/14/75/92/820147592.db2.gz WMYTVDDJORSJAZ-OAHLLOKOSA-N 1 2 393.512 4.204 20 0 GIADLO COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)n2)cc1 ZINC000026807515 820147601 /nfs/dbraw/zinc/14/76/01/820147601.db2.gz WMYTVDDJORSJAZ-OAHLLOKOSA-N 1 2 393.512 4.204 20 0 GIADLO O=C(NC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000123075508 823457893 /nfs/dbraw/zinc/45/78/93/823457893.db2.gz NHERIVLOADQEGX-UHFFFAOYSA-N 1 2 380.385 4.239 20 0 GIADLO COc1ccc(CCCCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000410306528 823458049 /nfs/dbraw/zinc/45/80/49/823458049.db2.gz BUEUXZYLCRKAEH-UHFFFAOYSA-N 1 2 395.547 4.500 20 0 GIADLO O=C([C@H]1CCSc2ccccc21)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410308300 823458638 /nfs/dbraw/zinc/45/86/38/823458638.db2.gz OKSZHFDKNPWXMB-LPHOPBHVSA-N 1 2 381.545 4.205 20 0 GIADLO CCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1OCC ZINC000410313265 823460134 /nfs/dbraw/zinc/46/01/34/823460134.db2.gz LNISMKXQXYOUFW-UHFFFAOYSA-N 1 2 397.519 4.189 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(=S)n(C[N@H+](C)CC3CCCCC3)c2c1 ZINC000027081318 820191403 /nfs/dbraw/zinc/19/14/03/820191403.db2.gz YDRNPNISQXMNMB-UHFFFAOYSA-N 1 2 382.551 4.227 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](C)CC3CCCCC3)c2c1 ZINC000027081318 820191408 /nfs/dbraw/zinc/19/14/08/820191408.db2.gz YDRNPNISQXMNMB-UHFFFAOYSA-N 1 2 382.551 4.227 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1F ZINC000027211848 820210009 /nfs/dbraw/zinc/21/00/09/820210009.db2.gz VWCUPZVBQLIJAE-NSHDSACASA-N 1 2 391.443 4.042 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1F ZINC000027211848 820210020 /nfs/dbraw/zinc/21/00/20/820210020.db2.gz VWCUPZVBQLIJAE-NSHDSACASA-N 1 2 391.443 4.042 20 0 GIADLO CC(C)(NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1nccs1 ZINC000573184504 823462458 /nfs/dbraw/zinc/46/24/58/823462458.db2.gz GXBPVGPTPGQCSA-UHFFFAOYSA-N 1 2 381.505 4.400 20 0 GIADLO O=C(NCC1(c2ccc(Cl)cc2Cl)CCCC1)N1CCn2c[nH+]cc2C1 ZINC000460640250 823464023 /nfs/dbraw/zinc/46/40/23/823464023.db2.gz AOXZVRAXFNRHNP-UHFFFAOYSA-N 1 2 393.318 4.227 20 0 GIADLO C[C@H](SCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410328920 823464738 /nfs/dbraw/zinc/46/47/38/823464738.db2.gz UUCAOEMQXXLRHU-PKOBYXMFSA-N 1 2 383.561 4.247 20 0 GIADLO C[C@@H](CCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000123125641 823466615 /nfs/dbraw/zinc/46/66/15/823466615.db2.gz ZGDAFYOYYYTRSF-IBGZPJMESA-N 1 2 379.548 4.422 20 0 GIADLO FC(F)(F)c1cccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000028620020 820345378 /nfs/dbraw/zinc/34/53/78/820345378.db2.gz GSHFBVFYAHZHEK-UHFFFAOYSA-N 1 2 378.423 4.032 20 0 GIADLO CCOc1ccccc1CCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000028683927 820350998 /nfs/dbraw/zinc/35/09/98/820350998.db2.gz QMASCUYHAHPLFW-INIZCTEOSA-N 1 2 387.549 4.345 20 0 GIADLO CCOc1ccccc1CCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000028683927 820351008 /nfs/dbraw/zinc/35/10/08/820351008.db2.gz QMASCUYHAHPLFW-INIZCTEOSA-N 1 2 387.549 4.345 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCn3ccc4ccccc43)n2)C1 ZINC000028685215 820351239 /nfs/dbraw/zinc/35/12/39/820351239.db2.gz CQKYEUWJVGNDTN-INIZCTEOSA-N 1 2 382.533 4.359 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCn3ccc4ccccc43)n2)C1 ZINC000028685215 820351248 /nfs/dbraw/zinc/35/12/48/820351248.db2.gz CQKYEUWJVGNDTN-INIZCTEOSA-N 1 2 382.533 4.359 20 0 GIADLO O=C(Nc1ccc(F)cc1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000028989330 820380673 /nfs/dbraw/zinc/38/06/73/820380673.db2.gz ZKAYYPXBFICOIT-UHFFFAOYSA-N 1 2 397.372 4.074 20 0 GIADLO C[C@H](C1CC1)n1cc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cn1 ZINC000189683634 823474824 /nfs/dbraw/zinc/47/48/24/823474824.db2.gz NQIHVHJWZMBUIB-GQWLDOHISA-N 1 2 390.491 4.101 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000029027286 820385295 /nfs/dbraw/zinc/38/52/95/820385295.db2.gz XJWNOIXEYPAXJR-UHFFFAOYSA-N 1 2 385.467 4.440 20 0 GIADLO O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000029090820 820391497 /nfs/dbraw/zinc/39/14/97/820391497.db2.gz KQEQQTFLMPMJFQ-UHFFFAOYSA-N 1 2 394.906 4.078 20 0 GIADLO O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000029090820 820391504 /nfs/dbraw/zinc/39/15/04/820391504.db2.gz KQEQQTFLMPMJFQ-UHFFFAOYSA-N 1 2 394.906 4.078 20 0 GIADLO C[NH+](C)Cc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000029164850 820403475 /nfs/dbraw/zinc/40/34/75/820403475.db2.gz WPDSXRGPMNGQCR-UHFFFAOYSA-N 1 2 399.292 4.153 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)C[C@H]1n1cc[nH+]c1 ZINC000123188777 823476256 /nfs/dbraw/zinc/47/62/56/823476256.db2.gz PLYSHMISGBGZRN-GOEBONIOSA-N 1 2 392.484 4.476 20 0 GIADLO COC(=O)[C@H](c1ccsc1)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000410370490 823477931 /nfs/dbraw/zinc/47/79/31/823477931.db2.gz DAAOLDMVSLKMPG-IBGZPJMESA-N 1 2 387.480 4.056 20 0 GIADLO COC(=O)[C@H](c1ccsc1)[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000410370490 823477938 /nfs/dbraw/zinc/47/79/38/823477938.db2.gz DAAOLDMVSLKMPG-IBGZPJMESA-N 1 2 387.480 4.056 20 0 GIADLO CC(C)n1nccc1C[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000410386562 823483061 /nfs/dbraw/zinc/48/30/61/823483061.db2.gz ZSIZJFQHIXYQGM-MRXNPFEDSA-N 1 2 391.357 4.105 20 0 GIADLO Cn1ccc2ccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccc(F)c(F)c3)cc21 ZINC000189699019 823478683 /nfs/dbraw/zinc/47/86/83/823478683.db2.gz GPDGYGBVGQINOU-UYAOXDASSA-N 1 2 384.430 4.023 20 0 GIADLO Cn1ccc2ccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccc(F)c(F)c3)cc21 ZINC000189699019 823478689 /nfs/dbraw/zinc/47/86/89/823478689.db2.gz GPDGYGBVGQINOU-UYAOXDASSA-N 1 2 384.430 4.023 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189704140 823479277 /nfs/dbraw/zinc/47/92/77/823479277.db2.gz HITPJGUCUZLHBO-NFBKMPQASA-N 1 2 388.515 4.142 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3csc4ccccc34)CC2)nc(C(C)C)[nH+]1 ZINC000029579494 820479197 /nfs/dbraw/zinc/47/91/97/820479197.db2.gz HAVFYVINPZCAMJ-UHFFFAOYSA-N 1 2 380.517 4.086 20 0 GIADLO CCCCn1c(SCC(=O)NC2CCCCCC2)nnc1[C@@H](CC)[NH+](C)C ZINC000029595102 820481317 /nfs/dbraw/zinc/48/13/17/820481317.db2.gz YXJMOZJKJUCTFR-QGZVFWFLSA-N 1 2 395.617 4.022 20 0 GIADLO Cc1ccccc1NC(=O)[C@H](C)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000029686323 820498057 /nfs/dbraw/zinc/49/80/57/820498057.db2.gz RKXQBNIVUDOYLS-ROUUACIJSA-N 1 2 385.939 4.354 20 0 GIADLO C[N@H+](Cc1ccccc1Cl)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029697690 820500190 /nfs/dbraw/zinc/50/01/90/820500190.db2.gz HXMJBHKWQLRLNU-INIZCTEOSA-N 1 2 376.847 4.009 20 0 GIADLO C[N@@H+](Cc1ccccc1Cl)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029697690 820500196 /nfs/dbraw/zinc/50/01/96/820500196.db2.gz HXMJBHKWQLRLNU-INIZCTEOSA-N 1 2 376.847 4.009 20 0 GIADLO COc1ccc(CN2CC[NH+](Cc3cc(-c4ccc(C)cc4)no3)CC2)cc1F ZINC000029704444 820501681 /nfs/dbraw/zinc/50/16/81/820501681.db2.gz PIEQEJVGAJAIJW-UHFFFAOYSA-N 1 2 395.478 4.116 20 0 GIADLO Cc1ccc(-c2nc(CN3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)cs2)o1 ZINC000029709489 820503119 /nfs/dbraw/zinc/50/31/19/820503119.db2.gz SDBMVARWUOSNIX-UHFFFAOYSA-N 1 2 397.548 4.256 20 0 GIADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)ccc1OC(C)C ZINC000123275974 823489437 /nfs/dbraw/zinc/48/94/37/823489437.db2.gz GUJBFLMQERHVKO-CABCVRRESA-N 1 2 382.464 4.339 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029825109 820524919 /nfs/dbraw/zinc/52/49/19/820524919.db2.gz INQRVYIMPWZONB-CRAIPNDOSA-N 1 2 391.471 4.237 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029825109 820524925 /nfs/dbraw/zinc/52/49/25/820524925.db2.gz INQRVYIMPWZONB-CRAIPNDOSA-N 1 2 391.471 4.237 20 0 GIADLO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029913596 820547383 /nfs/dbraw/zinc/54/73/83/820547383.db2.gz GBEGURBVGHJTTB-UHFFFAOYSA-N 1 2 386.459 4.328 20 0 GIADLO O=C(Nc1ccc(F)cc1)c1nnc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000029971938 820558647 /nfs/dbraw/zinc/55/86/47/820558647.db2.gz OWRWUBACZWSVOD-GOSISDBHSA-N 1 2 396.491 4.137 20 0 GIADLO O=C(Nc1ccc(F)cc1)c1nnc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000029971938 820558651 /nfs/dbraw/zinc/55/86/51/820558651.db2.gz OWRWUBACZWSVOD-GOSISDBHSA-N 1 2 396.491 4.137 20 0 GIADLO COc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1OCCC(C)C ZINC000123272486 823488728 /nfs/dbraw/zinc/48/87/28/823488728.db2.gz NFXGGLXGCYSZGN-IEBWSBKVSA-N 1 2 385.508 4.040 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(-c2ccco2)nc2ccccc21 ZINC000030011684 820568772 /nfs/dbraw/zinc/56/87/72/820568772.db2.gz WLTMEEIUGOVCON-UHFFFAOYSA-N 1 2 398.466 4.420 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189784162 823493827 /nfs/dbraw/zinc/49/38/27/823493827.db2.gz PLVIOMFKWADAIM-SJLPKXTDSA-N 1 2 379.838 4.494 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189784162 823493830 /nfs/dbraw/zinc/49/38/30/823493830.db2.gz PLVIOMFKWADAIM-SJLPKXTDSA-N 1 2 379.838 4.494 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H]1n1cc[nH+]c1 ZINC000177575300 823494542 /nfs/dbraw/zinc/49/45/42/823494542.db2.gz ANIYADBGNFHZHG-DOTOQJQBSA-N 1 2 382.464 4.040 20 0 GIADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3coc(Br)c3)CC2)cc1 ZINC000030514856 820629319 /nfs/dbraw/zinc/62/93/19/820629319.db2.gz QOPYKJYLGQNLID-UHFFFAOYSA-N 1 2 391.309 4.124 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000573433982 823492550 /nfs/dbraw/zinc/49/25/50/823492550.db2.gz IVGNHJXSQIOYIP-CQSZACIVSA-N 1 2 384.842 4.130 20 0 GIADLO CNC(=O)Cc1nc(C[N@H+]([C@@H](C)c2ccc3ccccc3c2)C2CC2)cs1 ZINC000177579665 823495481 /nfs/dbraw/zinc/49/54/81/823495481.db2.gz DIIDKRCSQZICJL-HNNXBMFYSA-N 1 2 379.529 4.310 20 0 GIADLO CNC(=O)Cc1nc(C[N@@H+]([C@@H](C)c2ccc3ccccc3c2)C2CC2)cs1 ZINC000177579665 823495485 /nfs/dbraw/zinc/49/54/85/823495485.db2.gz DIIDKRCSQZICJL-HNNXBMFYSA-N 1 2 379.529 4.310 20 0 GIADLO Cc1cc(CCCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(C)s1 ZINC000177581357 823495825 /nfs/dbraw/zinc/49/58/25/823495825.db2.gz AQBMVDRBNAJSCQ-UHFFFAOYSA-N 1 2 381.545 4.291 20 0 GIADLO Cc1ncsc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000123332899 823497406 /nfs/dbraw/zinc/49/74/06/823497406.db2.gz OIXDZPBQQDXZNH-UHFFFAOYSA-N 1 2 384.332 4.153 20 0 GIADLO CCC(CC)n1nccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000123389757 823504427 /nfs/dbraw/zinc/50/44/27/823504427.db2.gz MFNKFIAOWMSIBU-CQSZACIVSA-N 1 2 375.542 4.185 20 0 GIADLO CCC(CC)n1nccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000123389757 823504431 /nfs/dbraw/zinc/50/44/31/823504431.db2.gz MFNKFIAOWMSIBU-CQSZACIVSA-N 1 2 375.542 4.185 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2O)C[C@@H]1n1cc[nH+]c1 ZINC000123367620 823502385 /nfs/dbraw/zinc/50/23/85/823502385.db2.gz LGSSAMLQFHTHJW-JXFKEZNVSA-N 1 2 377.444 4.104 20 0 GIADLO Fc1cc(Br)ccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177618902 823502513 /nfs/dbraw/zinc/50/25/13/823502513.db2.gz XOKNCOASLWKOJU-QGZVFWFLSA-N 1 2 386.305 4.138 20 0 GIADLO CSc1ccc(Cl)c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000060059519 823505956 /nfs/dbraw/zinc/50/59/56/823505956.db2.gz UPFYIAFWKPLWGF-UHFFFAOYSA-N 1 2 376.909 4.146 20 0 GIADLO CCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000059936033 823503363 /nfs/dbraw/zinc/50/33/63/823503363.db2.gz ZCSAJDNRDJXKRG-UHFFFAOYSA-N 1 2 390.487 4.289 20 0 GIADLO C[C@H]1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000123426170 823508175 /nfs/dbraw/zinc/50/81/75/823508175.db2.gz ACIBEOLWYOLSJN-MGPUTAFESA-N 1 2 380.879 4.322 20 0 GIADLO Cc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)ccc1NC(=O)CC(C)C ZINC000460775924 823508932 /nfs/dbraw/zinc/50/89/32/823508932.db2.gz HWCRLCGGMMAADY-UHFFFAOYSA-N 1 2 376.460 4.418 20 0 GIADLO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000031889212 820870552 /nfs/dbraw/zinc/87/05/52/820870552.db2.gz QZJUDYABOKFRMX-ZIAGYGMSSA-N 1 2 393.940 4.434 20 0 GIADLO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000031889212 820870559 /nfs/dbraw/zinc/87/05/59/820870559.db2.gz QZJUDYABOKFRMX-ZIAGYGMSSA-N 1 2 393.940 4.434 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cccc2c3c([nH]c21)CCCC3 ZINC000031906143 820872945 /nfs/dbraw/zinc/87/29/45/820872945.db2.gz PGQLHGKIZFLCTE-UHFFFAOYSA-N 1 2 398.510 4.264 20 0 GIADLO Cn1c[nH+]cc1CCC(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000189909155 823512546 /nfs/dbraw/zinc/51/25/46/823512546.db2.gz LMZILEPIOHLSNE-UHFFFAOYSA-N 1 2 378.303 4.366 20 0 GIADLO Cc1cncc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000189934277 823515257 /nfs/dbraw/zinc/51/52/57/823515257.db2.gz WWDXQCTWAITNSQ-UHFFFAOYSA-N 1 2 375.472 4.078 20 0 GIADLO Cc1cncc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000189934277 823515258 /nfs/dbraw/zinc/51/52/58/823515258.db2.gz WWDXQCTWAITNSQ-UHFFFAOYSA-N 1 2 375.472 4.078 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000177732046 823518121 /nfs/dbraw/zinc/51/81/21/823518121.db2.gz KYTSRYRSXKXTHB-XELLLNAOSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000177732046 823518124 /nfs/dbraw/zinc/51/81/24/823518124.db2.gz KYTSRYRSXKXTHB-XELLLNAOSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000177731504 823518157 /nfs/dbraw/zinc/51/81/57/823518157.db2.gz IJMBTFWUUUCKBY-UOXLDJKESA-N 1 2 399.343 4.362 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000177731504 823518160 /nfs/dbraw/zinc/51/81/60/823518160.db2.gz IJMBTFWUUUCKBY-UOXLDJKESA-N 1 2 399.343 4.362 20 0 GIADLO CCC(CC)[C@H](C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000460808361 823518146 /nfs/dbraw/zinc/51/81/46/823518146.db2.gz AVKOKPJQCJYOAK-RDTXWAMCSA-N 1 2 386.458 4.020 20 0 GIADLO CCC(CC)[C@H](C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000460808358 823518176 /nfs/dbraw/zinc/51/81/76/823518176.db2.gz AVKOKPJQCJYOAK-KBXCAEBGSA-N 1 2 386.458 4.020 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000177727262 823517441 /nfs/dbraw/zinc/51/74/41/823517441.db2.gz BQRDJXNWOHBNMS-JWIGPWBQSA-N 1 2 386.561 4.353 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000177727262 823517443 /nfs/dbraw/zinc/51/74/43/823517443.db2.gz BQRDJXNWOHBNMS-JWIGPWBQSA-N 1 2 386.561 4.353 20 0 GIADLO CCC(=O)N1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000123525897 823517593 /nfs/dbraw/zinc/51/75/93/823517593.db2.gz RMNBYJQIHQVMJP-GFCCVEGCSA-N 1 2 397.306 4.049 20 0 GIADLO CCC(=O)N1CCC[N@H+]([C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000123525897 823517595 /nfs/dbraw/zinc/51/75/95/823517595.db2.gz RMNBYJQIHQVMJP-GFCCVEGCSA-N 1 2 397.306 4.049 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N(CCc1ccccc1)Cc1ccccc1 ZINC000177767763 823523270 /nfs/dbraw/zinc/52/32/70/823523270.db2.gz QNQQBSNCBRWDDY-UHFFFAOYSA-N 1 2 384.483 4.289 20 0 GIADLO C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000033240873 821053802 /nfs/dbraw/zinc/05/38/02/821053802.db2.gz FXOCNQCETDLSHS-HNNXBMFYSA-N 1 2 385.533 4.024 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cccc(F)c1 ZINC000060442377 823528438 /nfs/dbraw/zinc/52/84/38/823528438.db2.gz UNRLKGYWFDPEHI-UHFFFAOYSA-N 1 2 381.451 4.154 20 0 GIADLO COc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1OC(C)C ZINC000036652194 821074061 /nfs/dbraw/zinc/07/40/61/821074061.db2.gz JNSYMJBMUCJYBN-UHFFFAOYSA-N 1 2 389.521 4.177 20 0 GIADLO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000190040728 823529687 /nfs/dbraw/zinc/52/96/87/823529687.db2.gz YHRFQSSXHBCEQE-LBPRGKRZSA-N 1 2 381.386 4.256 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000060466590 823531198 /nfs/dbraw/zinc/53/11/98/823531198.db2.gz DWLKTOHQHQGNLR-UHFFFAOYSA-N 1 2 375.520 4.124 20 0 GIADLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000060471373 823531766 /nfs/dbraw/zinc/53/17/66/823531766.db2.gz KEVFTYANIIPBIN-UHFFFAOYSA-N 1 2 375.296 4.284 20 0 GIADLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000060471373 823531767 /nfs/dbraw/zinc/53/17/67/823531767.db2.gz KEVFTYANIIPBIN-UHFFFAOYSA-N 1 2 375.296 4.284 20 0 GIADLO CCCc1ccc(-c2csc(NC(=O)C[NH+]3CCC(OCC)CC3)n2)cc1 ZINC000060485180 823533578 /nfs/dbraw/zinc/53/35/78/823533578.db2.gz YAJNPSIFUWTUCV-UHFFFAOYSA-N 1 2 387.549 4.202 20 0 GIADLO Cc1cc[nH+]c(NNC(=O)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc2C)c1 ZINC000190047790 823530245 /nfs/dbraw/zinc/53/02/45/823530245.db2.gz UCWPBGYUQIMWDK-UHFFFAOYSA-N 1 2 394.862 4.101 20 0 GIADLO COc1cc(-c2ccccc2)sc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123772923 823539369 /nfs/dbraw/zinc/53/93/69/823539369.db2.gz OQKOALBIIZHVGA-RDJZCZTQSA-N 1 2 381.501 4.344 20 0 GIADLO CC[C@H]1CCC[N@H+](Cn2nc(COc3ccccc3Cl)n(C)c2=S)C1 ZINC000042095317 821264579 /nfs/dbraw/zinc/26/45/79/821264579.db2.gz DHLPTRJPCVLWCE-AWEZNQCLSA-N 1 2 380.945 4.263 20 0 GIADLO CC[C@H]1CCC[N@@H+](Cn2nc(COc3ccccc3Cl)n(C)c2=S)C1 ZINC000042095317 821264581 /nfs/dbraw/zinc/26/45/81/821264581.db2.gz DHLPTRJPCVLWCE-AWEZNQCLSA-N 1 2 380.945 4.263 20 0 GIADLO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042206644 821283769 /nfs/dbraw/zinc/28/37/69/821283769.db2.gz XBMSIIJUAYSIEN-CYBMUJFWSA-N 1 2 396.343 4.218 20 0 GIADLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+](C)Cc1ccc(Cl)s1 ZINC000042385221 821305892 /nfs/dbraw/zinc/30/58/92/821305892.db2.gz XJTTUHYEIDWTAI-GFCCVEGCSA-N 1 2 380.897 4.022 20 0 GIADLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000042385221 821305900 /nfs/dbraw/zinc/30/59/00/821305900.db2.gz XJTTUHYEIDWTAI-GFCCVEGCSA-N 1 2 380.897 4.022 20 0 GIADLO CCOc1ccc([C@@H](C)NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000042389785 821306232 /nfs/dbraw/zinc/30/62/32/821306232.db2.gz XYRKNZLOUWALDV-MRXNPFEDSA-N 1 2 383.517 4.152 20 0 GIADLO CC[C@@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)c1ccccc1OC ZINC000042481072 821308334 /nfs/dbraw/zinc/30/83/34/821308334.db2.gz ZPRPMBMAYXFXMX-GOSISDBHSA-N 1 2 383.517 4.152 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000042932760 821346491 /nfs/dbraw/zinc/34/64/91/821346491.db2.gz CFZZMDRAFHCPMN-HZPDHXFCSA-N 1 2 387.911 4.271 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000043159004 821370857 /nfs/dbraw/zinc/37/08/57/821370857.db2.gz UWIYFGHCVDARPT-UHFFFAOYSA-N 1 2 388.393 4.314 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3C)CC2)nc(C(C)C)[nH+]1 ZINC000043173071 821373459 /nfs/dbraw/zinc/37/34/59/821373459.db2.gz PAFRNMKAOJSEPQ-UHFFFAOYSA-N 1 2 387.915 4.224 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000043268851 821383655 /nfs/dbraw/zinc/38/36/55/821383655.db2.gz ZYCMLWJBXAGHAH-UHFFFAOYSA-N 1 2 391.878 4.055 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000043278438 821385811 /nfs/dbraw/zinc/38/58/11/821385811.db2.gz DTJVHERLOMHKOD-UHFFFAOYSA-N 1 2 388.393 4.314 20 0 GIADLO CSc1ccccc1NC(=O)[C@@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000043305601 821388649 /nfs/dbraw/zinc/38/86/49/821388649.db2.gz UCZFZWVLJSGNPC-UFUQCMIWSA-N 1 2 395.572 4.067 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000043313563 821390463 /nfs/dbraw/zinc/39/04/63/821390463.db2.gz KMZSSEXLYYDTKK-FQEVSTJZSA-N 1 2 381.520 4.141 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000043313563 821390472 /nfs/dbraw/zinc/39/04/72/821390472.db2.gz KMZSSEXLYYDTKK-FQEVSTJZSA-N 1 2 381.520 4.141 20 0 GIADLO Cc1nc2ccc(NC(=O)NCCc3[nH+]ccn3Cc3ccccc3)cc2s1 ZINC000043375658 821398781 /nfs/dbraw/zinc/39/87/81/821398781.db2.gz FGSTXZJSNUQVNX-UHFFFAOYSA-N 1 2 391.500 4.214 20 0 GIADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180734654 821423647 /nfs/dbraw/zinc/42/36/47/821423647.db2.gz YQQNSQIRSIWZDN-HSZRJFAPSA-N 1 2 393.531 4.199 20 0 GIADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180734654 821423648 /nfs/dbraw/zinc/42/36/48/821423648.db2.gz YQQNSQIRSIWZDN-HSZRJFAPSA-N 1 2 393.531 4.199 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccc(F)c(F)c3)n2)C1 ZINC000043546728 821424058 /nfs/dbraw/zinc/42/40/58/821424058.db2.gz NWNMNWZMUGQNCG-ZDUSSCGKSA-N 1 2 394.491 4.317 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccc(F)c(F)c3)n2)C1 ZINC000043546728 821424062 /nfs/dbraw/zinc/42/40/62/821424062.db2.gz NWNMNWZMUGQNCG-ZDUSSCGKSA-N 1 2 394.491 4.317 20 0 GIADLO O=C(NCCn1cc[nH+]c1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000043620930 821431368 /nfs/dbraw/zinc/43/13/68/821431368.db2.gz RDZHURJXJDWOLE-UHFFFAOYSA-N 1 2 396.303 4.059 20 0 GIADLO CCC(CC)c1nnc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000043697894 821443155 /nfs/dbraw/zinc/44/31/55/821443155.db2.gz WARBHRPHRJJOAX-UHFFFAOYSA-N 1 2 384.509 4.008 20 0 GIADLO CCOc1cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)cc(Cl)c1OC ZINC000180790744 821460064 /nfs/dbraw/zinc/46/00/64/821460064.db2.gz DGFDXJLCHKCCPI-UHFFFAOYSA-N 1 2 391.821 4.132 20 0 GIADLO CCOc1cc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)cc(Cl)c1OC ZINC000180790744 821460072 /nfs/dbraw/zinc/46/00/72/821460072.db2.gz DGFDXJLCHKCCPI-UHFFFAOYSA-N 1 2 391.821 4.132 20 0 GIADLO Cc1cccc(Cc2cnc(NC(=O)C[N@@H+](C)[C@H](C)c3cccnc3)s2)c1 ZINC000180792854 821461449 /nfs/dbraw/zinc/46/14/49/821461449.db2.gz GQNKKNCVEIFNPV-MRXNPFEDSA-N 1 2 380.517 4.069 20 0 GIADLO Cc1cccc(Cc2cnc(NC(=O)C[N@H+](C)[C@H](C)c3cccnc3)s2)c1 ZINC000180792854 821461451 /nfs/dbraw/zinc/46/14/51/821461451.db2.gz GQNKKNCVEIFNPV-MRXNPFEDSA-N 1 2 380.517 4.069 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3c(Cl)nc4ccccn43)C2)n1 ZINC000180801739 821465978 /nfs/dbraw/zinc/46/59/78/821465978.db2.gz RUHZKIKSDYBVAB-GFCCVEGCSA-N 1 2 383.805 4.040 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3c(Cl)nc4ccccn43)C2)n1 ZINC000180801739 821465986 /nfs/dbraw/zinc/46/59/86/821465986.db2.gz RUHZKIKSDYBVAB-GFCCVEGCSA-N 1 2 383.805 4.040 20 0 GIADLO CC(C)OCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000044172748 821539341 /nfs/dbraw/zinc/53/93/41/821539341.db2.gz XKHDGCILCGDEHA-UHFFFAOYSA-N 1 2 380.945 4.034 20 0 GIADLO Cc1ccc2c(c1)[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[C@H](C)C2 ZINC000181006939 821589176 /nfs/dbraw/zinc/58/91/76/821589176.db2.gz PCXPSKJFIAMQOL-WZONZLPQSA-N 1 2 388.515 4.015 20 0 GIADLO Cc1cc(O[C@H](C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1C(C)C ZINC000044525535 821600270 /nfs/dbraw/zinc/60/02/70/821600270.db2.gz NWIKYVYYUCNCPJ-GOSISDBHSA-N 1 2 381.520 4.066 20 0 GIADLO COc1cccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1OC ZINC000044567572 821609702 /nfs/dbraw/zinc/60/97/02/821609702.db2.gz VYNRIZIYIJHGOA-UHFFFAOYSA-N 1 2 377.444 4.156 20 0 GIADLO COc1cc(OC)cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000044567575 821609712 /nfs/dbraw/zinc/60/97/12/821609712.db2.gz ZDAUVCGQRWHYGQ-UHFFFAOYSA-N 1 2 377.444 4.156 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cc2ccccc2oc1=O ZINC000044568215 821610475 /nfs/dbraw/zinc/61/04/75/821610475.db2.gz RWFYNPLMAICJBU-UHFFFAOYSA-N 1 2 385.423 4.245 20 0 GIADLO COc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000044567851 821610530 /nfs/dbraw/zinc/61/05/30/821610530.db2.gz LWMMGEDOGNZREB-INIZCTEOSA-N 1 2 391.471 4.301 20 0 GIADLO C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568758 821611059 /nfs/dbraw/zinc/61/10/59/821611059.db2.gz YLPSJZOSSCAKDF-BTYIYWSLSA-N 1 2 389.455 4.053 20 0 GIADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181061115 821615095 /nfs/dbraw/zinc/61/50/95/821615095.db2.gz XESKVIBHRBJZIX-OAHLLOKOSA-N 1 2 385.943 4.023 20 0 GIADLO Cc1noc(CSc2ccc(C(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)cc2)n1 ZINC000044685904 821644680 /nfs/dbraw/zinc/64/46/80/821644680.db2.gz HAHOMTFEQLLQKR-UHFFFAOYSA-N 1 2 379.445 4.107 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1ccc(Br)cc1 ZINC000181132194 821652792 /nfs/dbraw/zinc/65/27/92/821652792.db2.gz QQHUFKKPEJBADW-CQSZACIVSA-N 1 2 386.293 4.468 20 0 GIADLO CCCc1noc(C[NH2+][C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)n1 ZINC000181140165 821659074 /nfs/dbraw/zinc/65/90/74/821659074.db2.gz UTHHIDYXMAEQMC-LJQANCHMSA-N 1 2 395.503 4.421 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)c2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181151363 821665758 /nfs/dbraw/zinc/66/57/58/821665758.db2.gz SRYLEIJNPHARRH-HOTGVXAUSA-N 1 2 382.266 4.093 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)c2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181151363 821665764 /nfs/dbraw/zinc/66/57/64/821665764.db2.gz SRYLEIJNPHARRH-HOTGVXAUSA-N 1 2 382.266 4.093 20 0 GIADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181155636 821668389 /nfs/dbraw/zinc/66/83/89/821668389.db2.gz IPBBDFGOBMRTAR-QGZVFWFLSA-N 1 2 392.503 4.088 20 0 GIADLO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181155636 821668396 /nfs/dbraw/zinc/66/83/96/821668396.db2.gz IPBBDFGOBMRTAR-QGZVFWFLSA-N 1 2 392.503 4.088 20 0 GIADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181155636 821668405 /nfs/dbraw/zinc/66/84/05/821668405.db2.gz IPBBDFGOBMRTAR-QGZVFWFLSA-N 1 2 392.503 4.088 20 0 GIADLO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181155636 821668409 /nfs/dbraw/zinc/66/84/09/821668409.db2.gz IPBBDFGOBMRTAR-QGZVFWFLSA-N 1 2 392.503 4.088 20 0 GIADLO O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000044819267 821668946 /nfs/dbraw/zinc/66/89/46/821668946.db2.gz VTMCEWBUSVGXLF-DCQHUWKXSA-N 1 2 380.454 4.213 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000181256943 821721519 /nfs/dbraw/zinc/72/15/19/821721519.db2.gz IUAONBDRYSECEB-UHFFFAOYSA-N 1 2 383.446 4.116 20 0 GIADLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181275202 821728006 /nfs/dbraw/zinc/72/80/06/821728006.db2.gz CZHCIQYRCZFERV-CQSZACIVSA-N 1 2 381.407 4.288 20 0 GIADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(-c3ccc(Br)cc3)[nH]1)CC2 ZINC000181275231 821728439 /nfs/dbraw/zinc/72/84/39/821728439.db2.gz CVESYIZQGFIDQC-QGZVFWFLSA-N 1 2 399.292 4.020 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(N2CCOC2=O)c1 ZINC000181302454 821744690 /nfs/dbraw/zinc/74/46/90/821744690.db2.gz PEAFEEYXWQKEOR-CYBMUJFWSA-N 1 2 398.850 4.197 20 0 GIADLO Cc1ccccc1-c1noc([C@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000181312903 821751996 /nfs/dbraw/zinc/75/19/96/821751996.db2.gz WRWGVTMOAOZYMC-CVEARBPZSA-N 1 2 392.459 4.413 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1cccc(N2CCOC2=O)c1 ZINC000181315868 821753903 /nfs/dbraw/zinc/75/39/03/821753903.db2.gz HEKHDVUFRFOCBT-CYBMUJFWSA-N 1 2 398.850 4.197 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccccc2)no1 ZINC000181339616 821770244 /nfs/dbraw/zinc/77/02/44/821770244.db2.gz XDFJAMDFQFSPBX-HOTGVXAUSA-N 1 2 376.460 4.275 20 0 GIADLO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1cccc(Cl)c1O ZINC000181385020 821798833 /nfs/dbraw/zinc/79/88/33/821798833.db2.gz ICKZBWNEEBGZQC-OAHLLOKOSA-N 1 2 387.911 4.153 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1nc(Cc2ccccc2)no1 ZINC000181389199 821801110 /nfs/dbraw/zinc/80/11/10/821801110.db2.gz LETALDYMBNWMCI-IAGOWNOFSA-N 1 2 390.487 4.199 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1nnc(-c2ccccc2)o1 ZINC000181393368 821803941 /nfs/dbraw/zinc/80/39/41/821803941.db2.gz XYFDCLNSUDRVLI-JKSUJKDBSA-N 1 2 376.460 4.275 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1cccc(N2CCCC2=O)c1 ZINC000181393348 821804011 /nfs/dbraw/zinc/80/40/11/821804011.db2.gz XYFDCLNSUDRVLI-CVEARBPZSA-N 1 2 376.460 4.275 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)n2)cc1 ZINC000181406345 821809322 /nfs/dbraw/zinc/80/93/22/821809322.db2.gz XNYCGZKOLQFGGR-MRXNPFEDSA-N 1 2 390.487 4.277 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1cccc(N2CCCC2=O)c1 ZINC000181439156 821827566 /nfs/dbraw/zinc/82/75/66/821827566.db2.gz LZJPZZIWZWUNLD-AWEZNQCLSA-N 1 2 396.878 4.368 20 0 GIADLO CC(C)c1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)n2)cc1 ZINC000181525565 821866723 /nfs/dbraw/zinc/86/67/23/821866723.db2.gz LJIASNHOPXJCTE-MRXNPFEDSA-N 1 2 388.475 4.292 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000181630341 821913068 /nfs/dbraw/zinc/91/30/68/821913068.db2.gz YPFSOUKDLMFBJH-HXUWFJFHSA-N 1 2 385.462 4.434 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)ccc1OCC(C)C ZINC000181712581 821955863 /nfs/dbraw/zinc/95/58/63/821955863.db2.gz HGWAKHMNBJTREQ-HNNXBMFYSA-N 1 2 384.524 4.385 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1c(F)cccc1Cl ZINC000181732479 821966044 /nfs/dbraw/zinc/96/60/44/821966044.db2.gz AILGPVXZHLBAIJ-AWEZNQCLSA-N 1 2 375.875 4.369 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(C(F)(F)F)cc1Cl ZINC000181742283 821972073 /nfs/dbraw/zinc/97/20/73/821972073.db2.gz MFPONGISUDIJGX-UHFFFAOYSA-N 1 2 383.801 4.153 20 0 GIADLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccccc1Oc1ccccc1)c1ccccc1 ZINC000181771113 821986464 /nfs/dbraw/zinc/98/64/64/821986464.db2.gz UHTIHQVXBKTUNS-OAQYLSRUSA-N 1 2 381.497 4.354 20 0 GIADLO CS(=O)(=O)C[C@@H]([NH2+]Cc1sc2ccccc2c1Cl)c1ccccc1 ZINC000181788147 821992832 /nfs/dbraw/zinc/99/28/32/821992832.db2.gz XCPSCLPNRFTVSZ-OAHLLOKOSA-N 1 2 379.934 4.430 20 0 GIADLO Cc1cc(=O)n2nc(C[NH2+][C@@H](C)c3ccc(Oc4ccccc4)cc3)sc2n1 ZINC000181814992 822004239 /nfs/dbraw/zinc/00/42/39/822004239.db2.gz VZUKWYSENGMCLX-HNNXBMFYSA-N 1 2 392.484 4.103 20 0 GIADLO Cc1cc(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)cc[nH+]1 ZINC000181820405 822005773 /nfs/dbraw/zinc/00/57/73/822005773.db2.gz RBNHTULQDOPFQR-UHFFFAOYSA-N 1 2 376.185 4.199 20 0 GIADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000181833826 822011170 /nfs/dbraw/zinc/01/11/70/822011170.db2.gz ZMZHCDMJCMDSOQ-NRFANRHFSA-N 1 2 381.451 4.184 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C(C)C)no2)cc1 ZINC000181973265 822049184 /nfs/dbraw/zinc/04/91/84/822049184.db2.gz BWLKHNWXOKNTEW-OAQYLSRUSA-N 1 2 395.459 4.003 20 0 GIADLO COc1cc(N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1N1CCCC1=O ZINC000181983162 822052691 /nfs/dbraw/zinc/05/26/91/822052691.db2.gz QNEHFZGBUPPUIC-INIZCTEOSA-N 1 2 376.460 4.181 20 0 GIADLO COC[C@@H](Cc1ccccc1)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000182048105 822073172 /nfs/dbraw/zinc/07/31/72/822073172.db2.gz SYEVMMYISRJPRC-OAQYLSRUSA-N 1 2 381.545 4.445 20 0 GIADLO COC[C@@H](Cc1ccccc1)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000182048105 822073176 /nfs/dbraw/zinc/07/31/76/822073176.db2.gz SYEVMMYISRJPRC-OAQYLSRUSA-N 1 2 381.545 4.445 20 0 GIADLO Cc1cccn2cc(C[S@](=O)Cc3ccc(Br)cc3C)[nH+]c12 ZINC000182079789 822085039 /nfs/dbraw/zinc/08/50/39/822085039.db2.gz MAVYPETXSBJNQS-JOCHJYFZSA-N 1 2 377.307 4.163 20 0 GIADLO COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1)c1ccccn1 ZINC000182172076 822130063 /nfs/dbraw/zinc/13/00/63/822130063.db2.gz MLVGNOYOPAUXBF-WAIKUNEKSA-N 1 2 375.472 4.489 20 0 GIADLO COCc1noc(C[N@H+](Cc2ccc(-c3ccccc3OC)cc2)C(C)C)n1 ZINC000182351226 822211110 /nfs/dbraw/zinc/21/11/10/822211110.db2.gz PLUGGCJFBJNEEC-UHFFFAOYSA-N 1 2 381.476 4.302 20 0 GIADLO COCc1noc(C[N@@H+](Cc2ccc(-c3ccccc3OC)cc2)C(C)C)n1 ZINC000182351226 822211113 /nfs/dbraw/zinc/21/11/13/822211113.db2.gz PLUGGCJFBJNEEC-UHFFFAOYSA-N 1 2 381.476 4.302 20 0 GIADLO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000182416553 822235213 /nfs/dbraw/zinc/23/52/13/822235213.db2.gz ZRTHPAVESNGEMI-UHFFFAOYSA-N 1 2 381.863 4.007 20 0 GIADLO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1nc(-c2ccccc2)cs1 ZINC000177953166 822255873 /nfs/dbraw/zinc/25/58/73/822255873.db2.gz GXSFCMXSWHVSEF-CQSZACIVSA-N 1 2 377.473 4.018 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000178056066 822302905 /nfs/dbraw/zinc/30/29/05/822302905.db2.gz IDIQIHQDDPDMQU-IRXDYDNUSA-N 1 2 388.496 4.310 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000178056078 822302951 /nfs/dbraw/zinc/30/29/51/822302951.db2.gz IDIQIHQDDPDMQU-IAGOWNOFSA-N 1 2 388.496 4.310 20 0 GIADLO CCOc1ccc(-c2nc(C)c(C(=O)NCc3ccn4cc[nH+]c4c3)s2)cc1 ZINC000178061425 822305340 /nfs/dbraw/zinc/30/53/40/822305340.db2.gz LQQBGALGCWEKRM-UHFFFAOYSA-N 1 2 392.484 4.095 20 0 GIADLO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000182634757 822332520 /nfs/dbraw/zinc/33/25/20/822332520.db2.gz ABSSFSKZSLCOFG-GOSISDBHSA-N 1 2 386.879 4.079 20 0 GIADLO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000182634757 822332528 /nfs/dbraw/zinc/33/25/28/822332528.db2.gz ABSSFSKZSLCOFG-GOSISDBHSA-N 1 2 386.879 4.079 20 0 GIADLO Cn1ncnc1C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000178157811 822336719 /nfs/dbraw/zinc/33/67/19/822336719.db2.gz CUBOGWFGYQLMLJ-QGZVFWFLSA-N 1 2 379.266 4.335 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000178166941 822338843 /nfs/dbraw/zinc/33/88/43/822338843.db2.gz NUKGHCNYCFXIMN-UHFFFAOYSA-N 1 2 383.411 4.464 20 0 GIADLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000182659301 822342496 /nfs/dbraw/zinc/34/24/96/822342496.db2.gz KFOYGXLEJGQSLZ-VFNWGFHPSA-N 1 2 375.896 4.461 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cc(F)ccc1SCC(F)F ZINC000178210530 822353458 /nfs/dbraw/zinc/35/34/58/822353458.db2.gz MOUDVUCMGGVHOM-UHFFFAOYSA-N 1 2 380.395 4.152 20 0 GIADLO COc1cccc([C@H]([NH2+][C@@H](C)c2cn(C)nc2C)c2cc(F)ccc2OC)c1 ZINC000178225209 822356123 /nfs/dbraw/zinc/35/61/23/822356123.db2.gz SLJFSDQUSSBDKS-FPTDNZKUSA-N 1 2 383.467 4.325 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H](c1ccco1)c1ccccc1 ZINC000045152254 822366437 /nfs/dbraw/zinc/36/64/37/822366437.db2.gz MJOMHHIIBZTGQS-QFIPXVFZSA-N 1 2 386.455 4.113 20 0 GIADLO CSc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000178331911 822368146 /nfs/dbraw/zinc/36/81/46/822368146.db2.gz CWMQHGPFUWPHJM-SFTDATJTSA-N 1 2 392.528 4.333 20 0 GIADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000178367430 822371935 /nfs/dbraw/zinc/37/19/35/822371935.db2.gz WLMXWOKVMUAFQN-CTNGQTDRSA-N 1 2 380.513 4.135 20 0 GIADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000178367430 822371939 /nfs/dbraw/zinc/37/19/39/822371939.db2.gz WLMXWOKVMUAFQN-CTNGQTDRSA-N 1 2 380.513 4.135 20 0 GIADLO O=C(CCCOc1cccc(Cl)c1Cl)NCc1ccn2cc[nH+]c2c1 ZINC000178372196 822372352 /nfs/dbraw/zinc/37/23/52/822372352.db2.gz YTABBVQVPJRZCS-UHFFFAOYSA-N 1 2 378.259 4.117 20 0 GIADLO O=C(CCSc1ccnc2cc(Cl)ccc21)NCc1ccn2cc[nH+]c2c1 ZINC000178385986 822373803 /nfs/dbraw/zinc/37/38/03/822373803.db2.gz QPDIGSZIHOEOKR-UHFFFAOYSA-N 1 2 396.903 4.335 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000045270668 822375153 /nfs/dbraw/zinc/37/51/53/822375153.db2.gz RVUNLMAQAUFNMV-HNNXBMFYSA-N 1 2 376.913 4.073 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CCc3ccccc32)C[C@H](C)O1 ZINC000045305733 822377944 /nfs/dbraw/zinc/37/79/44/822377944.db2.gz XZFJLNKRAGEQEQ-PNLZDCPESA-N 1 2 379.504 4.105 20 0 GIADLO C[C@@H](Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(-n2cnnn2)cc1 ZINC000182882528 822385397 /nfs/dbraw/zinc/38/53/97/822385397.db2.gz KOXOAXBZJRHAJR-MRXNPFEDSA-N 1 2 385.475 4.035 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(Cc3nc(C(F)(F)F)cs3)CC2)c1 ZINC000178660078 822400503 /nfs/dbraw/zinc/40/05/03/822400503.db2.gz LOGYEUNDXPYUIK-ZDUSSCGKSA-N 1 2 385.455 4.049 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc(N(C)C)c3C)c2C1 ZINC000182985739 822405405 /nfs/dbraw/zinc/40/54/05/822405405.db2.gz KISMQIXCLAUOFR-UHFFFAOYSA-N 1 2 388.515 4.240 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc(N(C)C)c3C)c2C1 ZINC000182985739 822405407 /nfs/dbraw/zinc/40/54/07/822405407.db2.gz KISMQIXCLAUOFR-UHFFFAOYSA-N 1 2 388.515 4.240 20 0 GIADLO Fc1ccc(OCc2noc(C[NH2+]C3(c4ccc(F)cc4)CCCC3)n2)cc1 ZINC000178830860 822414714 /nfs/dbraw/zinc/41/47/14/822414714.db2.gz AMJNVGZCOXTLCS-UHFFFAOYSA-N 1 2 385.414 4.486 20 0 GIADLO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860121 822419381 /nfs/dbraw/zinc/41/93/81/822419381.db2.gz MXVYLQWFVFNXRY-ZDUSSCGKSA-N 1 2 386.249 4.041 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@@H](C[S@@](C)=O)c3ccccc3)cs2)cc1 ZINC000183068571 822420009 /nfs/dbraw/zinc/42/00/09/822420009.db2.gz GSQDIPIVIHHFEF-AFMDSPMNSA-N 1 2 386.542 4.028 20 0 GIADLO COc1cccc(-c2nc(C[NH2+][C@@H](C[S@](C)=O)c3ccccc3)cs2)c1 ZINC000183117592 822426717 /nfs/dbraw/zinc/42/67/17/822426717.db2.gz SHWHGAQUNDIVHK-SIBVEZHUSA-N 1 2 386.542 4.028 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCCc3ccccc3)n2)C1 ZINC000045976762 822428616 /nfs/dbraw/zinc/42/86/16/822428616.db2.gz IGAIKHGMXYPECI-KRWDZBQOSA-N 1 2 386.565 4.472 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCCc3ccccc3)n2)C1 ZINC000045976762 822428620 /nfs/dbraw/zinc/42/86/20/822428620.db2.gz IGAIKHGMXYPECI-KRWDZBQOSA-N 1 2 386.565 4.472 20 0 GIADLO CCOc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccccc3-n3cccn3)n2)cc1 ZINC000183138635 822429465 /nfs/dbraw/zinc/42/94/65/822429465.db2.gz WZDFOLYHPZEUDF-INIZCTEOSA-N 1 2 389.459 4.172 20 0 GIADLO COc1ccccc1-c1nc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cs1 ZINC000183156353 822432761 /nfs/dbraw/zinc/43/27/61/822432761.db2.gz LIVORHWYHDIFSE-DWXRJYCRSA-N 1 2 386.542 4.028 20 0 GIADLO Cc1ccccc1Nc1nc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cs1 ZINC000183168991 822434797 /nfs/dbraw/zinc/43/47/97/822434797.db2.gz FDBMKEIFUYCDMI-NIYFSFCBSA-N 1 2 385.558 4.405 20 0 GIADLO CC[C@H](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC)cc1 ZINC000179067441 822434997 /nfs/dbraw/zinc/43/49/97/822434997.db2.gz YMCDBBPBABFQEH-HXUWFJFHSA-N 1 2 377.488 4.140 20 0 GIADLO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000183200171 822440308 /nfs/dbraw/zinc/44/03/08/822440308.db2.gz RFESQTWKFOAXMU-LBPRGKRZSA-N 1 2 377.311 4.251 20 0 GIADLO CN(C)c1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(F)c1 ZINC000179125553 822441041 /nfs/dbraw/zinc/44/10/41/822441041.db2.gz JALKMXIHFXRPBZ-UHFFFAOYSA-N 1 2 378.451 4.344 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000046099663 822441076 /nfs/dbraw/zinc/44/10/76/822441076.db2.gz CAQBTFZCUDBYPA-XMMPIXPASA-N 1 2 397.478 4.368 20 0 GIADLO Cc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1NC(=O)c1ccco1 ZINC000046106027 822441550 /nfs/dbraw/zinc/44/15/50/822441550.db2.gz GJTHQXBXIRICKE-UHFFFAOYSA-N 1 2 386.411 4.278 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3c(F)cccc3F)n2)C1 ZINC000454247365 822443167 /nfs/dbraw/zinc/44/31/67/822443167.db2.gz NSQFIQARJIFWER-CYBMUJFWSA-N 1 2 394.491 4.317 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3c(F)cccc3F)n2)C1 ZINC000454247365 822443170 /nfs/dbraw/zinc/44/31/70/822443170.db2.gz NSQFIQARJIFWER-CYBMUJFWSA-N 1 2 394.491 4.317 20 0 GIADLO CC(C)(C)c1cnc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)o1 ZINC000046213244 822450860 /nfs/dbraw/zinc/45/08/60/822450860.db2.gz RMIUASDIIKWDPO-UHFFFAOYSA-N 1 2 397.548 4.441 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454300643 822454337 /nfs/dbraw/zinc/45/43/37/822454337.db2.gz JVPTXRDRBVTZOF-NRFANRHFSA-N 1 2 390.487 4.004 20 0 GIADLO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000179238519 822455788 /nfs/dbraw/zinc/45/57/88/822455788.db2.gz GLJZCQPOHCDYCZ-ZDUSSCGKSA-N 1 2 399.354 4.480 20 0 GIADLO COc1cc(CNC(=O)NCc2c[nH+]c(C)cc2C)ccc1OCCC(C)C ZINC000454313051 822456676 /nfs/dbraw/zinc/45/66/76/822456676.db2.gz GFMPWJUKKKHVIA-UHFFFAOYSA-N 1 2 385.508 4.131 20 0 GIADLO O=C1CCCN1c1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183353294 822462591 /nfs/dbraw/zinc/46/25/91/822462591.db2.gz MFRCVHPOYUAWMI-QHCPKHFHSA-N 1 2 375.447 4.227 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2csc(-c3ccco3)n2)C[C@H](C)O1 ZINC000046340779 822462771 /nfs/dbraw/zinc/46/27/71/822462771.db2.gz XLJMRNIZQXNMJK-GJZGRUSLSA-N 1 2 397.500 4.265 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)no2)C[C@H](C)O1 ZINC000046341039 822462912 /nfs/dbraw/zinc/46/29/12/822462912.db2.gz GQASILFZUDMJSZ-IRXDYDNUSA-N 1 2 391.471 4.203 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c[nH+]1 ZINC000454409010 822470835 /nfs/dbraw/zinc/47/08/35/822470835.db2.gz NVBQERSBHDBVSU-HOTGVXAUSA-N 1 2 394.519 4.138 20 0 GIADLO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1ncn(-c2ccccc2)n1)c1cccs1 ZINC000179359424 822470946 /nfs/dbraw/zinc/47/09/46/822470946.db2.gz LBFWVQIUYRPVSY-OALUTQOASA-N 1 2 382.533 4.197 20 0 GIADLO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1ncn(-c2ccccc2)n1)c1cccs1 ZINC000179359424 822470947 /nfs/dbraw/zinc/47/09/47/822470947.db2.gz LBFWVQIUYRPVSY-OALUTQOASA-N 1 2 382.533 4.197 20 0 GIADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H]1CF ZINC000454458247 822478842 /nfs/dbraw/zinc/47/88/42/822478842.db2.gz PAVRDUXDJXDVOG-NRFANRHFSA-N 1 2 392.478 4.242 20 0 GIADLO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)Cc2cccc(O)c2)cc1 ZINC000179420427 822479941 /nfs/dbraw/zinc/47/99/41/822479941.db2.gz VPBZVKSLLDCUFR-UHFFFAOYSA-N 1 2 376.456 4.080 20 0 GIADLO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)Cc2cccc(O)c2)cc1 ZINC000179420427 822479943 /nfs/dbraw/zinc/47/99/43/822479943.db2.gz VPBZVKSLLDCUFR-UHFFFAOYSA-N 1 2 376.456 4.080 20 0 GIADLO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(SC)cc1OC ZINC000179425828 822480841 /nfs/dbraw/zinc/48/08/41/822480841.db2.gz OMRNZYRVJIBKFK-IBGZPJMESA-N 1 2 377.481 4.138 20 0 GIADLO COc1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(SC)cc1OC ZINC000179425828 822480843 /nfs/dbraw/zinc/48/08/43/822480843.db2.gz OMRNZYRVJIBKFK-IBGZPJMESA-N 1 2 377.481 4.138 20 0 GIADLO Brc1cnn(CCc2ccc(NCc3cccc4[nH+]ccn43)cc2)c1 ZINC000179428085 822481208 /nfs/dbraw/zinc/48/12/08/822481208.db2.gz HDJQZWBHNSOBQR-UHFFFAOYSA-N 1 2 396.292 4.148 20 0 GIADLO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000183492727 822485043 /nfs/dbraw/zinc/48/50/43/822485043.db2.gz ANKMDLUZQYXUQW-HNNXBMFYSA-N 1 2 382.485 4.213 20 0 GIADLO CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000179469790 822487265 /nfs/dbraw/zinc/48/72/65/822487265.db2.gz ZTDCFDZFXBOAPX-UHFFFAOYSA-N 1 2 399.498 4.262 20 0 GIADLO Cc1cccc([C@@H](C)NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000454518491 822489701 /nfs/dbraw/zinc/48/97/01/822489701.db2.gz WCBSGCJBWLDGTE-CEXWTWQISA-N 1 2 381.520 4.487 20 0 GIADLO Cc1cccc([C@@H](C)NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000454518491 822489704 /nfs/dbraw/zinc/48/97/04/822489704.db2.gz WCBSGCJBWLDGTE-CEXWTWQISA-N 1 2 381.520 4.487 20 0 GIADLO O=C(CCSc1ccccc1Cl)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046616721 822493379 /nfs/dbraw/zinc/49/33/79/822493379.db2.gz QUKZPBSVZJTQOT-UHFFFAOYSA-N 1 2 375.925 4.002 20 0 GIADLO CCOc1cc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)cc(Cl)c1OC ZINC000179529323 822497760 /nfs/dbraw/zinc/49/77/60/822497760.db2.gz GUFWASISVKBGSA-UHFFFAOYSA-N 1 2 388.895 4.264 20 0 GIADLO CCOc1cc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)cc(Cl)c1OC ZINC000179529323 822497762 /nfs/dbraw/zinc/49/77/62/822497762.db2.gz GUFWASISVKBGSA-UHFFFAOYSA-N 1 2 388.895 4.264 20 0 GIADLO CC(C)Oc1ccccc1[C@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046648123 822498088 /nfs/dbraw/zinc/49/80/88/822498088.db2.gz QRAIHRPHTVBRRQ-SFHVURJKSA-N 1 2 392.503 4.279 20 0 GIADLO O=C1CCCN1C[C@@H]([NH2+]Cc1csc(Nc2ccccc2)n1)c1ccccc1 ZINC000179550257 822501504 /nfs/dbraw/zinc/50/15/04/822501504.db2.gz QXCSKVHMQBMZMQ-HXUWFJFHSA-N 1 2 392.528 4.340 20 0 GIADLO CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(C)c1 ZINC000179550465 822501762 /nfs/dbraw/zinc/50/17/62/822501762.db2.gz PGNBEMBSDDXVPD-VQTJNVASSA-N 1 2 389.446 4.239 20 0 GIADLO CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(C)c1 ZINC000179550465 822501765 /nfs/dbraw/zinc/50/17/65/822501765.db2.gz PGNBEMBSDDXVPD-VQTJNVASSA-N 1 2 389.446 4.239 20 0 GIADLO CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(C)c1 ZINC000179550455 822501836 /nfs/dbraw/zinc/50/18/36/822501836.db2.gz PGNBEMBSDDXVPD-WOJBJXKFSA-N 1 2 389.446 4.239 20 0 GIADLO CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(C)c1 ZINC000179550455 822501840 /nfs/dbraw/zinc/50/18/40/822501840.db2.gz PGNBEMBSDDXVPD-WOJBJXKFSA-N 1 2 389.446 4.239 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cn(C)nc1CC ZINC000179571104 822505421 /nfs/dbraw/zinc/50/54/21/822505421.db2.gz VQLHTQSJLOYZAQ-UHFFFAOYSA-N 1 2 383.323 4.140 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cn(C)nc1CC ZINC000179571104 822505424 /nfs/dbraw/zinc/50/54/24/822505424.db2.gz VQLHTQSJLOYZAQ-UHFFFAOYSA-N 1 2 383.323 4.140 20 0 GIADLO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179590828 822508506 /nfs/dbraw/zinc/50/85/06/822508506.db2.gz JWEJXOKUCSDDRD-UHFFFAOYSA-N 1 2 394.906 4.078 20 0 GIADLO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179590828 822508507 /nfs/dbraw/zinc/50/85/07/822508507.db2.gz JWEJXOKUCSDDRD-UHFFFAOYSA-N 1 2 394.906 4.078 20 0 GIADLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(-c2ccccc2Br)s1 ZINC000179592394 822508849 /nfs/dbraw/zinc/50/88/49/822508849.db2.gz CDYCRZXNZUETTK-LLVKDONJSA-N 1 2 377.311 4.157 20 0 GIADLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(-c2ccccc2Br)s1 ZINC000179592383 822508933 /nfs/dbraw/zinc/50/89/33/822508933.db2.gz CDYCRZXNZUETTK-NSHDSACASA-N 1 2 377.311 4.157 20 0 GIADLO O=C(Nc1cc(Cl)ccc1-n1cccn1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000046724440 822509949 /nfs/dbraw/zinc/50/99/49/822509949.db2.gz ZYAVECRYVRTQKJ-UHFFFAOYSA-N 1 2 377.835 4.023 20 0 GIADLO CCC(=O)Nc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000183701198 822513830 /nfs/dbraw/zinc/51/38/30/822513830.db2.gz PCEBIKCJPYYWCB-OAHLLOKOSA-N 1 2 386.521 4.007 20 0 GIADLO O[C@H]1Cc2ccccc2[C@H]1[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183715228 822515835 /nfs/dbraw/zinc/51/58/35/822515835.db2.gz QEABQJZNHAHBAL-YSIASYRMSA-N 1 2 384.273 4.379 20 0 GIADLO CC(=O)Nc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000179629051 822515869 /nfs/dbraw/zinc/51/58/69/822515869.db2.gz HMYCZGAYVXKWEG-UHFFFAOYSA-N 1 2 380.275 4.022 20 0 GIADLO CC(=O)Nc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000179629051 822515872 /nfs/dbraw/zinc/51/58/72/822515872.db2.gz HMYCZGAYVXKWEG-UHFFFAOYSA-N 1 2 380.275 4.022 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3ccnn3C(C)C)CC2)c(C)c1 ZINC000046780516 822516562 /nfs/dbraw/zinc/51/65/62/822516562.db2.gz RFRLBUYAOSDABS-GOSISDBHSA-N 1 2 396.535 4.003 20 0 GIADLO COCc1cc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)ccc1F ZINC000183739303 822519650 /nfs/dbraw/zinc/51/96/50/822519650.db2.gz ITAFHMNNGVZEHA-UHFFFAOYSA-N 1 2 395.265 4.149 20 0 GIADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cc2ccccc2o1 ZINC000179653365 822520619 /nfs/dbraw/zinc/52/06/19/822520619.db2.gz BSTZVRNGKNOIMF-UHFFFAOYSA-N 1 2 375.428 4.085 20 0 GIADLO Cn1c(C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)nc2ccccc2c1=O ZINC000179673348 822524288 /nfs/dbraw/zinc/52/42/88/822524288.db2.gz KECGRWLOGMCKEK-JOCHJYFZSA-N 1 2 387.458 4.146 20 0 GIADLO C[C@@]1(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000454753484 822528343 /nfs/dbraw/zinc/52/83/43/822528343.db2.gz HBAVRARUNDZGAV-CVDCTZTESA-N 1 2 390.487 4.277 20 0 GIADLO CSc1ccc([C@@H](C)NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000046920767 822531032 /nfs/dbraw/zinc/53/10/32/822531032.db2.gz LXXLEBLWVIEOBI-MRXNPFEDSA-N 1 2 380.517 4.214 20 0 GIADLO CCN(Cc1ccccc1Cl)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046921480 822531245 /nfs/dbraw/zinc/53/12/45/822531245.db2.gz PWBHTEUEBILWTJ-UHFFFAOYSA-N 1 2 382.895 4.317 20 0 GIADLO Cc1cccnc1CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000179719988 822534727 /nfs/dbraw/zinc/53/47/27/822534727.db2.gz OWOJLYRLTDMDKF-UHFFFAOYSA-N 1 2 379.533 4.249 20 0 GIADLO Cc1cnc(CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)s1 ZINC000179725521 822535944 /nfs/dbraw/zinc/53/59/44/822535944.db2.gz LKXWQIRAZURABT-LBPRGKRZSA-N 1 2 377.514 4.086 20 0 GIADLO C[C@H](CCCC(F)(F)F)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454851435 822545758 /nfs/dbraw/zinc/54/57/58/822545758.db2.gz CAHKERHATQPWML-GFCCVEGCSA-N 1 2 388.821 4.446 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(-c3ccccc3)nn2)CC1 ZINC000183976059 822556738 /nfs/dbraw/zinc/55/67/38/822556738.db2.gz LEGUCHHHSLEFBY-MRXNPFEDSA-N 1 2 393.516 4.116 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc(F)ccc2OC(F)F)CC1 ZINC000183979389 822557403 /nfs/dbraw/zinc/55/74/03/822557403.db2.gz FEJUZOXRNCFMNE-GFCCVEGCSA-N 1 2 399.438 4.399 20 0 GIADLO Fc1ccccc1-c1nc(CNc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000179811683 822557895 /nfs/dbraw/zinc/55/78/95/822557895.db2.gz KRDMDBGWXVKQSQ-UHFFFAOYSA-N 1 2 383.492 4.394 20 0 GIADLO O=C(C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000047258112 822559399 /nfs/dbraw/zinc/55/93/99/822559399.db2.gz IMSRIJRJYCNDMA-NRFANRHFSA-N 1 2 393.874 4.248 20 0 GIADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000047259454 822559527 /nfs/dbraw/zinc/55/95/27/822559527.db2.gz FJARBADWKYHGFA-INIZCTEOSA-N 1 2 379.529 4.178 20 0 GIADLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000047259454 822559532 /nfs/dbraw/zinc/55/95/32/822559532.db2.gz FJARBADWKYHGFA-INIZCTEOSA-N 1 2 379.529 4.178 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000047269151 822560128 /nfs/dbraw/zinc/56/01/28/822560128.db2.gz SRESNRNRQTZJMY-UHFFFAOYSA-N 1 2 386.455 4.092 20 0 GIADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c(C(C)(C)C)n1 ZINC000179840353 822564078 /nfs/dbraw/zinc/56/40/78/822564078.db2.gz GCHKTSOMLMUHTH-QGZVFWFLSA-N 1 2 392.341 4.054 20 0 GIADLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c(C(C)(C)C)n1 ZINC000179840353 822564080 /nfs/dbraw/zinc/56/40/80/822564080.db2.gz GCHKTSOMLMUHTH-QGZVFWFLSA-N 1 2 392.341 4.054 20 0 GIADLO Cc1cc(N(C)C)cc(C)c1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000184018567 822565154 /nfs/dbraw/zinc/56/51/54/822565154.db2.gz GPFZWQOTNGIAJJ-KRWDZBQOSA-N 1 2 386.565 4.342 20 0 GIADLO CC[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccccc1OCC(=O)N(C)C ZINC000179922826 822577968 /nfs/dbraw/zinc/57/79/68/822577968.db2.gz WMTIPVTULBETIR-HXUWFJFHSA-N 1 2 396.535 4.102 20 0 GIADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000179926871 822578401 /nfs/dbraw/zinc/57/84/01/822578401.db2.gz ZKROVPKRORRZDL-GFCCVEGCSA-N 1 2 395.272 4.195 20 0 GIADLO CC[C@@H](NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21)c1ccc(Cl)cc1 ZINC000179930752 822579043 /nfs/dbraw/zinc/57/90/43/822579043.db2.gz FIXNBYIELKBMHN-CQSZACIVSA-N 1 2 396.800 4.371 20 0 GIADLO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179934413 822580150 /nfs/dbraw/zinc/58/01/50/822580150.db2.gz KVNOWVIMZJWWLJ-UHFFFAOYSA-N 1 2 394.302 4.439 20 0 GIADLO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179934413 822580152 /nfs/dbraw/zinc/58/01/52/822580152.db2.gz KVNOWVIMZJWWLJ-UHFFFAOYSA-N 1 2 394.302 4.439 20 0 GIADLO O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000179937184 822580827 /nfs/dbraw/zinc/58/08/27/822580827.db2.gz OJFHZYRZCRQGQA-ZDUSSCGKSA-N 1 2 390.468 4.067 20 0 GIADLO Fc1cccc(Br)c1CNc1ccccc1C[NH+]1CCOCC1 ZINC000179954790 822585197 /nfs/dbraw/zinc/58/51/97/822585197.db2.gz MYJJTTFPSISTLA-UHFFFAOYSA-N 1 2 379.273 4.033 20 0 GIADLO O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000047510299 822585520 /nfs/dbraw/zinc/58/55/20/822585520.db2.gz UGPDFNJURZYFET-UHFFFAOYSA-N 1 2 378.432 4.311 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@H]2CCCOc3cc(F)ccc32)nnn1-c1ccc(F)cc1 ZINC000179963184 822586499 /nfs/dbraw/zinc/58/64/99/822586499.db2.gz BSYVRNUUNNIWHD-DJJJIMSYSA-N 1 2 384.430 4.418 20 0 GIADLO Cc1noc(CSc2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2)n1 ZINC000047533638 822588181 /nfs/dbraw/zinc/58/81/81/822588181.db2.gz KPXICDAIWSSRKG-UHFFFAOYSA-N 1 2 391.456 4.108 20 0 GIADLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1cccc(C2CC2)c1 ZINC000455121459 822592109 /nfs/dbraw/zinc/59/21/09/822592109.db2.gz VPXHQESMSJCRAK-MSOLQXFVSA-N 1 2 378.520 4.108 20 0 GIADLO CCOc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1Cl ZINC000047601619 822595513 /nfs/dbraw/zinc/59/55/13/822595513.db2.gz NPVNPUMOAQYRRQ-UHFFFAOYSA-N 1 2 398.894 4.348 20 0 GIADLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21)c1ccco1 ZINC000184206443 822596268 /nfs/dbraw/zinc/59/62/68/822596268.db2.gz CYLHUGJBHBTXDB-OXJNMPFZSA-N 1 2 381.476 4.158 20 0 GIADLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(-c4ccccc4F)o3)ccc2NC1=O ZINC000180012761 822596350 /nfs/dbraw/zinc/59/63/50/822596350.db2.gz SYDHWWCSOQFXMK-UGSOOPFHSA-N 1 2 395.434 4.441 20 0 GIADLO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](COCC(C)C)c2ccco2)cc1 ZINC000184210098 822596706 /nfs/dbraw/zinc/59/67/06/822596706.db2.gz XZWYKEHEIQPEPZ-MAUKXSAKSA-N 1 2 376.522 4.332 20 0 GIADLO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184214477 822597245 /nfs/dbraw/zinc/59/72/45/822597245.db2.gz AMKKPFNTNSASDP-MSOLQXFVSA-N 1 2 390.549 4.180 20 0 GIADLO CSc1ccc([C@H](CNC(=O)NC2CC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000047617071 822597369 /nfs/dbraw/zinc/59/73/69/822597369.db2.gz DWYXWHPGQNYIET-SFHVURJKSA-N 1 2 387.574 4.031 20 0 GIADLO CSc1ccc([C@H](CNC(=O)NC2CC2)[N@H+]2CCc3sccc3C2)cc1 ZINC000047617071 822597371 /nfs/dbraw/zinc/59/73/71/822597371.db2.gz DWYXWHPGQNYIET-SFHVURJKSA-N 1 2 387.574 4.031 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184217170 822597658 /nfs/dbraw/zinc/59/76/58/822597658.db2.gz CIHOFLJQYYDHRT-KRWDZBQOSA-N 1 2 394.899 4.192 20 0 GIADLO C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047625339 822597881 /nfs/dbraw/zinc/59/78/81/822597881.db2.gz HFUBTJQSRVCDOS-CVEARBPZSA-N 1 2 380.517 4.127 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047625336 822598015 /nfs/dbraw/zinc/59/80/15/822598015.db2.gz HFUBTJQSRVCDOS-JKSUJKDBSA-N 1 2 380.517 4.127 20 0 GIADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000184224233 822598982 /nfs/dbraw/zinc/59/89/82/822598982.db2.gz AUEQEMVIYAAMSJ-LPHOPBHVSA-N 1 2 391.508 4.081 20 0 GIADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000184224233 822598986 /nfs/dbraw/zinc/59/89/86/822598986.db2.gz AUEQEMVIYAAMSJ-LPHOPBHVSA-N 1 2 391.508 4.081 20 0 GIADLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(-c4cccs4)o3)ccc2NC1=O ZINC000180027566 822600276 /nfs/dbraw/zinc/60/02/76/822600276.db2.gz SDKPSULZIMJFLM-WFASDCNBSA-N 1 2 383.473 4.363 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)c2cccc(F)c2)cn1 ZINC000180039565 822602677 /nfs/dbraw/zinc/60/26/77/822602677.db2.gz ZJLSPWPEWFVUEO-JOCHJYFZSA-N 1 2 392.478 4.177 20 0 GIADLO CSc1cccc(NC(=O)C[N@H+](C)Cc2cc(Br)cs2)c1 ZINC000047751720 822606138 /nfs/dbraw/zinc/60/61/38/822606138.db2.gz FPAYDTYASBGNLL-UHFFFAOYSA-N 1 2 385.352 4.303 20 0 GIADLO CSc1cccc(NC(=O)C[N@@H+](C)Cc2cc(Br)cs2)c1 ZINC000047751720 822606140 /nfs/dbraw/zinc/60/61/40/822606140.db2.gz FPAYDTYASBGNLL-UHFFFAOYSA-N 1 2 385.352 4.303 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 ZINC000455211780 822609651 /nfs/dbraw/zinc/60/96/51/822609651.db2.gz PMIXWJQWEUZZCO-NHCUHLMSSA-N 1 2 382.552 4.451 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)c1C ZINC000180090891 822613461 /nfs/dbraw/zinc/61/34/61/822613461.db2.gz XWBDXUHPEOVSDU-UHFFFAOYSA-N 1 2 393.491 4.173 20 0 GIADLO C[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cccc(Cl)c1 ZINC000047893041 822617260 /nfs/dbraw/zinc/61/72/60/822617260.db2.gz QRIUFTASRQXIIO-MRXNPFEDSA-N 1 2 382.895 4.188 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nn1-c1ccccc1Cl ZINC000180128238 822621484 /nfs/dbraw/zinc/62/14/84/822621484.db2.gz PPFQMOQQEGTPGF-KSSFIOAISA-N 1 2 398.898 4.146 20 0 GIADLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1cc2c(cc1Br)OCCO2 ZINC000180137628 822624097 /nfs/dbraw/zinc/62/40/97/822624097.db2.gz PRLYCYGBYMOPAY-JTQLQIEISA-N 1 2 398.684 4.430 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000180139959 822624509 /nfs/dbraw/zinc/62/45/09/822624509.db2.gz FWJWLTQYLZHGEF-RISCZKNCSA-N 1 2 384.814 4.253 20 0 GIADLO CCC[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000048023763 822625654 /nfs/dbraw/zinc/62/56/54/822625654.db2.gz YFTJEZHBUHNWPQ-NRFANRHFSA-N 1 2 376.504 4.315 20 0 GIADLO COCC1(CCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCC1 ZINC000455292625 822629323 /nfs/dbraw/zinc/62/93/23/822629323.db2.gz SYSJXRDTQGOKCT-UHFFFAOYSA-N 1 2 382.508 4.215 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)c2cccc(F)c2)cn1 ZINC000180185222 822634846 /nfs/dbraw/zinc/63/48/46/822634846.db2.gz GLQOWUFGXFNLCJ-IBGZPJMESA-N 1 2 393.384 4.380 20 0 GIADLO CC(C)COc1ccccc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000048118221 822634884 /nfs/dbraw/zinc/63/48/84/822634884.db2.gz PILVCZCKZFBSBX-UHFFFAOYSA-N 1 2 378.476 4.288 20 0 GIADLO COCCOC(=O)Nc1cccc(N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000180185829 822634941 /nfs/dbraw/zinc/63/49/41/822634941.db2.gz PIWVAPHEWYLFPM-INIZCTEOSA-N 1 2 380.448 4.240 20 0 GIADLO Fc1cccc(OC[C@@H]([NH2+]Cc2cc[nH]n2)c2cccc(C(F)(F)F)c2)c1 ZINC000180207526 822639636 /nfs/dbraw/zinc/63/96/36/822639636.db2.gz VYABAKHGRIAXEL-GOSISDBHSA-N 1 2 379.357 4.478 20 0 GIADLO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c(C)c1 ZINC000184469039 822641461 /nfs/dbraw/zinc/64/14/61/822641461.db2.gz BXLBXBGHCWPKND-AWEZNQCLSA-N 1 2 388.537 4.056 20 0 GIADLO O=C(Nc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1)[C@@H]1CCCO1 ZINC000180230394 822644463 /nfs/dbraw/zinc/64/44/63/822644463.db2.gz VXYWHSMKDSRSOK-GOTSBHOMSA-N 1 2 387.483 4.078 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(Cl)c1 ZINC000184497001 822645708 /nfs/dbraw/zinc/64/57/08/822645708.db2.gz AYZWXKMNIPZYCI-JKSUJKDBSA-N 1 2 380.916 4.029 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(Cl)c1 ZINC000184497001 822645710 /nfs/dbraw/zinc/64/57/10/822645710.db2.gz AYZWXKMNIPZYCI-JKSUJKDBSA-N 1 2 380.916 4.029 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184503522 822646767 /nfs/dbraw/zinc/64/67/67/822646767.db2.gz UWVYLUHEVPHIHN-QWHCGFSZSA-N 1 2 391.537 4.136 20 0 GIADLO COCc1noc(C[NH2+][C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)n1 ZINC000184511968 822648218 /nfs/dbraw/zinc/64/82/18/822648218.db2.gz JOLDCXSTIIGFDH-SNVBAGLBSA-N 1 2 378.885 4.152 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1CCSc2ccc(F)cc21 ZINC000048247652 822648337 /nfs/dbraw/zinc/64/83/37/822648337.db2.gz UPUJPBCNBNPKHB-IBGZPJMESA-N 1 2 396.491 4.107 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)Nc1cc2oc3ccccc3c2cc1OC)c1ccco1 ZINC000184518494 822649781 /nfs/dbraw/zinc/64/97/81/822649781.db2.gz XWRBGEIQFCVKDF-QGZVFWFLSA-N 1 2 394.427 4.103 20 0 GIADLO Cc1cc(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)ccc1Br ZINC000048273424 822650785 /nfs/dbraw/zinc/65/07/85/822650785.db2.gz SGPZULBBZCNBSO-UHFFFAOYSA-N 1 2 376.298 4.002 20 0 GIADLO Cc1cc(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)ccc1Br ZINC000048273424 822650786 /nfs/dbraw/zinc/65/07/86/822650786.db2.gz SGPZULBBZCNBSO-UHFFFAOYSA-N 1 2 376.298 4.002 20 0 GIADLO Cc1c(-c2cc(C[N@@H+]3CCSC[C@H]3c3ccc(Cl)cc3)on2)cnn1C ZINC000184560466 822657600 /nfs/dbraw/zinc/65/76/00/822657600.db2.gz RETNCBMOONQQLD-IBGZPJMESA-N 1 2 388.924 4.327 20 0 GIADLO Cc1c(-c2cc(C[N@H+]3CCSC[C@H]3c3ccc(Cl)cc3)on2)cnn1C ZINC000184560466 822657601 /nfs/dbraw/zinc/65/76/01/822657601.db2.gz RETNCBMOONQQLD-IBGZPJMESA-N 1 2 388.924 4.327 20 0 GIADLO Cc1cc(C)n(-c2ccc(CCNC(=O)Nc3c(C)cc(C)[nH+]c3C)cc2)n1 ZINC000455462320 822659109 /nfs/dbraw/zinc/65/91/09/822659109.db2.gz BYGSNLHEKDURMJ-UHFFFAOYSA-N 1 2 377.492 4.174 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C)[nH+]1 ZINC000455478447 822662483 /nfs/dbraw/zinc/66/24/83/822662483.db2.gz FYDWUXMPLUPRLN-AEFFLSMTSA-N 1 2 377.847 4.451 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c(C)[nH+]1 ZINC000455486545 822663944 /nfs/dbraw/zinc/66/39/44/822663944.db2.gz KZHZLMFBJZQAMH-CQSZACIVSA-N 1 2 383.427 4.387 20 0 GIADLO Cc1cc(C)c(NC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c(C)[nH+]1 ZINC000455491142 822665017 /nfs/dbraw/zinc/66/50/17/822665017.db2.gz XROYDDQHIYPCKN-UHFFFAOYSA-N 1 2 397.504 4.097 20 0 GIADLO CC(C)Oc1ccccc1[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000048485382 822667026 /nfs/dbraw/zinc/66/70/26/822667026.db2.gz ZTVIYKZWIAGDLS-KRWDZBQOSA-N 1 2 382.508 4.029 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000184635761 822669091 /nfs/dbraw/zinc/66/90/91/822669091.db2.gz BJCPNNTVHPLSBJ-UHFFFAOYSA-N 1 2 390.915 4.015 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)c(C)[nH+]1 ZINC000455515271 822669341 /nfs/dbraw/zinc/66/93/41/822669341.db2.gz KCRAMNMKOXNPDX-GOSISDBHSA-N 1 2 382.291 4.343 20 0 GIADLO COc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c(C(F)(F)F)c1 ZINC000048550054 822671581 /nfs/dbraw/zinc/67/15/81/822671581.db2.gz FKXLTJTVHRMYPM-UHFFFAOYSA-N 1 2 399.438 4.125 20 0 GIADLO CCN(Cc1cccc(Br)c1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455540339 822672229 /nfs/dbraw/zinc/67/22/29/822672229.db2.gz FTPSTHCYAVVFSM-UHFFFAOYSA-N 1 2 376.298 4.193 20 0 GIADLO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180378585 822672413 /nfs/dbraw/zinc/67/24/13/822672413.db2.gz JWKLCWKLKJTWRB-HNNXBMFYSA-N 1 2 396.413 4.387 20 0 GIADLO Cc1c(-c2cc(C[N@H+](Cc3cccc(C)c3)Cc3ccccn3)on2)cnn1C ZINC000184664297 822672551 /nfs/dbraw/zinc/67/25/51/822672551.db2.gz FEVAYMLPHNSPQW-UHFFFAOYSA-N 1 2 387.487 4.289 20 0 GIADLO Cc1c(-c2cc(C[N@@H+](Cc3cccc(C)c3)Cc3ccccn3)on2)cnn1C ZINC000184664297 822672554 /nfs/dbraw/zinc/67/25/54/822672554.db2.gz FEVAYMLPHNSPQW-UHFFFAOYSA-N 1 2 387.487 4.289 20 0 GIADLO Cc1cc(C)c(NC(=O)NCCCOc2ccc(C(F)(F)F)cn2)c(C)[nH+]1 ZINC000455543123 822672730 /nfs/dbraw/zinc/67/27/30/822672730.db2.gz ZZIJSQSULMEDSB-UHFFFAOYSA-N 1 2 382.386 4.011 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)c[nH+]1 ZINC000455577027 822677476 /nfs/dbraw/zinc/67/74/76/822677476.db2.gz SXYLTMYZORHMBX-MRXNPFEDSA-N 1 2 388.309 4.160 20 0 GIADLO Cc1ccccc1-n1c(SCCCn2cc[nH+]c2)nnc1-c1cccnc1 ZINC000180428743 822680073 /nfs/dbraw/zinc/68/00/73/822680073.db2.gz OOSDKLCRRJWKCY-UHFFFAOYSA-N 1 2 376.489 4.017 20 0 GIADLO COc1ccc(-c2nnc(SCCCn3cc[nH+]c3)n2-c2ccccc2)cc1 ZINC000180428848 822680092 /nfs/dbraw/zinc/68/00/92/822680092.db2.gz KMOGOLBPNXTULC-UHFFFAOYSA-N 1 2 391.500 4.322 20 0 GIADLO COC[C@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(C)o1 ZINC000184718056 822681362 /nfs/dbraw/zinc/68/13/62/822681362.db2.gz RIOPUGAICFHBAE-IBGZPJMESA-N 1 2 380.444 4.296 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(C)o1 ZINC000184718033 822681382 /nfs/dbraw/zinc/68/13/82/822681382.db2.gz RIOPUGAICFHBAE-LJQANCHMSA-N 1 2 380.444 4.296 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cs1 ZINC000184731292 822683382 /nfs/dbraw/zinc/68/33/82/822683382.db2.gz LYEJOEGLLONUKX-AWEZNQCLSA-N 1 2 395.532 4.058 20 0 GIADLO CC(C)Oc1cccc([C@H](C)NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000048965817 822689743 /nfs/dbraw/zinc/68/97/43/822689743.db2.gz KEMYPSCRESJRFQ-SFHVURJKSA-N 1 2 392.503 4.279 20 0 GIADLO CSc1ccc([C@H](C)NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000048966580 822689982 /nfs/dbraw/zinc/68/99/82/822689982.db2.gz LEWAUVWSZJUKMF-INIZCTEOSA-N 1 2 380.517 4.214 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180510340 822693983 /nfs/dbraw/zinc/69/39/83/822693983.db2.gz SQZNJZSVAWXIPZ-UVBJJODRSA-N 1 2 396.919 4.131 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180510340 822693985 /nfs/dbraw/zinc/69/39/85/822693985.db2.gz SQZNJZSVAWXIPZ-UVBJJODRSA-N 1 2 396.919 4.131 20 0 GIADLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000455664271 822694930 /nfs/dbraw/zinc/69/49/30/822694930.db2.gz UMMXBQIUVHDXSB-UTKZUKDTSA-N 1 2 394.906 4.132 20 0 GIADLO Oc1cc2ccccc2cc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000184854870 822701060 /nfs/dbraw/zinc/70/10/60/822701060.db2.gz KDXRRQZNDCPXBD-UHFFFAOYSA-N 1 2 387.439 4.095 20 0 GIADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184855702 822701232 /nfs/dbraw/zinc/70/12/32/822701232.db2.gz ZQHRHKFSBYWWLB-JKSUJKDBSA-N 1 2 381.451 4.351 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000180558380 822702251 /nfs/dbraw/zinc/70/22/51/822702251.db2.gz LVOICNXACMLJFC-UHFFFAOYSA-N 1 2 387.293 4.077 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1CCCc2ccccc21 ZINC000184861998 822702381 /nfs/dbraw/zinc/70/23/81/822702381.db2.gz OBFMEEDMOCTWNO-DLBZAZTESA-N 1 2 375.472 4.360 20 0 GIADLO C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cc(Br)cc(F)c1O ZINC000184864694 822702949 /nfs/dbraw/zinc/70/29/49/822702949.db2.gz ZHUWTRVCEFPVOK-HZMBPMFUSA-N 1 2 387.318 4.309 20 0 GIADLO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)C2CC2)o1 ZINC000184865084 822703032 /nfs/dbraw/zinc/70/30/32/822703032.db2.gz RPLSKCDVPFEAPS-MRXNPFEDSA-N 1 2 379.460 4.085 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N(C)Cc1cccc(F)c1 ZINC000184869066 822704110 /nfs/dbraw/zinc/70/41/10/822704110.db2.gz AYKDXTLQLPIQRZ-JKSUJKDBSA-N 1 2 381.451 4.178 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1ccc(OC)cc1 ZINC000184869822 822704273 /nfs/dbraw/zinc/70/42/73/822704273.db2.gz PNCOKXAFISMBCP-HNAYVOBHSA-N 1 2 379.460 4.418 20 0 GIADLO CCCC[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1cc(C)on1 ZINC000184874080 822705121 /nfs/dbraw/zinc/70/51/21/822705121.db2.gz OOKKMAGAXDIWIB-DOTOQJQBSA-N 1 2 382.464 4.486 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1CCc2sccc2C1 ZINC000184879810 822706208 /nfs/dbraw/zinc/70/62/08/822706208.db2.gz IMUMUZRNEMARBI-LSDHHAIUSA-N 1 2 381.501 4.027 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C1(c2cccc(Cl)c2)CCCC1 ZINC000049766513 822708230 /nfs/dbraw/zinc/70/82/30/822708230.db2.gz WVWMSECSDIXBLX-UHFFFAOYSA-N 1 2 383.923 4.332 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1CCc1ccccc1 ZINC000049766800 822708274 /nfs/dbraw/zinc/70/82/74/822708274.db2.gz BGVJMCIJNLZFBM-UHFFFAOYSA-N 1 2 385.511 4.266 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000184893880 822708656 /nfs/dbraw/zinc/70/86/56/822708656.db2.gz ABVQCJXTGPEJJN-TXPKVOOTSA-N 1 2 391.471 4.021 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000184893898 822708897 /nfs/dbraw/zinc/70/88/97/822708897.db2.gz ABVQCJXTGPEJJN-FRQCXROJSA-N 1 2 391.471 4.021 20 0 GIADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184899784 822709879 /nfs/dbraw/zinc/70/98/79/822709879.db2.gz XJIRFUKXCJBNHG-MSOLQXFVSA-N 1 2 377.488 4.348 20 0 GIADLO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180612956 822712555 /nfs/dbraw/zinc/71/25/55/822712555.db2.gz KSIDCVUUVKLHPC-OAQYLSRUSA-N 1 2 388.471 4.182 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2OCCF)CC1 ZINC000455719964 822712994 /nfs/dbraw/zinc/71/29/94/822712994.db2.gz FQLPVCDVFPTCTF-OAHLLOKOSA-N 1 2 377.485 4.007 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2Cl)s1 ZINC000184987518 822722372 /nfs/dbraw/zinc/72/23/72/822722372.db2.gz AXGVVJCJJALSSQ-SECBINFHSA-N 1 2 388.718 4.157 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)s1 ZINC000185029292 822727153 /nfs/dbraw/zinc/72/71/53/822727153.db2.gz KWSPCCGVIIFHPZ-SECBINFHSA-N 1 2 377.819 4.413 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CCCCc2nc3ccccc3s2)c1C ZINC000050448988 822729633 /nfs/dbraw/zinc/72/96/33/822729633.db2.gz LXMGJARUFPHWCB-UHFFFAOYSA-N 1 2 383.517 4.346 20 0 GIADLO CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000050862996 822740548 /nfs/dbraw/zinc/74/05/48/822740548.db2.gz UVMSRUSJKWGOPT-GOTSBHOMSA-N 1 2 389.499 4.171 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccn2Cc2cccs2)CC1 ZINC000185131946 822741002 /nfs/dbraw/zinc/74/10/02/822741002.db2.gz JGDCKTHYOAYTOT-MRXNPFEDSA-N 1 2 385.558 4.178 20 0 GIADLO COCC[N@H+](Cn1nc(-c2cccs2)n(C2CC2)c1=S)C1CCCC1 ZINC000050899087 822742506 /nfs/dbraw/zinc/74/25/06/822742506.db2.gz QPQKIQZUIMAIQP-UHFFFAOYSA-N 1 2 378.567 4.326 20 0 GIADLO COCC[N@@H+](Cn1nc(-c2cccs2)n(C2CC2)c1=S)C1CCCC1 ZINC000050899087 822742507 /nfs/dbraw/zinc/74/25/07/822742507.db2.gz QPQKIQZUIMAIQP-UHFFFAOYSA-N 1 2 378.567 4.326 20 0 GIADLO Cc1nc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(-c2ccccc2)o1 ZINC000185152312 822743512 /nfs/dbraw/zinc/74/35/12/822743512.db2.gz VVIAAGQPCRHVEN-UHFFFAOYSA-N 1 2 382.489 4.345 20 0 GIADLO O=c1ccn(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c2c(Br)cccc12 ZINC000185158408 822744172 /nfs/dbraw/zinc/74/41/72/822744172.db2.gz HHRHUXOEBUMXDA-UHFFFAOYSA-N 1 2 395.300 4.269 20 0 GIADLO O=c1ccn(C[N@H+]2Cc3ccccc3C3(CC3)C2)c2c(Br)cccc12 ZINC000185158408 822744174 /nfs/dbraw/zinc/74/41/74/822744174.db2.gz HHRHUXOEBUMXDA-UHFFFAOYSA-N 1 2 395.300 4.269 20 0 GIADLO CC(C)c1cccc(O[C@H](C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000051035621 822744567 /nfs/dbraw/zinc/74/45/67/822744567.db2.gz VJJRENJYRNYLNM-LJQANCHMSA-N 1 2 391.515 4.181 20 0 GIADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000455935984 822752930 /nfs/dbraw/zinc/75/29/30/822752930.db2.gz CAKGVURHKBJDJI-CTNYNGJSSA-N 1 2 378.303 4.403 20 0 GIADLO COc1ccc(S[C@H](C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000051283732 822754193 /nfs/dbraw/zinc/75/41/93/822754193.db2.gz AQRDSFWIQVQORD-CQSZACIVSA-N 1 2 391.562 4.257 20 0 GIADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1c(Cl)ccc2cccnc21 ZINC000051423482 822759486 /nfs/dbraw/zinc/75/94/86/822759486.db2.gz GJTADCTVCRRQRC-UHFFFAOYSA-N 1 2 383.879 4.357 20 0 GIADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1c(Cl)ccc2cccnc21 ZINC000051423482 822759489 /nfs/dbraw/zinc/75/94/89/822759489.db2.gz GJTADCTVCRRQRC-UHFFFAOYSA-N 1 2 383.879 4.357 20 0 GIADLO CSc1ccccc1NC(=O)C[N@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051472990 822761461 /nfs/dbraw/zinc/76/14/61/822761461.db2.gz NCJNGYOSMNWBSG-INIZCTEOSA-N 1 2 398.450 4.031 20 0 GIADLO CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051472990 822761466 /nfs/dbraw/zinc/76/14/66/822761466.db2.gz NCJNGYOSMNWBSG-INIZCTEOSA-N 1 2 398.450 4.031 20 0 GIADLO C[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H](c2ccco2)C1 ZINC000174335124 822773274 /nfs/dbraw/zinc/77/32/74/822773274.db2.gz KVXBDPVXKIZUKP-KXBFYZLASA-N 1 2 382.439 4.287 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1F ZINC000051792664 822778437 /nfs/dbraw/zinc/77/84/37/822778437.db2.gz JUHQILSJLVOTHJ-OAHLLOKOSA-N 1 2 384.451 4.232 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1F ZINC000051792664 822778441 /nfs/dbraw/zinc/77/84/41/822778441.db2.gz JUHQILSJLVOTHJ-OAHLLOKOSA-N 1 2 384.451 4.232 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185427354 822782437 /nfs/dbraw/zinc/78/24/37/822782437.db2.gz JWILJHKQDRKKHO-QFIPXVFZSA-N 1 2 394.494 4.002 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185427372 822782439 /nfs/dbraw/zinc/78/24/39/822782439.db2.gz JWILJHKQDRKKHO-JOCHJYFZSA-N 1 2 394.494 4.002 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000174396828 822783995 /nfs/dbraw/zinc/78/39/95/822783995.db2.gz JXWYWTVMMHCKHQ-QGZVFWFLSA-N 1 2 384.524 4.301 20 0 GIADLO COc1ccc(CSc2nnc(SCCCn3cc[nH+]c3)s2)cc1 ZINC000185445965 822784936 /nfs/dbraw/zinc/78/49/36/822784936.db2.gz HQTQAQSXKKMXSL-UHFFFAOYSA-N 1 2 378.548 4.218 20 0 GIADLO CCCCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CCCC[C@H]1OC ZINC000456182248 822786958 /nfs/dbraw/zinc/78/69/58/822786958.db2.gz CTUCBJDUOXUVEL-FGZHOGPDSA-N 1 2 383.536 4.060 20 0 GIADLO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000052283226 822795625 /nfs/dbraw/zinc/79/56/25/822795625.db2.gz VWBTZEPVFKAONH-JTQLQIEISA-N 1 2 382.411 4.275 20 0 GIADLO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000052283226 822795628 /nfs/dbraw/zinc/79/56/28/822795628.db2.gz VWBTZEPVFKAONH-JTQLQIEISA-N 1 2 382.411 4.275 20 0 GIADLO CN(Cc1ccoc1)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000052525192 822802720 /nfs/dbraw/zinc/80/27/20/822802720.db2.gz KWIBBIFBLGMJQE-QGZVFWFLSA-N 1 2 379.863 4.051 20 0 GIADLO Cc1ccc(-c2nnc(SCCCn3cc[nH+]c3)n2Cc2ccco2)cc1 ZINC000185619833 822803072 /nfs/dbraw/zinc/80/30/72/822803072.db2.gz NKQUGHSGGFROMR-UHFFFAOYSA-N 1 2 379.489 4.274 20 0 GIADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000052560280 822803754 /nfs/dbraw/zinc/80/37/54/822803754.db2.gz DUUWYRIXJNCRNX-IBGZPJMESA-N 1 2 391.515 4.447 20 0 GIADLO COC(=O)c1ccc(C[NH2+][C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)o1 ZINC000185628324 822803954 /nfs/dbraw/zinc/80/39/54/822803954.db2.gz BXQAMAVNNADPKL-OAHLLOKOSA-N 1 2 386.448 4.496 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)Nc1ccc(Br)cc1F ZINC000052803135 822810953 /nfs/dbraw/zinc/81/09/53/822810953.db2.gz SLUACKKBOQUECS-HNNXBMFYSA-N 1 2 383.286 4.425 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)Nc1ccc(Br)cc1F ZINC000052803135 822810955 /nfs/dbraw/zinc/81/09/55/822810955.db2.gz SLUACKKBOQUECS-HNNXBMFYSA-N 1 2 383.286 4.425 20 0 GIADLO Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(C)n1 ZINC000052821995 822812049 /nfs/dbraw/zinc/81/20/49/822812049.db2.gz QEQJBDJRHHLRDL-GOSISDBHSA-N 1 2 375.875 4.058 20 0 GIADLO CC[N@H+](CC(=O)N[C@H]1CCO[C@H](c2cccs2)C1)Cc1ccccc1Cl ZINC000456520506 822812777 /nfs/dbraw/zinc/81/27/77/822812777.db2.gz ZRHPWZWGHVELKH-WMZOPIPTSA-N 1 2 392.952 4.260 20 0 GIADLO CC[N@@H+](CC(=O)N[C@H]1CCO[C@H](c2cccs2)C1)Cc1ccccc1Cl ZINC000456520506 822812780 /nfs/dbraw/zinc/81/27/80/822812780.db2.gz ZRHPWZWGHVELKH-WMZOPIPTSA-N 1 2 392.952 4.260 20 0 GIADLO C[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccc(Cl)s1 ZINC000052892699 822814726 /nfs/dbraw/zinc/81/47/26/822814726.db2.gz JGHWVHWXLSRUSO-UHFFFAOYSA-N 1 2 380.819 4.017 20 0 GIADLO C[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccc(Cl)s1 ZINC000052892699 822814730 /nfs/dbraw/zinc/81/47/30/822814730.db2.gz JGHWVHWXLSRUSO-UHFFFAOYSA-N 1 2 380.819 4.017 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000052909352 822814988 /nfs/dbraw/zinc/81/49/88/822814988.db2.gz JWRSTCRYYKSFCW-UHFFFAOYSA-N 1 2 390.858 4.431 20 0 GIADLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccco2)c2ccc(Cl)cc2)c1 ZINC000174635418 822815595 /nfs/dbraw/zinc/81/55/95/822815595.db2.gz VWGTUPJDNJUNAD-LJQANCHMSA-N 1 2 375.877 4.216 20 0 GIADLO CC(C)c1ccsc1C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000053009659 822818590 /nfs/dbraw/zinc/81/85/90/822818590.db2.gz BRIVIHOEGDWSFF-UHFFFAOYSA-N 1 2 379.529 4.378 20 0 GIADLO CCOc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1OCC ZINC000174656338 822818911 /nfs/dbraw/zinc/81/89/11/822818911.db2.gz MKYPDOHYISHVIY-OAHLLOKOSA-N 1 2 397.475 4.393 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000174662924 822820372 /nfs/dbraw/zinc/82/03/72/822820372.db2.gz PPKVASYDGWNOAU-HYBUGGRVSA-N 1 2 387.483 4.195 20 0 GIADLO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)cc1OC ZINC000053125297 822822814 /nfs/dbraw/zinc/82/28/14/822822814.db2.gz CPRJSEPCYAYWGJ-HOTGVXAUSA-N 1 2 388.483 4.022 20 0 GIADLO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)cc1OC ZINC000053125297 822822818 /nfs/dbraw/zinc/82/28/18/822822818.db2.gz CPRJSEPCYAYWGJ-HOTGVXAUSA-N 1 2 388.483 4.022 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000456719467 822826766 /nfs/dbraw/zinc/82/67/66/822826766.db2.gz MCYKUHPKYJBPGN-UHFFFAOYSA-N 1 2 395.453 4.305 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000174738693 822830675 /nfs/dbraw/zinc/83/06/75/822830675.db2.gz ZHQCVWNUHAZEJP-QHCPKHFHSA-N 1 2 392.547 4.172 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000185923371 822834037 /nfs/dbraw/zinc/83/40/37/822834037.db2.gz ZWDAFWALGLQLEP-CYBMUJFWSA-N 1 2 375.460 4.136 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000174765171 822834272 /nfs/dbraw/zinc/83/42/72/822834272.db2.gz KEPUKWZVCSPTCC-SFHVURJKSA-N 1 2 389.883 4.395 20 0 GIADLO CC[C@H]([NH2+][C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000185928536 822834534 /nfs/dbraw/zinc/83/45/34/822834534.db2.gz LDDXNQBANKYONB-XQHKEYJVSA-N 1 2 377.476 4.096 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000185930412 822834711 /nfs/dbraw/zinc/83/47/11/822834711.db2.gz AEPJBAYCGBMCHF-LLVKDONJSA-N 1 2 379.354 4.120 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000185950314 822836405 /nfs/dbraw/zinc/83/64/05/822836405.db2.gz VBWJQMPQBSMLLA-AVGNSLFASA-N 1 2 377.476 4.240 20 0 GIADLO CC[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1nc(C(F)(F)F)cs1 ZINC000185956664 822837164 /nfs/dbraw/zinc/83/71/64/822837164.db2.gz DYMRWORPLZQVPP-AWEZNQCLSA-N 1 2 397.466 4.051 20 0 GIADLO CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000185963352 822838245 /nfs/dbraw/zinc/83/82/45/822838245.db2.gz HULLXQIACYGWHX-QNWHQSFQSA-N 1 2 377.476 4.286 20 0 GIADLO Cc1cc(C)c(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c[nH+]1 ZINC000456859006 822838717 /nfs/dbraw/zinc/83/87/17/822838717.db2.gz MPMPSJLKZGMBGC-LBPRGKRZSA-N 1 2 397.700 4.198 20 0 GIADLO Cc1cc(C)c(CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c[nH+]1 ZINC000456869934 822839183 /nfs/dbraw/zinc/83/91/83/822839183.db2.gz YZGRNJMAHOIKBX-UHFFFAOYSA-N 1 2 384.867 4.041 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C)C(=O)NCC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185973399 822839782 /nfs/dbraw/zinc/83/97/82/822839782.db2.gz KVSNZBOPPZJSIH-WCQYABFASA-N 1 2 377.476 4.288 20 0 GIADLO COc1cccc([C@H]2C[C@H](N(C)C(=O)Cn3c(C)[nH+]c4cc(F)c(F)cc43)C2)c1 ZINC000456916972 822841446 /nfs/dbraw/zinc/84/14/46/822841446.db2.gz BNNXCJAOIDMLBP-WKILWMFISA-N 1 2 399.441 4.036 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000174896169 822852002 /nfs/dbraw/zinc/85/20/02/822852002.db2.gz HJOPURYNYAFVFY-RTBURBONSA-N 1 2 399.485 4.228 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000174896184 822852086 /nfs/dbraw/zinc/85/20/86/822852086.db2.gz HJOPURYNYAFVFY-MOPGFXCFSA-N 1 2 399.485 4.228 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000174898572 822852401 /nfs/dbraw/zinc/85/24/01/822852401.db2.gz LACYQCUWRZSERU-SFHVURJKSA-N 1 2 383.511 4.479 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000174903913 822853366 /nfs/dbraw/zinc/85/33/66/822853366.db2.gz WIRAYOJYXCCMLI-UHFFFAOYSA-N 1 2 390.531 4.179 20 0 GIADLO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000174927588 822857139 /nfs/dbraw/zinc/85/71/39/822857139.db2.gz PCUQBVGNUHXMPZ-HNNXBMFYSA-N 1 2 392.425 4.320 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000054152642 822864554 /nfs/dbraw/zinc/86/45/54/822864554.db2.gz QNCQZXZEDNAXDO-UHFFFAOYSA-N 1 2 387.483 4.318 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000054152642 822864555 /nfs/dbraw/zinc/86/45/55/822864555.db2.gz QNCQZXZEDNAXDO-UHFFFAOYSA-N 1 2 387.483 4.318 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2c(F)cccc2Cl)cc1OC ZINC000175019175 822868447 /nfs/dbraw/zinc/86/84/47/822868447.db2.gz AWJXVRVFMNNNLY-VXGBXAGGSA-N 1 2 380.847 4.174 20 0 GIADLO CC1(C)C[NH+](CC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)C1 ZINC000569000259 822868883 /nfs/dbraw/zinc/86/88/83/822868883.db2.gz KSOLQDOYNGBJDR-CYBMUJFWSA-N 1 2 382.348 4.157 20 0 GIADLO CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cs1 ZINC000186276859 822869063 /nfs/dbraw/zinc/86/90/63/822869063.db2.gz WWZMPCMVHJINTO-YJBOKZPZSA-N 1 2 387.549 4.026 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3coc(-c4ccccc4)n3)n2)C1 ZINC000054277582 822872683 /nfs/dbraw/zinc/87/26/83/822872683.db2.gz XYLREAYFPKTADO-OAHLLOKOSA-N 1 2 396.516 4.211 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3coc(-c4ccccc4)n3)n2)C1 ZINC000054277582 822872684 /nfs/dbraw/zinc/87/26/84/822872684.db2.gz XYLREAYFPKTADO-OAHLLOKOSA-N 1 2 396.516 4.211 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054297717 822873726 /nfs/dbraw/zinc/87/37/26/822873726.db2.gz MROLQYLMSHXRAY-GOSISDBHSA-N 1 2 394.515 4.234 20 0 GIADLO CSc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000054298377 822874000 /nfs/dbraw/zinc/87/40/00/822874000.db2.gz LSOINDXBNZZGNA-UHFFFAOYSA-N 1 2 382.529 4.250 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000186311598 822874652 /nfs/dbraw/zinc/87/46/52/822874652.db2.gz LEUMQNYCKZPPMD-KRWDZBQOSA-N 1 2 389.908 4.191 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cnc3ccccc3c2)C[C@H](C)O1 ZINC000457467085 822878029 /nfs/dbraw/zinc/87/80/29/822878029.db2.gz UIFWTUDEQPKMMW-IRXDYDNUSA-N 1 2 375.472 4.096 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392396 822881417 /nfs/dbraw/zinc/88/14/17/822881417.db2.gz IPYFJJWMAFAPMD-MRXNPFEDSA-N 1 2 393.531 4.155 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392396 822881420 /nfs/dbraw/zinc/88/14/20/822881420.db2.gz IPYFJJWMAFAPMD-MRXNPFEDSA-N 1 2 393.531 4.155 20 0 GIADLO Cn1c(C[NH+]2CCC(OCC3CCCC3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000186367428 822882954 /nfs/dbraw/zinc/88/29/54/822882954.db2.gz OXUHQGZJRJFNLK-UHFFFAOYSA-N 1 2 388.943 4.307 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CN3C(=O)C[C@H]3c3ccccc3)CC2)c(C)c1 ZINC000054463443 822887457 /nfs/dbraw/zinc/88/74/57/822887457.db2.gz HDKKUKAAQYYJLW-QFIPXVFZSA-N 1 2 376.500 4.129 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCOCC23CCCCC3)o1 ZINC000569190374 822890581 /nfs/dbraw/zinc/89/05/81/822890581.db2.gz DVIRZBHKOBIZKJ-UHFFFAOYSA-N 1 2 394.475 4.235 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCOCC23CCCCC3)o1 ZINC000569190374 822890584 /nfs/dbraw/zinc/89/05/84/822890584.db2.gz DVIRZBHKOBIZKJ-UHFFFAOYSA-N 1 2 394.475 4.235 20 0 GIADLO CC[N@H+](CCc1ccccc1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000054545025 822894471 /nfs/dbraw/zinc/89/44/71/822894471.db2.gz BMXXLBQRNJRACH-UHFFFAOYSA-N 1 2 379.533 4.333 20 0 GIADLO CC[N@@H+](CCc1ccccc1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000054545025 822894474 /nfs/dbraw/zinc/89/44/74/822894474.db2.gz BMXXLBQRNJRACH-UHFFFAOYSA-N 1 2 379.533 4.333 20 0 GIADLO COc1c2ccccc2oc1C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000569293543 822902904 /nfs/dbraw/zinc/90/29/04/822902904.db2.gz IAAWFJKLCMWFHE-UHFFFAOYSA-N 1 2 386.249 4.141 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000186505906 822906167 /nfs/dbraw/zinc/90/61/67/822906167.db2.gz VNXYAHHHIIEXRG-GOSISDBHSA-N 1 2 394.462 4.355 20 0 GIADLO CNC(=O)c1ccc(C[N@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000186505906 822906171 /nfs/dbraw/zinc/90/61/71/822906171.db2.gz VNXYAHHHIIEXRG-GOSISDBHSA-N 1 2 394.462 4.355 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457691743 822907516 /nfs/dbraw/zinc/90/75/16/822907516.db2.gz ALQOPXKLHQACKI-MJGOQNOKSA-N 1 2 375.875 4.250 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457691743 822907518 /nfs/dbraw/zinc/90/75/18/822907518.db2.gz ALQOPXKLHQACKI-MJGOQNOKSA-N 1 2 375.875 4.250 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457698380 822908300 /nfs/dbraw/zinc/90/83/00/822908300.db2.gz FRYZRPWQFTYLQA-XQAQDONZSA-N 1 2 376.850 4.412 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457698380 822908304 /nfs/dbraw/zinc/90/83/04/822908304.db2.gz FRYZRPWQFTYLQA-XQAQDONZSA-N 1 2 376.850 4.412 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Br)s1 ZINC000175247536 822913429 /nfs/dbraw/zinc/91/34/29/822913429.db2.gz PIQGBVUZDHAXEQ-NWDGAFQWSA-N 1 2 382.327 4.200 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Br)c(C)c2)s1 ZINC000175249496 822913989 /nfs/dbraw/zinc/91/39/89/822913989.db2.gz KQGPCYHTNIXMNW-VXGBXAGGSA-N 1 2 382.327 4.200 20 0 GIADLO Cc1ccc(-n2ncc(NC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)c2C(C)C)cc1 ZINC000569422448 822920787 /nfs/dbraw/zinc/92/07/87/822920787.db2.gz RDKPYDNLIYQTNA-QGZVFWFLSA-N 1 2 392.507 4.059 20 0 GIADLO O=C(Nc1cccc(CSC2CCCC2)c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000569430959 822922144 /nfs/dbraw/zinc/92/21/44/822922144.db2.gz WSYUVXCVUINWDH-UHFFFAOYSA-N 1 2 394.500 4.087 20 0 GIADLO CC(C)c1cccc(O[C@H](C(=O)NCCc2cn(C)c[nH+]2)c2ccccc2)c1 ZINC000457846929 822925030 /nfs/dbraw/zinc/92/50/30/822925030.db2.gz CJGWFSKACVBVEP-QFIPXVFZSA-N 1 2 377.488 4.023 20 0 GIADLO Cc1cccc(COc2ccc([C@@H](C)NC(=O)[C@@H]3CCc4c[nH+]cn4C3)cc2)c1 ZINC000569461394 822925772 /nfs/dbraw/zinc/92/57/72/822925772.db2.gz ZKKKTIGVEXSIES-WIYYLYMNSA-N 1 2 389.499 4.210 20 0 GIADLO O=C(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccc(SC(F)F)cc1 ZINC000186682376 822936511 /nfs/dbraw/zinc/93/65/11/822936511.db2.gz DJCOPJLCLHNBIZ-HXUWFJFHSA-N 1 2 390.455 4.071 20 0 GIADLO O=C(C[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccc(SC(F)F)cc1 ZINC000186682376 822936514 /nfs/dbraw/zinc/93/65/14/822936514.db2.gz DJCOPJLCLHNBIZ-HXUWFJFHSA-N 1 2 390.455 4.071 20 0 GIADLO Cc1c(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cnn1-c1ccc(Cl)cc1 ZINC000569537965 822936593 /nfs/dbraw/zinc/93/65/93/822936593.db2.gz YXFJKOIMKSCHOJ-CQSZACIVSA-N 1 2 397.910 4.424 20 0 GIADLO Cc1c(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cnn1-c1ccc(Cl)cc1 ZINC000569537965 822936595 /nfs/dbraw/zinc/93/65/95/822936595.db2.gz YXFJKOIMKSCHOJ-CQSZACIVSA-N 1 2 397.910 4.424 20 0 GIADLO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ncc(Br)s1)CCO2 ZINC000186691958 822938242 /nfs/dbraw/zinc/93/82/42/822938242.db2.gz ONBXWSQYRCLBPF-GXFFZTMASA-N 1 2 383.311 4.479 20 0 GIADLO C/C(=C\c1ccccc1OC(F)F)C[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000569546660 822938341 /nfs/dbraw/zinc/93/83/41/822938341.db2.gz DCPOEUPTMDEMNU-NTCAYCPXSA-N 1 2 395.471 4.227 20 0 GIADLO C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000569546660 822938343 /nfs/dbraw/zinc/93/83/43/822938343.db2.gz DCPOEUPTMDEMNU-NTCAYCPXSA-N 1 2 395.471 4.227 20 0 GIADLO CCc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000569625694 822946598 /nfs/dbraw/zinc/94/65/98/822946598.db2.gz OVQSFCJLODRWEZ-UHFFFAOYSA-N 1 2 386.455 4.079 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc(OCc2ccncc2)cc1 ZINC000569629260 822947350 /nfs/dbraw/zinc/94/73/50/822947350.db2.gz KZBIGWUDMGQOCM-UHFFFAOYSA-N 1 2 398.466 4.087 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2cccnc2N2CCCCC2)no1)c1cccc(Cl)c1 ZINC000569633547 822947797 /nfs/dbraw/zinc/94/77/97/822947797.db2.gz DKRRSOYWVQAIRQ-SFHVURJKSA-N 1 2 397.910 4.426 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc(C2CC2)ccn1 ZINC000569653767 822950709 /nfs/dbraw/zinc/95/07/09/822950709.db2.gz SQUUUMWGOAZNCE-UHFFFAOYSA-N 1 2 379.508 4.124 20 0 GIADLO CN(Cc1cc2ccccc2o1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000175382475 822953140 /nfs/dbraw/zinc/95/31/40/822953140.db2.gz OQIRFYMMWLQSPJ-UHFFFAOYSA-N 1 2 378.407 4.099 20 0 GIADLO Cc1nc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000569672471 822953550 /nfs/dbraw/zinc/95/35/50/822953550.db2.gz KTVNBTTUOWEMEB-XBHMSOGKSA-N 1 2 376.884 4.072 20 0 GIADLO Cc1nc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000569672471 822953551 /nfs/dbraw/zinc/95/35/51/822953551.db2.gz KTVNBTTUOWEMEB-XBHMSOGKSA-N 1 2 376.884 4.072 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)ccc1OC(F)F ZINC000186804631 822958309 /nfs/dbraw/zinc/95/83/09/822958309.db2.gz IWHABDAOOIJVAB-LBPRGKRZSA-N 1 2 384.423 4.451 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(Cl)cc2cccnc21 ZINC000055408651 822958351 /nfs/dbraw/zinc/95/83/51/822958351.db2.gz CLMLLPDOZARMKK-UHFFFAOYSA-N 1 2 376.847 4.063 20 0 GIADLO C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000175433202 822967536 /nfs/dbraw/zinc/96/75/36/822967536.db2.gz VEMHCYCIFDBDBR-HTAPYJJXSA-N 1 2 392.478 4.363 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000186861941 822970199 /nfs/dbraw/zinc/97/01/99/822970199.db2.gz MQKXQULKLYYFPV-GOSISDBHSA-N 1 2 391.515 4.061 20 0 GIADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000569874744 822979010 /nfs/dbraw/zinc/97/90/10/822979010.db2.gz AJNDJSBPVRISNS-WBVHZDCISA-N 1 2 399.362 4.028 20 0 GIADLO C[C@H]([NH2+]Cc1ccccc1OC(F)F)c1ncc(Br)cc1F ZINC000186957984 822986968 /nfs/dbraw/zinc/98/69/68/822986968.db2.gz GJFUTOYHHVSHOM-VIFPVBQESA-N 1 2 375.188 4.435 20 0 GIADLO C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ncc(Br)cc1F ZINC000186994279 822993929 /nfs/dbraw/zinc/99/39/29/822993929.db2.gz JSADARZXSGQQIB-CYBMUJFWSA-N 1 2 389.272 4.079 20 0 GIADLO Clc1cccc(-c2noc(CC[N@@H+]3CCSC[C@H]3c3nccs3)n2)c1 ZINC000187027951 823000412 /nfs/dbraw/zinc/00/04/12/823000412.db2.gz RPTLCVBOINODTG-AWEZNQCLSA-N 1 2 392.937 4.179 20 0 GIADLO Clc1cccc(-c2noc(CC[N@H+]3CCSC[C@H]3c3nccs3)n2)c1 ZINC000187027951 823000414 /nfs/dbraw/zinc/00/04/14/823000414.db2.gz RPTLCVBOINODTG-AWEZNQCLSA-N 1 2 392.937 4.179 20 0 GIADLO O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000055713997 823001975 /nfs/dbraw/zinc/00/19/75/823001975.db2.gz DRDGPUCSZJFVHE-UHFFFAOYSA-N 1 2 396.450 4.055 20 0 GIADLO C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cc1c[nH+]cn1C ZINC000570112761 823006936 /nfs/dbraw/zinc/00/69/36/823006936.db2.gz FOOANJRGUOPPNO-HNNXBMFYSA-N 1 2 387.936 4.338 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000187111622 823012020 /nfs/dbraw/zinc/01/20/20/823012020.db2.gz SLPHFNAVKPEVFL-UHFFFAOYSA-N 1 2 377.410 4.042 20 0 GIADLO O=C(CCc1ccc2ccccc2c1O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000570171370 823012131 /nfs/dbraw/zinc/01/21/31/823012131.db2.gz BMYRODWGGZMNOR-MXVIHJGJSA-N 1 2 389.499 4.413 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1 ZINC000175659583 823014701 /nfs/dbraw/zinc/01/47/01/823014701.db2.gz CGJFVQYDDWLBQB-QHCPKHFHSA-N 1 2 395.478 4.054 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000570241837 823018075 /nfs/dbraw/zinc/01/80/75/823018075.db2.gz HDZJXIAEVHLLFC-CQSZACIVSA-N 1 2 392.784 4.059 20 0 GIADLO Cc1ccc(C[S@](=O)CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)c(C)[nH+]1 ZINC000187221021 823026885 /nfs/dbraw/zinc/02/68/85/823026885.db2.gz RQAMCABRYGQDLA-CRYYWNKWSA-N 1 2 386.561 4.023 20 0 GIADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000570340417 823026973 /nfs/dbraw/zinc/02/69/73/823026973.db2.gz OOYUYHWBVAHKGM-IYARVYRRSA-N 1 2 378.451 4.369 20 0 GIADLO Cc1ccc(C[S@@](=O)[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c(C)[nH+]1 ZINC000187222332 823027083 /nfs/dbraw/zinc/02/70/83/823027083.db2.gz SGRWNYROVCWABH-IYJVBRSBSA-N 1 2 389.908 4.336 20 0 GIADLO Cc1ccc(C[S@](=O)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(C)[nH+]1 ZINC000187233406 823028445 /nfs/dbraw/zinc/02/84/45/823028445.db2.gz UXNNFMSJDLZAEY-YDBLSZJJSA-N 1 2 399.343 4.131 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000187306131 823040355 /nfs/dbraw/zinc/04/03/55/823040355.db2.gz CXPIQTFIWIYTAI-UHFFFAOYSA-N 1 2 388.316 4.085 20 0 GIADLO Cc1ccccc1-n1cc(C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)nn1 ZINC000570480488 823043857 /nfs/dbraw/zinc/04/38/57/823043857.db2.gz SCQGKTXKADDKME-INIZCTEOSA-N 1 2 380.467 4.354 20 0 GIADLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000123803809 823542094 /nfs/dbraw/zinc/54/20/94/823542094.db2.gz MOQYKJVQFUDKFE-IBGZPJMESA-N 1 2 376.508 4.040 20 0 GIADLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000123803809 823542098 /nfs/dbraw/zinc/54/20/98/823542098.db2.gz MOQYKJVQFUDKFE-IBGZPJMESA-N 1 2 376.508 4.040 20 0 GIADLO CC[C@@H](OC1CCCCC1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000123803307 823542189 /nfs/dbraw/zinc/54/21/89/823542189.db2.gz FOGJDLXZTBHZMT-KGVIQGDOSA-N 1 2 388.552 4.362 20 0 GIADLO CC[C@@H](OC1CCCCC1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000123803307 823542193 /nfs/dbraw/zinc/54/21/93/823542193.db2.gz FOGJDLXZTBHZMT-KGVIQGDOSA-N 1 2 388.552 4.362 20 0 GIADLO COc1cccc([C@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)c1 ZINC000177899120 823543567 /nfs/dbraw/zinc/54/35/67/823543567.db2.gz ZVCKHBHNQWQWJX-XMMPIXPASA-N 1 2 390.483 4.243 20 0 GIADLO COc1cccc([C@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)c1 ZINC000177899120 823543569 /nfs/dbraw/zinc/54/35/69/823543569.db2.gz ZVCKHBHNQWQWJX-XMMPIXPASA-N 1 2 390.483 4.243 20 0 GIADLO COc1ccc(Nc2ccccc2C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000123891311 823549514 /nfs/dbraw/zinc/54/95/14/823549514.db2.gz XOBITDFCQMRXLP-HTAPYJJXSA-N 1 2 390.487 4.359 20 0 GIADLO COc1ccc(Nc2ccccc2C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000123890798 823549555 /nfs/dbraw/zinc/54/95/55/823549555.db2.gz XOBITDFCQMRXLP-JTSKRJEESA-N 1 2 390.487 4.359 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(C)[nH+]1 ZINC000411125231 823550200 /nfs/dbraw/zinc/55/02/00/823550200.db2.gz IYZFLJDNVAIZGI-NSHDSACASA-N 1 2 380.275 4.130 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)N2CC3(CCC3)[C@H]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000460958790 823550792 /nfs/dbraw/zinc/55/07/92/823550792.db2.gz IPFDGWIGRSAVLV-GBESFXJTSA-N 1 2 391.918 4.198 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)N2CC3(CCC3)[C@H]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000460958790 823550797 /nfs/dbraw/zinc/55/07/97/823550797.db2.gz IPFDGWIGRSAVLV-GBESFXJTSA-N 1 2 391.918 4.198 20 0 GIADLO C[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccc(F)c(F)c1 ZINC000460959148 823550924 /nfs/dbraw/zinc/55/09/24/823550924.db2.gz CFGKRMJAWBACHJ-STQMWFEESA-N 1 2 379.476 4.395 20 0 GIADLO C[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccc(F)c(F)c1 ZINC000460959148 823550927 /nfs/dbraw/zinc/55/09/27/823550927.db2.gz CFGKRMJAWBACHJ-STQMWFEESA-N 1 2 379.476 4.395 20 0 GIADLO CCC(CC)[C@H](C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)[NH+]1CCOCC1 ZINC000460975514 823554204 /nfs/dbraw/zinc/55/42/04/823554204.db2.gz AGXWNIXJOUGXEL-HXUWFJFHSA-N 1 2 385.508 4.034 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000123968383 823556496 /nfs/dbraw/zinc/55/64/96/823556496.db2.gz VJURIZLTPAYYQE-LBPRGKRZSA-N 1 2 384.427 4.073 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c(C)[nH+]1 ZINC000411221482 823558329 /nfs/dbraw/zinc/55/83/29/823558329.db2.gz FGLSHHXRRXPNEE-IBGZPJMESA-N 1 2 385.895 4.256 20 0 GIADLO CCCCN(C(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[C@@H](CC)c1ccccc1 ZINC000411232207 823559300 /nfs/dbraw/zinc/55/93/00/823559300.db2.gz ADDBXGOSAJCPKU-IBGZPJMESA-N 1 2 378.476 4.053 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3c(Cl)nc4ccccn43)CC2)cc1 ZINC000124010675 823559816 /nfs/dbraw/zinc/55/98/16/823559816.db2.gz XZIARUWVWPINND-UHFFFAOYSA-N 1 2 383.879 4.091 20 0 GIADLO C[C@@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000190302297 823560709 /nfs/dbraw/zinc/56/07/09/823560709.db2.gz KEDNCLSILZPWHU-VBQJREDUSA-N 1 2 380.414 4.256 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)c(C)[nH+]1 ZINC000411278698 823561860 /nfs/dbraw/zinc/56/18/60/823561860.db2.gz ZKQVVXRQKWTUHS-UHFFFAOYSA-N 1 2 394.302 4.001 20 0 GIADLO O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[N@H+](Cc1cncs1)C2 ZINC000124047200 823562899 /nfs/dbraw/zinc/56/28/99/823562899.db2.gz RMTHNXQAEOCOHA-UHFFFAOYSA-N 1 2 382.464 4.485 20 0 GIADLO O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[N@@H+](Cc1cncs1)C2 ZINC000124047200 823562901 /nfs/dbraw/zinc/56/29/01/823562901.db2.gz RMTHNXQAEOCOHA-UHFFFAOYSA-N 1 2 382.464 4.485 20 0 GIADLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cn1nc(-c2ccoc2C)n(C)c1=S ZINC000190404894 823569892 /nfs/dbraw/zinc/56/98/92/823569892.db2.gz NXYNEKAFKNGURL-UHFFFAOYSA-N 1 2 381.505 4.480 20 0 GIADLO CC[N@H+](Cc1c[nH]c2ccccc12)Cn1nc(-c2ccoc2C)n(C)c1=S ZINC000190404894 823569895 /nfs/dbraw/zinc/56/98/95/823569895.db2.gz NXYNEKAFKNGURL-UHFFFAOYSA-N 1 2 381.505 4.480 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(COC3CCCC3)cc2)c(C)[nH+]1 ZINC000411404409 823570857 /nfs/dbraw/zinc/57/08/57/823570857.db2.gz ACRBGVSVXXPAMH-UHFFFAOYSA-N 1 2 381.476 4.043 20 0 GIADLO COC(=O)c1sccc1C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000190429474 823572647 /nfs/dbraw/zinc/57/26/47/823572647.db2.gz MACXRICYXREVGE-SNVBAGLBSA-N 1 2 384.295 4.157 20 0 GIADLO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000411515165 823583205 /nfs/dbraw/zinc/58/32/05/823583205.db2.gz HMXNHKOJBHPWDY-QWHCGFSZSA-N 1 2 387.402 4.147 20 0 GIADLO Fc1ccc(OC2CC[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)cn1 ZINC000190546199 823585046 /nfs/dbraw/zinc/58/50/46/823585046.db2.gz RVIIBJBNKKJMRM-UHFFFAOYSA-N 1 2 389.377 4.197 20 0 GIADLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)nc1C ZINC000411533370 823585498 /nfs/dbraw/zinc/58/54/98/823585498.db2.gz BJZKWZNSYMJIAE-LLVKDONJSA-N 1 2 388.411 4.378 20 0 GIADLO Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000190558008 823586271 /nfs/dbraw/zinc/58/62/71/823586271.db2.gz HZCMCQYXAUICEG-SUMWQHHRSA-N 1 2 380.414 4.003 20 0 GIADLO CC(C)([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1nc(C(F)(F)F)cs1 ZINC000411542914 823586853 /nfs/dbraw/zinc/58/68/53/823586853.db2.gz QOJVWLVOKRCQOS-OLZOCXBDSA-N 1 2 389.487 4.168 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CCCc2ccc(Br)s2)c1C ZINC000124337580 823588287 /nfs/dbraw/zinc/58/82/87/823588287.db2.gz GMAIYORWGDSTAZ-UHFFFAOYSA-N 1 2 397.338 4.170 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c(C)[nH+]1 ZINC000411593982 823589710 /nfs/dbraw/zinc/58/97/10/823589710.db2.gz OJGTXGKCFSLRQI-SJLPKXTDSA-N 1 2 385.895 4.051 20 0 GIADLO COc1ccccc1-c1csc(C2CC[NH+]([C@@H](C)c3nnc(C)[nH]3)CC2)n1 ZINC000411628634 823592372 /nfs/dbraw/zinc/59/23/72/823592372.db2.gz WPZVWCBKBSTETQ-ZDUSSCGKSA-N 1 2 383.521 4.186 20 0 GIADLO O[C@@H]([C@@H]1CCC[N@H+](Cc2cccc(Br)c2Cl)C1)C(F)(F)F ZINC000411634596 823592769 /nfs/dbraw/zinc/59/27/69/823592769.db2.gz LUFOYFUECOQDJK-MFKMUULPSA-N 1 2 386.639 4.238 20 0 GIADLO O[C@@H]([C@@H]1CCC[N@@H+](Cc2cccc(Br)c2Cl)C1)C(F)(F)F ZINC000411634596 823592771 /nfs/dbraw/zinc/59/27/71/823592771.db2.gz LUFOYFUECOQDJK-MFKMUULPSA-N 1 2 386.639 4.238 20 0 GIADLO COCC[N@H+](Cc1scnc1C)Cc1c2ccccc2sc1C(=O)OC ZINC000411656100 823594949 /nfs/dbraw/zinc/59/49/49/823594949.db2.gz PCXCFATVGPTISA-UHFFFAOYSA-N 1 2 390.530 4.101 20 0 GIADLO COCC[N@@H+](Cc1scnc1C)Cc1c2ccccc2sc1C(=O)OC ZINC000411656100 823594953 /nfs/dbraw/zinc/59/49/53/823594953.db2.gz PCXCFATVGPTISA-UHFFFAOYSA-N 1 2 390.530 4.101 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000061401456 823595601 /nfs/dbraw/zinc/59/56/01/823595601.db2.gz SQRSFUZYDITTCF-NSHDSACASA-N 1 2 395.315 4.061 20 0 GIADLO CCc1nnc(C2CC[NH+](Cc3nc(C)c(-c4ccc(Cl)cc4)o3)CC2)[nH]1 ZINC000190665535 823596487 /nfs/dbraw/zinc/59/64/87/823596487.db2.gz RMBKXZSYVGIITG-UHFFFAOYSA-N 1 2 385.899 4.364 20 0 GIADLO CCc1n[nH]c(C2CC[NH+](Cc3nc(C)c(-c4ccc(Cl)cc4)o3)CC2)n1 ZINC000190665535 823596492 /nfs/dbraw/zinc/59/64/92/823596492.db2.gz RMBKXZSYVGIITG-UHFFFAOYSA-N 1 2 385.899 4.364 20 0 GIADLO CCc1nc(C2CC[NH+](Cc3nc(C)c(-c4ccc(Cl)cc4)o3)CC2)n[nH]1 ZINC000190665535 823596496 /nfs/dbraw/zinc/59/64/96/823596496.db2.gz RMBKXZSYVGIITG-UHFFFAOYSA-N 1 2 385.899 4.364 20 0 GIADLO O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCn2c[nH+]cc2C1 ZINC000461197032 823596880 /nfs/dbraw/zinc/59/68/80/823596880.db2.gz RKWLPTMDGVUBGB-UHFFFAOYSA-N 1 2 383.904 4.485 20 0 GIADLO O=C(Nc1cc(F)c(F)cc1F)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000124466832 823599093 /nfs/dbraw/zinc/59/90/93/823599093.db2.gz BVDFIDYFPBJYJV-MOPGFXCFSA-N 1 2 386.377 4.351 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(OC(C)C)cc3)cc2)c1C ZINC000461214460 823599902 /nfs/dbraw/zinc/59/99/02/823599902.db2.gz XVXYIBLIDIVOMN-UHFFFAOYSA-N 1 2 385.489 4.077 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1nc(-c2cccnc2)no1 ZINC000124480741 823600411 /nfs/dbraw/zinc/60/04/11/823600411.db2.gz VBVKIJDXAOMOPO-UONOGXRCSA-N 1 2 382.439 4.471 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc3cc(Br)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000124492357 823601224 /nfs/dbraw/zinc/60/12/24/823601224.db2.gz MGAHLLZXUVGYRQ-SWLSCSKDSA-N 1 2 388.265 4.115 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000124516528 823602924 /nfs/dbraw/zinc/60/29/24/823602924.db2.gz GDHJWBYXWBZEAJ-KXBFYZLASA-N 1 2 396.878 4.447 20 0 GIADLO CCOC(=O)C(CC)(CC)[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411760023 823603165 /nfs/dbraw/zinc/60/31/65/823603165.db2.gz RCXCIOWWEDPTQY-UHFFFAOYSA-N 1 2 375.296 4.034 20 0 GIADLO C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000190762092 823605834 /nfs/dbraw/zinc/60/58/34/823605834.db2.gz JNBJHJYKPXXUIG-INIZCTEOSA-N 1 2 377.492 4.136 20 0 GIADLO CC(C)([NH2+]Cc1cccc(Br)c1Cl)c1nnc2n1CCCC2 ZINC000411805323 823606409 /nfs/dbraw/zinc/60/64/09/823606409.db2.gz ZLUNGECWNHOVAO-UHFFFAOYSA-N 1 2 383.721 4.055 20 0 GIADLO Cn1c[nH+]cc1CCC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000461260492 823607120 /nfs/dbraw/zinc/60/71/20/823607120.db2.gz VVVGBEJFWKQGDO-QGZVFWFLSA-N 1 2 381.442 4.145 20 0 GIADLO CCc1c(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cnn1CC(C)C ZINC000124600660 823610122 /nfs/dbraw/zinc/61/01/22/823610122.db2.gz BNICARPDIUJSFP-UHFFFAOYSA-N 1 2 396.495 4.021 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2csc(-c3ccc(OC)cc3OC)n2)cc1 ZINC000061760542 823612118 /nfs/dbraw/zinc/61/21/18/823612118.db2.gz QPDJCTKTCRKBHH-UHFFFAOYSA-N 1 2 384.501 4.468 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2csc(-c3ccc(OC)cc3OC)n2)cc1 ZINC000061760542 823612119 /nfs/dbraw/zinc/61/21/19/823612119.db2.gz QPDJCTKTCRKBHH-UHFFFAOYSA-N 1 2 384.501 4.468 20 0 GIADLO COc1cccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)cs2)c1OC ZINC000061804489 823615515 /nfs/dbraw/zinc/61/55/15/823615515.db2.gz ZRNJIDYBGVTROX-UHFFFAOYSA-N 1 2 395.528 4.150 20 0 GIADLO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000411946311 823615845 /nfs/dbraw/zinc/61/58/45/823615845.db2.gz OTNYNMPNIVRWNQ-UHFFFAOYSA-N 1 2 376.378 4.252 20 0 GIADLO CC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000411946311 823615847 /nfs/dbraw/zinc/61/58/47/823615847.db2.gz OTNYNMPNIVRWNQ-UHFFFAOYSA-N 1 2 376.378 4.252 20 0 GIADLO COc1cc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)ccc1F ZINC000124703690 823619118 /nfs/dbraw/zinc/61/91/18/823619118.db2.gz MFPDZTUINDEMCW-UHFFFAOYSA-N 1 2 397.475 4.101 20 0 GIADLO COc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)ccc1F ZINC000124703690 823619119 /nfs/dbraw/zinc/61/91/19/823619119.db2.gz MFPDZTUINDEMCW-UHFFFAOYSA-N 1 2 397.475 4.101 20 0 GIADLO Cc1csc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1Br ZINC000190897405 823621420 /nfs/dbraw/zinc/62/14/20/823621420.db2.gz NMFYCQYWXHNEMY-UHFFFAOYSA-N 1 2 380.242 4.396 20 0 GIADLO Fc1ccccc1-n1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)n1 ZINC000412016434 823623086 /nfs/dbraw/zinc/62/30/86/823623086.db2.gz VUMLMOXHALERDE-JOCHJYFZSA-N 1 2 377.463 4.365 20 0 GIADLO Fc1ccccc1-n1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)n1 ZINC000412016434 823623090 /nfs/dbraw/zinc/62/30/90/823623090.db2.gz VUMLMOXHALERDE-JOCHJYFZSA-N 1 2 377.463 4.365 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000190911479 823623271 /nfs/dbraw/zinc/62/32/71/823623271.db2.gz KKVJKFREZQSEPO-FUHWJXTLSA-N 1 2 375.900 4.010 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000190911479 823623274 /nfs/dbraw/zinc/62/32/74/823623274.db2.gz KKVJKFREZQSEPO-FUHWJXTLSA-N 1 2 375.900 4.010 20 0 GIADLO Fc1ccc(C2([NH2+]Cc3csc(-c4ccccn4)n3)CCOCC2)c(F)c1 ZINC000124769731 823624854 /nfs/dbraw/zinc/62/48/54/823624854.db2.gz RTXCFUNMOVMPHH-UHFFFAOYSA-N 1 2 387.455 4.279 20 0 GIADLO O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000461390487 823628181 /nfs/dbraw/zinc/62/81/81/823628181.db2.gz RKKPFTCQYDUUIK-UHFFFAOYSA-N 1 2 378.850 4.165 20 0 GIADLO COc1ccc2oc(C[NH2+][C@@H](c3nc(-c4ccncc4)no3)C(C)C)cc2c1 ZINC000124880086 823633642 /nfs/dbraw/zinc/63/36/42/823633642.db2.gz JRLXQBSXRBQQCK-LJQANCHMSA-N 1 2 378.432 4.373 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)Cc2cnccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000412233866 823638057 /nfs/dbraw/zinc/63/80/57/823638057.db2.gz OWGDRZRZMJYLDA-PKOBYXMFSA-N 1 2 396.293 4.022 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)Cc2cnccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000412233866 823638061 /nfs/dbraw/zinc/63/80/61/823638061.db2.gz OWGDRZRZMJYLDA-PKOBYXMFSA-N 1 2 396.293 4.022 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2cnccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000412233864 823638074 /nfs/dbraw/zinc/63/80/74/823638074.db2.gz OWGDRZRZMJYLDA-MJGOQNOKSA-N 1 2 396.293 4.022 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)Cc2cnccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000412233864 823638079 /nfs/dbraw/zinc/63/80/79/823638079.db2.gz OWGDRZRZMJYLDA-MJGOQNOKSA-N 1 2 396.293 4.022 20 0 GIADLO C[C@H]1CN(c2ccc([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)cc2)C[C@H](C)O1 ZINC000124941453 823638925 /nfs/dbraw/zinc/63/89/25/823638925.db2.gz DJXSJPPEBVUYPT-IRXDYDNUSA-N 1 2 389.540 4.112 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC(F)F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000412254072 823640136 /nfs/dbraw/zinc/64/01/36/823640136.db2.gz XUZMNGZFLHMEGY-CZUORRHYSA-N 1 2 378.385 4.037 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC(F)F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000412254072 823640139 /nfs/dbraw/zinc/64/01/39/823640139.db2.gz XUZMNGZFLHMEGY-CZUORRHYSA-N 1 2 378.385 4.037 20 0 GIADLO COc1cc(Cl)c(F)c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000412309432 823645214 /nfs/dbraw/zinc/64/52/14/823645214.db2.gz RYHFTPIIYOBTRV-UHFFFAOYSA-N 1 2 391.874 4.040 20 0 GIADLO C[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191101483 823649244 /nfs/dbraw/zinc/64/92/44/823649244.db2.gz WLWONQDUZUOGPB-AWEZNQCLSA-N 1 2 380.414 4.052 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2[C@H](C)CC(O)C[C@@H]2C)cs1)c1ccc(Cl)cc1 ZINC000191158668 823654743 /nfs/dbraw/zinc/65/47/43/823654743.db2.gz LRGWIWDBSWARFX-NCNPBXTDSA-N 1 2 393.940 4.215 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2[C@H](C)CC(O)C[C@@H]2C)cs1)c1ccc(Cl)cc1 ZINC000191158668 823654746 /nfs/dbraw/zinc/65/47/46/823654746.db2.gz LRGWIWDBSWARFX-NCNPBXTDSA-N 1 2 393.940 4.215 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)cs1)c1cccc(C)c1C ZINC000191186509 823657396 /nfs/dbraw/zinc/65/73/96/823657396.db2.gz FCLJACYZBKPLQV-GJZGRUSLSA-N 1 2 387.549 4.178 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2[C@H](C)CC(O)C[C@@H]2C)cs1)c1cccc(C)c1C ZINC000191186497 823657412 /nfs/dbraw/zinc/65/74/12/823657412.db2.gz FCLJACYZBKPLQV-RTHVDDQRSA-N 1 2 387.549 4.178 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2[C@H](C)CC(O)C[C@@H]2C)cs1)c1cccc(C)c1C ZINC000191186497 823657416 /nfs/dbraw/zinc/65/74/16/823657416.db2.gz FCLJACYZBKPLQV-RTHVDDQRSA-N 1 2 387.549 4.178 20 0 GIADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125236108 823661196 /nfs/dbraw/zinc/66/11/96/823661196.db2.gz IWDWZHOPSXBAEE-OAHLLOKOSA-N 1 2 384.430 4.112 20 0 GIADLO O=S(=O)(CCC[N@@H+](CCC(F)(F)F)Cc1ccccc1)c1ccccc1 ZINC000191238774 823662170 /nfs/dbraw/zinc/66/21/70/823662170.db2.gz MJVWMRVNLWNRMG-UHFFFAOYSA-N 1 2 385.451 4.305 20 0 GIADLO O=S(=O)(CCC[N@H+](CCC(F)(F)F)Cc1ccccc1)c1ccccc1 ZINC000191238774 823662172 /nfs/dbraw/zinc/66/21/72/823662172.db2.gz MJVWMRVNLWNRMG-UHFFFAOYSA-N 1 2 385.451 4.305 20 0 GIADLO O=C(C[N@@H+](CCC(F)(F)F)Cc1ccccc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000191242804 823662549 /nfs/dbraw/zinc/66/25/49/823662549.db2.gz KLUDMWGJPUQKPY-HNNXBMFYSA-N 1 2 396.375 4.242 20 0 GIADLO O=C(C[N@H+](CCC(F)(F)F)Cc1ccccc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000191242804 823662551 /nfs/dbraw/zinc/66/25/51/823662551.db2.gz KLUDMWGJPUQKPY-HNNXBMFYSA-N 1 2 396.375 4.242 20 0 GIADLO CC[C@H](C)OCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000125291847 823665381 /nfs/dbraw/zinc/66/53/81/823665381.db2.gz UEEFENNDSNVMHU-SFHVURJKSA-N 1 2 377.488 4.030 20 0 GIADLO Cc1ccc(-n2cccn2)cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000191272831 823666109 /nfs/dbraw/zinc/66/61/09/823666109.db2.gz ZIHZCVRNHFCHKO-KRWDZBQOSA-N 1 2 395.532 4.153 20 0 GIADLO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125308495 823666708 /nfs/dbraw/zinc/66/67/08/823666708.db2.gz RILQLPQBGVSJTF-UTKZUKDTSA-N 1 2 392.478 4.158 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000063400368 823667994 /nfs/dbraw/zinc/66/79/94/823667994.db2.gz CFQSFOCHFPIWKE-HXUWFJFHSA-N 1 2 382.895 4.210 20 0 GIADLO Cc1cc(C)cc(Oc2ccc(CNC(=O)NCCn3cc[nH+]c3)cc2C)c1 ZINC000063399203 823668006 /nfs/dbraw/zinc/66/80/06/823668006.db2.gz FVKSCFZBQBQSGI-UHFFFAOYSA-N 1 2 378.476 4.100 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cccnc2Sc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000125517499 823682203 /nfs/dbraw/zinc/68/22/03/823682203.db2.gz APOVRKREMUGEKP-APWZRJJASA-N 1 2 378.501 4.153 20 0 GIADLO COC[C@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(OC3CCCCC3)CC2)c1C ZINC000125541471 823683827 /nfs/dbraw/zinc/68/38/27/823683827.db2.gz AZKGIIWJHRAHAU-SFHVURJKSA-N 1 2 390.568 4.309 20 0 GIADLO CCO[C@@H](C)c1nc(C[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cs1 ZINC000125561461 823685486 /nfs/dbraw/zinc/68/54/86/823685486.db2.gz GSICBKUEBOYDBL-NSHDSACASA-N 1 2 388.459 4.362 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCSc2ccc(F)cc2)n1 ZINC000191449427 823686310 /nfs/dbraw/zinc/68/63/10/823686310.db2.gz DXTWUKJLWJZAGD-INIZCTEOSA-N 1 2 380.510 4.388 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCSc2ccc(F)cc2)n1 ZINC000191449427 823686313 /nfs/dbraw/zinc/68/63/13/823686313.db2.gz DXTWUKJLWJZAGD-INIZCTEOSA-N 1 2 380.510 4.388 20 0 GIADLO Cc1ccc([C@H](OC[C@H](O)C[N@@H+](C)Cc2cscn2)c2ccccc2)cc1 ZINC000063653178 823687255 /nfs/dbraw/zinc/68/72/55/823687255.db2.gz NOLCESGDOZLXOD-FGZHOGPDSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1ccc([C@H](OC[C@H](O)C[N@H+](C)Cc2cscn2)c2ccccc2)cc1 ZINC000063653178 823687258 /nfs/dbraw/zinc/68/72/58/823687258.db2.gz NOLCESGDOZLXOD-FGZHOGPDSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Oc1ccncc1 ZINC000125668428 823695190 /nfs/dbraw/zinc/69/51/90/823695190.db2.gz IRLQXRAWQAPPNO-OXJNMPFZSA-N 1 2 376.460 4.102 20 0 GIADLO C[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000461786290 823695195 /nfs/dbraw/zinc/69/51/95/823695195.db2.gz FAKMXRXOXKKTFU-OAHLLOKOSA-N 1 2 398.304 4.114 20 0 GIADLO C[C@@H](c1nnc(SC[C@H]2CCC(C)(C)O2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000412980448 823696560 /nfs/dbraw/zinc/69/65/60/823696560.db2.gz DYFUOUNOJJBCPN-XJKSGUPXSA-N 1 2 378.517 4.079 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3c[nH]nc3-c3ccccc3F)n2)c1 ZINC000191564547 823700303 /nfs/dbraw/zinc/70/03/03/823700303.db2.gz ZKQSVLNXFQTEFL-CYBMUJFWSA-N 1 2 393.422 4.125 20 0 GIADLO FC(F)c1nc2ccc(Cl)cc2c(NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000413054570 823702049 /nfs/dbraw/zinc/70/20/49/823702049.db2.gz NXXFAKAKHSQFAJ-UHFFFAOYSA-N 1 2 389.837 4.119 20 0 GIADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000574338302 823704876 /nfs/dbraw/zinc/70/48/76/823704876.db2.gz RXEALPKRJKEYOO-TVQRCGJNSA-N 1 2 379.304 4.027 20 0 GIADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000574338302 823704878 /nfs/dbraw/zinc/70/48/78/823704878.db2.gz RXEALPKRJKEYOO-TVQRCGJNSA-N 1 2 379.304 4.027 20 0 GIADLO CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2c2cc(C)ccc2C)nc1-c1cnccn1 ZINC000163439551 823709734 /nfs/dbraw/zinc/70/97/34/823709734.db2.gz WGWXBSNMNVXRRE-LJQANCHMSA-N 1 2 394.548 4.302 20 0 GIADLO CCn1c(=S)n(C[N@H+]2CCC[C@@H]2c2cc(C)ccc2C)nc1-c1cnccn1 ZINC000163439551 823709739 /nfs/dbraw/zinc/70/97/39/823709739.db2.gz WGWXBSNMNVXRRE-LJQANCHMSA-N 1 2 394.548 4.302 20 0 GIADLO CN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000413125960 823711282 /nfs/dbraw/zinc/71/12/82/823711282.db2.gz RPHQDKSAXIFCCA-FCHUYYIVSA-N 1 2 392.547 4.418 20 0 GIADLO Brc1ccc2c(cc[nH+]c2NCCCOCC2CCOCC2)c1 ZINC000413149715 823716103 /nfs/dbraw/zinc/71/61/03/823716103.db2.gz CBDWPSNVCILSLZ-UHFFFAOYSA-N 1 2 379.298 4.243 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3cccc(Cl)c3Cl)[nH+]cn2)C1 ZINC000413155852 823716982 /nfs/dbraw/zinc/71/69/82/823716982.db2.gz NCYDFDPSOVWJNM-RWMBFGLXSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3cccc(Cl)c3Cl)nc[nH+]2)C1 ZINC000413155852 823716991 /nfs/dbraw/zinc/71/69/91/823716991.db2.gz NCYDFDPSOVWJNM-RWMBFGLXSA-N 1 2 381.307 4.164 20 0 GIADLO COC(=O)[C@H](N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)c1ccsc1 ZINC000574416413 823723815 /nfs/dbraw/zinc/72/38/15/823723815.db2.gz OTYHKBNBZNONAN-QRVBRYPASA-N 1 2 394.487 4.054 20 0 GIADLO COC(=O)[C@H](N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)c1ccsc1 ZINC000574416413 823723821 /nfs/dbraw/zinc/72/38/21/823723821.db2.gz OTYHKBNBZNONAN-QRVBRYPASA-N 1 2 394.487 4.054 20 0 GIADLO CCOc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1ccc(N3CCCC3)cc1)CC2 ZINC000064013428 823733490 /nfs/dbraw/zinc/73/34/90/823733490.db2.gz PTMLPVVQWLCALO-SFHVURJKSA-N 1 2 393.531 4.071 20 0 GIADLO CCOc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1ccc(N3CCCC3)cc1)CC2 ZINC000064013428 823733498 /nfs/dbraw/zinc/73/34/98/823733498.db2.gz PTMLPVVQWLCALO-SFHVURJKSA-N 1 2 393.531 4.071 20 0 GIADLO O=c1c(C(F)(F)F)cc(C2CC2)nn1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000064027968 823736840 /nfs/dbraw/zinc/73/68/40/823736840.db2.gz VQDRYJAMNWQNNE-UHFFFAOYSA-N 1 2 391.437 4.399 20 0 GIADLO O=c1c(C(F)(F)F)cc(C2CC2)nn1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000064027968 823736849 /nfs/dbraw/zinc/73/68/49/823736849.db2.gz VQDRYJAMNWQNNE-UHFFFAOYSA-N 1 2 391.437 4.399 20 0 GIADLO OC[C@]1(c2ccccc2)CCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413294838 823747218 /nfs/dbraw/zinc/74/72/18/823747218.db2.gz DKWSNVPUVYNKJI-FQEVSTJZSA-N 1 2 383.289 4.138 20 0 GIADLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000125942358 823749685 /nfs/dbraw/zinc/74/96/85/823749685.db2.gz ZCBVLOPXXUMHKB-GOSISDBHSA-N 1 2 398.942 4.419 20 0 GIADLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000125942358 823749689 /nfs/dbraw/zinc/74/96/89/823749689.db2.gz ZCBVLOPXXUMHKB-GOSISDBHSA-N 1 2 398.942 4.419 20 0 GIADLO c1cn(-c2ccc(CSc3nnc([C@H]4COc5ccccc5O4)o3)cc2)c[nH+]1 ZINC000191733409 823751113 /nfs/dbraw/zinc/75/11/13/823751113.db2.gz LASFMHIKGLYZQJ-GOSISDBHSA-N 1 2 392.440 4.060 20 0 GIADLO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064140387 823753633 /nfs/dbraw/zinc/75/36/33/823753633.db2.gz LJPVBTRCZYMQEC-CQSZACIVSA-N 1 2 394.849 4.460 20 0 GIADLO COc1cc2cc[nH+]c(N3CCC4(CC3)OCCc3ccccc34)c2cc1F ZINC000413336081 823754888 /nfs/dbraw/zinc/75/48/88/823754888.db2.gz QCJMWJICQIVWOW-UHFFFAOYSA-N 1 2 378.447 4.451 20 0 GIADLO Cc1ccc(-c2nc(C[NH2+][C@H]3CCN(Cc4ccc(F)cc4)C3=O)cs2)cc1 ZINC000191763041 823760013 /nfs/dbraw/zinc/76/00/13/823760013.db2.gz PPFTUEYIJLXKAM-FQEVSTJZSA-N 1 2 395.503 4.148 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1C(C)C ZINC000125994241 823762632 /nfs/dbraw/zinc/76/26/32/823762632.db2.gz RAMINHKUXDBDJU-UHFFFAOYSA-N 1 2 399.560 4.450 20 0 GIADLO OC[C@@]1(c2ccccc2)CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000461933160 823763381 /nfs/dbraw/zinc/76/33/81/823763381.db2.gz OLODNVLUHYNRFM-HXUWFJFHSA-N 1 2 383.289 4.138 20 0 GIADLO Fc1ccc(SCc2noc(-c3ccccc3C[NH+]3CCOCC3)n2)cc1 ZINC000574554255 823764383 /nfs/dbraw/zinc/76/43/83/823764383.db2.gz ANJSNSIVWRVEQD-UHFFFAOYSA-N 1 2 385.464 4.000 20 0 GIADLO COc1cccc2c(N3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)cc[nH+]c12 ZINC000413396583 823767815 /nfs/dbraw/zinc/76/78/15/823767815.db2.gz IYFRJWMGAOUZAL-KRWDZBQOSA-N 1 2 380.410 4.429 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000191804987 823774445 /nfs/dbraw/zinc/77/44/45/823774445.db2.gz XGDROWLZLDOEKJ-UHFFFAOYSA-N 1 2 398.507 4.431 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N(Cc1ccccc1)CC1CCC1 ZINC000064244628 823779822 /nfs/dbraw/zinc/77/98/22/823779822.db2.gz CCQCLTPAWQOJKR-UHFFFAOYSA-N 1 2 388.515 4.443 20 0 GIADLO O=c1[nH]c(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)nc2sc3c(c21)CCC3 ZINC000064249575 823780185 /nfs/dbraw/zinc/78/01/85/823780185.db2.gz HDIBFWOWEFZLEP-AWEZNQCLSA-N 1 2 399.947 4.334 20 0 GIADLO O=c1[nH]c(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)nc2sc3c(c21)CCC3 ZINC000064249575 823780192 /nfs/dbraw/zinc/78/01/92/823780192.db2.gz HDIBFWOWEFZLEP-AWEZNQCLSA-N 1 2 399.947 4.334 20 0 GIADLO O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)[C@H]1CCn2c[nH+]cc2C1 ZINC000164150257 823782367 /nfs/dbraw/zinc/78/23/67/823782367.db2.gz DITCPYXGDBDLIH-AWEZNQCLSA-N 1 2 386.377 4.165 20 0 GIADLO COc1ccccc1[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)N1CCCCC1 ZINC000126091976 823785009 /nfs/dbraw/zinc/78/50/09/823785009.db2.gz KZPGRUYDURWZHF-FYYLOGMGSA-N 1 2 390.531 4.325 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c(OC)c1 ZINC000164355334 823797666 /nfs/dbraw/zinc/79/76/66/823797666.db2.gz BWCGGULQXIIYJJ-GOSISDBHSA-N 1 2 379.504 4.384 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000126141116 823798326 /nfs/dbraw/zinc/79/83/26/823798326.db2.gz VUWDAWFBMURMKQ-PMACEKPBSA-N 1 2 384.907 4.223 20 0 GIADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000164378306 823799451 /nfs/dbraw/zinc/79/94/51/823799451.db2.gz DGXOZFHEPNRLHN-MRXNPFEDSA-N 1 2 386.496 4.167 20 0 GIADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000164378306 823799454 /nfs/dbraw/zinc/79/94/54/823799454.db2.gz DGXOZFHEPNRLHN-MRXNPFEDSA-N 1 2 386.496 4.167 20 0 GIADLO COC[C@H](C)[C@@H](C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000462033037 823803989 /nfs/dbraw/zinc/80/39/89/823803989.db2.gz QOVFLXBXVHXBSS-RBUKOAKNSA-N 1 2 391.515 4.133 20 0 GIADLO CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126194097 823809920 /nfs/dbraw/zinc/80/99/20/823809920.db2.gz KDUKUPXTYBFEDA-SFHVURJKSA-N 1 2 396.531 4.358 20 0 GIADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(-c3ccccc3)ns2)CC1 ZINC000462046222 823810609 /nfs/dbraw/zinc/81/06/09/823810609.db2.gz ILOCAEUBHPCCRB-UHFFFAOYSA-N 1 2 377.513 4.077 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000164601751 823811849 /nfs/dbraw/zinc/81/18/49/823811849.db2.gz FNJOPCBAFKSXKP-SFTDATJTSA-N 1 2 379.504 4.076 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000126223678 823815700 /nfs/dbraw/zinc/81/57/00/823815700.db2.gz YZBQFZKKSBBDLA-IRXDYDNUSA-N 1 2 384.442 4.134 20 0 GIADLO Fc1ccc(-c2nc(C[NH+]3CCC4(CC3)OCCc3ccccc34)no2)c(F)c1 ZINC000574777002 823824239 /nfs/dbraw/zinc/82/42/39/823824239.db2.gz XHVYTIMKKVQGCE-UHFFFAOYSA-N 1 2 397.425 4.079 20 0 GIADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccn1Cc1cccs1 ZINC000574778123 823824278 /nfs/dbraw/zinc/82/42/78/823824278.db2.gz NYDFEBKWSJTOSD-QAQDUYKDSA-N 1 2 380.517 4.146 20 0 GIADLO CC[C@@H](CC1CCCCC1)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000413732845 823827407 /nfs/dbraw/zinc/82/74/07/823827407.db2.gz ZAQSIUGFISKICI-NRFANRHFSA-N 1 2 399.579 4.286 20 0 GIADLO COc1ccc(Cl)cc1C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064480724 823828059 /nfs/dbraw/zinc/82/80/59/823828059.db2.gz NQGBDIHMHZQZTE-UHFFFAOYSA-N 1 2 393.314 4.350 20 0 GIADLO COc1ccc(Cl)cc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064480724 823828065 /nfs/dbraw/zinc/82/80/65/823828065.db2.gz NQGBDIHMHZQZTE-UHFFFAOYSA-N 1 2 393.314 4.350 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1csc(-c2ccccc2)n1 ZINC000126316858 823838343 /nfs/dbraw/zinc/83/83/43/823838343.db2.gz KUWGGKWAHSKLMV-UHFFFAOYSA-N 1 2 393.512 4.203 20 0 GIADLO Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000064555329 823843207 /nfs/dbraw/zinc/84/32/07/823843207.db2.gz MIFHFGKPDBKZQT-FQEVSTJZSA-N 1 2 379.435 4.120 20 0 GIADLO Fc1cccc(-n2ccc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000064555329 823843214 /nfs/dbraw/zinc/84/32/14/823843214.db2.gz MIFHFGKPDBKZQT-FQEVSTJZSA-N 1 2 379.435 4.120 20 0 GIADLO Cc1cc(C)nc(SCC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1 ZINC000574870397 823848084 /nfs/dbraw/zinc/84/80/84/823848084.db2.gz ZJAUSJAVLDGNPH-UHFFFAOYSA-N 1 2 393.516 4.024 20 0 GIADLO OCC[N@H+](Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)Cc1ccccc1 ZINC000165434832 823848881 /nfs/dbraw/zinc/84/88/81/823848881.db2.gz BMDBJCBVNLGMCA-UHFFFAOYSA-N 1 2 376.378 4.355 20 0 GIADLO OCC[N@@H+](Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)Cc1ccccc1 ZINC000165434832 823848888 /nfs/dbraw/zinc/84/88/88/823848888.db2.gz BMDBJCBVNLGMCA-UHFFFAOYSA-N 1 2 376.378 4.355 20 0 GIADLO Fc1ccc(-c2nc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)no2)c(F)c1 ZINC000192069601 823850121 /nfs/dbraw/zinc/85/01/21/823850121.db2.gz OVCILZSDCLJWHA-SJLPKXTDSA-N 1 2 391.805 4.288 20 0 GIADLO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000126388262 823854456 /nfs/dbraw/zinc/85/44/56/823854456.db2.gz VCELNRXOCAJNEC-QFBILLFUSA-N 1 2 394.544 4.276 20 0 GIADLO Fc1cc([C@H]2OCC[C@H]2[NH2+]Cc2noc(-c3ccsc3)n2)ccc1Cl ZINC000192101806 823859958 /nfs/dbraw/zinc/85/99/58/823859958.db2.gz NZVKXJWWZNNVSR-GDBMZVCRSA-N 1 2 379.844 4.210 20 0 GIADLO Fc1cc([C@@H]2OCC[C@@H]2[NH2+]Cc2noc(-c3ccsc3)n2)ccc1Cl ZINC000192101824 823860590 /nfs/dbraw/zinc/86/05/90/823860590.db2.gz NZVKXJWWZNNVSR-HOCLYGCPSA-N 1 2 379.844 4.210 20 0 GIADLO CCS[C@H](C)c1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192110376 823863228 /nfs/dbraw/zinc/86/32/28/823863228.db2.gz QLYMFFQUFSTGQR-QSGSBWRWSA-N 1 2 385.892 4.296 20 0 GIADLO Cc1c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cccc1-c1ccccn1 ZINC000165787939 823863181 /nfs/dbraw/zinc/86/31/81/823863181.db2.gz GFOZPFHKLNIDNJ-UHFFFAOYSA-N 1 2 382.467 4.232 20 0 GIADLO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000462194501 823863722 /nfs/dbraw/zinc/86/37/22/823863722.db2.gz IHZMWVVSZBEVSH-SNRMKQJTSA-N 1 2 375.900 4.050 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000462201907 823867910 /nfs/dbraw/zinc/86/79/10/823867910.db2.gz UVAHCRXOJZXMDC-SNVBAGLBSA-N 1 2 380.395 4.147 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000126440686 823868275 /nfs/dbraw/zinc/86/82/75/823868275.db2.gz CJRNRHXGFJDSNS-IIBYNOLFSA-N 1 2 386.455 4.415 20 0 GIADLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccc(F)cc1F ZINC000462203304 823868831 /nfs/dbraw/zinc/86/88/31/823868831.db2.gz YQPGPDPVKAYCDI-KBPBESRZSA-N 1 2 379.476 4.176 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)c2cccc(F)c2F)CC1 ZINC000462207407 823871493 /nfs/dbraw/zinc/87/14/93/823871493.db2.gz GNPYZACWMAJZMQ-UONOGXRCSA-N 1 2 379.476 4.176 20 0 GIADLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccc(F)cc1F ZINC000462215910 823876604 /nfs/dbraw/zinc/87/66/04/823876604.db2.gz YQPGPDPVKAYCDI-ZIAGYGMSSA-N 1 2 379.476 4.176 20 0 GIADLO CCOCCC1(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CCCC1 ZINC000462218355 823877837 /nfs/dbraw/zinc/87/78/37/823877837.db2.gz MZKUDOQKUVPETP-GOSISDBHSA-N 1 2 393.597 4.123 20 0 GIADLO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCC[C@H]2CSC)cs1 ZINC000166715601 823881685 /nfs/dbraw/zinc/88/16/85/823881685.db2.gz LKWIZPUXWUAJFM-INIZCTEOSA-N 1 2 391.562 4.164 20 0 GIADLO COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCC[C@H]2CSC)cs1 ZINC000166715601 823881691 /nfs/dbraw/zinc/88/16/91/823881691.db2.gz LKWIZPUXWUAJFM-INIZCTEOSA-N 1 2 391.562 4.164 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cs1)c1ccc(C)cc1C ZINC000166733600 823881793 /nfs/dbraw/zinc/88/17/93/823881793.db2.gz OYCIIHLUATUUHR-WIYYLYMNSA-N 1 2 399.560 4.445 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cs1)c1ccc(C)cc1C ZINC000166733600 823881803 /nfs/dbraw/zinc/88/18/03/823881803.db2.gz OYCIIHLUATUUHR-WIYYLYMNSA-N 1 2 399.560 4.445 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cs1)c1ccc(C)cc1C ZINC000166733724 823882552 /nfs/dbraw/zinc/88/25/52/823882552.db2.gz OYCIIHLUATUUHR-NQIIRXRSSA-N 1 2 399.560 4.445 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cs1)c1ccc(C)cc1C ZINC000166733724 823882558 /nfs/dbraw/zinc/88/25/58/823882558.db2.gz OYCIIHLUATUUHR-NQIIRXRSSA-N 1 2 399.560 4.445 20 0 GIADLO CC(C)c1c(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cnn1-c1ccc(Cl)cc1 ZINC000192164558 823887987 /nfs/dbraw/zinc/88/79/87/823887987.db2.gz VHOQYDYXCKIUCM-CQSZACIVSA-N 1 2 383.883 4.047 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000462236508 823888914 /nfs/dbraw/zinc/88/89/14/823888914.db2.gz RCTKYKZFMZJAJQ-ZDUSSCGKSA-N 1 2 394.338 4.421 20 0 GIADLO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CCO2)c1 ZINC000167533902 823892976 /nfs/dbraw/zinc/89/29/76/823892976.db2.gz RCMMMFNZAXOZOX-QHCPKHFHSA-N 1 2 376.456 4.456 20 0 GIADLO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CCO2)c1 ZINC000167533902 823892986 /nfs/dbraw/zinc/89/29/86/823892986.db2.gz RCMMMFNZAXOZOX-QHCPKHFHSA-N 1 2 376.456 4.456 20 0 GIADLO CCn1c2cc(Br)ccc2[nH+]c1NCc1ccc([S@@](C)=O)cc1 ZINC000167833039 823896570 /nfs/dbraw/zinc/89/65/70/823896570.db2.gz LLVATGGQIVYMLN-QHCPKHFHSA-N 1 2 392.322 4.168 20 0 GIADLO CCn1c2cc(Br)ccc2[nH+]c1NCc1ccc(NC(C)=O)cc1 ZINC000167834927 823896586 /nfs/dbraw/zinc/89/65/86/823896586.db2.gz FPVZXMIQKQLBGQ-UHFFFAOYSA-N 1 2 387.281 4.389 20 0 GIADLO Cc1cc(OCC(=O)N(Cc2ccco2)CC(F)(F)F)c2ccccc2[nH+]1 ZINC000192193383 823897549 /nfs/dbraw/zinc/89/75/49/823897549.db2.gz XJLVLBXEYRTHFB-UHFFFAOYSA-N 1 2 378.350 4.106 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(COCc3ccccc3)c2)s1 ZINC000414059120 823898033 /nfs/dbraw/zinc/89/80/33/823898033.db2.gz IFSYSUPEXPQUFL-MRXNPFEDSA-N 1 2 396.512 4.497 20 0 GIADLO O=C(CCCc1cc(F)ccc1F)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000126559583 823899188 /nfs/dbraw/zinc/89/91/88/823899188.db2.gz WAHKYZKZCBONQN-UHFFFAOYSA-N 1 2 385.414 4.202 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(COCc3ccccc3)cc2)s1 ZINC000414075153 823902585 /nfs/dbraw/zinc/90/25/85/823902585.db2.gz XKEUGMUQGSUOIJ-MRXNPFEDSA-N 1 2 396.512 4.497 20 0 GIADLO COCC[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)c1cccc(C(F)(F)F)c1 ZINC000575071432 823904562 /nfs/dbraw/zinc/90/45/62/823904562.db2.gz XXJAYSNQYIISTC-QGZVFWFLSA-N 1 2 391.393 4.169 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3Br)s1 ZINC000414104773 823910611 /nfs/dbraw/zinc/91/06/11/823910611.db2.gz VTBLNDRTXXZJTA-TVQRCGJNSA-N 1 2 381.295 4.030 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000192247902 823916003 /nfs/dbraw/zinc/91/60/03/823916003.db2.gz VEXZZNRQPIMWTM-UHFFFAOYSA-N 1 2 399.926 4.145 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2ccc(Cl)s2)CC1 ZINC000462299410 823915993 /nfs/dbraw/zinc/91/59/93/823915993.db2.gz SXOSOGUQTHZTSE-CYBMUJFWSA-N 1 2 383.970 4.094 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000192255063 823917987 /nfs/dbraw/zinc/91/79/87/823917987.db2.gz AUHZSWLMGKBMNV-UHFFFAOYSA-N 1 2 393.453 4.435 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1sc(C)nc1-c1ccccc1 ZINC000192258335 823919525 /nfs/dbraw/zinc/91/95/25/823919525.db2.gz OLDQSRUWHLXQHA-UHFFFAOYSA-N 1 2 382.533 4.430 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000192257514 823919669 /nfs/dbraw/zinc/91/96/69/823919669.db2.gz QCJHMCRIMACVIV-UHFFFAOYSA-N 1 2 385.899 4.041 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)c(OC(F)F)c(C)c1 ZINC000192261030 823921086 /nfs/dbraw/zinc/92/10/86/823921086.db2.gz NUWZMLMHIFRXFK-UHFFFAOYSA-N 1 2 379.451 4.216 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1ccc(Br)cc1 ZINC000192261437 823921208 /nfs/dbraw/zinc/92/12/08/823921208.db2.gz RHSUYTMUWDAGGI-UHFFFAOYSA-N 1 2 392.341 4.079 20 0 GIADLO O=C(NC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1)c1ccsc1 ZINC000064992259 823922116 /nfs/dbraw/zinc/92/21/16/823922116.db2.gz YEKLYHXTLSREPA-UHFFFAOYSA-N 1 2 397.569 4.190 20 0 GIADLO O=C(C[N@@H+](CCCc1ccncc1)Cc1ccccc1F)Nc1ccccc1F ZINC000462329613 823926654 /nfs/dbraw/zinc/92/66/54/823926654.db2.gz XXVDEMZXBJNANK-UHFFFAOYSA-N 1 2 395.453 4.433 20 0 GIADLO O=C(C[N@H+](CCCc1ccncc1)Cc1ccccc1F)Nc1ccccc1F ZINC000462329613 823926662 /nfs/dbraw/zinc/92/66/62/823926662.db2.gz XXVDEMZXBJNANK-UHFFFAOYSA-N 1 2 395.453 4.433 20 0 GIADLO Cc1cccc(CCSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)n1 ZINC000575179582 823932389 /nfs/dbraw/zinc/93/23/89/823932389.db2.gz BZTLHIXQWDBELC-OAHLLOKOSA-N 1 2 385.512 4.067 20 0 GIADLO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000192287222 823934102 /nfs/dbraw/zinc/93/41/02/823934102.db2.gz BOEVVONVUCZKFV-UHFFFAOYSA-N 1 2 379.460 4.071 20 0 GIADLO FC(F)(F)c1ccnc(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)n1 ZINC000414237202 823936506 /nfs/dbraw/zinc/93/65/06/823936506.db2.gz JBPAYBNLCNTLTH-HNNXBMFYSA-N 1 2 386.215 4.499 20 0 GIADLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)c2C1 ZINC000462353428 823936979 /nfs/dbraw/zinc/93/69/79/823936979.db2.gz RFFMBIXYMSRKPI-LBPRGKRZSA-N 1 2 398.450 4.265 20 0 GIADLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)c2C1 ZINC000462353428 823936982 /nfs/dbraw/zinc/93/69/82/823936982.db2.gz RFFMBIXYMSRKPI-LBPRGKRZSA-N 1 2 398.450 4.265 20 0 GIADLO CCCc1ccc(Cl)c(S(=O)(=O)N(C)CCCc2[nH+]ccn2CCC)c1 ZINC000575205577 823938703 /nfs/dbraw/zinc/93/87/03/823938703.db2.gz XIFJMMVDOUACKP-UHFFFAOYSA-N 1 2 397.972 4.152 20 0 GIADLO O=C1c2ccccc2N[C@H](c2ccc(-n3cc[nH+]c3)cc2)N1Cc1cccnc1 ZINC000126751930 823941920 /nfs/dbraw/zinc/94/19/20/823941920.db2.gz RDJPYOHFTZUQIJ-QFIPXVFZSA-N 1 2 381.439 4.034 20 0 GIADLO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000126758668 823943614 /nfs/dbraw/zinc/94/36/14/823943614.db2.gz VJXDGJHQPNKLRR-UHFFFAOYSA-N 1 2 382.489 4.061 20 0 GIADLO Cc1cc([C@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)sc1Br ZINC000414258838 823943892 /nfs/dbraw/zinc/94/38/92/823943892.db2.gz PVZLXOBEHKXKSX-QMMMGPOBSA-N 1 2 380.233 4.479 20 0 GIADLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(SC(F)F)cc1)CC2 ZINC000065163660 823955776 /nfs/dbraw/zinc/95/57/76/823955776.db2.gz JVQNJUDTVBESFF-UHFFFAOYSA-N 1 2 378.444 4.007 20 0 GIADLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)CC2 ZINC000065163660 823955781 /nfs/dbraw/zinc/95/57/81/823955781.db2.gz JVQNJUDTVBESFF-UHFFFAOYSA-N 1 2 378.444 4.007 20 0 GIADLO Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1nnc(C2CC2)s1 ZINC000414333031 823960460 /nfs/dbraw/zinc/96/04/60/823960460.db2.gz VQVJWYWVRFZELR-ZDUSSCGKSA-N 1 2 380.311 4.182 20 0 GIADLO CC(C)Oc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c(Cl)c1 ZINC000575362894 823961971 /nfs/dbraw/zinc/96/19/71/823961971.db2.gz MFYQNPIYFHHSAA-CXAGYDPISA-N 1 2 377.872 4.103 20 0 GIADLO CC(C)Oc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c(Cl)c1 ZINC000575362894 823961977 /nfs/dbraw/zinc/96/19/77/823961977.db2.gz MFYQNPIYFHHSAA-CXAGYDPISA-N 1 2 377.872 4.103 20 0 GIADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cnc(Cc4ccccc4)s3)CC2)c1 ZINC000462406786 823962078 /nfs/dbraw/zinc/96/20/78/823962078.db2.gz KCAOLACGSFREAR-UHFFFAOYSA-N 1 2 391.540 4.000 20 0 GIADLO Brc1cncc(Br)c1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000414366638 823966332 /nfs/dbraw/zinc/96/63/32/823966332.db2.gz OJDCSVKLYVTVQA-HNNXBMFYSA-N 1 2 397.114 4.243 20 0 GIADLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cnc(CC)nc1 ZINC000414374447 823968127 /nfs/dbraw/zinc/96/81/27/823968127.db2.gz VTPXAJPGOCOCDO-UHFFFAOYSA-N 1 2 381.307 4.197 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cnc(CC)nc1 ZINC000414374447 823968133 /nfs/dbraw/zinc/96/81/33/823968133.db2.gz VTPXAJPGOCOCDO-UHFFFAOYSA-N 1 2 381.307 4.197 20 0 GIADLO C[C@@H]1C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000126875567 823971844 /nfs/dbraw/zinc/97/18/44/823971844.db2.gz RPOMIBDVQDBPNF-WZONZLPQSA-N 1 2 396.506 4.414 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000126875567 823971852 /nfs/dbraw/zinc/97/18/52/823971852.db2.gz RPOMIBDVQDBPNF-WZONZLPQSA-N 1 2 396.506 4.414 20 0 GIADLO COc1ccccc1[C@@H]1CCCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000170817005 823978731 /nfs/dbraw/zinc/97/87/31/823978731.db2.gz IZSREKURTABRKP-IBGZPJMESA-N 1 2 395.528 4.248 20 0 GIADLO C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000575727029 823982551 /nfs/dbraw/zinc/98/25/51/823982551.db2.gz VXVMTCSKEUTPTE-AWEZNQCLSA-N 1 2 384.480 4.344 20 0 GIADLO CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000170869657 823995123 /nfs/dbraw/zinc/99/51/23/823995123.db2.gz AUAJLWQJWBPEES-UHFFFAOYSA-N 1 2 390.487 4.387 20 0 GIADLO C[NH2+]Cc1noc(C23C[C@H]4C[C@@H](C2)CC(C(F)(F)[C@H](F)C(F)(F)F)(C4)C3)n1 ZINC000414495071 823995458 /nfs/dbraw/zinc/99/54/58/823995458.db2.gz AZOGHNPECCFKOA-UULPXSQISA-N 1 2 397.363 4.163 20 0 GIADLO CCOC(CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)OCC ZINC000127001585 823998435 /nfs/dbraw/zinc/99/84/35/823998435.db2.gz YKXAOBUQYLWQII-CYBMUJFWSA-N 1 2 398.960 4.035 20 0 GIADLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192461728 823999966 /nfs/dbraw/zinc/99/99/66/823999966.db2.gz OICACJSYKYQFOG-INIZCTEOSA-N 1 2 382.479 4.310 20 0 GIADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C(c1ccccc1)c1ccccc1 ZINC000170897502 824002206 /nfs/dbraw/zinc/00/22/06/824002206.db2.gz MXRSLJHVFMSZPH-LJQANCHMSA-N 1 2 388.515 4.450 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192475336 824005507 /nfs/dbraw/zinc/00/55/07/824005507.db2.gz KWDCJKVYSPGLSF-CYBMUJFWSA-N 1 2 390.405 4.026 20 0 GIADLO Cc1cc(C)c(NC(=O)c2cnn(-c3cccc(Br)c3)c2)c(C)[nH+]1 ZINC000170943247 824009947 /nfs/dbraw/zinc/00/99/47/824009947.db2.gz LMUBDQKMHVATGC-UHFFFAOYSA-N 1 2 385.265 4.207 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccnc1N1CCCC1 ZINC000192493890 824010264 /nfs/dbraw/zinc/01/02/64/824010264.db2.gz GSEYNLYFHUFLAQ-UHFFFAOYSA-N 1 2 387.487 4.134 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCCc1ccc2ccccc2c1 ZINC000192502066 824012669 /nfs/dbraw/zinc/01/26/69/824012669.db2.gz ARSPWRFYXBBJOV-UHFFFAOYSA-N 1 2 398.510 4.169 20 0 GIADLO COCc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192507204 824015010 /nfs/dbraw/zinc/01/50/10/824015010.db2.gz YFMNTNLXIGFGNA-MOPGFXCFSA-N 1 2 391.874 4.192 20 0 GIADLO COCc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192507204 824015019 /nfs/dbraw/zinc/01/50/19/824015019.db2.gz YFMNTNLXIGFGNA-MOPGFXCFSA-N 1 2 391.874 4.192 20 0 GIADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000170959976 824019514 /nfs/dbraw/zinc/01/95/14/824019514.db2.gz QUJHOQXWWHTSHO-UHFFFAOYSA-N 1 2 388.537 4.036 20 0 GIADLO O=C(Cc1nc(-c2ccc(F)cc2)cs1)Nc1ccccc1-n1cc[nH+]c1 ZINC000127112060 824020083 /nfs/dbraw/zinc/02/00/83/824020083.db2.gz DUWRSEDGRRWZPW-UHFFFAOYSA-N 1 2 378.432 4.316 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000192529978 824021053 /nfs/dbraw/zinc/02/10/53/824021053.db2.gz GGYZWZCVDDTFDH-MOPGFXCFSA-N 1 2 399.416 4.370 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc4ncccc4c3)c2C1 ZINC000192549380 824028759 /nfs/dbraw/zinc/02/87/59/824028759.db2.gz IEIVLSUROKMQNO-UHFFFAOYSA-N 1 2 382.467 4.413 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc4ncccc4c3)c2C1 ZINC000192549380 824028764 /nfs/dbraw/zinc/02/87/64/824028764.db2.gz IEIVLSUROKMQNO-UHFFFAOYSA-N 1 2 382.467 4.413 20 0 GIADLO COc1ccc2oc(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)c(C)c2c1 ZINC000007645094 204245048 /nfs/dbraw/zinc/24/50/48/204245048.db2.gz JUKFXLITWWWSEX-UHFFFAOYSA-N 1 2 385.489 4.445 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164660598 719344376 /nfs/dbraw/zinc/34/43/76/719344376.db2.gz IXYFUUYKDMHEDC-HBFSDRIKSA-N 1 2 378.944 4.409 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164660598 719344379 /nfs/dbraw/zinc/34/43/79/719344379.db2.gz IXYFUUYKDMHEDC-HBFSDRIKSA-N 1 2 378.944 4.409 20 0 GIADLO CCSCc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000055839869 823051636 /nfs/dbraw/zinc/05/16/36/823051636.db2.gz SZMDUVXXRNAYTO-UHFFFAOYSA-N 1 2 379.529 4.157 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)Nc1ccc(F)cc1Cl ZINC000175837995 823052049 /nfs/dbraw/zinc/05/20/49/823052049.db2.gz XSZLSCKTUOCKEW-CZUORRHYSA-N 1 2 382.888 4.067 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)Nc1ccc(F)cc1Cl ZINC000175837995 823052056 /nfs/dbraw/zinc/05/20/56/823052056.db2.gz XSZLSCKTUOCKEW-CZUORRHYSA-N 1 2 382.888 4.067 20 0 GIADLO C[C@H]1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2F)C[C@H]1n1cc[nH+]c1 ZINC000187419272 823059978 /nfs/dbraw/zinc/05/99/78/823059978.db2.gz CXHNCHXETWQVIW-WMLDXEAASA-N 1 2 392.906 4.246 20 0 GIADLO O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120769949 823060714 /nfs/dbraw/zinc/06/07/14/823060714.db2.gz ZZLZZKZORHLGSX-OAHLLOKOSA-N 1 2 391.452 4.245 20 0 GIADLO COc1cc(C[N@H+](C)Cc2nc3ccccc3s2)ccc1OC(=O)C1CC1 ZINC000120790743 823064827 /nfs/dbraw/zinc/06/48/27/823064827.db2.gz RNQLUJDRMCSKPM-UHFFFAOYSA-N 1 2 382.485 4.252 20 0 GIADLO COc1cc(C[N@@H+](C)Cc2nc3ccccc3s2)ccc1OC(=O)C1CC1 ZINC000120790743 823064830 /nfs/dbraw/zinc/06/48/30/823064830.db2.gz RNQLUJDRMCSKPM-UHFFFAOYSA-N 1 2 382.485 4.252 20 0 GIADLO COc1cc(-c2ccccc2)sc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120815106 823069776 /nfs/dbraw/zinc/06/97/76/823069776.db2.gz JTEXAYRHPGMROH-MRXNPFEDSA-N 1 2 395.528 4.252 20 0 GIADLO Cc1oc(-c2ccccc2)c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1C ZINC000187499586 823076008 /nfs/dbraw/zinc/07/60/08/823076008.db2.gz LTQPCCJAMJTEGT-UHFFFAOYSA-N 1 2 375.472 4.489 20 0 GIADLO Brc1ccc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)nc1 ZINC000175957660 823082302 /nfs/dbraw/zinc/08/23/02/823082302.db2.gz OBUCEZRZFCADDV-LJQANCHMSA-N 1 2 375.310 4.068 20 0 GIADLO Brc1ccc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)nc1 ZINC000175957660 823082307 /nfs/dbraw/zinc/08/23/07/823082307.db2.gz OBUCEZRZFCADDV-LJQANCHMSA-N 1 2 375.310 4.068 20 0 GIADLO CO[C@H](C)c1cccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000175964658 823083607 /nfs/dbraw/zinc/08/36/07/823083607.db2.gz XHUYQQNFODFTGI-QGZVFWFLSA-N 1 2 396.535 4.251 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Br ZINC000187538468 823084943 /nfs/dbraw/zinc/08/49/43/823084943.db2.gz ZAYWYCRBGLGCCE-PXAZEXFGSA-N 1 2 391.313 4.377 20 0 GIADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1nc3cc(C(F)(F)F)ccc3n1C)n2C ZINC000187583717 823092602 /nfs/dbraw/zinc/09/26/02/823092602.db2.gz RUVPZXCUFHLNKT-UHFFFAOYSA-N 1 2 387.409 4.077 20 0 GIADLO CC(=O)N(c1nc(C[NH2+][C@H]2CCc3cc(N)ccc32)cs1)c1ccc(C)cc1 ZINC000570867400 823098966 /nfs/dbraw/zinc/09/89/66/823098966.db2.gz SACHRRVFGWSGTE-NRFANRHFSA-N 1 2 392.528 4.495 20 0 GIADLO COc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c(OC)c1 ZINC000056202445 823102299 /nfs/dbraw/zinc/10/22/99/823102299.db2.gz OKEPSPLHKHGHHQ-QFIPXVFZSA-N 1 2 394.446 4.313 20 0 GIADLO C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1Cl ZINC000121031777 823105998 /nfs/dbraw/zinc/10/59/98/823105998.db2.gz XXNVOTCVKLAFOA-QWHCGFSZSA-N 1 2 379.291 4.028 20 0 GIADLO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1OC ZINC000121053044 823109740 /nfs/dbraw/zinc/10/97/40/823109740.db2.gz UGDZYJUKIKZWIS-CQSZACIVSA-N 1 2 391.537 4.224 20 0 GIADLO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1OC ZINC000121053044 823109744 /nfs/dbraw/zinc/10/97/44/823109744.db2.gz UGDZYJUKIKZWIS-CQSZACIVSA-N 1 2 391.537 4.224 20 0 GIADLO Fc1ccc([C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)c2ncc[nH]2)cc1 ZINC000187719380 823119788 /nfs/dbraw/zinc/11/97/88/823119788.db2.gz YNJPPHIZLFVNNO-KRWDZBQOSA-N 1 2 379.357 4.369 20 0 GIADLO COc1ccc(C[N@H+](Cc2ccccn2)C(C)C)c(Br)c1OC ZINC000056285203 823120888 /nfs/dbraw/zinc/12/08/88/823120888.db2.gz YJAZDJUJRMSGRM-UHFFFAOYSA-N 1 2 379.298 4.272 20 0 GIADLO COc1ccc(C[N@@H+](Cc2ccccn2)C(C)C)c(Br)c1OC ZINC000056285203 823120890 /nfs/dbraw/zinc/12/08/90/823120890.db2.gz YJAZDJUJRMSGRM-UHFFFAOYSA-N 1 2 379.298 4.272 20 0 GIADLO CC(C)(C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000121121430 823122163 /nfs/dbraw/zinc/12/21/63/823122163.db2.gz OPPPEWDZHOZQJE-KRWDZBQOSA-N 1 2 378.394 4.058 20 0 GIADLO CO[C@H](C)c1nc(C)c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)s1 ZINC000176125777 823129264 /nfs/dbraw/zinc/12/92/64/823129264.db2.gz KCXRCGJIVOCWPT-WCQYABFASA-N 1 2 394.566 4.100 20 0 GIADLO CO[C@H](C)c1nc(C)c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)s1 ZINC000176125777 823129266 /nfs/dbraw/zinc/12/92/66/823129266.db2.gz KCXRCGJIVOCWPT-WCQYABFASA-N 1 2 394.566 4.100 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000571084191 823129527 /nfs/dbraw/zinc/12/95/27/823129527.db2.gz JUIWRECLRKMXKV-OXJNMPFZSA-N 1 2 377.448 4.185 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000571084193 823129573 /nfs/dbraw/zinc/12/95/73/823129573.db2.gz JUIWRECLRKMXKV-OXQOHEQNSA-N 1 2 377.448 4.185 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000571099511 823132115 /nfs/dbraw/zinc/13/21/15/823132115.db2.gz YBTRYYBUHVPJQK-AWEZNQCLSA-N 1 2 378.929 4.153 20 0 GIADLO C[C@H](c1nnc(SCCc2cccs2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000121178452 823132975 /nfs/dbraw/zinc/13/29/75/823132975.db2.gz ASSOVSXFBYKHFG-CYBMUJFWSA-N 1 2 376.526 4.425 20 0 GIADLO Cc1cc2cc(NC(=O)NC3CC[NH+](c4ccc(N(C)C)cc4)CC3)ccc2[nH]1 ZINC000176140778 823133752 /nfs/dbraw/zinc/13/37/52/823133752.db2.gz MSLJHAFXSJPAGV-UHFFFAOYSA-N 1 2 391.519 4.333 20 0 GIADLO CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459145312 823134611 /nfs/dbraw/zinc/13/46/11/823134611.db2.gz HHAXIGIMBLBONE-LJQANCHMSA-N 1 2 376.932 4.435 20 0 GIADLO O=C(Nc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)s1)Nc1ccccc1 ZINC000176160619 823139627 /nfs/dbraw/zinc/13/96/27/823139627.db2.gz HAMDOGYNGIUJQR-UHFFFAOYSA-N 1 2 395.488 4.066 20 0 GIADLO CC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000121214659 823140052 /nfs/dbraw/zinc/14/00/52/823140052.db2.gz UEJQOQYEJJWGEY-IEBWSBKVSA-N 1 2 382.907 4.269 20 0 GIADLO CC(=O)CCCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000121214659 823140055 /nfs/dbraw/zinc/14/00/55/823140055.db2.gz UEJQOQYEJJWGEY-IEBWSBKVSA-N 1 2 382.907 4.269 20 0 GIADLO O=C(Nc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1)c1ccco1 ZINC000187860346 823148005 /nfs/dbraw/zinc/14/80/05/823148005.db2.gz ICJCEQCNENFTJD-FQEVSTJZSA-N 1 2 390.418 4.273 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187914041 823157320 /nfs/dbraw/zinc/15/73/20/823157320.db2.gz GNRJIAGWCGEOJL-LJQANCHMSA-N 1 2 386.858 4.218 20 0 GIADLO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)cc(Br)c1O ZINC000459297077 823157996 /nfs/dbraw/zinc/15/79/96/823157996.db2.gz FHAWSKIHOQWPDB-MRXNPFEDSA-N 1 2 379.298 4.229 20 0 GIADLO CCOc1cc(C[N@H+]2CCC[C@@H]2c2cccn2C)cc(Br)c1O ZINC000459297077 823157997 /nfs/dbraw/zinc/15/79/97/823157997.db2.gz FHAWSKIHOQWPDB-MRXNPFEDSA-N 1 2 379.298 4.229 20 0 GIADLO Cc1c2ccccc2[nH+]c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C(=O)[O-] ZINC000571287609 823160157 /nfs/dbraw/zinc/16/01/57/823160157.db2.gz IGKBVMNEUXVYNM-APWZRJJASA-N 1 2 389.499 4.128 20 0 GIADLO Cc1c2ccccc2[nH+]c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C(=O)[O-] ZINC000571287609 823160160 /nfs/dbraw/zinc/16/01/60/823160160.db2.gz IGKBVMNEUXVYNM-APWZRJJASA-N 1 2 389.499 4.128 20 0 GIADLO CC[C@H](NC(=O)c1ccccc1)c1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000571364282 823171593 /nfs/dbraw/zinc/17/15/93/823171593.db2.gz CIFVDPGVZLJBJU-YPNIWSFNSA-N 1 2 399.454 4.307 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000056561855 823170325 /nfs/dbraw/zinc/17/03/25/823170325.db2.gz PWZFUWHFIXIVDM-UHFFFAOYSA-N 1 2 395.429 4.104 20 0 GIADLO O[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000188034989 823174772 /nfs/dbraw/zinc/17/47/72/823174772.db2.gz OCUDDPFTZFACSL-IRXDYDNUSA-N 1 2 380.250 4.268 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000056587626 823175315 /nfs/dbraw/zinc/17/53/15/823175315.db2.gz VAIVZNJGGAURON-UHFFFAOYSA-N 1 2 390.793 4.080 20 0 GIADLO COc1ccc(-c2ccccc2C)cc1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000459375741 823176174 /nfs/dbraw/zinc/17/61/74/823176174.db2.gz VRTRCSVLXJWFNI-UHFFFAOYSA-N 1 2 376.504 4.278 20 0 GIADLO CC[C@H](C)Oc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000056598692 823177840 /nfs/dbraw/zinc/17/78/40/823177840.db2.gz BNQSZWXQEHTMBF-SFHVURJKSA-N 1 2 392.503 4.473 20 0 GIADLO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cccc(O)c2Br)c1 ZINC000459379951 823177978 /nfs/dbraw/zinc/17/79/78/823177978.db2.gz YSJHACJPPBAXOO-ZDUSSCGKSA-N 1 2 391.309 4.429 20 0 GIADLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459384508 823179256 /nfs/dbraw/zinc/17/92/56/823179256.db2.gz HJRZVZSMLHSECC-LJQANCHMSA-N 1 2 377.492 4.327 20 0 GIADLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459384508 823179257 /nfs/dbraw/zinc/17/92/57/823179257.db2.gz HJRZVZSMLHSECC-LJQANCHMSA-N 1 2 377.492 4.327 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)n1 ZINC000459388773 823180596 /nfs/dbraw/zinc/18/05/96/823180596.db2.gz GEZOWLUAUXDYHS-AWEZNQCLSA-N 1 2 385.386 4.142 20 0 GIADLO C[C@H]([NH2+]Cc1cccc(O)c1Br)c1cccc(N2CCCC2=O)c1 ZINC000459395986 823182536 /nfs/dbraw/zinc/18/25/36/823182536.db2.gz PZBMUIFZFABHKZ-ZDUSSCGKSA-N 1 2 389.293 4.132 20 0 GIADLO C[C@@H](CNC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl)Cn1cc[nH+]c1 ZINC000176385567 823195507 /nfs/dbraw/zinc/19/55/07/823195507.db2.gz BDJPYSXBOMFSAL-HNNXBMFYSA-N 1 2 399.926 4.221 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccccc1CN1CCc2ccccc21 ZINC000056689389 823193077 /nfs/dbraw/zinc/19/30/77/823193077.db2.gz NPHBWXNDIKHHHP-UHFFFAOYSA-N 1 2 389.503 4.048 20 0 GIADLO CO[C@@H](C)c1noc(C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)n1 ZINC000188183109 823199751 /nfs/dbraw/zinc/19/97/51/823199751.db2.gz ZFXGAHPPFPCBCX-ZUZCIYMTSA-N 1 2 398.276 4.310 20 0 GIADLO c1cn(Cc2cccc(-c3nc(C4(c5ccccc5)CCOCC4)no3)c2)c[nH+]1 ZINC000571565795 823201373 /nfs/dbraw/zinc/20/13/73/823201373.db2.gz JFQUMRLEDKKODQ-UHFFFAOYSA-N 1 2 386.455 4.078 20 0 GIADLO Fc1cc(Br)cc([C@@H](CC2CC2)[NH2+]Cc2nc(C3CC3)no2)c1 ZINC000188188040 823200351 /nfs/dbraw/zinc/20/03/51/823200351.db2.gz SKLJDZVKJNHGLG-OAHLLOKOSA-N 1 2 380.261 4.480 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2ccc(N3CCCC3=O)cc2)no1)c1cccc(Cl)c1 ZINC000571563334 823200827 /nfs/dbraw/zinc/20/08/27/823200827.db2.gz BAFDAULQVUAFQT-LJQANCHMSA-N 1 2 396.878 4.168 20 0 GIADLO CCCCOc1ccccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000056750447 823206689 /nfs/dbraw/zinc/20/66/89/823206689.db2.gz HALXIMSRDOOYLH-UHFFFAOYSA-N 1 2 378.476 4.432 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000571604345 823206790 /nfs/dbraw/zinc/20/67/90/823206790.db2.gz MULQRPHHJHZSIC-UHFFFAOYSA-N 1 2 379.769 4.475 20 0 GIADLO C[C@H]1CCN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000188224531 823206287 /nfs/dbraw/zinc/20/62/87/823206287.db2.gz YMGKWXMYQVNCMJ-WMLDXEAASA-N 1 2 395.425 4.169 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCC3)n2)cc1 ZINC000459522983 823210665 /nfs/dbraw/zinc/21/06/65/823210665.db2.gz GNIHKWPWZKTNSY-OAQYLSRUSA-N 1 2 393.487 4.129 20 0 GIADLO O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121605309 823214555 /nfs/dbraw/zinc/21/45/55/823214555.db2.gz HAORFUDJIXXBJA-GOSISDBHSA-N 1 2 398.384 4.459 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)cc(Cl)c1O ZINC000459550396 823218210 /nfs/dbraw/zinc/21/82/10/823218210.db2.gz XYKPKNLFMPZCKE-OAHLLOKOSA-N 1 2 390.911 4.096 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)cc(Cl)c1O ZINC000459550396 823218214 /nfs/dbraw/zinc/21/82/14/823218214.db2.gz XYKPKNLFMPZCKE-OAHLLOKOSA-N 1 2 390.911 4.096 20 0 GIADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](c4cccc(Br)c4)C3)ccn12 ZINC000571700339 823221275 /nfs/dbraw/zinc/22/12/75/823221275.db2.gz HWIKIGFEYZOANH-INIZCTEOSA-N 1 2 384.277 4.035 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Oc2ccccc2)nc1 ZINC000409456032 823223321 /nfs/dbraw/zinc/22/33/21/823223321.db2.gz ZNBCLCSSDFUKNR-UHFFFAOYSA-N 1 2 388.402 4.129 20 0 GIADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cccc(O)c1Br)c1ccccc1 ZINC000459551796 823218697 /nfs/dbraw/zinc/21/86/97/823218697.db2.gz PJOLLTJGVOWJPW-MRXNPFEDSA-N 1 2 392.293 4.327 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056872928 823226502 /nfs/dbraw/zinc/22/65/02/823226502.db2.gz MPYGYPIMTNBBBF-OAQYLSRUSA-N 1 2 378.451 4.117 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CCc2c1cccc2Cl ZINC000056901494 823230136 /nfs/dbraw/zinc/23/01/36/823230136.db2.gz BNDLUFIRTBWJON-HXUWFJFHSA-N 1 2 380.879 4.072 20 0 GIADLO Cc1cccn2cc(C[S@](=O)[C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)[nH+]c12 ZINC000176537439 823231983 /nfs/dbraw/zinc/23/19/83/823231983.db2.gz VBCRPTRBEPDVRV-OLRZCDJHSA-N 1 2 397.544 4.216 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409492620 823233830 /nfs/dbraw/zinc/23/38/30/823233830.db2.gz WWPQRHSULBHYRT-APWZRJJASA-N 1 2 385.826 4.381 20 0 GIADLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccccc2SC)n1 ZINC000121708482 823234807 /nfs/dbraw/zinc/23/48/07/823234807.db2.gz JBQKMUUDYOVERZ-CYBMUJFWSA-N 1 2 394.566 4.066 20 0 GIADLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2SC)n1 ZINC000121708482 823234813 /nfs/dbraw/zinc/23/48/13/823234813.db2.gz JBQKMUUDYOVERZ-CYBMUJFWSA-N 1 2 394.566 4.066 20 0 GIADLO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000571816961 823239091 /nfs/dbraw/zinc/23/90/91/823239091.db2.gz CZFSBGFXRQSDOQ-QHCPKHFHSA-N 1 2 390.531 4.403 20 0 GIADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057024303 823240287 /nfs/dbraw/zinc/24/02/87/823240287.db2.gz UHPANZMASNUMJG-ROUUACIJSA-N 1 2 381.520 4.055 20 0 GIADLO C[C@@H]1CCN(Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C[C@@H]1n1cc[nH+]c1 ZINC000121740869 823240925 /nfs/dbraw/zinc/24/09/25/823240925.db2.gz VNSKFRWGFKRJMQ-APWZRJJASA-N 1 2 394.548 4.018 20 0 GIADLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000409530272 823242808 /nfs/dbraw/zinc/24/28/08/823242808.db2.gz PJRNDTFCDCWSJV-ZDUSSCGKSA-N 1 2 391.368 4.450 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)c3cc(C)ccc3OC)co2)cc1 ZINC000459661033 823243646 /nfs/dbraw/zinc/24/36/46/823243646.db2.gz WOQKMDROJGTZLR-HNNXBMFYSA-N 1 2 380.444 4.296 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)c3cc(C)ccc3OC)co2)cc1 ZINC000459671548 823247300 /nfs/dbraw/zinc/24/73/00/823247300.db2.gz WOQKMDROJGTZLR-OAHLLOKOSA-N 1 2 380.444 4.296 20 0 GIADLO C[C@H]1CCN(C(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000188485295 823248631 /nfs/dbraw/zinc/24/86/31/823248631.db2.gz NJRGGCZGCUWDQJ-YJBOKZPZSA-N 1 2 391.437 4.334 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000057154518 823256483 /nfs/dbraw/zinc/25/64/83/823256483.db2.gz HRUCPFIUFRIVNG-UHFFFAOYSA-N 1 2 397.360 4.329 20 0 GIADLO CC(C)c1c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cnn1-c1ccccc1 ZINC000571973343 823263410 /nfs/dbraw/zinc/26/34/10/823263410.db2.gz NPEWCHKWINTROG-UHFFFAOYSA-N 1 2 378.480 4.130 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C1(c2cccc(F)c2)CCCCC1 ZINC000057213657 823265448 /nfs/dbraw/zinc/26/54/48/823265448.db2.gz CDPKURLNDOFDMA-UHFFFAOYSA-N 1 2 381.495 4.208 20 0 GIADLO CC(C)[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1 ZINC000057247670 823270584 /nfs/dbraw/zinc/27/05/84/823270584.db2.gz BNDTVVLKEAZKPI-QFIPXVFZSA-N 1 2 390.487 4.039 20 0 GIADLO CC(C)(C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1Br ZINC000409652008 823274352 /nfs/dbraw/zinc/27/43/52/823274352.db2.gz JYVVBSLZRXAAPC-UHFFFAOYSA-N 1 2 390.325 4.130 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000572080830 823279755 /nfs/dbraw/zinc/27/97/55/823279755.db2.gz BPOAPCSZTWFDPW-UCLAIMLFSA-N 1 2 392.927 4.018 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000572080830 823279761 /nfs/dbraw/zinc/27/97/61/823279761.db2.gz BPOAPCSZTWFDPW-UCLAIMLFSA-N 1 2 392.927 4.018 20 0 GIADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccoc1C1CC1 ZINC000409655269 823275125 /nfs/dbraw/zinc/27/51/25/823275125.db2.gz FZRIPNRMSZJBRS-UHFFFAOYSA-N 1 2 375.432 4.046 20 0 GIADLO CC(C)(CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000057282097 823275589 /nfs/dbraw/zinc/27/55/89/823275589.db2.gz PXVGNAWRPWTWBM-UHFFFAOYSA-N 1 2 396.922 4.362 20 0 GIADLO Cc1cc(N)nc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)[nH+]1 ZINC000007047994 817746798 /nfs/dbraw/zinc/74/67/98/817746798.db2.gz BPHMOAFBCBRRAX-UHFFFAOYSA-N 1 2 377.684 4.058 20 0 GIADLO CO[C@@H](C)c1nc(CNc2cc[nH+]c3c(Br)ccc(F)c23)cs1 ZINC000409711037 823288270 /nfs/dbraw/zinc/28/82/70/823288270.db2.gz JRFBPNCGYKYHON-VIFPVBQESA-N 1 2 396.285 4.334 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N3CCC[C@H]([C@H]4CCOC4)C3)c12 ZINC000409714774 823289151 /nfs/dbraw/zinc/28/91/51/823289151.db2.gz WURWGPTYLUSRNL-STQMWFEESA-N 1 2 379.273 4.389 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000007266101 817807370 /nfs/dbraw/zinc/80/73/70/817807370.db2.gz NBJKYEOSFAERID-ZDUSSCGKSA-N 1 2 389.293 4.111 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000007266101 817807378 /nfs/dbraw/zinc/80/73/78/817807378.db2.gz NBJKYEOSFAERID-ZDUSSCGKSA-N 1 2 389.293 4.111 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](C)Cn2ccn(-c3ccc(C)c(C)c3)c2=S)cc1 ZINC000007317372 817817643 /nfs/dbraw/zinc/81/76/43/817817643.db2.gz XRRFFRFZYDYLAG-UHFFFAOYSA-N 1 2 394.544 4.074 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](C)Cn2ccn(-c3ccc(C)c(C)c3)c2=S)cc1 ZINC000007317372 817817649 /nfs/dbraw/zinc/81/76/49/817817649.db2.gz XRRFFRFZYDYLAG-UHFFFAOYSA-N 1 2 394.544 4.074 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000057423185 823294122 /nfs/dbraw/zinc/29/41/22/823294122.db2.gz KRKZGJXYSVKJLO-IBGZPJMESA-N 1 2 386.858 4.155 20 0 GIADLO COc1cccc(C[N@H+](C)Cc2csc(-c3ccc(OC)c(OC)c3)n2)c1 ZINC000007670337 817891658 /nfs/dbraw/zinc/89/16/58/817891658.db2.gz CLCFSZRARDSDKT-UHFFFAOYSA-N 1 2 384.501 4.468 20 0 GIADLO COc1cccc(C[N@@H+](C)Cc2csc(-c3ccc(OC)c(OC)c3)n2)c1 ZINC000007670337 817891665 /nfs/dbraw/zinc/89/16/65/817891665.db2.gz CLCFSZRARDSDKT-UHFFFAOYSA-N 1 2 384.501 4.468 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)cc1 ZINC000007682668 817894392 /nfs/dbraw/zinc/89/43/92/817894392.db2.gz DNEIRXWWIGTEHN-UHFFFAOYSA-N 1 2 390.443 4.341 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)cc1 ZINC000007682668 817894400 /nfs/dbraw/zinc/89/44/00/817894400.db2.gz DNEIRXWWIGTEHN-UHFFFAOYSA-N 1 2 390.443 4.341 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)s1 ZINC000122034748 823296747 /nfs/dbraw/zinc/29/67/47/823296747.db2.gz RKPPRSMYVZSAPF-GFCCVEGCSA-N 1 2 381.929 4.307 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)s1 ZINC000122034748 823296752 /nfs/dbraw/zinc/29/67/52/823296752.db2.gz RKPPRSMYVZSAPF-GFCCVEGCSA-N 1 2 381.929 4.307 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2)s1 ZINC000122033128 823296774 /nfs/dbraw/zinc/29/67/74/823296774.db2.gz ITICPLBGIQSWFC-INIZCTEOSA-N 1 2 386.565 4.246 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2)s1 ZINC000122033128 823296776 /nfs/dbraw/zinc/29/67/76/823296776.db2.gz ITICPLBGIQSWFC-INIZCTEOSA-N 1 2 386.565 4.246 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409763084 823301573 /nfs/dbraw/zinc/30/15/73/823301573.db2.gz HYUDCQOPIAZPAU-XHSDSOJGSA-N 1 2 389.849 4.054 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409763084 823301577 /nfs/dbraw/zinc/30/15/77/823301577.db2.gz HYUDCQOPIAZPAU-XHSDSOJGSA-N 1 2 389.849 4.054 20 0 GIADLO O=C(CCOCC(F)(F)C(F)F)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000188760842 823299314 /nfs/dbraw/zinc/29/93/14/823299314.db2.gz QMJXUMKLLANWRT-UHFFFAOYSA-N 1 2 399.388 4.132 20 0 GIADLO CC[NH+](CC)[C@@H](c1nc(C2CCOCC2)no1)c1cccc(C(F)(F)F)c1 ZINC000572203595 823299396 /nfs/dbraw/zinc/29/93/96/823299396.db2.gz HXHUMBXYWRGDFY-MRXNPFEDSA-N 1 2 383.414 4.414 20 0 GIADLO COc1ccc(-c2nnc(SCc3cn4cc(C)ccc4[nH+]3)o2)cc1OC ZINC000008012228 817982782 /nfs/dbraw/zinc/98/27/82/817982782.db2.gz SWQHJTBKBDKPKJ-UHFFFAOYSA-N 1 2 382.445 4.002 20 0 GIADLO CSc1ccc2cc(C[NH+]3CCN(c4ccccn4)CC3)c(Cl)nc2c1 ZINC000008212546 818018839 /nfs/dbraw/zinc/01/88/39/818018839.db2.gz CYGCRYUKAFAVIM-UHFFFAOYSA-N 1 2 384.936 4.327 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1cc(F)ccc1F ZINC000008262238 818026138 /nfs/dbraw/zinc/02/61/38/818026138.db2.gz AHNDMGFPERFVBD-CYBMUJFWSA-N 1 2 387.455 4.393 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1cc(F)ccc1F ZINC000008262238 818026147 /nfs/dbraw/zinc/02/61/47/818026147.db2.gz AHNDMGFPERFVBD-CYBMUJFWSA-N 1 2 387.455 4.393 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3ccn(-c4ccccc4F)n3)CC2)cc1 ZINC000188787913 823305953 /nfs/dbraw/zinc/30/59/53/823305953.db2.gz TUZPTXKXQVXGOE-UHFFFAOYSA-N 1 2 393.462 4.115 20 0 GIADLO O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000057550608 823309093 /nfs/dbraw/zinc/30/90/93/823309093.db2.gz ODOOFOWOYVXCJE-HXUWFJFHSA-N 1 2 397.425 4.340 20 0 GIADLO CC[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(OC)c(OC)c1 ZINC000011366406 818075841 /nfs/dbraw/zinc/07/58/41/818075841.db2.gz FAOBBNUJAQWQCU-UHFFFAOYSA-N 1 2 387.867 4.429 20 0 GIADLO CC[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(OC)c(OC)c1 ZINC000011366406 818075844 /nfs/dbraw/zinc/07/58/44/818075844.db2.gz FAOBBNUJAQWQCU-UHFFFAOYSA-N 1 2 387.867 4.429 20 0 GIADLO COC(=O)c1cc(C[NH2+]C(c2cccc(OC)c2)c2cccc(OC)c2)oc1C ZINC000176866079 823312930 /nfs/dbraw/zinc/31/29/30/823312930.db2.gz PYZQDJHASLILHK-UHFFFAOYSA-N 1 2 395.455 4.271 20 0 GIADLO Cc1cc(C)cc(NC(=O)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000188831227 823314620 /nfs/dbraw/zinc/31/46/20/823314620.db2.gz WAWFLMVUFAUPGV-UHFFFAOYSA-N 1 2 388.471 4.080 20 0 GIADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1F ZINC000012393270 818157324 /nfs/dbraw/zinc/15/73/24/818157324.db2.gz VWTYSXVPCPROLV-UHFFFAOYSA-N 1 2 380.385 4.111 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(OC)c(Cl)c2)s1 ZINC000122180805 823317764 /nfs/dbraw/zinc/31/77/64/823317764.db2.gz RPTKNFMPQYWBLI-LBPRGKRZSA-N 1 2 381.929 4.307 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(OC)c(Cl)c2)s1 ZINC000122180805 823317768 /nfs/dbraw/zinc/31/77/68/823317768.db2.gz RPTKNFMPQYWBLI-LBPRGKRZSA-N 1 2 381.929 4.307 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C/C=C/c3cccc(F)c3)CC2)cc1 ZINC000176907842 823321724 /nfs/dbraw/zinc/32/17/24/823321724.db2.gz HHCHEONMJGEBRA-GQCTYLIASA-N 1 2 381.495 4.080 20 0 GIADLO CCCCNc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1ccccc1OC ZINC000014282496 818232284 /nfs/dbraw/zinc/23/22/84/818232284.db2.gz BFNPGKPQWLFYFD-MRXNPFEDSA-N 1 2 380.492 4.134 20 0 GIADLO O=C(N[C@H]1CCc2c1cccc2Br)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000057693075 823322191 /nfs/dbraw/zinc/32/21/91/823322191.db2.gz OXXKPMMFZPCWRT-IBGZPJMESA-N 1 2 396.288 4.111 20 0 GIADLO CC(C)C[C@H](C)OCCC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000122225590 823324059 /nfs/dbraw/zinc/32/40/59/823324059.db2.gz YNLOOUUNMFOUOW-FHWLQOOXSA-N 1 2 376.541 4.076 20 0 GIADLO C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000122227945 823324413 /nfs/dbraw/zinc/32/44/13/823324413.db2.gz OQZZSPBHKCXVIB-MRXNPFEDSA-N 1 2 383.879 4.433 20 0 GIADLO Cc1ccc(NC(=S)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(C)c1 ZINC000015152965 818295580 /nfs/dbraw/zinc/29/55/80/818295580.db2.gz JAIIPDQAKDVMRR-UHFFFAOYSA-N 1 2 383.565 4.044 20 0 GIADLO CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(C)cc[nH+]3)C2=O)cc1 ZINC000015211212 818300351 /nfs/dbraw/zinc/30/03/51/818300351.db2.gz DJXPIWHFOHFZIM-QNGOZBTKSA-N 1 2 399.450 4.429 20 0 GIADLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000015301401 818310122 /nfs/dbraw/zinc/31/01/22/818310122.db2.gz QPPIRZASUBNZCX-HNNXBMFYSA-N 1 2 392.546 4.324 20 0 GIADLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000015301401 818310128 /nfs/dbraw/zinc/31/01/28/818310128.db2.gz QPPIRZASUBNZCX-HNNXBMFYSA-N 1 2 392.546 4.324 20 0 GIADLO Cc1csc2nc(C[N@@H+]3CCc4sccc4[C@@H]3c3cccs3)cc(=O)n12 ZINC000015548738 818336809 /nfs/dbraw/zinc/33/68/09/818336809.db2.gz IFLANRAOKRVROQ-GOSISDBHSA-N 1 2 399.566 4.335 20 0 GIADLO Cc1csc2nc(C[N@H+]3CCc4sccc4[C@@H]3c3cccs3)cc(=O)n12 ZINC000015548738 818336818 /nfs/dbraw/zinc/33/68/18/818336818.db2.gz IFLANRAOKRVROQ-GOSISDBHSA-N 1 2 399.566 4.335 20 0 GIADLO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000015571475 818339906 /nfs/dbraw/zinc/33/99/06/818339906.db2.gz GIOIFWCWBOGUCU-XXBNENTESA-N 1 2 390.531 4.350 20 0 GIADLO CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000015571475 818339914 /nfs/dbraw/zinc/33/99/14/818339914.db2.gz GIOIFWCWBOGUCU-XXBNENTESA-N 1 2 390.531 4.350 20 0 GIADLO CCC(CC)(CNC(=O)N1CCn2c[nH+]cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000460250106 823330680 /nfs/dbraw/zinc/33/06/80/823330680.db2.gz IBTCNALEIYZGRD-UHFFFAOYSA-N 1 2 395.334 4.473 20 0 GIADLO O=C(/C=C/c1ccsc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015767668 818367204 /nfs/dbraw/zinc/36/72/04/818367204.db2.gz YBWFVBMNQNDWMW-ZZXKWVIFSA-N 1 2 380.435 4.125 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3csc(C(F)(F)F)n3)n2)C1 ZINC000188944253 823331600 /nfs/dbraw/zinc/33/16/00/823331600.db2.gz SUVOZKDNGRGPIA-SECBINFHSA-N 1 2 390.456 4.103 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3csc(C(F)(F)F)n3)n2)C1 ZINC000188944253 823331604 /nfs/dbraw/zinc/33/16/04/823331604.db2.gz SUVOZKDNGRGPIA-SECBINFHSA-N 1 2 390.456 4.103 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cccc(OC(F)(F)F)c1 ZINC000122318448 823337190 /nfs/dbraw/zinc/33/71/90/823337190.db2.gz HXLPGKBSCCKQGU-UHFFFAOYSA-N 1 2 394.397 4.292 20 0 GIADLO CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)Cc1ccc(Cl)s1 ZINC000016341590 818426579 /nfs/dbraw/zinc/42/65/79/818426579.db2.gz VPOYXPKUUDVKPC-ZDUSSCGKSA-N 1 2 396.940 4.118 20 0 GIADLO CC[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)Cc1ccc(Cl)s1 ZINC000016341590 818426584 /nfs/dbraw/zinc/42/65/84/818426584.db2.gz VPOYXPKUUDVKPC-ZDUSSCGKSA-N 1 2 396.940 4.118 20 0 GIADLO COc1cc(C[N@H+](Cc2nnc(-c3ccco3)o2)C2CC2)ccc1OC(F)F ZINC000016423776 818441223 /nfs/dbraw/zinc/44/12/23/818441223.db2.gz IWMOYMGLUQWZAE-UHFFFAOYSA-N 1 2 391.374 4.104 20 0 GIADLO COc1cc(C[N@@H+](Cc2nnc(-c3ccco3)o2)C2CC2)ccc1OC(F)F ZINC000016423776 818441229 /nfs/dbraw/zinc/44/12/29/818441229.db2.gz IWMOYMGLUQWZAE-UHFFFAOYSA-N 1 2 391.374 4.104 20 0 GIADLO CCN1C[C@@H](C[N@H+](C)Cc2nc(-c3cccc(Cl)c3)no2)Oc2ccccc21 ZINC000016423672 818441338 /nfs/dbraw/zinc/44/13/38/818441338.db2.gz IXOOLUKKSRQCPP-QGZVFWFLSA-N 1 2 398.894 4.109 20 0 GIADLO CCN1C[C@@H](C[N@@H+](C)Cc2nc(-c3cccc(Cl)c3)no2)Oc2ccccc21 ZINC000016423672 818441347 /nfs/dbraw/zinc/44/13/47/818441347.db2.gz IXOOLUKKSRQCPP-QGZVFWFLSA-N 1 2 398.894 4.109 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000122339741 823340658 /nfs/dbraw/zinc/34/06/58/823340658.db2.gz LZQASNCGYUUAQG-OAQYLSRUSA-N 1 2 393.535 4.294 20 0 GIADLO C[C@H](c1nnnn1C1CCCCC1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000189023066 823343391 /nfs/dbraw/zinc/34/33/91/823343391.db2.gz YMGIHNYHZNFAGX-QGZVFWFLSA-N 1 2 394.523 4.459 20 0 GIADLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000189023066 823343397 /nfs/dbraw/zinc/34/33/97/823343397.db2.gz YMGIHNYHZNFAGX-QGZVFWFLSA-N 1 2 394.523 4.459 20 0 GIADLO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000122439817 823354411 /nfs/dbraw/zinc/35/44/11/823354411.db2.gz LTMYUILQFHEWRJ-INIZCTEOSA-N 1 2 382.895 4.487 20 0 GIADLO COCc1cnc(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)s1 ZINC000572507146 823351456 /nfs/dbraw/zinc/35/14/56/823351456.db2.gz DBNYBZWPUYDIIJ-UHFFFAOYSA-N 1 2 395.244 4.361 20 0 GIADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000021584111 818708436 /nfs/dbraw/zinc/70/84/36/818708436.db2.gz BZYQWBZFUQVOST-PXNSSMCTSA-N 1 2 386.561 4.169 20 0 GIADLO CCc1ccc([C@H](C)NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000021584111 818708445 /nfs/dbraw/zinc/70/84/45/818708445.db2.gz BZYQWBZFUQVOST-PXNSSMCTSA-N 1 2 386.561 4.169 20 0 GIADLO O=C(CCn1cc[nH+]c1)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000460335095 823357270 /nfs/dbraw/zinc/35/72/70/823357270.db2.gz MZUBEFIBAREMJN-UHFFFAOYSA-N 1 2 379.426 4.310 20 0 GIADLO O=C(CCCCOc1ccc(Br)cc1)Nc1cccc2[nH+]ccn21 ZINC000460338070 823357646 /nfs/dbraw/zinc/35/76/46/823357646.db2.gz YPCCSCUYGGFCGZ-UHFFFAOYSA-N 1 2 388.265 4.285 20 0 GIADLO CC(C)C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1cccc(C(F)(F)F)c1 ZINC000460352672 823361355 /nfs/dbraw/zinc/36/13/55/823361355.db2.gz OUCRQFAAQYVJGC-KRWDZBQOSA-N 1 2 380.414 4.215 20 0 GIADLO COc1ccc(NC(=O)[C@@H]([NH2+][C@@H](C)c2cn[nH]c2)c2ccccc2)cc1Cl ZINC000460342765 823358934 /nfs/dbraw/zinc/35/89/34/823358934.db2.gz JIMQJZGFCPJEJP-DJJJIMSYSA-N 1 2 384.867 4.102 20 0 GIADLO O=c1nc(C[NH+]2CCC([C@@H]3CCCO3)CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000189112998 823359559 /nfs/dbraw/zinc/35/95/59/823359559.db2.gz PEEIOYNDLWXSOY-SFHVURJKSA-N 1 2 395.528 4.043 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](C)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000058072160 823359716 /nfs/dbraw/zinc/35/97/16/823359716.db2.gz PPZKXPUXXARONS-UHFFFAOYSA-N 1 2 385.920 4.455 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](C)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000058072160 823359722 /nfs/dbraw/zinc/35/97/22/823359722.db2.gz PPZKXPUXXARONS-UHFFFAOYSA-N 1 2 385.920 4.455 20 0 GIADLO CC(C)C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1cccc(C(F)(F)F)c1 ZINC000460352673 823361438 /nfs/dbraw/zinc/36/14/38/823361438.db2.gz OUCRQFAAQYVJGC-QGZVFWFLSA-N 1 2 380.414 4.215 20 0 GIADLO CC(C)(C)[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1cccc(C(F)(F)F)c1 ZINC000460346645 823360093 /nfs/dbraw/zinc/36/00/93/823360093.db2.gz AHKVTMNXVDNWKA-INIZCTEOSA-N 1 2 380.414 4.215 20 0 GIADLO Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000021929945 818756223 /nfs/dbraw/zinc/75/62/23/818756223.db2.gz OAPYVZFDUOACAY-UHFFFAOYSA-N 1 2 377.513 4.077 20 0 GIADLO CCOc1ccccc1CCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000022291776 818791013 /nfs/dbraw/zinc/79/10/13/818791013.db2.gz HWDZPZVHMFQNFO-UHFFFAOYSA-N 1 2 387.549 4.345 20 0 GIADLO CC(C)[C@@H]1C[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO1 ZINC000572596830 823367293 /nfs/dbraw/zinc/36/72/93/823367293.db2.gz LJKLYFLYHLZXES-UWJYYQICSA-N 1 2 396.535 4.459 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2coc3ccc(F)cc23)C[C@H](C)O1 ZINC000572604169 823368288 /nfs/dbraw/zinc/36/82/88/823368288.db2.gz HFBJUZVTGOYWFQ-GASCZTMLSA-N 1 2 382.435 4.433 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2coc3ccc(F)cc23)C[C@H](C)O1 ZINC000572604169 823368294 /nfs/dbraw/zinc/36/82/94/823368294.db2.gz HFBJUZVTGOYWFQ-GASCZTMLSA-N 1 2 382.435 4.433 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000572603830 823368369 /nfs/dbraw/zinc/36/83/69/823368369.db2.gz LEZMUIPFHSSSLR-CTNGQTDRSA-N 1 2 380.536 4.335 20 0 GIADLO Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[nH]c2c1C(=O)CCC2 ZINC000022766811 818858146 /nfs/dbraw/zinc/85/81/46/818858146.db2.gz KPRVGYUCIBPABL-SFHVURJKSA-N 1 2 399.922 4.062 20 0 GIADLO CC(C)CCC[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000177094498 823370119 /nfs/dbraw/zinc/37/01/19/823370119.db2.gz MZHZAZCSQCVYGI-QGZVFWFLSA-N 1 2 396.535 4.156 20 0 GIADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000023040176 818890813 /nfs/dbraw/zinc/89/08/13/818890813.db2.gz BOFHHPBCWOCKHR-GFCCVEGCSA-N 1 2 397.263 4.037 20 0 GIADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000023040176 818890820 /nfs/dbraw/zinc/89/08/20/818890820.db2.gz BOFHHPBCWOCKHR-GFCCVEGCSA-N 1 2 397.263 4.037 20 0 GIADLO COc1cc(F)c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1OC ZINC000177102943 823371712 /nfs/dbraw/zinc/37/17/12/823371712.db2.gz ATNQJFKZRYPPEU-UHFFFAOYSA-N 1 2 395.434 4.295 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cnn(Cc2ccccc2Cl)c1 ZINC000023890335 818990211 /nfs/dbraw/zinc/99/02/11/818990211.db2.gz XMMQAXOZONTMBS-UHFFFAOYSA-N 1 2 377.835 4.023 20 0 GIADLO CC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000177127796 823377849 /nfs/dbraw/zinc/37/78/49/823377849.db2.gz WYUNXPKGZLXPNG-NRFANRHFSA-N 1 2 383.467 4.086 20 0 GIADLO CC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000177127796 823377859 /nfs/dbraw/zinc/37/78/59/823377859.db2.gz WYUNXPKGZLXPNG-NRFANRHFSA-N 1 2 383.467 4.086 20 0 GIADLO Cc1cc(C)cc([C@H](C)NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000410046524 823379037 /nfs/dbraw/zinc/37/90/37/823379037.db2.gz LLDSVMXCEMSIQG-SFHVURJKSA-N 1 2 390.487 4.020 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCc3ccc(C4CC4)cc3)CC2)cc1 ZINC000189306354 823391166 /nfs/dbraw/zinc/39/11/66/823391166.db2.gz YXUVMPNDDCUWJR-UHFFFAOYSA-N 1 2 392.547 4.098 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000177186104 823394280 /nfs/dbraw/zinc/39/42/80/823394280.db2.gz IRONEFKPARHMDP-UHFFFAOYSA-N 1 2 391.475 4.412 20 0 GIADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000410135558 823399017 /nfs/dbraw/zinc/39/90/17/823399017.db2.gz NXOQSACAJFIWRC-HMXCVIKNSA-N 1 2 382.552 4.234 20 0 GIADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000410135560 823399114 /nfs/dbraw/zinc/39/91/14/823399114.db2.gz NXOQSACAJFIWRC-NRSPTQNISA-N 1 2 382.552 4.234 20 0 GIADLO Cc1ccc(-c2nc(C[N@@H+]3CCCN(C(=O)CC4CCCC4)CC3)co2)cc1 ZINC000058579338 823412249 /nfs/dbraw/zinc/41/22/49/823412249.db2.gz RZUSNSSWRKXTSR-UHFFFAOYSA-N 1 2 381.520 4.265 20 0 GIADLO Cc1ccc(-c2nc(C[N@H+]3CCCN(C(=O)CC4CCCC4)CC3)co2)cc1 ZINC000058579338 823412251 /nfs/dbraw/zinc/41/22/51/823412251.db2.gz RZUSNSSWRKXTSR-UHFFFAOYSA-N 1 2 381.520 4.265 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C ZINC000058601688 823415117 /nfs/dbraw/zinc/41/51/17/823415117.db2.gz UWNAWVLOTMPRPU-UHFFFAOYSA-N 1 2 383.370 4.270 20 0 GIADLO CCOc1ccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1OCC ZINC000058607161 823415989 /nfs/dbraw/zinc/41/59/89/823415989.db2.gz SBORFAXGXTVBOW-UHFFFAOYSA-N 1 2 387.480 4.168 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1C ZINC000058609441 823416290 /nfs/dbraw/zinc/41/62/90/823416290.db2.gz FWGVJQPWTIPXML-UHFFFAOYSA-N 1 2 397.475 4.412 20 0 GIADLO COc1cc(Br)ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000122810572 823416433 /nfs/dbraw/zinc/41/64/33/823416433.db2.gz BMHRJFTVYLQXTM-UHFFFAOYSA-N 1 2 390.212 4.035 20 0 GIADLO c1cn(-c2ccc(C[N@@H+]3CCCC[C@@H]3c3nc(-c4ccccc4)no3)cn2)cn1 ZINC000177275677 823418223 /nfs/dbraw/zinc/41/82/23/823418223.db2.gz SIFZBWRTDWCAKA-LJQANCHMSA-N 1 2 386.459 4.045 20 0 GIADLO c1cn(-c2ccc(C[N@H+]3CCCC[C@@H]3c3nc(-c4ccccc4)no3)cn2)cn1 ZINC000177275677 823418224 /nfs/dbraw/zinc/41/82/24/823418224.db2.gz SIFZBWRTDWCAKA-LJQANCHMSA-N 1 2 386.459 4.045 20 0 GIADLO C[C@@H](CCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)CC(C)(C)C ZINC000189474329 823424772 /nfs/dbraw/zinc/42/47/72/823424772.db2.gz FXHFMNRLXSGPLA-KRWDZBQOSA-N 1 2 384.524 4.104 20 0 GIADLO CCOc1ccc(CC(=O)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000460534693 823422941 /nfs/dbraw/zinc/42/29/41/823422941.db2.gz SCMUAZGZLVMRJJ-QGZVFWFLSA-N 1 2 386.923 4.187 20 0 GIADLO Cc1ccc(Cc2ccccn2)cc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000572941553 823424363 /nfs/dbraw/zinc/42/43/63/823424363.db2.gz VPBPYFAGMLPKFP-UHFFFAOYSA-N 1 2 397.482 4.488 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(OC(F)F)c(F)c3)cn2c1 ZINC000122887397 823429051 /nfs/dbraw/zinc/42/90/51/823429051.db2.gz KOUOQOOGQVLRTL-UHFFFAOYSA-N 1 2 395.406 4.255 20 0 GIADLO CSc1ccc([C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000410235197 823429110 /nfs/dbraw/zinc/42/91/10/823429110.db2.gz GIBRAEAKRJUUSB-OXJNMPFZSA-N 1 2 386.586 4.376 20 0 GIADLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000189495188 823430526 /nfs/dbraw/zinc/43/05/26/823430526.db2.gz IOQLJXFUSLPABE-AUUYWEPGSA-N 1 2 376.859 4.270 20 0 GIADLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCC(=O)Nc1ccccc1F ZINC000189495188 823430530 /nfs/dbraw/zinc/43/05/30/823430530.db2.gz IOQLJXFUSLPABE-AUUYWEPGSA-N 1 2 376.859 4.270 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCc2c(Cl)cccc2Cl)c1C ZINC000060559027 823542046 /nfs/dbraw/zinc/54/20/46/823542046.db2.gz LUZMYXWVWOMFLS-UHFFFAOYSA-N 1 2 396.318 4.398 20 0 GIADLO CCCC(=O)Nc1cccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000122895700 823430626 /nfs/dbraw/zinc/43/06/26/823430626.db2.gz KTFFBMQFWZFZAW-UHFFFAOYSA-N 1 2 396.516 4.253 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Nc2cccc3ccn(C)c32)C[C@H](C)O1 ZINC000189501005 823432060 /nfs/dbraw/zinc/43/20/60/823432060.db2.gz KJTPSMBEQYFCRF-IRXDYDNUSA-N 1 2 392.503 4.432 20 0 GIADLO Fc1ccc(-c2nc(CN3CC[NH+](Cc4cccc(Cl)c4)CC3)co2)cc1 ZINC000024595373 819854841 /nfs/dbraw/zinc/85/48/41/819854841.db2.gz BZYFWVHOWLQUGR-UHFFFAOYSA-N 1 2 385.870 4.452 20 0 GIADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024747673 819872865 /nfs/dbraw/zinc/87/28/65/819872865.db2.gz IYNOZLACZDNQMD-OAHLLOKOSA-N 1 2 385.920 4.382 20 0 GIADLO O=C(COc1ccccc1-c1ccccc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024753540 819874190 /nfs/dbraw/zinc/87/41/90/819874190.db2.gz SEATZDQBHZXSPR-UHFFFAOYSA-N 1 2 397.478 4.294 20 0 GIADLO CCSCc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410253072 823435154 /nfs/dbraw/zinc/43/51/54/823435154.db2.gz BNGKRVDSLNFVPB-LJQANCHMSA-N 1 2 383.561 4.492 20 0 GIADLO C[C@H](CSc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410254465 823435368 /nfs/dbraw/zinc/43/53/68/823435368.db2.gz GICVYGVMZCEEKN-MSOLQXFVSA-N 1 2 383.561 4.354 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)C1 ZINC000024887523 819889601 /nfs/dbraw/zinc/88/96/01/819889601.db2.gz WVAWZEMZNKDWGB-HNNXBMFYSA-N 1 2 382.533 4.428 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)C1 ZINC000024887523 819889614 /nfs/dbraw/zinc/88/96/14/819889614.db2.gz WVAWZEMZNKDWGB-HNNXBMFYSA-N 1 2 382.533 4.428 20 0 GIADLO O=C(Cc1ccccc1C(F)(F)F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410256798 823436462 /nfs/dbraw/zinc/43/64/62/823436462.db2.gz LRZKCZWFQOJWGB-INIZCTEOSA-N 1 2 391.437 4.187 20 0 GIADLO O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410265137 823440105 /nfs/dbraw/zinc/44/01/05/823440105.db2.gz MAZAKLCVJMERAY-HNNXBMFYSA-N 1 2 397.906 4.055 20 0 GIADLO O=C([C@@H]1CCOc2ccc(Cl)cc21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410268028 823441746 /nfs/dbraw/zinc/44/17/46/823441746.db2.gz ABWOHJFGNHTIGQ-CRAIPNDOSA-N 1 2 399.922 4.145 20 0 GIADLO CSc1ccccc1[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000410268418 823442009 /nfs/dbraw/zinc/44/20/09/823442009.db2.gz NTWYJLBXTUNHOZ-OXQOHEQNSA-N 1 2 386.586 4.376 20 0 GIADLO O=C(CCOc1ccc(Cl)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410268708 823442330 /nfs/dbraw/zinc/44/23/30/823442330.db2.gz CGSVXQFRZGJKNS-INIZCTEOSA-N 1 2 387.911 4.048 20 0 GIADLO CCN(c1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1)C(C)C ZINC000410274233 823444468 /nfs/dbraw/zinc/44/44/68/823444468.db2.gz BWSQYCUTTUMAHX-FQEVSTJZSA-N 1 2 394.563 4.474 20 0 GIADLO Cc1ccc(-c2nc(CN3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)co2)cc1 ZINC000025579561 820004260 /nfs/dbraw/zinc/00/42/60/820004260.db2.gz DDGAZZXTFOVGCR-UHFFFAOYSA-N 1 2 391.519 4.194 20 0 GIADLO Cc1ccc(SCCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410276389 823445162 /nfs/dbraw/zinc/44/51/62/823445162.db2.gz OVQXHHVYTVYLPP-SFHVURJKSA-N 1 2 383.561 4.416 20 0 GIADLO O=C(CSc1ccccc1Cl)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281151 823446941 /nfs/dbraw/zinc/44/69/41/823446941.db2.gz FTQMSUVXQJAGJB-HNNXBMFYSA-N 1 2 389.952 4.371 20 0 GIADLO O=C(c1cccc2ccccc21)N1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000025948153 820043601 /nfs/dbraw/zinc/04/36/01/820043601.db2.gz XYPOKWPLQOLPRT-UHFFFAOYSA-N 1 2 399.469 4.485 20 0 GIADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000026124874 820062081 /nfs/dbraw/zinc/06/20/81/820062081.db2.gz MTNNDXQVNCTDOY-FQEVSTJZSA-N 1 2 399.922 4.254 20 0 GIADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000026124874 820062089 /nfs/dbraw/zinc/06/20/89/820062089.db2.gz MTNNDXQVNCTDOY-FQEVSTJZSA-N 1 2 399.922 4.254 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2cnc3ccccc3n2)CC1 ZINC000026137081 820063806 /nfs/dbraw/zinc/06/38/06/820063806.db2.gz NSJWTUKIWUUBAS-HNNXBMFYSA-N 1 2 375.501 4.123 20 0 GIADLO CCCc1sc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1CC ZINC000026214721 820070370 /nfs/dbraw/zinc/07/03/70/820070370.db2.gz HOYVIDRJXRQIOZ-UHFFFAOYSA-N 1 2 381.545 4.480 20 0 GIADLO C[C@H](Oc1ccccc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000573129910 823451246 /nfs/dbraw/zinc/45/12/46/823451246.db2.gz WVOMLCJVZKMSIR-FHWLQOOXSA-N 1 2 397.519 4.057 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)C2CC2)cc1 ZINC000026476229 820102499 /nfs/dbraw/zinc/10/24/99/820102499.db2.gz KPXNBXSLGQSSKW-LOSJGSFVSA-N 1 2 385.511 4.337 20 0 GIADLO CCc1cccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)c1 ZINC000026639188 820126237 /nfs/dbraw/zinc/12/62/37/820126237.db2.gz AKMBDKKAZYYWLF-UHFFFAOYSA-N 1 2 378.516 4.399 20 0 GIADLO O=C(NCCn1cc[nH+]c1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000123059790 823455159 /nfs/dbraw/zinc/45/51/59/823455159.db2.gz WFNNRXXVGIZKPB-UHFFFAOYSA-N 1 2 379.291 4.079 20 0 GIADLO O=C(NCc1csc2ccccc12)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058808762 823455953 /nfs/dbraw/zinc/45/59/53/823455953.db2.gz QNZWYFGDAKYAOV-FQEVSTJZSA-N 1 2 382.554 4.308 20 0 GIADLO Cc1nc(C(C)(C)C)sc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410310065 823459477 /nfs/dbraw/zinc/45/94/77/823459477.db2.gz GTYACWLHNGXPTF-UHFFFAOYSA-N 1 2 386.565 4.454 20 0 GIADLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026813306 820148302 /nfs/dbraw/zinc/14/83/02/820148302.db2.gz MYXGDLRJPLIDOD-GFCCVEGCSA-N 1 2 393.965 4.490 20 0 GIADLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026813306 820148306 /nfs/dbraw/zinc/14/83/06/820148306.db2.gz MYXGDLRJPLIDOD-GFCCVEGCSA-N 1 2 393.965 4.490 20 0 GIADLO CCCOCc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058810653 823456420 /nfs/dbraw/zinc/45/64/20/823456420.db2.gz ZJUNYTYRDLNCTB-JOCHJYFZSA-N 1 2 398.572 4.020 20 0 GIADLO CSc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410302678 823456493 /nfs/dbraw/zinc/45/64/93/823456493.db2.gz BZIBMSMJLCAIHR-SJORKVTESA-N 1 2 399.560 4.115 20 0 GIADLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000177414235 823456792 /nfs/dbraw/zinc/45/67/92/823456792.db2.gz WUCPKMLCWVXVTD-FZKQIMNGSA-N 1 2 385.851 4.030 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(-c3nc(C)co3)c2)c1C ZINC000177424378 823459577 /nfs/dbraw/zinc/45/95/77/823459577.db2.gz LKPJFIQALWBBGL-UHFFFAOYSA-N 1 2 380.448 4.334 20 0 GIADLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000177416068 823457301 /nfs/dbraw/zinc/45/73/01/823457301.db2.gz DYIQOSFZUORJTQ-ACJLOTCBSA-N 1 2 385.851 4.030 20 0 GIADLO C[N@@H+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@@H](c2ccccc2)C1 ZINC000026937197 820165646 /nfs/dbraw/zinc/16/56/46/820165646.db2.gz GEJXTJCICSNISH-LJQANCHMSA-N 1 2 381.863 4.124 20 0 GIADLO C[N@H+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@@H](c2ccccc2)C1 ZINC000026937197 820165649 /nfs/dbraw/zinc/16/56/49/820165649.db2.gz GEJXTJCICSNISH-LJQANCHMSA-N 1 2 381.863 4.124 20 0 GIADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000026939465 820166427 /nfs/dbraw/zinc/16/64/27/820166427.db2.gz OAANVCQYKUIUCI-HNNXBMFYSA-N 1 2 390.886 4.224 20 0 GIADLO Nc1c(Cl)cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1Cl ZINC000058823583 823459642 /nfs/dbraw/zinc/45/96/42/823459642.db2.gz BXAFNDQVZRKPNK-QGZVFWFLSA-N 1 2 396.343 4.304 20 0 GIADLO COc1cccc(NC(=O)[C@@H]([NH2+]Cc2cc(F)cc(F)c2)c2ccccc2)c1 ZINC000026996368 820176488 /nfs/dbraw/zinc/17/64/88/820176488.db2.gz ITSFJCUWDGYDPW-NRFANRHFSA-N 1 2 382.410 4.443 20 0 GIADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027474475 820249489 /nfs/dbraw/zinc/24/94/89/820249489.db2.gz UKWMHHDAGOPIQF-INIZCTEOSA-N 1 2 399.947 4.424 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@H+](C)Cc1cnn(C)c1 ZINC000027539553 820258009 /nfs/dbraw/zinc/25/80/09/820258009.db2.gz YZZJYXVLPTVSBI-INIZCTEOSA-N 1 2 380.517 4.030 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000123112785 823464628 /nfs/dbraw/zinc/46/46/28/823464628.db2.gz FAZXIPIBPQCFPA-UHFFFAOYSA-N 1 2 392.503 4.196 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000027539553 820258013 /nfs/dbraw/zinc/25/80/13/820258013.db2.gz YZZJYXVLPTVSBI-INIZCTEOSA-N 1 2 380.517 4.030 20 0 GIADLO C[C@@H](SCc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410328919 823464731 /nfs/dbraw/zinc/46/47/31/823464731.db2.gz UUCAOEMQXXLRHU-MJGOQNOKSA-N 1 2 383.561 4.247 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)CCc3cc(C)cc(C)c3)CCCC2)no1 ZINC000123154040 823471142 /nfs/dbraw/zinc/47/11/42/823471142.db2.gz WOLICDXHJPKUBN-UHFFFAOYSA-N 1 2 398.551 4.047 20 0 GIADLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000027737357 820281589 /nfs/dbraw/zinc/28/15/89/820281589.db2.gz ZFRKNRUGBNBCFB-GFCCVEGCSA-N 1 2 398.837 4.409 20 0 GIADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000027737357 820281598 /nfs/dbraw/zinc/28/15/98/820281598.db2.gz ZFRKNRUGBNBCFB-GFCCVEGCSA-N 1 2 398.837 4.409 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[NH+]1CCC2(CC1)OCCO2 ZINC000028078741 820309580 /nfs/dbraw/zinc/30/95/80/820309580.db2.gz HNPPTLHJIUDXSH-QGZVFWFLSA-N 1 2 398.528 4.004 20 0 GIADLO CN(C(=O)C[N@@H+]1CCc2sccc2C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000028175122 820315852 /nfs/dbraw/zinc/31/58/52/820315852.db2.gz DCLBMVCNGJEYMG-QHCPKHFHSA-N 1 2 394.515 4.493 20 0 GIADLO CN(C(=O)C[N@H+]1CCc2sccc2C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000028175122 820315862 /nfs/dbraw/zinc/31/58/62/820315862.db2.gz DCLBMVCNGJEYMG-QHCPKHFHSA-N 1 2 394.515 4.493 20 0 GIADLO CC(C)c1nc(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)c2ccccn21 ZINC000573256272 823471547 /nfs/dbraw/zinc/47/15/47/823471547.db2.gz HIXIVBYOUGBEKL-UHFFFAOYSA-N 1 2 376.504 4.486 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3csc4ccccc34)CC2)cc1 ZINC000028733373 820354171 /nfs/dbraw/zinc/35/41/71/820354171.db2.gz ZFAXXALMYYAVPU-UHFFFAOYSA-N 1 2 380.513 4.258 20 0 GIADLO CCn1c2ccccc2[nH+]c1NCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000460681677 823477243 /nfs/dbraw/zinc/47/72/43/823477243.db2.gz XOMUBVPGPZOUTA-UHFFFAOYSA-N 1 2 388.471 4.073 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3cc(Cl)c(Cl)n3C)n2)CC1 ZINC000028934099 820375773 /nfs/dbraw/zinc/37/57/73/820375773.db2.gz AIUHGKSSFWGQAI-UHFFFAOYSA-N 1 2 387.336 4.273 20 0 GIADLO CC[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccc(Cl)s1 ZINC000029054557 820387825 /nfs/dbraw/zinc/38/78/25/820387825.db2.gz FVDARFCWPPZKJY-UHFFFAOYSA-N 1 2 388.867 4.141 20 0 GIADLO CC[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccc(Cl)s1 ZINC000029054557 820387835 /nfs/dbraw/zinc/38/78/35/820387835.db2.gz FVDARFCWPPZKJY-UHFFFAOYSA-N 1 2 388.867 4.141 20 0 GIADLO CCc1noc(CSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000029141867 820398495 /nfs/dbraw/zinc/39/84/95/820398495.db2.gz SQLZUJJZTVZDDU-HNNXBMFYSA-N 1 2 398.536 4.052 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2c(C)nc3ccccc3c2C)c1C ZINC000058957246 823476073 /nfs/dbraw/zinc/47/60/73/823476073.db2.gz YNOWMYAMZKRXOO-UHFFFAOYSA-N 1 2 377.488 4.073 20 0 GIADLO Cn1ccc2ccc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccc(F)c(F)c3)cc21 ZINC000189699035 823478775 /nfs/dbraw/zinc/47/87/75/823478775.db2.gz GPDGYGBVGQINOU-AZUAARDMSA-N 1 2 384.430 4.023 20 0 GIADLO Cn1ccc2ccc(NC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccc(F)c(F)c3)cc21 ZINC000189699035 823478779 /nfs/dbraw/zinc/47/87/79/823478779.db2.gz GPDGYGBVGQINOU-AZUAARDMSA-N 1 2 384.430 4.023 20 0 GIADLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000029499354 820464165 /nfs/dbraw/zinc/46/41/65/820464165.db2.gz BIYAPIWJCSSJHS-UHFFFAOYSA-N 1 2 392.246 4.250 20 0 GIADLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000029499354 820464171 /nfs/dbraw/zinc/46/41/71/820464171.db2.gz BIYAPIWJCSSJHS-UHFFFAOYSA-N 1 2 392.246 4.250 20 0 GIADLO CCN(CC)c1ccc(-c2nn(C[N@H+](C)[C@@H](C)C(C)C)c(=S)n2C)cc1 ZINC000029541867 820472709 /nfs/dbraw/zinc/47/27/09/820472709.db2.gz RYQPHMFSNXNXDD-INIZCTEOSA-N 1 2 375.586 4.398 20 0 GIADLO CCN(CC)c1ccc(-c2nn(C[N@@H+](C)[C@@H](C)C(C)C)c(=S)n2C)cc1 ZINC000029541867 820472715 /nfs/dbraw/zinc/47/27/15/820472715.db2.gz RYQPHMFSNXNXDD-INIZCTEOSA-N 1 2 375.586 4.398 20 0 GIADLO CC(C)c1ccccc1-n1ccn(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1=S ZINC000029582943 820479162 /nfs/dbraw/zinc/47/91/62/820479162.db2.gz ISUCTPFEYPCMNA-UHFFFAOYSA-N 1 2 398.576 4.080 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000029667731 820495646 /nfs/dbraw/zinc/49/56/46/820495646.db2.gz IKYJYSHYAPLUNO-UHFFFAOYSA-N 1 2 384.483 4.222 20 0 GIADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000029686955 820497811 /nfs/dbraw/zinc/49/78/11/820497811.db2.gz NRAYFCLDVMXWDH-CQSZACIVSA-N 1 2 388.924 4.330 20 0 GIADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000029686963 820498010 /nfs/dbraw/zinc/49/80/10/820498010.db2.gz NRAYFCLDVMXWDH-AWEZNQCLSA-N 1 2 388.924 4.330 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)c2cccnc12 ZINC000029784857 820518566 /nfs/dbraw/zinc/51/85/66/820518566.db2.gz HMSSJCIBNWVIRM-UHFFFAOYSA-N 1 2 376.847 4.063 20 0 GIADLO CCCCOc1ccc([C@@H](C)NC(=O)Nc2ccn3cc[nH+]c3c2)cc1OC ZINC000573371443 823485797 /nfs/dbraw/zinc/48/57/97/823485797.db2.gz ZISJYDJWYUIGBM-OAHLLOKOSA-N 1 2 382.464 4.405 20 0 GIADLO C[C@@H]1CCN(C(=O)c2csc(-c3c(F)cccc3F)n2)C[C@H]1n1cc[nH+]c1 ZINC000177541950 823486573 /nfs/dbraw/zinc/48/65/73/823486573.db2.gz UNUYYPFLVNVNOR-MLGOLLRUSA-N 1 2 388.443 4.008 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc2c3c(cccc31)CC2 ZINC000029870913 820536734 /nfs/dbraw/zinc/53/67/34/820536734.db2.gz HTKMFVVOJBEPRW-UHFFFAOYSA-N 1 2 381.479 4.156 20 0 GIADLO Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029907995 820545820 /nfs/dbraw/zinc/54/58/20/820545820.db2.gz BUDDGMNBNWAQNZ-UHFFFAOYSA-N 1 2 388.427 4.308 20 0 GIADLO Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029912215 820546799 /nfs/dbraw/zinc/54/67/99/820546799.db2.gz NAWWDDOGSMGXRA-UHFFFAOYSA-N 1 2 392.440 4.340 20 0 GIADLO Cc1sc2ncnc(SCC(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c2c1C ZINC000029951272 820555930 /nfs/dbraw/zinc/55/59/30/820555930.db2.gz GVVMITJBNRJYSW-UHFFFAOYSA-N 1 2 395.513 4.225 20 0 GIADLO C[C@@H]1SCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000573402769 823488825 /nfs/dbraw/zinc/48/88/25/823488825.db2.gz OUYNUKUVRBHJBC-LAUBAEHRSA-N 1 2 377.513 4.250 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1SCc1ccco1 ZINC000030012673 820568750 /nfs/dbraw/zinc/56/87/50/820568750.db2.gz FYSGFIYWYWRWMN-UHFFFAOYSA-N 1 2 393.512 4.497 20 0 GIADLO O=C(CSc1ccc2ccccc2c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030012126 820568906 /nfs/dbraw/zinc/56/89/06/820568906.db2.gz AMASNZUFFKWSEQ-UHFFFAOYSA-N 1 2 377.513 4.244 20 0 GIADLO C[N@@H+]1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)[C@H](c2ccccc2)C1 ZINC000030030760 820571910 /nfs/dbraw/zinc/57/19/10/820571910.db2.gz IVJLRRJIGFBRGW-NRFANRHFSA-N 1 2 394.446 4.127 20 0 GIADLO C[N@H+]1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)[C@H](c2ccccc2)C1 ZINC000030030760 820571918 /nfs/dbraw/zinc/57/19/18/820571918.db2.gz IVJLRRJIGFBRGW-NRFANRHFSA-N 1 2 394.446 4.127 20 0 GIADLO O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181567 820584961 /nfs/dbraw/zinc/58/49/61/820584961.db2.gz FEBCCYQCUQDPIL-UHFFFAOYSA-N 1 2 396.487 4.218 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1Cc1ccccc1 ZINC000030217367 820588463 /nfs/dbraw/zinc/58/84/63/820588463.db2.gz ZNUYVPNFYUCIDX-UHFFFAOYSA-N 1 2 381.479 4.452 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1C(=O)c1ccccc1 ZINC000030218732 820589131 /nfs/dbraw/zinc/58/91/31/820589131.db2.gz LLHMTLLQWGHVHO-UHFFFAOYSA-N 1 2 395.462 4.092 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@@H]1n1cc[nH+]c1 ZINC000177575273 823494621 /nfs/dbraw/zinc/49/46/21/823494621.db2.gz ANIYADBGNFHZHG-RDJZCZTQSA-N 1 2 382.464 4.040 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)cc(C(F)(F)F)c3)sc2C1 ZINC000123312508 823494849 /nfs/dbraw/zinc/49/48/49/823494849.db2.gz KSXPDNZRCVUNEN-UHFFFAOYSA-N 1 2 375.803 4.056 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)c3cc(Cl)cc(C(F)(F)F)c3)sc2C1 ZINC000123312508 823494852 /nfs/dbraw/zinc/49/48/52/823494852.db2.gz KSXPDNZRCVUNEN-UHFFFAOYSA-N 1 2 375.803 4.056 20 0 GIADLO CCCn1cc(C[NH2+][C@@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cn1 ZINC000177563076 823492159 /nfs/dbraw/zinc/49/21/59/823492159.db2.gz DLWFUDDEZGXTKG-QFIPXVFZSA-N 1 2 383.467 4.329 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1csc(Cc2ccccc2)n1 ZINC000030558083 820640444 /nfs/dbraw/zinc/64/04/44/820640444.db2.gz VAFKECQFQYNDLV-UHFFFAOYSA-N 1 2 398.557 4.429 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)C1 ZINC000030580806 820644826 /nfs/dbraw/zinc/64/48/26/820644826.db2.gz JIGISSURXYQQJY-JTQLQIEISA-N 1 2 385.320 4.329 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)C1 ZINC000030580806 820644830 /nfs/dbraw/zinc/64/48/30/820644830.db2.gz JIGISSURXYQQJY-JTQLQIEISA-N 1 2 385.320 4.329 20 0 GIADLO CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030609469 820650159 /nfs/dbraw/zinc/65/01/59/820650159.db2.gz RQVKRGNYUKEUPU-UHFFFAOYSA-N 1 2 392.459 4.401 20 0 GIADLO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)cc1OC ZINC000123387890 823504245 /nfs/dbraw/zinc/50/42/45/823504245.db2.gz DZXGLDLCDQSMAE-CABCVRRESA-N 1 2 382.464 4.341 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)C[C@H]1COc2ccccc2O1 ZINC000031173593 820758954 /nfs/dbraw/zinc/75/89/54/820758954.db2.gz XHCXWUKZHSOWEG-INIZCTEOSA-N 1 2 388.895 4.057 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)C[C@H]1COc2ccccc2O1 ZINC000031173593 820758960 /nfs/dbraw/zinc/75/89/60/820758960.db2.gz XHCXWUKZHSOWEG-INIZCTEOSA-N 1 2 388.895 4.057 20 0 GIADLO CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000060046837 823505913 /nfs/dbraw/zinc/50/59/13/823505913.db2.gz NPQUWCHLSNYENJ-MRXNPFEDSA-N 1 2 381.451 4.220 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3cc4c(cccc4F)s3)CC2)nc(C(C)C)[nH+]1 ZINC000031493781 820817554 /nfs/dbraw/zinc/81/75/54/820817554.db2.gz SWHZFSFKLWFQET-UHFFFAOYSA-N 1 2 398.507 4.225 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](CC(C)(C)O)C2CC2)cs1)c1ccc(C)c(C)c1 ZINC000189862295 823507378 /nfs/dbraw/zinc/50/73/78/823507378.db2.gz KBSAVUMXHXJWIC-UHFFFAOYSA-N 1 2 387.549 4.180 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](CC(C)(C)O)C2CC2)cs1)c1ccc(C)c(C)c1 ZINC000189862295 823507380 /nfs/dbraw/zinc/50/73/80/823507380.db2.gz KBSAVUMXHXJWIC-UHFFFAOYSA-N 1 2 387.549 4.180 20 0 GIADLO CCOc1cc(Cl)ccc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177655748 823508316 /nfs/dbraw/zinc/50/83/16/823508316.db2.gz FVNJQEDIQDEUOE-UHFFFAOYSA-N 1 2 384.867 4.305 20 0 GIADLO C[C@H](Oc1ccccc1Cl)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000031890388 820870264 /nfs/dbraw/zinc/87/02/64/820870264.db2.gz GPFFSAWTABWFTI-ZDUSSCGKSA-N 1 2 379.913 4.188 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000177686945 823513526 /nfs/dbraw/zinc/51/35/26/823513526.db2.gz ZVYRQCNPULLFLW-UHFFFAOYSA-N 1 2 387.293 4.077 20 0 GIADLO Cc1nc(-c2cccs2)ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000032193552 820901400 /nfs/dbraw/zinc/90/14/00/820901400.db2.gz KVQQVJRTGSJTTM-UHFFFAOYSA-N 1 2 377.513 4.077 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1(c2ccccc2F)CCCC1 ZINC000032313674 820913494 /nfs/dbraw/zinc/91/34/94/820913494.db2.gz YNDRVHYAPNGKNQ-UHFFFAOYSA-N 1 2 377.463 4.199 20 0 GIADLO CCC(CC)[C@H](C(=O)Nc1ccc(-c2csc(C)n2)cc1)[NH+]1CCOCC1 ZINC000460807845 823517939 /nfs/dbraw/zinc/51/79/39/823517939.db2.gz VHSQYNYMIQFWKU-HXUWFJFHSA-N 1 2 387.549 4.194 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(-c2cccc(Cl)c2)no1 ZINC000060322128 823515439 /nfs/dbraw/zinc/51/54/39/823515439.db2.gz JCVMSAJAMGKJEF-UHFFFAOYSA-N 1 2 378.819 4.111 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1(c2ccc(F)cc2F)CCCC1 ZINC000123511559 823516181 /nfs/dbraw/zinc/51/61/81/823516181.db2.gz LUUAVYWKKQWIAS-UHFFFAOYSA-N 1 2 395.453 4.338 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCc2cc(Cl)cc(Cl)c2)c1C ZINC000060563131 823542572 /nfs/dbraw/zinc/54/25/72/823542572.db2.gz PAEMIEJVQCSMRT-UHFFFAOYSA-N 1 2 396.318 4.398 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(Cl)c1 ZINC000177727319 823517413 /nfs/dbraw/zinc/51/74/13/823517413.db2.gz NSBUEUFWGBSLEG-PWECECGKSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(Cl)c1 ZINC000177727319 823517415 /nfs/dbraw/zinc/51/74/15/823517415.db2.gz NSBUEUFWGBSLEG-PWECECGKSA-N 1 2 378.925 4.017 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000032832229 821012194 /nfs/dbraw/zinc/01/21/94/821012194.db2.gz JVOWYQCVTDDWPS-UHFFFAOYSA-N 1 2 386.801 4.438 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000032832229 821012204 /nfs/dbraw/zinc/01/22/04/821012204.db2.gz JVOWYQCVTDDWPS-UHFFFAOYSA-N 1 2 386.801 4.438 20 0 GIADLO COc1cccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1OC(F)F ZINC000190024613 823527754 /nfs/dbraw/zinc/52/77/54/823527754.db2.gz VKJLLQJCLORPHO-UHFFFAOYSA-N 1 2 399.384 4.058 20 0 GIADLO Ic1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000035040561 821063681 /nfs/dbraw/zinc/06/36/81/821063681.db2.gz PGPWRRATMBILNW-UHFFFAOYSA-N 1 2 375.213 4.089 20 0 GIADLO CCOc1ccc(-c2nc(CSc3nc(N)cc(C)[nH+]3)cs2)cc1OC ZINC000036775230 821082401 /nfs/dbraw/zinc/08/24/01/821082401.db2.gz XSZHLXWKZSUGLG-UHFFFAOYSA-N 1 2 388.518 4.190 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037127835 821090657 /nfs/dbraw/zinc/09/06/57/821090657.db2.gz SHIBHDOOSYOGLU-HOTGVXAUSA-N 1 2 385.895 4.018 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037127835 821090666 /nfs/dbraw/zinc/09/06/66/821090666.db2.gz SHIBHDOOSYOGLU-HOTGVXAUSA-N 1 2 385.895 4.018 20 0 GIADLO O=C(C[N@@H+]1CCc2ccccc2C1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000038415291 821096169 /nfs/dbraw/zinc/09/61/69/821096169.db2.gz IMFYGZIPXVUFQZ-QFIPXVFZSA-N 1 2 380.488 4.151 20 0 GIADLO O=C(C[N@H+]1CCc2ccccc2C1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000038415291 821096178 /nfs/dbraw/zinc/09/61/78/821096178.db2.gz IMFYGZIPXVUFQZ-QFIPXVFZSA-N 1 2 380.488 4.151 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1csc(-c2cccc(Cl)c2)n1 ZINC000060426421 823525989 /nfs/dbraw/zinc/52/59/89/823525989.db2.gz LBVMCFZZXPMJOY-UHFFFAOYSA-N 1 2 398.919 4.257 20 0 GIADLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000060465628 823531313 /nfs/dbraw/zinc/53/13/13/823531313.db2.gz RQYLLUVCVBWGQB-HXUWFJFHSA-N 1 2 377.492 4.015 20 0 GIADLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000060465628 823531316 /nfs/dbraw/zinc/53/13/16/823531316.db2.gz RQYLLUVCVBWGQB-HXUWFJFHSA-N 1 2 377.492 4.015 20 0 GIADLO O=C(c1occc1Br)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000177828523 823532233 /nfs/dbraw/zinc/53/22/33/823532233.db2.gz ICCJCCDWSVAHRG-UHFFFAOYSA-N 1 2 397.700 4.044 20 0 GIADLO O=C(c1occc1Br)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000177828523 823532239 /nfs/dbraw/zinc/53/22/39/823532239.db2.gz ICCJCCDWSVAHRG-UHFFFAOYSA-N 1 2 397.700 4.044 20 0 GIADLO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc(=O)c2ccccc2o1 ZINC000041400475 821188841 /nfs/dbraw/zinc/18/88/41/821188841.db2.gz JGZAFZVGDPEVBS-SFHVURJKSA-N 1 2 396.874 4.013 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000123744699 823536790 /nfs/dbraw/zinc/53/67/90/823536790.db2.gz FXKJIQKLCGAIHA-PKTZIBPZSA-N 1 2 388.515 4.142 20 0 GIADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]Cc1cccc2c1OCO2 ZINC000060527116 823538561 /nfs/dbraw/zinc/53/85/61/823538561.db2.gz ZPPRAMVEAIZOQT-UHFFFAOYSA-N 1 2 383.879 4.469 20 0 GIADLO S=c1[nH]c(-c2cc(Cl)ccc2Cl)nn1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000123793090 823541269 /nfs/dbraw/zinc/54/12/69/823541269.db2.gz FSISBGUFORJLIF-LLVKDONJSA-N 1 2 399.347 4.373 20 0 GIADLO S=c1[nH]c(-c2cc(Cl)ccc2Cl)nn1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000123793090 823541273 /nfs/dbraw/zinc/54/12/73/823541273.db2.gz FSISBGUFORJLIF-LLVKDONJSA-N 1 2 399.347 4.373 20 0 GIADLO C[C@@H](Sc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042101299 821265547 /nfs/dbraw/zinc/26/55/47/821265547.db2.gz IJRUXCXZMBQFEC-QGZVFWFLSA-N 1 2 377.513 4.064 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000042861478 821340019 /nfs/dbraw/zinc/34/00/19/821340019.db2.gz GOFUCEFMSHLVOW-HOTGVXAUSA-N 1 2 387.911 4.271 20 0 GIADLO COc1ncccc1C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000042226288 821287969 /nfs/dbraw/zinc/28/79/69/821287969.db2.gz GQHWNBMQMRTWAY-UHFFFAOYSA-N 1 2 391.302 4.240 20 0 GIADLO O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000042880368 821341021 /nfs/dbraw/zinc/34/10/21/821341021.db2.gz CNDJXGLINWUALV-UHFFFAOYSA-N 1 2 391.406 4.023 20 0 GIADLO CSc1cccc(NC(=O)[C@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000042287426 821295463 /nfs/dbraw/zinc/29/54/63/821295463.db2.gz XBQVSZPLMJXLIJ-VQFGERMISA-N 1 2 395.572 4.067 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000042287463 821295559 /nfs/dbraw/zinc/29/55/59/821295559.db2.gz DQZSISHWQNBONV-AIADIJKESA-N 1 2 397.950 4.306 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccccc3OC(F)(F)F)cn2c1 ZINC000042404510 821307027 /nfs/dbraw/zinc/30/70/27/821307027.db2.gz WCQJOLMHZOXWRP-UHFFFAOYSA-N 1 2 395.406 4.413 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000042534483 821309884 /nfs/dbraw/zinc/30/98/84/821309884.db2.gz UMRGWOFVGUEQIY-KXMPLOMGSA-N 1 2 391.315 4.139 20 0 GIADLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)c(C)c1 ZINC000042632308 821316401 /nfs/dbraw/zinc/31/64/01/821316401.db2.gz NQOKTVWJBYYZTF-UTKZUKDTSA-N 1 2 391.471 4.312 20 0 GIADLO Cc1ccc(OC2CC[NH+](CCCS(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000180657924 821385249 /nfs/dbraw/zinc/38/52/49/821385249.db2.gz MLDKODQYLFRNFB-UHFFFAOYSA-N 1 2 387.545 4.011 20 0 GIADLO CC(C)(C)C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)F ZINC000180672104 821390508 /nfs/dbraw/zinc/39/05/08/821390508.db2.gz PZPZPTUCGRWUIS-INIZCTEOSA-N 1 2 382.430 4.098 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)nc(C(C)C)[nH+]1 ZINC000043357276 821397268 /nfs/dbraw/zinc/39/72/68/821397268.db2.gz NENHQBYKOMWYNB-UHFFFAOYSA-N 1 2 387.915 4.224 20 0 GIADLO CCCOc1ccccc1NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000043452516 821409498 /nfs/dbraw/zinc/40/94/98/821409498.db2.gz AUISURSWALUAHM-UHFFFAOYSA-N 1 2 397.523 4.051 20 0 GIADLO COCCCOCC[N@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000180718192 821415522 /nfs/dbraw/zinc/41/55/22/821415522.db2.gz GLLGPSFMMHIIMN-UHFFFAOYSA-N 1 2 399.354 4.058 20 0 GIADLO COCCCOCC[N@@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000180718192 821415527 /nfs/dbraw/zinc/41/55/27/821415527.db2.gz GLLGPSFMMHIIMN-UHFFFAOYSA-N 1 2 399.354 4.058 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CCSc2ccccc21 ZINC000043499862 821419394 /nfs/dbraw/zinc/41/93/94/821419394.db2.gz KJNDMBLXAZLUHX-INIZCTEOSA-N 1 2 388.562 4.488 20 0 GIADLO CCOc1ccc([C@@H](C)NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000043517032 821420635 /nfs/dbraw/zinc/42/06/35/821420635.db2.gz UMMIYHIVRWWJLN-OAHLLOKOSA-N 1 2 388.537 4.410 20 0 GIADLO COc1ccc([C@@H]2CCCN2C(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000043507959 821420823 /nfs/dbraw/zinc/42/08/23/821420823.db2.gz UOOIAUIDDQOWIC-FQEVSTJZSA-N 1 2 395.528 4.248 20 0 GIADLO CCOc1ccc(CN(C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000043517783 821421319 /nfs/dbraw/zinc/42/13/19/821421319.db2.gz OTGMMBSWCSLKSN-UHFFFAOYSA-N 1 2 388.537 4.192 20 0 GIADLO COc1ccc([C@@H](C)NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1F ZINC000043521635 821421916 /nfs/dbraw/zinc/42/19/16/821421916.db2.gz XLQRWFCBJANXIE-CYBMUJFWSA-N 1 2 392.500 4.159 20 0 GIADLO C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1nc2ccccc2[nH]1 ZINC000043547060 821424627 /nfs/dbraw/zinc/42/46/27/821424627.db2.gz KZMUMBYTOINNHW-KGLIPLIRSA-N 1 2 398.536 4.134 20 0 GIADLO C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1nc2ccccc2[nH]1 ZINC000043547060 821424633 /nfs/dbraw/zinc/42/46/33/821424633.db2.gz KZMUMBYTOINNHW-KGLIPLIRSA-N 1 2 398.536 4.134 20 0 GIADLO Cn1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c(-c2ccccc2)n1 ZINC000180770532 821445262 /nfs/dbraw/zinc/44/52/62/821445262.db2.gz XHUQLHFSOCSKNQ-UHFFFAOYSA-N 1 2 377.835 4.179 20 0 GIADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC000180775034 821448542 /nfs/dbraw/zinc/44/85/42/821448542.db2.gz KPDDTVZFUYVSPI-LJQANCHMSA-N 1 2 381.394 4.296 20 0 GIADLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC000180775034 821448546 /nfs/dbraw/zinc/44/85/46/821448546.db2.gz KPDDTVZFUYVSPI-LJQANCHMSA-N 1 2 381.394 4.296 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000043752701 821453004 /nfs/dbraw/zinc/45/30/04/821453004.db2.gz CJWBPIBXWDPCBF-UHFFFAOYSA-N 1 2 388.496 4.027 20 0 GIADLO O=C(CC12CC3CC(CC(C3)C1)C2)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043752722 821453142 /nfs/dbraw/zinc/45/31/42/821453142.db2.gz JHJQRCRAHAFJDB-UHFFFAOYSA-N 1 2 377.532 4.197 20 0 GIADLO CCCCn1c(SCc2nc(-c3ccco3)no2)nnc1[C@@H](CC)[NH+](C)C ZINC000044089237 821520532 /nfs/dbraw/zinc/52/05/32/821520532.db2.gz YFHXHNSNFOCLNK-CYBMUJFWSA-N 1 2 390.513 4.026 20 0 GIADLO Cc1oc2nc(C[NH2+][C@@H](C)c3ccc(OCC(F)(F)F)cc3)nc(N)c2c1C ZINC000180943796 821550116 /nfs/dbraw/zinc/55/01/16/821550116.db2.gz AQHSIBDKNBFRBD-NSHDSACASA-N 1 2 394.397 4.214 20 0 GIADLO Cc1c([C@@H](C)[NH2+]Cc2ccccc2OC2CCC2)nnn1-c1ccc(F)cc1 ZINC000180973238 821566125 /nfs/dbraw/zinc/56/61/25/821566125.db2.gz NAFBUBCQZIPLKR-OAHLLOKOSA-N 1 2 380.467 4.497 20 0 GIADLO O=C(Nc1cccc(OCC(F)(F)F)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000044310222 821566978 /nfs/dbraw/zinc/56/69/78/821566978.db2.gz UKVBIBMPHZNYEU-UHFFFAOYSA-N 1 2 399.438 4.039 20 0 GIADLO CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000181040805 821607740 /nfs/dbraw/zinc/60/77/40/821607740.db2.gz UZYIQCDOSMAFGC-IIBYNOLFSA-N 1 2 386.455 4.347 20 0 GIADLO CC(C)(C)[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc(F)c1 ZINC000181073511 821619165 /nfs/dbraw/zinc/61/91/65/821619165.db2.gz SJTPIRDEWHVYQA-LJQANCHMSA-N 1 2 383.423 4.481 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)c2sc(C)nc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181103976 821634635 /nfs/dbraw/zinc/63/46/35/821634635.db2.gz NJAZZIJHZLKSPO-HOTGVXAUSA-N 1 2 381.904 4.118 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)c2sc(C)nc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181103976 821634640 /nfs/dbraw/zinc/63/46/40/821634640.db2.gz NJAZZIJHZLKSPO-HOTGVXAUSA-N 1 2 381.904 4.118 20 0 GIADLO CCO[C@H](C)c1noc(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)n1 ZINC000181136580 821655740 /nfs/dbraw/zinc/65/57/40/821655740.db2.gz FHYHSNYPFUZPIJ-FOIQADDNSA-N 1 2 399.466 4.388 20 0 GIADLO CCO[C@@H](C)c1noc(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)n1 ZINC000181136563 821656034 /nfs/dbraw/zinc/65/60/34/821656034.db2.gz FHYHSNYPFUZPIJ-MGPUTAFESA-N 1 2 399.466 4.388 20 0 GIADLO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2nc(CC(C)C)no2)cc1 ZINC000181137261 821656580 /nfs/dbraw/zinc/65/65/80/821656580.db2.gz DYEAEFSZOJANBT-FQEVSTJZSA-N 1 2 383.467 4.489 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)cc1 ZINC000044918757 821681026 /nfs/dbraw/zinc/68/10/26/821681026.db2.gz WPUKDFXYXWRYHN-RTBURBONSA-N 1 2 398.469 4.098 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181191421 821686946 /nfs/dbraw/zinc/68/69/46/821686946.db2.gz QXUHINDSGDYXLT-NQIIRXRSSA-N 1 2 377.488 4.226 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000181191443 821687038 /nfs/dbraw/zinc/68/70/38/821687038.db2.gz QXUHINDSGDYXLT-WIYYLYMNSA-N 1 2 377.488 4.226 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3C)no2)cc1OC ZINC000045004384 821689095 /nfs/dbraw/zinc/68/90/95/821689095.db2.gz KPXFSCZLGJKFOO-GOSISDBHSA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3C)no2)cc1OC ZINC000045004384 821689101 /nfs/dbraw/zinc/68/91/01/821689101.db2.gz KPXFSCZLGJKFOO-GOSISDBHSA-N 1 2 379.460 4.399 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000181275733 821729171 /nfs/dbraw/zinc/72/91/71/821729171.db2.gz CIAVZZGUEAIVOE-PBHICJAKSA-N 1 2 386.776 4.072 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000181275733 821729177 /nfs/dbraw/zinc/72/91/77/821729177.db2.gz CIAVZZGUEAIVOE-PBHICJAKSA-N 1 2 386.776 4.072 20 0 GIADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(-c3ccc(Br)cc3)[nH]1)CC2 ZINC000181277900 821730788 /nfs/dbraw/zinc/73/07/88/821730788.db2.gz QAHKEVPNXXSSRM-INIZCTEOSA-N 1 2 387.256 4.150 20 0 GIADLO CCO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cs1 ZINC000181284003 821734303 /nfs/dbraw/zinc/73/43/03/821734303.db2.gz YAGPCZSEZOGGER-KGLIPLIRSA-N 1 2 375.494 4.048 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccs2)no1)c1ccc(N2CCOC2=O)cc1 ZINC000181287410 821736254 /nfs/dbraw/zinc/73/62/54/821736254.db2.gz FHBBEJRQGRASMB-OLZOCXBDSA-N 1 2 384.461 4.167 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1nc(-c2ccccc2)no1 ZINC000181298336 821742750 /nfs/dbraw/zinc/74/27/50/821742750.db2.gz NASPMXXHLFLKLH-GJZGRUSLSA-N 1 2 378.432 4.105 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ncccc3C(F)(F)F)n2)C1 ZINC000181322352 821758336 /nfs/dbraw/zinc/75/83/36/821758336.db2.gz NZNXIOMOJZIYCJ-LLVKDONJSA-N 1 2 384.427 4.041 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ncccc3C(F)(F)F)n2)C1 ZINC000181322352 821758344 /nfs/dbraw/zinc/75/83/44/821758344.db2.gz NZNXIOMOJZIYCJ-LLVKDONJSA-N 1 2 384.427 4.041 20 0 GIADLO COc1cc(OC)c([C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1Cl ZINC000181337208 821768381 /nfs/dbraw/zinc/76/83/81/821768381.db2.gz AOCZENFJJCRJBV-ZIAGYGMSSA-N 1 2 386.883 4.350 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(N2CCCC2=O)c1 ZINC000181400193 821807001 /nfs/dbraw/zinc/80/70/01/821807001.db2.gz JQCXACGXLFWJDB-CQSZACIVSA-N 1 2 396.878 4.368 20 0 GIADLO Nc1nc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)nc2ccccc12 ZINC000181423000 821818897 /nfs/dbraw/zinc/81/88/97/821818897.db2.gz NBNQGGCLWYNWSA-FQEVSTJZSA-N 1 2 390.512 4.009 20 0 GIADLO Nc1nc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)nc2ccccc12 ZINC000181423000 821818907 /nfs/dbraw/zinc/81/89/07/821818907.db2.gz NBNQGGCLWYNWSA-FQEVSTJZSA-N 1 2 390.512 4.009 20 0 GIADLO CC[C@H]([NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1ccc(C)cc1 ZINC000181700167 821949180 /nfs/dbraw/zinc/94/91/80/821949180.db2.gz KNVJKRBRTNCHIA-INIZCTEOSA-N 1 2 388.512 4.379 20 0 GIADLO CC[C@@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(C)cc2)s1)c1ccc(C)cc1 ZINC000181701732 821950147 /nfs/dbraw/zinc/95/01/47/821950147.db2.gz MKJFOWKLRSBKHS-LJQANCHMSA-N 1 2 394.544 4.326 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2nnc(C3CCC3)n2C)ccc1OCCC(C)C ZINC000181713294 821956445 /nfs/dbraw/zinc/95/64/45/821956445.db2.gz NRJODAJYITXMMK-INIZCTEOSA-N 1 2 386.540 4.367 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000181902242 822032151 /nfs/dbraw/zinc/03/21/51/822032151.db2.gz HTEUBMZAESETJK-UHFFFAOYSA-N 1 2 398.507 4.186 20 0 GIADLO CCS[C@@H](C)c1noc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000181974526 822049599 /nfs/dbraw/zinc/04/95/99/822049599.db2.gz ZFXXJXAAODBMEF-SCLBCKFNSA-N 1 2 377.510 4.142 20 0 GIADLO COc1cc(N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1N1CCCC1=O ZINC000181983182 822052587 /nfs/dbraw/zinc/05/25/87/822052587.db2.gz QNEHFZGBUPPUIC-MRXNPFEDSA-N 1 2 376.460 4.181 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1cccc(F)c1F ZINC000181983735 822053352 /nfs/dbraw/zinc/05/33/52/822053352.db2.gz WYBPFMHZRYUQGE-DYVFJYSZSA-N 1 2 399.397 4.179 20 0 GIADLO CC(C)[C@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000181989062 822055018 /nfs/dbraw/zinc/05/50/18/822055018.db2.gz SVXHGBWAZJIVBV-QHCPKHFHSA-N 1 2 393.487 4.113 20 0 GIADLO CC(C)c1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(-n4ccnn4)cc3)n2)cc1 ZINC000182003936 822059362 /nfs/dbraw/zinc/05/93/62/822059362.db2.gz IBINMRCQTJZHIV-INIZCTEOSA-N 1 2 388.475 4.292 20 0 GIADLO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2csc(CS(C)(=O)=O)n2)cc1 ZINC000182098396 822093002 /nfs/dbraw/zinc/09/30/02/822093002.db2.gz RJQGKHJZLSEEFC-ZDUSSCGKSA-N 1 2 384.592 4.039 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)s2)cc1 ZINC000182419132 822235603 /nfs/dbraw/zinc/23/56/03/822235603.db2.gz KKURVMVJAYIUBH-QGZVFWFLSA-N 1 2 378.501 4.088 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3CC[C@@H](c4ccccc4)C3)s2)cc1 ZINC000182419132 822235610 /nfs/dbraw/zinc/23/56/10/822235610.db2.gz KKURVMVJAYIUBH-QGZVFWFLSA-N 1 2 378.501 4.088 20 0 GIADLO CC[N@H+](Cc1nc(COC)no1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000182463647 822252797 /nfs/dbraw/zinc/25/27/97/822252797.db2.gz YNPQIWVRBJVABI-MRXNPFEDSA-N 1 2 381.476 4.475 20 0 GIADLO CC[N@@H+](Cc1nc(COC)no1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000182463647 822252807 /nfs/dbraw/zinc/25/28/07/822252807.db2.gz YNPQIWVRBJVABI-MRXNPFEDSA-N 1 2 381.476 4.475 20 0 GIADLO CCOc1ccccc1NC(=O)CC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000177967622 822261412 /nfs/dbraw/zinc/26/14/12/822261412.db2.gz IKNWCCSMUNJOFM-UHFFFAOYSA-N 1 2 381.451 4.093 20 0 GIADLO CCOc1ccccc1NC(=O)CC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000177967622 822261417 /nfs/dbraw/zinc/26/14/17/822261417.db2.gz IKNWCCSMUNJOFM-UHFFFAOYSA-N 1 2 381.451 4.093 20 0 GIADLO COc1ccccc1-c1nnc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)o1 ZINC000182512908 822276274 /nfs/dbraw/zinc/27/62/74/822276274.db2.gz MVLZPXRMHDWKNP-LBPRGKRZSA-N 1 2 393.365 4.495 20 0 GIADLO CC(=O)c1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000182524633 822282749 /nfs/dbraw/zinc/28/27/49/822282749.db2.gz KVXOPIOEIHWVAE-UHFFFAOYSA-N 1 2 382.851 4.109 20 0 GIADLO COC(=O)c1sc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)nc1C1CCCC1 ZINC000182531288 822285613 /nfs/dbraw/zinc/28/56/13/822285613.db2.gz MPRPJRLBOSOBDT-UHFFFAOYSA-N 1 2 396.472 4.025 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000178085864 822313738 /nfs/dbraw/zinc/31/37/38/822313738.db2.gz ISCVPQKKCVCEIG-UHFFFAOYSA-N 1 2 392.528 4.425 20 0 GIADLO CC(C)OCCCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000182609717 822321152 /nfs/dbraw/zinc/32/11/52/822321152.db2.gz HNCOSRSDRREOJP-UHFFFAOYSA-N 1 2 391.515 4.420 20 0 GIADLO COc1ccc([C@H]([NH2+][C@H](C)c2ccoc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000178123793 822326784 /nfs/dbraw/zinc/32/67/84/822326784.db2.gz KGUFMSHOCBGNDT-VFNWGFHPSA-N 1 2 385.485 4.132 20 0 GIADLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)c1cc2ccccc2o1 ZINC000182628777 822329939 /nfs/dbraw/zinc/32/99/39/822329939.db2.gz AGPVSBDJIZXZDF-GFCCVEGCSA-N 1 2 398.264 4.022 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cncc(-c3cccc(C)c3)c2)c1C ZINC000178206106 822352118 /nfs/dbraw/zinc/35/21/18/822352118.db2.gz XIAJRYQRWKCQKQ-UHFFFAOYSA-N 1 2 375.472 4.350 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)c2sccc2COC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000182791259 822368044 /nfs/dbraw/zinc/36/80/44/822368044.db2.gz GBKSMGDAMRQYDK-IRXDYDNUSA-N 1 2 396.915 4.252 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)c2sccc2COC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000182791259 822368049 /nfs/dbraw/zinc/36/80/49/822368049.db2.gz GBKSMGDAMRQYDK-IRXDYDNUSA-N 1 2 396.915 4.252 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3csc(-c4ccccn4)n3)C2)n1 ZINC000182804073 822370262 /nfs/dbraw/zinc/37/02/62/822370262.db2.gz OELHSZPSDOCAKD-AWEZNQCLSA-N 1 2 393.438 4.258 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)n1 ZINC000182804073 822370267 /nfs/dbraw/zinc/37/02/67/822370267.db2.gz OELHSZPSDOCAKD-AWEZNQCLSA-N 1 2 393.438 4.258 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)n1 ZINC000182845105 822377456 /nfs/dbraw/zinc/37/74/56/822377456.db2.gz VOXXPLFQIQAGGL-CQSZACIVSA-N 1 2 382.411 4.456 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)n1 ZINC000182845105 822377460 /nfs/dbraw/zinc/37/74/60/822377460.db2.gz VOXXPLFQIQAGGL-CQSZACIVSA-N 1 2 382.411 4.456 20 0 GIADLO CC[N@H+](C)[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 ZINC000182853656 822379321 /nfs/dbraw/zinc/37/93/21/822379321.db2.gz LYVDOISWKFDPMQ-CRAIPNDOSA-N 1 2 382.414 4.301 20 0 GIADLO CC[N@@H+](C)[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 ZINC000182853656 822379326 /nfs/dbraw/zinc/37/93/26/822379326.db2.gz LYVDOISWKFDPMQ-CRAIPNDOSA-N 1 2 382.414 4.301 20 0 GIADLO CC[C@H](C)[C@H]([NH2+]Cc1nc(C)c(C)o1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000182865967 822381948 /nfs/dbraw/zinc/38/19/48/822381948.db2.gz CKEFHDNWWDVOGL-SBUREZEXSA-N 1 2 397.563 4.277 20 0 GIADLO COc1cc(OC)c(C[NH2+]Cc2sc(C)cc2Br)c(OC)c1 ZINC000453589841 822389689 /nfs/dbraw/zinc/38/96/89/822389689.db2.gz OBXDOJZTFZZGDN-UHFFFAOYSA-N 1 2 386.311 4.135 20 0 GIADLO CC(C)[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1F ZINC000182908697 822390684 /nfs/dbraw/zinc/39/06/84/822390684.db2.gz XOOLOIHYMCMPSQ-SFHVURJKSA-N 1 2 378.879 4.419 20 0 GIADLO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000182912541 822391623 /nfs/dbraw/zinc/39/16/23/822391623.db2.gz FGXCRDPHVKPQQW-MRXNPFEDSA-N 1 2 391.450 4.497 20 0 GIADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)o1 ZINC000453616135 822393736 /nfs/dbraw/zinc/39/37/36/822393736.db2.gz RZFDGHALDCLFTL-INIZCTEOSA-N 1 2 387.281 4.473 20 0 GIADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)o1 ZINC000453616135 822393740 /nfs/dbraw/zinc/39/37/40/822393740.db2.gz RZFDGHALDCLFTL-INIZCTEOSA-N 1 2 387.281 4.473 20 0 GIADLO COc1ccc([C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C(C)C)cc1 ZINC000045606123 822399583 /nfs/dbraw/zinc/39/95/83/822399583.db2.gz GBXZETYTHUAELA-QFIPXVFZSA-N 1 2 392.503 4.137 20 0 GIADLO O=C(Nc1cccc(OCc2ccccn2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045735976 822409465 /nfs/dbraw/zinc/40/94/65/822409465.db2.gz AFWSOHQRJCSAEU-UHFFFAOYSA-N 1 2 384.439 4.158 20 0 GIADLO O=C(NCc1ccc(COc2ccccc2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045756821 822410801 /nfs/dbraw/zinc/41/08/01/822410801.db2.gz VONHCZZFMCWDRU-UHFFFAOYSA-N 1 2 397.478 4.440 20 0 GIADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178795786 822410863 /nfs/dbraw/zinc/41/08/63/822410863.db2.gz RDYVJZGJJFIZSZ-VDBVYFBLSA-N 1 2 399.343 4.190 20 0 GIADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178795786 822410866 /nfs/dbraw/zinc/41/08/66/822410866.db2.gz RDYVJZGJJFIZSZ-VDBVYFBLSA-N 1 2 399.343 4.190 20 0 GIADLO CC(C)[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(Cl)c(Cl)c1 ZINC000183011196 822411134 /nfs/dbraw/zinc/41/11/34/822411134.db2.gz DWYFRALYUCIQIO-UHFFFAOYSA-N 1 2 390.318 4.439 20 0 GIADLO CC(C)[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(Cl)c(Cl)c1 ZINC000183011196 822411135 /nfs/dbraw/zinc/41/11/35/822411135.db2.gz DWYFRALYUCIQIO-UHFFFAOYSA-N 1 2 390.318 4.439 20 0 GIADLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178804802 822412253 /nfs/dbraw/zinc/41/22/53/822412253.db2.gz AVRGDOZOAJXHIM-OQRWROFFSA-N 1 2 380.513 4.036 20 0 GIADLO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178804802 822412254 /nfs/dbraw/zinc/41/22/54/822412254.db2.gz AVRGDOZOAJXHIM-OQRWROFFSA-N 1 2 380.513 4.036 20 0 GIADLO CN(Cc1cc(Br)cs1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045793050 822414162 /nfs/dbraw/zinc/41/41/62/822414162.db2.gz XGNNRWNQCKLLEF-UHFFFAOYSA-N 1 2 390.306 4.028 20 0 GIADLO CCn1c(=S)n(C[N@H+](C)[C@@H]2CCCc3ccccc32)nc1-c1ccncc1 ZINC000045809189 822415210 /nfs/dbraw/zinc/41/52/10/822415210.db2.gz CWTHZMRHRVTAOX-LJQANCHMSA-N 1 2 379.533 4.463 20 0 GIADLO CCn1c(=S)n(C[N@@H+](C)[C@@H]2CCCc3ccccc32)nc1-c1ccncc1 ZINC000045809189 822415213 /nfs/dbraw/zinc/41/52/13/822415213.db2.gz CWTHZMRHRVTAOX-LJQANCHMSA-N 1 2 379.533 4.463 20 0 GIADLO CCn1c(=S)n(C[N@H+](C)[C@H]2CCCc3ccccc32)nc1-c1ccncc1 ZINC000045809193 822415228 /nfs/dbraw/zinc/41/52/28/822415228.db2.gz CWTHZMRHRVTAOX-IBGZPJMESA-N 1 2 379.533 4.463 20 0 GIADLO CCn1c(=S)n(C[N@@H+](C)[C@H]2CCCc3ccccc32)nc1-c1ccncc1 ZINC000045809193 822415230 /nfs/dbraw/zinc/41/52/30/822415230.db2.gz CWTHZMRHRVTAOX-IBGZPJMESA-N 1 2 379.533 4.463 20 0 GIADLO CCC[C@H](NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(C)(C)C ZINC000453878996 822418074 /nfs/dbraw/zinc/41/80/74/822418074.db2.gz KBNSPIMWLBDGCF-IBGZPJMESA-N 1 2 396.535 4.156 20 0 GIADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1csc(COc2ccc(F)cc2)n1 ZINC000045861016 822419607 /nfs/dbraw/zinc/41/96/07/822419607.db2.gz WLNORASLKDLSIO-UHFFFAOYSA-N 1 2 394.431 4.299 20 0 GIADLO CCCCOc1cccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000045884654 822421737 /nfs/dbraw/zinc/42/17/37/822421737.db2.gz QEWUQRIDQWCRCX-UHFFFAOYSA-N 1 2 392.503 4.110 20 0 GIADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000183115701 822426468 /nfs/dbraw/zinc/42/64/68/822426468.db2.gz NQXMDEBFMCXCKQ-AFMDSPMNSA-N 1 2 387.936 4.044 20 0 GIADLO COc1cccc(-c2nc(C[NH2+][C@H](C[S@](C)=O)c3ccccc3)cs2)c1 ZINC000183117615 822426614 /nfs/dbraw/zinc/42/66/14/822426614.db2.gz SHWHGAQUNDIVHK-BCHFMIIMSA-N 1 2 386.542 4.028 20 0 GIADLO COc1cccc(-c2nc(C[NH2+][C@@H](C[S@@](C)=O)c3ccccc3)cs2)c1 ZINC000183117632 822426767 /nfs/dbraw/zinc/42/67/67/822426767.db2.gz SHWHGAQUNDIVHK-AFMDSPMNSA-N 1 2 386.542 4.028 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cnn(-c3ccccc3F)c2C)c1C ZINC000178992200 822427144 /nfs/dbraw/zinc/42/71/44/822427144.db2.gz BZDXQMIPHUEOGU-UHFFFAOYSA-N 1 2 397.454 4.004 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000179000039 822428117 /nfs/dbraw/zinc/42/81/17/822428117.db2.gz QFOLMLIZACLFPM-DHIUTWEWSA-N 1 2 389.499 4.381 20 0 GIADLO CCc1nn(C)c(CC)c1C[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000179009192 822429410 /nfs/dbraw/zinc/42/94/10/822429410.db2.gz BHQXXWGBOYBVNP-UHFFFAOYSA-N 1 2 384.549 4.179 20 0 GIADLO O=C(Nc1ccc(OC2CCCC2)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046008789 822434261 /nfs/dbraw/zinc/43/42/61/822434261.db2.gz ILALSZBTLPTOFZ-UHFFFAOYSA-N 1 2 380.492 4.194 20 0 GIADLO CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019768 822435653 /nfs/dbraw/zinc/43/56/53/822435653.db2.gz VBSSBDYDAJTHSE-UHFFFAOYSA-N 1 2 388.924 4.378 20 0 GIADLO CC(C)c1cccc(O[C@H](C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000046099459 822441065 /nfs/dbraw/zinc/44/10/65/822441065.db2.gz QUQQYYRNYYMBRX-GOSISDBHSA-N 1 2 377.488 4.139 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1csc(COc2ccc(F)cc2)n1 ZINC000046105965 822441487 /nfs/dbraw/zinc/44/14/87/822441487.db2.gz SFMFQEUJMOWJNF-UHFFFAOYSA-N 1 2 394.431 4.299 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)C1 ZINC000179184054 822448030 /nfs/dbraw/zinc/44/80/30/822448030.db2.gz UFBUVWABXDEMHF-MRXNPFEDSA-N 1 2 394.906 4.230 20 0 GIADLO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C)c2ncc(Br)s2)cc1 ZINC000179199611 822449745 /nfs/dbraw/zinc/44/97/45/822449745.db2.gz GTYHCMLLAAHPPR-LBPRGKRZSA-N 1 2 396.354 4.238 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ncc(Br)s1 ZINC000179213973 822452166 /nfs/dbraw/zinc/45/21/66/822452166.db2.gz FKAUGPOUBVOSFZ-VXGBXAGGSA-N 1 2 394.338 4.444 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CSc2ccc(F)cc2)C[C@H](C)O1 ZINC000046340917 822462920 /nfs/dbraw/zinc/46/29/20/822462920.db2.gz GFGYJSNNZZVXIH-IYBDPMFKSA-N 1 2 388.508 4.166 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CSc2ccc(F)cc2)C[C@H](C)O1 ZINC000046340917 822462922 /nfs/dbraw/zinc/46/29/22/822462922.db2.gz GFGYJSNNZZVXIH-IYBDPMFKSA-N 1 2 388.508 4.166 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccccc2OC(F)F)C[C@H](C)O1 ZINC000046340911 822463018 /nfs/dbraw/zinc/46/30/18/822463018.db2.gz DNICCIDHCDOTGL-GASCZTMLSA-N 1 2 390.430 4.150 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccccc2OC(F)F)C[C@H](C)O1 ZINC000046340911 822463021 /nfs/dbraw/zinc/46/30/21/822463021.db2.gz DNICCIDHCDOTGL-GASCZTMLSA-N 1 2 390.430 4.150 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000046342063 822463533 /nfs/dbraw/zinc/46/35/33/822463533.db2.gz BLJXDIOLIZXWOM-GASCZTMLSA-N 1 2 390.886 4.270 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000046342063 822463535 /nfs/dbraw/zinc/46/35/35/822463535.db2.gz BLJXDIOLIZXWOM-GASCZTMLSA-N 1 2 390.886 4.270 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(F)c(F)cc2Cl)C[C@@H](C)O1 ZINC000046343745 822463885 /nfs/dbraw/zinc/46/38/85/822463885.db2.gz RXSAAFZQIBKDJI-CHWSQXEVSA-N 1 2 394.849 4.480 20 0 GIADLO CC(C)OCc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000046344141 822463908 /nfs/dbraw/zinc/46/39/08/822463908.db2.gz VHYLDFMRSHDGSG-OALUTQOASA-N 1 2 396.531 4.473 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cnc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000046344730 822464113 /nfs/dbraw/zinc/46/41/13/822464113.db2.gz XHGSZBAOSPDBIF-CHWSQXEVSA-N 1 2 394.302 4.250 20 0 GIADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183435265 822474549 /nfs/dbraw/zinc/47/45/49/822474549.db2.gz FLSFNFMWKFVJRV-SFHVURJKSA-N 1 2 389.540 4.033 20 0 GIADLO Clc1ccc(-n2cc(C[NH2+]Cc3cnn(-c4ccccc4)c3)nn2)cc1Cl ZINC000183436434 822474698 /nfs/dbraw/zinc/47/46/98/822474698.db2.gz YNLZEKOOPUBARO-UHFFFAOYSA-N 1 2 399.285 4.050 20 0 GIADLO CSCCCCCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000183440686 822475363 /nfs/dbraw/zinc/47/53/63/822475363.db2.gz OUJRDVSEERFKSZ-HDICACEKSA-N 1 2 393.597 4.341 20 0 GIADLO CSCCCCCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000183440686 822475364 /nfs/dbraw/zinc/47/53/64/822475364.db2.gz OUJRDVSEERFKSZ-HDICACEKSA-N 1 2 393.597 4.341 20 0 GIADLO Cc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(Br)c1 ZINC000046469445 822476064 /nfs/dbraw/zinc/47/60/64/822476064.db2.gz ICNJIPCQHVLQSI-HNNXBMFYSA-N 1 2 379.302 4.190 20 0 GIADLO CCOc1cc(C[N@@H+]2CCCO[C@H](C)C2)cc(Br)c1OC(F)F ZINC000179400260 822477271 /nfs/dbraw/zinc/47/72/71/822477271.db2.gz ZNJXXUKIIWXARQ-LLVKDONJSA-N 1 2 394.256 4.060 20 0 GIADLO CCOc1cc(C[N@H+]2CCCO[C@H](C)C2)cc(Br)c1OC(F)F ZINC000179400260 822477274 /nfs/dbraw/zinc/47/72/74/822477274.db2.gz ZNJXXUKIIWXARQ-LLVKDONJSA-N 1 2 394.256 4.060 20 0 GIADLO COc1ccc(NCc2cccc3[nH+]ccn32)cc1NC(=O)C1CCCCC1 ZINC000179430307 822481525 /nfs/dbraw/zinc/48/15/25/822481525.db2.gz DRTKPPHOOAAMAW-UHFFFAOYSA-N 1 2 378.476 4.474 20 0 GIADLO CC(C)c1cnc(C[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)s1 ZINC000183493523 822485281 /nfs/dbraw/zinc/48/52/81/822485281.db2.gz NBRGBDZKWABUNB-UHFFFAOYSA-N 1 2 383.517 4.409 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@H]2CCCCC2(F)F)C[C@@H](C)O1 ZINC000454514507 822488404 /nfs/dbraw/zinc/48/84/04/822488404.db2.gz RNKWLALCWCUSHB-JFIYKMOQSA-N 1 2 395.494 4.243 20 0 GIADLO Cc1cccc([C@H](C)NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000454518511 822489715 /nfs/dbraw/zinc/48/97/15/822489715.db2.gz WCBSGCJBWLDGTE-QRVBRYPASA-N 1 2 381.520 4.487 20 0 GIADLO O=C(Nc1ccc(COc2ccccc2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000179492928 822490445 /nfs/dbraw/zinc/49/04/45/822490445.db2.gz NAAYWZYLDOKQKI-UHFFFAOYSA-N 1 2 388.471 4.015 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)s1 ZINC000183583222 822497579 /nfs/dbraw/zinc/49/75/79/822497579.db2.gz ZXFOZRLLEMEYNY-UHFFFAOYSA-N 1 2 393.475 4.302 20 0 GIADLO CSc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000179543567 822500281 /nfs/dbraw/zinc/50/02/81/822500281.db2.gz JPBNRTNWXITHSS-ROUUACIJSA-N 1 2 377.460 4.254 20 0 GIADLO CSc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000179543567 822500284 /nfs/dbraw/zinc/50/02/84/822500284.db2.gz JPBNRTNWXITHSS-ROUUACIJSA-N 1 2 377.460 4.254 20 0 GIADLO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000183616362 822501652 /nfs/dbraw/zinc/50/16/52/822501652.db2.gz YQXJAABJNZQMTL-ZDUSSCGKSA-N 1 2 377.400 4.371 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(OC(F)F)c(F)c1 ZINC000179574421 822505715 /nfs/dbraw/zinc/50/57/15/822505715.db2.gz AXWUVUWIDKNVNM-UHFFFAOYSA-N 1 2 388.336 4.166 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(OC(F)F)c(F)c1 ZINC000179574421 822505716 /nfs/dbraw/zinc/50/57/16/822505716.db2.gz AXWUVUWIDKNVNM-UHFFFAOYSA-N 1 2 388.336 4.166 20 0 GIADLO CC(C)([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)c1cccc(F)c1 ZINC000179580620 822506520 /nfs/dbraw/zinc/50/65/20/822506520.db2.gz BWQUCMNWNZQATE-UHFFFAOYSA-N 1 2 380.217 4.256 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1 ZINC000183670068 822508343 /nfs/dbraw/zinc/50/83/43/822508343.db2.gz SLSKZWLXUZQEOY-OAHLLOKOSA-N 1 2 398.532 4.007 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000046720875 822509550 /nfs/dbraw/zinc/50/95/50/822509550.db2.gz INQRVYIMPWZONB-QAPCUYQASA-N 1 2 391.471 4.237 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000046720875 822509553 /nfs/dbraw/zinc/50/95/53/822509553.db2.gz INQRVYIMPWZONB-QAPCUYQASA-N 1 2 391.471 4.237 20 0 GIADLO CCCOc1ccc(CNC(=O)NCc2c[nH+]c(C)cc2C)c(OC(F)F)c1 ZINC000454676945 822515745 /nfs/dbraw/zinc/51/57/45/822515745.db2.gz LVGMTZVQHHNMDJ-UHFFFAOYSA-N 1 2 393.434 4.088 20 0 GIADLO CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000046921372 822531046 /nfs/dbraw/zinc/53/10/46/822531046.db2.gz TZFRUTIPQRTNIJ-SFHVURJKSA-N 1 2 392.503 4.233 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000046944158 822533331 /nfs/dbraw/zinc/53/33/31/822533331.db2.gz QLPHWDNJHMCASZ-UHFFFAOYSA-N 1 2 392.425 4.277 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)Nc1ccc(Br)cc1Cl ZINC000046945130 822533564 /nfs/dbraw/zinc/53/35/64/822533564.db2.gz BSIDXRVXPAGWTR-UHFFFAOYSA-N 1 2 383.677 4.121 20 0 GIADLO CC[C@H]([NH2+]Cc1cc(-c2cccs2)on1)c1ccccc1OCC(=O)N(C)C ZINC000179726856 822536198 /nfs/dbraw/zinc/53/61/98/822536198.db2.gz JLRCMQCWKKDQPS-KRWDZBQOSA-N 1 2 399.516 4.111 20 0 GIADLO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(Cc2ccccc2)no1 ZINC000179727844 822536467 /nfs/dbraw/zinc/53/64/67/822536467.db2.gz KWOFDGZDFJNVMA-QRQCRPRQSA-N 1 2 391.471 4.234 20 0 GIADLO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183910916 822544678 /nfs/dbraw/zinc/54/46/78/822544678.db2.gz AXSYFRWOGXHZOA-HNNXBMFYSA-N 1 2 393.306 4.297 20 0 GIADLO O=C(c1ccccc1OC(F)F)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183919145 822546412 /nfs/dbraw/zinc/54/64/12/822546412.db2.gz BSCDBSJLDHVEKM-UHFFFAOYSA-N 1 2 396.384 4.184 20 0 GIADLO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000179768339 822548455 /nfs/dbraw/zinc/54/84/55/822548455.db2.gz BYHRHDPGROKXIH-MRXNPFEDSA-N 1 2 376.243 4.446 20 0 GIADLO COc1cc(C)c(Br)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183936014 822550098 /nfs/dbraw/zinc/55/00/98/822550098.db2.gz HPSLCRVDCOMHRT-UHFFFAOYSA-N 1 2 386.249 4.204 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2OCC(F)F)CC1 ZINC000183983936 822558047 /nfs/dbraw/zinc/55/80/47/822558047.db2.gz ADSRZMKFJORINA-CQSZACIVSA-N 1 2 395.475 4.303 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000179847766 822565566 /nfs/dbraw/zinc/56/55/66/822565566.db2.gz BNRWZYZJLOLPDG-ROUUACIJSA-N 1 2 398.551 4.414 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000454993639 822567377 /nfs/dbraw/zinc/56/73/77/822567377.db2.gz OPFVNLRADJWORP-YVWKXTFCSA-N 1 2 394.519 4.025 20 0 GIADLO COc1ccc(F)cc1[C@H](C)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000047371718 822571541 /nfs/dbraw/zinc/57/15/41/822571541.db2.gz OLFOSPWMLSYNLY-ZDUSSCGKSA-N 1 2 392.500 4.159 20 0 GIADLO C#CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)[C@H]1CCc2ccccc21 ZINC000047405945 822575804 /nfs/dbraw/zinc/57/58/04/822575804.db2.gz PEJNWLOWGJFABM-DEOSSOPVSA-N 1 2 387.527 4.156 20 0 GIADLO C#CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)[C@H]1CCc2ccccc21 ZINC000047405945 822575809 /nfs/dbraw/zinc/57/58/09/822575809.db2.gz PEJNWLOWGJFABM-DEOSSOPVSA-N 1 2 387.527 4.156 20 0 GIADLO FC(F)(F)c1nn(Cc2nc(-c3ccc(Cl)cc3)no2)c2cc[nH+]cc21 ZINC000179931627 822579332 /nfs/dbraw/zinc/57/93/32/822579332.db2.gz WCDCMCXOXCRPEC-UHFFFAOYSA-N 1 2 379.729 4.202 20 0 GIADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000179940092 822581263 /nfs/dbraw/zinc/58/12/63/822581263.db2.gz MQDONNTWRJILPX-LLVKDONJSA-N 1 2 384.423 4.438 20 0 GIADLO Cc1nnc(C[NH2+][C@@](C)(Cc2cccc(Br)c2)c2ccccc2)o1 ZINC000179961877 822586303 /nfs/dbraw/zinc/58/63/03/822586303.db2.gz RQJMBJWNFBGOIB-IBGZPJMESA-N 1 2 386.293 4.388 20 0 GIADLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1ccco1 ZINC000184151502 822586413 /nfs/dbraw/zinc/58/64/13/822586413.db2.gz SFWKLZDWNXCSGH-OKZBNKHCSA-N 1 2 390.549 4.397 20 0 GIADLO CC(C)COC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)c1ccco1 ZINC000184155513 822586998 /nfs/dbraw/zinc/58/69/98/822586998.db2.gz IVCYFWXFBGPQPQ-MAUKXSAKSA-N 1 2 378.900 4.114 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 ZINC000184167771 822589506 /nfs/dbraw/zinc/58/95/06/822589506.db2.gz SCFJMQOQMQPZFW-NSHDSACASA-N 1 2 376.482 4.003 20 0 GIADLO Cn1cc([C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)c2cccc(F)c2)cn1 ZINC000179980020 822589724 /nfs/dbraw/zinc/58/97/24/822589724.db2.gz HROWFEAYTWSDKA-IFMALSPDSA-N 1 2 382.483 4.058 20 0 GIADLO Cn1cc([C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)c2cccc(F)c2)cn1 ZINC000179979989 822589743 /nfs/dbraw/zinc/58/97/43/822589743.db2.gz HROWFEAYTWSDKA-RBBKRZOGSA-N 1 2 382.483 4.058 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000455109937 822590248 /nfs/dbraw/zinc/59/02/48/822590248.db2.gz OZUOHBIWPSBBIF-GFCCVEGCSA-N 1 2 386.805 4.010 20 0 GIADLO Cc1ccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000047570031 822592042 /nfs/dbraw/zinc/59/20/42/822592042.db2.gz ACSMLDVZVKGYOJ-OALUTQOASA-N 1 2 381.520 4.234 20 0 GIADLO Cc1ccc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000047570027 822592064 /nfs/dbraw/zinc/59/20/64/822592064.db2.gz ACSMLDVZVKGYOJ-KDURUIRLSA-N 1 2 381.520 4.234 20 0 GIADLO Cc1ccc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000047570027 822592066 /nfs/dbraw/zinc/59/20/66/822592066.db2.gz ACSMLDVZVKGYOJ-KDURUIRLSA-N 1 2 381.520 4.234 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000455121464 822592177 /nfs/dbraw/zinc/59/21/77/822592177.db2.gz VPXHQESMSJCRAK-ZWKOTPCHSA-N 1 2 378.520 4.108 20 0 GIADLO COc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1OC(C)C ZINC000184198211 822594552 /nfs/dbraw/zinc/59/45/52/822594552.db2.gz CPJDLKWGTPYTHJ-UHFFFAOYSA-N 1 2 398.507 4.189 20 0 GIADLO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184200939 822595117 /nfs/dbraw/zinc/59/51/17/822595117.db2.gz CXVDHURLHXGSCL-NVXWUHKLSA-N 1 2 376.522 4.332 20 0 GIADLO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184200905 822595148 /nfs/dbraw/zinc/59/51/48/822595148.db2.gz CXVDHURLHXGSCL-DOTOQJQBSA-N 1 2 376.522 4.332 20 0 GIADLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(-c4cccs4)o3)ccc2NC1=O ZINC000180027551 822599981 /nfs/dbraw/zinc/59/99/81/822599981.db2.gz SDKPSULZIMJFLM-SWLSCSKDSA-N 1 2 383.473 4.363 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)c(OC)c1 ZINC000180027216 822600069 /nfs/dbraw/zinc/60/00/69/822600069.db2.gz PGTCPBLQUZBYEF-GFCCVEGCSA-N 1 2 389.883 4.103 20 0 GIADLO O=C(NC1CC[NH+](Cc2csc(Br)c2)CC1)c1ccc(F)cc1 ZINC000047704054 822601243 /nfs/dbraw/zinc/60/12/43/822601243.db2.gz MVTOVZKBEQBDHK-UHFFFAOYSA-N 1 2 397.313 4.044 20 0 GIADLO C[C@H](C1CC1)n1cc(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cn1 ZINC000455197168 822605986 /nfs/dbraw/zinc/60/59/86/822605986.db2.gz AVGGYRUQDVGXES-CYBMUJFWSA-N 1 2 384.871 4.015 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000184374773 822624330 /nfs/dbraw/zinc/62/43/30/822624330.db2.gz YEPGYJSSPAHOBK-CQSZACIVSA-N 1 2 385.920 4.469 20 0 GIADLO O=C(Nc1ccc(Cl)cc1OC(F)F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000184375912 822624368 /nfs/dbraw/zinc/62/43/68/822624368.db2.gz FJOZAWIPKIXVKH-UHFFFAOYSA-N 1 2 396.825 4.127 20 0 GIADLO CN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H](CO)CC(C)(C)C ZINC000455275566 822624465 /nfs/dbraw/zinc/62/44/65/822624465.db2.gz AWTBYWPLDHJIJQ-LJQANCHMSA-N 1 2 384.524 4.147 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)c2cccc(F)c2)cn1 ZINC000180152349 822627910 /nfs/dbraw/zinc/62/79/10/822627910.db2.gz DJFGACCBFVTLJN-QFIPXVFZSA-N 1 2 380.467 4.155 20 0 GIADLO C[C@@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cccnc1 ZINC000048067550 822628953 /nfs/dbraw/zinc/62/89/53/822628953.db2.gz WZJWMUHDFZKPCC-RDTXWAMCSA-N 1 2 390.890 4.071 20 0 GIADLO COc1ccccc1[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccco1 ZINC000180180042 822633526 /nfs/dbraw/zinc/63/35/26/822633526.db2.gz XKGYLWYPIIIJRR-LJQANCHMSA-N 1 2 382.426 4.384 20 0 GIADLO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1nc(C(C)(C)C)cs1 ZINC000184445626 822636632 /nfs/dbraw/zinc/63/66/32/822636632.db2.gz YUJZLDRQTCKTFR-NSHDSACASA-N 1 2 385.986 4.465 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184478155 822642741 /nfs/dbraw/zinc/64/27/41/822642741.db2.gz SHYDHSKUWOESRT-OLZOCXBDSA-N 1 2 388.537 4.077 20 0 GIADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000455393489 822645801 /nfs/dbraw/zinc/64/58/01/822645801.db2.gz ZFYURQWOQQBLTM-YOEHRIQHSA-N 1 2 377.410 4.218 20 0 GIADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000455393484 822645805 /nfs/dbraw/zinc/64/58/05/822645805.db2.gz ZFYURQWOQQBLTM-RHSMWYFYSA-N 1 2 377.410 4.218 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)CCCc3ccc(Cl)c(Cl)c3)sc2C1 ZINC000048222868 822646377 /nfs/dbraw/zinc/64/63/77/822646377.db2.gz NXNSYEKGAVUIMC-UHFFFAOYSA-N 1 2 384.332 4.399 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)CCCc3ccc(Cl)c(Cl)c3)sc2C1 ZINC000048222868 822646378 /nfs/dbraw/zinc/64/63/78/822646378.db2.gz NXNSYEKGAVUIMC-UHFFFAOYSA-N 1 2 384.332 4.399 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)c1ccco1 ZINC000184519607 822649769 /nfs/dbraw/zinc/64/97/69/822649769.db2.gz YIDGLVUKJPFWOE-MRXNPFEDSA-N 1 2 399.516 4.244 20 0 GIADLO CC(C)[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(Cl)cc1F ZINC000180259512 822649790 /nfs/dbraw/zinc/64/97/90/822649790.db2.gz LMMLISDRHWVSBF-GOSISDBHSA-N 1 2 383.920 4.053 20 0 GIADLO O=C(C[N@H+](Cc1cccnc1)C1CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000180268469 822651572 /nfs/dbraw/zinc/65/15/72/822651572.db2.gz KIIJYLVCXAOGEC-UHFFFAOYSA-N 1 2 387.483 4.264 20 0 GIADLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000180268469 822651576 /nfs/dbraw/zinc/65/15/76/822651576.db2.gz KIIJYLVCXAOGEC-UHFFFAOYSA-N 1 2 387.483 4.264 20 0 GIADLO O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000048347462 822654884 /nfs/dbraw/zinc/65/48/84/822654884.db2.gz GUJBLDZZMMAJPA-UHFFFAOYSA-N 1 2 383.879 4.060 20 0 GIADLO Cc1cc(C)c(NC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)c(C)[nH+]1 ZINC000455465557 822659908 /nfs/dbraw/zinc/65/99/08/822659908.db2.gz DXCYYKMQXFNKOP-UHFFFAOYSA-N 1 2 375.476 4.003 20 0 GIADLO COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455480482 822662590 /nfs/dbraw/zinc/66/25/90/822662590.db2.gz OBJOGCVLZKWYKD-FQEVSTJZSA-N 1 2 383.492 4.229 20 0 GIADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccco1 ZINC000184592905 822662928 /nfs/dbraw/zinc/66/29/28/822662928.db2.gz FIOUPDWEAVXFGP-UTKZUKDTSA-N 1 2 394.471 4.163 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c(C)[nH+]1 ZINC000455483762 822663337 /nfs/dbraw/zinc/66/33/37/822663337.db2.gz QGMHNRSEGPCJRX-UHFFFAOYSA-N 1 2 390.890 4.149 20 0 GIADLO COc1cc(N[C@H]2CCCN(C(=O)Nc3c(C)cc(C)[nH+]c3C)C2)cc(OC)c1 ZINC000455485670 822663728 /nfs/dbraw/zinc/66/37/28/822663728.db2.gz KCYXHVSFBNDHKH-KRWDZBQOSA-N 1 2 398.507 4.132 20 0 GIADLO COC[C@H]([NH2+]CC(=O)Nc1ccccc1Sc1ccccc1)c1ccco1 ZINC000184606118 822664883 /nfs/dbraw/zinc/66/48/83/822664883.db2.gz ZFBQZVWGPSUCRJ-SFHVURJKSA-N 1 2 382.485 4.347 20 0 GIADLO Cc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c(OC[C@@H]2CCOC2)c1 ZINC000455503071 822667110 /nfs/dbraw/zinc/66/71/10/822667110.db2.gz VILVSEBTHDKBQG-GOSISDBHSA-N 1 2 383.492 4.052 20 0 GIADLO COC(=O)C[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(Cl)cc1 ZINC000455504234 822667463 /nfs/dbraw/zinc/66/74/63/822667463.db2.gz WERJPWZHHZTAQK-INIZCTEOSA-N 1 2 375.856 4.086 20 0 GIADLO Cc1cc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1-c1ccncc1 ZINC000455505940 822667826 /nfs/dbraw/zinc/66/78/26/822667826.db2.gz KVODCIAFBITADV-GOSISDBHSA-N 1 2 375.476 4.202 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccco1 ZINC000184629157 822668177 /nfs/dbraw/zinc/66/81/77/822668177.db2.gz FSEVYTQIXNJLDO-KNQAVFIVSA-N 1 2 398.890 4.116 20 0 GIADLO COC(=O)c1ccccc1CC1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000455539659 822672162 /nfs/dbraw/zinc/67/21/62/822672162.db2.gz XYZHGLFDTDMDBF-UHFFFAOYSA-N 1 2 395.503 4.280 20 0 GIADLO C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000048567790 822672921 /nfs/dbraw/zinc/67/29/21/822672921.db2.gz PABBUEKLPFSRNH-AWEZNQCLSA-N 1 2 392.425 4.130 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000180389641 822674310 /nfs/dbraw/zinc/67/43/10/822674310.db2.gz BOGZHJPNEOPMCD-SFHVURJKSA-N 1 2 398.551 4.080 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3cccs3)cs2)cs1 ZINC000184699847 822678617 /nfs/dbraw/zinc/67/86/17/822678617.db2.gz CERKQUPLIRSPCO-JTQLQIEISA-N 1 2 378.548 4.180 20 0 GIADLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1O ZINC000184701632 822679013 /nfs/dbraw/zinc/67/90/13/822679013.db2.gz FKIBFAZFXVBYDL-QGZVFWFLSA-N 1 2 399.821 4.229 20 0 GIADLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1O ZINC000184701632 822679016 /nfs/dbraw/zinc/67/90/16/822679016.db2.gz FKIBFAZFXVBYDL-QGZVFWFLSA-N 1 2 399.821 4.229 20 0 GIADLO Clc1ccc(-n2c(SCCCn3cc[nH+]c3)nnc2-c2ccncc2)cc1 ZINC000180428820 822680066 /nfs/dbraw/zinc/68/00/66/822680066.db2.gz NXEWMLMUUVUKEC-UHFFFAOYSA-N 1 2 396.907 4.362 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N2CC[C@@H](C)Sc3ccccc32)cs1 ZINC000184722911 822682035 /nfs/dbraw/zinc/68/20/35/822682035.db2.gz MUNJTHHGBGJVMN-ZIAGYGMSSA-N 1 2 375.563 4.274 20 0 GIADLO COc1cc(C[NH2+]Cc2csc(C)n2)cc(OC)c1OCc1ccccc1 ZINC000048782721 822683080 /nfs/dbraw/zinc/68/30/80/822683080.db2.gz QEQSQMWLUWAGIH-UHFFFAOYSA-N 1 2 384.501 4.338 20 0 GIADLO O=C(NC1CC[NH+](Cc2c(F)cccc2Br)CC1)c1ccsc1 ZINC000180446627 822683664 /nfs/dbraw/zinc/68/36/64/822683664.db2.gz BNOHJKWZLRUYGT-UHFFFAOYSA-N 1 2 397.313 4.044 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2C)cs1 ZINC000184747629 822685424 /nfs/dbraw/zinc/68/54/24/822685424.db2.gz AFUOTWZEASSWHW-LLVKDONJSA-N 1 2 382.327 4.066 20 0 GIADLO COC[C@@H]([NH2+][C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1)c1ccc(C)o1 ZINC000184760532 822687329 /nfs/dbraw/zinc/68/73/29/822687329.db2.gz FMMBBFLXFSYPHY-GHTZIAJQSA-N 1 2 392.499 4.159 20 0 GIADLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000455636785 822688122 /nfs/dbraw/zinc/68/81/22/822688122.db2.gz IETALZYLDHGCMA-UTKZUKDTSA-N 1 2 394.906 4.132 20 0 GIADLO Cc1cccc(COc2cccc(NC(=O)N3CCC[C@H]3Cn3cc[nH+]c3)c2)c1 ZINC000180478900 822688789 /nfs/dbraw/zinc/68/87/89/822688789.db2.gz LGVGERMJHSQZDG-NRFANRHFSA-N 1 2 390.487 4.467 20 0 GIADLO O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180501820 822691766 /nfs/dbraw/zinc/69/17/66/822691766.db2.gz MEGQTDKOWAKPGZ-QGZVFWFLSA-N 1 2 397.866 4.420 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H](c2ccccc2)C(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000455654636 822692352 /nfs/dbraw/zinc/69/23/52/822692352.db2.gz QPSLVYNKDLUONT-BZSNNMDCSA-N 1 2 395.400 4.016 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)N[C@@H](c2ccccc2)C(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000455654636 822692355 /nfs/dbraw/zinc/69/23/55/822692355.db2.gz QPSLVYNKDLUONT-BZSNNMDCSA-N 1 2 395.400 4.016 20 0 GIADLO O=C(Nc1ccc([C@H]2CCOC2)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455663609 822694477 /nfs/dbraw/zinc/69/44/77/822694477.db2.gz LUJFYSLYEJGWCP-FQEVSTJZSA-N 1 2 382.508 4.111 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)o1 ZINC000184828070 822696325 /nfs/dbraw/zinc/69/63/25/822696325.db2.gz PKMHQLRACOVTTJ-PBHICJAKSA-N 1 2 378.900 4.417 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000184837792 822697892 /nfs/dbraw/zinc/69/78/92/822697892.db2.gz RUNRTDXDUJNSDA-DEYYWGMASA-N 1 2 378.900 4.038 20 0 GIADLO COc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cc1OC ZINC000184840284 822698400 /nfs/dbraw/zinc/69/84/00/822698400.db2.gz RGBUKZNZIFURMI-JTQLQIEISA-N 1 2 384.245 4.162 20 0 GIADLO Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000184848544 822700066 /nfs/dbraw/zinc/70/00/66/822700066.db2.gz PMSTYPDOVJOJAK-BZNIZROVSA-N 1 2 395.276 4.208 20 0 GIADLO O=C(NC1CC[NH+](Cc2c(F)cccc2Br)CC1)C1CCCCC1 ZINC000180562268 822702963 /nfs/dbraw/zinc/70/29/63/822702963.db2.gz CHTLEHKMFIBBMP-UHFFFAOYSA-N 1 2 397.332 4.249 20 0 GIADLO C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cc(Br)cc(F)c1O ZINC000184864731 822702972 /nfs/dbraw/zinc/70/29/72/822702972.db2.gz ZHUWTRVCEFPVOK-IINYFYTJSA-N 1 2 387.318 4.309 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000049637289 822703457 /nfs/dbraw/zinc/70/34/57/822703457.db2.gz IOUUKGCDWOKTDQ-HSZRJFAPSA-N 1 2 387.483 4.118 20 0 GIADLO COc1ccc(OCc2ccccn2)c(C[N@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000180571224 822704394 /nfs/dbraw/zinc/70/43/94/822704394.db2.gz DJRJKCRDVPXJGP-UHFFFAOYSA-N 1 2 385.895 4.293 20 0 GIADLO COc1ccc(OCc2ccccn2)c(C[N@@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000180571224 822704398 /nfs/dbraw/zinc/70/43/98/822704398.db2.gz DJRJKCRDVPXJGP-UHFFFAOYSA-N 1 2 385.895 4.293 20 0 GIADLO C[C@@H](CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000184877696 822705719 /nfs/dbraw/zinc/70/57/19/822705719.db2.gz BSLHRFFSJNLGNO-BZSNNMDCSA-N 1 2 377.488 4.301 20 0 GIADLO CCCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184903946 822710643 /nfs/dbraw/zinc/71/06/43/822710643.db2.gz VCEZVYSCNIDBEK-QGZVFWFLSA-N 1 2 393.487 4.097 20 0 GIADLO O=C(Nc1ccccc1OCCF)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000455717940 822712401 /nfs/dbraw/zinc/71/24/01/822712401.db2.gz ARXYJQQEDOQYNS-PZJWPPBQSA-N 1 2 394.450 4.282 20 0 GIADLO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000184916324 822712589 /nfs/dbraw/zinc/71/25/89/822712589.db2.gz FOLVNXVWIZIADR-JTQLQIEISA-N 1 2 381.245 4.103 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1scnc1C1CCCC1 ZINC000184940840 822716147 /nfs/dbraw/zinc/71/61/47/822716147.db2.gz YVBBPPPUILZFHK-UHFFFAOYSA-N 1 2 385.533 4.194 20 0 GIADLO C[C@H](c1ccsc1)N1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000184973550 822720200 /nfs/dbraw/zinc/72/02/00/822720200.db2.gz LFUALURYDQERIP-QGZVFWFLSA-N 1 2 380.517 4.209 20 0 GIADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O ZINC000184980483 822721227 /nfs/dbraw/zinc/72/12/27/822721227.db2.gz NVIDSOGIISDKOB-XOBRGWDASA-N 1 2 383.442 4.420 20 0 GIADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O ZINC000184980483 822721228 /nfs/dbraw/zinc/72/12/28/822721228.db2.gz NVIDSOGIISDKOB-XOBRGWDASA-N 1 2 383.442 4.420 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(OCC)ccc1Cl ZINC000455760210 822721292 /nfs/dbraw/zinc/72/12/92/822721292.db2.gz UIFZRIKGDJXDOD-UHFFFAOYSA-N 1 2 378.904 4.442 20 0 GIADLO CC(C)C(=O)c1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000455794818 822727888 /nfs/dbraw/zinc/72/78/88/822727888.db2.gz LTMKJMXLXIOOSI-INIZCTEOSA-N 1 2 385.533 4.498 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c1C ZINC000050448136 822729744 /nfs/dbraw/zinc/72/97/44/822729744.db2.gz KKTKPGZRMOXCBR-GFCCVEGCSA-N 1 2 383.275 4.098 20 0 GIADLO CC[C@H]([NH2+]CC(=O)NCc1ccc(COc2ccccc2)cc1)c1nccs1 ZINC000185092912 822736092 /nfs/dbraw/zinc/73/60/92/822736092.db2.gz QUFOVSOLJNOORT-FQEVSTJZSA-N 1 2 395.528 4.079 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1nccs1 ZINC000185094462 822736324 /nfs/dbraw/zinc/73/63/24/822736324.db2.gz YBBPROBQIDXPJI-MAUKXSAKSA-N 1 2 389.521 4.290 20 0 GIADLO CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1)C1CCCCC1 ZINC000185099707 822736938 /nfs/dbraw/zinc/73/69/38/822736938.db2.gz ZAXCGOIFTVUROT-HUUCEWRRSA-N 1 2 388.487 4.096 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1ncc(Cc2cccc(C)c2)s1)c1nccs1 ZINC000185100832 822737177 /nfs/dbraw/zinc/73/71/77/822737177.db2.gz MWPPDHFAMAWLPA-INIZCTEOSA-N 1 2 386.546 4.178 20 0 GIADLO CC[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1nccs1 ZINC000185113837 822738810 /nfs/dbraw/zinc/73/88/10/822738810.db2.gz OKUNQUMGVLQDCD-ZDUSSCGKSA-N 1 2 383.311 4.308 20 0 GIADLO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1)c1nc(C(C)(C)C)no1 ZINC000185178556 822746020 /nfs/dbraw/zinc/74/60/20/822746020.db2.gz JKEDJKGPKYYZSC-APWZRJJASA-N 1 2 395.503 4.125 20 0 GIADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000455935985 822752962 /nfs/dbraw/zinc/75/29/62/822752962.db2.gz CAKGVURHKBJDJI-FRQROOTJSA-N 1 2 378.303 4.403 20 0 GIADLO COc1ccc2cc(CN(C)C(=O)NCc3[nH+]cc(C)c(OC)c3C)ccc2c1 ZINC000051335141 822756646 /nfs/dbraw/zinc/75/66/46/822756646.db2.gz FTILEGHTEWMXMK-UHFFFAOYSA-N 1 2 393.487 4.210 20 0 GIADLO C[C@@H](Sc1ccccc1Cl)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000051376804 822758021 /nfs/dbraw/zinc/75/80/21/822758021.db2.gz UFFGFRLNBSKUAT-CQSZACIVSA-N 1 2 375.925 4.132 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c(OC)c1 ZINC000051454723 822760645 /nfs/dbraw/zinc/76/06/45/822760645.db2.gz RIKIBNXDCOQXFE-INIZCTEOSA-N 1 2 396.487 4.101 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c(OC)c1 ZINC000051454723 822760648 /nfs/dbraw/zinc/76/06/48/822760648.db2.gz RIKIBNXDCOQXFE-INIZCTEOSA-N 1 2 396.487 4.101 20 0 GIADLO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1nc(-c2cccnc2)no1 ZINC000185317399 822764902 /nfs/dbraw/zinc/76/49/02/822764902.db2.gz VADONZMYHSIBLY-INIZCTEOSA-N 1 2 387.827 4.180 20 0 GIADLO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000051588697 822767520 /nfs/dbraw/zinc/76/75/20/822767520.db2.gz AQZYFWOBPXZSIZ-HNNXBMFYSA-N 1 2 390.516 4.213 20 0 GIADLO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000174304382 822767888 /nfs/dbraw/zinc/76/78/88/822767888.db2.gz NEHQDVNJNNXNNI-IFMALSPDSA-N 1 2 396.535 4.049 20 0 GIADLO COc1ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1OC1CCCC1 ZINC000051613006 822768068 /nfs/dbraw/zinc/76/80/68/822768068.db2.gz MJQIMOBUTUVOTQ-UHFFFAOYSA-N 1 2 399.491 4.359 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(CC(F)(F)F)c2)c1C ZINC000174311004 822769201 /nfs/dbraw/zinc/76/92/01/822769201.db2.gz NRHWTTFJFBVVCX-UHFFFAOYSA-N 1 2 381.398 4.476 20 0 GIADLO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(-c2ccncc2)cc1 ZINC000174345253 822775637 /nfs/dbraw/zinc/77/56/37/822775637.db2.gz DHINVUYLKAOFAI-GOSISDBHSA-N 1 2 389.503 4.396 20 0 GIADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)on1 ZINC000052007472 822786574 /nfs/dbraw/zinc/78/65/74/822786574.db2.gz AIJGEBPAMVJGCD-LRDDRELGSA-N 1 2 382.291 4.304 20 0 GIADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)on1 ZINC000052007472 822786577 /nfs/dbraw/zinc/78/65/77/822786577.db2.gz AIJGEBPAMVJGCD-LRDDRELGSA-N 1 2 382.291 4.304 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@H](O)c1ccc(F)cc1 ZINC000185468656 822787864 /nfs/dbraw/zinc/78/78/64/822787864.db2.gz GPDJMJGWOCWKGI-IEVXNVSRSA-N 1 2 386.236 4.206 20 0 GIADLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185516716 822792656 /nfs/dbraw/zinc/79/26/56/822792656.db2.gz SERSPYGKMXVQGX-INIZCTEOSA-N 1 2 397.906 4.358 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)o1 ZINC000185548347 822795654 /nfs/dbraw/zinc/79/56/54/822795654.db2.gz JBLIQAPASALMST-BMIGLBTASA-N 1 2 386.261 4.488 20 0 GIADLO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000052327141 822796592 /nfs/dbraw/zinc/79/65/92/822796592.db2.gz VBFVCHQZVVQDLP-MRXNPFEDSA-N 1 2 391.437 4.180 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1(Cc2cccc(F)c2)CCC1 ZINC000185562942 822796841 /nfs/dbraw/zinc/79/68/41/822796841.db2.gz QVXXAUPTJYTTLY-UHFFFAOYSA-N 1 2 377.463 4.100 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)Nc1cccc(Oc2ccccn2)c1 ZINC000174500374 822797366 /nfs/dbraw/zinc/79/73/66/822797366.db2.gz COVWXEMHIUSMDK-UHFFFAOYSA-N 1 2 377.448 4.283 20 0 GIADLO CC[C@@](C)([NH2+]Cc1cc2c(cc1Br)OCO2)c1nc(C)cs1 ZINC000174500293 822797391 /nfs/dbraw/zinc/79/73/91/822797391.db2.gz CHEZQYUHSGNZJH-MRXNPFEDSA-N 1 2 383.311 4.358 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000174501781 822797670 /nfs/dbraw/zinc/79/76/70/822797670.db2.gz GCUWMAHIAGZUQT-UHFFFAOYSA-N 1 2 399.564 4.187 20 0 GIADLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cs1 ZINC000185629757 822804094 /nfs/dbraw/zinc/80/40/94/822804094.db2.gz AZHKGTMUYRZTBL-JOYOIKCWSA-N 1 2 376.448 4.077 20 0 GIADLO COC(=O)COc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(-c3ccccc3C)no2)cc1 ZINC000185653948 822807189 /nfs/dbraw/zinc/80/71/89/822807189.db2.gz YQUOZFBAVKWUGO-HOTGVXAUSA-N 1 2 395.459 4.009 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3N3CCOCC3)o2)cc1 ZINC000052686748 822807215 /nfs/dbraw/zinc/80/72/15/822807215.db2.gz JQTOXGGVPNCBKK-GOSISDBHSA-N 1 2 392.503 4.075 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3N3CCOCC3)o2)cc1 ZINC000052686748 822807219 /nfs/dbraw/zinc/80/72/19/822807219.db2.gz JQTOXGGVPNCBKK-GOSISDBHSA-N 1 2 392.503 4.075 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1N1CCCC1 ZINC000052710406 822807795 /nfs/dbraw/zinc/80/77/95/822807795.db2.gz LIHNYCHYJCVXJI-UHFFFAOYSA-N 1 2 391.437 4.376 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1N1CCCC1 ZINC000052710406 822807798 /nfs/dbraw/zinc/80/77/98/822807798.db2.gz LIHNYCHYJCVXJI-UHFFFAOYSA-N 1 2 391.437 4.376 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC000052749849 822809577 /nfs/dbraw/zinc/80/95/77/822809577.db2.gz BTLLSIUAEJWHAT-MRXNPFEDSA-N 1 2 390.462 4.308 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC4(CCC4)[C@@H]3c3ccco3)cn2c1 ZINC000456568763 822816934 /nfs/dbraw/zinc/81/69/34/822816934.db2.gz PKJNVVIKXMUIEG-FQEVSTJZSA-N 1 2 381.501 4.223 20 0 GIADLO O=C(NCC1(Cc2ccccc2)CCCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000185748780 822817424 /nfs/dbraw/zinc/81/74/24/822817424.db2.gz NOFBLFOYXFPQPH-UHFFFAOYSA-N 1 2 380.536 4.423 20 0 GIADLO Cc1csc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000052993792 822818055 /nfs/dbraw/zinc/81/80/55/822818055.db2.gz AFLCYEMRIXSIHZ-UHFFFAOYSA-N 1 2 390.896 4.064 20 0 GIADLO CC(C)(C)c1cnc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)o1 ZINC000053020695 822818899 /nfs/dbraw/zinc/81/88/99/822818899.db2.gz TZZVFMYLIOZETF-UHFFFAOYSA-N 1 2 391.899 4.182 20 0 GIADLO CCOc1cc(C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)ccc1OC ZINC000174656815 822819139 /nfs/dbraw/zinc/81/91/39/822819139.db2.gz BYXAHJDBNSKULQ-CQSZACIVSA-N 1 2 383.448 4.003 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000053157965 822824251 /nfs/dbraw/zinc/82/42/51/822824251.db2.gz QFOXZRUSVDYYMK-HXUWFJFHSA-N 1 2 397.906 4.008 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000053157965 822824254 /nfs/dbraw/zinc/82/42/54/822824254.db2.gz QFOXZRUSVDYYMK-HXUWFJFHSA-N 1 2 397.906 4.008 20 0 GIADLO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(Br)ccc1Cl)n2C ZINC000185838389 822826007 /nfs/dbraw/zinc/82/60/07/822826007.db2.gz DRCMRMHGZQZMBS-UHFFFAOYSA-N 1 2 394.700 4.288 20 0 GIADLO COCC1=CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC000185859976 822827904 /nfs/dbraw/zinc/82/79/04/822827904.db2.gz PAPQFEKOWINASQ-UHFFFAOYSA-N 1 2 386.879 4.349 20 0 GIADLO COCC1=CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC000185859976 822827905 /nfs/dbraw/zinc/82/79/05/822827905.db2.gz PAPQFEKOWINASQ-UHFFFAOYSA-N 1 2 386.879 4.349 20 0 GIADLO Cc1cc(C)c(CNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c[nH+]1 ZINC000456836107 822836742 /nfs/dbraw/zinc/83/67/42/822836742.db2.gz AJWCSWADQISMGO-UHFFFAOYSA-N 1 2 378.476 4.121 20 0 GIADLO Cc1cc(C)c(CNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c[nH+]1 ZINC000456841751 822837297 /nfs/dbraw/zinc/83/72/97/822837297.db2.gz FZUBJSXPBFIAQB-UHFFFAOYSA-N 1 2 389.459 4.214 20 0 GIADLO CCOc1ccccc1NC(=O)C[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185960705 822837811 /nfs/dbraw/zinc/83/78/11/822837811.db2.gz HYSXTKFXKYRHRC-NSHDSACASA-N 1 2 387.427 4.240 20 0 GIADLO CC[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1nc(C(F)(F)F)cs1 ZINC000185962279 822838024 /nfs/dbraw/zinc/83/80/24/822838024.db2.gz UVXMPWPPHARILI-LBPRGKRZSA-N 1 2 384.379 4.215 20 0 GIADLO Cc1cc(C)c(CNC(=O)CSCc2ccc(Br)cc2)c[nH+]1 ZINC000456855669 822838461 /nfs/dbraw/zinc/83/84/61/822838461.db2.gz IONGGQMGBXJJIA-UHFFFAOYSA-N 1 2 379.323 4.011 20 0 GIADLO O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000053547469 822840320 /nfs/dbraw/zinc/84/03/20/822840320.db2.gz OHSXBACWFUWFMM-UHFFFAOYSA-N 1 2 397.482 4.384 20 0 GIADLO Cc1noc(C2CC[NH+](CC(=O)N[C@H](c3ccc(C(C)C)cc3)C(C)C)CC2)n1 ZINC000053640955 822843530 /nfs/dbraw/zinc/84/35/30/822843530.db2.gz FRIIBHYNGDHGHC-QFIPXVFZSA-N 1 2 398.551 4.194 20 0 GIADLO COc1ccc([C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c2ccco2)cc1 ZINC000456981964 822844534 /nfs/dbraw/zinc/84/45/34/822844534.db2.gz AHBOXTPEUHJMGO-IIBYNOLFSA-N 1 2 393.487 4.145 20 0 GIADLO COc1ccc([C@@H](NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c2ccco2)cc1 ZINC000456981964 822844536 /nfs/dbraw/zinc/84/45/36/822844536.db2.gz AHBOXTPEUHJMGO-IIBYNOLFSA-N 1 2 393.487 4.145 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000174895859 822852072 /nfs/dbraw/zinc/85/20/72/822852072.db2.gz LPISYIOQRQNFCT-UXHICEINSA-N 1 2 399.485 4.228 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(-c2ccccc2F)o1 ZINC000053896815 822852241 /nfs/dbraw/zinc/85/22/41/822852241.db2.gz FKYXSYOXHOYSOG-UHFFFAOYSA-N 1 2 375.403 4.261 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(OC(F)F)cc1 ZINC000174896805 822852264 /nfs/dbraw/zinc/85/22/64/822852264.db2.gz HCIKTOFVISDQOL-UHFFFAOYSA-N 1 2 389.446 4.062 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(F)cc1Cl ZINC000174904503 822853421 /nfs/dbraw/zinc/85/34/21/822853421.db2.gz DTKNGVWASLFJKT-UHFFFAOYSA-N 1 2 375.875 4.253 20 0 GIADLO Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000174936072 822858052 /nfs/dbraw/zinc/85/80/52/822858052.db2.gz BQOCIRCQPURKFJ-UHFFFAOYSA-N 1 2 378.398 4.331 20 0 GIADLO CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000054022806 822859256 /nfs/dbraw/zinc/85/92/56/822859256.db2.gz KCACRDHWTDAFCG-IBGZPJMESA-N 1 2 380.517 4.212 20 0 GIADLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000186205663 822860773 /nfs/dbraw/zinc/86/07/73/822860773.db2.gz ZBWKPJDYGCUAJR-JTSKRJEESA-N 1 2 398.503 4.071 20 0 GIADLO FC(F)(F)c1ccc(-n2nnnc2C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000054153063 822864498 /nfs/dbraw/zinc/86/44/98/822864498.db2.gz MCHGCCLBVVVTME-CQSZACIVSA-N 1 2 379.411 4.080 20 0 GIADLO FC(F)(F)c1ccc(-n2nnnc2C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000054153063 822864501 /nfs/dbraw/zinc/86/45/01/822864501.db2.gz MCHGCCLBVVVTME-CQSZACIVSA-N 1 2 379.411 4.080 20 0 GIADLO COc1c2ccccc2[nH]c1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000568968233 822866167 /nfs/dbraw/zinc/86/61/67/822866167.db2.gz GWBNQAQQVLVHES-FQEVSTJZSA-N 1 2 388.471 4.161 20 0 GIADLO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000568969078 822866191 /nfs/dbraw/zinc/86/61/91/822866191.db2.gz ZKWJOBVHDCXEDR-SGTLLEGYSA-N 1 2 383.293 4.257 20 0 GIADLO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000568969078 822866194 /nfs/dbraw/zinc/86/61/94/822866194.db2.gz ZKWJOBVHDCXEDR-SGTLLEGYSA-N 1 2 383.293 4.257 20 0 GIADLO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000054296552 822873595 /nfs/dbraw/zinc/87/35/95/822873595.db2.gz NVRMNTNEGAZNKF-UHFFFAOYSA-N 1 2 391.471 4.149 20 0 GIADLO CC(C)(Cc1ccc(Cl)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457443735 822875649 /nfs/dbraw/zinc/87/56/49/822875649.db2.gz PGXAVLODXSAEHN-UHFFFAOYSA-N 1 2 381.907 4.470 20 0 GIADLO Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC(OCC(C)C)CC3)n2)cc1 ZINC000054325180 822876632 /nfs/dbraw/zinc/87/66/32/822876632.db2.gz YIMUXXTYHJNCQS-UHFFFAOYSA-N 1 2 387.549 4.194 20 0 GIADLO Cc1ccc(OC2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)n3C)CC2)cc1 ZINC000186341745 822878619 /nfs/dbraw/zinc/87/86/19/822878619.db2.gz QXTIOCRXQLXGEZ-UHFFFAOYSA-N 1 2 396.922 4.487 20 0 GIADLO O=C(C[N@@H+]1CC[C@@H](c2cccnc2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000569100742 822880177 /nfs/dbraw/zinc/88/01/77/822880177.db2.gz PGSJMQILHCRMBV-GFCCVEGCSA-N 1 2 384.694 4.470 20 0 GIADLO O=C(C[N@H+]1CC[C@@H](c2cccnc2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000569100742 822880182 /nfs/dbraw/zinc/88/01/82/822880182.db2.gz PGSJMQILHCRMBV-GFCCVEGCSA-N 1 2 384.694 4.470 20 0 GIADLO CCC[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2NC(C)=O)C1)c1ccccc1 ZINC000054390493 822881134 /nfs/dbraw/zinc/88/11/34/822881134.db2.gz MQLZNMSDTLGUNS-VGOFRKELSA-N 1 2 393.531 4.049 20 0 GIADLO CCC[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2NC(C)=O)C1)c1ccccc1 ZINC000054390493 822881138 /nfs/dbraw/zinc/88/11/38/822881138.db2.gz MQLZNMSDTLGUNS-VGOFRKELSA-N 1 2 393.531 4.049 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C(C)C)C2 ZINC000054391516 822881191 /nfs/dbraw/zinc/88/11/91/822881191.db2.gz VXBYIEAXYTYGKT-MRXNPFEDSA-N 1 2 379.504 4.154 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccccc1C(C)C)C2 ZINC000054391516 822881197 /nfs/dbraw/zinc/88/11/97/822881197.db2.gz VXBYIEAXYTYGKT-MRXNPFEDSA-N 1 2 379.504 4.154 20 0 GIADLO CC(C)(C)[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc(C(F)(F)F)c1 ZINC000569123946 822881465 /nfs/dbraw/zinc/88/14/65/822881465.db2.gz QTMQQDNPZZOUOD-PBHICJAKSA-N 1 2 379.426 4.368 20 0 GIADLO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000457495458 822881619 /nfs/dbraw/zinc/88/16/19/822881619.db2.gz CORPCFRDAHRVBQ-UHFFFAOYSA-N 1 2 381.501 4.309 20 0 GIADLO CC1(C)CC[C@@]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)(C(=O)[O-])c2ccccc21 ZINC000569126906 822881818 /nfs/dbraw/zinc/88/18/18/822881818.db2.gz SHMHVBAKVMGOST-QHCPKHFHSA-N 1 2 375.472 4.013 20 0 GIADLO O=C(Nc1ccc(OC(F)F)c2cccnc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186412371 822890454 /nfs/dbraw/zinc/89/04/54/822890454.db2.gz ZOXQMVYSENRQPA-UHFFFAOYSA-N 1 2 380.354 4.274 20 0 GIADLO COc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1Br ZINC000186431840 822894209 /nfs/dbraw/zinc/89/42/09/822894209.db2.gz IFLQHBTYEHHECN-UHFFFAOYSA-N 1 2 383.286 4.051 20 0 GIADLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cccc(-c2ccncc2)c1 ZINC000186436113 822895255 /nfs/dbraw/zinc/89/52/55/822895255.db2.gz YGHRRBOHCRUBGA-KRWDZBQOSA-N 1 2 385.471 4.297 20 0 GIADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000457593487 822895902 /nfs/dbraw/zinc/89/59/02/822895902.db2.gz HNMCFGRWWSPZFR-UXLLHSPISA-N 1 2 398.473 4.333 20 0 GIADLO C[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)Sc1ccccc1 ZINC000175181945 822899240 /nfs/dbraw/zinc/89/92/40/822899240.db2.gz OGBWEJLUSDQHHB-KRWDZBQOSA-N 1 2 384.549 4.052 20 0 GIADLO C[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)Sc1ccccc1 ZINC000175181960 822899322 /nfs/dbraw/zinc/89/93/22/822899322.db2.gz OGBWEJLUSDQHHB-QGZVFWFLSA-N 1 2 384.549 4.052 20 0 GIADLO C[N@H+](Cc1nc(C2(c3ccc(F)cc3F)CCCC2)no1)[C@@H]1CCSC1 ZINC000569290272 822902282 /nfs/dbraw/zinc/90/22/82/822902282.db2.gz KJBGIZYCNFMTMA-CQSZACIVSA-N 1 2 379.476 4.145 20 0 GIADLO C[N@@H+](Cc1nc(C2(c3ccc(F)cc3F)CCCC2)no1)[C@@H]1CCSC1 ZINC000569290272 822902287 /nfs/dbraw/zinc/90/22/87/822902287.db2.gz KJBGIZYCNFMTMA-CQSZACIVSA-N 1 2 379.476 4.145 20 0 GIADLO Cc1nc(-c2cccc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)c2)cs1 ZINC000175202658 822903384 /nfs/dbraw/zinc/90/33/84/822903384.db2.gz YUTXQPUEVJHHOX-UHFFFAOYSA-N 1 2 393.512 4.203 20 0 GIADLO CCSCC[C@H](C)N(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000175212141 822905425 /nfs/dbraw/zinc/90/54/25/822905425.db2.gz SYURGAYMKVUYEN-RCCFBDPRSA-N 1 2 393.597 4.291 20 0 GIADLO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000186503602 822905824 /nfs/dbraw/zinc/90/58/24/822905824.db2.gz MNTOQDWVBXFSFX-SUMWQHHRSA-N 1 2 380.330 4.169 20 0 GIADLO NC(=O)c1ccc(C[N@@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000186506225 822906145 /nfs/dbraw/zinc/90/61/45/822906145.db2.gz RSJGNGWFHYBQMS-KRWDZBQOSA-N 1 2 380.435 4.094 20 0 GIADLO NC(=O)c1ccc(C[N@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000186506225 822906149 /nfs/dbraw/zinc/90/61/49/822906149.db2.gz RSJGNGWFHYBQMS-KRWDZBQOSA-N 1 2 380.435 4.094 20 0 GIADLO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000175242299 822912303 /nfs/dbraw/zinc/91/23/03/822912303.db2.gz XXYHWXWQIMVOSY-SFHVURJKSA-N 1 2 380.536 4.090 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CC1(CSc2ccccc2)CC1 ZINC000186561132 822913247 /nfs/dbraw/zinc/91/32/47/822913247.db2.gz MLQLZPKYHHOVJU-UHFFFAOYSA-N 1 2 397.544 4.128 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054807804 822914583 /nfs/dbraw/zinc/91/45/83/822914583.db2.gz GDOBXMQROAFRGQ-UHFFFAOYSA-N 1 2 393.531 4.000 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054807804 822914585 /nfs/dbraw/zinc/91/45/85/822914585.db2.gz GDOBXMQROAFRGQ-UHFFFAOYSA-N 1 2 393.531 4.000 20 0 GIADLO Fc1ccc(-c2cn(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)c(=S)o2)cc1 ZINC000175253345 822915395 /nfs/dbraw/zinc/91/53/95/822915395.db2.gz YZHCLKFNVJYXMC-SFHVURJKSA-N 1 2 392.496 4.234 20 0 GIADLO Cc1ccc(-n2ncc(NC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)c2C(C)C)cc1 ZINC000569422440 822920782 /nfs/dbraw/zinc/92/07/82/822920782.db2.gz RDKPYDNLIYQTNA-KRWDZBQOSA-N 1 2 392.507 4.059 20 0 GIADLO C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c2ccccc2S1 ZINC000186598720 822921162 /nfs/dbraw/zinc/92/11/62/822921162.db2.gz KPHKUAFKHOCKOS-UZUQRXQVSA-N 1 2 394.540 4.035 20 0 GIADLO C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c2ccccc2S1 ZINC000186598720 822921164 /nfs/dbraw/zinc/92/11/64/822921164.db2.gz KPHKUAFKHOCKOS-UZUQRXQVSA-N 1 2 394.540 4.035 20 0 GIADLO CCCCCC[C@H](C)CC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186619432 822924623 /nfs/dbraw/zinc/92/46/23/822924623.db2.gz YPRBASUXAVUSPO-IBGZPJMESA-N 1 2 387.568 4.286 20 0 GIADLO C[C@H](CC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)n1cc[nH+]c1 ZINC000569490239 822929022 /nfs/dbraw/zinc/92/90/22/822929022.db2.gz WAIMLQGWOPEKBO-CZUORRHYSA-N 1 2 384.480 4.291 20 0 GIADLO CCOc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc(Cl)c1O ZINC000186665657 822932812 /nfs/dbraw/zinc/93/28/12/822932812.db2.gz OYKGUDMGIGEXAG-UHFFFAOYSA-N 1 2 375.787 4.021 20 0 GIADLO O=C(c1sc2ccccc2c1Br)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000569533771 822935770 /nfs/dbraw/zinc/93/57/70/822935770.db2.gz BROKMNDSPBBJJO-NSHDSACASA-N 1 2 390.306 4.407 20 0 GIADLO C/C(=C/c1ccccc1OC(F)F)C[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000569546661 822938352 /nfs/dbraw/zinc/93/83/52/822938352.db2.gz DCPOEUPTMDEMNU-QINSGFPZSA-N 1 2 395.471 4.227 20 0 GIADLO C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000569546661 822938353 /nfs/dbraw/zinc/93/83/53/822938353.db2.gz DCPOEUPTMDEMNU-QINSGFPZSA-N 1 2 395.471 4.227 20 0 GIADLO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000175355496 822943879 /nfs/dbraw/zinc/94/38/79/822943879.db2.gz KEOAQTUZAAKHKJ-NQIIRXRSSA-N 1 2 378.520 4.160 20 0 GIADLO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175364385 822947154 /nfs/dbraw/zinc/94/71/54/822947154.db2.gz PEFFGVCKWONLTI-OPAMFIHVSA-N 1 2 392.478 4.193 20 0 GIADLO NC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000175371156 822949521 /nfs/dbraw/zinc/94/95/21/822949521.db2.gz XUSFPJKCTZOYIM-UHFFFAOYSA-N 1 2 398.422 4.016 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000186777366 822953776 /nfs/dbraw/zinc/95/37/76/822953776.db2.gz JETXEGWIPBBRPH-SFHVURJKSA-N 1 2 388.393 4.018 20 0 GIADLO C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175389510 822956089 /nfs/dbraw/zinc/95/60/89/822956089.db2.gz GSPBJWAXZHQVCW-AOMKIAJQSA-N 1 2 392.478 4.193 20 0 GIADLO Cc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nn1C(C)(C)C ZINC000055388391 822956528 /nfs/dbraw/zinc/95/65/28/822956528.db2.gz IKIOGXIIRLLFFW-UHFFFAOYSA-N 1 2 377.492 4.399 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175413962 822962948 /nfs/dbraw/zinc/96/29/48/822962948.db2.gz QDRLQSNRYSGRRZ-PWECECGKSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175413962 822962951 /nfs/dbraw/zinc/96/29/51/822962951.db2.gz QDRLQSNRYSGRRZ-PWECECGKSA-N 1 2 378.925 4.017 20 0 GIADLO CC(C)c1ccc(-c2ncc(C[N@@H+]3CCC[C@H](c4n[nH]c(=O)[nH]4)C3)s2)cc1 ZINC000569763505 822965174 /nfs/dbraw/zinc/96/51/74/822965174.db2.gz DHGLIDODOSWEPD-INIZCTEOSA-N 1 2 383.521 4.137 20 0 GIADLO CC(C)c1ccc(-c2ncc(C[N@H+]3CCC[C@H](c4n[nH]c(=O)[nH]4)C3)s2)cc1 ZINC000569763505 822965176 /nfs/dbraw/zinc/96/51/76/822965176.db2.gz DHGLIDODOSWEPD-INIZCTEOSA-N 1 2 383.521 4.137 20 0 GIADLO CC(C)C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000458221044 822970425 /nfs/dbraw/zinc/97/04/25/822970425.db2.gz LRPGLOQIXLNEAT-QGZVFWFLSA-N 1 2 382.430 4.068 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000175470370 822976896 /nfs/dbraw/zinc/97/68/96/822976896.db2.gz RQVKDUDZVLPQRE-UHFFFAOYSA-N 1 2 398.482 4.464 20 0 GIADLO CC(C)[C@@H]([NH2+]Cc1cn2ccc(Br)cc2n1)c1nc2ccccc2[nH]1 ZINC000569860786 822977483 /nfs/dbraw/zinc/97/74/83/822977483.db2.gz KDPNMWHZUFBWRB-GOSISDBHSA-N 1 2 398.308 4.460 20 0 GIADLO O=C(c1cc2cc(Br)ccc2o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000569861976 822977784 /nfs/dbraw/zinc/97/77/84/822977784.db2.gz WFIFQUCBOANXMX-UHFFFAOYSA-N 1 2 399.288 4.153 20 0 GIADLO C[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ncc(Br)cc1F ZINC000186914893 822979387 /nfs/dbraw/zinc/97/93/87/822979387.db2.gz GIGSFMDUCHXLHC-DOMZBBRYSA-N 1 2 382.277 4.064 20 0 GIADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CC1 ZINC000175484527 822980273 /nfs/dbraw/zinc/98/02/73/822980273.db2.gz VULNWDKROSVPKJ-INIZCTEOSA-N 1 2 398.482 4.063 20 0 GIADLO Cc1cc(-c2noc([C@H](c3ccccc3)[NH+]3CCSCC3)n2)cc(C)c1O ZINC000569887908 822980871 /nfs/dbraw/zinc/98/08/71/822980871.db2.gz IAEFRDLMDIONKA-SFHVURJKSA-N 1 2 381.501 4.197 20 0 GIADLO COc1cc(NC(=O)C[NH+]2CCC(c3ccsc3)CC2)c(OC)cc1Cl ZINC000186957444 822986710 /nfs/dbraw/zinc/98/67/10/822986710.db2.gz VYMQRBHNHPAASX-UHFFFAOYSA-N 1 2 394.924 4.237 20 0 GIADLO C[C@H](CC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)n1cc[nH+]c1 ZINC000569931577 822987206 /nfs/dbraw/zinc/98/72/06/822987206.db2.gz DHSWNSCPTGXEJT-QGZVFWFLSA-N 1 2 375.472 4.143 20 0 GIADLO C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000569944825 822988376 /nfs/dbraw/zinc/98/83/76/822988376.db2.gz HGNYCBNFYVIYGS-FTRWYGJKSA-N 1 2 393.462 4.493 20 0 GIADLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000569944828 822988596 /nfs/dbraw/zinc/98/85/96/822988596.db2.gz HGNYCBNFYVIYGS-YRNRMSPPSA-N 1 2 393.462 4.493 20 0 GIADLO CCOc1ccc([C@@H]2CCCN2C(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000569972845 822991774 /nfs/dbraw/zinc/99/17/74/822991774.db2.gz NAZVQBKSYZBBCN-QHCPKHFHSA-N 1 2 389.499 4.236 20 0 GIADLO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)c1 ZINC000569978687 822992572 /nfs/dbraw/zinc/99/25/72/822992572.db2.gz KVHXNZNFUJOOJD-KDOFPFPSSA-N 1 2 386.517 4.253 20 0 GIADLO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC(C)(C)[C@@H]2c2cccs2)c1 ZINC000569978687 822992574 /nfs/dbraw/zinc/99/25/74/822992574.db2.gz KVHXNZNFUJOOJD-KDOFPFPSSA-N 1 2 386.517 4.253 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000186995545 822994131 /nfs/dbraw/zinc/99/41/31/822994131.db2.gz AAYKACKJQZSFRF-QHCPKHFHSA-N 1 2 376.456 4.036 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000186995545 822994135 /nfs/dbraw/zinc/99/41/35/822994135.db2.gz AAYKACKJQZSFRF-QHCPKHFHSA-N 1 2 376.456 4.036 20 0 GIADLO OCCCCCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000175546636 822994883 /nfs/dbraw/zinc/99/48/83/822994883.db2.gz GXGDJHIJRBLSLX-UHFFFAOYSA-N 1 2 394.972 4.161 20 0 GIADLO CC[C@@H](C)[C@@H](C)N(C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000175584362 823002227 /nfs/dbraw/zinc/00/22/27/823002227.db2.gz HZWIUIDALZYDLD-QZTJIDSGSA-N 1 2 386.584 4.330 20 0 GIADLO Cc1onc(-c2cccc(Cl)c2)c1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000570082475 823004324 /nfs/dbraw/zinc/00/43/24/823004324.db2.gz IRFBIHDHONFWMS-HNNXBMFYSA-N 1 2 388.855 4.135 20 0 GIADLO Cc1onc(-c2cccc(Cl)c2)c1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000570082475 823004328 /nfs/dbraw/zinc/00/43/28/823004328.db2.gz IRFBIHDHONFWMS-HNNXBMFYSA-N 1 2 388.855 4.135 20 0 GIADLO COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000570114946 823007103 /nfs/dbraw/zinc/00/71/03/823007103.db2.gz HZDRYMQGSJUHCA-DYESRHJHSA-N 1 2 375.472 4.494 20 0 GIADLO C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000187088119 823008968 /nfs/dbraw/zinc/00/89/68/823008968.db2.gz VLDPZILBWJTDPM-YWZLYKJASA-N 1 2 381.863 4.128 20 0 GIADLO Cc1cnc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(Br)c1 ZINC000570174173 823012561 /nfs/dbraw/zinc/01/25/61/823012561.db2.gz RZTSZYOZXNHOCR-CQSZACIVSA-N 1 2 382.689 4.047 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)n1 ZINC000175659566 823014730 /nfs/dbraw/zinc/01/47/30/823014730.db2.gz CGJFVQYDDWLBQB-HSZRJFAPSA-N 1 2 395.478 4.054 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)cn2c1 ZINC000175667408 823016301 /nfs/dbraw/zinc/01/63/01/823016301.db2.gz RJHSZSXUZWSJCZ-QAPCUYQASA-N 1 2 383.517 4.469 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccccc1OCC(C)C ZINC000187155949 823018561 /nfs/dbraw/zinc/01/85/61/823018561.db2.gz LJTFWKHNXDTZED-UHFFFAOYSA-N 1 2 395.952 4.458 20 0 GIADLO Cc1ccc(C[S@](=O)[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c(C)[nH+]1 ZINC000187162263 823019291 /nfs/dbraw/zinc/01/92/91/823019291.db2.gz VRQLTPXJLWQWQM-CANCMXDXSA-N 1 2 375.881 4.412 20 0 GIADLO CS[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000570366670 823029868 /nfs/dbraw/zinc/02/98/68/823029868.db2.gz DATJSFHNVYKTHA-FQEVSTJZSA-N 1 2 388.964 4.479 20 0 GIADLO CS[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000570366670 823029872 /nfs/dbraw/zinc/02/98/72/823029872.db2.gz DATJSFHNVYKTHA-FQEVSTJZSA-N 1 2 388.964 4.479 20 0 GIADLO C[C@H](NC(=O)CC1CCCCC1)c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000570371838 823030595 /nfs/dbraw/zinc/03/05/95/823030595.db2.gz WFFKUCWSMSTTCL-HNNXBMFYSA-N 1 2 379.464 4.070 20 0 GIADLO Cc1cccc2[nH]c(CCC(=O)Nc3nc(C[N@H+]4CCC[C@@H](C)C4)cs3)nc21 ZINC000175759814 823033417 /nfs/dbraw/zinc/03/34/17/823033417.db2.gz GTBPSVKTGRLNSJ-CQSZACIVSA-N 1 2 397.548 4.131 20 0 GIADLO Cc1cccc2[nH]c(CCC(=O)Nc3nc(C[N@@H+]4CCC[C@@H](C)C4)cs3)nc21 ZINC000175759814 823033420 /nfs/dbraw/zinc/03/34/20/823033420.db2.gz GTBPSVKTGRLNSJ-CQSZACIVSA-N 1 2 397.548 4.131 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[NH2+]C(C)(C)c1cn(-c2ccccc2)nn1 ZINC000187291547 823037847 /nfs/dbraw/zinc/03/78/47/823037847.db2.gz XEGVBAWMZUOQFY-UHFFFAOYSA-N 1 2 399.498 4.363 20 0 GIADLO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1cc(C)[nH+]cc1C ZINC000570450222 823039957 /nfs/dbraw/zinc/03/99/57/823039957.db2.gz OQHNCRLPZLURML-UHFFFAOYSA-N 1 2 375.350 4.355 20 0 GIADLO CCOc1cccc2cc([C@H](C)NC(=O)NCc3ccn4cc[nH+]c4c3)oc21 ZINC000177917095 823545975 /nfs/dbraw/zinc/54/59/75/823545975.db2.gz JAZHPSGZBPBZCY-AWEZNQCLSA-N 1 2 378.432 4.040 20 0 GIADLO Cc1nnc(-c2ccccc2C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)o1 ZINC000177917905 823546113 /nfs/dbraw/zinc/54/61/13/823546113.db2.gz KDZKCBKZDDZZEI-UHFFFAOYSA-N 1 2 399.454 4.497 20 0 GIADLO Cc1nc(CC2CC2)sc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000190178111 823546870 /nfs/dbraw/zinc/54/68/70/823546870.db2.gz GRJIGCZYPODSSK-GFCCVEGCSA-N 1 2 390.578 4.345 20 0 GIADLO Cc1nc(CC2CC2)sc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000190178111 823546874 /nfs/dbraw/zinc/54/68/74/823546874.db2.gz GRJIGCZYPODSSK-GFCCVEGCSA-N 1 2 390.578 4.345 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(Br)ccc2C)c1C ZINC000460943916 823547657 /nfs/dbraw/zinc/54/76/57/823547657.db2.gz PBGHFEBCGYPEOO-UHFFFAOYSA-N 1 2 377.282 4.050 20 0 GIADLO CC(C)C[N@H+](Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S)C1CC1 ZINC000177936754 823548352 /nfs/dbraw/zinc/54/83/52/823548352.db2.gz MFYJZQCVTQELOT-UHFFFAOYSA-N 1 2 383.521 4.195 20 0 GIADLO CC(C)C[N@@H+](Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S)C1CC1 ZINC000177936754 823548353 /nfs/dbraw/zinc/54/83/53/823548353.db2.gz MFYJZQCVTQELOT-UHFFFAOYSA-N 1 2 383.521 4.195 20 0 GIADLO C[C@@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccc(F)c(F)c1 ZINC000460965058 823552123 /nfs/dbraw/zinc/55/21/23/823552123.db2.gz BQPLYVHKHIINPB-CYBMUJFWSA-N 1 2 379.476 4.395 20 0 GIADLO COC(=O)c1cc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000411193679 823555993 /nfs/dbraw/zinc/55/59/93/823555993.db2.gz SPDHGBMZYHSAKK-UHFFFAOYSA-N 1 2 377.893 4.283 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c(C)[nH+]1 ZINC000411204003 823557174 /nfs/dbraw/zinc/55/71/74/823557174.db2.gz UDNPQMCIAONZES-AWEZNQCLSA-N 1 2 393.409 4.184 20 0 GIADLO CC[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000123980961 823557589 /nfs/dbraw/zinc/55/75/89/823557589.db2.gz WPXJNNVFLYGIGI-FQEVSTJZSA-N 1 2 384.430 4.160 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c(C)[nH+]1 ZINC000411228766 823558988 /nfs/dbraw/zinc/55/89/88/823558988.db2.gz RSMIGBLUZYMJDS-HXUWFJFHSA-N 1 2 390.487 4.180 20 0 GIADLO O=C(NC(c1cccs1)c1cccs1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000124004053 823559100 /nfs/dbraw/zinc/55/91/00/823559100.db2.gz JERIWNKARZQENO-UHFFFAOYSA-N 1 2 398.557 4.262 20 0 GIADLO CC(=O)N(c1nc(C[NH2+]Cc2cc(Br)ccc2C)cs1)C1CC1 ZINC000190297076 823560143 /nfs/dbraw/zinc/56/01/43/823560143.db2.gz ITNLZIMQFRJLIR-UHFFFAOYSA-N 1 2 394.338 4.019 20 0 GIADLO O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000461032848 823562527 /nfs/dbraw/zinc/56/25/27/823562527.db2.gz XMZHJURRHLRWNG-UHFFFAOYSA-N 1 2 381.848 4.297 20 0 GIADLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccccc3-c3ccccc3)CCCC2)no1 ZINC000411290847 823562571 /nfs/dbraw/zinc/56/25/71/823562571.db2.gz KNGFBYAVIRMVIU-UHFFFAOYSA-N 1 2 390.487 4.433 20 0 GIADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(Br)cc1Cl ZINC000060875225 823564050 /nfs/dbraw/zinc/56/40/50/823564050.db2.gz DDDIABLULIBVPV-LLVKDONJSA-N 1 2 394.700 4.293 20 0 GIADLO C[C@H](Cc1cccs1)[N@H+](Cc1nnnn1C1CC1)Cc1ccc(Cl)cc1 ZINC000060876493 823564086 /nfs/dbraw/zinc/56/40/86/823564086.db2.gz NGUAHFBOOTVICP-CQSZACIVSA-N 1 2 387.940 4.356 20 0 GIADLO C[C@H](Cc1cccs1)[N@@H+](Cc1nnnn1C1CC1)Cc1ccc(Cl)cc1 ZINC000060876493 823564090 /nfs/dbraw/zinc/56/40/90/823564090.db2.gz NGUAHFBOOTVICP-CQSZACIVSA-N 1 2 387.940 4.356 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)CC[C@@H](C)c3ccccc3)CCCC2)no1 ZINC000124066316 823564603 /nfs/dbraw/zinc/56/46/03/823564603.db2.gz JHXRPDPGIYNOEE-GOSISDBHSA-N 1 2 398.551 4.381 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(OC(F)F)cc3)CCCC2)no1 ZINC000124064960 823564685 /nfs/dbraw/zinc/56/46/85/823564685.db2.gz QLCDJUILVAWENI-UHFFFAOYSA-N 1 2 394.466 4.072 20 0 GIADLO CCOc1cc(C[NH2+][C@H](c2ccccn2)c2ccccc2OC)ccc1OC ZINC000124098384 823567462 /nfs/dbraw/zinc/56/74/62/823567462.db2.gz AESFBSOWSMRDLL-QHCPKHFHSA-N 1 2 378.472 4.377 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(Cc2cccc(F)c2)C2CCCC2)c(C)[nH+]1 ZINC000411383805 823568204 /nfs/dbraw/zinc/56/82/04/823568204.db2.gz MNZIRUDCUXEJEG-UHFFFAOYSA-N 1 2 383.467 4.056 20 0 GIADLO CC[N@@H+](Cc1c[nH]c2ccccc12)CN1C(=S)N=NC1Cc1cccs1 ZINC000190387083 823568469 /nfs/dbraw/zinc/56/84/69/823568469.db2.gz UOEMFEAZCLPSMP-UHFFFAOYSA-N 1 2 383.546 4.180 20 0 GIADLO CC[N@H+](Cc1c[nH]c2ccccc12)CN1C(=S)N=NC1Cc1cccs1 ZINC000190387083 823568472 /nfs/dbraw/zinc/56/84/72/823568472.db2.gz UOEMFEAZCLPSMP-UHFFFAOYSA-N 1 2 383.546 4.180 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCSC[C@@H](C)C2)cs1)c1ccc(C)cc1 ZINC000190413467 823570567 /nfs/dbraw/zinc/57/05/67/823570567.db2.gz OYQPWXBZHRRDEI-HNNXBMFYSA-N 1 2 375.563 4.321 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCSC[C@@H](C)C2)cs1)c1ccc(C)cc1 ZINC000190413467 823570570 /nfs/dbraw/zinc/57/05/70/823570570.db2.gz OYQPWXBZHRRDEI-HNNXBMFYSA-N 1 2 375.563 4.321 20 0 GIADLO CC(=O)Oc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000124151134 823572132 /nfs/dbraw/zinc/57/21/32/823572132.db2.gz GZJXEUJFKHUPCH-IBGZPJMESA-N 1 2 379.378 4.204 20 0 GIADLO CC(=O)Oc1ccc(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000124151134 823572135 /nfs/dbraw/zinc/57/21/35/823572135.db2.gz GZJXEUJFKHUPCH-IBGZPJMESA-N 1 2 379.378 4.204 20 0 GIADLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000190431665 823572911 /nfs/dbraw/zinc/57/29/11/823572911.db2.gz XNTVSLMYZWMISC-LLVKDONJSA-N 1 2 391.313 4.112 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](C)c3ccc(F)c(F)c3)CC2)s1 ZINC000461086879 823574075 /nfs/dbraw/zinc/57/40/75/823574075.db2.gz JRQZFTOBGLXABA-CQSZACIVSA-N 1 2 378.488 4.037 20 0 GIADLO OCC[C@H]([NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)c1ccccc1 ZINC000411444437 823574860 /nfs/dbraw/zinc/57/48/60/823574860.db2.gz KIKCZEOVFHOSRR-NSHDSACASA-N 1 2 392.190 4.219 20 0 GIADLO C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000061051289 823575495 /nfs/dbraw/zinc/57/54/95/823575495.db2.gz JOUYDNMRCDNRAL-OAHLLOKOSA-N 1 2 390.478 4.217 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000190465043 823578149 /nfs/dbraw/zinc/57/81/49/823578149.db2.gz KGBUGCLCPUSLEA-QGZVFWFLSA-N 1 2 395.507 4.283 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](CC)c1cc(F)ccc1F ZINC000190470062 823578673 /nfs/dbraw/zinc/57/86/73/823578673.db2.gz HFPIOWQMELGUSP-SFHVURJKSA-N 1 2 378.467 4.297 20 0 GIADLO COc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c(C)c1 ZINC000461107476 823578860 /nfs/dbraw/zinc/57/88/60/823578860.db2.gz JJLAEJCAKVGNHG-KRWDZBQOSA-N 1 2 390.886 4.191 20 0 GIADLO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c(C)c1 ZINC000461107476 823578864 /nfs/dbraw/zinc/57/88/64/823578864.db2.gz JJLAEJCAKVGNHG-KRWDZBQOSA-N 1 2 390.886 4.191 20 0 GIADLO C[C@H](c1cccc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)c1)[NH+]1CCOCC1 ZINC000461117369 823580663 /nfs/dbraw/zinc/58/06/63/823580663.db2.gz TXANVBPGAIMBMY-MRXNPFEDSA-N 1 2 393.462 4.466 20 0 GIADLO CC[C@H]([NH2+]Cc1csc(CC(=O)Nc2ccccc2C)n1)c1c(C)noc1C ZINC000411513361 823582917 /nfs/dbraw/zinc/58/29/17/823582917.db2.gz CXTHDZHDRDSFHW-KRWDZBQOSA-N 1 2 398.532 4.478 20 0 GIADLO CC(C)OC(=O)[C@H](C)C[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000124311948 823586240 /nfs/dbraw/zinc/58/62/40/823586240.db2.gz HCGBIQJNMUZQGV-VQIMIIECSA-N 1 2 379.460 4.003 20 0 GIADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000411544456 823586889 /nfs/dbraw/zinc/58/68/89/823586889.db2.gz OEFWXTDGCAMBCH-GFCCVEGCSA-N 1 2 398.580 4.263 20 0 GIADLO Cc1ccc([C@H]([NH2+]CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c2ccccn2)cc1 ZINC000411657375 823595091 /nfs/dbraw/zinc/59/50/91/823595091.db2.gz GSUVCAYEUQASFO-UCFCWBNQSA-N 1 2 377.532 4.250 20 0 GIADLO CCc1nnc(C2CC[NH+]([C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)CC2)[nH]1 ZINC000190655506 823595567 /nfs/dbraw/zinc/59/55/67/823595567.db2.gz REDAKTCVOPXPKZ-LBPRGKRZSA-N 1 2 386.887 4.011 20 0 GIADLO CCc1n[nH]c(C2CC[NH+]([C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)CC2)n1 ZINC000190655506 823595570 /nfs/dbraw/zinc/59/55/70/823595570.db2.gz REDAKTCVOPXPKZ-LBPRGKRZSA-N 1 2 386.887 4.011 20 0 GIADLO CCc1nc(C2CC[NH+]([C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)CC2)n[nH]1 ZINC000190655506 823595573 /nfs/dbraw/zinc/59/55/73/823595573.db2.gz REDAKTCVOPXPKZ-LBPRGKRZSA-N 1 2 386.887 4.011 20 0 GIADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCn3c[nH+]cc3C2)c(C)c1 ZINC000461197041 823596933 /nfs/dbraw/zinc/59/69/33/823596933.db2.gz ROPVUTQUBZHUEN-UHFFFAOYSA-N 1 2 397.482 4.009 20 0 GIADLO Cc1cc(OCCCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000124469385 823599280 /nfs/dbraw/zinc/59/92/80/823599280.db2.gz NUILHNVYSBPXBK-HNAYVOBHSA-N 1 2 375.900 4.114 20 0 GIADLO Cn1cc(CNc2[nH+]c3ccccc3n2CCCc2ccccc2)c(C(F)F)n1 ZINC000461221016 823600919 /nfs/dbraw/zinc/60/09/19/823600919.db2.gz MZTNPLGRKIFDMR-UHFFFAOYSA-N 1 2 395.457 4.374 20 0 GIADLO O=C(CCSc1ccc2c(c1)OCCCO2)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000124547365 823605241 /nfs/dbraw/zinc/60/52/41/823605241.db2.gz POKZLSKHGDNMCQ-UHFFFAOYSA-N 1 2 395.484 4.155 20 0 GIADLO COCCN(C(C)=O)c1nc(C[N@@H+]2CCCC[C@H]2c2ccc(C)cc2)cs1 ZINC000124548798 823605492 /nfs/dbraw/zinc/60/54/92/823605492.db2.gz HJEBTKQHSFRWHN-FQEVSTJZSA-N 1 2 387.549 4.178 20 0 GIADLO COCCN(C(C)=O)c1nc(C[N@H+]2CCCC[C@H]2c2ccc(C)cc2)cs1 ZINC000124548798 823605496 /nfs/dbraw/zinc/60/54/96/823605496.db2.gz HJEBTKQHSFRWHN-FQEVSTJZSA-N 1 2 387.549 4.178 20 0 GIADLO CC1(C)CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[C@@H]1C(F)(F)F ZINC000190781789 823608279 /nfs/dbraw/zinc/60/82/79/823608279.db2.gz QOYBVISKANIFNV-INIZCTEOSA-N 1 2 398.473 4.192 20 0 GIADLO O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000190789083 823609137 /nfs/dbraw/zinc/60/91/37/823609137.db2.gz BTYSXGRJWLXAKF-UHFFFAOYSA-N 1 2 397.731 4.069 20 0 GIADLO Cc1nc(NC(=O)C[NH2+][C@@H](C)c2nccs2)sc1Cc1ccc(C)cc1 ZINC000411882094 823612519 /nfs/dbraw/zinc/61/25/19/823612519.db2.gz RRRXRQMXASFWIK-AWEZNQCLSA-N 1 2 386.546 4.097 20 0 GIADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000124640998 823613447 /nfs/dbraw/zinc/61/34/47/823613447.db2.gz NVTXOPLLOMARTH-UHFFFAOYSA-N 1 2 382.423 4.326 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccccc2COc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000124657305 823614826 /nfs/dbraw/zinc/61/48/26/823614826.db2.gz UQMGUFAGDRWELL-AVRDEDQJSA-N 1 2 375.472 4.185 20 0 GIADLO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000411948537 823615934 /nfs/dbraw/zinc/61/59/34/823615934.db2.gz RBHRHWOKRUXACS-UHFFFAOYSA-N 1 2 376.378 4.252 20 0 GIADLO CC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000411948537 823615937 /nfs/dbraw/zinc/61/59/37/823615937.db2.gz RBHRHWOKRUXACS-UHFFFAOYSA-N 1 2 376.378 4.252 20 0 GIADLO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000124701837 823618939 /nfs/dbraw/zinc/61/89/39/823618939.db2.gz JMZDUJYVENMMET-UHFFFAOYSA-N 1 2 397.544 4.044 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411994671 823619176 /nfs/dbraw/zinc/61/91/76/823619176.db2.gz AVGDQPMLCFXQIG-FOIQADDNSA-N 1 2 386.442 4.146 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411994671 823619178 /nfs/dbraw/zinc/61/91/78/823619178.db2.gz AVGDQPMLCFXQIG-FOIQADDNSA-N 1 2 386.442 4.146 20 0 GIADLO C[C@H](c1cccc(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)c1)[NH+]1CCOCC1 ZINC000412018906 823623061 /nfs/dbraw/zinc/62/30/61/823623061.db2.gz GNVWSMKBTOCALC-HXOBKFHXSA-N 1 2 394.515 4.308 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H](CO)[C@H]2C)cs1)c1cccc(C)c1C ZINC000412074676 823625745 /nfs/dbraw/zinc/62/57/45/823625745.db2.gz IRBDVFQWBKNVSD-SJLPKXTDSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)cs1)c1cccc(C)c1C ZINC000412074676 823625749 /nfs/dbraw/zinc/62/57/49/823625749.db2.gz IRBDVFQWBKNVSD-SJLPKXTDSA-N 1 2 387.549 4.037 20 0 GIADLO COc1cc(C[NH2+][C@@H](c2nc(-c3ccccc3)no2)C(C)C)cc(OC)c1OC ZINC000062258000 823626649 /nfs/dbraw/zinc/62/66/49/823626649.db2.gz XNLUHNKLASZOGE-LJQANCHMSA-N 1 2 397.475 4.249 20 0 GIADLO C[C@@H]([NH2+]Cc1sc(Sc2ccccc2)nc1Cl)C(=O)NC(C)(C)C ZINC000062258358 823626956 /nfs/dbraw/zinc/62/69/56/823626956.db2.gz DDTMZFKFGLAOJM-LLVKDONJSA-N 1 2 383.970 4.341 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000412146998 823630291 /nfs/dbraw/zinc/63/02/91/823630291.db2.gz GDKLFQMMCAQOFZ-NZQKXSOJSA-N 1 2 381.495 4.031 20 0 GIADLO CC(C)(C)n1cc(C[NH2+][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)nn1 ZINC000190983019 823634253 /nfs/dbraw/zinc/63/42/53/823634253.db2.gz VFPCGMWNUVFOOO-QFIPXVFZSA-N 1 2 376.504 4.237 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000412235180 823638328 /nfs/dbraw/zinc/63/83/28/823638328.db2.gz RMFBNAQVBYILNP-ZBFHGGJFSA-N 1 2 376.850 4.412 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000412235180 823638331 /nfs/dbraw/zinc/63/83/31/823638331.db2.gz RMFBNAQVBYILNP-ZBFHGGJFSA-N 1 2 376.850 4.412 20 0 GIADLO CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)cc1 ZINC000125130305 823653856 /nfs/dbraw/zinc/65/38/56/823653856.db2.gz MXEYVSCOPDJJOG-UHFFFAOYSA-N 1 2 389.455 4.355 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000191149417 823653866 /nfs/dbraw/zinc/65/38/66/823653866.db2.gz IZMYBYYUMWLFAL-HOTGVXAUSA-N 1 2 387.549 4.178 20 0 GIADLO C[C@H]([NH2+]C1(CNCc2c(O)ccc(Cl)c2F)CCOCC1)c1ccccc1 ZINC000191153582 823654228 /nfs/dbraw/zinc/65/42/28/823654228.db2.gz NVZVSORYZSZKIK-HNNXBMFYSA-N 1 2 392.902 4.174 20 0 GIADLO COc1cc(CCC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000125160859 823655821 /nfs/dbraw/zinc/65/58/21/823655821.db2.gz TVVRPAJTDZKEHC-OAHLLOKOSA-N 1 2 383.879 4.344 20 0 GIADLO Cc1ccc(C(C)(C)CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000125212088 823659508 /nfs/dbraw/zinc/65/95/08/823659508.db2.gz PRMPQDOABQIMOR-UHFFFAOYSA-N 1 2 375.516 4.266 20 0 GIADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125235949 823661237 /nfs/dbraw/zinc/66/12/37/823661237.db2.gz IWDWZHOPSXBAEE-HNNXBMFYSA-N 1 2 384.430 4.112 20 0 GIADLO C[C@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccc(Br)cc1 ZINC000125270752 823663805 /nfs/dbraw/zinc/66/38/05/823663805.db2.gz NOCDPBFPAYXJTQ-OAHLLOKOSA-N 1 2 390.325 4.346 20 0 GIADLO Cc1cccc(C(C)(C)CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000063336131 823663931 /nfs/dbraw/zinc/66/39/31/823663931.db2.gz OKBACDOPOJSGPG-UHFFFAOYSA-N 1 2 376.504 4.017 20 0 GIADLO Cc1cccc2c(CC(=O)Nc3ccccc3C[NH+]3C[C@H](C)O[C@@H](C)C3)c[nH]c21 ZINC000125281652 823664593 /nfs/dbraw/zinc/66/45/93/823664593.db2.gz SOAZXHLRNRGDET-ROUUACIJSA-N 1 2 391.515 4.267 20 0 GIADLO O=C(N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000412587637 823664736 /nfs/dbraw/zinc/66/47/36/823664736.db2.gz DUTVLMYSJVSBNO-NQIIRXRSSA-N 1 2 398.934 4.238 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(Cc2ccccc2)C2CC2)C[C@H](C)O1 ZINC000125283818 823664914 /nfs/dbraw/zinc/66/49/14/823664914.db2.gz RPKPFNJXELCIKO-OALUTQOASA-N 1 2 393.531 4.492 20 0 GIADLO O=C(NCC1(c2c(F)cccc2F)CCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000412598403 823665172 /nfs/dbraw/zinc/66/51/72/823665172.db2.gz HGWWMOGPEVNDOC-UHFFFAOYSA-N 1 2 381.426 4.061 20 0 GIADLO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125308755 823666754 /nfs/dbraw/zinc/66/67/54/823666754.db2.gz RILQLPQBGVSJTF-UWJYYQICSA-N 1 2 392.478 4.158 20 0 GIADLO Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)n1 ZINC000461592223 823667204 /nfs/dbraw/zinc/66/72/04/823667204.db2.gz TXBXDYHBCOMDAL-IBGZPJMESA-N 1 2 399.498 4.225 20 0 GIADLO Cc1ccc([C@H](C)[N@H+](C)Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)cc1 ZINC000063505286 823676737 /nfs/dbraw/zinc/67/67/37/823676737.db2.gz PUZLBHLNBORTAH-HNNXBMFYSA-N 1 2 388.512 4.331 20 0 GIADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)cc1 ZINC000063505286 823676739 /nfs/dbraw/zinc/67/67/39/823676739.db2.gz PUZLBHLNBORTAH-HNNXBMFYSA-N 1 2 388.512 4.331 20 0 GIADLO Cc1ccc(-c2csc(NC(=O)C[N@H+](Cc3ccccn3)C(C)C)n2)cc1 ZINC000063524199 823677552 /nfs/dbraw/zinc/67/75/52/823677552.db2.gz IWUWEVAHLAPBNM-UHFFFAOYSA-N 1 2 380.517 4.363 20 0 GIADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+](Cc3ccccn3)C(C)C)n2)cc1 ZINC000063524199 823677554 /nfs/dbraw/zinc/67/75/54/823677554.db2.gz IWUWEVAHLAPBNM-UHFFFAOYSA-N 1 2 380.517 4.363 20 0 GIADLO Brc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2c2ccncc2)o1 ZINC000125475853 823679293 /nfs/dbraw/zinc/67/92/93/823679293.db2.gz PGQPPZQVDQBNNT-INIZCTEOSA-N 1 2 385.265 4.231 20 0 GIADLO Brc1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2c2ccncc2)o1 ZINC000125475853 823679294 /nfs/dbraw/zinc/67/92/94/823679294.db2.gz PGQPPZQVDQBNNT-INIZCTEOSA-N 1 2 385.265 4.231 20 0 GIADLO CC(C)Cc1nc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cs1 ZINC000063656543 823687207 /nfs/dbraw/zinc/68/72/07/823687207.db2.gz VDNYSWPUIPXVJO-UHFFFAOYSA-N 1 2 378.567 4.282 20 0 GIADLO COc1cc(OC)cc(-c2nnc(SCc3ccc(-n4cc[nH+]c4)cc3)o2)c1 ZINC000191466733 823688297 /nfs/dbraw/zinc/68/82/97/823688297.db2.gz RTXGRKJPFJGGLW-UHFFFAOYSA-N 1 2 394.456 4.232 20 0 GIADLO C[N@H+](Cc1coc(-c2cccs2)n1)[C@H](CO)c1cccc(Br)c1 ZINC000125617224 823690464 /nfs/dbraw/zinc/69/04/64/823690464.db2.gz DEYUUMYHEGTILL-OAHLLOKOSA-N 1 2 393.306 4.331 20 0 GIADLO C[N@@H+](Cc1coc(-c2cccs2)n1)[C@H](CO)c1cccc(Br)c1 ZINC000125617224 823690466 /nfs/dbraw/zinc/69/04/66/823690466.db2.gz DEYUUMYHEGTILL-OAHLLOKOSA-N 1 2 393.306 4.331 20 0 GIADLO CCCC[N@@H+](Cc1ccccc1F)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063730388 823692483 /nfs/dbraw/zinc/69/24/83/823692483.db2.gz ULYOOFYROSLWNF-UHFFFAOYSA-N 1 2 383.427 4.252 20 0 GIADLO CCCC[N@H+](Cc1ccccc1F)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063730388 823692486 /nfs/dbraw/zinc/69/24/86/823692486.db2.gz ULYOOFYROSLWNF-UHFFFAOYSA-N 1 2 383.427 4.252 20 0 GIADLO CCCC[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccccc1F ZINC000063755109 823693747 /nfs/dbraw/zinc/69/37/47/823693747.db2.gz WHUUPKJLLVBHRP-UHFFFAOYSA-N 1 2 394.512 4.006 20 0 GIADLO CCCC[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccccc1F ZINC000063755109 823693749 /nfs/dbraw/zinc/69/37/49/823693749.db2.gz WHUUPKJLLVBHRP-UHFFFAOYSA-N 1 2 394.512 4.006 20 0 GIADLO CCc1nnc(C[NH+]2CCC(c3nc(-c4ccccc4OC)cs3)CC2)o1 ZINC000191517272 823694395 /nfs/dbraw/zinc/69/43/95/823694395.db2.gz LRUWEZXWCQSHAQ-UHFFFAOYSA-N 1 2 384.505 4.144 20 0 GIADLO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000461788296 823695493 /nfs/dbraw/zinc/69/54/93/823695493.db2.gz KDRNXDRGSQNDEK-NRFANRHFSA-N 1 2 397.906 4.305 20 0 GIADLO C[C@@H](c1nnc(SC[C@@H]2CCC(C)(C)O2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000412980435 823696509 /nfs/dbraw/zinc/69/65/09/823696509.db2.gz DYFUOUNOJJBCPN-BBRMVZONSA-N 1 2 378.517 4.079 20 0 GIADLO C[C@@H](c1nnc(SCCC2(O)CCC2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000412982111 823697126 /nfs/dbraw/zinc/69/71/26/823697126.db2.gz IBPWPBJQUKZZCL-KRWDZBQOSA-N 1 2 386.565 4.211 20 0 GIADLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000125694887 823697413 /nfs/dbraw/zinc/69/74/13/823697413.db2.gz UUSSIBPSWZNVTM-PMACEKPBSA-N 1 2 383.561 4.011 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cn(C)nc3-c3cccs3)n2)c1 ZINC000191566525 823701101 /nfs/dbraw/zinc/70/11/01/823701101.db2.gz BHMQAJOPXMYZGU-CYBMUJFWSA-N 1 2 395.488 4.058 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3c(C4CC4)nc4sccn34)n2)c1 ZINC000191567116 823701109 /nfs/dbraw/zinc/70/11/09/823701109.db2.gz TUVXVFNFRAKQIL-GFCCVEGCSA-N 1 2 395.488 4.183 20 0 GIADLO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000191571853 823702182 /nfs/dbraw/zinc/70/21/82/823702182.db2.gz XIJONOBYYDHOSE-NEPJUHHUSA-N 1 2 398.429 4.454 20 0 GIADLO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc(C2CCCCC2)no1 ZINC000191579236 823703463 /nfs/dbraw/zinc/70/34/63/823703463.db2.gz KTMARJGFDKSTNP-HOCLYGCPSA-N 1 2 378.517 4.167 20 0 GIADLO Cc1ccc(NC(=O)C[NH+]2CCC(OCCc3ccccc3)CC2)c(Cl)c1 ZINC000125754138 823704438 /nfs/dbraw/zinc/70/44/38/823704438.db2.gz HXAJZGNDGIWLIP-UHFFFAOYSA-N 1 2 386.923 4.311 20 0 GIADLO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191597191 823707476 /nfs/dbraw/zinc/70/74/76/823707476.db2.gz NLBLQLRUAMYSBT-IRXDYDNUSA-N 1 2 392.503 4.291 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000125778419 823708258 /nfs/dbraw/zinc/70/82/58/823708258.db2.gz XFFMEFLLLLUUPV-LPHOPBHVSA-N 1 2 398.869 4.079 20 0 GIADLO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000574360995 823708464 /nfs/dbraw/zinc/70/84/64/823708464.db2.gz FKNBCJQDUGWQDU-YPMLDQLKSA-N 1 2 379.357 4.343 20 0 GIADLO CN(Cc1nccn1CC(F)(F)F)c1[nH+]ccc2cc(Br)ccc21 ZINC000413118014 823710149 /nfs/dbraw/zinc/71/01/49/823710149.db2.gz KIUOZLFJYLOJIX-UHFFFAOYSA-N 1 2 399.214 4.393 20 0 GIADLO Cc1ccc(-c2nc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)cs2)c(C)c1 ZINC000063930369 823714412 /nfs/dbraw/zinc/71/44/12/823714412.db2.gz CPPSOQWENAJNGC-UHFFFAOYSA-N 1 2 392.528 4.221 20 0 GIADLO CC1(C)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000191625098 823717446 /nfs/dbraw/zinc/71/74/46/823717446.db2.gz AJGWQZUFHSENLV-INIZCTEOSA-N 1 2 398.404 4.131 20 0 GIADLO CC1(C)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[C@H]1C(F)(F)F ZINC000191625115 823717590 /nfs/dbraw/zinc/71/75/90/823717590.db2.gz AJGWQZUFHSENLV-MRXNPFEDSA-N 1 2 398.404 4.131 20 0 GIADLO C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(Br)cc1F ZINC000125842489 823726088 /nfs/dbraw/zinc/72/60/88/823726088.db2.gz UEMGDGLWUBYYRX-LBPRGKRZSA-N 1 2 375.245 4.020 20 0 GIADLO Cc1cc(C)cc(OCc2noc(C[NH+]3CCC(c4ccncc4)CC3)n2)c1 ZINC000191670771 823728711 /nfs/dbraw/zinc/72/87/11/823728711.db2.gz PZTBXMQYBLBMGZ-UHFFFAOYSA-N 1 2 378.476 4.040 20 0 GIADLO C[C@@H]1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)C[C@H]1n1cc[nH+]c1 ZINC000125871067 823733329 /nfs/dbraw/zinc/73/33/29/823733329.db2.gz JSFHQWRPGHVQOI-CXAGYDPISA-N 1 2 386.908 4.383 20 0 GIADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cnn(-c2ccccc2Cl)c1 ZINC000574460635 823736071 /nfs/dbraw/zinc/73/60/71/823736071.db2.gz YZJUUHHJNHQDDT-QAQDUYKDSA-N 1 2 395.894 4.074 20 0 GIADLO COCCCC[N@@H+](Cc1ccccc1)Cn1nc(-c2ccccc2)[nH]c1=S ZINC000064029064 823737223 /nfs/dbraw/zinc/73/72/23/823737223.db2.gz LKLYLIACSLGXBK-UHFFFAOYSA-N 1 2 382.533 4.494 20 0 GIADLO COCCCC[N@H+](Cc1ccccc1)Cn1nc(-c2ccccc2)[nH]c1=S ZINC000064029064 823737229 /nfs/dbraw/zinc/73/72/29/823737229.db2.gz LKLYLIACSLGXBK-UHFFFAOYSA-N 1 2 382.533 4.494 20 0 GIADLO COc1cc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC(C)C ZINC000125892954 823738756 /nfs/dbraw/zinc/73/87/56/823738756.db2.gz CZNHJLGWFCLXMP-MRXNPFEDSA-N 1 2 391.533 4.079 20 0 GIADLO COc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC(C)C ZINC000125892954 823738764 /nfs/dbraw/zinc/73/87/64/823738764.db2.gz CZNHJLGWFCLXMP-MRXNPFEDSA-N 1 2 391.533 4.079 20 0 GIADLO C[C@@H]1CCc2ccccc2N1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000461886636 823738765 /nfs/dbraw/zinc/73/87/65/823738765.db2.gz BYPCPTKHMOWGNW-MRXNPFEDSA-N 1 2 378.451 4.181 20 0 GIADLO O[C@@H]([C@@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1)C(F)(F)F ZINC000413267454 823741555 /nfs/dbraw/zinc/74/15/55/823741555.db2.gz POCBOUCADBJUCU-RISCZKNCSA-N 1 2 389.215 4.137 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc(F)c4ccccc43)[nH+]cn2)C1 ZINC000413295187 823747245 /nfs/dbraw/zinc/74/72/45/823747245.db2.gz GTAGKXFCYSUWOK-XHSDSOJGSA-N 1 2 380.467 4.149 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc(F)c4ccccc43)nc[nH+]2)C1 ZINC000413295187 823747250 /nfs/dbraw/zinc/74/72/50/823747250.db2.gz GTAGKXFCYSUWOK-XHSDSOJGSA-N 1 2 380.467 4.149 20 0 GIADLO C[N@H+](Cc1nccn1C(F)F)Cc1cc(Br)cc2cccnc21 ZINC000163780819 823748079 /nfs/dbraw/zinc/74/80/79/823748079.db2.gz RHKPQBJMNPWGQL-UHFFFAOYSA-N 1 2 381.224 4.221 20 0 GIADLO C[N@@H+](Cc1nccn1C(F)F)Cc1cc(Br)cc2cccnc21 ZINC000163780819 823748085 /nfs/dbraw/zinc/74/80/85/823748085.db2.gz RHKPQBJMNPWGQL-UHFFFAOYSA-N 1 2 381.224 4.221 20 0 GIADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000574501779 823750108 /nfs/dbraw/zinc/75/01/08/823750108.db2.gz CISNFKYEVXLARP-ZDUSSCGKSA-N 1 2 398.919 4.191 20 0 GIADLO Clc1cnn([C@@H]2CCN(c3[nH+]ccc4cc(Br)ccc43)C2)c1 ZINC000413313553 823750591 /nfs/dbraw/zinc/75/05/91/823750591.db2.gz RYBMPYZMDKQDMU-CQSZACIVSA-N 1 2 377.673 4.299 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N[C@@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000413325434 823752991 /nfs/dbraw/zinc/75/29/91/823752991.db2.gz VQFAQRARYZPYEM-SJLPKXTDSA-N 1 2 384.277 4.146 20 0 GIADLO Clc1cccc(-c2ccc(CN3CC[NH+](CCn4cccn4)CC3)s2)c1 ZINC000064140913 823754199 /nfs/dbraw/zinc/75/41/99/823754199.db2.gz RYPHKFUTDBJHCB-UHFFFAOYSA-N 1 2 386.952 4.083 20 0 GIADLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(SCCCSC)c2c1C ZINC000413335542 823755161 /nfs/dbraw/zinc/75/51/61/823755161.db2.gz PVIZYRDWJQJYDE-UHFFFAOYSA-N 1 2 399.607 4.083 20 0 GIADLO Cc1cc(Br)ccc1Cc1noc([C@H](c2ccccc2)[NH+](C)C)n1 ZINC000574555530 823764042 /nfs/dbraw/zinc/76/40/42/823764042.db2.gz CYEFCIHDQCHQLA-SFHVURJKSA-N 1 2 386.293 4.382 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cnn1-c1ccc(F)cc1 ZINC000164042705 823773127 /nfs/dbraw/zinc/77/31/27/823773127.db2.gz MSNAOIQPHUQPFD-HZPDHXFCSA-N 1 2 390.466 4.312 20 0 GIADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(-c2ccc(Br)cc2)n1 ZINC000574608144 823779359 /nfs/dbraw/zinc/77/93/59/823779359.db2.gz MFCKPYRUXJLKPK-GASCZTMLSA-N 1 2 377.307 4.269 20 0 GIADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(-c2ccc(Br)cc2)n1 ZINC000574608144 823779361 /nfs/dbraw/zinc/77/93/61/823779361.db2.gz MFCKPYRUXJLKPK-GASCZTMLSA-N 1 2 377.307 4.269 20 0 GIADLO CC(C)(C)c1nc(CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cs1 ZINC000574608530 823779560 /nfs/dbraw/zinc/77/95/60/823779560.db2.gz XISXOGKIBWXHCQ-UHFFFAOYSA-N 1 2 388.924 4.139 20 0 GIADLO C[N@@H+]1CCc2ncnc(N3CCC(c4cccc(Cl)c4Cl)CC3)c2C1 ZINC000461979704 823780591 /nfs/dbraw/zinc/78/05/91/823780591.db2.gz BBOXFUZZOYYZSY-UHFFFAOYSA-N 1 2 377.319 4.155 20 0 GIADLO C[N@H+]1CCc2ncnc(N3CCC(c4cccc(Cl)c4Cl)CC3)c2C1 ZINC000461979704 823780594 /nfs/dbraw/zinc/78/05/94/823780594.db2.gz BBOXFUZZOYYZSY-UHFFFAOYSA-N 1 2 377.319 4.155 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000126074624 823780952 /nfs/dbraw/zinc/78/09/52/823780952.db2.gz WHGZXOFXXRRJRH-UHFFFAOYSA-N 1 2 394.446 4.479 20 0 GIADLO C[C@]1(Cc2ccccc2)CCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000462005586 823791870 /nfs/dbraw/zinc/79/18/70/823791870.db2.gz JWUJXCSDMNRLTN-XMMPIXPASA-N 1 2 388.515 4.238 20 0 GIADLO COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000126118945 823792692 /nfs/dbraw/zinc/79/26/92/823792692.db2.gz PHAWNIYIROSXDZ-KXBFYZLASA-N 1 2 398.894 4.059 20 0 GIADLO CCCCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000462009567 823793447 /nfs/dbraw/zinc/79/34/47/823793447.db2.gz WIGHNNGPTFEBGX-NHCUHLMSSA-N 1 2 398.551 4.057 20 0 GIADLO C[C@H]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H](c2ccco2)C1 ZINC000462012345 823794245 /nfs/dbraw/zinc/79/42/45/823794245.db2.gz WJBJLKBWOZJSNC-FXAWDEMLSA-N 1 2 378.476 4.207 20 0 GIADLO O=C(Nc1nnc(-c2cc3ccccc3o2)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000191846997 823794672 /nfs/dbraw/zinc/79/46/72/823794672.db2.gz VWCSGFABZWFLKL-UHFFFAOYSA-N 1 2 387.424 4.389 20 0 GIADLO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000462020352 823797352 /nfs/dbraw/zinc/79/73/52/823797352.db2.gz LAQBWIDVIYVIQC-QFIPXVFZSA-N 1 2 382.467 4.443 20 0 GIADLO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000462020352 823797360 /nfs/dbraw/zinc/79/73/60/823797360.db2.gz LAQBWIDVIYVIQC-QFIPXVFZSA-N 1 2 382.467 4.443 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000126140677 823797887 /nfs/dbraw/zinc/79/78/87/823797887.db2.gz VUWDAWFBMURMKQ-UXHICEINSA-N 1 2 384.907 4.223 20 0 GIADLO O=S(=O)(Nc1c[nH+]ccc1N1CCCC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000574685614 823800932 /nfs/dbraw/zinc/80/09/32/823800932.db2.gz WBFZEKOWAKFLOO-UHFFFAOYSA-N 1 2 391.496 4.054 20 0 GIADLO Cc1sc2nc([C@H](C)[NH+]3CCC([C@H](O)c4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000164407046 823801031 /nfs/dbraw/zinc/80/10/31/823801031.db2.gz VBEDNXUHXHZATG-IFXJQAMLSA-N 1 2 397.544 4.108 20 0 GIADLO Cc1cccn2cc(CCNC(=O)CCCCCO[C@@H]3CCC[C@H](C)C3)[nH+]c12 ZINC000164480302 823804406 /nfs/dbraw/zinc/80/44/06/823804406.db2.gz CFOPBWCKEHUIAV-GHTZIAJQSA-N 1 2 385.552 4.457 20 0 GIADLO O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000164590668 823810816 /nfs/dbraw/zinc/81/08/16/823810816.db2.gz WFYYQSFDQLYHRL-UHFFFAOYSA-N 1 2 395.260 4.297 20 0 GIADLO CCCCOc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000164599950 823811186 /nfs/dbraw/zinc/81/11/86/823811186.db2.gz ZWEDVYPFHCHOLR-GOSISDBHSA-N 1 2 384.524 4.394 20 0 GIADLO COc1cc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)ccc1Cl ZINC000574728778 823811877 /nfs/dbraw/zinc/81/18/77/823811877.db2.gz JYVCMPZKKLBZAJ-UHFFFAOYSA-N 1 2 376.243 4.118 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000462049398 823812199 /nfs/dbraw/zinc/81/21/99/823812199.db2.gz NKKXRDSETFSJDQ-UHFFFAOYSA-N 1 2 398.454 4.176 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000191922666 823812379 /nfs/dbraw/zinc/81/23/79/823812379.db2.gz AYQXKHHAEMMERO-UHFFFAOYSA-N 1 2 390.438 4.204 20 0 GIADLO COc1ccc(C2(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)CCCCC2)cc1 ZINC000126209380 823812763 /nfs/dbraw/zinc/81/27/63/823812763.db2.gz MIFZVEUZOSFUKL-GHTZIAJQSA-N 1 2 381.520 4.203 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc(C(F)(F)F)ccc1F ZINC000126243555 823819731 /nfs/dbraw/zinc/81/97/31/823819731.db2.gz QRQLIJQGLAQQBN-UHFFFAOYSA-N 1 2 393.340 4.372 20 0 GIADLO CC(C)Cn1ccnc1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000164789769 823819836 /nfs/dbraw/zinc/81/98/36/823819836.db2.gz RRONZWDYWFYIKG-INIZCTEOSA-N 1 2 378.314 4.305 20 0 GIADLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000164820912 823821839 /nfs/dbraw/zinc/82/18/39/823821839.db2.gz CZXXDRYEVGRVRX-OAHLLOKOSA-N 1 2 397.397 4.071 20 0 GIADLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000164820912 823821844 /nfs/dbraw/zinc/82/18/44/823821844.db2.gz CZXXDRYEVGRVRX-OAHLLOKOSA-N 1 2 397.397 4.071 20 0 GIADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000165034423 823831311 /nfs/dbraw/zinc/83/13/11/823831311.db2.gz HDPDREDSJANNDX-QGZVFWFLSA-N 1 2 395.425 4.193 20 0 GIADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000165034423 823831317 /nfs/dbraw/zinc/83/13/17/823831317.db2.gz HDPDREDSJANNDX-QGZVFWFLSA-N 1 2 395.425 4.193 20 0 GIADLO Cc1c2cccc(C)c2oc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126300793 823833906 /nfs/dbraw/zinc/83/39/06/823833906.db2.gz JXTOUWRQHHTURC-UHFFFAOYSA-N 1 2 378.472 4.443 20 0 GIADLO Cc1ccc(NC(=O)C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1C ZINC000165119603 823835178 /nfs/dbraw/zinc/83/51/78/823835178.db2.gz SVJFCNYWFOYRSH-QHCPKHFHSA-N 1 2 387.483 4.212 20 0 GIADLO COc1cc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc(OC)c1O ZINC000574844499 823840702 /nfs/dbraw/zinc/84/07/02/823840702.db2.gz LAINGGOMIASQTB-UHFFFAOYSA-N 1 2 379.460 4.221 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCc1nc2ccccc2s1 ZINC000126328620 823841208 /nfs/dbraw/zinc/84/12/08/823841208.db2.gz XGJZWLQNMHWLRO-UHFFFAOYSA-N 1 2 395.528 4.008 20 0 GIADLO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1nc(Cc2ccccc2)no1 ZINC000192055512 823845518 /nfs/dbraw/zinc/84/55/18/823845518.db2.gz CHFLTGKUFUGYKF-BOUXLOLZSA-N 1 2 383.879 4.495 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(OC2CCCC2)cc1 ZINC000126349415 823845814 /nfs/dbraw/zinc/84/58/14/823845814.db2.gz HLPIWWLALFTXFN-UHFFFAOYSA-N 1 2 394.515 4.401 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCCC[C@H]2[C@@H](C)O)cs1 ZINC000165720050 823860446 /nfs/dbraw/zinc/86/04/46/823860446.db2.gz SBVXAQRHIBVBFD-BEFAXECRSA-N 1 2 387.549 4.125 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCCC[C@H]2[C@@H](C)O)cs1 ZINC000165720050 823860457 /nfs/dbraw/zinc/86/04/57/823860457.db2.gz SBVXAQRHIBVBFD-BEFAXECRSA-N 1 2 387.549 4.125 20 0 GIADLO Fc1cc([C@H]2OCC[C@@H]2[NH2+]Cc2nc(Cc3ccccc3)no2)ccc1Cl ZINC000192104499 823861211 /nfs/dbraw/zinc/86/12/11/823861211.db2.gz ISDQUDGCNMFGNX-FXAWDEMLSA-N 1 2 387.842 4.073 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)C[C@H]2CCCOC2)cs1)c1cccc(Cl)c1 ZINC000165744738 823861852 /nfs/dbraw/zinc/86/18/52/823861852.db2.gz NERCGDIXAOAXLF-OAHLLOKOSA-N 1 2 393.940 4.340 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)C[C@H]2CCCOC2)cs1)c1cccc(Cl)c1 ZINC000165744738 823861863 /nfs/dbraw/zinc/86/18/63/823861863.db2.gz NERCGDIXAOAXLF-OAHLLOKOSA-N 1 2 393.940 4.340 20 0 GIADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F ZINC000165747406 823862504 /nfs/dbraw/zinc/86/25/04/823862504.db2.gz KNHQYAXHZBDXTI-KBPBESRZSA-N 1 2 394.315 4.248 20 0 GIADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F ZINC000165747406 823862510 /nfs/dbraw/zinc/86/25/10/823862510.db2.gz KNHQYAXHZBDXTI-KBPBESRZSA-N 1 2 394.315 4.248 20 0 GIADLO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000462194500 823863856 /nfs/dbraw/zinc/86/38/56/823863856.db2.gz IHZMWVVSZBEVSH-MNEFBYGVSA-N 1 2 375.900 4.050 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(C)(C)c2cccs2)CC1 ZINC000462196846 823865179 /nfs/dbraw/zinc/86/51/79/823865179.db2.gz ROKARGBIROIRIV-OAHLLOKOSA-N 1 2 377.579 4.176 20 0 GIADLO COc1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c(Cl)c(OC)c1 ZINC000413927812 823868025 /nfs/dbraw/zinc/86/80/25/823868025.db2.gz BASJHYDWTTXURM-GOSISDBHSA-N 1 2 388.895 4.350 20 0 GIADLO COc1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c(Cl)c(OC)c1 ZINC000413927812 823868029 /nfs/dbraw/zinc/86/80/29/823868029.db2.gz BASJHYDWTTXURM-GOSISDBHSA-N 1 2 388.895 4.350 20 0 GIADLO CSc1ccc(Cl)cc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000166037940 823869115 /nfs/dbraw/zinc/86/91/15/823869115.db2.gz AGWHQPBYSUCNEC-CYBMUJFWSA-N 1 2 378.929 4.282 20 0 GIADLO Cc1ccc(C[C@@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)s1 ZINC000462204958 823869899 /nfs/dbraw/zinc/86/98/99/823869899.db2.gz BRCGKSNXMWYWRS-ZBFHGGJFSA-N 1 2 377.579 4.137 20 0 GIADLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1cccc(F)c1F ZINC000462207408 823871828 /nfs/dbraw/zinc/87/18/28/823871828.db2.gz GNPYZACWMAJZMQ-ZIAGYGMSSA-N 1 2 379.476 4.176 20 0 GIADLO O=C(NCC(F)(F)c1ccccc1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000462227040 823882215 /nfs/dbraw/zinc/88/22/15/823882215.db2.gz SEKMXSHCSRJJQQ-WOJBJXKFSA-N 1 2 396.441 4.203 20 0 GIADLO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1=O ZINC000575006371 823885179 /nfs/dbraw/zinc/88/51/79/823885179.db2.gz YQSLPQSMZQXMJO-HRAATJIYSA-N 1 2 393.462 4.323 20 0 GIADLO COc1cccc(Nc2nn(C[N@@H+]3CCSC[C@H](C)C3)c(=S)s2)c1 ZINC000192180287 823894205 /nfs/dbraw/zinc/89/42/05/823894205.db2.gz FOMHRLBRPBAYSD-GFCCVEGCSA-N 1 2 382.580 4.069 20 0 GIADLO COc1cccc(Nc2nn(C[N@H+]3CCSC[C@H](C)C3)c(=S)s2)c1 ZINC000192180287 823894212 /nfs/dbraw/zinc/89/42/12/823894212.db2.gz FOMHRLBRPBAYSD-GFCCVEGCSA-N 1 2 382.580 4.069 20 0 GIADLO O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000575044044 823898397 /nfs/dbraw/zinc/89/83/97/823898397.db2.gz DLZYNCBJCCFIFN-UHFFFAOYSA-N 1 2 388.777 4.304 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Br)c(F)cc1F ZINC000192208165 823902877 /nfs/dbraw/zinc/90/28/77/823902877.db2.gz QBYQJQLRESAYGW-UHFFFAOYSA-N 1 2 396.166 4.304 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(OC)c(OC3CCCC3)c2)s1 ZINC000414085054 823905614 /nfs/dbraw/zinc/90/56/14/823905614.db2.gz XVWUMFWLAONVHB-ZDUSSCGKSA-N 1 2 390.505 4.111 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3Br)s1 ZINC000414104770 823910939 /nfs/dbraw/zinc/91/09/39/823910939.db2.gz VTBLNDRTXXZJTA-NOZJJQNGSA-N 1 2 381.295 4.030 20 0 GIADLO Cc1ccc(-n2ccn(C[NH+]3CCC(N4CCCCC4=O)CC3)c2=S)c(C)c1 ZINC000126620711 823913177 /nfs/dbraw/zinc/91/31/77/823913177.db2.gz RQGHKGACJKXQFH-UHFFFAOYSA-N 1 2 398.576 4.060 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)n(-c2ccccc2Cl)n1 ZINC000192252219 823917026 /nfs/dbraw/zinc/91/70/26/823917026.db2.gz GCGNQBYZXYKKOJ-UHFFFAOYSA-N 1 2 399.926 4.145 20 0 GIADLO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000414135451 823917196 /nfs/dbraw/zinc/91/71/96/823917196.db2.gz HJKUJKRQWLJVRQ-AWEZNQCLSA-N 1 2 398.532 4.091 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)Oc1cccc(Cl)c1 ZINC000192252888 823917793 /nfs/dbraw/zinc/91/77/93/823917793.db2.gz OYHDTRZXGOSCBY-UHFFFAOYSA-N 1 2 377.916 4.195 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cn(-c2ccc(Cl)cc2)nc1C ZINC000192254737 823918165 /nfs/dbraw/zinc/91/81/65/823918165.db2.gz LNNIGDWPVFHKSQ-UHFFFAOYSA-N 1 2 399.926 4.145 20 0 GIADLO CCOc1cccc([C@@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000462306148 823918934 /nfs/dbraw/zinc/91/89/34/823918934.db2.gz PLMAXVBGZBXPND-IAGOWNOFSA-N 1 2 387.549 4.296 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2c(F)cccc2Cl)CC1 ZINC000462312234 823921287 /nfs/dbraw/zinc/92/12/87/823921287.db2.gz FZKCZDQBLBQLHE-CYBMUJFWSA-N 1 2 381.904 4.129 20 0 GIADLO C[C@@H]1C[C@]1(NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(Cl)cc1 ZINC000575149578 823923908 /nfs/dbraw/zinc/92/39/08/823923908.db2.gz KUOJRSIUZOFYRL-JLTOFOAXSA-N 1 2 381.867 4.037 20 0 GIADLO O=C1CCCCN1C1CC[NH+](Cn2c(-c3ccccc3)csc2=S)CC1 ZINC000126684431 823926691 /nfs/dbraw/zinc/92/66/91/823926691.db2.gz AWSWFZGPKRXMHR-UHFFFAOYSA-N 1 2 387.574 4.380 20 0 GIADLO COC[C@H](Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)c1cccc(Cl)c1 ZINC000575168292 823930361 /nfs/dbraw/zinc/93/03/61/823930361.db2.gz HXRCMUDHTMPMSL-DOXZYTNZSA-N 1 2 375.900 4.148 20 0 GIADLO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)CCCO2 ZINC000414226925 823933658 /nfs/dbraw/zinc/93/36/58/823933658.db2.gz CGUOPIKRNZFQAI-KRWDZBQOSA-N 1 2 379.909 4.055 20 0 GIADLO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ncc(-c2ccccc2)o1 ZINC000126721661 823935508 /nfs/dbraw/zinc/93/55/08/823935508.db2.gz VOWWYLHUOREYKT-SUMWQHHRSA-N 1 2 383.398 4.076 20 0 GIADLO FC(F)(F)c1ccnc(C[NH2+][C@H]2CCCc3cc(Br)ccc32)n1 ZINC000414237101 823936492 /nfs/dbraw/zinc/93/64/92/823936492.db2.gz ITKPGRFIDCOZNC-ZDUSSCGKSA-N 1 2 386.215 4.425 20 0 GIADLO COc1cc(OC)cc(C2(F)CC[NH+]([C@@H](C)c3nc(C(C)(C)C)no3)CC2)c1 ZINC000575198522 823936756 /nfs/dbraw/zinc/93/67/56/823936756.db2.gz MQBUADNRVWEMFP-AWEZNQCLSA-N 1 2 391.487 4.406 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000575202345 823937222 /nfs/dbraw/zinc/93/72/22/823937222.db2.gz OIKQWXUJLOOLJJ-UHFFFAOYSA-N 1 2 377.275 4.280 20 0 GIADLO Nc1c(Cl)cc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1Cl ZINC000192295413 823937707 /nfs/dbraw/zinc/93/77/07/823937707.db2.gz MADRPLGNQUPUPE-UHFFFAOYSA-N 1 2 394.306 4.283 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Cl)c2cccnc12 ZINC000126757593 823943255 /nfs/dbraw/zinc/94/32/55/823943255.db2.gz SMDOMPQNMIVTRR-UHFFFAOYSA-N 1 2 380.879 4.204 20 0 GIADLO Cc1cc([C@@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)sc1Br ZINC000414258826 823943842 /nfs/dbraw/zinc/94/38/42/823943842.db2.gz PVZLXOBEHKXKSX-MRVPVSSYSA-N 1 2 380.233 4.479 20 0 GIADLO CC(C)c1c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1ccccc1 ZINC000192334421 823949506 /nfs/dbraw/zinc/94/95/06/823949506.db2.gz OGJPNRQBTWWDEM-YLJYHZDGSA-N 1 2 392.507 4.307 20 0 GIADLO Brc1cccc2c1OCCC[C@@H]2[NH2+]Cc1nnc(C2CC2)s1 ZINC000414333879 823960245 /nfs/dbraw/zinc/96/02/45/823960245.db2.gz WRQJCSUTGUPOTC-ZDUSSCGKSA-N 1 2 380.311 4.182 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000192370623 823962369 /nfs/dbraw/zinc/96/23/69/823962369.db2.gz MFLOCXAETYWQCJ-UHFFFAOYSA-N 1 2 386.515 4.128 20 0 GIADLO COc1cccc([C@H](NCc2c[nH+]c(N(C)C)n2C)c2ccccc2Cl)c1 ZINC000414359463 823964996 /nfs/dbraw/zinc/96/49/96/823964996.db2.gz ONWHKYAZMPNGFJ-FQEVSTJZSA-N 1 2 384.911 4.027 20 0 GIADLO Cc1cc(CNc2ccc[nH+]c2N2CCC(CO)CC2)ccc1C(F)(F)F ZINC000414370002 823967560 /nfs/dbraw/zinc/96/75/60/823967560.db2.gz VUNORZBRVVWOKL-UHFFFAOYSA-N 1 2 379.426 4.230 20 0 GIADLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000575434966 823970629 /nfs/dbraw/zinc/97/06/29/823970629.db2.gz ZYZTZWYPZDVYKH-WBVHZDCISA-N 1 2 398.334 4.177 20 0 GIADLO CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000575434966 823970635 /nfs/dbraw/zinc/97/06/35/823970635.db2.gz ZYZTZWYPZDVYKH-WBVHZDCISA-N 1 2 398.334 4.177 20 0 GIADLO CC[C@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)CC(F)(F)F ZINC000414401079 823971819 /nfs/dbraw/zinc/97/18/19/823971819.db2.gz DTMGFXLEWAHRLT-LBPRGKRZSA-N 1 2 378.464 4.229 20 0 GIADLO CSCCc1ccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000170814400 823977893 /nfs/dbraw/zinc/97/78/93/823977893.db2.gz FBCQXMXYXJDAIW-UHFFFAOYSA-N 1 2 385.558 4.420 20 0 GIADLO CCN(Cc1occc1C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000414419718 823978652 /nfs/dbraw/zinc/97/86/52/823978652.db2.gz UVHJBJDVGZNFOP-AWEZNQCLSA-N 1 2 376.526 4.330 20 0 GIADLO CCN(Cc1occc1C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000414419718 823978658 /nfs/dbraw/zinc/97/86/58/823978658.db2.gz UVHJBJDVGZNFOP-AWEZNQCLSA-N 1 2 376.526 4.330 20 0 GIADLO FC(F)(F)CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000126916096 823980038 /nfs/dbraw/zinc/98/00/38/823980038.db2.gz FEAMIROPVMBRTO-UHFFFAOYSA-N 1 2 376.835 4.171 20 0 GIADLO O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000126925179 823981734 /nfs/dbraw/zinc/98/17/34/823981734.db2.gz PEQXIYHWRFWNRY-OAQYLSRUSA-N 1 2 388.858 4.440 20 0 GIADLO CCOCCOc1ccc(Cl)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170845764 823989200 /nfs/dbraw/zinc/98/92/00/823989200.db2.gz SNQARHWIBTUYQS-UHFFFAOYSA-N 1 2 385.851 4.193 20 0 GIADLO O=C(Nc1cccc(OCCF)c1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000126970396 823991757 /nfs/dbraw/zinc/99/17/57/823991757.db2.gz SAHJPAQILRYPSR-SFTDATJTSA-N 1 2 394.450 4.282 20 0 GIADLO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000414491062 823994233 /nfs/dbraw/zinc/99/42/33/823994233.db2.gz BSJNQQAXXOMEPS-LBPRGKRZSA-N 1 2 398.981 4.005 20 0 GIADLO CCCOc1ccc(Cl)cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000575785535 823994589 /nfs/dbraw/zinc/99/45/89/823994589.db2.gz LLKLMEFTCMCFOY-WMLDXEAASA-N 1 2 377.872 4.105 20 0 GIADLO CCCOc1ccc(Cl)cc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000575785535 823994594 /nfs/dbraw/zinc/99/45/94/823994594.db2.gz LLKLMEFTCMCFOY-WMLDXEAASA-N 1 2 377.872 4.105 20 0 GIADLO CCOCCOc1ccc(Br)cc1C[NH2+][C@@H](C)c1nccs1 ZINC000414494417 823995448 /nfs/dbraw/zinc/99/54/48/823995448.db2.gz LDIJELCWOSXEHL-LBPRGKRZSA-N 1 2 385.327 4.172 20 0 GIADLO COc1cccc2c1CC[C@@H]([NH2+][C@@H](c1noc(C)n1)c1ccc(Cl)cc1)C2 ZINC000192446986 823995826 /nfs/dbraw/zinc/99/58/26/823995826.db2.gz LXEQCGDZIIGLCD-YLJYHZDGSA-N 1 2 383.879 4.277 20 0 GIADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000192460532 823998661 /nfs/dbraw/zinc/99/86/61/823998661.db2.gz FEZDVJGXLYYXGO-UHFFFAOYSA-N 1 2 376.815 4.482 20 0 GIADLO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127011842 824000618 /nfs/dbraw/zinc/00/06/18/824000618.db2.gz QVMSBCPMKZBIME-JOCHJYFZSA-N 1 2 389.455 4.346 20 0 GIADLO C[C@@H](CC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)n1cc[nH+]c1 ZINC000575806029 824000886 /nfs/dbraw/zinc/00/08/86/824000886.db2.gz QGVRIEMDMKCYKY-HOCLYGCPSA-N 1 2 377.872 4.074 20 0 GIADLO COc1cc(Cl)c(Cl)cc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000575837315 824008772 /nfs/dbraw/zinc/00/87/72/824008772.db2.gz UYKHMXAGIYTRPC-UHFFFAOYSA-N 1 2 390.270 4.177 20 0 GIADLO COc1ccc(OC)c(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000192492973 824010408 /nfs/dbraw/zinc/01/04/08/824010408.db2.gz IYAJDNNKKRUIRX-UHFFFAOYSA-N 1 2 391.471 4.085 20 0 GIADLO Fc1ccc(C2([NH2+]Cc3nnc(-c4ccccc4Cl)o3)CCOCC2)cc1 ZINC000170971664 824023742 /nfs/dbraw/zinc/02/37/42/824023742.db2.gz DTTQLVYHVDERMF-UHFFFAOYSA-N 1 2 387.842 4.325 20 0 GIADLO COc1ccc([C@@H]([NH2+]Cc2nnc(C(=O)Nc3ccccc3)s2)C(C)C)cc1 ZINC000192631783 824051262 /nfs/dbraw/zinc/05/12/62/824051262.db2.gz GHYKJQNDCMFACS-IBGZPJMESA-N 1 2 396.516 4.286 20 0 GIADLO Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000039202536 205039724 /nfs/dbraw/zinc/03/97/24/205039724.db2.gz LQMXDPGQWZJNJC-UHFFFAOYSA-N 1 2 379.454 4.267 20 0 GIADLO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000039202536 205039727 /nfs/dbraw/zinc/03/97/27/205039727.db2.gz LQMXDPGQWZJNJC-UHFFFAOYSA-N 1 2 379.454 4.267 20 0 GIADLO O=C(Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)C1=NO[C@@H](c2ccccc2)C1 ZINC000053547843 205136719 /nfs/dbraw/zinc/13/67/19/205136719.db2.gz WQQVBMDFDXDQFM-OAQYLSRUSA-N 1 2 386.455 4.343 20 0 GIADLO Clc1cc(Cl)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164721160 720356530 /nfs/dbraw/zinc/35/65/30/720356530.db2.gz AVGABYXMWPZQEB-KBPBESRZSA-N 1 2 383.710 4.290 20 0 GIADLO Clc1cc(Cl)c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164721160 720356539 /nfs/dbraw/zinc/35/65/39/720356539.db2.gz AVGABYXMWPZQEB-KBPBESRZSA-N 1 2 383.710 4.290 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000175846999 823054111 /nfs/dbraw/zinc/05/41/11/823054111.db2.gz KKKKRQZICOHTGY-OAQYLSRUSA-N 1 2 396.510 4.156 20 0 GIADLO C[C@@H]1C[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@H](c2ccsc2)O1 ZINC000120747423 823056208 /nfs/dbraw/zinc/05/62/08/823056208.db2.gz NQYMNLFSSZPFKZ-SPLOXXLWSA-N 1 2 381.497 4.305 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C[C@H](c2ccsc2)O1 ZINC000120747423 823056212 /nfs/dbraw/zinc/05/62/12/823056212.db2.gz NQYMNLFSSZPFKZ-SPLOXXLWSA-N 1 2 381.497 4.305 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000120825360 823072034 /nfs/dbraw/zinc/07/20/34/823072034.db2.gz DLVPMZJMQQHQPK-MSOLQXFVSA-N 1 2 389.540 4.010 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000120825360 823072036 /nfs/dbraw/zinc/07/20/36/823072036.db2.gz DLVPMZJMQQHQPK-MSOLQXFVSA-N 1 2 389.540 4.010 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cccc(C(F)F)c3)CC2)cc1 ZINC000175912456 823070822 /nfs/dbraw/zinc/07/08/22/823070822.db2.gz GSNVCWGLDHAAOF-UHFFFAOYSA-N 1 2 388.462 4.481 20 0 GIADLO CCC[C@H]1CCC[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000120823084 823071460 /nfs/dbraw/zinc/07/14/60/823071460.db2.gz ADTRFYFHQFEJTQ-HNNXBMFYSA-N 1 2 378.563 4.226 20 0 GIADLO CCC[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000120823084 823071466 /nfs/dbraw/zinc/07/14/66/823071466.db2.gz ADTRFYFHQFEJTQ-HNNXBMFYSA-N 1 2 378.563 4.226 20 0 GIADLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1cccc(OCc2ccccn2)c1 ZINC000570728713 823076876 /nfs/dbraw/zinc/07/68/76/823076876.db2.gz XHDONFLMGLKLIM-UHFFFAOYSA-N 1 2 392.484 4.404 20 0 GIADLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1cccc(OCc2ccccn2)c1 ZINC000570728713 823076881 /nfs/dbraw/zinc/07/68/81/823076881.db2.gz XHDONFLMGLKLIM-UHFFFAOYSA-N 1 2 392.484 4.404 20 0 GIADLO O=C(CCc1ccc(Cl)s1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000570732096 823077560 /nfs/dbraw/zinc/07/75/60/823077560.db2.gz UBLTYFKTRYFTKM-UHFFFAOYSA-N 1 2 380.300 4.490 20 0 GIADLO Cc1sc2nc([C@@H](C)[N@@H+]3CCSC4(CCCCC4)C3)[nH]c(=O)c2c1C ZINC000175968892 823084252 /nfs/dbraw/zinc/08/42/52/823084252.db2.gz SLIQUYJSJPJBCW-CYBMUJFWSA-N 1 2 377.579 4.414 20 0 GIADLO Cc1sc2nc([C@@H](C)[N@H+]3CCSC4(CCCCC4)C3)[nH]c(=O)c2c1C ZINC000175968892 823084255 /nfs/dbraw/zinc/08/42/55/823084255.db2.gz SLIQUYJSJPJBCW-CYBMUJFWSA-N 1 2 377.579 4.414 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000056114863 823084778 /nfs/dbraw/zinc/08/47/78/823084778.db2.gz FKCIQDBAFKAHKJ-UHFFFAOYSA-N 1 2 399.853 4.352 20 0 GIADLO C[C@@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1C(F)(F)F ZINC000120927342 823088006 /nfs/dbraw/zinc/08/80/06/823088006.db2.gz INLLBTCBQAMAFY-HOTGVXAUSA-N 1 2 393.453 4.414 20 0 GIADLO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000120929153 823088267 /nfs/dbraw/zinc/08/82/67/823088267.db2.gz OMCQWXAJDZAQOY-RBUKOAKNSA-N 1 2 393.535 4.169 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCCc3sccc32)C[C@H](C)O1 ZINC000120938208 823089912 /nfs/dbraw/zinc/08/99/12/823089912.db2.gz NLWRPORQBLFFBI-JTDSTZFVSA-N 1 2 384.545 4.416 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCCc3sccc32)C[C@H](C)O1 ZINC000120938208 823089916 /nfs/dbraw/zinc/08/99/16/823089916.db2.gz NLWRPORQBLFFBI-JTDSTZFVSA-N 1 2 384.545 4.416 20 0 GIADLO CC(C)(C)Oc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000175998331 823092068 /nfs/dbraw/zinc/09/20/68/823092068.db2.gz VLXZONYUWXHOOJ-UHFFFAOYSA-N 1 2 377.488 4.081 20 0 GIADLO O=C(CCc1cc(Cl)cc(Cl)c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000120966919 823094521 /nfs/dbraw/zinc/09/45/21/823094521.db2.gz AQZQZCXAFIMIAA-UHFFFAOYSA-N 1 2 388.298 4.487 20 0 GIADLO O=C(NC1CC1)[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000056184997 823098156 /nfs/dbraw/zinc/09/81/56/823098156.db2.gz IZJRQSFLONMLFF-DEOSSOPVSA-N 1 2 386.495 4.375 20 0 GIADLO CC[N@H+](CC(=O)NCCc1csc(C(C)C)n1)Cc1ccccc1Cl ZINC000570870983 823099322 /nfs/dbraw/zinc/09/93/22/823099322.db2.gz RSFGGVIHNUPLGF-UHFFFAOYSA-N 1 2 379.957 4.101 20 0 GIADLO CC[N@@H+](CC(=O)NCCc1csc(C(C)C)n1)Cc1ccccc1Cl ZINC000570870983 823099327 /nfs/dbraw/zinc/09/93/27/823099327.db2.gz RSFGGVIHNUPLGF-UHFFFAOYSA-N 1 2 379.957 4.101 20 0 GIADLO COc1ccc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c(OC)c1 ZINC000056202185 823101951 /nfs/dbraw/zinc/10/19/51/823101951.db2.gz YMOMNOQQUJLMFT-QFIPXVFZSA-N 1 2 376.456 4.173 20 0 GIADLO C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000121041262 823107455 /nfs/dbraw/zinc/10/74/55/823107455.db2.gz VQUZXUWMXIPUCI-INIZCTEOSA-N 1 2 381.451 4.404 20 0 GIADLO Cc1noc([C@H](C)Sc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)n1 ZINC000056255934 823113966 /nfs/dbraw/zinc/11/39/66/823113966.db2.gz LVFWIAWWXHJTHF-LBPRGKRZSA-N 1 2 389.550 4.449 20 0 GIADLO Cc1coc(-c2ccc(C)c(NC(=O)NCCCCNc3cccc[nH+]3)c2)n1 ZINC000121092815 823117327 /nfs/dbraw/zinc/11/73/27/823117327.db2.gz PUSHSAHKBLTOFN-UHFFFAOYSA-N 1 2 379.464 4.367 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3[nH]c4ccccc4c3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000056278537 823119704 /nfs/dbraw/zinc/11/97/04/823119704.db2.gz UJWMJJWHULJPMC-UHFFFAOYSA-N 1 2 397.910 4.006 20 0 GIADLO C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045963 823124454 /nfs/dbraw/zinc/12/44/54/823124454.db2.gz QTIPYAKEIKVFDV-DHIUTWEWSA-N 1 2 381.539 4.215 20 0 GIADLO C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045963 823124458 /nfs/dbraw/zinc/12/44/58/823124458.db2.gz QTIPYAKEIKVFDV-DHIUTWEWSA-N 1 2 381.539 4.215 20 0 GIADLO COC[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cccc(Cl)c1 ZINC000571083618 823129475 /nfs/dbraw/zinc/12/94/75/823129475.db2.gz FWSCKTIIKQEMOY-NRFANRHFSA-N 1 2 381.907 4.492 20 0 GIADLO COc1ccc(/C(C)=C/C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000176135966 823132585 /nfs/dbraw/zinc/13/25/85/823132585.db2.gz MSABLTXIMZZUCT-BMRADRMJSA-N 1 2 377.444 4.013 20 0 GIADLO O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056350622 823134568 /nfs/dbraw/zinc/13/45/68/823134568.db2.gz VXSFGSFZVWYEHZ-IBGZPJMESA-N 1 2 377.444 4.073 20 0 GIADLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1c(F)cccc1Cl ZINC000176147637 823135974 /nfs/dbraw/zinc/13/59/74/823135974.db2.gz CIYROLKBOXGKNM-CABCVRRESA-N 1 2 390.890 4.024 20 0 GIADLO Cc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)n1[C@H](C)c1ccccc1 ZINC000121202030 823137602 /nfs/dbraw/zinc/13/76/02/823137602.db2.gz ONXYEQFNAIWYAD-XMSQKQJNSA-N 1 2 389.499 4.403 20 0 GIADLO Cc1ccc(-c2c[nH]cc2C(=O)NCCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000187809018 823137966 /nfs/dbraw/zinc/13/79/66/823137966.db2.gz RYKOGNNLVOFIEM-UHFFFAOYSA-N 1 2 390.512 4.269 20 0 GIADLO COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000459174578 823138102 /nfs/dbraw/zinc/13/81/02/823138102.db2.gz KPEVRWQOUHBHKB-QGZVFWFLSA-N 1 2 392.503 4.041 20 0 GIADLO CC(=O)CCCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000121214797 823140093 /nfs/dbraw/zinc/14/00/93/823140093.db2.gz UEJQOQYEJJWGEY-PKOBYXMFSA-N 1 2 382.907 4.269 20 0 GIADLO CC(=O)CCCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000121214797 823140096 /nfs/dbraw/zinc/14/00/96/823140096.db2.gz UEJQOQYEJJWGEY-PKOBYXMFSA-N 1 2 382.907 4.269 20 0 GIADLO CC[C@]1(C)Oc2ccc(NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)cc2O1 ZINC000571159870 823142540 /nfs/dbraw/zinc/14/25/40/823142540.db2.gz BISUVTJFLVSOCP-VGOFRKELSA-N 1 2 377.444 4.468 20 0 GIADLO COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000459198357 823142591 /nfs/dbraw/zinc/14/25/91/823142591.db2.gz CYWJLYWCVPXYCU-GOSISDBHSA-N 1 2 384.524 4.163 20 0 GIADLO O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000571187523 823145854 /nfs/dbraw/zinc/14/58/54/823145854.db2.gz VQTOMIOGKZJGLT-SHTZXODSSA-N 1 2 378.303 4.470 20 0 GIADLO CC(=O)Nc1ccccc1CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000571145050 823140407 /nfs/dbraw/zinc/14/04/07/823140407.db2.gz KHZFZIFMDIFDHP-UHFFFAOYSA-N 1 2 388.471 4.026 20 0 GIADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000571246559 823155044 /nfs/dbraw/zinc/15/50/44/823155044.db2.gz NRQRBDLQFBHBEQ-XNTDXEJSSA-N 1 2 399.420 4.278 20 0 GIADLO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000571246559 823155046 /nfs/dbraw/zinc/15/50/46/823155046.db2.gz NRQRBDLQFBHBEQ-XNTDXEJSSA-N 1 2 399.420 4.278 20 0 GIADLO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnc(C2CC2)nc1 ZINC000459282336 823156176 /nfs/dbraw/zinc/15/61/76/823156176.db2.gz DKMAUGKUTXKJPA-UHFFFAOYSA-N 1 2 392.425 4.222 20 0 GIADLO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnc(C2CC2)nc1 ZINC000459282336 823156179 /nfs/dbraw/zinc/15/61/79/823156179.db2.gz DKMAUGKUTXKJPA-UHFFFAOYSA-N 1 2 392.425 4.222 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187914009 823157287 /nfs/dbraw/zinc/15/72/87/823157287.db2.gz GNRJIAGWCGEOJL-IBGZPJMESA-N 1 2 386.858 4.218 20 0 GIADLO COc1cc(Br)c(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1OC ZINC000571310087 823163596 /nfs/dbraw/zinc/16/35/96/823163596.db2.gz ILLSBGJGQABHSK-INIZCTEOSA-N 1 2 377.282 4.198 20 0 GIADLO COc1cc(Br)c(C[N@H+]2CCC[C@H]2c2cccnc2)cc1OC ZINC000571310087 823163599 /nfs/dbraw/zinc/16/35/99/823163599.db2.gz ILLSBGJGQABHSK-INIZCTEOSA-N 1 2 377.282 4.198 20 0 GIADLO CCc1ccc(C[NH+]2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cn1 ZINC000571364297 823171532 /nfs/dbraw/zinc/17/15/32/823171532.db2.gz DCQMLDXSXCTLQH-UHFFFAOYSA-N 1 2 396.535 4.224 20 0 GIADLO O[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000187997497 823169228 /nfs/dbraw/zinc/16/92/28/823169228.db2.gz HSOZRXJWVWNNJJ-IAGOWNOFSA-N 1 2 380.250 4.268 20 0 GIADLO CC(C)c1scnc1NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000571361151 823171074 /nfs/dbraw/zinc/17/10/74/823171074.db2.gz PFFMUKFHFGWNCR-UHFFFAOYSA-N 1 2 378.929 4.100 20 0 GIADLO CC(C)c1scnc1NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000571361151 823171078 /nfs/dbraw/zinc/17/10/78/823171078.db2.gz PFFMUKFHFGWNCR-UHFFFAOYSA-N 1 2 378.929 4.100 20 0 GIADLO CCOC(=O)c1noc(C[NH+]2CCC(Cc3cc(Cl)ccc3Cl)CC2)n1 ZINC000459362399 823172334 /nfs/dbraw/zinc/17/23/34/823172334.db2.gz QIORFQAMXYXWRO-UHFFFAOYSA-N 1 2 398.290 4.008 20 0 GIADLO COc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1Cc1ccccc1 ZINC000056576149 823173387 /nfs/dbraw/zinc/17/33/87/823173387.db2.gz PKPSFCUAYQZKBP-UHFFFAOYSA-N 1 2 378.476 4.084 20 0 GIADLO COc1ccc([C@H](C)CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000176308251 823178254 /nfs/dbraw/zinc/17/82/54/823178254.db2.gz XFNIDBQFINPAOM-GOSISDBHSA-N 1 2 381.520 4.281 20 0 GIADLO Cn1c2ccccc2c(Cl)c1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000056603121 823178656 /nfs/dbraw/zinc/17/86/56/823178656.db2.gz HFXKIWSBRCPREZ-UHFFFAOYSA-N 1 2 378.863 4.007 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@H](CC(C)C)c2cccc(C(F)(F)F)c2)n1 ZINC000459388774 823180592 /nfs/dbraw/zinc/18/05/92/823180592.db2.gz GEZOWLUAUXDYHS-CQSZACIVSA-N 1 2 385.386 4.142 20 0 GIADLO C[C@H](c1cccc(NC(=O)N(C)[C@@H](C)Cc2cccc(F)c2)c1)[NH+]1CCOCC1 ZINC000459390031 823180890 /nfs/dbraw/zinc/18/08/90/823180890.db2.gz RVPIDDNGMWEZSP-ZWKOTPCHSA-N 1 2 399.510 4.314 20 0 GIADLO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2cccc(O)c2Br)c1 ZINC000459389552 823180915 /nfs/dbraw/zinc/18/09/15/823180915.db2.gz RACBOZMIHRHTET-UHFFFAOYSA-N 1 2 391.309 4.429 20 0 GIADLO CCC[N@H+](Cc1cc(C(=O)OC)c(CC)o1)[C@H](C)C(=O)Nc1ccccc1C ZINC000571465930 823186605 /nfs/dbraw/zinc/18/66/05/823186605.db2.gz BNNZJQMBYQLITQ-MRXNPFEDSA-N 1 2 386.492 4.176 20 0 GIADLO CCC[N@@H+](Cc1cc(C(=O)OC)c(CC)o1)[C@H](C)C(=O)Nc1ccccc1C ZINC000571465930 823186609 /nfs/dbraw/zinc/18/66/09/823186609.db2.gz BNNZJQMBYQLITQ-MRXNPFEDSA-N 1 2 386.492 4.176 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000571474903 823188448 /nfs/dbraw/zinc/18/84/48/823188448.db2.gz CSZFCYJPQMMLJH-UHFFFAOYSA-N 1 2 391.500 4.096 20 0 GIADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCC[C@@H](Cc3[nH+]ccn3C)C1)CC2 ZINC000188155847 823195409 /nfs/dbraw/zinc/19/54/09/823195409.db2.gz JUIHMVWEPQDKQS-LAUBAEHRSA-N 1 2 380.536 4.195 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@H+](C)CCCCc3ccccc3)nc2c1 ZINC000121473769 823191262 /nfs/dbraw/zinc/19/12/62/823191262.db2.gz GTLMZBDBUFKPHX-UHFFFAOYSA-N 1 2 386.517 4.076 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@@H+](C)CCCCc3ccccc3)nc2c1 ZINC000121473769 823191268 /nfs/dbraw/zinc/19/12/68/823191268.db2.gz GTLMZBDBUFKPHX-UHFFFAOYSA-N 1 2 386.517 4.076 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CCc3cc(F)ccc32)C[C@@H](C)O1 ZINC000056661905 823192061 /nfs/dbraw/zinc/19/20/61/823192061.db2.gz MJSNFYNPUFVEBV-XCGNWRKASA-N 1 2 397.494 4.244 20 0 GIADLO Cc1ccc(Br)cc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056662008 823192146 /nfs/dbraw/zinc/19/21/46/823192146.db2.gz AJJSWTONJLNSET-UHFFFAOYSA-N 1 2 385.265 4.265 20 0 GIADLO CCOc1cc(CNc2ccc(N3CCCC3)[nH+]c2)cc(Br)c1O ZINC000459451670 823194470 /nfs/dbraw/zinc/19/44/70/823194470.db2.gz QHZRAMCWBCBYFZ-UHFFFAOYSA-N 1 2 392.297 4.161 20 0 GIADLO C[C@H](CNC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)Cn1cc[nH+]c1 ZINC000176392568 823197111 /nfs/dbraw/zinc/19/71/11/823197111.db2.gz HODCHKRJIWSBLW-OXQOHEQNSA-N 1 2 383.492 4.308 20 0 GIADLO C[C@@H](CNC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)Cn1cc[nH+]c1 ZINC000176400587 823200084 /nfs/dbraw/zinc/20/00/84/823200084.db2.gz AKRYWHMZUHKTKT-KRWDZBQOSA-N 1 2 397.906 4.111 20 0 GIADLO C[C@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000459496144 823204119 /nfs/dbraw/zinc/20/41/19/823204119.db2.gz WRGUNJIMDCJAHC-SJCJKPOMSA-N 1 2 393.409 4.040 20 0 GIADLO C[C@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000459496144 823204120 /nfs/dbraw/zinc/20/41/20/823204120.db2.gz WRGUNJIMDCJAHC-SJCJKPOMSA-N 1 2 393.409 4.040 20 0 GIADLO COc1ccc(C(=O)CCCCCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000188225156 823206313 /nfs/dbraw/zinc/20/63/13/823206313.db2.gz XSUSMWHWCLQBKM-WIYYLYMNSA-N 1 2 397.519 4.135 20 0 GIADLO OCC1([C@H]([NH2+]Cc2nc(-c3ccc(F)c(F)c3)no2)c2ccccc2)CCCC1 ZINC000459528763 823212568 /nfs/dbraw/zinc/21/25/68/823212568.db2.gz LNGXNSYTGRYFMQ-HXUWFJFHSA-N 1 2 399.441 4.398 20 0 GIADLO Cn1c[nH+]cc1CCNC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000121593993 823212700 /nfs/dbraw/zinc/21/27/00/823212700.db2.gz RAXLOYJFWLRAIP-UHFFFAOYSA-N 1 2 387.814 4.280 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2nc(C(C)C)n3ccccc23)cc(OC)c1OC ZINC000571647249 823214008 /nfs/dbraw/zinc/21/40/08/823214008.db2.gz NPCHGBWZUXZNQB-OAHLLOKOSA-N 1 2 383.492 4.334 20 0 GIADLO COc1ccc(-c2nnc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCC3)o2)cc1 ZINC000459536542 823214474 /nfs/dbraw/zinc/21/44/74/823214474.db2.gz SJOHALWQEDWETJ-NRFANRHFSA-N 1 2 393.487 4.129 20 0 GIADLO CCOc1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)cc(Br)c1O ZINC000459554013 823219302 /nfs/dbraw/zinc/21/93/02/823219302.db2.gz BYCYCPVRIZPQOD-INIZCTEOSA-N 1 2 377.282 4.286 20 0 GIADLO CCOc1cc(C[N@H+]2CCC[C@H]2c2ccncc2)cc(Br)c1O ZINC000459554013 823219308 /nfs/dbraw/zinc/21/93/08/823219308.db2.gz BYCYCPVRIZPQOD-INIZCTEOSA-N 1 2 377.282 4.286 20 0 GIADLO COCc1cc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2Br)no1 ZINC000459579473 823224081 /nfs/dbraw/zinc/22/40/81/823224081.db2.gz ZNKBXMJRICMPAF-INIZCTEOSA-N 1 2 379.298 4.181 20 0 GIADLO COCc1cc(C[N@H+]2CCCC[C@H]2Cc2ccccc2Br)no1 ZINC000459579473 823224084 /nfs/dbraw/zinc/22/40/84/823224084.db2.gz ZNKBXMJRICMPAF-INIZCTEOSA-N 1 2 379.298 4.181 20 0 GIADLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000121672521 823227420 /nfs/dbraw/zinc/22/74/20/823227420.db2.gz YXZXGHLAMMMBSI-KBPBESRZSA-N 1 2 381.455 4.085 20 0 GIADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000459599275 823227568 /nfs/dbraw/zinc/22/75/68/823227568.db2.gz XMODBBSVDLKMQI-UHFFFAOYSA-N 1 2 393.413 4.147 20 0 GIADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000459599275 823227572 /nfs/dbraw/zinc/22/75/72/823227572.db2.gz XMODBBSVDLKMQI-UHFFFAOYSA-N 1 2 393.413 4.147 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc(-c2nccs2)c1 ZINC000056896038 823229508 /nfs/dbraw/zinc/22/95/08/823229508.db2.gz CMDRUIMJBVLRCP-UHFFFAOYSA-N 1 2 375.457 4.318 20 0 GIADLO COCCC1(C)C[NH+](Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000459630778 823233091 /nfs/dbraw/zinc/23/30/91/823233091.db2.gz JRRUFIFXHFFJAZ-UHFFFAOYSA-N 1 2 381.339 4.431 20 0 GIADLO COC(=O)c1ccc(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)c(Br)c1 ZINC000459634778 823234546 /nfs/dbraw/zinc/23/45/46/823234546.db2.gz RZQYXTYUZPFUCO-JTQLQIEISA-N 1 2 395.322 4.032 20 0 GIADLO Cc1ccc(-c2c[nH]cc2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000188405622 823235301 /nfs/dbraw/zinc/23/53/01/823235301.db2.gz QSOZZPCFVBEFBU-UHFFFAOYSA-N 1 2 380.517 4.367 20 0 GIADLO COc1cc2cc[nH+]c(N3CCC(NC(=O)CC4CCCC4)CC3)c2cc1F ZINC000571794985 823235275 /nfs/dbraw/zinc/23/52/75/823235275.db2.gz YOYQLGRSCSRAEB-UHFFFAOYSA-N 1 2 385.483 4.048 20 0 GIADLO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3ccc(F)cc3OC(F)F)n2)cc1 ZINC000121733708 823239431 /nfs/dbraw/zinc/23/94/31/823239431.db2.gz GPFXMRWTSBKFAR-CYBMUJFWSA-N 1 2 391.393 4.472 20 0 GIADLO CCOC(=O)C1CC[NH+]([C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 ZINC000057024360 823240303 /nfs/dbraw/zinc/24/03/03/823240303.db2.gz YICQSLNERZEXHU-JOCHJYFZSA-N 1 2 394.515 4.258 20 0 GIADLO CO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658929 823242795 /nfs/dbraw/zinc/24/27/95/823242795.db2.gz JMWSHDKBVOVDEJ-JSGCOSHPSA-N 1 2 378.460 4.032 20 0 GIADLO CO[C@@H](C)c1nc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658929 823242799 /nfs/dbraw/zinc/24/27/99/823242799.db2.gz JMWSHDKBVOVDEJ-JSGCOSHPSA-N 1 2 378.460 4.032 20 0 GIADLO O=C(NCCn1cc[nH+]c1)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000057035230 823242054 /nfs/dbraw/zinc/24/20/54/823242054.db2.gz YLRWPIBIIUOCLO-GOSISDBHSA-N 1 2 389.286 4.279 20 0 GIADLO COc1ccc2c(c1)CCC[C@H]2CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000057045956 823242987 /nfs/dbraw/zinc/24/29/87/823242987.db2.gz OSXQCGYVKNJULU-NRFANRHFSA-N 1 2 389.499 4.066 20 0 GIADLO C[C@H]1CCN(C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000188485434 823248816 /nfs/dbraw/zinc/24/88/16/823248816.db2.gz ITQSMTRGETYYFR-SUMWQHHRSA-N 1 2 395.400 4.182 20 0 GIADLO O=S(=O)(c1ccccc1Cn1cc[nH+]c1)N(c1ccccc1F)C1CCCC1 ZINC000571906558 823252455 /nfs/dbraw/zinc/25/24/55/823252455.db2.gz MUXQGBFFKPCSSB-UHFFFAOYSA-N 1 2 399.491 4.208 20 0 GIADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121798526 823253683 /nfs/dbraw/zinc/25/36/83/823253683.db2.gz OQXBAQHININCBM-UHFFFAOYSA-N 1 2 393.318 4.330 20 0 GIADLO Cc1cccc2nc(C3CCN(C(=O)c4ccc(-n5cc[nH+]c5)cc4)CC3)oc21 ZINC000188515195 823254586 /nfs/dbraw/zinc/25/45/86/823254586.db2.gz YXZJSCHLFHJTPR-UHFFFAOYSA-N 1 2 386.455 4.342 20 0 GIADLO Cc1[nH]c2ccc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc2[nH+]1 ZINC000057153374 823255683 /nfs/dbraw/zinc/25/56/83/823255683.db2.gz DOGIGHFYLPVFIG-UHFFFAOYSA-N 1 2 385.349 4.328 20 0 GIADLO Cc1cc(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)cc(N2CCCC2)n1 ZINC000571963870 823261402 /nfs/dbraw/zinc/26/14/02/823261402.db2.gz ULJKDWOQZFFDQH-HSZRJFAPSA-N 1 2 376.479 4.404 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000121879049 823268919 /nfs/dbraw/zinc/26/89/19/823268919.db2.gz HUMBTAFPTVNHQD-ZUZCIYMTSA-N 1 2 399.239 4.039 20 0 GIADLO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c3ccn(C)n3)ccc21 ZINC000459786802 823265261 /nfs/dbraw/zinc/26/52/61/823265261.db2.gz KYFOFDIMPFSZJB-HOTGVXAUSA-N 1 2 389.503 4.226 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2SC)ccc1OC(F)F ZINC000003540964 817481291 /nfs/dbraw/zinc/48/12/91/817481291.db2.gz KVCJRQOHWRXJFO-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)ccc1OC(F)F ZINC000003540964 817481297 /nfs/dbraw/zinc/48/12/97/817481297.db2.gz KVCJRQOHWRXJFO-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO Cc1c([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cc4c(s3)CCCC4)o2)cnn1C ZINC000121867157 823266443 /nfs/dbraw/zinc/26/64/43/823266443.db2.gz DRDZBGDWIKTBEX-INIZCTEOSA-N 1 2 383.521 4.056 20 0 GIADLO Cc1c([C@@H]2CCC[N@H+]2Cc2nnc(-c3cc4c(s3)CCCC4)o2)cnn1C ZINC000121867157 823266451 /nfs/dbraw/zinc/26/64/51/823266451.db2.gz DRDZBGDWIKTBEX-INIZCTEOSA-N 1 2 383.521 4.056 20 0 GIADLO CC(C)c1cccc(C(C)C)c1NC(=O)Cn1c2ccccc2[nH+]c1NCCO ZINC000005185474 817558119 /nfs/dbraw/zinc/55/81/19/817558119.db2.gz UMLUQNUUAXZDEQ-UHFFFAOYSA-N 1 2 394.519 4.326 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(F)ccc2Br)c1C ZINC000176713386 823274933 /nfs/dbraw/zinc/27/49/33/823274933.db2.gz GEOANKWBXZSIGH-UHFFFAOYSA-N 1 2 396.260 4.273 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccc2c(c1)OCO2 ZINC000121905152 823274224 /nfs/dbraw/zinc/27/42/24/823274224.db2.gz RZMYPCOHZVPOCL-GFCCVEGCSA-N 1 2 383.473 4.256 20 0 GIADLO Cc1nc(C(C)C)ccc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000460015767 823279248 /nfs/dbraw/zinc/27/92/48/823279248.db2.gz UTHQPFHLAQBYJD-IRXDYDNUSA-N 1 2 381.520 4.375 20 0 GIADLO Cc1cccnc1[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)C ZINC000572079321 823279391 /nfs/dbraw/zinc/27/93/91/823279391.db2.gz PDIHYICSDDFOSF-HXUWFJFHSA-N 1 2 395.551 4.209 20 0 GIADLO CCCc1occc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000409655387 823275141 /nfs/dbraw/zinc/27/51/41/823275141.db2.gz HAKFOANDPWBBEY-UHFFFAOYSA-N 1 2 377.448 4.121 20 0 GIADLO C[C@@H](c1ccccc1Cl)[N@H+](C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000121935967 823280545 /nfs/dbraw/zinc/28/05/45/823280545.db2.gz JABGJMKQBOAWRX-XOBRGWDASA-N 1 2 393.936 4.003 20 0 GIADLO C[C@@H](c1ccccc1Cl)[N@@H+](C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000121935967 823280551 /nfs/dbraw/zinc/28/05/51/823280551.db2.gz JABGJMKQBOAWRX-XOBRGWDASA-N 1 2 393.936 4.003 20 0 GIADLO CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000057342411 823280672 /nfs/dbraw/zinc/28/06/72/823280672.db2.gz APUCNGWYFZTWGX-UHFFFAOYSA-N 1 2 399.498 4.118 20 0 GIADLO C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000057374210 823284353 /nfs/dbraw/zinc/28/43/53/823284353.db2.gz RARYEKDFAOYSHR-LJQANCHMSA-N 1 2 376.504 4.183 20 0 GIADLO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000121972043 823286931 /nfs/dbraw/zinc/28/69/31/823286931.db2.gz MAZGMNCWLANDSL-RDTXWAMCSA-N 1 2 383.492 4.277 20 0 GIADLO C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000121972043 823286937 /nfs/dbraw/zinc/28/69/37/823286937.db2.gz MAZGMNCWLANDSL-RDTXWAMCSA-N 1 2 383.492 4.277 20 0 GIADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)Cc2cccs2)c1 ZINC000007289962 817811290 /nfs/dbraw/zinc/81/12/90/817811290.db2.gz PWDOIIGSRJPGQA-UHFFFAOYSA-N 1 2 393.512 4.379 20 0 GIADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)Cc2cccs2)c1 ZINC000007289962 817811299 /nfs/dbraw/zinc/81/12/99/817811299.db2.gz PWDOIIGSRJPGQA-UHFFFAOYSA-N 1 2 393.512 4.379 20 0 GIADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000057405948 823291869 /nfs/dbraw/zinc/29/18/69/823291869.db2.gz NYOLOUCKHMKPOA-UHFFFAOYSA-N 1 2 378.472 4.043 20 0 GIADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000057405948 823291873 /nfs/dbraw/zinc/29/18/73/823291873.db2.gz NYOLOUCKHMKPOA-UHFFFAOYSA-N 1 2 378.472 4.043 20 0 GIADLO Fc1ccc(-n2c(C[NH+]3CCCCC3)nnc2SCC[C@H]2CCCO2)cc1 ZINC000188713412 823290837 /nfs/dbraw/zinc/29/08/37/823290837.db2.gz XOLZDEAIDXQVNP-GOSISDBHSA-N 1 2 390.528 4.054 20 0 GIADLO COc1cccc(NC(=O)[C@H]([NH2+]Cc2ccccc2OC)c2ccccc2)c1 ZINC000007389441 817828831 /nfs/dbraw/zinc/82/88/31/817828831.db2.gz NLUSDJXUDFGJBT-JOCHJYFZSA-N 1 2 376.456 4.173 20 0 GIADLO Cc1ccnc([C@H](Nc2cc[nH+]c3c(Br)ccc(F)c23)C2CC2)n1 ZINC000409733482 823294242 /nfs/dbraw/zinc/29/42/42/823294242.db2.gz QTNWJHVAMILDIA-MRXNPFEDSA-N 1 2 387.256 4.220 20 0 GIADLO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ocnc1C1CC1 ZINC000572199378 823298708 /nfs/dbraw/zinc/29/87/08/823298708.db2.gz QMYUEOJPXSWPEE-GOSISDBHSA-N 1 2 393.512 4.143 20 0 GIADLO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ocnc1C1CC1 ZINC000572199378 823298712 /nfs/dbraw/zinc/29/87/12/823298712.db2.gz QMYUEOJPXSWPEE-GOSISDBHSA-N 1 2 393.512 4.143 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N[C@@H](C)Cc2c(F)cccc2F)s1 ZINC000122055711 823299449 /nfs/dbraw/zinc/29/94/49/823299449.db2.gz RHUPLYWTAQKPOI-GXTWGEPZSA-N 1 2 395.519 4.032 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N[C@@H](C)Cc2c(F)cccc2F)s1 ZINC000122055711 823299453 /nfs/dbraw/zinc/29/94/53/823299453.db2.gz RHUPLYWTAQKPOI-GXTWGEPZSA-N 1 2 395.519 4.032 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(Cc2ccc(C)o2)C2CC2)s1 ZINC000122096665 823305704 /nfs/dbraw/zinc/30/57/04/823305704.db2.gz VUMVSHYPNRNLNX-OAHLLOKOSA-N 1 2 375.538 4.099 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(Cc2ccc(C)o2)C2CC2)s1 ZINC000122096665 823305712 /nfs/dbraw/zinc/30/57/12/823305712.db2.gz VUMVSHYPNRNLNX-OAHLLOKOSA-N 1 2 375.538 4.099 20 0 GIADLO CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000011095878 818051957 /nfs/dbraw/zinc/05/19/57/818051957.db2.gz KCTZHQQSXZYXKK-GOSISDBHSA-N 1 2 393.531 4.033 20 0 GIADLO CCN1C[C@H](C[N@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)Oc2ccccc21 ZINC000011193443 818060277 /nfs/dbraw/zinc/06/02/77/818060277.db2.gz YJONMUMPCJVHJB-SFHVURJKSA-N 1 2 381.451 4.200 20 0 GIADLO CCN1C[C@H](C[N@@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)Oc2ccccc21 ZINC000011193443 818060280 /nfs/dbraw/zinc/06/02/80/818060280.db2.gz YJONMUMPCJVHJB-SFHVURJKSA-N 1 2 381.451 4.200 20 0 GIADLO CC(C)[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Br)s1)c1ccccc1 ZINC000011282635 818068443 /nfs/dbraw/zinc/06/84/43/818068443.db2.gz XUANJTXNSYYCCT-GOSISDBHSA-N 1 2 395.366 4.456 20 0 GIADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Br)s1)c1ccccc1 ZINC000011282635 818068452 /nfs/dbraw/zinc/06/84/52/818068452.db2.gz XUANJTXNSYYCCT-GOSISDBHSA-N 1 2 395.366 4.456 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCCCOc2ccc(C)cc2)c1C ZINC000057613301 823314820 /nfs/dbraw/zinc/31/48/20/823314820.db2.gz QKVCXDJNCDQSBW-UHFFFAOYSA-N 1 2 385.508 4.016 20 0 GIADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057570143 823310553 /nfs/dbraw/zinc/31/05/53/823310553.db2.gz NSNIKCVSGSSZSY-QZTJIDSGSA-N 1 2 383.511 4.488 20 0 GIADLO Cc1cc(-c2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)nc2ccccc12 ZINC000572293395 823314946 /nfs/dbraw/zinc/31/49/46/823314946.db2.gz VSAMRPVIXMTXKZ-UHFFFAOYSA-N 1 2 381.439 4.429 20 0 GIADLO CC[C@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1c(C)nn(C)c1C ZINC000122161895 823315039 /nfs/dbraw/zinc/31/50/39/823315039.db2.gz VMVGGAPDTWZYAU-HNNXBMFYSA-N 1 2 385.537 4.268 20 0 GIADLO CN(C)C(=O)Sc1cccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)c1 ZINC000176874316 823315100 /nfs/dbraw/zinc/31/51/00/823315100.db2.gz DRHUMVZVOURRGU-UHFFFAOYSA-N 1 2 391.924 4.184 20 0 GIADLO CN(C)C(=O)Sc1cccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)c1 ZINC000176874316 823315103 /nfs/dbraw/zinc/31/51/03/823315103.db2.gz DRHUMVZVOURRGU-UHFFFAOYSA-N 1 2 391.924 4.184 20 0 GIADLO C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1nc2ccccc2s1 ZINC000012439271 818159334 /nfs/dbraw/zinc/15/93/34/818159334.db2.gz JIJSAHPJSKUOLN-UHFFFAOYSA-N 1 2 378.457 4.047 20 0 GIADLO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1nc2ccccc2s1 ZINC000012439271 818159338 /nfs/dbraw/zinc/15/93/38/818159338.db2.gz JIJSAHPJSKUOLN-UHFFFAOYSA-N 1 2 378.457 4.047 20 0 GIADLO Cc1cccc(C([NH2+]Cc2cc(=O)n3ccsc3n2)c2cccc(C)c2)c1 ZINC000176885398 823317327 /nfs/dbraw/zinc/31/73/27/823317327.db2.gz VCXNPXIZMOLKMH-UHFFFAOYSA-N 1 2 375.497 4.252 20 0 GIADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000176885755 823317761 /nfs/dbraw/zinc/31/77/61/823317761.db2.gz VVVADARXQFGXBF-QGZVFWFLSA-N 1 2 375.900 4.136 20 0 GIADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000176885755 823317769 /nfs/dbraw/zinc/31/77/69/823317769.db2.gz VVVADARXQFGXBF-QGZVFWFLSA-N 1 2 375.900 4.136 20 0 GIADLO CC(C)(C)c1ncc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cn1 ZINC000572313972 823318470 /nfs/dbraw/zinc/31/84/70/823318470.db2.gz SUFJXDLUJHYADC-UHFFFAOYSA-N 1 2 375.476 4.226 20 0 GIADLO CCSc1ccc(Cl)cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000176909403 823321891 /nfs/dbraw/zinc/32/18/91/823321891.db2.gz FXZKNKDEJFOHPS-UHFFFAOYSA-N 1 2 375.925 4.377 20 0 GIADLO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000014320837 818234695 /nfs/dbraw/zinc/23/46/95/818234695.db2.gz MIGQQGUIRYUCRU-MRXNPFEDSA-N 1 2 384.907 4.112 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)CC1 ZINC000014526040 818249015 /nfs/dbraw/zinc/24/90/15/818249015.db2.gz ONHZALBHZDFVCX-UHFFFAOYSA-N 1 2 381.448 4.229 20 0 GIADLO C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)c1cn(-c2ccccc2)nn1 ZINC000409843440 823322937 /nfs/dbraw/zinc/32/29/37/823322937.db2.gz NVJFPWADQJMYIB-SUMWQHHRSA-N 1 2 399.292 4.204 20 0 GIADLO C[C@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1ccc(Cl)cc1Cl ZINC000409852378 823326360 /nfs/dbraw/zinc/32/63/60/823326360.db2.gz FNIHLQLGJSHIOD-JTQLQIEISA-N 1 2 376.280 4.387 20 0 GIADLO CC(C)C[C@H](C)OCCC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000122225796 823324212 /nfs/dbraw/zinc/32/42/12/823324212.db2.gz YNLOOUUNMFOUOW-IPMKNSEASA-N 1 2 376.541 4.076 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccccc2OCCn2cc[nH+]c2)o1 ZINC000409852985 823326739 /nfs/dbraw/zinc/32/67/39/823326739.db2.gz MAVZYXYFSBNYTO-XDNAFOTISA-N 1 2 391.471 4.421 20 0 GIADLO COC(=O)c1cccc(Oc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)c1 ZINC000015164807 818296648 /nfs/dbraw/zinc/29/66/48/818296648.db2.gz GPKXUDANUYPLQW-UHFFFAOYSA-N 1 2 397.500 4.483 20 0 GIADLO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccc(Br)s2)cc1C ZINC000015371841 818319103 /nfs/dbraw/zinc/31/91/03/818319103.db2.gz FRZJJBOIKPHOLC-CQSZACIVSA-N 1 2 395.366 4.437 20 0 GIADLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccc(Br)s2)cc1C ZINC000015371841 818319107 /nfs/dbraw/zinc/31/91/07/818319107.db2.gz FRZJJBOIKPHOLC-CQSZACIVSA-N 1 2 395.366 4.437 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000015377989 818319704 /nfs/dbraw/zinc/31/97/04/818319704.db2.gz YTYSBQCHSLXVAE-SFHVURJKSA-N 1 2 383.511 4.407 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000015547529 818337300 /nfs/dbraw/zinc/33/73/00/818337300.db2.gz ARGTZBUCXPIKSM-LJQANCHMSA-N 1 2 399.560 4.178 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000015547529 818337307 /nfs/dbraw/zinc/33/73/07/818337307.db2.gz ARGTZBUCXPIKSM-LJQANCHMSA-N 1 2 399.560 4.178 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3F)no2)c1 ZINC000188953836 823333193 /nfs/dbraw/zinc/33/31/93/823333193.db2.gz FKMAJVZDIUNVFA-SFHVURJKSA-N 1 2 383.423 4.230 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3F)no2)c1 ZINC000188953836 823333197 /nfs/dbraw/zinc/33/31/97/823333197.db2.gz FKMAJVZDIUNVFA-SFHVURJKSA-N 1 2 383.423 4.230 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3cc4ccccc4s3)CC2)nc(C(C)C)[nH+]1 ZINC000016103469 818393748 /nfs/dbraw/zinc/39/37/48/818393748.db2.gz JHJLBLZSDQSYKL-UHFFFAOYSA-N 1 2 380.517 4.086 20 0 GIADLO CCCN(CC1CCCCC1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000057796086 823334010 /nfs/dbraw/zinc/33/40/10/823334010.db2.gz QEALFMOCROAYEI-UHFFFAOYSA-N 1 2 387.568 4.021 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)C1(Cc2ccccc2Cl)CC1 ZINC000188968504 823335691 /nfs/dbraw/zinc/33/56/91/823335691.db2.gz FYDPDZXWLFIANE-UHFFFAOYSA-N 1 2 393.918 4.266 20 0 GIADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)Cc1ccc(Br)s1 ZINC000016341656 818426592 /nfs/dbraw/zinc/42/65/92/818426592.db2.gz JJLJADZQIFMKJA-ZDUSSCGKSA-N 1 2 393.350 4.310 20 0 GIADLO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)Cc1ccc(Br)s1 ZINC000016341656 818426597 /nfs/dbraw/zinc/42/65/97/818426597.db2.gz JJLJADZQIFMKJA-ZDUSSCGKSA-N 1 2 393.350 4.310 20 0 GIADLO C[N@H+](CCOc1ccccc1F)CC(=O)Nc1ccccc1SC(F)F ZINC000016422957 818441517 /nfs/dbraw/zinc/44/15/17/818441517.db2.gz HIWYREWGQFRDBK-UHFFFAOYSA-N 1 2 384.423 4.090 20 0 GIADLO C[N@@H+](CCOc1ccccc1F)CC(=O)Nc1ccccc1SC(F)F ZINC000016422957 818441527 /nfs/dbraw/zinc/44/15/27/818441527.db2.gz HIWYREWGQFRDBK-UHFFFAOYSA-N 1 2 384.423 4.090 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 ZINC000016591013 818457016 /nfs/dbraw/zinc/45/70/16/818457016.db2.gz GJNKFWWZTGLZMK-GFCCVEGCSA-N 1 2 397.302 4.470 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 ZINC000016591013 818457017 /nfs/dbraw/zinc/45/70/17/818457017.db2.gz GJNKFWWZTGLZMK-GFCCVEGCSA-N 1 2 397.302 4.470 20 0 GIADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000017744383 818526695 /nfs/dbraw/zinc/52/66/95/818526695.db2.gz MDSRSQREQNPWBE-UHFFFAOYSA-N 1 2 377.410 4.364 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3c[nH]nc3-c3ccsc3)n2)C1 ZINC000189053734 823349166 /nfs/dbraw/zinc/34/91/66/823349166.db2.gz LOMDKQPEGBXVEJ-GFCCVEGCSA-N 1 2 387.534 4.079 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c[nH]nc3-c3ccsc3)n2)C1 ZINC000189053734 823349173 /nfs/dbraw/zinc/34/91/73/823349173.db2.gz LOMDKQPEGBXVEJ-GFCCVEGCSA-N 1 2 387.534 4.079 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3cncc(Cl)c3)CC2)c(F)c1 ZINC000572493828 823349190 /nfs/dbraw/zinc/34/91/90/823349190.db2.gz BMQJBSCWFACGSG-AWEZNQCLSA-N 1 2 391.874 4.053 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)C2 ZINC000572464704 823345066 /nfs/dbraw/zinc/34/50/66/823345066.db2.gz YGMISGJWZQFPMX-GDZNZVCISA-N 1 2 375.875 4.103 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)CC2 ZINC000572464704 823345069 /nfs/dbraw/zinc/34/50/69/823345069.db2.gz YGMISGJWZQFPMX-GDZNZVCISA-N 1 2 375.875 4.103 20 0 GIADLO CC[C@@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)Oc1ccc(Cl)c(Cl)c1 ZINC000189071863 823352236 /nfs/dbraw/zinc/35/22/36/823352236.db2.gz MIBLGDCZSPONNC-KBPBESRZSA-N 1 2 396.318 4.068 20 0 GIADLO CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1cccc2[nH+]ccn21 ZINC000460324051 823353681 /nfs/dbraw/zinc/35/36/81/823353681.db2.gz KKSPBFQNBUKOGY-UHFFFAOYSA-N 1 2 393.447 4.213 20 0 GIADLO FC(F)C(F)(F)COCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000189091402 823356168 /nfs/dbraw/zinc/35/61/68/823356168.db2.gz IUOCACHSZNRYKT-AWEZNQCLSA-N 1 2 387.377 4.181 20 0 GIADLO FC(F)C(F)(F)COCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000189091402 823356173 /nfs/dbraw/zinc/35/61/73/823356173.db2.gz IUOCACHSZNRYKT-AWEZNQCLSA-N 1 2 387.377 4.181 20 0 GIADLO FC(F)C(F)(F)COCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000189091411 823356228 /nfs/dbraw/zinc/35/62/28/823356228.db2.gz IUOCACHSZNRYKT-CQSZACIVSA-N 1 2 387.377 4.181 20 0 GIADLO FC(F)C(F)(F)COCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000189091411 823356235 /nfs/dbraw/zinc/35/62/35/823356235.db2.gz IUOCACHSZNRYKT-CQSZACIVSA-N 1 2 387.377 4.181 20 0 GIADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000460344699 823359164 /nfs/dbraw/zinc/35/91/64/823359164.db2.gz BUDDMLJEQRYCEY-GJYPPUQNSA-N 1 2 379.460 4.003 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000122488705 823362074 /nfs/dbraw/zinc/36/20/74/823362074.db2.gz HTCBSKBDRDMOKV-UHFFFAOYSA-N 1 2 384.911 4.078 20 0 GIADLO C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000022291322 818790595 /nfs/dbraw/zinc/79/05/95/818790595.db2.gz QQKKUXCHXGXWON-AWEZNQCLSA-N 1 2 393.940 4.434 20 0 GIADLO CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000058103378 823361970 /nfs/dbraw/zinc/36/19/70/823361970.db2.gz GRZBLEOZZLLQJS-HNNXBMFYSA-N 1 2 392.952 4.138 20 0 GIADLO Fc1ccc(-c2nc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)no2)c(F)c1 ZINC000189168315 823368941 /nfs/dbraw/zinc/36/89/41/823368941.db2.gz MMCQNRCNOFIRKM-KUHUBIRLSA-N 1 2 385.414 4.272 20 0 GIADLO COc1ccccc1C[NH+]1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000022811197 818863124 /nfs/dbraw/zinc/86/31/24/818863124.db2.gz NEJKROHLNIIEGL-UHFFFAOYSA-N 1 2 385.558 4.198 20 0 GIADLO c1sc(Nc2ccccc2)nc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000122540529 823369452 /nfs/dbraw/zinc/36/94/52/823369452.db2.gz DPIJIAVNOLOMBN-OAQYLSRUSA-N 1 2 394.544 4.050 20 0 GIADLO Cc1cc(N2CCN(Cc3csc(-c4cccs4)n3)CC2)nc(C(C)C)[nH+]1 ZINC000058289148 823374851 /nfs/dbraw/zinc/37/48/51/823374851.db2.gz RWEQTXBWTGADGQ-UHFFFAOYSA-N 1 2 399.589 4.416 20 0 GIADLO Cc1cc(-c2ncccc2NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000189205806 823375730 /nfs/dbraw/zinc/37/57/30/823375730.db2.gz OWDZZBWQQUFRCP-KSSFIOAISA-N 1 2 381.505 4.430 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(c2ccc(Br)cc2)CCCCC1 ZINC000058298589 823375997 /nfs/dbraw/zinc/37/59/97/823375997.db2.gz PGIYGAGPAYXRKE-HNNXBMFYSA-N 1 2 390.325 4.052 20 0 GIADLO CCOc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc(OCC)c1OCC ZINC000023889519 818989974 /nfs/dbraw/zinc/98/99/74/818989974.db2.gz CPSKSXURDZKXJS-UHFFFAOYSA-N 1 2 395.459 4.321 20 0 GIADLO Cc1cc(Br)c(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1Cl ZINC000122593336 823378296 /nfs/dbraw/zinc/37/82/96/823378296.db2.gz JEJQKMGMNOVING-GFCCVEGCSA-N 1 2 397.704 4.304 20 0 GIADLO Cc1cc(Br)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000122598985 823379257 /nfs/dbraw/zinc/37/92/57/823379257.db2.gz YSIVKVHKXZKBSH-UHFFFAOYSA-N 1 2 397.704 4.476 20 0 GIADLO COCCCOC1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000122600766 823379605 /nfs/dbraw/zinc/37/96/05/823379605.db2.gz AEYGBGKVTBZXHO-UHFFFAOYSA-N 1 2 376.722 4.120 20 0 GIADLO Cc1cc(C)nc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000024054864 819016969 /nfs/dbraw/zinc/01/69/69/819016969.db2.gz YDHFHOYQLRCKQD-UHFFFAOYSA-N 1 2 394.469 4.283 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3CCCC(F)(F)C3)n2)C1 ZINC000410051711 823380394 /nfs/dbraw/zinc/38/03/94/823380394.db2.gz JQDJOPICWRXHFC-KBPBESRZSA-N 1 2 386.512 4.322 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3CCCC(F)(F)C3)n2)C1 ZINC000410051711 823380398 /nfs/dbraw/zinc/38/03/98/823380398.db2.gz JQDJOPICWRXHFC-KBPBESRZSA-N 1 2 386.512 4.322 20 0 GIADLO COCCCOC1CC[NH+](Cn2c(-c3ccccc3)csc2=S)CC1 ZINC000177148760 823382990 /nfs/dbraw/zinc/38/29/90/823382990.db2.gz PIGIAYZTJHCGSV-UHFFFAOYSA-N 1 2 378.563 4.421 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3nnc(-c4cc(C)oc4C)o3)CC2)cc1 ZINC000122643422 823386728 /nfs/dbraw/zinc/38/67/28/823386728.db2.gz ODDREVNAUMXHDZ-UHFFFAOYSA-N 1 2 395.459 4.050 20 0 GIADLO O[C@@H](C[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1)c1ccco1 ZINC000177159307 823386886 /nfs/dbraw/zinc/38/68/86/823386886.db2.gz FOHGEFSXFKMCER-IBGZPJMESA-N 1 2 393.418 4.205 20 0 GIADLO O[C@@H](C[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1)c1ccco1 ZINC000177159307 823386888 /nfs/dbraw/zinc/38/68/88/823386888.db2.gz FOHGEFSXFKMCER-IBGZPJMESA-N 1 2 393.418 4.205 20 0 GIADLO CO[C@@H]1C[N@H+](Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)CC[C@H]1C ZINC000189292221 823388570 /nfs/dbraw/zinc/38/85/70/823388570.db2.gz SNKMNNNLTFQROC-RHSMWYFYSA-N 1 2 397.544 4.125 20 0 GIADLO CO[C@@H]1C[N@@H+](Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)CC[C@H]1C ZINC000189292221 823388573 /nfs/dbraw/zinc/38/85/73/823388573.db2.gz SNKMNNNLTFQROC-RHSMWYFYSA-N 1 2 397.544 4.125 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccsc3Cl)CC2)c1 ZINC000189327842 823394821 /nfs/dbraw/zinc/39/48/21/823394821.db2.gz JIVAIAQNWBKDKA-ZDUSSCGKSA-N 1 2 379.913 4.321 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1O ZINC000177220382 823402877 /nfs/dbraw/zinc/40/28/77/823402877.db2.gz PSEANNUWVRNARN-UHFFFAOYSA-N 1 2 398.528 4.244 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1O ZINC000177220382 823402883 /nfs/dbraw/zinc/40/28/83/823402883.db2.gz PSEANNUWVRNARN-UHFFFAOYSA-N 1 2 398.528 4.244 20 0 GIADLO Fc1ccccc1-n1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000189380056 823404534 /nfs/dbraw/zinc/40/45/34/823404534.db2.gz AGDPXUNNOJUUQU-HNNXBMFYSA-N 1 2 393.388 4.064 20 0 GIADLO C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000572843405 823408518 /nfs/dbraw/zinc/40/85/18/823408518.db2.gz CWMWAIPSEYOOGA-QHCPKHFHSA-N 1 2 377.463 4.308 20 0 GIADLO Fc1ccccc1-n1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000189380056 823404540 /nfs/dbraw/zinc/40/45/40/823404540.db2.gz AGDPXUNNOJUUQU-HNNXBMFYSA-N 1 2 393.388 4.064 20 0 GIADLO CC(C)(C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1)c1cccc(Cl)c1F ZINC000572826797 823406310 /nfs/dbraw/zinc/40/63/10/823406310.db2.gz BETUWCJZWAQMLP-KRWDZBQOSA-N 1 2 376.838 4.393 20 0 GIADLO COc1cc(C[N@H+](C)Cn2c(=O)oc3cc(Cl)ccc32)ccc1SC ZINC000058540701 823406416 /nfs/dbraw/zinc/40/64/16/823406416.db2.gz IZGAJQUEORWLDG-UHFFFAOYSA-N 1 2 378.881 4.068 20 0 GIADLO COc1cc(C[N@@H+](C)Cn2c(=O)oc3cc(Cl)ccc32)ccc1SC ZINC000058540701 823406419 /nfs/dbraw/zinc/40/64/19/823406419.db2.gz IZGAJQUEORWLDG-UHFFFAOYSA-N 1 2 378.881 4.068 20 0 GIADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1c(Cl)cccc1Cl ZINC000189418082 823411677 /nfs/dbraw/zinc/41/16/77/823411677.db2.gz MUTVGDNOCGAPPN-UHFFFAOYSA-N 1 2 383.706 4.435 20 0 GIADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1c(Cl)cccc1Cl ZINC000189418082 823411681 /nfs/dbraw/zinc/41/16/81/823411681.db2.gz MUTVGDNOCGAPPN-UHFFFAOYSA-N 1 2 383.706 4.435 20 0 GIADLO Cn1c(COc2ccc(Cl)cc2)nn(C[NH+]2CCCCCCC2)c1=S ZINC000058591751 823413896 /nfs/dbraw/zinc/41/38/96/823413896.db2.gz FDMRSVDIHOLNPL-UHFFFAOYSA-N 1 2 380.945 4.407 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(Br)cc2)c1C ZINC000058601055 823414997 /nfs/dbraw/zinc/41/49/97/823414997.db2.gz LBBLGUISVWKJAS-UHFFFAOYSA-N 1 2 378.270 4.133 20 0 GIADLO C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000460519898 823416712 /nfs/dbraw/zinc/41/67/12/823416712.db2.gz PGVYBPDDUVJKEI-QGZVFWFLSA-N 1 2 394.906 4.045 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c1C ZINC000058624662 823418860 /nfs/dbraw/zinc/41/88/60/823418860.db2.gz PYOHLZLTNMJEDA-UHFFFAOYSA-N 1 2 398.507 4.274 20 0 GIADLO COc1ccccc1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000024673356 819863487 /nfs/dbraw/zinc/86/34/87/819863487.db2.gz LADOTDRMWVLGJI-UHFFFAOYSA-N 1 2 394.544 4.223 20 0 GIADLO CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410253575 823435301 /nfs/dbraw/zinc/43/53/01/823435301.db2.gz CTLFETGKFNFESQ-GHTZIAJQSA-N 1 2 381.520 4.091 20 0 GIADLO CSCc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000024887267 819888981 /nfs/dbraw/zinc/88/89/81/819888981.db2.gz XHJWAABLJILWNZ-CQSZACIVSA-N 1 2 375.563 4.490 20 0 GIADLO CSCc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000024887267 819888991 /nfs/dbraw/zinc/88/89/91/819888991.db2.gz XHJWAABLJILWNZ-CQSZACIVSA-N 1 2 375.563 4.490 20 0 GIADLO CC[C@@H](Oc1ccccc1C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410256117 823435991 /nfs/dbraw/zinc/43/59/91/823435991.db2.gz LNFPMOHCNQXBOS-AZUAARDMSA-N 1 2 381.520 4.091 20 0 GIADLO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410257767 823437206 /nfs/dbraw/zinc/43/72/06/823437206.db2.gz SFOGWGIWDGQQPD-WMZOPIPTSA-N 1 2 385.939 4.458 20 0 GIADLO Cn1c[nH+]cc1CC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000573035011 823437613 /nfs/dbraw/zinc/43/76/13/823437613.db2.gz FFOOZCAZXKEMNR-UHFFFAOYSA-N 1 2 375.350 4.412 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000025062417 819918656 /nfs/dbraw/zinc/91/86/56/819918656.db2.gz ZCIRSOOLPUXTJA-GOSISDBHSA-N 1 2 394.515 4.234 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cc(F)ccc3C)CC2)cc1 ZINC000025062404 819918683 /nfs/dbraw/zinc/91/86/83/819918683.db2.gz JJILIAOYSWRSNI-MRXNPFEDSA-N 1 2 398.478 4.065 20 0 GIADLO Clc1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)ccc1Br ZINC000189529848 823438277 /nfs/dbraw/zinc/43/82/77/823438277.db2.gz OIIULWWRSXVJGX-OAHLLOKOSA-N 1 2 388.733 4.263 20 0 GIADLO CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000189539835 823440165 /nfs/dbraw/zinc/44/01/65/823440165.db2.gz ICKASSDTXQLCCA-QGZVFWFLSA-N 1 2 391.437 4.064 20 0 GIADLO CCCOc1ccc(CCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410267875 823441707 /nfs/dbraw/zinc/44/17/07/823441707.db2.gz IEDLAWJXGLBFJZ-FQEVSTJZSA-N 1 2 395.547 4.347 20 0 GIADLO COc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1Cl ZINC000025416195 819977210 /nfs/dbraw/zinc/97/72/10/819977210.db2.gz UTHBDEOGMAPGIR-OAQYLSRUSA-N 1 2 381.863 4.061 20 0 GIADLO CC(C)(C)O[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410270772 823443195 /nfs/dbraw/zinc/44/31/95/823443195.db2.gz RWOYCPCAZFPONV-PZJWPPBQSA-N 1 2 395.547 4.482 20 0 GIADLO C[C@]1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCc2ccccc21 ZINC000410271732 823443569 /nfs/dbraw/zinc/44/35/69/823443569.db2.gz KFIJVXQROARVCF-CYFREDJKSA-N 1 2 377.532 4.220 20 0 GIADLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025534096 819998859 /nfs/dbraw/zinc/99/88/59/819998859.db2.gz PNWNFBDCKDSOJR-AWEZNQCLSA-N 1 2 396.409 4.443 20 0 GIADLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025534096 819998863 /nfs/dbraw/zinc/99/88/63/819998863.db2.gz PNWNFBDCKDSOJR-AWEZNQCLSA-N 1 2 396.409 4.443 20 0 GIADLO COc1ccc(-c2cc(C[NH+]3CCN(Cc4cccc(Cl)c4)CC3)on2)cc1 ZINC000025813264 820027934 /nfs/dbraw/zinc/02/79/34/820027934.db2.gz MTOMYMOIXILNEM-UHFFFAOYSA-N 1 2 397.906 4.321 20 0 GIADLO CCOc1ccc(CCC2CC[NH+](Cc3csc(NC(C)=O)n3)CC2)cc1 ZINC000025824129 820029104 /nfs/dbraw/zinc/02/91/04/820029104.db2.gz GVGJSIBRXFXDAM-UHFFFAOYSA-N 1 2 387.549 4.345 20 0 GIADLO O=C(c1cccc(C(F)(F)F)c1F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281527 823447294 /nfs/dbraw/zinc/44/72/94/823447294.db2.gz KOBVNLMFPJFQAX-ZDUSSCGKSA-N 1 2 395.400 4.397 20 0 GIADLO CC(C)Oc1ccc([C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000058794540 823453122 /nfs/dbraw/zinc/45/31/22/823453122.db2.gz SEMAMWMKCMHBIO-XMSQKQJNSA-N 1 2 398.572 4.441 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C)cc3)o2)c(OC)c1 ZINC000025928458 820040848 /nfs/dbraw/zinc/04/08/48/820040848.db2.gz CXOFOHSFUIUJDA-IBGZPJMESA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C)cc3)o2)c(OC)c1 ZINC000025928458 820040857 /nfs/dbraw/zinc/04/08/57/820040857.db2.gz CXOFOHSFUIUJDA-IBGZPJMESA-N 1 2 379.460 4.399 20 0 GIADLO CCn1cc(CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc21 ZINC000410284638 823448577 /nfs/dbraw/zinc/44/85/77/823448577.db2.gz BEOIFEIZGAUGLO-SFHVURJKSA-N 1 2 390.531 4.143 20 0 GIADLO Cc1cc(OCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)ccc1C(C)C ZINC000026214636 820070386 /nfs/dbraw/zinc/07/03/86/820070386.db2.gz YMRATXFYEAXTOG-UHFFFAOYSA-N 1 2 391.515 4.101 20 0 GIADLO Clc1ccc(O[C@H]2CC[N@H+](Cc3nnc(-c4ccco4)o3)C2)cc1Cl ZINC000177384396 823450595 /nfs/dbraw/zinc/45/05/95/823450595.db2.gz MWMHTZLFSQWKBR-LBPRGKRZSA-N 1 2 380.231 4.290 20 0 GIADLO Clc1ccc(O[C@H]2CC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)cc1Cl ZINC000177384396 823450597 /nfs/dbraw/zinc/45/05/97/823450597.db2.gz MWMHTZLFSQWKBR-LBPRGKRZSA-N 1 2 380.231 4.290 20 0 GIADLO CCSc1cc(C[NH2+]Cc2c(Br)cc(OC)cc2OC)ccn1 ZINC000189580719 823450746 /nfs/dbraw/zinc/45/07/46/823450746.db2.gz VAQQQDWNMIQVAB-UHFFFAOYSA-N 1 2 397.338 4.263 20 0 GIADLO C[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2C1 ZINC000410291646 823451670 /nfs/dbraw/zinc/45/16/70/823451670.db2.gz QHBTYGJKHCBGRZ-HZPDHXFCSA-N 1 2 383.561 4.426 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)C2CC2)cc1 ZINC000026476201 820102389 /nfs/dbraw/zinc/10/23/89/820102389.db2.gz KPXNBXSLGQSSKW-RPBOFIJWSA-N 1 2 385.511 4.337 20 0 GIADLO CCC[NH+](CCC)Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S ZINC000026607448 820120523 /nfs/dbraw/zinc/12/05/23/820120523.db2.gz ODJFBZMHHPICIZ-UHFFFAOYSA-N 1 2 387.553 4.319 20 0 GIADLO Cc1ccccc1C1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000410309976 823459379 /nfs/dbraw/zinc/45/93/79/823459379.db2.gz VJAPZEURYBBNEP-LJQANCHMSA-N 1 2 377.532 4.356 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1)Nc1c(F)cccc1F ZINC000026672980 820130945 /nfs/dbraw/zinc/13/09/45/820130945.db2.gz ROUWYQDGLWSUCW-CQSZACIVSA-N 1 2 380.822 4.100 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1)Nc1c(F)cccc1F ZINC000026672980 820130949 /nfs/dbraw/zinc/13/09/49/820130949.db2.gz ROUWYQDGLWSUCW-CQSZACIVSA-N 1 2 380.822 4.100 20 0 GIADLO CC[N@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1)Cc1ccc(Cl)s1 ZINC000026808016 820147739 /nfs/dbraw/zinc/14/77/39/820147739.db2.gz GZLFATQAFTVMNY-FQEVSTJZSA-N 1 2 392.952 4.500 20 0 GIADLO CC[N@@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1)Cc1ccc(Cl)s1 ZINC000026808016 820147745 /nfs/dbraw/zinc/14/77/45/820147745.db2.gz GZLFATQAFTVMNY-FQEVSTJZSA-N 1 2 392.952 4.500 20 0 GIADLO CSc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410302675 823456418 /nfs/dbraw/zinc/45/64/18/823456418.db2.gz BZIBMSMJLCAIHR-DLBZAZTESA-N 1 2 399.560 4.115 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)c1ccccc1F ZINC000026910553 820163268 /nfs/dbraw/zinc/16/32/68/820163268.db2.gz AYENQXKQIFKPHB-INIZCTEOSA-N 1 2 385.266 4.127 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)c1ccccc1F ZINC000026910553 820163271 /nfs/dbraw/zinc/16/32/71/820163271.db2.gz AYENQXKQIFKPHB-INIZCTEOSA-N 1 2 385.266 4.127 20 0 GIADLO Cc1ccccc1-n1cc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)nn1 ZINC000573161846 823457598 /nfs/dbraw/zinc/45/75/98/823457598.db2.gz LNKNTENKTVZDFX-UHFFFAOYSA-N 1 2 384.487 4.388 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NCc3ccc4c(c3)CC(C)(C)O4)CCCC2)no1 ZINC000123076492 823458211 /nfs/dbraw/zinc/45/82/11/823458211.db2.gz OJLGYPYNOBDACH-UHFFFAOYSA-N 1 2 398.551 4.184 20 0 GIADLO Cc1ccc(CSCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410307541 823458409 /nfs/dbraw/zinc/45/84/09/823458409.db2.gz LRICIFNGZPRAKM-IBGZPJMESA-N 1 2 383.561 4.167 20 0 GIADLO O=C(CCOc1ccc(Cl)cc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410312960 823460131 /nfs/dbraw/zinc/46/01/31/823460131.db2.gz IFNUWAMCMJHQSF-UHFFFAOYSA-N 1 2 387.911 4.201 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cccc(Br)c1 ZINC000410314266 823460431 /nfs/dbraw/zinc/46/04/31/823460431.db2.gz HBAWIFKFGCBQKJ-UHFFFAOYSA-N 1 2 388.309 4.155 20 0 GIADLO C[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000027354823 820230297 /nfs/dbraw/zinc/23/02/97/820230297.db2.gz ZIFZYQVCUAATGR-HSZRJFAPSA-N 1 2 388.467 4.270 20 0 GIADLO C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000027354823 820230300 /nfs/dbraw/zinc/23/03/00/820230300.db2.gz ZIFZYQVCUAATGR-HSZRJFAPSA-N 1 2 388.467 4.270 20 0 GIADLO O=C(CCSc1ccc(Cl)cc1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027471531 820248961 /nfs/dbraw/zinc/24/89/61/820248961.db2.gz FFQTXLIQEVSWFG-UHFFFAOYSA-N 1 2 399.947 4.426 20 0 GIADLO O=C(C[NH+]1CCN(C/C=C/c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000058889335 823466896 /nfs/dbraw/zinc/46/68/96/823466896.db2.gz NQCZMLHEHBUIKE-QPJJXVBHSA-N 1 2 378.560 4.103 20 0 GIADLO COC(=O)[C@@H](c1ccsc1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000410342772 823468065 /nfs/dbraw/zinc/46/80/65/823468065.db2.gz BKNIVINHZCHRGU-LJQANCHMSA-N 1 2 387.480 4.056 20 0 GIADLO COC(=O)[C@@H](c1ccsc1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000410342772 823468068 /nfs/dbraw/zinc/46/80/68/823468068.db2.gz BKNIVINHZCHRGU-LJQANCHMSA-N 1 2 387.480 4.056 20 0 GIADLO C[C@H]1CCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123140069 823469009 /nfs/dbraw/zinc/46/90/09/823469009.db2.gz WZGRHOZIHKZWAH-JTSKRJEESA-N 1 2 393.462 4.325 20 0 GIADLO COc1cccc(Cn2c3ccccc3[nH+]c2NCc2cnn(C(C)(C)C)c2)c1 ZINC000460661176 823469775 /nfs/dbraw/zinc/46/97/75/823469775.db2.gz JVVVIOKJHBZZFM-UHFFFAOYSA-N 1 2 389.503 4.079 20 0 GIADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000028682746 820350046 /nfs/dbraw/zinc/35/00/46/820350046.db2.gz VSHOOAITOXIBGC-ZIAGYGMSSA-N 1 2 393.940 4.434 20 0 GIADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000028682746 820350054 /nfs/dbraw/zinc/35/00/54/820350054.db2.gz VSHOOAITOXIBGC-ZIAGYGMSSA-N 1 2 393.940 4.434 20 0 GIADLO Cc1ccnn1-c1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000028684545 820351166 /nfs/dbraw/zinc/35/11/66/820351166.db2.gz SPBFTJBLEIDRST-HNNXBMFYSA-N 1 2 395.532 4.121 20 0 GIADLO Cc1ccnn1-c1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000028684545 820351176 /nfs/dbraw/zinc/35/11/76/820351176.db2.gz SPBFTJBLEIDRST-HNNXBMFYSA-N 1 2 395.532 4.121 20 0 GIADLO Cc1ccc(-c2nc(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cs2)cc1 ZINC000028695239 820352396 /nfs/dbraw/zinc/35/23/96/820352396.db2.gz JLQWSKRAHYJASC-UHFFFAOYSA-N 1 2 388.496 4.293 20 0 GIADLO COC[C@@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(OCC3CCCC3)CC2)c1C ZINC000177500009 823477224 /nfs/dbraw/zinc/47/72/24/823477224.db2.gz LGIHJWCQPDJRPB-GOSISDBHSA-N 1 2 390.568 4.166 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)Cc3ccc(-n4cccc4)cc3)n2)CC1 ZINC000028933881 820376009 /nfs/dbraw/zinc/37/60/09/820376009.db2.gz UCUKFWOBPZQJBO-UHFFFAOYSA-N 1 2 394.544 4.347 20 0 GIADLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3nccc4sccc43)CC2)c1C ZINC000573283657 823475566 /nfs/dbraw/zinc/47/55/66/823475566.db2.gz XTPVJLUVFHUMSI-KRWDZBQOSA-N 1 2 394.544 4.062 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccnc2Nc2ccccc2F)c1C ZINC000058958177 823476071 /nfs/dbraw/zinc/47/60/71/823476071.db2.gz XMVTVUXFPRNGKR-UHFFFAOYSA-N 1 2 394.450 4.257 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccsc2-n2c(C)ccc2C)c1C ZINC000058958309 823476358 /nfs/dbraw/zinc/47/63/58/823476358.db2.gz VFSBTICYPYQJTK-UHFFFAOYSA-N 1 2 383.517 4.448 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H](C)c3cccc(Cl)c3)CC2)cc1 ZINC000460694373 823483230 /nfs/dbraw/zinc/48/32/30/823483230.db2.gz XLJHFHJPCXIXFZ-QGZVFWFLSA-N 1 2 386.923 4.187 20 0 GIADLO C[N@@H+](Cc1cccc(Cl)c1)Cn1c(=O)oc2cc(Br)ccc21 ZINC000029502461 820464808 /nfs/dbraw/zinc/46/48/08/820464808.db2.gz PRYGJFOGQOLKSG-UHFFFAOYSA-N 1 2 381.657 4.100 20 0 GIADLO C[N@H+](Cc1cccc(Cl)c1)Cn1c(=O)oc2cc(Br)ccc21 ZINC000029502461 820464814 /nfs/dbraw/zinc/46/48/14/820464814.db2.gz PRYGJFOGQOLKSG-UHFFFAOYSA-N 1 2 381.657 4.100 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)c(Cl)cc1Cl ZINC000029668670 820495759 /nfs/dbraw/zinc/49/57/59/820495759.db2.gz WJRBUNGBCWZGFF-UHFFFAOYSA-N 1 2 378.234 4.307 20 0 GIADLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CCCCC2)cc1OCC ZINC000189734637 823484096 /nfs/dbraw/zinc/48/40/96/823484096.db2.gz HVYDVWWMUSMMAW-HZPDHXFCSA-N 1 2 387.528 4.388 20 0 GIADLO Cc1ccc(-c2nc(C[N@@H+](C)Cc3ccccc3N3CCOCC3)cs2)o1 ZINC000029708469 820503294 /nfs/dbraw/zinc/50/32/94/820503294.db2.gz SULKNHZJYJMELS-UHFFFAOYSA-N 1 2 383.517 4.180 20 0 GIADLO Cc1ccc(-c2nc(C[N@H+](C)Cc3ccccc3N3CCOCC3)cs2)o1 ZINC000029708469 820503302 /nfs/dbraw/zinc/50/33/02/820503302.db2.gz SULKNHZJYJMELS-UHFFFAOYSA-N 1 2 383.517 4.180 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1C ZINC000029825269 820525194 /nfs/dbraw/zinc/52/51/94/820525194.db2.gz IYMLLJGPXSMBIN-MRXNPFEDSA-N 1 2 379.460 4.038 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1C ZINC000029825269 820525199 /nfs/dbraw/zinc/52/51/99/820525199.db2.gz IYMLLJGPXSMBIN-MRXNPFEDSA-N 1 2 379.460 4.038 20 0 GIADLO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029915315 820547349 /nfs/dbraw/zinc/54/73/49/820547349.db2.gz UOTFUVYUKVKPEX-UHFFFAOYSA-N 1 2 391.862 4.331 20 0 GIADLO Cc1nc(-c2ccccc2)sc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000030030281 820571760 /nfs/dbraw/zinc/57/17/60/820571760.db2.gz ZVCBATPPIQFPBP-IBGZPJMESA-N 1 2 377.513 4.247 20 0 GIADLO Cc1nc(-c2ccccc2)sc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000030030281 820571764 /nfs/dbraw/zinc/57/17/64/820571764.db2.gz ZVCBATPPIQFPBP-IBGZPJMESA-N 1 2 377.513 4.247 20 0 GIADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+](C)Cc1ccc(Br)o1 ZINC000030218287 820589040 /nfs/dbraw/zinc/58/90/40/820589040.db2.gz DNNHPDDEFKVSBO-GFCCVEGCSA-N 1 2 395.322 4.001 20 0 GIADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030218287 820589046 /nfs/dbraw/zinc/58/90/46/820589046.db2.gz DNNHPDDEFKVSBO-GFCCVEGCSA-N 1 2 395.322 4.001 20 0 GIADLO COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000410413782 823490327 /nfs/dbraw/zinc/49/03/27/823490327.db2.gz NPSAMFQINHRWPQ-GUYCJALGSA-N 1 2 376.547 4.177 20 0 GIADLO COC(=O)[C@H](c1ccsc1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000410413782 823490328 /nfs/dbraw/zinc/49/03/28/823490328.db2.gz NPSAMFQINHRWPQ-GUYCJALGSA-N 1 2 376.547 4.177 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(-n3cccc3)c2)C[C@H](C)O1 ZINC000059308647 823491113 /nfs/dbraw/zinc/49/11/13/823491113.db2.gz ZFINXEMEDFZSAA-OALUTQOASA-N 1 2 389.499 4.339 20 0 GIADLO COc1cccc([C@@H]([NH2+]Cc2cnn(C(C)C)c2)c2cc(F)ccc2OC)c1 ZINC000177562456 823491885 /nfs/dbraw/zinc/49/18/85/823491885.db2.gz MPGFDBQQVGTELE-JOCHJYFZSA-N 1 2 383.467 4.500 20 0 GIADLO Cc1nc(-c2ccccc2)c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000030656187 820659059 /nfs/dbraw/zinc/65/90/59/820659059.db2.gz KNLPTBUBCQLVOI-UHFFFAOYSA-N 1 2 388.496 4.293 20 0 GIADLO CC[N@H+](CCOc1c(Cl)cccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000030673762 820663331 /nfs/dbraw/zinc/66/33/31/820663331.db2.gz IFLQLCHPPJIZIK-UHFFFAOYSA-N 1 2 392.286 4.131 20 0 GIADLO CC[N@@H+](CCOc1c(Cl)cccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000030673762 820663337 /nfs/dbraw/zinc/66/33/37/820663337.db2.gz IFLQLCHPPJIZIK-UHFFFAOYSA-N 1 2 392.286 4.131 20 0 GIADLO CNC(=O)Cc1nc(C[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)cs1 ZINC000177608946 823500353 /nfs/dbraw/zinc/50/03/53/823500353.db2.gz ABMUCRBVQKNWMQ-QGZVFWFLSA-N 1 2 377.941 4.202 20 0 GIADLO CNC(=O)Cc1nc(C[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)cs1 ZINC000177608946 823500356 /nfs/dbraw/zinc/50/03/56/823500356.db2.gz ABMUCRBVQKNWMQ-QGZVFWFLSA-N 1 2 377.941 4.202 20 0 GIADLO C[N@@H+]1CCN(C(=O)CCC(=O)c2ccc3ccccc3c2)[C@H](c2ccccc2)C1 ZINC000030997420 820718840 /nfs/dbraw/zinc/71/88/40/820718840.db2.gz WMALEWBYTLFSSC-QHCPKHFHSA-N 1 2 386.495 4.318 20 0 GIADLO C[N@H+]1CCN(C(=O)CCC(=O)c2ccc3ccccc3c2)[C@H](c2ccccc2)C1 ZINC000030997420 820718845 /nfs/dbraw/zinc/71/88/45/820718845.db2.gz WMALEWBYTLFSSC-QHCPKHFHSA-N 1 2 386.495 4.318 20 0 GIADLO CCOC[C@H]1CC[N@H+](Cn2nc(Nc3ccc(C)c(C)c3)sc2=S)C1 ZINC000177629094 823504276 /nfs/dbraw/zinc/50/42/76/823504276.db2.gz SJZOBEODQKYCMO-HNNXBMFYSA-N 1 2 378.567 4.350 20 0 GIADLO CCOC[C@H]1CC[N@@H+](Cn2nc(Nc3ccc(C)c(C)c3)sc2=S)C1 ZINC000177629094 823504280 /nfs/dbraw/zinc/50/42/80/823504280.db2.gz SJZOBEODQKYCMO-HNNXBMFYSA-N 1 2 378.567 4.350 20 0 GIADLO C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000060060530 823506225 /nfs/dbraw/zinc/50/62/25/823506225.db2.gz BTBXRRRWIUABGJ-HNNXBMFYSA-N 1 2 385.851 4.022 20 0 GIADLO COc1ccc2cc(C(=O)Nc3nc(C[N@@H+]4CCC[C@H](C)C4)cs3)[nH]c2c1 ZINC000031257867 820779767 /nfs/dbraw/zinc/77/97/67/820779767.db2.gz UEEOVVQAHVRNSU-ZDUSSCGKSA-N 1 2 384.505 4.117 20 0 GIADLO COc1ccc2cc(C(=O)Nc3nc(C[N@H+]4CCC[C@H](C)C4)cs3)[nH]c2c1 ZINC000031257867 820779772 /nfs/dbraw/zinc/77/97/72/820779772.db2.gz UEEOVVQAHVRNSU-ZDUSSCGKSA-N 1 2 384.505 4.117 20 0 GIADLO Cc1ccc(-c2nc(C)c(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)s2)o1 ZINC000031288121 820786301 /nfs/dbraw/zinc/78/63/01/820786301.db2.gz JWJSJIAMOBGOQY-UHFFFAOYSA-N 1 2 392.484 4.195 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](CC(C)(C)O)C2CC2)cs1)c1ccc(C)cc1C ZINC000189865132 823507862 /nfs/dbraw/zinc/50/78/62/823507862.db2.gz NFSIVWBCZRXPIS-UHFFFAOYSA-N 1 2 387.549 4.180 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](CC(C)(C)O)C2CC2)cs1)c1ccc(C)cc1C ZINC000189865132 823507865 /nfs/dbraw/zinc/50/78/65/823507865.db2.gz NFSIVWBCZRXPIS-UHFFFAOYSA-N 1 2 387.549 4.180 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000123425185 823507985 /nfs/dbraw/zinc/50/79/85/823507985.db2.gz ORVNZCXHRBYHAB-UHFFFAOYSA-N 1 2 391.431 4.023 20 0 GIADLO C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@H](C)[C@H](n5cc[nH+]c5)C4)cc3c2C1 ZINC000123427445 823508149 /nfs/dbraw/zinc/50/81/49/823508149.db2.gz XQHVTQLRYONMLR-ZMPRRUGASA-N 1 2 376.504 4.213 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1CSC1=NCCS1 ZINC000123428597 823508375 /nfs/dbraw/zinc/50/83/75/823508375.db2.gz AMOAWJJDRTUUSF-UHFFFAOYSA-N 1 2 394.525 4.461 20 0 GIADLO COc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1F ZINC000031894504 820871790 /nfs/dbraw/zinc/87/17/90/820871790.db2.gz XACCHQNDZBBNMV-KRWDZBQOSA-N 1 2 394.849 4.194 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000177728288 823517742 /nfs/dbraw/zinc/51/77/42/823517742.db2.gz ASBOHZYRNJVZPV-PWECECGKSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000177728288 823517745 /nfs/dbraw/zinc/51/77/45/823517745.db2.gz ASBOHZYRNJVZPV-PWECECGKSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000032198017 820902239 /nfs/dbraw/zinc/90/22/39/820902239.db2.gz DOKRAEYIDSCUQH-UHFFFAOYSA-N 1 2 393.462 4.056 20 0 GIADLO CCN(c1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1)C(C)C ZINC000060301003 823514582 /nfs/dbraw/zinc/51/45/82/823514582.db2.gz RZUFWUUUHYONAD-UHFFFAOYSA-N 1 2 392.503 4.449 20 0 GIADLO CC(C)c1cccc2c1CCN(C(=O)NCc1cc[nH+]c(N3CCCC3)c1)C2 ZINC000189943908 823516512 /nfs/dbraw/zinc/51/65/12/823516512.db2.gz UVAYPBFWKORWNZ-UHFFFAOYSA-N 1 2 378.520 4.073 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000177724242 823517031 /nfs/dbraw/zinc/51/70/31/823517031.db2.gz ISRKURVGQGWFCC-XELLLNAOSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000177724242 823517036 /nfs/dbraw/zinc/51/70/36/823517036.db2.gz ISRKURVGQGWFCC-XELLLNAOSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000177727248 823517449 /nfs/dbraw/zinc/51/74/49/823517449.db2.gz BQRDJXNWOHBNMS-OQRWROFFSA-N 1 2 386.561 4.353 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000177727248 823517453 /nfs/dbraw/zinc/51/74/53/823517453.db2.gz BQRDJXNWOHBNMS-OQRWROFFSA-N 1 2 386.561 4.353 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000177727275 823517460 /nfs/dbraw/zinc/51/74/60/823517460.db2.gz BQRDJXNWOHBNMS-RKOGDMNLSA-N 1 2 386.561 4.353 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000177727275 823517464 /nfs/dbraw/zinc/51/74/64/823517464.db2.gz BQRDJXNWOHBNMS-RKOGDMNLSA-N 1 2 386.561 4.353 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000032511247 820963898 /nfs/dbraw/zinc/96/38/98/820963898.db2.gz FEMPGWFEARBSLK-IAGOWNOFSA-N 1 2 395.484 4.449 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000032511247 820963903 /nfs/dbraw/zinc/96/39/03/820963903.db2.gz FEMPGWFEARBSLK-IAGOWNOFSA-N 1 2 395.484 4.449 20 0 GIADLO Brc1ccc(-c2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)nc1 ZINC000460822685 823522377 /nfs/dbraw/zinc/52/23/77/823522377.db2.gz MUBLUSRWMKUUKO-BAQGIRSFSA-N 1 2 394.232 4.250 20 0 GIADLO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)NC(=O)Nc1ccccc1 ZINC000036007210 821067535 /nfs/dbraw/zinc/06/75/35/821067535.db2.gz GLZXKKCSTAXHRX-LJQANCHMSA-N 1 2 397.525 4.105 20 0 GIADLO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)NC(=O)Nc1ccccc1 ZINC000036007210 821067547 /nfs/dbraw/zinc/06/75/47/821067547.db2.gz GLZXKKCSTAXHRX-LJQANCHMSA-N 1 2 397.525 4.105 20 0 GIADLO Cc1cc(C)c(NC(=O)c2c(F)cccc2I)c(C)[nH+]1 ZINC000177811337 823528871 /nfs/dbraw/zinc/52/88/71/823528871.db2.gz RJSDFMPTGVPOFR-UHFFFAOYSA-N 1 2 384.192 4.003 20 0 GIADLO O=C(CCOc1ccccc1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000036099802 821069214 /nfs/dbraw/zinc/06/92/14/821069214.db2.gz SLQMXNZEOSSFGN-IBGZPJMESA-N 1 2 390.886 4.201 20 0 GIADLO COc1ccc(CCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1 ZINC000036821761 821086246 /nfs/dbraw/zinc/08/62/46/821086246.db2.gz DVHRADYAXPVRPH-UHFFFAOYSA-N 1 2 394.544 4.207 20 0 GIADLO C[C@H]1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000123611207 823525478 /nfs/dbraw/zinc/52/54/78/823525478.db2.gz OMBBFNMKAOAHRZ-MAUKXSAKSA-N 1 2 376.460 4.139 20 0 GIADLO CC[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1F ZINC000123616770 823526248 /nfs/dbraw/zinc/52/62/48/823526248.db2.gz CTPRJRJNLNWSRW-FQEVSTJZSA-N 1 2 398.457 4.203 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc3ccccc3cc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000123669270 823530485 /nfs/dbraw/zinc/53/04/85/823530485.db2.gz GXPAIYYLDYNPAW-KBXCAEBGSA-N 1 2 385.414 4.361 20 0 GIADLO O=C(c1cccc2ccccc21)N1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000060467332 823531530 /nfs/dbraw/zinc/53/15/30/823531530.db2.gz UYWRIICMUAPBGW-UHFFFAOYSA-N 1 2 396.437 4.399 20 0 GIADLO Cc1csc(-c2cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)n1 ZINC000041320302 821183289 /nfs/dbraw/zinc/18/32/89/821183289.db2.gz ORUFAGVGYKBLQF-UHFFFAOYSA-N 1 2 377.513 4.077 20 0 GIADLO Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000123758319 823537998 /nfs/dbraw/zinc/53/79/98/823537998.db2.gz NXLBHWIXMZFPTK-UHFFFAOYSA-N 1 2 388.475 4.060 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c1C ZINC000060546098 823540589 /nfs/dbraw/zinc/54/05/89/823540589.db2.gz KGKRDOAJJYDABG-KRWDZBQOSA-N 1 2 385.508 4.397 20 0 GIADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C2CC2)o1 ZINC000042145827 821274668 /nfs/dbraw/zinc/27/46/68/821274668.db2.gz FAIQKRQDORDRLX-CDHQVMDDSA-N 1 2 380.488 4.007 20 0 GIADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C2CC2)o1 ZINC000042145827 821274675 /nfs/dbraw/zinc/27/46/75/821274675.db2.gz FAIQKRQDORDRLX-CDHQVMDDSA-N 1 2 380.488 4.007 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)c3ccc(F)c(F)c3)cn2c1 ZINC000042382389 821305547 /nfs/dbraw/zinc/30/55/47/821305547.db2.gz AIZQGIJFZJDKCV-ZDUSSCGKSA-N 1 2 375.444 4.032 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)NCCCO[C@@H](C)c3ccccc3)cn2c1 ZINC000042471163 821307874 /nfs/dbraw/zinc/30/78/74/821307874.db2.gz JMYXOSFGJGKDII-SFHVURJKSA-N 1 2 397.544 4.160 20 0 GIADLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)c(C)c1 ZINC000042632311 821316249 /nfs/dbraw/zinc/31/62/49/821316249.db2.gz NQOKTVWJBYYZTF-LAUBAEHRSA-N 1 2 391.471 4.312 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1nc(C)cs1 ZINC000043258563 821381362 /nfs/dbraw/zinc/38/13/62/821381362.db2.gz IPAHOAYQGVUXDQ-UHFFFAOYSA-N 1 2 399.520 4.171 20 0 GIADLO CC(C)(C)c1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000043315439 821390739 /nfs/dbraw/zinc/39/07/39/821390739.db2.gz MPKAKXJDYAMLCO-UHFFFAOYSA-N 1 2 381.520 4.138 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3SC)CC2)cc1 ZINC000043318043 821391581 /nfs/dbraw/zinc/39/15/81/821391581.db2.gz WNVBUHPVMGNDEI-UHFFFAOYSA-N 1 2 385.533 4.157 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180706369 821407105 /nfs/dbraw/zinc/40/71/05/821407105.db2.gz CUQXRPDQYLTNAJ-QGZVFWFLSA-N 1 2 380.414 4.085 20 0 GIADLO CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000180713234 821412079 /nfs/dbraw/zinc/41/20/79/821412079.db2.gz CYBHARMKOVFKBV-UHFFFAOYSA-N 1 2 392.459 4.401 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)Cc3nc4ccccc4s3)cn2c1 ZINC000043507793 821420478 /nfs/dbraw/zinc/42/04/78/821420478.db2.gz GNEQHQDFPCABHX-UHFFFAOYSA-N 1 2 396.541 4.144 20 0 GIADLO CCOCCOc1cc(C)ccc1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180740830 821428303 /nfs/dbraw/zinc/42/83/03/821428303.db2.gz YHLGNYUZJRZZBO-QHCPKHFHSA-N 1 2 397.494 4.162 20 0 GIADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000180756915 821436769 /nfs/dbraw/zinc/43/67/69/821436769.db2.gz UUJXOGRRULFDAN-HSZRJFAPSA-N 1 2 393.531 4.199 20 0 GIADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000180756915 821436775 /nfs/dbraw/zinc/43/67/75/821436775.db2.gz UUJXOGRRULFDAN-HSZRJFAPSA-N 1 2 393.531 4.199 20 0 GIADLO COc1ccc(OC)c(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000043676145 821440163 /nfs/dbraw/zinc/44/01/63/821440163.db2.gz WJUMRVPGRKGXKW-QFIPXVFZSA-N 1 2 376.456 4.173 20 0 GIADLO CC(=O)c1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](CCC(C)C)C3)cc1 ZINC000180790204 821460183 /nfs/dbraw/zinc/46/01/83/821460183.db2.gz OGYKVXWNKSNPDE-UHFFFAOYSA-N 1 2 386.517 4.052 20 0 GIADLO CC(=O)c1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](CCC(C)C)C3)cc1 ZINC000180790204 821460188 /nfs/dbraw/zinc/46/01/88/821460188.db2.gz OGYKVXWNKSNPDE-UHFFFAOYSA-N 1 2 386.517 4.052 20 0 GIADLO CCOC(=O)c1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)o1 ZINC000180796272 821463493 /nfs/dbraw/zinc/46/34/93/821463493.db2.gz SRGXBKVFOZUUNO-NRFANRHFSA-N 1 2 383.419 4.483 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)sc2C1 ZINC000180811143 821472882 /nfs/dbraw/zinc/47/28/82/821472882.db2.gz RAWZJQYGGGSQKZ-UHFFFAOYSA-N 1 2 375.803 4.056 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(C(F)(F)F)cc3Cl)sc2C1 ZINC000180811143 821472889 /nfs/dbraw/zinc/47/28/89/821472889.db2.gz RAWZJQYGGGSQKZ-UHFFFAOYSA-N 1 2 375.803 4.056 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000044005536 821500340 /nfs/dbraw/zinc/50/03/40/821500340.db2.gz LCHBLFINHHTMIT-UHFFFAOYSA-N 1 2 378.457 4.087 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439023 821587204 /nfs/dbraw/zinc/58/72/04/821587204.db2.gz LIQDXDLJTHZAGN-MRXNPFEDSA-N 1 2 398.457 4.226 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439023 821587209 /nfs/dbraw/zinc/58/72/09/821587209.db2.gz LIQDXDLJTHZAGN-MRXNPFEDSA-N 1 2 398.457 4.226 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438883 821587226 /nfs/dbraw/zinc/58/72/26/821587226.db2.gz UBVNYMNYZKBUGV-LLVKDONJSA-N 1 2 383.236 4.186 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438883 821587230 /nfs/dbraw/zinc/58/72/30/821587230.db2.gz UBVNYMNYZKBUGV-LLVKDONJSA-N 1 2 383.236 4.186 20 0 GIADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000181013362 821593509 /nfs/dbraw/zinc/59/35/09/821593509.db2.gz TZZPOOMYNJSVMY-HNNXBMFYSA-N 1 2 383.879 4.390 20 0 GIADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000181013362 821593514 /nfs/dbraw/zinc/59/35/14/821593514.db2.gz TZZPOOMYNJSVMY-HNNXBMFYSA-N 1 2 383.879 4.390 20 0 GIADLO C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568750 821611132 /nfs/dbraw/zinc/61/11/32/821611132.db2.gz YLPSJZOSSCAKDF-QVKFZJNVSA-N 1 2 389.455 4.053 20 0 GIADLO Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)CC3 ZINC000181079465 821622080 /nfs/dbraw/zinc/62/20/80/821622080.db2.gz SIQQCCMQIWFLQR-GOSISDBHSA-N 1 2 375.516 4.407 20 0 GIADLO Cc1oc2nc(C[NH2+][C@H](C)c3ccc(Br)cc3)nc(N)c2c1C ZINC000181109177 821638229 /nfs/dbraw/zinc/63/82/29/821638229.db2.gz FJQOTTYHTLBUDK-SNVBAGLBSA-N 1 2 375.270 4.035 20 0 GIADLO Cc1nscc1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000181139865 821659022 /nfs/dbraw/zinc/65/90/22/821659022.db2.gz FBLMOICMWHIOME-GOSISDBHSA-N 1 2 383.542 4.042 20 0 GIADLO Cc1nscc1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000181139865 821659030 /nfs/dbraw/zinc/65/90/30/821659030.db2.gz FBLMOICMWHIOME-GOSISDBHSA-N 1 2 383.542 4.042 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000044895757 821677652 /nfs/dbraw/zinc/67/76/52/821677652.db2.gz GWADEFLIAYZBGA-HXUWFJFHSA-N 1 2 397.906 4.008 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000044895757 821677658 /nfs/dbraw/zinc/67/76/58/821677658.db2.gz GWADEFLIAYZBGA-HXUWFJFHSA-N 1 2 397.906 4.008 20 0 GIADLO CC(C)C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2[nH]1 ZINC000044969755 821684143 /nfs/dbraw/zinc/68/41/43/821684143.db2.gz JQXFEBIJHGALRJ-NRFANRHFSA-N 1 2 387.487 4.325 20 0 GIADLO O=C1CC2(CC[NH+](Cc3cc4c(cc3Cl)OCO4)CC2)Oc2ccccc21 ZINC000044973640 821684909 /nfs/dbraw/zinc/68/49/09/821684909.db2.gz SJDKKYRBINRFGB-UHFFFAOYSA-N 1 2 385.847 4.069 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1nnc(-c2ccccc2)o1 ZINC000181265780 821724462 /nfs/dbraw/zinc/72/44/62/821724462.db2.gz AZBNIZUBPCSGKP-GJZGRUSLSA-N 1 2 378.432 4.105 20 0 GIADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)s1 ZINC000181276754 821730188 /nfs/dbraw/zinc/73/01/88/821730188.db2.gz WGRDWKDMWSYQJW-LLVKDONJSA-N 1 2 377.311 4.455 20 0 GIADLO C[C@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1cccc(N2CCCC2=O)c1 ZINC000181400611 821807327 /nfs/dbraw/zinc/80/73/27/821807327.db2.gz AJEGWJJWGHQCKG-HNNXBMFYSA-N 1 2 379.435 4.458 20 0 GIADLO Fc1ccc2c(C3=CC[N@H+](Cc4nnc(C5CC5)n4C4CC4)CC3)c[nH]c2c1 ZINC000181442556 821828379 /nfs/dbraw/zinc/82/83/79/821828379.db2.gz MZSPSUGNINXQTO-UHFFFAOYSA-N 1 2 377.467 4.400 20 0 GIADLO Fc1ccc2c(C3=CC[N@@H+](Cc4nnc(C5CC5)n4C4CC4)CC3)c[nH]c2c1 ZINC000181442556 821828387 /nfs/dbraw/zinc/82/83/87/821828387.db2.gz MZSPSUGNINXQTO-UHFFFAOYSA-N 1 2 377.467 4.400 20 0 GIADLO Cc1c([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)nnn1-c1cccc(Cl)c1 ZINC000181460468 821836695 /nfs/dbraw/zinc/83/66/95/821836695.db2.gz MIJZCCOYHKNLFA-CQSZACIVSA-N 1 2 398.894 4.241 20 0 GIADLO C[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)c1ccc(Cl)cc1 ZINC000181478789 821843910 /nfs/dbraw/zinc/84/39/10/821843910.db2.gz NWZAJJXZJYBWIA-CQSZACIVSA-N 1 2 399.853 4.190 20 0 GIADLO FC(F)(F)c1csc([C@H]2CCC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)n1 ZINC000181510244 821860581 /nfs/dbraw/zinc/86/05/81/821860581.db2.gz FTUHCPQSFQICBR-LBPRGKRZSA-N 1 2 397.470 4.345 20 0 GIADLO FC(F)(F)c1csc([C@H]2CCC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)n1 ZINC000181510244 821860592 /nfs/dbraw/zinc/86/05/92/821860592.db2.gz FTUHCPQSFQICBR-LBPRGKRZSA-N 1 2 397.470 4.345 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000181575095 821885549 /nfs/dbraw/zinc/88/55/49/821885549.db2.gz WJYLJZQFHFKGHS-UYAOXDASSA-N 1 2 390.478 4.006 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000181575095 821885558 /nfs/dbraw/zinc/88/55/58/821885558.db2.gz WJYLJZQFHFKGHS-UYAOXDASSA-N 1 2 390.478 4.006 20 0 GIADLO COC[C@H]([NH2+]Cc1csc(-c2cccc(OC)c2OC)n1)c1ccccc1 ZINC000181654543 821925600 /nfs/dbraw/zinc/92/56/00/821925600.db2.gz PSAOLAYBXZCGLX-SFHVURJKSA-N 1 2 384.501 4.305 20 0 GIADLO CC[C@@H]([NH2+]Cc1csc(C2CCCCC2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000181750724 821976630 /nfs/dbraw/zinc/97/66/30/821976630.db2.gz WADKOVCKKWIQAY-GOSISDBHSA-N 1 2 393.578 4.079 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)cc1Cl ZINC000181797521 821996400 /nfs/dbraw/zinc/99/64/00/821996400.db2.gz CCCCMGYFWTVDEB-UHFFFAOYSA-N 1 2 379.769 4.475 20 0 GIADLO Cc1ccc([C@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1[N+](=O)[O-] ZINC000181834459 822011603 /nfs/dbraw/zinc/01/16/03/822011603.db2.gz MZSWEIGEHGXRLB-ZDUSSCGKSA-N 1 2 382.376 4.317 20 0 GIADLO CC(C)C[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1nc(-c2nc[nH]n2)no1 ZINC000181946681 822042360 /nfs/dbraw/zinc/04/23/60/822042360.db2.gz XKJUIHINKKGOLV-INIZCTEOSA-N 1 2 396.426 4.131 20 0 GIADLO CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)c2C1 ZINC000182015559 822063203 /nfs/dbraw/zinc/06/32/03/822063203.db2.gz XGMFITICDVWKMP-OAHLLOKOSA-N 1 2 386.517 4.194 20 0 GIADLO CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)c2C1 ZINC000182015559 822063217 /nfs/dbraw/zinc/06/32/17/822063217.db2.gz XGMFITICDVWKMP-OAHLLOKOSA-N 1 2 386.517 4.194 20 0 GIADLO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1)c1ccccn1 ZINC000182172034 822130318 /nfs/dbraw/zinc/13/03/18/822130318.db2.gz MLVGNOYOPAUXBF-MWTRTKDXSA-N 1 2 375.472 4.489 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@H]3CCCc4nc(C)sc43)co2)cc1 ZINC000182336345 822206593 /nfs/dbraw/zinc/20/65/93/822206593.db2.gz PNHDOONEVFRMLO-SFHVURJKSA-N 1 2 397.500 4.403 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@H]3CCCc4nc(C)sc43)co2)cc1 ZINC000182336345 822206602 /nfs/dbraw/zinc/20/66/02/822206602.db2.gz PNHDOONEVFRMLO-SFHVURJKSA-N 1 2 397.500 4.403 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)c3cc(F)ccc3OC)co2)cc1 ZINC000182426845 822239809 /nfs/dbraw/zinc/23/98/09/822239809.db2.gz MHOIIODIDDTQLL-ZDUSSCGKSA-N 1 2 384.407 4.127 20 0 GIADLO Cn1c(=S)n(C[N@H+](C)Cc2cccc3ccccc32)nc1-c1ccccn1 ZINC000177976787 822266098 /nfs/dbraw/zinc/26/60/98/822266098.db2.gz BUTYOJIUZPLNLV-UHFFFAOYSA-N 1 2 375.501 4.256 20 0 GIADLO Cn1c(=S)n(C[N@@H+](C)Cc2cccc3ccccc32)nc1-c1ccccn1 ZINC000177976787 822266105 /nfs/dbraw/zinc/26/61/05/822266105.db2.gz BUTYOJIUZPLNLV-UHFFFAOYSA-N 1 2 375.501 4.256 20 0 GIADLO CC(=O)c1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000182508288 822273942 /nfs/dbraw/zinc/27/39/42/822273942.db2.gz VPGZMXHBBRFLQB-UHFFFAOYSA-N 1 2 382.851 4.109 20 0 GIADLO COc1ccccc1-c1nnc(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)o1 ZINC000182512929 822276453 /nfs/dbraw/zinc/27/64/53/822276453.db2.gz MVLZPXRMHDWKNP-GFCCVEGCSA-N 1 2 393.365 4.495 20 0 GIADLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2nc3sc(C)c(C)c3c(N)n2)c1 ZINC000182556768 822300957 /nfs/dbraw/zinc/30/09/57/822300957.db2.gz YMFTWNFMQIEVAU-NWDGAFQWSA-N 1 2 383.521 4.261 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182560354 822302849 /nfs/dbraw/zinc/30/28/49/822302849.db2.gz QDHQJKVPKYTCMW-HNNXBMFYSA-N 1 2 388.427 4.433 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182560369 822302915 /nfs/dbraw/zinc/30/29/15/822302915.db2.gz QDHQJKVPKYTCMW-OAHLLOKOSA-N 1 2 388.427 4.433 20 0 GIADLO COc1ccc([C@@H]([NH2+][C@H](C)c2ccoc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000178123811 822326477 /nfs/dbraw/zinc/32/64/77/822326477.db2.gz KGUFMSHOCBGNDT-QVKFZJNVSA-N 1 2 385.485 4.132 20 0 GIADLO O=c1cc(C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)c2ccc(O)cc2o1 ZINC000182712357 822357070 /nfs/dbraw/zinc/35/70/70/822357070.db2.gz ORVZABDRRBVGMZ-JOCHJYFZSA-N 1 2 392.842 4.426 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1csc(-c2ccccc2F)n1)C(=O)NCCc1ccccc1 ZINC000453408923 822358806 /nfs/dbraw/zinc/35/88/06/822358806.db2.gz OAUPHKOTHSFAIA-HZPDHXFCSA-N 1 2 397.519 4.347 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)sc2C1 ZINC000045050201 822359565 /nfs/dbraw/zinc/35/95/65/822359565.db2.gz FHZLUXGSMVQHIS-UHFFFAOYSA-N 1 2 375.925 4.235 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)sc2C1 ZINC000045050201 822359567 /nfs/dbraw/zinc/35/95/67/822359567.db2.gz FHZLUXGSMVQHIS-UHFFFAOYSA-N 1 2 375.925 4.235 20 0 GIADLO Cc1cccc(COc2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3)cc2)c1 ZINC000178290467 822363838 /nfs/dbraw/zinc/36/38/38/822363838.db2.gz PRFWLPYTYSRCER-UHFFFAOYSA-N 1 2 392.503 4.002 20 0 GIADLO CC(C)[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1 ZINC000045150797 822366197 /nfs/dbraw/zinc/36/61/97/822366197.db2.gz LVHYPAPQAVYHBW-JOCHJYFZSA-N 1 2 394.494 4.310 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H](c1ccco1)c1ccccc1 ZINC000045152256 822366367 /nfs/dbraw/zinc/36/63/67/822366367.db2.gz MJOMHHIIBZTGQS-JOCHJYFZSA-N 1 2 386.455 4.113 20 0 GIADLO Clc1ccc(-c2cc(CNc3ccccc3C[NH+]3CCOCC3)on2)cc1 ZINC000178315399 822366492 /nfs/dbraw/zinc/36/64/92/822366492.db2.gz VLXSJCRGEWXKSP-UHFFFAOYSA-N 1 2 383.879 4.439 20 0 GIADLO CC[N@H+](C)[C@@H](C(=O)Oc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000182784154 822367100 /nfs/dbraw/zinc/36/71/00/822367100.db2.gz IHHQWSZGOGVZAW-HXUWFJFHSA-N 1 2 378.428 4.130 20 0 GIADLO CC[N@@H+](C)[C@@H](C(=O)Oc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000182784154 822367102 /nfs/dbraw/zinc/36/71/02/822367102.db2.gz IHHQWSZGOGVZAW-HXUWFJFHSA-N 1 2 378.428 4.130 20 0 GIADLO O=C(N[C@@H]1CCc2cc(F)ccc21)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178331406 822367860 /nfs/dbraw/zinc/36/78/60/822367860.db2.gz BCOOGSJIOIELPE-BHIFYINESA-N 1 2 390.462 4.238 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cn3ncn(CCc4ccccn4)c3=S)C2)c1 ZINC000182796338 822368814 /nfs/dbraw/zinc/36/88/14/822368814.db2.gz UHWVMXWECUYDEG-IBGZPJMESA-N 1 2 393.560 4.116 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3ncn(CCc4ccccn4)c3=S)C2)c1 ZINC000182796338 822368818 /nfs/dbraw/zinc/36/88/18/822368818.db2.gz UHWVMXWECUYDEG-IBGZPJMESA-N 1 2 393.560 4.116 20 0 GIADLO C[C@@H](C[N@H+](C)Cn1c(=O)sc2c1CC[C@@H](C(C)(C)C)C2)c1nccs1 ZINC000182845662 822377718 /nfs/dbraw/zinc/37/77/18/822377718.db2.gz QFUADJUXPVQQKC-UONOGXRCSA-N 1 2 379.595 4.210 20 0 GIADLO C[C@@H](C[N@@H+](C)Cn1c(=O)sc2c1CC[C@@H](C(C)(C)C)C2)c1nccs1 ZINC000182845662 822377719 /nfs/dbraw/zinc/37/77/19/822377719.db2.gz QFUADJUXPVQQKC-UONOGXRCSA-N 1 2 379.595 4.210 20 0 GIADLO COc1cc(F)c([C@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1OC ZINC000178477877 822383241 /nfs/dbraw/zinc/38/32/41/822383241.db2.gz MBNFEZBBSKAQIK-HNNXBMFYSA-N 1 2 395.478 4.368 20 0 GIADLO Oc1ccc(C2=CC[N@H+](Cc3nc(-c4cc(F)c(F)c(F)c4)no3)CC2)cc1 ZINC000178511347 822386526 /nfs/dbraw/zinc/38/65/26/822386526.db2.gz CBDGNLXKEJAJFL-UHFFFAOYSA-N 1 2 387.361 4.149 20 0 GIADLO Oc1ccc(C2=CC[N@@H+](Cc3nc(-c4cc(F)c(F)c(F)c4)no3)CC2)cc1 ZINC000178511347 822386532 /nfs/dbraw/zinc/38/65/32/822386532.db2.gz CBDGNLXKEJAJFL-UHFFFAOYSA-N 1 2 387.361 4.149 20 0 GIADLO O=C(CSCc1cscn1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000178523671 822387717 /nfs/dbraw/zinc/38/77/17/822387717.db2.gz QQWBFTZEMPCWFR-UHFFFAOYSA-N 1 2 384.530 4.215 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(C(F)(F)F)nc1Cl ZINC000178545063 822390377 /nfs/dbraw/zinc/39/03/77/822390377.db2.gz RSMULWXXTWHLCR-UHFFFAOYSA-N 1 2 398.816 4.069 20 0 GIADLO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000182912496 822391522 /nfs/dbraw/zinc/39/15/22/822391522.db2.gz FNFSPEVHNOSECX-CQSZACIVSA-N 1 2 379.439 4.468 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc(C(F)(F)F)ccc1Br ZINC000178606342 822395787 /nfs/dbraw/zinc/39/57/87/822395787.db2.gz FXZYBFNIHJPLDV-UHFFFAOYSA-N 1 2 398.182 4.046 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000045606397 822399590 /nfs/dbraw/zinc/39/95/90/822399590.db2.gz LDLMYMPWGBXQKU-UHFFFAOYSA-N 1 2 388.515 4.096 20 0 GIADLO C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045640559 822401946 /nfs/dbraw/zinc/40/19/46/822401946.db2.gz ZOHXLFHXPNFSGP-OAHLLOKOSA-N 1 2 376.485 4.374 20 0 GIADLO C[C@@H](Nc1cccc(C(=O)NCc2ccccn2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182992463 822407068 /nfs/dbraw/zinc/40/70/68/822407068.db2.gz XGWSTEYYVHUODX-GOSISDBHSA-N 1 2 397.482 4.370 20 0 GIADLO O=C(CC1CCC(C(F)(F)F)CC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000182999766 822408476 /nfs/dbraw/zinc/40/84/76/822408476.db2.gz PIHZKOWBWHJGCW-UHFFFAOYSA-N 1 2 379.426 4.306 20 0 GIADLO CCCOc1ccc([C@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1OC ZINC000045815105 822415838 /nfs/dbraw/zinc/41/58/38/822415838.db2.gz UIBPJOAMMSTDOS-KRWDZBQOSA-N 1 2 393.487 4.220 20 0 GIADLO Cc1ncc(C[N@@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)s1 ZINC000178857234 822416848 /nfs/dbraw/zinc/41/68/48/822416848.db2.gz PTUOEDBUNVKPRM-UHFFFAOYSA-N 1 2 389.322 4.303 20 0 GIADLO Cc1ncc(C[N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)s1 ZINC000178857234 822416852 /nfs/dbraw/zinc/41/68/52/822416852.db2.gz PTUOEDBUNVKPRM-UHFFFAOYSA-N 1 2 389.322 4.303 20 0 GIADLO CCOc1ccc(-c2nc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)co2)cc1 ZINC000178862760 822417365 /nfs/dbraw/zinc/41/73/65/822417365.db2.gz YENRPTATQKJNDT-OAHLLOKOSA-N 1 2 389.496 4.085 20 0 GIADLO CCOc1ccc(-c2nc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)co2)cc1 ZINC000178862760 822417368 /nfs/dbraw/zinc/41/73/68/822417368.db2.gz YENRPTATQKJNDT-OAHLLOKOSA-N 1 2 389.496 4.085 20 0 GIADLO CCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C(C)(C)C ZINC000453872976 822417872 /nfs/dbraw/zinc/41/78/72/822417872.db2.gz GSZQTTKEUUUKQK-LJQANCHMSA-N 1 2 396.535 4.156 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(Cl)c1 ZINC000045841507 822418405 /nfs/dbraw/zinc/41/84/05/822418405.db2.gz JPHJULSCTOZHFW-IRXDYDNUSA-N 1 2 399.922 4.326 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(Cl)c1 ZINC000045841507 822418408 /nfs/dbraw/zinc/41/84/08/822418408.db2.gz JPHJULSCTOZHFW-IRXDYDNUSA-N 1 2 399.922 4.326 20 0 GIADLO Cc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1NC(=O)c1ccco1 ZINC000045860005 822419334 /nfs/dbraw/zinc/41/93/34/822419334.db2.gz DJSFRQGUBBDYNR-UHFFFAOYSA-N 1 2 386.411 4.278 20 0 GIADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3SCC#N)CC2)cc1 ZINC000045906887 822422942 /nfs/dbraw/zinc/42/29/42/822422942.db2.gz VYYLLDQWBJDAHG-UHFFFAOYSA-N 1 2 393.556 4.384 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2ncnn2CC(C)C)ccc1OCc1ccccc1 ZINC000183100376 822424445 /nfs/dbraw/zinc/42/44/45/822424445.db2.gz SKNQASLQPWPITJ-GOSISDBHSA-N 1 2 394.519 4.373 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000179000021 822428145 /nfs/dbraw/zinc/42/81/45/822428145.db2.gz QFOLMLIZACLFPM-XZOQPEGZSA-N 1 2 389.499 4.381 20 0 GIADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cccc(N(C)C)n1 ZINC000179031860 822431637 /nfs/dbraw/zinc/43/16/37/822431637.db2.gz FHMJYFGXFVFYCA-UHFFFAOYSA-N 1 2 383.927 4.400 20 0 GIADLO Cc1ccccc1Nc1nc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cs1 ZINC000183168974 822434794 /nfs/dbraw/zinc/43/47/94/822434794.db2.gz FDBMKEIFUYCDMI-AFMDSPMNSA-N 1 2 385.558 4.405 20 0 GIADLO CCO[C@@H](C)c1nc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cs1 ZINC000183170338 822435035 /nfs/dbraw/zinc/43/50/35/822435035.db2.gz DYAXQFXNPLFBIU-LBPRGKRZSA-N 1 2 388.459 4.293 20 0 GIADLO Cc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cnn1-c1cccc(Cl)c1 ZINC000046105512 822441304 /nfs/dbraw/zinc/44/13/04/822441304.db2.gz LVDIVYYWXPCIGY-UHFFFAOYSA-N 1 2 377.835 4.272 20 0 GIADLO O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046118642 822442137 /nfs/dbraw/zinc/44/21/37/822442137.db2.gz YSNVGRSQMFOVPL-UHFFFAOYSA-N 1 2 394.381 4.377 20 0 GIADLO Cc1cc(C)c(CNC(=O)NCc2ccc(COCc3ccccc3)cc2)c[nH+]1 ZINC000454258405 822444872 /nfs/dbraw/zinc/44/48/72/822444872.db2.gz MOTGKZJONBXNSV-UHFFFAOYSA-N 1 2 389.499 4.415 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000454259385 822445071 /nfs/dbraw/zinc/44/50/71/822445071.db2.gz UMOYZDMWYOSUAN-LJQANCHMSA-N 1 2 390.890 4.005 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000179174858 822447283 /nfs/dbraw/zinc/44/72/83/822447283.db2.gz PVWOSMVNWPAZQH-MGPUTAFESA-N 1 2 380.879 4.322 20 0 GIADLO C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ncc(Br)s1 ZINC000179202789 822450196 /nfs/dbraw/zinc/45/01/96/822450196.db2.gz VMGZCJGUDQRXGQ-LBPRGKRZSA-N 1 2 377.311 4.001 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ncc(Br)s1 ZINC000179213934 822452178 /nfs/dbraw/zinc/45/21/78/822452178.db2.gz FKAUGPOUBVOSFZ-RYUDHWBXSA-N 1 2 394.338 4.444 20 0 GIADLO Cc1cccnc1NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000046226208 822452390 /nfs/dbraw/zinc/45/23/90/822452390.db2.gz PIWVITMURIJIGW-MRXNPFEDSA-N 1 2 376.863 4.141 20 0 GIADLO C[C@@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ncc(Br)s1 ZINC000179223237 822453583 /nfs/dbraw/zinc/45/35/83/822453583.db2.gz GVLVJHNNEVCXJT-NOZJJQNGSA-N 1 2 395.244 4.006 20 0 GIADLO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)CCC2 ZINC000179229732 822454189 /nfs/dbraw/zinc/45/41/89/822454189.db2.gz ZRGPDZKYONKVPS-ZWKOTPCHSA-N 1 2 391.284 4.090 20 0 GIADLO Cc1ccc(C[NH2+][C@@H](C)c2ncc(Br)s2)c(O[C@@H]2CCOC2)c1 ZINC000179239295 822455970 /nfs/dbraw/zinc/45/59/70/822455970.db2.gz QJKBRQKRWMRNJH-GXTWGEPZSA-N 1 2 397.338 4.233 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cnn1C ZINC000183307523 822456738 /nfs/dbraw/zinc/45/67/38/822456738.db2.gz HOXJZVCZWVLCAM-ZJUUUORDSA-N 1 2 380.279 4.497 20 0 GIADLO COc1cc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc(OC)c1OC ZINC000183308436 822456956 /nfs/dbraw/zinc/45/69/56/822456956.db2.gz VADOXXHNTRVNMT-NRFANRHFSA-N 1 2 382.435 4.126 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2nc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000046344004 822463784 /nfs/dbraw/zinc/46/37/84/822463784.db2.gz USEXYVWHQSCFBJ-BETUJISGSA-N 1 2 394.302 4.250 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2nc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000046344004 822463785 /nfs/dbraw/zinc/46/37/85/822463785.db2.gz USEXYVWHQSCFBJ-BETUJISGSA-N 1 2 394.302 4.250 20 0 GIADLO Cc1noc(-c2ccccc2)c1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000183388329 822467305 /nfs/dbraw/zinc/46/73/05/822467305.db2.gz MSBKBUYPRVJJBJ-UHFFFAOYSA-N 1 2 392.484 4.478 20 0 GIADLO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000183406935 822469333 /nfs/dbraw/zinc/46/93/33/822469333.db2.gz ZEZQZNPAIYZAQZ-GMAHTHKFSA-N 1 2 390.483 4.068 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1OCC(F)(F)F ZINC000046467802 822475731 /nfs/dbraw/zinc/47/57/31/822475731.db2.gz SELCWTZKRPNNAV-OAHLLOKOSA-N 1 2 384.402 4.061 20 0 GIADLO CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000454511986 822487917 /nfs/dbraw/zinc/48/79/17/822487917.db2.gz OSUQVOIOGAZYJQ-UHFFFAOYSA-N 1 2 382.508 4.282 20 0 GIADLO O=C(Nc1ccc(COc2ccccc2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000179499191 822491801 /nfs/dbraw/zinc/49/18/01/822491801.db2.gz GJQFYYUVSLMRDD-FQEVSTJZSA-N 1 2 388.471 4.061 20 0 GIADLO O=C(CC(c1ccccc1)c1ccccc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046616678 822493303 /nfs/dbraw/zinc/49/33/03/822493303.db2.gz GHDXEJXWZBGKEK-UHFFFAOYSA-N 1 2 385.511 4.389 20 0 GIADLO Cc1c([C@@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3)n2)cnn1-c1ccc(F)cc1 ZINC000179527958 822497540 /nfs/dbraw/zinc/49/75/40/822497540.db2.gz BZNXMSUJWRBAIU-OAHLLOKOSA-N 1 2 393.441 4.495 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c[nH+]1 ZINC000454567626 822498021 /nfs/dbraw/zinc/49/80/21/822498021.db2.gz OHRRBXLWPQNRBU-UHFFFAOYSA-N 1 2 380.492 4.083 20 0 GIADLO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000183597848 822499351 /nfs/dbraw/zinc/49/93/51/822499351.db2.gz UMQNVCCFKVHKOF-PXAZEXFGSA-N 1 2 387.277 4.381 20 0 GIADLO CSc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000179543577 822500200 /nfs/dbraw/zinc/50/02/00/822500200.db2.gz JPBNRTNWXITHSS-MSOLQXFVSA-N 1 2 377.460 4.254 20 0 GIADLO CSc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000179543577 822500202 /nfs/dbraw/zinc/50/02/02/822500202.db2.gz JPBNRTNWXITHSS-MSOLQXFVSA-N 1 2 377.460 4.254 20 0 GIADLO C[C@H](NC(=O)N1CC2(CCC2)[C@H]1c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000454586698 822501537 /nfs/dbraw/zinc/50/15/37/822501537.db2.gz TXTFNNPOBKEBEV-OXJNMPFZSA-N 1 2 376.460 4.463 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2OC(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000179550860 822501861 /nfs/dbraw/zinc/50/18/61/822501861.db2.gz JMVRTAFLGIUVQY-WBVHZDCISA-N 1 2 397.372 4.133 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2OC(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000179550860 822501862 /nfs/dbraw/zinc/50/18/62/822501862.db2.gz JMVRTAFLGIUVQY-WBVHZDCISA-N 1 2 397.372 4.133 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000183617633 822501968 /nfs/dbraw/zinc/50/19/68/822501968.db2.gz HSRTTYMFRRWLHY-CYBMUJFWSA-N 1 2 381.448 4.260 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000183628759 822503360 /nfs/dbraw/zinc/50/33/60/822503360.db2.gz BZBKSNXFECGVEY-KRWDZBQOSA-N 1 2 384.549 4.259 20 0 GIADLO CC(C)([NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1)c1cccc(F)c1 ZINC000179572684 822505651 /nfs/dbraw/zinc/50/56/51/822505651.db2.gz WKXAVUDQXYRNPX-UHFFFAOYSA-N 1 2 383.492 4.488 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000183658183 822507025 /nfs/dbraw/zinc/50/70/25/822507025.db2.gz AKSOACIPORXSTK-OAHLLOKOSA-N 1 2 398.532 4.007 20 0 GIADLO CCC(=O)Nc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000183701183 822513640 /nfs/dbraw/zinc/51/36/40/822513640.db2.gz PCEBIKCJPYYWCB-HNNXBMFYSA-N 1 2 386.521 4.007 20 0 GIADLO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000179664032 822522826 /nfs/dbraw/zinc/52/28/26/822522826.db2.gz JMSWWOHSQKLDNJ-JKSUJKDBSA-N 1 2 392.507 4.396 20 0 GIADLO C[C@@H](c1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1)C(F)(F)F ZINC000454738820 822525841 /nfs/dbraw/zinc/52/58/41/822525841.db2.gz DURZHZQYIZMZQL-AWEZNQCLSA-N 1 2 377.410 4.146 20 0 GIADLO COCc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000179681677 822526226 /nfs/dbraw/zinc/52/62/26/822526226.db2.gz DORNDTXTEIKZBJ-OALUTQOASA-N 1 2 391.874 4.192 20 0 GIADLO COCc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000179681677 822526230 /nfs/dbraw/zinc/52/62/30/822526230.db2.gz DORNDTXTEIKZBJ-OALUTQOASA-N 1 2 391.874 4.192 20 0 GIADLO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000179701935 822530639 /nfs/dbraw/zinc/53/06/39/822530639.db2.gz HZBPHVIJGOXTNQ-QGZVFWFLSA-N 1 2 376.243 4.241 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2noc3c2CCCC3)ccc1OCc1ccncc1 ZINC000179703283 822531057 /nfs/dbraw/zinc/53/10/57/822531057.db2.gz MUBHNSBAVRZJCT-MRXNPFEDSA-N 1 2 393.487 4.387 20 0 GIADLO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000179707003 822531923 /nfs/dbraw/zinc/53/19/23/822531923.db2.gz VYYROUZIFGXVEH-GOSISDBHSA-N 1 2 384.480 4.366 20 0 GIADLO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000179707003 822531926 /nfs/dbraw/zinc/53/19/26/822531926.db2.gz VYYROUZIFGXVEH-GOSISDBHSA-N 1 2 384.480 4.366 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H](O)c1ccccc1Cl ZINC000179710020 822532566 /nfs/dbraw/zinc/53/25/66/822532566.db2.gz ZKATWLCCDNCQQQ-LJQANCHMSA-N 1 2 381.863 4.212 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cn(C)nc2-c2cccs2)c(C)c1 ZINC000179716428 822533921 /nfs/dbraw/zinc/53/39/21/822533921.db2.gz KQXDOJMJCGQSEG-UHFFFAOYSA-N 1 2 382.533 4.144 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cn(C)nc2-c2cccs2)c(C)c1 ZINC000179716428 822533923 /nfs/dbraw/zinc/53/39/23/822533923.db2.gz KQXDOJMJCGQSEG-UHFFFAOYSA-N 1 2 382.533 4.144 20 0 GIADLO CC[C@@H]([NH2+]Cc1nnnn1-c1c(C)cccc1C)c1ccccc1OC(F)F ZINC000179724804 822535778 /nfs/dbraw/zinc/53/57/78/822535778.db2.gz LFZWWYKJYSGFFL-MRXNPFEDSA-N 1 2 387.434 4.121 20 0 GIADLO c1nc(C2CCCC2)c(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)s1 ZINC000183854961 822536354 /nfs/dbraw/zinc/53/63/54/822536354.db2.gz UFCQYFYKYXUHPE-UHFFFAOYSA-N 1 2 396.516 4.350 20 0 GIADLO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(Cc2ccccc2)no1 ZINC000179727831 822536400 /nfs/dbraw/zinc/53/64/00/822536400.db2.gz KWOFDGZDFJNVMA-NYHFZMIOSA-N 1 2 391.471 4.234 20 0 GIADLO Cc1ccccc1-c1nc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)no1 ZINC000179733054 822537754 /nfs/dbraw/zinc/53/77/54/822537754.db2.gz MHIQXIOUVQBFOV-OAQYLSRUSA-N 1 2 377.444 4.057 20 0 GIADLO C[C@H]1CCc2c(sc3nc(C[NH2+][C@H](CCCO)c4ccccc4)nc(N)c23)C1 ZINC000179734258 822538287 /nfs/dbraw/zinc/53/82/87/822538287.db2.gz QDMYBMKIFYYWCR-WMLDXEAASA-N 1 2 396.560 4.002 20 0 GIADLO CCCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)[C@H](C)c1ccccc1Br ZINC000047028006 822538364 /nfs/dbraw/zinc/53/83/64/822538364.db2.gz OWCYLYXSDPYMPS-HUUCEWRRSA-N 1 2 393.329 4.217 20 0 GIADLO OC[C@@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1cccc(Br)c1 ZINC000183878548 822539667 /nfs/dbraw/zinc/53/96/67/822539667.db2.gz UQUGXZOPRDFFAI-QGZVFWFLSA-N 1 2 391.240 4.066 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(COc2ccccc2)cc1 ZINC000047123339 822545724 /nfs/dbraw/zinc/54/57/24/822545724.db2.gz ZQYLRTMDJPEVGH-UHFFFAOYSA-N 1 2 387.483 4.059 20 0 GIADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccccc2C(=O)c2ccccc2)s1 ZINC000183920223 822546696 /nfs/dbraw/zinc/54/66/96/822546696.db2.gz OHCDUHRXQXUQKN-UHFFFAOYSA-N 1 2 393.512 4.146 20 0 GIADLO C[N@@H+]1CCO[C@H]([C@H](NCc2coc(-c3ccccc3)n2)c2ccc(Cl)cc2)C1 ZINC000179764562 822546969 /nfs/dbraw/zinc/54/69/69/822546969.db2.gz AYKDXFUBKRNRHP-LEWJYISDSA-N 1 2 397.906 4.157 20 0 GIADLO C[N@H+]1CCO[C@H]([C@H](NCc2coc(-c3ccccc3)n2)c2ccc(Cl)cc2)C1 ZINC000179764562 822546972 /nfs/dbraw/zinc/54/69/72/822546972.db2.gz AYKDXFUBKRNRHP-LEWJYISDSA-N 1 2 397.906 4.157 20 0 GIADLO O=C(C[N@@H+]1CCc2sccc2C1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000047210659 822554701 /nfs/dbraw/zinc/55/47/01/822554701.db2.gz UMULJYOYMIDYAJ-JOCHJYFZSA-N 1 2 394.565 4.342 20 0 GIADLO O=C(C[N@H+]1CCc2sccc2C1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000047210659 822554702 /nfs/dbraw/zinc/55/47/02/822554702.db2.gz UMULJYOYMIDYAJ-JOCHJYFZSA-N 1 2 394.565 4.342 20 0 GIADLO C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000047258091 822559383 /nfs/dbraw/zinc/55/93/83/822559383.db2.gz JJRUAKHVSVZPDR-CQSZACIVSA-N 1 2 399.445 4.238 20 0 GIADLO C[C@H](CNC(=O)c1scnc1C1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000183999609 822561197 /nfs/dbraw/zinc/56/11/97/822561197.db2.gz LKGUVTRHXZXIQT-CYBMUJFWSA-N 1 2 375.563 4.039 20 0 GIADLO C[C@H](CNC(=O)c1scnc1C1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000183999609 822561199 /nfs/dbraw/zinc/56/11/99/822561199.db2.gz LKGUVTRHXZXIQT-CYBMUJFWSA-N 1 2 375.563 4.039 20 0 GIADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000184014131 822564273 /nfs/dbraw/zinc/56/42/73/822564273.db2.gz AQNIXHOQLKYOJV-OLZOCXBDSA-N 1 2 385.489 4.154 20 0 GIADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000184014131 822564276 /nfs/dbraw/zinc/56/42/76/822564276.db2.gz AQNIXHOQLKYOJV-OLZOCXBDSA-N 1 2 385.489 4.154 20 0 GIADLO C[C@H](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)Cc1ccc(Cl)cc1 ZINC000179849440 822566037 /nfs/dbraw/zinc/56/60/37/822566037.db2.gz MOZJQZHFPOTXFA-KRWDZBQOSA-N 1 2 381.907 4.470 20 0 GIADLO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000184029480 822567286 /nfs/dbraw/zinc/56/72/86/822567286.db2.gz SVHGKSKGBAACBI-VGSWGCGISA-N 1 2 378.520 4.063 20 0 GIADLO C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000047372015 822571891 /nfs/dbraw/zinc/57/18/91/822571891.db2.gz KVKCARSWRSOXNQ-CQSZACIVSA-N 1 2 392.956 4.429 20 0 GIADLO COc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2OC)c(Br)c1OC ZINC000179905204 822574369 /nfs/dbraw/zinc/57/43/69/822574369.db2.gz GXSARMSKNPCALV-NSHDSACASA-N 1 2 398.272 4.465 20 0 GIADLO CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)cc1 ZINC000179919095 822577114 /nfs/dbraw/zinc/57/71/14/822577114.db2.gz CPADQIDRHKHLRP-MRXNPFEDSA-N 1 2 388.537 4.007 20 0 GIADLO CN(C)c1ccc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c(C(F)(F)F)c1 ZINC000047417034 822577521 /nfs/dbraw/zinc/57/75/21/822577521.db2.gz JYPKTRVJAMDUOD-AWEZNQCLSA-N 1 2 392.425 4.022 20 0 GIADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000179940381 822581218 /nfs/dbraw/zinc/58/12/18/822581218.db2.gz GTHIQTOREKQTDS-LBPRGKRZSA-N 1 2 389.414 4.441 20 0 GIADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000179940381 822581220 /nfs/dbraw/zinc/58/12/20/822581220.db2.gz GTHIQTOREKQTDS-LBPRGKRZSA-N 1 2 389.414 4.441 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2cc(C)ccn2)cc1 ZINC000184120071 822581437 /nfs/dbraw/zinc/58/14/37/822581437.db2.gz SZQLRHGNLLADFI-UHFFFAOYSA-N 1 2 393.491 4.110 20 0 GIADLO O=C(CSc1ccc2ccccc2c1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000047475711 822582301 /nfs/dbraw/zinc/58/23/01/822582301.db2.gz UFNVIVMBSCPNGG-UHFFFAOYSA-N 1 2 387.508 4.493 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(-c2ccccc2F)on1 ZINC000047527912 822587529 /nfs/dbraw/zinc/58/75/29/822587529.db2.gz APGSITZAUASJLJ-UHFFFAOYSA-N 1 2 386.452 4.175 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184173706 822590698 /nfs/dbraw/zinc/59/06/98/822590698.db2.gz LXAXCMQUXILUAN-PBHICJAKSA-N 1 2 394.899 4.272 20 0 GIADLO Cc1ccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000047570029 822592079 /nfs/dbraw/zinc/59/20/79/822592079.db2.gz ACSMLDVZVKGYOJ-RTBURBONSA-N 1 2 381.520 4.234 20 0 GIADLO Cc1cc(C)c(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)c(Cl)c1 ZINC000184184367 822592321 /nfs/dbraw/zinc/59/23/21/822592321.db2.gz WOMAAQMDLYMCHJ-QGZVFWFLSA-N 1 2 378.900 4.492 20 0 GIADLO Cc1ccccc1-c1noc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)n1 ZINC000179993561 822592427 /nfs/dbraw/zinc/59/24/27/822592427.db2.gz CBTYRQJDZXIYFM-GJZGRUSLSA-N 1 2 376.460 4.342 20 0 GIADLO C[C@H]1CCN(C(=O)c2cccc(Br)c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000184189467 822593385 /nfs/dbraw/zinc/59/33/85/822593385.db2.gz NYPJMEJUQXCDNV-SMDDNHRTSA-N 1 2 382.689 4.022 20 0 GIADLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(-c4cccc(F)c4)o3)ccc2NC1=O ZINC000180004873 822594011 /nfs/dbraw/zinc/59/40/11/822594011.db2.gz SAIFPZKGDRDNBV-FZKQIMNGSA-N 1 2 395.434 4.441 20 0 GIADLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1nc2ccc(Cl)cc2n1C ZINC000180008131 822594886 /nfs/dbraw/zinc/59/48/86/822594886.db2.gz XYHXUEGLTNVMPX-LLVKDONJSA-N 1 2 398.816 4.414 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000184200624 822595048 /nfs/dbraw/zinc/59/50/48/822595048.db2.gz KLKJEFFENQBLLP-AUUYWEPGSA-N 1 2 375.513 4.289 20 0 GIADLO COc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1OC(C)C ZINC000184205433 822596056 /nfs/dbraw/zinc/59/60/56/822596056.db2.gz YKEWJGYYRMXWRZ-UHFFFAOYSA-N 1 2 394.475 4.049 20 0 GIADLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(-c4ccccc4)o3)ccc2NC1=O ZINC000180023104 822598682 /nfs/dbraw/zinc/59/86/82/822598682.db2.gz PVNJSCWWBSOHEZ-KSSFIOAISA-N 1 2 377.444 4.302 20 0 GIADLO CC(C)COc1cccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000047695607 822600384 /nfs/dbraw/zinc/60/03/84/822600384.db2.gz HHWJRVKDEBDNTM-UHFFFAOYSA-N 1 2 392.503 4.330 20 0 GIADLO Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1C ZINC000047911257 822618863 /nfs/dbraw/zinc/61/88/63/822618863.db2.gz RJDBYEGCYGXYPO-ICSRJNTNSA-N 1 2 393.314 4.139 20 0 GIADLO Cc1cccc(NC(=O)C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1C ZINC000047911257 822618866 /nfs/dbraw/zinc/61/88/66/822618866.db2.gz RJDBYEGCYGXYPO-ICSRJNTNSA-N 1 2 393.314 4.139 20 0 GIADLO CCc1c(NC(=O)NCc2c[nH+]c(C)cc2C)cnn1-c1ccccc1Cl ZINC000455260930 822620271 /nfs/dbraw/zinc/62/02/71/822620271.db2.gz LHFGUAVUOHBSLC-UHFFFAOYSA-N 1 2 383.883 4.422 20 0 GIADLO C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000047935351 822620915 /nfs/dbraw/zinc/62/09/15/822620915.db2.gz ZLPLICWFWZOUNT-CQSZACIVSA-N 1 2 392.425 4.130 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000180131361 822622113 /nfs/dbraw/zinc/62/21/13/822622113.db2.gz SCYLUMZTOYSIIK-LBPRGKRZSA-N 1 2 398.841 4.162 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccc3ccccc3n2)CC1 ZINC000184375867 822624314 /nfs/dbraw/zinc/62/43/14/822624314.db2.gz FFOWKLZRNZYWHK-IJDCCNJMSA-N 1 2 377.513 4.215 20 0 GIADLO C[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1nccs1 ZINC000184404437 822629247 /nfs/dbraw/zinc/62/92/47/822629247.db2.gz PRBLJLDDWSOPPJ-LIRRHRJNSA-N 1 2 383.542 4.030 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O)c1nc(C)cs1 ZINC000184420685 822631957 /nfs/dbraw/zinc/63/19/57/822631957.db2.gz SZQYNAZLNZKNCM-WFASDCNBSA-N 1 2 385.489 4.468 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)c2cccc(F)c2)cn1 ZINC000180185202 822634874 /nfs/dbraw/zinc/63/48/74/822634874.db2.gz GLQOWUFGXFNLCJ-LJQANCHMSA-N 1 2 393.384 4.380 20 0 GIADLO Fc1cccc(OC[C@@H]([NH2+]Cc2cnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000180207132 822639425 /nfs/dbraw/zinc/63/94/25/822639425.db2.gz MKTIDBBFZFONCE-GOSISDBHSA-N 1 2 379.357 4.478 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c(OC)c1 ZINC000184473473 822642088 /nfs/dbraw/zinc/64/20/88/822642088.db2.gz BUWAPCOJVKKEBS-CHWSQXEVSA-N 1 2 391.537 4.136 20 0 GIADLO C[C@H]([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)c1nc(C(C)(C)C)cs1 ZINC000184474317 822642330 /nfs/dbraw/zinc/64/23/30/822642330.db2.gz ZLTBICNJZVDKFJ-LBPRGKRZSA-N 1 2 397.491 4.009 20 0 GIADLO O=C(Nc1cccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c1)[C@H]1CCCO1 ZINC000180230442 822644476 /nfs/dbraw/zinc/64/44/76/822644476.db2.gz VXYWHSMKDSRSOK-DHIUTWEWSA-N 1 2 387.483 4.078 20 0 GIADLO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184517126 822649305 /nfs/dbraw/zinc/64/93/05/822649305.db2.gz ATYYANVOUPALAK-AWEZNQCLSA-N 1 2 379.485 4.302 20 0 GIADLO CCCCn1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(C)n1 ZINC000184538197 822653549 /nfs/dbraw/zinc/65/35/49/822653549.db2.gz NUXRESZGOLZFNX-UHFFFAOYSA-N 1 2 377.492 4.444 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)c1C ZINC000184554382 822656502 /nfs/dbraw/zinc/65/65/02/822656502.db2.gz JVRFJSHKYPGKIG-CYBMUJFWSA-N 1 2 388.895 4.228 20 0 GIADLO Cc1ccc(-c2cc(C[NH2+][C@@H](c3cnn(C)c3)c3ccc(F)cc3)on2)cc1 ZINC000184581107 822660998 /nfs/dbraw/zinc/66/09/98/822660998.db2.gz TZJPSHBFDPXYAJ-JOCHJYFZSA-N 1 2 376.435 4.402 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cn(C)nc3-c3ccccc3)n2)C1 ZINC000180308913 822661076 /nfs/dbraw/zinc/66/10/76/822661076.db2.gz XWPXUPCUUWQXFD-OAHLLOKOSA-N 1 2 395.532 4.028 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cn(C)nc3-c3ccccc3)n2)C1 ZINC000180308913 822661077 /nfs/dbraw/zinc/66/10/77/822661077.db2.gz XWPXUPCUUWQXFD-OAHLLOKOSA-N 1 2 395.532 4.028 20 0 GIADLO Cc1cc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1-c1ccncc1 ZINC000455505941 822667848 /nfs/dbraw/zinc/66/78/48/822667848.db2.gz KVODCIAFBITADV-SFHVURJKSA-N 1 2 375.476 4.202 20 0 GIADLO COC[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccco1 ZINC000184629140 822668228 /nfs/dbraw/zinc/66/82/28/822668228.db2.gz FSEVYTQIXNJLDO-UGKGYDQZSA-N 1 2 398.890 4.116 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)c1ccc(C)o1 ZINC000184672405 822673795 /nfs/dbraw/zinc/67/37/95/822673795.db2.gz IHRXVZLRSXVYQI-GCJKJVERSA-N 1 2 398.528 4.141 20 0 GIADLO COC[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)c1ccc(C)o1 ZINC000184672385 822673800 /nfs/dbraw/zinc/67/38/00/822673800.db2.gz IHRXVZLRSXVYQI-PGRDOPGGSA-N 1 2 398.528 4.141 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c[nH+]1 ZINC000455569045 822676148 /nfs/dbraw/zinc/67/61/48/822676148.db2.gz KDMMKESIWPZIPP-HNNXBMFYSA-N 1 2 382.439 4.068 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c[nH+]1 ZINC000455574218 822677011 /nfs/dbraw/zinc/67/70/11/822677011.db2.gz QMEKDHNNUCTUEW-KRWDZBQOSA-N 1 2 387.911 4.352 20 0 GIADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cs1 ZINC000184689045 822677000 /nfs/dbraw/zinc/67/70/00/822677000.db2.gz OYJARCPTNXNIAB-CHWSQXEVSA-N 1 2 388.562 4.013 20 0 GIADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]Cc1cccnc1N(C)C ZINC000048712356 822679423 /nfs/dbraw/zinc/67/94/23/822679423.db2.gz RNKBTNKCPHYWSI-UHFFFAOYSA-N 1 2 390.318 4.238 20 0 GIADLO COCCCn1c(SCCCn2cc[nH+]c2)nnc1-c1ccccc1Cl ZINC000180426567 822679685 /nfs/dbraw/zinc/67/96/85/822679685.db2.gz MBBSSZATEIPUHS-UHFFFAOYSA-N 1 2 391.928 4.014 20 0 GIADLO COc1cccc(-c2nnc(SCCCn3cc[nH+]c3)n2-c2ccccc2)c1 ZINC000180431517 822680531 /nfs/dbraw/zinc/68/05/31/822680531.db2.gz DUOHIDXEOCUKSL-UHFFFAOYSA-N 1 2 391.500 4.322 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cs1 ZINC000184714029 822680849 /nfs/dbraw/zinc/68/08/49/822680849.db2.gz IKWKUTFHWGYMEF-OAHLLOKOSA-N 1 2 397.544 4.177 20 0 GIADLO COC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(C)o1 ZINC000184718664 822681254 /nfs/dbraw/zinc/68/12/54/822681254.db2.gz PNAFANWRQPUCHW-LRDDRELGSA-N 1 2 385.291 4.049 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)N2CC[C@H](C)Sc3ccccc32)cs1 ZINC000184722890 822682053 /nfs/dbraw/zinc/68/20/53/822682053.db2.gz MUNJTHHGBGJVMN-KBPBESRZSA-N 1 2 375.563 4.274 20 0 GIADLO CC(C)c1nc([C@H](C)[NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)cs1 ZINC000184724330 822682207 /nfs/dbraw/zinc/68/22/07/822682207.db2.gz IFZYJOVLXBRLAU-KRWDZBQOSA-N 1 2 385.577 4.398 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cs1 ZINC000184734138 822683685 /nfs/dbraw/zinc/68/36/85/822683685.db2.gz MGMSWVQOOKFXLZ-NSHDSACASA-N 1 2 386.348 4.322 20 0 GIADLO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000455635012 822687785 /nfs/dbraw/zinc/68/77/85/822687785.db2.gz FJTIIRHOPJNOSQ-SNVBAGLBSA-N 1 2 388.777 4.373 20 0 GIADLO CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180481059 822689026 /nfs/dbraw/zinc/68/90/26/822689026.db2.gz CIHJWQBIFNYZSM-SFHVURJKSA-N 1 2 378.480 4.024 20 0 GIADLO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3nc([C@H](C)OC)no3)s2)cc1 ZINC000184787661 822690895 /nfs/dbraw/zinc/69/08/95/822690895.db2.gz NOGSGNDPGVQTKJ-YPMHNXCESA-N 1 2 388.493 4.068 20 0 GIADLO Cc1cccc(C[NH+](Cc2c[nH]nc2-c2cccnc2)Cc2cccc(C)n2)n1 ZINC000180523002 822695851 /nfs/dbraw/zinc/69/58/51/822695851.db2.gz CIFQOIJLFZQRMA-UHFFFAOYSA-N 1 2 384.487 4.081 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1ncc(-c2ccccc2)o1 ZINC000184889228 822707827 /nfs/dbraw/zinc/70/78/27/822707827.db2.gz VPQHQICQHKVLHA-ZDUSSCGKSA-N 1 2 387.386 4.232 20 0 GIADLO Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1C ZINC000184892546 822708754 /nfs/dbraw/zinc/70/87/54/822708754.db2.gz KXNJTXCFYVOGMM-QZTJIDSGSA-N 1 2 377.488 4.486 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ncc(-c2ccccc2)o1 ZINC000184898179 822709593 /nfs/dbraw/zinc/70/95/93/822709593.db2.gz QWXMRSHBWCMLMP-CYBMUJFWSA-N 1 2 387.386 4.232 20 0 GIADLO CCOc1ccc(-c2noc(C[NH2+][C@H](CC)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000180618345 822713595 /nfs/dbraw/zinc/71/35/95/822713595.db2.gz WLLAKNOJNLHYPP-GOSISDBHSA-N 1 2 395.459 4.147 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1 ZINC000184987634 822722315 /nfs/dbraw/zinc/72/23/15/822722315.db2.gz QMUZZSZBVFKBEX-NSHDSACASA-N 1 2 376.482 4.003 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)s1 ZINC000185003136 822724176 /nfs/dbraw/zinc/72/41/76/822724176.db2.gz DJVATDYVKRFRBU-HNNXBMFYSA-N 1 2 397.548 4.224 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 ZINC000185031334 822727337 /nfs/dbraw/zinc/72/73/37/822727337.db2.gz GYOXYMVOIRCGEG-AWEZNQCLSA-N 1 2 387.505 4.172 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)c1nccs1 ZINC000185039940 822727995 /nfs/dbraw/zinc/72/79/95/822727995.db2.gz FOEXWZUTEWQTGH-VQTJNVASSA-N 1 2 379.529 4.284 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1nccs1 ZINC000185068234 822732005 /nfs/dbraw/zinc/73/20/05/822732005.db2.gz BYJJBYINDFXNLJ-MRXNPFEDSA-N 1 2 389.908 4.414 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCCOCc3ccccc3)n2)C1 ZINC000050604020 822734535 /nfs/dbraw/zinc/73/45/35/822734535.db2.gz OLMQNGVRNOWFHJ-QGZVFWFLSA-N 1 2 387.549 4.311 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCOCc3ccccc3)n2)C1 ZINC000050604020 822734538 /nfs/dbraw/zinc/73/45/38/822734538.db2.gz OLMQNGVRNOWFHJ-QGZVFWFLSA-N 1 2 387.549 4.311 20 0 GIADLO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000050863146 822740552 /nfs/dbraw/zinc/74/05/52/822740552.db2.gz JFAILRNWTJDOPS-RBBKRZOGSA-N 1 2 375.472 4.112 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1cn(C)c2ccccc12 ZINC000185138503 822741706 /nfs/dbraw/zinc/74/17/06/822741706.db2.gz CSUNVGHAXLJVQZ-KRWDZBQOSA-N 1 2 388.471 4.196 20 0 GIADLO CC(=O)NC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 ZINC000050991843 822743737 /nfs/dbraw/zinc/74/37/37/822743737.db2.gz CDAQZESUVRJOAI-UHFFFAOYSA-N 1 2 395.547 4.001 20 0 GIADLO Cc1csc(C[NH2+]Cc2cc(Br)ccc2Br)n1 ZINC000185157843 822744185 /nfs/dbraw/zinc/74/41/85/822744185.db2.gz LJSSGBVCVIEPMY-UHFFFAOYSA-N 1 2 376.117 4.266 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1C ZINC000051334580 822756690 /nfs/dbraw/zinc/75/66/90/822756690.db2.gz ZVEGZIARXIQFEY-DENIHFKCSA-N 1 2 397.519 4.016 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000455964965 822758286 /nfs/dbraw/zinc/75/82/86/822758286.db2.gz DKNXDVAAWTXVGF-LLVKDONJSA-N 1 2 397.704 4.248 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3c(F)cc(F)cc3F)CC2)s1 ZINC000174280856 822762351 /nfs/dbraw/zinc/76/23/51/822762351.db2.gz BEMZNOQYYJPBMF-UHFFFAOYSA-N 1 2 383.439 4.078 20 0 GIADLO CSc1ccc(C)c(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000174283182 822762582 /nfs/dbraw/zinc/76/25/82/822762582.db2.gz NNHUNMBLQKHQNS-UHFFFAOYSA-N 1 2 383.561 4.182 20 0 GIADLO Cc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)ccc1C(F)(F)F ZINC000174296756 822765974 /nfs/dbraw/zinc/76/59/74/822765974.db2.gz DNSMQJJZNWFRBQ-HNNXBMFYSA-N 1 2 392.425 4.320 20 0 GIADLO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccncc1Cl ZINC000174302065 822767235 /nfs/dbraw/zinc/76/72/35/822767235.db2.gz YXERKKFDHDWCHO-UHFFFAOYSA-N 1 2 398.721 4.436 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2c(C)cc(Br)cc2C)c1C ZINC000051615074 822768664 /nfs/dbraw/zinc/76/86/64/822768664.db2.gz GHJNQNCRXXUVLT-UHFFFAOYSA-N 1 2 392.297 4.408 20 0 GIADLO COc1cccc2sc(NC(=O)C[N@H+](C)Cc3ccc(OC)c(F)c3)nc21 ZINC000051793137 822778472 /nfs/dbraw/zinc/77/84/72/822778472.db2.gz FBGYHYUSWBISNY-UHFFFAOYSA-N 1 2 389.452 4.173 20 0 GIADLO COc1cccc2sc(NC(=O)C[N@@H+](C)Cc3ccc(OC)c(F)c3)nc21 ZINC000051793137 822778476 /nfs/dbraw/zinc/77/84/76/822778476.db2.gz FBGYHYUSWBISNY-UHFFFAOYSA-N 1 2 389.452 4.173 20 0 GIADLO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3nc(Cc4ccccc4)no3)ccc2o1 ZINC000185403582 822779451 /nfs/dbraw/zinc/77/94/51/822779451.db2.gz VHMBFYRJFWVYCO-AWEZNQCLSA-N 1 2 391.427 4.044 20 0 GIADLO CC(C)Oc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC000052266728 822795280 /nfs/dbraw/zinc/79/52/80/822795280.db2.gz HUGDIYKPSSQJLU-UHFFFAOYSA-N 1 2 382.439 4.179 20 0 GIADLO Cc1ccc(SC[C@@H](C)NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000185568773 822797501 /nfs/dbraw/zinc/79/75/01/822797501.db2.gz AHKPWYGAJBYZDR-GOSISDBHSA-N 1 2 394.544 4.220 20 0 GIADLO Fc1ccc(-c2nnc(SCCCn3cc[nH+]c3)n2Cc2ccco2)cc1 ZINC000185620720 822803259 /nfs/dbraw/zinc/80/32/59/822803259.db2.gz LALFNXCYPQBFRB-UHFFFAOYSA-N 1 2 383.452 4.104 20 0 GIADLO c1cn(CCCSc2nnc(COc3ccccc3)n2-c2ccccc2)c[nH+]1 ZINC000185621202 822803274 /nfs/dbraw/zinc/80/32/74/822803274.db2.gz BVLLEVSDGLBQAZ-UHFFFAOYSA-N 1 2 391.500 4.225 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000052749772 822809585 /nfs/dbraw/zinc/80/95/85/822809585.db2.gz JCGVSHFSHJNGOG-INIZCTEOSA-N 1 2 390.462 4.308 20 0 GIADLO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000052802465 822810903 /nfs/dbraw/zinc/81/09/03/822810903.db2.gz OQPZETSRBAENBJ-JOCHJYFZSA-N 1 2 378.516 4.006 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)cc1Cl ZINC000052803745 822811105 /nfs/dbraw/zinc/81/11/05/822811105.db2.gz HHTIRMBEDWNPSF-HNNXBMFYSA-N 1 2 380.897 4.194 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)cc1Cl ZINC000052803745 822811108 /nfs/dbraw/zinc/81/11/08/822811108.db2.gz HHTIRMBEDWNPSF-HNNXBMFYSA-N 1 2 380.897 4.194 20 0 GIADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)on1 ZINC000052822460 822812007 /nfs/dbraw/zinc/81/20/07/822812007.db2.gz QAARCYOWBODWTH-MRXNPFEDSA-N 1 2 382.291 4.085 20 0 GIADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)on1 ZINC000052822460 822812010 /nfs/dbraw/zinc/81/20/10/822812010.db2.gz QAARCYOWBODWTH-MRXNPFEDSA-N 1 2 382.291 4.085 20 0 GIADLO Cc1ccc(F)c(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000174632783 822814977 /nfs/dbraw/zinc/81/49/77/822814977.db2.gz DAACNQAYTUUORK-QFIPXVFZSA-N 1 2 383.488 4.417 20 0 GIADLO CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000052910124 822815002 /nfs/dbraw/zinc/81/50/02/822815002.db2.gz DHXHZCLNYAKXDE-UHFFFAOYSA-N 1 2 392.459 4.149 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1nc(C(C)C)cs1 ZINC000174637750 822815779 /nfs/dbraw/zinc/81/57/79/822815779.db2.gz QBJRAWOJPSPGHV-UHFFFAOYSA-N 1 2 387.553 4.432 20 0 GIADLO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993735 822817967 /nfs/dbraw/zinc/81/79/67/822817967.db2.gz LUZBIIODLOCLLQ-NSHDSACASA-N 1 2 390.896 4.144 20 0 GIADLO CCCOc1cc(C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)ccc1OC ZINC000174655130 822818641 /nfs/dbraw/zinc/81/86/41/822818641.db2.gz RAGCMMSOFLDAAU-OAHLLOKOSA-N 1 2 397.475 4.393 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cc(Br)cs3)n2)c1 ZINC000174656281 822818922 /nfs/dbraw/zinc/81/89/22/822818922.db2.gz DXNKXYQMMYWWQV-SNVBAGLBSA-N 1 2 394.294 4.420 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(SC)c(OC)c3)n2)c1 ZINC000174656640 822819110 /nfs/dbraw/zinc/81/91/10/822819110.db2.gz YFFFRHURHODXLM-ZDUSSCGKSA-N 1 2 385.489 4.327 20 0 GIADLO O=C(Nc1cccc(-c2cc[nH]n2)c1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000185942059 822835632 /nfs/dbraw/zinc/83/56/32/822835632.db2.gz PFHAQZYTJZEMOU-FCHUYYIVSA-N 1 2 398.470 4.324 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000185955097 822836991 /nfs/dbraw/zinc/83/69/91/822836991.db2.gz OFTCHUSKAMXBQH-DGCLKSJQSA-N 1 2 383.439 4.180 20 0 GIADLO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456841569 822837255 /nfs/dbraw/zinc/83/72/55/822837255.db2.gz FLCZQBFRLFYYHB-UHFFFAOYSA-N 1 2 382.895 4.143 20 0 GIADLO CCCCCCOc1ccc(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000053513586 822838176 /nfs/dbraw/zinc/83/81/76/822838176.db2.gz LBFQBZJJWXIIDR-UHFFFAOYSA-N 1 2 395.547 4.368 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1C)c1nc(C(F)(F)F)cs1 ZINC000185964067 822838357 /nfs/dbraw/zinc/83/83/57/822838357.db2.gz KHTSEWBXGUYGCA-AWEZNQCLSA-N 1 2 385.455 4.170 20 0 GIADLO CC[C@H]([NH2+][C@H](C)C(=O)N1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000185964347 822838399 /nfs/dbraw/zinc/83/83/99/822838399.db2.gz JBYTUPURESBGEW-DOMZBBRYSA-N 1 2 397.466 4.176 20 0 GIADLO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC000174836539 822844067 /nfs/dbraw/zinc/84/40/67/822844067.db2.gz GYDGJJAPQRZJKV-UHFFFAOYSA-N 1 2 379.291 4.128 20 0 GIADLO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC000174836539 822844070 /nfs/dbraw/zinc/84/40/70/822844070.db2.gz GYDGJJAPQRZJKV-UHFFFAOYSA-N 1 2 379.291 4.128 20 0 GIADLO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000053681287 822844797 /nfs/dbraw/zinc/84/47/97/822844797.db2.gz WCVTWEGQBXWTQY-UHFFFAOYSA-N 1 2 397.862 4.224 20 0 GIADLO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000053681287 822844800 /nfs/dbraw/zinc/84/48/00/822844800.db2.gz WCVTWEGQBXWTQY-UHFFFAOYSA-N 1 2 397.862 4.224 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1Cl ZINC000053718275 822845756 /nfs/dbraw/zinc/84/57/56/822845756.db2.gz KSAWUPSHJNFNRA-QGZVFWFLSA-N 1 2 392.858 4.272 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1Cl ZINC000053718275 822845757 /nfs/dbraw/zinc/84/57/57/822845757.db2.gz KSAWUPSHJNFNRA-QGZVFWFLSA-N 1 2 392.858 4.272 20 0 GIADLO CCSc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)ccn1 ZINC000053792602 822848229 /nfs/dbraw/zinc/84/82/29/822848229.db2.gz UJCFRANLMXSVEW-CYBMUJFWSA-N 1 2 376.551 4.134 20 0 GIADLO CCSc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)ccn1 ZINC000053792602 822848233 /nfs/dbraw/zinc/84/82/33/822848233.db2.gz UJCFRANLMXSVEW-CYBMUJFWSA-N 1 2 376.551 4.134 20 0 GIADLO COc1ccccc1-c1nc(C[NH+]2CCN(c3cccc(C)c3)CC2)cs1 ZINC000053812797 822849100 /nfs/dbraw/zinc/84/91/00/822849100.db2.gz LXRNMGOSYISQGT-UHFFFAOYSA-N 1 2 379.529 4.449 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000174895874 822852010 /nfs/dbraw/zinc/85/20/10/822852010.db2.gz LPISYIOQRQNFCT-VQTJNVASSA-N 1 2 399.485 4.228 20 0 GIADLO CCCc1nc(C)c(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000174914285 822855196 /nfs/dbraw/zinc/85/51/96/822855196.db2.gz BQBQAVLUIZMBAV-UHFFFAOYSA-N 1 2 386.565 4.178 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000175037035 822871779 /nfs/dbraw/zinc/87/17/79/822871779.db2.gz NMQVHGJYOLCXRC-RTBURBONSA-N 1 2 390.597 4.004 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](Cc3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC000054302376 822874192 /nfs/dbraw/zinc/87/41/92/822874192.db2.gz SRNJYZDYSZFOOD-UHFFFAOYSA-N 1 2 375.472 4.448 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](Cc3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000054317604 822875949 /nfs/dbraw/zinc/87/59/49/822875949.db2.gz IHIJJWUVEPJZAR-UHFFFAOYSA-N 1 2 375.472 4.448 20 0 GIADLO CC[N@H+](Cc1nc(COc2ccc(F)cc2)no1)[C@H](C)c1cccc(OC)c1 ZINC000054339912 822876936 /nfs/dbraw/zinc/87/69/36/822876936.db2.gz GUGVWCSZMKYDIZ-OAHLLOKOSA-N 1 2 385.439 4.379 20 0 GIADLO CC[N@@H+](Cc1nc(COc2ccc(F)cc2)no1)[C@H](C)c1cccc(OC)c1 ZINC000054339912 822876940 /nfs/dbraw/zinc/87/69/40/822876940.db2.gz GUGVWCSZMKYDIZ-OAHLLOKOSA-N 1 2 385.439 4.379 20 0 GIADLO Cn1c(C[N@@H+](Cc2cccc(O)c2)CC2CC2)nnc1-c1ccc(Cl)cc1 ZINC000186338757 822878186 /nfs/dbraw/zinc/87/81/86/822878186.db2.gz IRDMQQDVOHXHGG-UHFFFAOYSA-N 1 2 382.895 4.253 20 0 GIADLO Cn1c(C[N@H+](Cc2cccc(O)c2)CC2CC2)nnc1-c1ccc(Cl)cc1 ZINC000186338757 822878191 /nfs/dbraw/zinc/87/81/91/822878191.db2.gz IRDMQQDVOHXHGG-UHFFFAOYSA-N 1 2 382.895 4.253 20 0 GIADLO Cc1cc(C)n2c(nc(=S)n2C[NH+]2CCC(CCc3ccccc3)CC2)n1 ZINC000054358854 822878317 /nfs/dbraw/zinc/87/83/17/822878317.db2.gz PCLMOLRNIMDMDD-UHFFFAOYSA-N 1 2 381.549 4.179 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3cccc4c3CCCN4)n2)C1 ZINC000569090451 822879337 /nfs/dbraw/zinc/87/93/37/822879337.db2.gz ZABRVOJCPTYJRS-OAHLLOKOSA-N 1 2 399.564 4.055 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3cccc4c3CCCN4)n2)C1 ZINC000569090451 822879342 /nfs/dbraw/zinc/87/93/42/822879342.db2.gz ZABRVOJCPTYJRS-OAHLLOKOSA-N 1 2 399.564 4.055 20 0 GIADLO CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2NC(C)=O)C1)c1ccccc1 ZINC000054390492 822881258 /nfs/dbraw/zinc/88/12/58/822881258.db2.gz MQLZNMSDTLGUNS-VGSWGCGISA-N 1 2 393.531 4.049 20 0 GIADLO CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2NC(C)=O)C1)c1ccccc1 ZINC000054390492 822881261 /nfs/dbraw/zinc/88/12/61/822881261.db2.gz MQLZNMSDTLGUNS-VGSWGCGISA-N 1 2 393.531 4.049 20 0 GIADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000569140012 822883144 /nfs/dbraw/zinc/88/31/44/822883144.db2.gz ZZACAGJBXZFJOP-FUHWJXTLSA-N 1 2 379.426 4.214 20 0 GIADLO COc1cc2cc[nH+]c(N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)c2cc1F ZINC000569146628 822883975 /nfs/dbraw/zinc/88/39/75/822883975.db2.gz POOZQGNVPOEFSW-HNNXBMFYSA-N 1 2 381.451 4.038 20 0 GIADLO CC[N@@H+](Cc1ccccc1C)Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S ZINC000054474365 822888728 /nfs/dbraw/zinc/88/87/28/822888728.db2.gz LRAGMAHZCVWQOF-UHFFFAOYSA-N 1 2 395.532 4.150 20 0 GIADLO CC[N@H+](Cc1ccccc1C)Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S ZINC000054474365 822888732 /nfs/dbraw/zinc/88/87/32/822888732.db2.gz LRAGMAHZCVWQOF-UHFFFAOYSA-N 1 2 395.532 4.150 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457554093 822890273 /nfs/dbraw/zinc/89/02/73/822890273.db2.gz JSFIKJZISLOXOZ-IUODEOHRSA-N 1 2 376.850 4.241 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457554093 822890279 /nfs/dbraw/zinc/89/02/79/822890279.db2.gz JSFIKJZISLOXOZ-IUODEOHRSA-N 1 2 376.850 4.241 20 0 GIADLO O=C(Nc1ccc(OC(F)F)c2cccnc12)c1cccc(-n2cc[nH+]c2)c1 ZINC000186416319 822890882 /nfs/dbraw/zinc/89/08/82/822890882.db2.gz PTWAPSQICDWKMK-UHFFFAOYSA-N 1 2 380.354 4.274 20 0 GIADLO CCn1c(=S)n(C[N@H+](C[C@H]2CCOC2)C2CC2)nc1-c1ccc(Cl)cc1 ZINC000054495358 822890877 /nfs/dbraw/zinc/89/08/77/822890877.db2.gz XVUDMNUGQXSPFD-CQSZACIVSA-N 1 2 392.956 4.213 20 0 GIADLO CCn1c(=S)n(C[N@@H+](C[C@H]2CCOC2)C2CC2)nc1-c1ccc(Cl)cc1 ZINC000054495358 822890881 /nfs/dbraw/zinc/89/08/81/822890881.db2.gz XVUDMNUGQXSPFD-CQSZACIVSA-N 1 2 392.956 4.213 20 0 GIADLO CC[C@@H](CC(F)F)C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000457566281 822892167 /nfs/dbraw/zinc/89/21/67/822892167.db2.gz BQSRUJIMVHORID-INIZCTEOSA-N 1 2 396.526 4.407 20 0 GIADLO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000175154866 822893767 /nfs/dbraw/zinc/89/37/67/822893767.db2.gz LJQFNIADNMCZKY-UHFFFAOYSA-N 1 2 396.535 4.330 20 0 GIADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000457593489 822895820 /nfs/dbraw/zinc/89/58/20/822895820.db2.gz HNMCFGRWWSPZFR-ZMSDIMECSA-N 1 2 398.473 4.333 20 0 GIADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000175166653 822896226 /nfs/dbraw/zinc/89/62/26/822896226.db2.gz VVUHRKUYGPKDNW-NRFANRHFSA-N 1 2 375.472 4.126 20 0 GIADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000175166653 822896232 /nfs/dbraw/zinc/89/62/32/822896232.db2.gz VVUHRKUYGPKDNW-NRFANRHFSA-N 1 2 375.472 4.126 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457663224 822903093 /nfs/dbraw/zinc/90/30/93/822903093.db2.gz HLDZCCJBWFVAPU-SELNLUPBSA-N 1 2 388.515 4.408 20 0 GIADLO CCSCC[C@@H](C)N(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175212089 822905473 /nfs/dbraw/zinc/90/54/73/822905473.db2.gz SYURGAYMKVUYEN-KURKYZTESA-N 1 2 393.597 4.291 20 0 GIADLO CCSCC[C@@H](C)N(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175212089 822905475 /nfs/dbraw/zinc/90/54/75/822905475.db2.gz SYURGAYMKVUYEN-KURKYZTESA-N 1 2 393.597 4.291 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)s1 ZINC000175249518 822913948 /nfs/dbraw/zinc/91/39/48/822913948.db2.gz KQGPCYHTNIXMNW-NWDGAFQWSA-N 1 2 382.327 4.200 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3cccc4cccnc43)n2)C1 ZINC000054813770 822915261 /nfs/dbraw/zinc/91/52/61/822915261.db2.gz ABIHCPPMGKESQC-OAHLLOKOSA-N 1 2 380.517 4.104 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3cccc4cccnc43)n2)C1 ZINC000054813770 822915264 /nfs/dbraw/zinc/91/52/64/822915264.db2.gz ABIHCPPMGKESQC-OAHLLOKOSA-N 1 2 380.517 4.104 20 0 GIADLO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000054820545 822915833 /nfs/dbraw/zinc/91/58/33/822915833.db2.gz CUWHZWZPHCXBLU-MRXNPFEDSA-N 1 2 383.521 4.156 20 0 GIADLO Cc1cc(OCc2ccccc2)c(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)s1 ZINC000457763857 822916431 /nfs/dbraw/zinc/91/64/31/822916431.db2.gz QWULZWCAWRIWEI-UHFFFAOYSA-N 1 2 395.528 4.441 20 0 GIADLO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000457769093 822916934 /nfs/dbraw/zinc/91/69/34/822916934.db2.gz TZGKJAOVDHPNDH-SFHVURJKSA-N 1 2 395.528 4.389 20 0 GIADLO C[C@](Cc1ccccc1)(NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000457775096 822918046 /nfs/dbraw/zinc/91/80/46/822918046.db2.gz MSMVDCJNMQDAMR-XMMPIXPASA-N 1 2 388.515 4.142 20 0 GIADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457778338 822918561 /nfs/dbraw/zinc/91/85/61/822918561.db2.gz SBZAKSFYZYRFQT-DAYGRLMNSA-N 1 2 394.441 4.192 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000457802505 822920733 /nfs/dbraw/zinc/92/07/33/822920733.db2.gz YUDPDTSGABZLNC-LVCYWYKZSA-N 1 2 378.520 4.027 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc3c2OCC3(C)C)C[C@@H](C)O1 ZINC000569432919 822922391 /nfs/dbraw/zinc/92/23/91/822922391.db2.gz OWDZXWVZLQFXNA-IAGOWNOFSA-N 1 2 394.515 4.218 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc3c2OCC3(C)C)C[C@H](C)O1 ZINC000569432957 822922458 /nfs/dbraw/zinc/92/24/58/822922458.db2.gz OWDZXWVZLQFXNA-IRXDYDNUSA-N 1 2 394.515 4.218 20 0 GIADLO CCc1ccc(C(C)(C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000175285029 822924413 /nfs/dbraw/zinc/92/44/13/822924413.db2.gz FMJBGRMFYCIRAP-UHFFFAOYSA-N 1 2 375.516 4.130 20 0 GIADLO Cc1cc(C)c(CNC(=O)NC(C)(C)c2ccc(Br)cc2)c[nH+]1 ZINC000457845125 822924814 /nfs/dbraw/zinc/92/48/14/822924814.db2.gz MOMCYGOBQGXVPH-UHFFFAOYSA-N 1 2 376.298 4.195 20 0 GIADLO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000569447857 822924917 /nfs/dbraw/zinc/92/49/17/822924917.db2.gz WXFNNWIYHQTCNL-SJLPKXTDSA-N 1 2 375.472 4.064 20 0 GIADLO Cc1cc(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1Br ZINC000457862014 822926369 /nfs/dbraw/zinc/92/63/69/822926369.db2.gz VJNNMOUYGCHXSX-CQSZACIVSA-N 1 2 390.325 4.025 20 0 GIADLO Cc1cc(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1Br ZINC000457862014 822926374 /nfs/dbraw/zinc/92/63/74/822926374.db2.gz VJNNMOUYGCHXSX-CQSZACIVSA-N 1 2 390.325 4.025 20 0 GIADLO Cn1c[nH+]c(CCNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 ZINC000457875418 822927659 /nfs/dbraw/zinc/92/76/59/822927659.db2.gz GCXKKCCNQXCAPA-UHFFFAOYSA-N 1 2 385.552 4.012 20 0 GIADLO C[C@@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1cccc(F)c1 ZINC000175299642 822928655 /nfs/dbraw/zinc/92/86/55/822928655.db2.gz XQXWHOQOMDEUHI-VGSWGCGISA-N 1 2 392.478 4.363 20 0 GIADLO CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000055018915 822932076 /nfs/dbraw/zinc/93/20/76/822932076.db2.gz APMDDYJWSHRFQM-IBGZPJMESA-N 1 2 397.523 4.300 20 0 GIADLO CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1=S ZINC000055018915 822932080 /nfs/dbraw/zinc/93/20/80/822932080.db2.gz APMDDYJWSHRFQM-IBGZPJMESA-N 1 2 397.523 4.300 20 0 GIADLO O=C(C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1SC(F)F ZINC000186668157 822933564 /nfs/dbraw/zinc/93/35/64/822933564.db2.gz YSJMGIJKSLQTQW-FQEVSTJZSA-N 1 2 390.455 4.071 20 0 GIADLO O=C(C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1SC(F)F ZINC000186668157 822933565 /nfs/dbraw/zinc/93/35/65/822933565.db2.gz YSJMGIJKSLQTQW-FQEVSTJZSA-N 1 2 390.455 4.071 20 0 GIADLO O=C(c1sc2ccccc2c1Br)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000569533769 822935811 /nfs/dbraw/zinc/93/58/11/822935811.db2.gz BROKMNDSPBBJJO-LLVKDONJSA-N 1 2 390.306 4.407 20 0 GIADLO O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)NCCCn1cc[nH+]c1 ZINC000055081573 822936722 /nfs/dbraw/zinc/93/67/22/822936722.db2.gz KQLBQVLSTPISFU-UHFFFAOYSA-N 1 2 390.462 4.310 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2cccnc2N2CCCCC2)no1)c1cccc(Cl)c1 ZINC000569633546 822947839 /nfs/dbraw/zinc/94/78/39/822947839.db2.gz DKRRSOYWVQAIRQ-GOSISDBHSA-N 1 2 397.910 4.426 20 0 GIADLO CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)cc2)cc1 ZINC000569637555 822948566 /nfs/dbraw/zinc/94/85/66/822948566.db2.gz PVKBKDCDONZUIW-MRXNPFEDSA-N 1 2 377.444 4.275 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)c(C)c1 ZINC000186756538 822950283 /nfs/dbraw/zinc/95/02/83/822950283.db2.gz IWQRHKUIBVNTAS-SFHVURJKSA-N 1 2 378.875 4.008 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc(F)cc2Cl)c(C)c1 ZINC000186756538 822950287 /nfs/dbraw/zinc/95/02/87/822950287.db2.gz IWQRHKUIBVNTAS-SFHVURJKSA-N 1 2 378.875 4.008 20 0 GIADLO O=C(Nc1ccccc1)[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000055374247 822955587 /nfs/dbraw/zinc/95/55/87/822955587.db2.gz TZXMXVFLJJONNM-QHCPKHFHSA-N 1 2 382.467 4.342 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(NC)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569690954 822955737 /nfs/dbraw/zinc/95/57/37/822955737.db2.gz WQRXDICLIUKXIL-YOEHRIQHSA-N 1 2 381.904 4.148 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(NC)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569690954 822955738 /nfs/dbraw/zinc/95/57/38/822955738.db2.gz WQRXDICLIUKXIL-YOEHRIQHSA-N 1 2 381.904 4.148 20 0 GIADLO O=C(CCOc1ccccc1Br)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000055409009 822958586 /nfs/dbraw/zinc/95/85/86/822958586.db2.gz HMOMLJMBJRJRQE-UHFFFAOYSA-N 1 2 386.249 4.042 20 0 GIADLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000186821736 822961061 /nfs/dbraw/zinc/96/10/61/822961061.db2.gz SYAWZENEFQUKMD-AWEZNQCLSA-N 1 2 386.496 4.124 20 0 GIADLO COCC[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1 ZINC000055472252 822967776 /nfs/dbraw/zinc/96/77/76/822967776.db2.gz DSBIMJVFXSMMPP-UHFFFAOYSA-N 1 2 391.393 4.404 20 0 GIADLO COCC[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1 ZINC000055472252 822967778 /nfs/dbraw/zinc/96/77/78/822967778.db2.gz DSBIMJVFXSMMPP-UHFFFAOYSA-N 1 2 391.393 4.404 20 0 GIADLO C[C@@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[C@H]1c1ccccc1 ZINC000175434731 822968141 /nfs/dbraw/zinc/96/81/41/822968141.db2.gz SUXPQSMYNNDJLA-AUSIDOKSSA-N 1 2 388.515 4.267 20 0 GIADLO CSc1cc(Br)ccc1-c1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000569825905 822973134 /nfs/dbraw/zinc/97/31/34/822973134.db2.gz XSHWWFJEGAHXSC-SNVBAGLBSA-N 1 2 379.283 4.221 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000175471176 822976944 /nfs/dbraw/zinc/97/69/44/822976944.db2.gz KCVYSDZICXBPKQ-UHFFFAOYSA-N 1 2 394.450 4.324 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2CCC(C)(CO)CC2)cs1)c1ccc(Cl)cc1 ZINC000186926506 822981615 /nfs/dbraw/zinc/98/16/15/822981615.db2.gz LPGCEFVAIKGCON-UHFFFAOYSA-N 1 2 393.940 4.076 20 0 GIADLO O=C(Nc1ccccc1)C1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000175503258 822985101 /nfs/dbraw/zinc/98/51/01/822985101.db2.gz FUVNMOIDJLKQSH-UHFFFAOYSA-N 1 2 384.430 4.282 20 0 GIADLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc(OC)c1 ZINC000569969076 822991277 /nfs/dbraw/zinc/99/12/77/822991277.db2.gz RJNPSNSXKGLMME-LJQANCHMSA-N 1 2 397.393 4.176 20 0 GIADLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc(OC)c1 ZINC000569969076 822991283 /nfs/dbraw/zinc/99/12/83/822991283.db2.gz RJNPSNSXKGLMME-LJQANCHMSA-N 1 2 397.393 4.176 20 0 GIADLO COc1ccc(-c2ccncc2)cc1CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000186987464 822992745 /nfs/dbraw/zinc/99/27/45/822992745.db2.gz FIFOAEFMOZUEOH-LJQANCHMSA-N 1 2 388.515 4.031 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1nnc(CC2CCCCC2)s1 ZINC000570012121 822996817 /nfs/dbraw/zinc/99/68/17/822996817.db2.gz FETZUSNIMUAXLU-UHFFFAOYSA-N 1 2 395.532 4.087 20 0 GIADLO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175561414 822997814 /nfs/dbraw/zinc/99/78/14/822997814.db2.gz KDOROSZVGKMHFP-HSZRJFAPSA-N 1 2 390.531 4.403 20 0 GIADLO O=C(Nc1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000055696726 823000380 /nfs/dbraw/zinc/00/03/80/823000380.db2.gz PQEOXZZQFGOJRZ-UHFFFAOYSA-N 1 2 396.450 4.055 20 0 GIADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]3Cc3ccccc3Br)ccn12 ZINC000570060437 823001686 /nfs/dbraw/zinc/00/16/86/823001686.db2.gz VEHSDZHMURSWBN-KRWDZBQOSA-N 1 2 398.304 4.253 20 0 GIADLO C[C@@H]1C[C@H]1[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000175584563 823002150 /nfs/dbraw/zinc/00/21/50/823002150.db2.gz MGMSTGKYXUAHGH-QFIXIFRTSA-N 1 2 398.938 4.400 20 0 GIADLO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187047724 823003582 /nfs/dbraw/zinc/00/35/82/823003582.db2.gz YPAQJZMWTUQBAK-INIZCTEOSA-N 1 2 375.563 4.269 20 0 GIADLO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187047724 823003585 /nfs/dbraw/zinc/00/35/85/823003585.db2.gz YPAQJZMWTUQBAK-INIZCTEOSA-N 1 2 375.563 4.269 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)cn2c1 ZINC000175667372 823016386 /nfs/dbraw/zinc/01/63/86/823016386.db2.gz RJHSZSXUZWSJCZ-CRAIPNDOSA-N 1 2 383.517 4.469 20 0 GIADLO Cc1ccc(C[S@](=O)Cc2csc(COc3ccc(F)cc3)n2)c(C)[nH+]1 ZINC000187140787 823016670 /nfs/dbraw/zinc/01/66/70/823016670.db2.gz XPHISLMICMGTJQ-SANMLTNESA-N 1 2 390.505 4.322 20 0 GIADLO Cc1ccc(OCc2nc(C[S@@](=O)Cc3ccc(C)[nH+]c3C)cs2)cc1 ZINC000187153568 823018214 /nfs/dbraw/zinc/01/82/14/823018214.db2.gz JVYKWAONGLNUQG-SANMLTNESA-N 1 2 386.542 4.491 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1cc(Cl)ccc1OC ZINC000187168705 823020003 /nfs/dbraw/zinc/02/00/03/823020003.db2.gz SWLJMBMGQZTUCC-UHFFFAOYSA-N 1 2 388.316 4.085 20 0 GIADLO COc1cc(Br)ccc1CCC[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187220926 823026839 /nfs/dbraw/zinc/02/68/39/823026839.db2.gz AEUMVUAKMFGZMH-HSZRJFAPSA-N 1 2 396.350 4.351 20 0 GIADLO Cc1ccc2c(c1)SCCCN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187224989 823027376 /nfs/dbraw/zinc/02/73/76/823027376.db2.gz ABTPFDFPYPRXOL-UHFFFAOYSA-N 1 2 394.456 4.232 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(Cl)cc1OC ZINC000187225685 823027476 /nfs/dbraw/zinc/02/74/76/823027476.db2.gz ZGAKABALQALXNH-UHFFFAOYSA-N 1 2 388.316 4.085 20 0 GIADLO CC(C)Oc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(Cl)c1 ZINC000187233755 823028440 /nfs/dbraw/zinc/02/84/40/823028440.db2.gz KRPJXPUOFMFTCA-UHFFFAOYSA-N 1 2 388.899 4.444 20 0 GIADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(-c3cccc(N4CCCC4=O)c3)no2)c1 ZINC000570363257 823029157 /nfs/dbraw/zinc/02/91/57/823029157.db2.gz DYDZMCPHAWXXFX-UHFFFAOYSA-N 1 2 385.427 4.025 20 0 GIADLO O=C(C[N@@H+]1CCC=C(c2ccccn2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000570388186 823032324 /nfs/dbraw/zinc/03/23/24/823032324.db2.gz SWWLTNPHKGOMBR-DEOSSOPVSA-N 1 2 375.516 4.218 20 0 GIADLO O=C(C[N@H+]1CCC=C(c2ccccn2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000570388186 823032326 /nfs/dbraw/zinc/03/23/26/823032326.db2.gz SWWLTNPHKGOMBR-DEOSSOPVSA-N 1 2 375.516 4.218 20 0 GIADLO CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000175766513 823034746 /nfs/dbraw/zinc/03/47/46/823034746.db2.gz FBBJXOWNRZSFIL-LJQANCHMSA-N 1 2 379.460 4.067 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)Cc1ccccc1F ZINC000175795986 823042200 /nfs/dbraw/zinc/04/22/00/823042200.db2.gz XCMGXJLSTUCJHW-SFHVURJKSA-N 1 2 398.526 4.100 20 0 GIADLO Cc1cccc2cc(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)sc21 ZINC000570482159 823044068 /nfs/dbraw/zinc/04/40/68/823044068.db2.gz FIVUSEDNKYDVBH-UHFFFAOYSA-N 1 2 375.497 4.427 20 0 GIADLO CC[C@H](OC1CCCCC1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000123803468 823542120 /nfs/dbraw/zinc/54/21/20/823542120.db2.gz FOGJDLXZTBHZMT-HMFYCAOWSA-N 1 2 388.552 4.362 20 0 GIADLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1ccc(SC)cc1)CCC2 ZINC000177894179 823542910 /nfs/dbraw/zinc/54/29/10/823542910.db2.gz UFGCCMXBTKYQEB-MRXNPFEDSA-N 1 2 375.563 4.375 20 0 GIADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1ccc(SC)cc1)CCC2 ZINC000177894179 823542915 /nfs/dbraw/zinc/54/29/15/823542915.db2.gz UFGCCMXBTKYQEB-MRXNPFEDSA-N 1 2 375.563 4.375 20 0 GIADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000190167557 823545253 /nfs/dbraw/zinc/54/52/53/823545253.db2.gz XIGNBHIOYIILHC-KRWDZBQOSA-N 1 2 383.458 4.136 20 0 GIADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000190167557 823545256 /nfs/dbraw/zinc/54/52/56/823545256.db2.gz XIGNBHIOYIILHC-KRWDZBQOSA-N 1 2 383.458 4.136 20 0 GIADLO CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H](C)Cc1ccsc1 ZINC000190178043 823546942 /nfs/dbraw/zinc/54/69/42/823546942.db2.gz WOPGDIRODDWJLH-KRWDZBQOSA-N 1 2 382.533 4.156 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c(C)[nH+]1 ZINC000411165101 823553620 /nfs/dbraw/zinc/55/36/20/823553620.db2.gz OFWPNEZKIOKFHK-ZDUSSCGKSA-N 1 2 394.302 4.472 20 0 GIADLO CC(C)CC[C@H](NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000411169883 823554013 /nfs/dbraw/zinc/55/40/13/823554013.db2.gz FDPXHQOFDZWXRD-SFHVURJKSA-N 1 2 398.894 4.220 20 0 GIADLO COCC[N@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C1CC1 ZINC000411172681 823554147 /nfs/dbraw/zinc/55/41/47/823554147.db2.gz ISSGRYKMALNTNT-UHFFFAOYSA-N 1 2 389.908 4.328 20 0 GIADLO COCC[N@@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C1CC1 ZINC000411172681 823554150 /nfs/dbraw/zinc/55/41/50/823554150.db2.gz ISSGRYKMALNTNT-UHFFFAOYSA-N 1 2 389.908 4.328 20 0 GIADLO C[C@@H]1[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1(F)F ZINC000460999723 823557156 /nfs/dbraw/zinc/55/71/56/823557156.db2.gz JPTGIQXWWPYRLA-FOIQADDNSA-N 1 2 381.426 4.116 20 0 GIADLO Cc1c2cccc(Cl)c2[nH]c1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000411211698 823557735 /nfs/dbraw/zinc/55/77/35/823557735.db2.gz IMQZNAFTGXUFKF-UHFFFAOYSA-N 1 2 383.879 4.214 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c(C)[nH+]1 ZINC000411221487 823558264 /nfs/dbraw/zinc/55/82/64/823558264.db2.gz FGLSHHXRRXPNEE-LJQANCHMSA-N 1 2 385.895 4.256 20 0 GIADLO CCS(=O)(=O)CCCCC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000190294080 823559840 /nfs/dbraw/zinc/55/98/40/823559840.db2.gz QDPFBCGJWGOBGJ-SFHVURJKSA-N 1 2 383.604 4.362 20 0 GIADLO CCS(=O)(=O)CCCCC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000190294080 823559845 /nfs/dbraw/zinc/55/98/45/823559845.db2.gz QDPFBCGJWGOBGJ-SFHVURJKSA-N 1 2 383.604 4.362 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000411261216 823560968 /nfs/dbraw/zinc/56/09/68/823560968.db2.gz PKKHZOWFRKIXLO-OWOPXTPDSA-N 1 2 385.895 4.112 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)c(C)[nH+]1 ZINC000411296621 823562796 /nfs/dbraw/zinc/56/27/96/823562796.db2.gz GYAHXMQSBIWVSG-FQEVSTJZSA-N 1 2 383.467 4.132 20 0 GIADLO COc1cc2c(c(C[NH2+][C@H](C)c3nc(-c4ccncc4)cs3)c1)O[C@@H](C)C2 ZINC000124075198 823565463 /nfs/dbraw/zinc/56/54/63/823565463.db2.gz MXNFMYHMTOQECK-UONOGXRCSA-N 1 2 381.501 4.388 20 0 GIADLO Cc1nc(C2([NH2+]CCC(=O)Nc3cccc(C(F)(F)F)c3)CCCCC2)no1 ZINC000411345400 823565566 /nfs/dbraw/zinc/56/55/66/823565566.db2.gz HAGOHTCZOBHFKM-UHFFFAOYSA-N 1 2 396.413 4.175 20 0 GIADLO CCOc1cc(C[NH2+][C@@H](c2ccccn2)c2ccccc2OC)ccc1OC ZINC000124098545 823567479 /nfs/dbraw/zinc/56/74/79/823567479.db2.gz AESFBSOWSMRDLL-HSZRJFAPSA-N 1 2 378.472 4.377 20 0 GIADLO COc1ccccc1[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccccn1 ZINC000124100466 823567634 /nfs/dbraw/zinc/56/76/34/823567634.db2.gz BLCOGGZQWWAEPD-OAQYLSRUSA-N 1 2 396.874 4.394 20 0 GIADLO Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)n1Cc1ccccc1 ZINC000060934112 823567728 /nfs/dbraw/zinc/56/77/28/823567728.db2.gz YGJFHBJRBBSANR-UHFFFAOYSA-N 1 2 393.556 4.173 20 0 GIADLO Cc1ncsc1CCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000411402169 823570633 /nfs/dbraw/zinc/57/06/33/823570633.db2.gz SDPCRXAFSLUDKU-INIZCTEOSA-N 1 2 395.931 4.130 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(CCc2cccc(F)c2)C2CCCC2)c(C)[nH+]1 ZINC000411425494 823572974 /nfs/dbraw/zinc/57/29/74/823572974.db2.gz MNJAGLBJJQFJMB-UHFFFAOYSA-N 1 2 397.494 4.098 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000190434087 823573370 /nfs/dbraw/zinc/57/33/70/823573370.db2.gz IRJKEGLYEIUIMC-UHFFFAOYSA-N 1 2 375.542 4.115 20 0 GIADLO CCC(CC)[C@@H](C(=O)Nc1ccc(COC2CCCC2)cc1)[NH+]1CCOCC1 ZINC000461091689 823574933 /nfs/dbraw/zinc/57/49/33/823574933.db2.gz UXPCWXCLDAUVID-QFIPXVFZSA-N 1 2 388.552 4.221 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NC(=O)Nc3cccnc3N3CCCC3)cc2)c1C ZINC000461108811 823579170 /nfs/dbraw/zinc/57/91/70/823579170.db2.gz GXJOEXFYPRPQER-UHFFFAOYSA-N 1 2 376.464 4.128 20 0 GIADLO COc1cc(C)[nH+]c(CN[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 ZINC000411504185 823582034 /nfs/dbraw/zinc/58/20/34/823582034.db2.gz YSTDIHQUWTYVHF-OAHLLOKOSA-N 1 2 376.325 4.393 20 0 GIADLO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000411515160 823583161 /nfs/dbraw/zinc/58/31/61/823583161.db2.gz HMXNHKOJBHPWDY-OLZOCXBDSA-N 1 2 387.402 4.147 20 0 GIADLO C[C@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1nc(C2CCCCC2)no1 ZINC000411540704 823586746 /nfs/dbraw/zinc/58/67/46/823586746.db2.gz WZUDCRNPTSSIFZ-AWEZNQCLSA-N 1 2 390.915 4.128 20 0 GIADLO O=c1nc(C[N@H+]2CCC[C@H]2CCO)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000411564109 823588341 /nfs/dbraw/zinc/58/83/41/823588341.db2.gz FAFSLSDISKXYPT-LBPRGKRZSA-N 1 2 389.908 4.064 20 0 GIADLO O=c1nc(C[N@@H+]2CCC[C@H]2CCO)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000411564109 823588342 /nfs/dbraw/zinc/58/83/42/823588342.db2.gz FAFSLSDISKXYPT-LBPRGKRZSA-N 1 2 389.908 4.064 20 0 GIADLO CCc1nc(C(C)(C)[NH2+]CCC(=O)Nc2ccccc2-c2ccccc2)no1 ZINC000411696269 823597685 /nfs/dbraw/zinc/59/76/85/823597685.db2.gz QIMDUFHJFAXIKQ-UHFFFAOYSA-N 1 2 378.476 4.153 20 0 GIADLO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000411730739 823600596 /nfs/dbraw/zinc/60/05/96/823600596.db2.gz IYUBZEAIOUBXRH-IBGZPJMESA-N 1 2 398.894 4.391 20 0 GIADLO COc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000411730739 823600597 /nfs/dbraw/zinc/60/05/97/823600597.db2.gz IYUBZEAIOUBXRH-IBGZPJMESA-N 1 2 398.894 4.391 20 0 GIADLO FC(F)Oc1c(Br)cccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000411829199 823609650 /nfs/dbraw/zinc/60/96/50/823609650.db2.gz SQFAHUUSXWPAEJ-UHFFFAOYSA-N 1 2 398.251 4.220 20 0 GIADLO COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000061780414 823613829 /nfs/dbraw/zinc/61/38/29/823613829.db2.gz CMDMOLMQYVSYLP-GOSISDBHSA-N 1 2 395.528 4.100 20 0 GIADLO COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000061780414 823613831 /nfs/dbraw/zinc/61/38/31/823613831.db2.gz CMDMOLMQYVSYLP-GOSISDBHSA-N 1 2 395.528 4.100 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccccc2COc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000124657749 823614829 /nfs/dbraw/zinc/61/48/29/823614829.db2.gz UQMGUFAGDRWELL-PGRDOPGGSA-N 1 2 375.472 4.185 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000411997338 823619655 /nfs/dbraw/zinc/61/96/55/823619655.db2.gz IGCQXGKCFDPIII-JTSKRJEESA-N 1 2 392.499 4.070 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000411997338 823619657 /nfs/dbraw/zinc/61/96/57/823619657.db2.gz IGCQXGKCFDPIII-JTSKRJEESA-N 1 2 392.499 4.070 20 0 GIADLO O=C1[C@H]([N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CCN1c1ccccc1Cl ZINC000411998441 823619857 /nfs/dbraw/zinc/61/98/57/823619857.db2.gz LFIHGCBWMLYQQN-NHCUHLMSSA-N 1 2 396.918 4.299 20 0 GIADLO O=C1[C@H]([N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CCN1c1ccccc1Cl ZINC000411998441 823619858 /nfs/dbraw/zinc/61/98/58/823619858.db2.gz LFIHGCBWMLYQQN-NHCUHLMSSA-N 1 2 396.918 4.299 20 0 GIADLO Cc1cc(F)c(Br)cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000190895987 823621154 /nfs/dbraw/zinc/62/11/54/823621154.db2.gz GTPJUTBXUVVIDE-BZNIZROVSA-N 1 2 395.276 4.208 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)Cc1occc1C ZINC000412031496 823623650 /nfs/dbraw/zinc/62/36/50/823623650.db2.gz YDZKJJCXEHEPIM-UHFFFAOYSA-N 1 2 380.492 4.160 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)Cc1occc1C ZINC000412031496 823623652 /nfs/dbraw/zinc/62/36/52/823623652.db2.gz YDZKJJCXEHEPIM-UHFFFAOYSA-N 1 2 380.492 4.160 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000412061894 823625007 /nfs/dbraw/zinc/62/50/07/823625007.db2.gz AMLLVHCZULRGSN-FUHWJXTLSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000412061894 823625010 /nfs/dbraw/zinc/62/50/10/823625010.db2.gz AMLLVHCZULRGSN-FUHWJXTLSA-N 1 2 387.549 4.037 20 0 GIADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)n1 ZINC000412071235 823625541 /nfs/dbraw/zinc/62/55/41/823625541.db2.gz PGVOJBMOLJOCFW-HUUCEWRRSA-N 1 2 383.558 4.218 20 0 GIADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)n1 ZINC000412071235 823625543 /nfs/dbraw/zinc/62/55/43/823625543.db2.gz PGVOJBMOLJOCFW-HUUCEWRRSA-N 1 2 383.558 4.218 20 0 GIADLO CC1(C)CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[C@H]1C(F)(F)F ZINC000190941534 823627804 /nfs/dbraw/zinc/62/78/04/823627804.db2.gz UYNLZEXTABOYPJ-QGZVFWFLSA-N 1 2 394.441 4.051 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)C[C@H](C)O1 ZINC000062399426 823632715 /nfs/dbraw/zinc/63/27/15/823632715.db2.gz OFILWWXDNKQNRR-GYPJHTBQSA-N 1 2 397.563 4.338 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)C[C@H](C)O1 ZINC000062399426 823632718 /nfs/dbraw/zinc/63/27/18/823632718.db2.gz OFILWWXDNKQNRR-GYPJHTBQSA-N 1 2 397.563 4.338 20 0 GIADLO Cc1cccc(COc2cccc(NC(=O)N(C)CCCn3cc[nH+]c3)c2)c1 ZINC000124908885 823636036 /nfs/dbraw/zinc/63/60/36/823636036.db2.gz BUPGQBGRVHNOGT-UHFFFAOYSA-N 1 2 378.476 4.325 20 0 GIADLO CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)NCCc3[nH]cc[nH+]3)c2C1 ZINC000461463877 823642727 /nfs/dbraw/zinc/64/27/27/823642727.db2.gz ILOYVZKJZMFAFW-OAHLLOKOSA-N 1 2 376.504 4.081 20 0 GIADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000062640462 823642792 /nfs/dbraw/zinc/64/27/92/823642792.db2.gz XHIYWYLUIAIKQJ-CQSZACIVSA-N 1 2 388.924 4.330 20 0 GIADLO COC[C@]1(C)CC(=O)N(C[NH+]2CCC(=Cc3cc(Cl)ccc3Cl)CC2)C1 ZINC000125058872 823648837 /nfs/dbraw/zinc/64/88/37/823648837.db2.gz YCWQMLIRPAZISK-HXUWFJFHSA-N 1 2 397.346 4.315 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCSC[C@H]3c3cnn(C)c3)c2cc1C(C)C ZINC000191200066 823658600 /nfs/dbraw/zinc/65/86/00/823658600.db2.gz ZFMQKCNHOHKGHI-FQEVSTJZSA-N 1 2 397.544 4.248 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@H+]3CCSC[C@H]3c3cnn(C)c3)c2cc1C(C)C ZINC000191200066 823658603 /nfs/dbraw/zinc/65/86/03/823658603.db2.gz ZFMQKCNHOHKGHI-FQEVSTJZSA-N 1 2 397.544 4.248 20 0 GIADLO COc1cc(Cl)c(Cl)cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000191260685 823664552 /nfs/dbraw/zinc/66/45/52/823664552.db2.gz HLIGOXLEYOGELQ-UHFFFAOYSA-N 1 2 395.290 4.319 20 0 GIADLO Cc1ccc(-n2ncc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2C(C)C)cc1 ZINC000125291657 823665418 /nfs/dbraw/zinc/66/54/18/823665418.db2.gz WIBVEFGIKAWYSZ-RXVVDRJESA-N 1 2 391.519 4.224 20 0 GIADLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000191290991 823668218 /nfs/dbraw/zinc/66/82/18/823668218.db2.gz HUDGZIJWUSBKRH-NSHDSACASA-N 1 2 393.778 4.292 20 0 GIADLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000191290991 823668223 /nfs/dbraw/zinc/66/82/23/823668223.db2.gz HUDGZIJWUSBKRH-NSHDSACASA-N 1 2 393.778 4.292 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000125390339 823672688 /nfs/dbraw/zinc/67/26/88/823672688.db2.gz CEWBFQJYEYMLRJ-LJQANCHMSA-N 1 2 393.487 4.289 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000125390339 823672689 /nfs/dbraw/zinc/67/26/89/823672689.db2.gz CEWBFQJYEYMLRJ-LJQANCHMSA-N 1 2 393.487 4.289 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](c3ccccc3)C3(CCC3)C1)C2 ZINC000412684007 823674807 /nfs/dbraw/zinc/67/48/07/823674807.db2.gz XSPGNHUTXPNNIF-OALUTQOASA-N 1 2 377.532 4.434 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](c3ccccc3)C3(CCC3)C1)CC2 ZINC000412684007 823674811 /nfs/dbraw/zinc/67/48/11/823674811.db2.gz XSPGNHUTXPNNIF-OALUTQOASA-N 1 2 377.532 4.434 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000125447821 823676876 /nfs/dbraw/zinc/67/68/76/823676876.db2.gz WCGPOYRNFXBHHI-KNQAVFIVSA-N 1 2 395.503 4.325 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000125447821 823676879 /nfs/dbraw/zinc/67/68/79/823676879.db2.gz WCGPOYRNFXBHHI-KNQAVFIVSA-N 1 2 395.503 4.325 20 0 GIADLO CCCOc1ncccc1C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000063579037 823680650 /nfs/dbraw/zinc/68/06/50/823680650.db2.gz SHEMYKDBOVDSOY-UHFFFAOYSA-N 1 2 384.911 4.367 20 0 GIADLO Fc1ccc(OCc2noc(C[NH+]3CCC(OC4CCCCC4)CC3)n2)cc1 ZINC000125494004 823680730 /nfs/dbraw/zinc/68/07/30/823680730.db2.gz RXQIFOPMSPAGBK-UHFFFAOYSA-N 1 2 389.471 4.101 20 0 GIADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000125548412 823684348 /nfs/dbraw/zinc/68/43/48/823684348.db2.gz UPCJGOAIFONZSU-UHFFFAOYSA-N 1 2 380.307 4.311 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](C)Cc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1 ZINC000125549173 823684492 /nfs/dbraw/zinc/68/44/92/823684492.db2.gz MYUZRCYWSZFOGO-UHFFFAOYSA-N 1 2 383.879 4.295 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](C)Cc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1 ZINC000125549173 823684495 /nfs/dbraw/zinc/68/44/95/823684495.db2.gz MYUZRCYWSZFOGO-UHFFFAOYSA-N 1 2 383.879 4.295 20 0 GIADLO CCCn1c(SCc2ccc(-n3cc[nH+]c3)cc2)nnc1-c1ccncc1 ZINC000191458189 823687534 /nfs/dbraw/zinc/68/75/34/823687534.db2.gz KNINLKPKIFVZBO-UHFFFAOYSA-N 1 2 376.489 4.228 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(Sc3ccccn3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000125596694 823688478 /nfs/dbraw/zinc/68/84/78/823688478.db2.gz GFBDKJDBRKXILY-LPHOPBHVSA-N 1 2 378.501 4.153 20 0 GIADLO C[N@@H+]1CCN(C(=O)c2csc(-c3ccccc3F)n2)[C@@H](c2ccccc2)C1 ZINC000063683534 823689298 /nfs/dbraw/zinc/68/92/98/823689298.db2.gz WSXQPCPWMXGDOO-LJQANCHMSA-N 1 2 381.476 4.078 20 0 GIADLO C[N@H+]1CCN(C(=O)c2csc(-c3ccccc3F)n2)[C@@H](c2ccccc2)C1 ZINC000063683534 823689299 /nfs/dbraw/zinc/68/92/99/823689299.db2.gz WSXQPCPWMXGDOO-LJQANCHMSA-N 1 2 381.476 4.078 20 0 GIADLO Fc1cnccc1CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000412985678 823697859 /nfs/dbraw/zinc/69/78/59/823697859.db2.gz SPFCBJIHFMWZBJ-UHFFFAOYSA-N 1 2 383.496 4.080 20 0 GIADLO OCCSCc1cc[nH+]c(NCc2cc(Br)c(Cl)s2)c1 ZINC000191548195 823698256 /nfs/dbraw/zinc/69/82/56/823698256.db2.gz XAABKMWXHWIEHM-UHFFFAOYSA-N 1 2 393.759 4.397 20 0 GIADLO CCCc1nc(C[NH+]2CCC(c3nc(C(=O)OCC)cs3)CC2)cs1 ZINC000191563577 823700289 /nfs/dbraw/zinc/70/02/89/823700289.db2.gz ULHQYXSSWIQNQJ-UHFFFAOYSA-N 1 2 379.551 4.108 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3c(C4CC4)nc4sccn34)n2)c1 ZINC000191567101 823701052 /nfs/dbraw/zinc/70/10/52/823701052.db2.gz TUVXVFNFRAKQIL-LBPRGKRZSA-N 1 2 395.488 4.183 20 0 GIADLO CCCOc1cc(F)ccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125736375 823702233 /nfs/dbraw/zinc/70/22/33/823702233.db2.gz IEHCOKFPZVZJAZ-UHFFFAOYSA-N 1 2 382.439 4.181 20 0 GIADLO CC(C)N(C)C(=O)C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413057668 823702308 /nfs/dbraw/zinc/70/23/08/823702308.db2.gz YIWYKFBNXMJKNV-UHFFFAOYSA-N 1 2 390.325 4.081 20 0 GIADLO FC(F)(F)COCc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000125755627 823704640 /nfs/dbraw/zinc/70/46/40/823704640.db2.gz RGGXUYNRXWHVSH-SFHVURJKSA-N 1 2 375.394 4.368 20 0 GIADLO Cc1c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cnn1C ZINC000574361383 823708703 /nfs/dbraw/zinc/70/87/03/823708703.db2.gz IJMDAABGLYOMGQ-QGZVFWFLSA-N 1 2 394.544 4.339 20 0 GIADLO Cc1c(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cnn1C ZINC000574361383 823708705 /nfs/dbraw/zinc/70/87/05/823708705.db2.gz IJMDAABGLYOMGQ-QGZVFWFLSA-N 1 2 394.544 4.339 20 0 GIADLO COc1cccc(N2CC[NH+]([C@@H](C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)c1 ZINC000125781241 823709008 /nfs/dbraw/zinc/70/90/08/823709008.db2.gz PPUNEIPADHSHAY-INIZCTEOSA-N 1 2 396.466 4.076 20 0 GIADLO O=C(c1ccccc1)C1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000125783507 823709484 /nfs/dbraw/zinc/70/94/84/823709484.db2.gz FPONJXJTRRVQMG-IBGZPJMESA-N 1 2 388.305 4.077 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000574478858 823741162 /nfs/dbraw/zinc/74/11/62/823741162.db2.gz ZQSYXDIFRYHNGM-SFHVURJKSA-N 1 2 375.444 4.294 20 0 GIADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000125927929 823746656 /nfs/dbraw/zinc/74/66/56/823746656.db2.gz RHDYZINIUAIGOA-ZDUSSCGKSA-N 1 2 387.423 4.182 20 0 GIADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000125927929 823746662 /nfs/dbraw/zinc/74/66/62/823746662.db2.gz RHDYZINIUAIGOA-ZDUSSCGKSA-N 1 2 387.423 4.182 20 0 GIADLO CN(C)C(=O)c1ccc(C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)[nH]1 ZINC000191722988 823746994 /nfs/dbraw/zinc/74/69/94/823746994.db2.gz JNUWGBZGCLJBGI-UHFFFAOYSA-N 1 2 385.817 4.168 20 0 GIADLO CC(C)Cn1ccnc1C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000125932699 823748134 /nfs/dbraw/zinc/74/81/34/823748134.db2.gz LJASCMGPXYEPIH-UHFFFAOYSA-N 1 2 379.552 4.371 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N[C@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000413325437 823753051 /nfs/dbraw/zinc/75/30/51/823753051.db2.gz VQFAQRARYZPYEM-WMZOPIPTSA-N 1 2 384.277 4.146 20 0 GIADLO Fc1ccc(COc2ccc(CN3CC[NH+](Cc4ccccn4)CC3)cc2)cc1 ZINC000064139646 823753148 /nfs/dbraw/zinc/75/31/48/823753148.db2.gz OVMMUWMHGDMDIM-UHFFFAOYSA-N 1 2 391.490 4.118 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(C)c(C)n2)cc1 ZINC000413375524 823762914 /nfs/dbraw/zinc/76/29/14/823762914.db2.gz MVCQGLZDLZCKMG-UHFFFAOYSA-N 1 2 392.503 4.026 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCSCC[C@H]2C)cs1)c1ccc(F)cc1 ZINC000191814509 823779003 /nfs/dbraw/zinc/77/90/03/823779003.db2.gz VDXSFLUPCLDHHW-CYBMUJFWSA-N 1 2 379.526 4.294 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCSCC[C@H]2C)cs1)c1ccc(F)cc1 ZINC000191814509 823779008 /nfs/dbraw/zinc/77/90/08/823779008.db2.gz VDXSFLUPCLDHHW-CYBMUJFWSA-N 1 2 379.526 4.294 20 0 GIADLO Fc1c(Cl)cccc1Cc1noc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000574610340 823780841 /nfs/dbraw/zinc/78/08/41/823780841.db2.gz FGDMPHXCKIUIEW-QGZVFWFLSA-N 1 2 387.842 4.026 20 0 GIADLO Fc1c(Cl)cccc1Cc1noc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000574610340 823780845 /nfs/dbraw/zinc/78/08/45/823780845.db2.gz FGDMPHXCKIUIEW-QGZVFWFLSA-N 1 2 387.842 4.026 20 0 GIADLO O=C(NCCNc1cccc[nH+]1)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000064254481 823781192 /nfs/dbraw/zinc/78/11/92/823781192.db2.gz WSMJPVVZWAHIIQ-FQEVSTJZSA-N 1 2 396.441 4.055 20 0 GIADLO CCN(c1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1)C(C)C ZINC000126100837 823787474 /nfs/dbraw/zinc/78/74/74/823787474.db2.gz KKPAERFZJFSLRL-UHFFFAOYSA-N 1 2 395.547 4.314 20 0 GIADLO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1Cc2ccc(C(C)=O)cc2C1 ZINC000413500198 823788266 /nfs/dbraw/zinc/78/82/66/823788266.db2.gz FMDSJQNBUXXBGV-UHFFFAOYSA-N 1 2 390.439 4.143 20 0 GIADLO CCCCO[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000462009566 823793323 /nfs/dbraw/zinc/79/33/23/823793323.db2.gz WIGHNNGPTFEBGX-LEWJYISDSA-N 1 2 398.551 4.057 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000191844990 823794483 /nfs/dbraw/zinc/79/44/83/823794483.db2.gz UUOVBYITQDLYAJ-UHFFFAOYSA-N 1 2 381.480 4.408 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000191866668 823799586 /nfs/dbraw/zinc/79/95/86/823799586.db2.gz IVDVIRPHKVIGOY-UHFFFAOYSA-N 1 2 387.503 4.129 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC000191883869 823803206 /nfs/dbraw/zinc/80/32/06/823803206.db2.gz QTDVHQNYQDYEAT-UHFFFAOYSA-N 1 2 394.466 4.342 20 0 GIADLO COc1cc2c(cc1NC(=O)C[N@H+](C)C[C@H]1CCCCO1)oc1ccccc12 ZINC000126179591 823806305 /nfs/dbraw/zinc/80/63/05/823806305.db2.gz NACLCOYLUIYXEP-OAHLLOKOSA-N 1 2 382.460 4.034 20 0 GIADLO COc1cc2c(cc1NC(=O)C[N@@H+](C)C[C@H]1CCCCO1)oc1ccccc12 ZINC000126179591 823806311 /nfs/dbraw/zinc/80/63/11/823806311.db2.gz NACLCOYLUIYXEP-OAHLLOKOSA-N 1 2 382.460 4.034 20 0 GIADLO Cc1ccc(C)c(SCC(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC000126197180 823810186 /nfs/dbraw/zinc/81/01/86/823810186.db2.gz CFJKBQUCBVEDLB-UHFFFAOYSA-N 1 2 384.545 4.175 20 0 GIADLO CC(C)c1c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cnn1-c1ccccc1Cl ZINC000574737839 823814439 /nfs/dbraw/zinc/81/44/39/823814439.db2.gz NMFWZTXUCYUUMC-UHFFFAOYSA-N 1 2 397.910 4.392 20 0 GIADLO CC(C)c1c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cnn1-c1ccccc1Cl ZINC000574737839 823814447 /nfs/dbraw/zinc/81/44/47/823814447.db2.gz NMFWZTXUCYUUMC-UHFFFAOYSA-N 1 2 397.910 4.392 20 0 GIADLO Cc1ccc(-c2noc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)n2)cc1 ZINC000574737589 823814484 /nfs/dbraw/zinc/81/44/84/823814484.db2.gz AYZXFNGAMSNFOP-OAQYLSRUSA-N 1 2 375.472 4.399 20 0 GIADLO Cc1ccc(-c2noc(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)n2)cc1 ZINC000574737589 823814493 /nfs/dbraw/zinc/81/44/93/823814493.db2.gz AYZXFNGAMSNFOP-OAQYLSRUSA-N 1 2 375.472 4.399 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000126220665 823814716 /nfs/dbraw/zinc/81/47/16/823814716.db2.gz WZKWPXXDLLHCQI-UHFFFAOYSA-N 1 2 393.462 4.009 20 0 GIADLO Cc1cc(C(F)(F)F)ccc1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000191931662 823814966 /nfs/dbraw/zinc/81/49/66/823814966.db2.gz RBCYOOXAYAZHCZ-UHFFFAOYSA-N 1 2 392.425 4.008 20 0 GIADLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000462072484 823819590 /nfs/dbraw/zinc/81/95/90/823819590.db2.gz FGNRTUVKTNEMPP-AWEZNQCLSA-N 1 2 388.316 4.262 20 0 GIADLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000462072484 823819600 /nfs/dbraw/zinc/81/96/00/823819600.db2.gz FGNRTUVKTNEMPP-AWEZNQCLSA-N 1 2 388.316 4.262 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)CSc1ccccc1 ZINC000126252966 823821201 /nfs/dbraw/zinc/82/12/01/823821201.db2.gz RUQMUUXRFGYNRP-SFHVURJKSA-N 1 2 384.545 4.194 20 0 GIADLO CC[C@@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)CC(F)(F)F ZINC000413725567 823825996 /nfs/dbraw/zinc/82/59/96/823825996.db2.gz FCKAZFGBQWANHZ-ZIAGYGMSSA-N 1 2 377.476 4.115 20 0 GIADLO CC[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)CC(F)(F)F ZINC000413725566 823826053 /nfs/dbraw/zinc/82/60/53/823826053.db2.gz FCKAZFGBQWANHZ-UONOGXRCSA-N 1 2 377.476 4.115 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)/C=C/c3ccnc(Cl)c3)n2)C1 ZINC000126280137 823828265 /nfs/dbraw/zinc/82/82/65/823828265.db2.gz ZLAGVFPTGLMGJO-MUBLQREKSA-N 1 2 376.913 4.075 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)/C=C/c3ccnc(Cl)c3)n2)C1 ZINC000126280137 823828270 /nfs/dbraw/zinc/82/82/70/823828270.db2.gz ZLAGVFPTGLMGJO-MUBLQREKSA-N 1 2 376.913 4.075 20 0 GIADLO CC(=Cc1ccccc1OC(F)F)C[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000574798477 823829667 /nfs/dbraw/zinc/82/96/67/823829667.db2.gz MPBDODDSTCKLHQ-JLHYYAGUSA-N 1 2 388.393 4.405 20 0 GIADLO CC(=Cc1ccccc1OC(F)F)C[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000574798477 823829675 /nfs/dbraw/zinc/82/96/75/823829675.db2.gz MPBDODDSTCKLHQ-JLHYYAGUSA-N 1 2 388.393 4.405 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccccc1C(F)(F)F ZINC000126285854 823830144 /nfs/dbraw/zinc/83/01/44/823830144.db2.gz CTNBPLHSUMXWIR-UHFFFAOYSA-N 1 2 378.394 4.098 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(Br)c(F)cc2F)c1C ZINC000191995690 823832379 /nfs/dbraw/zinc/83/23/79/823832379.db2.gz HGMWDIALBDYPPK-UHFFFAOYSA-N 1 2 399.235 4.020 20 0 GIADLO Cc1csc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1Br ZINC000192026720 823836488 /nfs/dbraw/zinc/83/64/88/823836488.db2.gz WPKLWNCOFYZLDR-NSHDSACASA-N 1 2 399.379 4.057 20 0 GIADLO Cc1csc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1Br ZINC000192026720 823836496 /nfs/dbraw/zinc/83/64/96/823836496.db2.gz WPKLWNCOFYZLDR-NSHDSACASA-N 1 2 399.379 4.057 20 0 GIADLO CC(C)OCc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000064533516 823838539 /nfs/dbraw/zinc/83/85/39/823838539.db2.gz CKYJXXMPWUWVSO-UHFFFAOYSA-N 1 2 382.439 4.258 20 0 GIADLO O=C([C@@H]1C[C@H]1c1cccc(O)c1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000413773126 823838858 /nfs/dbraw/zinc/83/88/58/823838858.db2.gz YJUWYHVUCWBUQN-LEWJYISDSA-N 1 2 395.890 4.075 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)n1 ZINC000192036292 823839388 /nfs/dbraw/zinc/83/93/88/823839388.db2.gz RIVYOADZKRURLH-UHFFFAOYSA-N 1 2 396.516 4.090 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)n1 ZINC000192036292 823839400 /nfs/dbraw/zinc/83/94/00/823839400.db2.gz RIVYOADZKRURLH-UHFFFAOYSA-N 1 2 396.516 4.090 20 0 GIADLO C[C@H]1CCN(C(=O)CCOc2ccccc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000126321351 823839523 /nfs/dbraw/zinc/83/95/23/823839523.db2.gz NTYZHMRLHZBMSZ-UGKGYDQZSA-N 1 2 389.499 4.429 20 0 GIADLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000574846383 823841366 /nfs/dbraw/zinc/84/13/66/823841366.db2.gz OUCFMHGFVDJPBV-NSHDSACASA-N 1 2 392.668 4.443 20 0 GIADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000574846383 823841376 /nfs/dbraw/zinc/84/13/76/823841376.db2.gz OUCFMHGFVDJPBV-NSHDSACASA-N 1 2 392.668 4.443 20 0 GIADLO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000574857704 823845153 /nfs/dbraw/zinc/84/51/53/823845153.db2.gz MMGVEKSIOFETEW-QFIPXVFZSA-N 1 2 377.419 4.384 20 0 GIADLO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000574857704 823845163 /nfs/dbraw/zinc/84/51/63/823845163.db2.gz MMGVEKSIOFETEW-QFIPXVFZSA-N 1 2 377.419 4.384 20 0 GIADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CCO1 ZINC000126374289 823851234 /nfs/dbraw/zinc/85/12/34/823851234.db2.gz RUOLXSNJXLJILL-HSZRJFAPSA-N 1 2 378.516 4.195 20 0 GIADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CCO1 ZINC000126374289 823851240 /nfs/dbraw/zinc/85/12/40/823851240.db2.gz RUOLXSNJXLJILL-HSZRJFAPSA-N 1 2 378.516 4.195 20 0 GIADLO Cc1ccc(C)c(OC2CC[NH+]([C@@H](C)C(=O)Nc3cc(F)ccc3F)CC2)c1 ZINC000064631755 823854654 /nfs/dbraw/zinc/85/46/54/823854654.db2.gz KTZGCGOOUOUTHQ-INIZCTEOSA-N 1 2 388.458 4.452 20 0 GIADLO C[N@H+](CCC(F)(F)F)CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000064635810 823855884 /nfs/dbraw/zinc/85/58/84/823855884.db2.gz ZMCQONYVAUUPOD-LJQANCHMSA-N 1 2 376.422 4.045 20 0 GIADLO C[N@@H+](CCC(F)(F)F)CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000064635810 823855885 /nfs/dbraw/zinc/85/58/85/823855885.db2.gz ZMCQONYVAUUPOD-LJQANCHMSA-N 1 2 376.422 4.045 20 0 GIADLO COc1cc(C2(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)CCCC2)ccc1C ZINC000126410404 823859888 /nfs/dbraw/zinc/85/98/88/823859888.db2.gz AXGTYTGNLRLTBC-YLJYHZDGSA-N 1 2 381.520 4.122 20 0 GIADLO C[C@H]1CCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000126412745 823860889 /nfs/dbraw/zinc/86/08/89/823860889.db2.gz CFWRTGOOHJWAJA-WMLDXEAASA-N 1 2 379.426 4.289 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)C[C@H]2CCCOC2)cs1)c1ccc(C)cc1C ZINC000165745559 823861772 /nfs/dbraw/zinc/86/17/72/823861772.db2.gz DLDGSZFMRQXCKC-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)C[C@H]2CCCOC2)cs1)c1ccc(C)cc1C ZINC000165745559 823861784 /nfs/dbraw/zinc/86/17/84/823861784.db2.gz DLDGSZFMRQXCKC-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO CCS[C@@H](C)c1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192110382 823863095 /nfs/dbraw/zinc/86/30/95/823863095.db2.gz QLYMFFQUFSTGQR-JMPLFQLZSA-N 1 2 385.892 4.296 20 0 GIADLO CCS[C@H](C)c1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192110389 823863274 /nfs/dbraw/zinc/86/32/74/823863274.db2.gz QLYMFFQUFSTGQR-FUEDEBDSSA-N 1 2 385.892 4.296 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(C)(C)c2cccs2)CC1 ZINC000462196844 823865068 /nfs/dbraw/zinc/86/50/68/823865068.db2.gz ROKARGBIROIRIV-HNNXBMFYSA-N 1 2 377.579 4.176 20 0 GIADLO CC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000165894046 823865149 /nfs/dbraw/zinc/86/51/49/823865149.db2.gz NBBYWDFLNXVNJK-RBUKOAKNSA-N 1 2 389.858 4.249 20 0 GIADLO CC(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000165894046 823865158 /nfs/dbraw/zinc/86/51/58/823865158.db2.gz NBBYWDFLNXVNJK-RBUKOAKNSA-N 1 2 389.858 4.249 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000126440453 823867776 /nfs/dbraw/zinc/86/77/76/823867776.db2.gz CJRNRHXGFJDSNS-KKSFZXQISA-N 1 2 386.455 4.415 20 0 GIADLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2csc(N(C(C)=O)c3ccccc3)n2)C1(C)C ZINC000166014175 823868421 /nfs/dbraw/zinc/86/84/21/823868421.db2.gz RTYYYLKPYVVOTP-RTBURBONSA-N 1 2 387.549 4.463 20 0 GIADLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2csc(N(C(C)=O)c3ccccc3)n2)C1(C)C ZINC000166014175 823868425 /nfs/dbraw/zinc/86/84/25/823868425.db2.gz RTYYYLKPYVVOTP-RTBURBONSA-N 1 2 387.549 4.463 20 0 GIADLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3c(C(C)C)cccc3C(C)C)CC2)c1 ZINC000166081658 823869406 /nfs/dbraw/zinc/86/94/06/823869406.db2.gz NCEFZHFUZIJZAZ-UHFFFAOYSA-N 1 2 394.563 4.398 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CCCc2c(F)cccc21 ZINC000574959010 823871613 /nfs/dbraw/zinc/87/16/13/823871613.db2.gz CDTGGAWYUXLNGU-HXUWFJFHSA-N 1 2 382.483 4.088 20 0 GIADLO Cc1cccc([C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccccn2)c1 ZINC000126457095 823872771 /nfs/dbraw/zinc/87/27/71/823872771.db2.gz QPLNUTRPTBMOPT-QHCPKHFHSA-N 1 2 397.482 4.165 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@]3(CCOC3)C2)cs1)c1c(C)cc(C)cc1C ZINC000166373848 823877055 /nfs/dbraw/zinc/87/70/55/823877055.db2.gz WHKSPOYTNZPMLL-QFIPXVFZSA-N 1 2 399.560 4.365 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@]3(CCOC3)C2)cs1)c1c(C)cc(C)cc1C ZINC000166373848 823877061 /nfs/dbraw/zinc/87/70/61/823877061.db2.gz WHKSPOYTNZPMLL-QFIPXVFZSA-N 1 2 399.560 4.365 20 0 GIADLO Cc1c2ccccc2[nH+]c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C(=O)[O-] ZINC000574991818 823880910 /nfs/dbraw/zinc/88/09/10/823880910.db2.gz KCXQBNZXWBEABA-MGPUTAFESA-N 1 2 395.528 4.220 20 0 GIADLO Cc1c2ccccc2[nH+]c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C(=O)[O-] ZINC000574991818 823880919 /nfs/dbraw/zinc/88/09/19/823880919.db2.gz KCXQBNZXWBEABA-MGPUTAFESA-N 1 2 395.528 4.220 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126505235 823886201 /nfs/dbraw/zinc/88/62/01/823886201.db2.gz ZZMBZQOWMRGKAH-UHFFFAOYSA-N 1 2 383.879 4.217 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126505235 823886204 /nfs/dbraw/zinc/88/62/04/823886204.db2.gz ZZMBZQOWMRGKAH-UHFFFAOYSA-N 1 2 383.879 4.217 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCS[C@@H](C)CC2)cs1)c1ccc(F)cc1 ZINC000192174232 823891064 /nfs/dbraw/zinc/89/10/64/823891064.db2.gz UOQCNXYGHPQVBG-ZDUSSCGKSA-N 1 2 379.526 4.294 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCS[C@@H](C)CC2)cs1)c1ccc(F)cc1 ZINC000192174232 823891075 /nfs/dbraw/zinc/89/10/75/823891075.db2.gz UOQCNXYGHPQVBG-ZDUSSCGKSA-N 1 2 379.526 4.294 20 0 GIADLO COc1cccc([C@H]([NH2+]CC(=O)N2CCCC[C@@H]2C)c2ccccc2Cl)c1 ZINC000462245281 823894350 /nfs/dbraw/zinc/89/43/50/823894350.db2.gz IAWKRAJYPSZEAS-AOMKIAJQSA-N 1 2 386.923 4.429 20 0 GIADLO COc1ccc([C@H](C)[NH2+][C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)c(C)c1 ZINC000414059476 823897698 /nfs/dbraw/zinc/89/76/98/823897698.db2.gz IRCPSSMTVCWSDE-KSFYIVLOSA-N 1 2 395.503 4.195 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc(C2N=NC(=S)O2)cc1 ZINC000126560925 823899219 /nfs/dbraw/zinc/89/92/19/823899219.db2.gz JOYKWWKBIJHAHC-UHFFFAOYSA-N 1 2 397.847 4.117 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2nc(C(C)(C)C)cs2)CC1 ZINC000462263788 823904768 /nfs/dbraw/zinc/90/47/68/823904768.db2.gz PXGMVMLOUHYUQF-ZDUSSCGKSA-N 1 2 378.567 4.413 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@@H+]3CCC[C@H](c4ccccc4)CC3)nc2c1 ZINC000126594734 823907495 /nfs/dbraw/zinc/90/74/95/823907495.db2.gz JPKZVINEQSZAFE-SFHVURJKSA-N 1 2 398.528 4.391 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@H+]3CCC[C@H](c4ccccc4)CC3)nc2c1 ZINC000126594734 823907497 /nfs/dbraw/zinc/90/74/97/823907497.db2.gz JPKZVINEQSZAFE-SFHVURJKSA-N 1 2 398.528 4.391 20 0 GIADLO Cc1nc2ccccc2n1CCc1noc(-c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000575093511 823910012 /nfs/dbraw/zinc/91/00/12/823910012.db2.gz YJKIJKUBOQGLRO-UHFFFAOYSA-N 1 2 384.443 4.132 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3Br)s1 ZINC000414104771 823910818 /nfs/dbraw/zinc/91/08/18/823910818.db2.gz VTBLNDRTXXZJTA-RNCFNFMXSA-N 1 2 381.295 4.030 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(F)c(Cl)c2)CC1 ZINC000462300633 823916336 /nfs/dbraw/zinc/91/63/36/823916336.db2.gz WAOOMQZFKCNCBG-CYBMUJFWSA-N 1 2 381.904 4.129 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC000192253417 823917739 /nfs/dbraw/zinc/91/77/39/823917739.db2.gz VGCWEIPGKBNCJZ-UHFFFAOYSA-N 1 2 391.519 4.161 20 0 GIADLO Cc1[nH]c2ccccc2c1CCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462306667 823919004 /nfs/dbraw/zinc/91/90/04/823919004.db2.gz SCTRVYLFTKKWHK-KRWDZBQOSA-N 1 2 396.560 4.169 20 0 GIADLO CCC[C@@H](C)c1cc(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)n[nH]1 ZINC000192257325 823919558 /nfs/dbraw/zinc/91/95/58/823919558.db2.gz HJEVCNKLQVJBSQ-OAHLLOKOSA-N 1 2 382.468 4.233 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc4ccccc4n3)c2C1 ZINC000575152049 823924571 /nfs/dbraw/zinc/92/45/71/823924571.db2.gz JEUIZMWYOSVXPP-UHFFFAOYSA-N 1 2 396.494 4.091 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc4ccccc4n3)c2C1 ZINC000575152049 823924575 /nfs/dbraw/zinc/92/45/75/823924575.db2.gz JEUIZMWYOSVXPP-UHFFFAOYSA-N 1 2 396.494 4.091 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2cccnc2N2CCCC2)no1)c1cccc(Cl)c1 ZINC000575161330 823927516 /nfs/dbraw/zinc/92/75/16/823927516.db2.gz QIJDSAFIJKMLCI-KRWDZBQOSA-N 1 2 383.883 4.036 20 0 GIADLO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)c1 ZINC000414209962 823929853 /nfs/dbraw/zinc/92/98/53/823929853.db2.gz LUZRAWDWHGGTFW-LBPRGKRZSA-N 1 2 398.981 4.320 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2c(F)cc(F)cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000192286183 823933666 /nfs/dbraw/zinc/93/36/66/823933666.db2.gz YAXNBWQPFHAAAK-HZMBPMFUSA-N 1 2 399.239 4.039 20 0 GIADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000575193502 823934941 /nfs/dbraw/zinc/93/49/41/823934941.db2.gz IOMXZTWJXDUBGM-HZMBPMFUSA-N 1 2 393.331 4.417 20 0 GIADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000575193502 823934950 /nfs/dbraw/zinc/93/49/50/823934950.db2.gz IOMXZTWJXDUBGM-HZMBPMFUSA-N 1 2 393.331 4.417 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)cc1Br ZINC000414239155 823937249 /nfs/dbraw/zinc/93/72/49/823937249.db2.gz KRZYAGSUNJDGMK-SECBINFHSA-N 1 2 390.203 4.117 20 0 GIADLO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414243060 823938334 /nfs/dbraw/zinc/93/83/34/823938334.db2.gz QOKOHUDBQNGGDD-QGZVFWFLSA-N 1 2 379.909 4.055 20 0 GIADLO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)cc1 ZINC000414268945 823947501 /nfs/dbraw/zinc/94/75/01/823947501.db2.gz XOICZDORYMJSBH-CYBMUJFWSA-N 1 2 395.429 4.220 20 0 GIADLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc4cnccc43)c2C1 ZINC000462381841 823951893 /nfs/dbraw/zinc/95/18/93/823951893.db2.gz ZETOEBMUTMUZOR-MRXNPFEDSA-N 1 2 395.528 4.396 20 0 GIADLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc4cnccc43)c2C1 ZINC000462381841 823951899 /nfs/dbraw/zinc/95/18/99/823951899.db2.gz ZETOEBMUTMUZOR-MRXNPFEDSA-N 1 2 395.528 4.396 20 0 GIADLO CC(C)c1c(NC(=O)NCCCCNc2cccc[nH+]2)cnn1-c1ccccc1 ZINC000192339172 823952059 /nfs/dbraw/zinc/95/20/59/823952059.db2.gz HPJXGGZYTFOFQT-UHFFFAOYSA-N 1 2 392.507 4.405 20 0 GIADLO O=c1oc2ccc(Cl)cc2n1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000065188352 823958011 /nfs/dbraw/zinc/95/80/11/823958011.db2.gz BZAIUPGFSHXPOJ-KRWDZBQOSA-N 1 2 390.842 4.026 20 0 GIADLO O=c1oc2ccc(Cl)cc2n1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000065188352 823958019 /nfs/dbraw/zinc/95/80/19/823958019.db2.gz BZAIUPGFSHXPOJ-KRWDZBQOSA-N 1 2 390.842 4.026 20 0 GIADLO COc1cccc([C@@H](C)[NH2+]Cc2nc(-c3cc(Br)cs3)no2)c1 ZINC000575345835 823959318 /nfs/dbraw/zinc/95/93/18/823959318.db2.gz BUTICBQIHUCHQK-SNVBAGLBSA-N 1 2 394.294 4.420 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000126825100 823960345 /nfs/dbraw/zinc/96/03/45/823960345.db2.gz LBFUUJGHMQTYPU-UHFFFAOYSA-N 1 2 389.459 4.169 20 0 GIADLO COc1ccc([C@@H](NCc2c[nH+]c(N(C)C)n2C)c2ccccc2Cl)c(C)c1 ZINC000414355603 823963574 /nfs/dbraw/zinc/96/35/74/823963574.db2.gz CIFUQDXXFJLFRS-OAQYLSRUSA-N 1 2 398.938 4.336 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000192386536 823967899 /nfs/dbraw/zinc/96/78/99/823967899.db2.gz UYBANNFNNKRQLF-OAHLLOKOSA-N 1 2 391.585 4.382 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000462421848 823969179 /nfs/dbraw/zinc/96/91/79/823969179.db2.gz ZKPKUBBYWGQFBY-GFCCVEGCSA-N 1 2 398.454 4.023 20 0 GIADLO CCn1ncc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1-c1ccccc1 ZINC000575429738 823969509 /nfs/dbraw/zinc/96/95/09/823969509.db2.gz YIQXVTNLOSJXRP-UHFFFAOYSA-N 1 2 395.532 4.265 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccnc3ccccc32)C[C@@H](C)O1 ZINC000126939154 823985181 /nfs/dbraw/zinc/98/51/81/823985181.db2.gz RESQFFVKZDMVCR-IAGOWNOFSA-N 1 2 375.472 4.096 20 0 GIADLO O=C(Nc1cccc(OCCF)c1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000126969942 823991868 /nfs/dbraw/zinc/99/18/68/823991868.db2.gz SAHJPAQILRYPSR-LEWJYISDSA-N 1 2 394.450 4.282 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cc2c(s1)CCOC2 ZINC000170869053 823994633 /nfs/dbraw/zinc/99/46/33/823994633.db2.gz CHSFGWXLVHLODW-UHFFFAOYSA-N 1 2 379.485 4.273 20 0 GIADLO CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000170869676 823995168 /nfs/dbraw/zinc/99/51/68/823995168.db2.gz ZVWYQPIILMXFIT-UHFFFAOYSA-N 1 2 387.443 4.099 20 0 GIADLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000575793447 823997656 /nfs/dbraw/zinc/99/76/56/823997656.db2.gz DCTODOVVNGPHTF-CYBMUJFWSA-N 1 2 392.284 4.342 20 0 GIADLO CCOCCOc1ccc(Br)cc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000575793447 823997661 /nfs/dbraw/zinc/99/76/61/823997661.db2.gz DCTODOVVNGPHTF-CYBMUJFWSA-N 1 2 392.284 4.342 20 0 GIADLO CCn1c2ccc(F)cc2nc1C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192460686 823998681 /nfs/dbraw/zinc/99/86/81/823998681.db2.gz OOQYDSMMZXULFC-UHFFFAOYSA-N 1 2 383.442 4.429 20 0 GIADLO O=C(Nc1cc2c(cc1Br)CCC2)N1CCC(n2cc[nH+]c2)CC1 ZINC000192460982 823999149 /nfs/dbraw/zinc/99/91/49/823999149.db2.gz WQQXQBJPSPVYTP-UHFFFAOYSA-N 1 2 389.297 4.003 20 0 GIADLO Cc1cc(C)c(CNC(=O)NCc2cc(Cl)ccc2Br)c[nH+]1 ZINC000575799145 823999403 /nfs/dbraw/zinc/99/94/03/823999403.db2.gz UXHZBHQPKCUVHV-UHFFFAOYSA-N 1 2 382.689 4.114 20 0 GIADLO C[C@H](CC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)n1cc[nH+]c1 ZINC000575806026 824000909 /nfs/dbraw/zinc/00/09/09/824000909.db2.gz QGVRIEMDMKCYKY-GDBMZVCRSA-N 1 2 377.872 4.074 20 0 GIADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2nnc(C3CC3)s2)o1 ZINC000414554491 824010737 /nfs/dbraw/zinc/01/07/37/824010737.db2.gz KZBCXNVDQSNSAL-UHFFFAOYSA-N 1 2 391.500 4.459 20 0 GIADLO CC(C)c1ccccc1NC(=O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000170959785 824019497 /nfs/dbraw/zinc/01/94/97/824019497.db2.gz HHYUSZCVMUVUMA-UHFFFAOYSA-N 1 2 389.540 4.080 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1(c3c(F)cccc3F)CCC1)C2 ZINC000575892743 824021874 /nfs/dbraw/zinc/02/18/74/824021874.db2.gz XJXHRHIBBKFCFM-AWEZNQCLSA-N 1 2 387.474 4.154 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1(c3c(F)cccc3F)CCC1)CC2 ZINC000575892743 824021883 /nfs/dbraw/zinc/02/18/83/824021883.db2.gz XJXHRHIBBKFCFM-AWEZNQCLSA-N 1 2 387.474 4.154 20 0 GIADLO COCc1ccc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)o1 ZINC000192566859 824033551 /nfs/dbraw/zinc/03/35/51/824033551.db2.gz LSKRUQFBJYSXCA-LJQANCHMSA-N 1 2 396.512 4.017 20 0 GIADLO COCc1ccc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)o1 ZINC000192566859 824033556 /nfs/dbraw/zinc/03/35/56/824033556.db2.gz LSKRUQFBJYSXCA-LJQANCHMSA-N 1 2 396.512 4.017 20 0 GIADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000575956768 824037261 /nfs/dbraw/zinc/03/72/61/824037261.db2.gz WXHMAGJNEUHTMF-RDJZCZTQSA-N 1 2 384.842 4.251 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(CCc1ccccc1)Cc1cccnc1 ZINC000171041320 824044951 /nfs/dbraw/zinc/04/49/51/824044951.db2.gz KPUBWTUMRCEPQJ-UHFFFAOYSA-N 1 2 382.467 4.152 20 0 GIADLO Cn1c(=S)n(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)nc1-c1cccnc1 ZINC000171045924 824046474 /nfs/dbraw/zinc/04/64/74/824046474.db2.gz VFUKCCBGSTUXML-SFHVURJKSA-N 1 2 379.533 4.240 20 0 GIADLO Cn1c(=S)n(C[N@H+]2CCC[C@H](c3ccccc3)CC2)nc1-c1cccnc1 ZINC000171045924 824046477 /nfs/dbraw/zinc/04/64/77/824046477.db2.gz VFUKCCBGSTUXML-SFHVURJKSA-N 1 2 379.533 4.240 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(-c3ccsc3)nc2C)c1C ZINC000171063242 824053036 /nfs/dbraw/zinc/05/30/36/824053036.db2.gz PHQSNKUGKFDXRT-UHFFFAOYSA-N 1 2 381.501 4.411 20 0 GIADLO Fc1ccccc1[C@@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CCO1 ZINC000171071222 824055705 /nfs/dbraw/zinc/05/57/05/824055705.db2.gz IQNOAGIRHJJYRO-QHCPKHFHSA-N 1 2 378.447 4.373 20 0 GIADLO Fc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CCO1 ZINC000171071222 824055711 /nfs/dbraw/zinc/05/57/11/824055711.db2.gz IQNOAGIRHJJYRO-QHCPKHFHSA-N 1 2 378.447 4.373 20 0 GIADLO Cc1c(C(=O)Nc2c(C)cc(C)[nH+]c2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000097213740 209016692 /nfs/dbraw/zinc/01/66/92/209016692.db2.gz YENPWCVTGSQLII-UHFFFAOYSA-N 1 2 396.516 4.065 20 0 GIADLO Cc1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ccc1Cl ZINC001164674407 719504786 /nfs/dbraw/zinc/50/47/86/719504786.db2.gz WKDUDJDCRXWVOY-UHFFFAOYSA-N 1 2 389.902 4.054 20 0 GIADLO Cc1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ccc1Cl ZINC001164674407 719504789 /nfs/dbraw/zinc/50/47/89/719504789.db2.gz WKDUDJDCRXWVOY-UHFFFAOYSA-N 1 2 389.902 4.054 20 0 GIADLO COc1ccccc1CSc1ccccc1NC(=O)NCCn1cc[nH+]c1 ZINC000120761226 823058902 /nfs/dbraw/zinc/05/89/02/823058902.db2.gz WQPRTMGWRIAVSP-UHFFFAOYSA-N 1 2 382.489 4.006 20 0 GIADLO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1nccn1CC(F)(F)F)c1cccs1 ZINC000175859349 823056928 /nfs/dbraw/zinc/05/69/28/823056928.db2.gz YHNKJEWNWYKXMG-GJZGRUSLSA-N 1 2 387.471 4.375 20 0 GIADLO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1nccn1CC(F)(F)F)c1cccs1 ZINC000175859349 823056935 /nfs/dbraw/zinc/05/69/35/823056935.db2.gz YHNKJEWNWYKXMG-GJZGRUSLSA-N 1 2 387.471 4.375 20 0 GIADLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(C(C)(C)C(F)(F)F)cc3)n2)C1 ZINC000570603339 823060589 /nfs/dbraw/zinc/06/05/89/823060589.db2.gz OJYZTRXZUDWJCN-OAHLLOKOSA-N 1 2 383.414 4.358 20 0 GIADLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(C(C)(C)C(F)(F)F)cc3)n2)C1 ZINC000570603339 823060592 /nfs/dbraw/zinc/06/05/92/823060592.db2.gz OJYZTRXZUDWJCN-OAHLLOKOSA-N 1 2 383.414 4.358 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cs1)c1ccc(Cl)cc1 ZINC000120781081 823062631 /nfs/dbraw/zinc/06/26/31/823062631.db2.gz ADNLZVWMRVEYEV-UKRRQHHQSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cs1)c1ccc(Cl)cc1 ZINC000120781081 823062636 /nfs/dbraw/zinc/06/26/36/823062636.db2.gz ADNLZVWMRVEYEV-UKRRQHHQSA-N 1 2 393.940 4.074 20 0 GIADLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2csc(CCc3ccccc3)n2)CC1 ZINC000175909939 823070304 /nfs/dbraw/zinc/07/03/04/823070304.db2.gz QOTORLDVWHJDCX-IBGZPJMESA-N 1 2 392.572 4.202 20 0 GIADLO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120843651 823075187 /nfs/dbraw/zinc/07/51/87/823075187.db2.gz IROYGSULULHQAY-UHFFFAOYSA-N 1 2 391.315 4.398 20 0 GIADLO O=C(NCc1cccc(COc2ccccc2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000055991475 823075922 /nfs/dbraw/zinc/07/59/22/823075922.db2.gz CWHHIUVHRKIEPK-UHFFFAOYSA-N 1 2 397.478 4.440 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(OCC3CC3)cc2)C[C@H](C)O1 ZINC000056016620 823079159 /nfs/dbraw/zinc/07/91/59/823079159.db2.gz CVDSZLMDBMIKSK-HDICACEKSA-N 1 2 394.515 4.337 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(OCC3CC3)cc2)C[C@H](C)O1 ZINC000056016620 823079164 /nfs/dbraw/zinc/07/91/64/823079164.db2.gz CVDSZLMDBMIKSK-HDICACEKSA-N 1 2 394.515 4.337 20 0 GIADLO O=C(CCOc1ccccc1-c1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120918988 823086677 /nfs/dbraw/zinc/08/66/77/823086677.db2.gz UZNPBTPSUCZICA-NRFANRHFSA-N 1 2 388.467 4.197 20 0 GIADLO COc1cc(Br)c(C[NH2+]C(C)(C)c2ncc(C)s2)cc1OC ZINC000175980655 823087911 /nfs/dbraw/zinc/08/79/11/823087911.db2.gz OPKPNENSIDXTMP-UHFFFAOYSA-N 1 2 385.327 4.256 20 0 GIADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1nc2cc(Br)ccc2[nH]1 ZINC000187563970 823089039 /nfs/dbraw/zinc/08/90/39/823089039.db2.gz DYBUGRCBUVFSAS-UHFFFAOYSA-N 1 2 398.308 4.237 20 0 GIADLO CC(C)COc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120955576 823092522 /nfs/dbraw/zinc/09/25/22/823092522.db2.gz ZIXOBYZMQYEYOT-MOPGFXCFSA-N 1 2 398.551 4.180 20 0 GIADLO CC(C)COc1ccc([C@H](C)NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120955404 823092544 /nfs/dbraw/zinc/09/25/44/823092544.db2.gz ZIXOBYZMQYEYOT-RBUKOAKNSA-N 1 2 398.551 4.180 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cccc(C(F)(F)F)c1F ZINC000175998364 823091933 /nfs/dbraw/zinc/09/19/33/823091933.db2.gz LEZHEFPVNUZLKH-UHFFFAOYSA-N 1 2 391.368 4.062 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000176004331 823093139 /nfs/dbraw/zinc/09/31/39/823093139.db2.gz PIHUTXUIYWVQIQ-HSZRJFAPSA-N 1 2 392.547 4.268 20 0 GIADLO C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000570836909 823093522 /nfs/dbraw/zinc/09/35/22/823093522.db2.gz XMZIBLAMKWSSOS-RZJBWQBDSA-N 1 2 375.472 4.001 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1cccc(C)n1)c1ccccc1 ZINC000056202045 823102108 /nfs/dbraw/zinc/10/21/08/823102108.db2.gz LDQAIWQUHHYSBA-JOCHJYFZSA-N 1 2 375.472 4.177 20 0 GIADLO COc1ccc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c(OC)c1 ZINC000056202186 823102355 /nfs/dbraw/zinc/10/23/55/823102355.db2.gz YMOMNOQQUJLMFT-JOCHJYFZSA-N 1 2 376.456 4.173 20 0 GIADLO O=C(C1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1)C(F)(F)F ZINC000187661449 823107873 /nfs/dbraw/zinc/10/78/73/823107873.db2.gz NPWFBPCVRGETAT-UHFFFAOYSA-N 1 2 378.394 4.004 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1ncnc2ccccc21 ZINC000570922159 823108034 /nfs/dbraw/zinc/10/80/34/823108034.db2.gz YJXGVPUAHHUUAZ-UHFFFAOYSA-N 1 2 387.487 4.322 20 0 GIADLO COc1cccc(C2(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)CCCC2)c1 ZINC000570934678 823109432 /nfs/dbraw/zinc/10/94/32/823109432.db2.gz NVCYYCCTJBLPGR-UHFFFAOYSA-N 1 2 389.499 4.182 20 0 GIADLO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121065584 823111664 /nfs/dbraw/zinc/11/16/64/823111664.db2.gz QLCBZFLRHQEDSC-MRXNPFEDSA-N 1 2 389.565 4.235 20 0 GIADLO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121065584 823111668 /nfs/dbraw/zinc/11/16/68/823111668.db2.gz QLCBZFLRHQEDSC-MRXNPFEDSA-N 1 2 389.565 4.235 20 0 GIADLO O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000056249288 823112199 /nfs/dbraw/zinc/11/21/99/823112199.db2.gz BWUBJSWJYRPYKN-UHFFFAOYSA-N 1 2 395.875 4.356 20 0 GIADLO CC(C)=CCC[C@@H](C)NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1scnc1C ZINC000459005176 823115549 /nfs/dbraw/zinc/11/55/49/823115549.db2.gz HFARCGHAQNUAPZ-NJAFHUGGSA-N 1 2 396.576 4.140 20 0 GIADLO CC(C)=CCC[C@@H](C)NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1scnc1C ZINC000459005176 823115550 /nfs/dbraw/zinc/11/55/50/823115550.db2.gz HFARCGHAQNUAPZ-NJAFHUGGSA-N 1 2 396.576 4.140 20 0 GIADLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)n(C(C)(C)C)n1 ZINC000121150480 823127782 /nfs/dbraw/zinc/12/77/82/823127782.db2.gz SHCVVCVUQFOSKO-HNNXBMFYSA-N 1 2 391.585 4.466 20 0 GIADLO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)n(C(C)(C)C)n1 ZINC000121150480 823127786 /nfs/dbraw/zinc/12/77/86/823127786.db2.gz SHCVVCVUQFOSKO-HNNXBMFYSA-N 1 2 391.585 4.466 20 0 GIADLO O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000571098489 823132136 /nfs/dbraw/zinc/13/21/36/823132136.db2.gz GIRILRNYUSNRSW-IYARVYRRSA-N 1 2 392.528 4.287 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187811590 823138607 /nfs/dbraw/zinc/13/86/07/823138607.db2.gz PMIAWPGTNQVCRW-UHFFFAOYSA-N 1 2 399.416 4.298 20 0 GIADLO CCCN(C(=O)NCCc1cn(C)c[nH+]1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000459191538 823140984 /nfs/dbraw/zinc/14/09/84/823140984.db2.gz XVHWFZWVUISJIE-ZDUSSCGKSA-N 1 2 383.323 4.452 20 0 GIADLO CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000571149051 823141067 /nfs/dbraw/zinc/14/10/67/823141067.db2.gz UCXFJKJXYRMFRO-UHFFFAOYSA-N 1 2 397.910 4.098 20 0 GIADLO Cc1nc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)sc1C ZINC000176167026 823141575 /nfs/dbraw/zinc/14/15/75/823141575.db2.gz CARJPWMFZGYSFB-HXUWFJFHSA-N 1 2 386.542 4.043 20 0 GIADLO O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000571146808 823140707 /nfs/dbraw/zinc/14/07/07/823140707.db2.gz BRUVYIYXENVIRQ-ZOBUZTSGSA-N 1 2 392.425 4.264 20 0 GIADLO Cc1cnn([C@H]2CCC[N@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)c1 ZINC000121265973 823151141 /nfs/dbraw/zinc/15/11/41/823151141.db2.gz GVSBKFOSECOKQK-INIZCTEOSA-N 1 2 383.521 4.019 20 0 GIADLO Cc1cnn([C@H]2CCC[N@@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)c1 ZINC000121265973 823151143 /nfs/dbraw/zinc/15/11/43/823151143.db2.gz GVSBKFOSECOKQK-INIZCTEOSA-N 1 2 383.521 4.019 20 0 GIADLO O=C(Nc1ccc2c(c1)CCCC(=O)N2)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176221034 823155761 /nfs/dbraw/zinc/15/57/61/823155761.db2.gz ODDUHIXSZPEUJW-NRFANRHFSA-N 1 2 395.478 4.094 20 0 GIADLO O=C(Nc1ccc2c(c1)CCCC(=O)N2)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176221034 823155764 /nfs/dbraw/zinc/15/57/64/823155764.db2.gz ODDUHIXSZPEUJW-NRFANRHFSA-N 1 2 395.478 4.094 20 0 GIADLO COc1ccc2cc(CNC(=O)NCc3ccccc3-n3cc[nH+]c3)ccc2c1 ZINC000056516538 823160453 /nfs/dbraw/zinc/16/04/53/823160453.db2.gz XSMLWGCPXJQHAJ-UHFFFAOYSA-N 1 2 386.455 4.034 20 0 GIADLO COc1cc(Br)c(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1OC ZINC000571310088 823163692 /nfs/dbraw/zinc/16/36/92/823163692.db2.gz ILLSBGJGQABHSK-MRXNPFEDSA-N 1 2 377.282 4.198 20 0 GIADLO COc1cc(Br)c(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1OC ZINC000571310088 823163694 /nfs/dbraw/zinc/16/36/94/823163694.db2.gz ILLSBGJGQABHSK-MRXNPFEDSA-N 1 2 377.282 4.198 20 0 GIADLO COc1cccc(Cc2nnc(SCc3ccc(-n4cc[nH+]c4)cc3)o2)c1 ZINC000187961327 823164253 /nfs/dbraw/zinc/16/42/53/823164253.db2.gz RPSGGZVEIJSSCP-UHFFFAOYSA-N 1 2 378.457 4.147 20 0 GIADLO CCCc1c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cnn1C1CCCC1 ZINC000571359450 823170399 /nfs/dbraw/zinc/17/03/99/823170399.db2.gz IOFWAKXBQPNNIT-UHFFFAOYSA-N 1 2 391.519 4.126 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2cccc(O)c2Br)cc(OC)c1OC ZINC000459378277 823177273 /nfs/dbraw/zinc/17/72/73/823177273.db2.gz QIZIWBJPTAYYAX-NSHDSACASA-N 1 2 396.281 4.031 20 0 GIADLO COC(=O)c1cccnc1C[N@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000459377552 823176872 /nfs/dbraw/zinc/17/68/72/823176872.db2.gz YAJCUAXIZCQNOQ-OAHLLOKOSA-N 1 2 381.501 4.493 20 0 GIADLO COC(=O)c1cccnc1C[N@@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000459377552 823176874 /nfs/dbraw/zinc/17/68/74/823176874.db2.gz YAJCUAXIZCQNOQ-OAHLLOKOSA-N 1 2 381.501 4.493 20 0 GIADLO Oc1cccc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)c1Br ZINC000459380864 823177899 /nfs/dbraw/zinc/17/78/99/823177899.db2.gz BQCWBLGQCDOBEM-UHFFFAOYSA-N 1 2 390.325 4.220 20 0 GIADLO Oc1cccc(C[NH2+]Cc2ccc(OC3CCCC3)nc2)c1Br ZINC000459384793 823179241 /nfs/dbraw/zinc/17/92/41/823179241.db2.gz GVVXYOCAENPGHT-UHFFFAOYSA-N 1 2 377.282 4.161 20 0 GIADLO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121430928 823183173 /nfs/dbraw/zinc/18/31/73/823183173.db2.gz LVBVZXWZQOSSKM-CWRNSKLLSA-N 1 2 377.271 4.172 20 0 GIADLO Oc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1Br ZINC000459401861 823184975 /nfs/dbraw/zinc/18/49/75/823184975.db2.gz YNURDNXGBDOAHY-WMZOPIPTSA-N 1 2 380.257 4.304 20 0 GIADLO C[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000176350584 823189377 /nfs/dbraw/zinc/18/93/77/823189377.db2.gz UOSINGXKNJIXMC-MSOLQXFVSA-N 1 2 378.476 4.276 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(-c2ccc(Cl)s2)on1 ZINC000121487695 823193416 /nfs/dbraw/zinc/19/34/16/823193416.db2.gz VEMNBNKTVZQCBA-UHFFFAOYSA-N 1 2 398.875 4.231 20 0 GIADLO COc1cc(F)ccc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000121500496 823195047 /nfs/dbraw/zinc/19/50/47/823195047.db2.gz BNRFYPWWDDCFNV-UYAOXDASSA-N 1 2 380.423 4.081 20 0 GIADLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(-c3ccccc3OC)cc2)no1 ZINC000571544513 823198113 /nfs/dbraw/zinc/19/81/13/823198113.db2.gz LNVAXXKIOQKSBN-UHFFFAOYSA-N 1 2 380.444 4.162 20 0 GIADLO COc1ccc(C(=O)CCCCCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000188225134 823206235 /nfs/dbraw/zinc/20/62/35/823206235.db2.gz XSUSMWHWCLQBKM-RXVVDRJESA-N 1 2 397.519 4.135 20 0 GIADLO Cc1ccc(S[C@@H](C(=O)NCCc2c[nH+]cn2C)c2ccccc2)c(C)c1 ZINC000121600402 823214114 /nfs/dbraw/zinc/21/41/14/823214114.db2.gz MBPBWTWSPZGNKO-OAQYLSRUSA-N 1 2 379.529 4.229 20 0 GIADLO Cn1c[nH+]cc1CCNC(=O)c1c(Cl)cccc1Oc1ccccc1Cl ZINC000121606950 823214845 /nfs/dbraw/zinc/21/48/45/823214845.db2.gz STVAVMCRTFZEQF-UHFFFAOYSA-N 1 2 390.270 4.492 20 0 GIADLO CC1(C)Cc2ccsc2C[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000459572447 823223177 /nfs/dbraw/zinc/22/31/77/823223177.db2.gz ALTVQDFCTFVQIC-UHFFFAOYSA-N 1 2 394.294 4.491 20 0 GIADLO CC1(C)Cc2ccsc2C[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000459572447 823223180 /nfs/dbraw/zinc/22/31/80/823223180.db2.gz ALTVQDFCTFVQIC-UHFFFAOYSA-N 1 2 394.294 4.491 20 0 GIADLO CCn1ccnc1[C@H]1OCC[C@@H]1Nc1cc[nH+]c2c(Br)cccc12 ZINC000571715673 823223364 /nfs/dbraw/zinc/22/33/64/823223364.db2.gz QDRGGBOONYDFIR-RDJZCZTQSA-N 1 2 387.281 4.156 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)Cc3ccc(OCC(F)(F)F)cc3)[nH+]c12 ZINC000176505841 823223725 /nfs/dbraw/zinc/22/37/25/823223725.db2.gz PCXCCIBEKXQHJP-SANMLTNESA-N 1 2 382.407 4.033 20 0 GIADLO Cc1cccn2cc(C[S@](=O)Cc3csc(Cc4ccccc4)n3)[nH+]c12 ZINC000176505604 823223806 /nfs/dbraw/zinc/22/38/06/823223806.db2.gz ZFMFVAIIYRTOJU-SANMLTNESA-N 1 2 381.526 4.139 20 0 GIADLO C[C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409463565 823225785 /nfs/dbraw/zinc/22/57/85/823225785.db2.gz FOCWYDRXJQNLPZ-HNNXBMFYSA-N 1 2 387.405 4.370 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000056872927 823226531 /nfs/dbraw/zinc/22/65/31/823226531.db2.gz MPYGYPIMTNBBBF-NRFANRHFSA-N 1 2 378.451 4.117 20 0 GIADLO CN1CC[NH+](Cc2cccc(NC(=O)c3sccc3-c3ccccc3)c2)CC1 ZINC000409470129 823227845 /nfs/dbraw/zinc/22/78/45/823227845.db2.gz OLPWVFBEMLSTHO-UHFFFAOYSA-N 1 2 391.540 4.415 20 0 GIADLO CC(C)Oc1cccc([C@@H](C)NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000056895379 823229301 /nfs/dbraw/zinc/22/93/01/823229301.db2.gz WLEUTRONHTUHMI-QGZVFWFLSA-N 1 2 378.476 4.220 20 0 GIADLO C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000056894440 823229344 /nfs/dbraw/zinc/22/93/44/823229344.db2.gz GDNZKROTSHZOGS-AWEZNQCLSA-N 1 2 388.393 4.452 20 0 GIADLO CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000176530580 823230068 /nfs/dbraw/zinc/23/00/68/823230068.db2.gz ZFLNFQPEDWSKIO-UHFFFAOYSA-N 1 2 381.907 4.470 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)Nc1ccc(OCc2ccccc2)cc1 ZINC000409484780 823232139 /nfs/dbraw/zinc/23/21/39/823232139.db2.gz IHUBQRKMSKFGIS-UHFFFAOYSA-N 1 2 376.460 4.284 20 0 GIADLO c1cn2cc(C[NH2+]Cc3cc4ccccc4nc3N3CCCCC3)nc2s1 ZINC000409491398 823233743 /nfs/dbraw/zinc/23/37/43/823233743.db2.gz MXQFJTLKSLFNEO-UHFFFAOYSA-N 1 2 377.517 4.224 20 0 GIADLO C[C@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)c1nc2c(s1)CCC2 ZINC000459635285 823234582 /nfs/dbraw/zinc/23/45/82/823234582.db2.gz TVGLJKQHCKTHAA-JTQLQIEISA-N 1 2 391.338 4.132 20 0 GIADLO CCC(=O)c1ccc(OCCCCC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000409500800 823235646 /nfs/dbraw/zinc/23/56/46/823235646.db2.gz KRJZEOHPAVKQLK-UHFFFAOYSA-N 1 2 379.460 4.423 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000571810780 823238087 /nfs/dbraw/zinc/23/80/87/823238087.db2.gz OFTJNXUREXOAQB-UONOGXRCSA-N 1 2 387.817 4.224 20 0 GIADLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000409530270 823242523 /nfs/dbraw/zinc/24/25/23/823242523.db2.gz PJRNDTFCDCWSJV-CYBMUJFWSA-N 1 2 391.368 4.450 20 0 GIADLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C)n1C1CC1 ZINC000459658993 823242971 /nfs/dbraw/zinc/24/29/71/823242971.db2.gz JUDALTAHFFDKCL-LJQANCHMSA-N 1 2 398.469 4.304 20 0 GIADLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C)n1C1CC1 ZINC000459658993 823242979 /nfs/dbraw/zinc/24/29/79/823242979.db2.gz JUDALTAHFFDKCL-LJQANCHMSA-N 1 2 398.469 4.304 20 0 GIADLO CC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(Br)cc1Cl ZINC000188459638 823243692 /nfs/dbraw/zinc/24/36/92/823243692.db2.gz WPWPTAYCDJPUNI-AWEZNQCLSA-N 1 2 383.721 4.271 20 0 GIADLO CN1CC[NH+](Cc2cccc(NC(=O)CCCC[C@H]3CCSS3)c2)CC1 ZINC000057054099 823243949 /nfs/dbraw/zinc/24/39/49/823243949.db2.gz DQDUBORPBMDCAS-IBGZPJMESA-N 1 2 393.622 4.087 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000571899356 823251244 /nfs/dbraw/zinc/25/12/44/823251244.db2.gz SLQSHMVCGZYWKJ-KRWDZBQOSA-N 1 2 380.414 4.229 20 0 GIADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000459709393 823254926 /nfs/dbraw/zinc/25/49/26/823254926.db2.gz KVUIVAAFHHIWOG-INIZCTEOSA-N 1 2 383.517 4.455 20 0 GIADLO CCOC[C@@H]1CCCC[N@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000459709393 823254928 /nfs/dbraw/zinc/25/49/28/823254928.db2.gz KVUIVAAFHHIWOG-INIZCTEOSA-N 1 2 383.517 4.455 20 0 GIADLO Cc1cccc2nc(C3CCN(C(=O)c4cccc(-n5cc[nH+]c5)c4)CC3)oc21 ZINC000188522413 823255707 /nfs/dbraw/zinc/25/57/07/823255707.db2.gz XUBDFZFXHGDCQA-UHFFFAOYSA-N 1 2 386.455 4.342 20 0 GIADLO Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2)n1 ZINC000176659843 823259964 /nfs/dbraw/zinc/25/99/64/823259964.db2.gz YBFMHESFOLKQSH-SFHVURJKSA-N 1 2 385.471 4.166 20 0 GIADLO Cc1cn2cc(NC(=O)NCc3ccncc3OCCC(C)(C)C)ccc2[nH+]1 ZINC000571957275 823260030 /nfs/dbraw/zinc/26/00/30/823260030.db2.gz ORJSMGZBNPTKTR-UHFFFAOYSA-N 1 2 381.480 4.174 20 0 GIADLO C[C@@H](CCCC(F)(F)F)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409618860 823263219 /nfs/dbraw/zinc/26/32/19/823263219.db2.gz YYZKJBIAYDPGRH-GJZGRUSLSA-N 1 2 386.462 4.230 20 0 GIADLO O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176667892 823262296 /nfs/dbraw/zinc/26/22/96/823262296.db2.gz FCRIBTMHVQPGAR-UHFFFAOYSA-N 1 2 396.353 4.381 20 0 GIADLO Cc1c[nH+]c(CNc2cnn(Cc3ccc(Br)cc3Cl)c2)n1C ZINC000459771399 823262844 /nfs/dbraw/zinc/26/28/44/823262844.db2.gz NKXGKAHJGGAYOC-UHFFFAOYSA-N 1 2 394.704 4.001 20 0 GIADLO CCc1ccc([C@H]2C[N@H+](Cc3c(C)nn(-c4ccccn4)c3C)CCO2)cc1 ZINC000571982363 823265293 /nfs/dbraw/zinc/26/52/93/823265293.db2.gz OCKIZQFHNBPTNJ-JOCHJYFZSA-N 1 2 376.504 4.020 20 0 GIADLO CCc1ccc([C@H]2C[N@@H+](Cc3c(C)nn(-c4ccccn4)c3C)CCO2)cc1 ZINC000571982363 823265294 /nfs/dbraw/zinc/26/52/94/823265294.db2.gz OCKIZQFHNBPTNJ-JOCHJYFZSA-N 1 2 376.504 4.020 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000057216804 823265995 /nfs/dbraw/zinc/26/59/95/823265995.db2.gz JSKKOSSNIVAPKW-UHFFFAOYSA-N 1 2 397.360 4.329 20 0 GIADLO CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1[C@H](CC)[NH+](C)C ZINC000003553588 817483966 /nfs/dbraw/zinc/48/39/66/817483966.db2.gz FJIXXOHZONPYGL-RDJZCZTQSA-N 1 2 389.569 4.210 20 0 GIADLO Cc1ccc2c(C[N@H+](C)CC(=O)Nc3c(C)cccc3C)cc(=O)oc2c1C ZINC000003571781 817487406 /nfs/dbraw/zinc/48/74/06/817487406.db2.gz NNXAEDIQVQTVJD-UHFFFAOYSA-N 1 2 378.472 4.097 20 0 GIADLO Cc1ccc2c(C[N@@H+](C)CC(=O)Nc3c(C)cccc3C)cc(=O)oc2c1C ZINC000003571781 817487412 /nfs/dbraw/zinc/48/74/12/817487412.db2.gz NNXAEDIQVQTVJD-UHFFFAOYSA-N 1 2 378.472 4.097 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1 ZINC000003571063 817487427 /nfs/dbraw/zinc/48/74/27/817487427.db2.gz IYRSCGAYIOQSGO-LBPRGKRZSA-N 1 2 397.302 4.470 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1 ZINC000003571063 817487433 /nfs/dbraw/zinc/48/74/33/817487433.db2.gz IYRSCGAYIOQSGO-LBPRGKRZSA-N 1 2 397.302 4.470 20 0 GIADLO O=C(C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1)Nc1ccc(F)cc1Cl ZINC000121875223 823268001 /nfs/dbraw/zinc/26/80/01/823268001.db2.gz DEICZXDDIHAWIL-CRAIPNDOSA-N 1 2 394.874 4.379 20 0 GIADLO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1)Nc1ccc(F)cc1Cl ZINC000121875223 823268005 /nfs/dbraw/zinc/26/80/05/823268005.db2.gz DEICZXDDIHAWIL-CRAIPNDOSA-N 1 2 394.874 4.379 20 0 GIADLO CC(C)[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1 ZINC000057247673 823270571 /nfs/dbraw/zinc/27/05/71/823270571.db2.gz BNDTVVLKEAZKPI-JOCHJYFZSA-N 1 2 390.487 4.039 20 0 GIADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCC(OC(F)F)CC1 ZINC000572024717 823270816 /nfs/dbraw/zinc/27/08/16/823270816.db2.gz WJHMHQGKJDICMZ-UHFFFAOYSA-N 1 2 387.430 4.338 20 0 GIADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CCC(c2c(F)cccc2F)CC1 ZINC000572028060 823271444 /nfs/dbraw/zinc/27/14/44/823271444.db2.gz DITBNPLBQSTLGW-UHFFFAOYSA-N 1 2 397.429 4.016 20 0 GIADLO Cc1ccccc1Cc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)no1 ZINC000121908941 823275018 /nfs/dbraw/zinc/27/50/18/823275018.db2.gz FRLAOLJRXVGGQI-UXHICEINSA-N 1 2 395.503 4.430 20 0 GIADLO Cc1ccccc1Cc1nc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)no1 ZINC000121908941 823275020 /nfs/dbraw/zinc/27/50/20/823275020.db2.gz FRLAOLJRXVGGQI-UXHICEINSA-N 1 2 395.503 4.430 20 0 GIADLO CC[N@H+](Cc1ncc(I)s1)[C@H](C)c1ccc(F)cc1 ZINC000572080128 823279702 /nfs/dbraw/zinc/27/97/02/823279702.db2.gz YEJOZKLFNXLUDG-SNVBAGLBSA-N 1 2 390.265 4.470 20 0 GIADLO CC[N@@H+](Cc1ncc(I)s1)[C@H](C)c1ccc(F)cc1 ZINC000572080128 823279706 /nfs/dbraw/zinc/27/97/06/823279706.db2.gz YEJOZKLFNXLUDG-SNVBAGLBSA-N 1 2 390.265 4.470 20 0 GIADLO CC(C)n1cnc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000409663337 823277308 /nfs/dbraw/zinc/27/73/08/823277308.db2.gz FBMAABFVCPURQM-UHFFFAOYSA-N 1 2 395.334 4.165 20 0 GIADLO C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000460107052 823285717 /nfs/dbraw/zinc/28/57/17/823285717.db2.gz DGVFWDXMGVYHAG-OAHLLOKOSA-N 1 2 380.423 4.101 20 0 GIADLO OCCC[C@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccccc1 ZINC000121951286 823283669 /nfs/dbraw/zinc/28/36/69/823283669.db2.gz SREQXAGNZPCMAX-KRWDZBQOSA-N 1 2 383.517 4.280 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000057373666 823283996 /nfs/dbraw/zinc/28/39/96/823283996.db2.gz DPPGQPMMADGBDP-HXUWFJFHSA-N 1 2 382.895 4.406 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000057377746 823284819 /nfs/dbraw/zinc/28/48/19/823284819.db2.gz NECLFJHRKREPMX-UHFFFAOYSA-N 1 2 382.439 4.094 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000460103914 823285147 /nfs/dbraw/zinc/28/51/47/823285147.db2.gz FTGISWNPSAEXRE-LJQANCHMSA-N 1 2 382.529 4.045 20 0 GIADLO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000121971896 823287088 /nfs/dbraw/zinc/28/70/88/823287088.db2.gz MAZGMNCWLANDSL-KBXCAEBGSA-N 1 2 383.492 4.277 20 0 GIADLO C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000121971896 823287094 /nfs/dbraw/zinc/28/70/94/823287094.db2.gz MAZGMNCWLANDSL-KBXCAEBGSA-N 1 2 383.492 4.277 20 0 GIADLO Cc1sc2nc(C[NH+]3CCCC3)nc(SCC3CCOCC3)c2c1C ZINC000572156522 823291419 /nfs/dbraw/zinc/29/14/19/823291419.db2.gz IFTGKWNPSAZSCW-UHFFFAOYSA-N 1 2 377.579 4.423 20 0 GIADLO O=c1nc(C[N@H+]2CCC[C@@H](O)CC2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000572131386 823287878 /nfs/dbraw/zinc/28/78/78/823287878.db2.gz YONSXVQQBRZLIM-GFCCVEGCSA-N 1 2 389.908 4.064 20 0 GIADLO O=c1nc(C[N@@H+]2CCC[C@@H](O)CC2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000572131386 823287883 /nfs/dbraw/zinc/28/78/83/823287883.db2.gz YONSXVQQBRZLIM-GFCCVEGCSA-N 1 2 389.908 4.064 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N[C@@H]3CCO[C@@]4(CCSC4)C3)c12 ZINC000409730776 823292809 /nfs/dbraw/zinc/29/28/09/823292809.db2.gz IUQKSURVDSLDGH-DIFFPNOSSA-N 1 2 397.313 4.025 20 0 GIADLO CCCCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1[C@H](CC)[NH+](C)C ZINC000122025440 823295134 /nfs/dbraw/zinc/29/51/34/823295134.db2.gz NSFIAEMVLHEQQW-KGLIPLIRSA-N 1 2 380.562 4.451 20 0 GIADLO CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000122026519 823295525 /nfs/dbraw/zinc/29/55/25/823295525.db2.gz ZRFNXBXENTWRHY-KRWDZBQOSA-N 1 2 380.467 4.363 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000007717528 817901657 /nfs/dbraw/zinc/90/16/57/817901657.db2.gz CHGIIZDNBIIDMQ-HXUWFJFHSA-N 1 2 382.504 4.405 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000007717528 817901660 /nfs/dbraw/zinc/90/16/60/817901660.db2.gz CHGIIZDNBIIDMQ-HXUWFJFHSA-N 1 2 382.504 4.405 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)cc2)c1 ZINC000007915674 817957430 /nfs/dbraw/zinc/95/74/30/817957430.db2.gz QHKLFJWNVYSQLR-CYBMUJFWSA-N 1 2 389.293 4.111 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)cc2)c1 ZINC000007915674 817957436 /nfs/dbraw/zinc/95/74/36/817957436.db2.gz QHKLFJWNVYSQLR-CYBMUJFWSA-N 1 2 389.293 4.111 20 0 GIADLO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)NCc1ccc(F)cc1 ZINC000008000893 817978597 /nfs/dbraw/zinc/97/85/97/817978597.db2.gz UOJNEUSYXVDMDG-HXUWFJFHSA-N 1 2 386.517 4.213 20 0 GIADLO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)NCc1ccc(F)cc1 ZINC000008000893 817978602 /nfs/dbraw/zinc/97/86/02/817978602.db2.gz UOJNEUSYXVDMDG-HXUWFJFHSA-N 1 2 386.517 4.213 20 0 GIADLO COc1ccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000008000880 817978718 /nfs/dbraw/zinc/97/87/18/817978718.db2.gz PNGWOJNGRLIIGB-OAQYLSRUSA-N 1 2 398.553 4.082 20 0 GIADLO COc1ccc(CNC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000008000880 817978723 /nfs/dbraw/zinc/97/87/23/817978723.db2.gz PNGWOJNGRLIIGB-OAQYLSRUSA-N 1 2 398.553 4.082 20 0 GIADLO S=C(Nc1cccc(Br)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000008111370 818002261 /nfs/dbraw/zinc/00/22/61/818002261.db2.gz YELATRQMRGHZOM-UHFFFAOYSA-N 1 2 396.379 4.025 20 0 GIADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000011200176 818061169 /nfs/dbraw/zinc/06/11/69/818061169.db2.gz LVGOSHBMGPKOLN-JOCHJYFZSA-N 1 2 380.513 4.094 20 0 GIADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000011200176 818061175 /nfs/dbraw/zinc/06/11/75/818061175.db2.gz LVGOSHBMGPKOLN-JOCHJYFZSA-N 1 2 380.513 4.094 20 0 GIADLO CCN(C(=O)[C@@H]1Cc2ccccc21)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000460185762 823309601 /nfs/dbraw/zinc/30/96/01/823309601.db2.gz LKQGQWBHEJZLLA-OAQYLSRUSA-N 1 2 392.547 4.066 20 0 GIADLO Cc1ccnc(OC2CC[NH+]([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)CC2)c1 ZINC000572268909 823310416 /nfs/dbraw/zinc/31/04/16/823310416.db2.gz SWEPRPLRIIROGV-INIZCTEOSA-N 1 2 387.911 4.222 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(CC(C)C)CC(F)(F)F)s1 ZINC000122142587 823312236 /nfs/dbraw/zinc/31/22/36/823312236.db2.gz PEKIPXRNRFTSBX-CYBMUJFWSA-N 1 2 379.492 4.054 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(CC(C)C)CC(F)(F)F)s1 ZINC000122142587 823312240 /nfs/dbraw/zinc/31/22/40/823312240.db2.gz PEKIPXRNRFTSBX-CYBMUJFWSA-N 1 2 379.492 4.054 20 0 GIADLO Cc1ccc(OCC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000011762684 818117210 /nfs/dbraw/zinc/11/72/10/818117210.db2.gz ZGTCHBIFIOXZKE-UHFFFAOYSA-N 1 2 393.512 4.027 20 0 GIADLO Cc1ccc(OCC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000011762684 818117215 /nfs/dbraw/zinc/11/72/15/818117215.db2.gz ZGTCHBIFIOXZKE-UHFFFAOYSA-N 1 2 393.512 4.027 20 0 GIADLO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000012441126 818160178 /nfs/dbraw/zinc/16/01/78/818160178.db2.gz RUXZFOHTPGJSGT-QFIPXVFZSA-N 1 2 388.471 4.262 20 0 GIADLO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000012441126 818160183 /nfs/dbraw/zinc/16/01/83/818160183.db2.gz RUXZFOHTPGJSGT-QFIPXVFZSA-N 1 2 388.471 4.262 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000409822073 823316854 /nfs/dbraw/zinc/31/68/54/823316854.db2.gz GKHZYCIICWZMEO-UHFFFAOYSA-N 1 2 399.332 4.193 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(OC(F)F)cc2)s1 ZINC000122182339 823317981 /nfs/dbraw/zinc/31/79/81/823317981.db2.gz BKJZQDFQSIVBRH-LBPRGKRZSA-N 1 2 383.464 4.247 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(OC(F)F)cc2)s1 ZINC000122182339 823317985 /nfs/dbraw/zinc/31/79/85/823317985.db2.gz BKJZQDFQSIVBRH-LBPRGKRZSA-N 1 2 383.464 4.247 20 0 GIADLO O=C(c1ccc(Oc2ccc(Cl)cc2)cn1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000572352347 823326022 /nfs/dbraw/zinc/32/60/22/823326022.db2.gz MNGNBVHHROYWKC-MRXNPFEDSA-N 1 2 382.851 4.029 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Oc4ccc(F)cc4)cc3)sc2C1 ZINC000014164112 818225247 /nfs/dbraw/zinc/22/52/47/818225247.db2.gz XILRIJNOSLHUDB-UHFFFAOYSA-N 1 2 383.448 4.315 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(Oc4ccc(F)cc4)cc3)sc2C1 ZINC000014164112 818225251 /nfs/dbraw/zinc/22/52/51/818225251.db2.gz XILRIJNOSLHUDB-UHFFFAOYSA-N 1 2 383.448 4.315 20 0 GIADLO COc1ccccc1-c1nn(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(=S)n1C ZINC000014308302 818233569 /nfs/dbraw/zinc/23/35/69/818233569.db2.gz YEYRLPVUFQQELJ-GOSISDBHSA-N 1 2 380.517 4.421 20 0 GIADLO COc1ccccc1-c1nn(C[N@H+]2CCC[C@@H]2c2ccccc2)c(=S)n1C ZINC000014308302 818233575 /nfs/dbraw/zinc/23/35/75/818233575.db2.gz YEYRLPVUFQQELJ-GOSISDBHSA-N 1 2 380.517 4.421 20 0 GIADLO C[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)c1cn(-c2ccccc2)nn1 ZINC000409843438 823323103 /nfs/dbraw/zinc/32/31/03/823323103.db2.gz NVJFPWADQJMYIB-DYVFJYSZSA-N 1 2 399.292 4.204 20 0 GIADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000122227796 823324575 /nfs/dbraw/zinc/32/45/75/823324575.db2.gz OQZZSPBHKCXVIB-INIZCTEOSA-N 1 2 383.879 4.433 20 0 GIADLO CC(C)Oc1cccc([C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C(F)F)c1 ZINC000572345305 823325004 /nfs/dbraw/zinc/32/50/04/823325004.db2.gz ZSDGXLPQBPYLMH-LJQANCHMSA-N 1 2 392.446 4.267 20 0 GIADLO Cc1nc([C@@H]2CCCN2C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cs1 ZINC000188909343 823326601 /nfs/dbraw/zinc/32/66/01/823326601.db2.gz DLSTZXQLHFVTJG-SFHVURJKSA-N 1 2 397.504 4.096 20 0 GIADLO COC(=O)c1ccc(Oc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)cc1 ZINC000015207238 818300120 /nfs/dbraw/zinc/30/01/20/818300120.db2.gz ASTUTBAJDNDIHR-UHFFFAOYSA-N 1 2 397.500 4.483 20 0 GIADLO Cc1ccc(N2C(=O)c3ccccc3C(=C[NH2+]Nc3ccccc3C)C2=O)cc1 ZINC000015211035 818300254 /nfs/dbraw/zinc/30/02/54/818300254.db2.gz QQTTWIPBSNZEAA-QNGOZBTKSA-N 1 2 383.451 4.448 20 0 GIADLO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1OC)c1ccccc1 ZINC000015298395 818308469 /nfs/dbraw/zinc/30/84/69/818308469.db2.gz QMZIQQBPEUAZBM-UTKZUKDTSA-N 1 2 384.520 4.182 20 0 GIADLO CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC)c1ccccc1 ZINC000015298395 818308482 /nfs/dbraw/zinc/30/84/82/818308482.db2.gz QMZIQQBPEUAZBM-UTKZUKDTSA-N 1 2 384.520 4.182 20 0 GIADLO Clc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)o1 ZINC000015301086 818310211 /nfs/dbraw/zinc/31/02/11/818310211.db2.gz MEBJZTVGQBYPLO-QGZVFWFLSA-N 1 2 397.862 4.498 20 0 GIADLO Clc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)o1 ZINC000015301086 818310218 /nfs/dbraw/zinc/31/02/18/818310218.db2.gz MEBJZTVGQBYPLO-QGZVFWFLSA-N 1 2 397.862 4.498 20 0 GIADLO CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000015301190 818310249 /nfs/dbraw/zinc/31/02/49/818310249.db2.gz ZCMCBHRKNRCCHV-LJQANCHMSA-N 1 2 391.471 4.407 20 0 GIADLO CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000015301190 818310253 /nfs/dbraw/zinc/31/02/53/818310253.db2.gz ZCMCBHRKNRCCHV-LJQANCHMSA-N 1 2 391.471 4.407 20 0 GIADLO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000572428001 823337242 /nfs/dbraw/zinc/33/72/42/823337242.db2.gz JJVPJVHHKBDTBJ-WMZOPIPTSA-N 1 2 379.426 4.162 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)CC2CC(c3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000409880802 823334780 /nfs/dbraw/zinc/33/47/80/823334780.db2.gz SQFFLDKKFWMSFM-SIIBTQBDSA-N 1 2 384.470 4.410 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)CC2CC(c3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000409880802 823334787 /nfs/dbraw/zinc/33/47/87/823334787.db2.gz SQFFLDKKFWMSFM-SIIBTQBDSA-N 1 2 384.470 4.410 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000122302704 823334768 /nfs/dbraw/zinc/33/47/68/823334768.db2.gz COLBNHJTEDZGGE-UHFFFAOYSA-N 1 2 378.476 4.059 20 0 GIADLO C[C@H](O)[C@@H]([NH2+][C@H]1CCc2c1c(Br)ccc2F)c1ccccc1F ZINC000572413719 823335054 /nfs/dbraw/zinc/33/50/54/823335054.db2.gz QGZZMPFBIYEOSW-MENVHETRSA-N 1 2 382.248 4.426 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000016377313 818431420 /nfs/dbraw/zinc/43/14/20/818431420.db2.gz MAMGEUCCCYOSJZ-CYBMUJFWSA-N 1 2 396.409 4.182 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000016377313 818431422 /nfs/dbraw/zinc/43/14/22/818431422.db2.gz MAMGEUCCCYOSJZ-CYBMUJFWSA-N 1 2 396.409 4.182 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC(c2ccccc2)CC1 ZINC000122318208 823337161 /nfs/dbraw/zinc/33/71/61/823337161.db2.gz JLZKFKKXPKNTNU-UHFFFAOYSA-N 1 2 378.520 4.161 20 0 GIADLO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)C(=O)Nc1cccc3ccccc31)CC2 ZINC000016553946 818454638 /nfs/dbraw/zinc/45/46/38/818454638.db2.gz VSMOPQIVNXRKDZ-MRXNPFEDSA-N 1 2 390.483 4.242 20 0 GIADLO COc1cc2c(cc1OC)C[N@H+]([C@H](C)C(=O)Nc1cccc3ccccc31)CC2 ZINC000016553946 818454644 /nfs/dbraw/zinc/45/46/44/818454644.db2.gz VSMOPQIVNXRKDZ-MRXNPFEDSA-N 1 2 390.483 4.242 20 0 GIADLO CN(C)c1c(Cl)cccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000122338943 823340707 /nfs/dbraw/zinc/34/07/07/823340707.db2.gz SMHYXXVHKZEPLO-UHFFFAOYSA-N 1 2 387.915 4.113 20 0 GIADLO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H](C)c3ccc(Cl)cc3)cs2)c1C ZINC000176985384 823342579 /nfs/dbraw/zinc/34/25/79/823342579.db2.gz QQHOFCAAZXLLSL-ZDUSSCGKSA-N 1 2 388.924 4.025 20 0 GIADLO CSc1ccsc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000409932504 823346518 /nfs/dbraw/zinc/34/65/18/823346518.db2.gz OATFMBXDBSMBGG-UHFFFAOYSA-N 1 2 397.529 4.359 20 0 GIADLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccc(Cl)s1 ZINC000018938934 818581123 /nfs/dbraw/zinc/58/11/23/818581123.db2.gz FDQRIARMJMMUHQ-SECBINFHSA-N 1 2 388.276 4.422 20 0 GIADLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000018938934 818581130 /nfs/dbraw/zinc/58/11/30/818581130.db2.gz FDQRIARMJMMUHQ-SECBINFHSA-N 1 2 388.276 4.422 20 0 GIADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2sc3ccccc3c2Cl)C[C@@H](C)O1 ZINC000021057085 818650729 /nfs/dbraw/zinc/65/07/29/818650729.db2.gz OGCHLAZSDDRKOC-CHWSQXEVSA-N 1 2 380.941 4.172 20 0 GIADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2sc3ccccc3c2Cl)C[C@H](C)O1 ZINC000021057089 818650944 /nfs/dbraw/zinc/65/09/44/818650944.db2.gz OGCHLAZSDDRKOC-BETUJISGSA-N 1 2 380.941 4.172 20 0 GIADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2sc3ccccc3c2Cl)C[C@H](C)O1 ZINC000021057089 818650953 /nfs/dbraw/zinc/65/09/53/818650953.db2.gz OGCHLAZSDDRKOC-BETUJISGSA-N 1 2 380.941 4.172 20 0 GIADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2occc2COc2ccccc2)CC1 ZINC000021381690 818682271 /nfs/dbraw/zinc/68/22/71/818682271.db2.gz XQMQIPYWOSZWLY-UHFFFAOYSA-N 1 2 390.483 4.125 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc2ccc(Cl)cc2n1 ZINC000177038000 823356510 /nfs/dbraw/zinc/35/65/10/823356510.db2.gz YMIRNLWENPRNOM-UHFFFAOYSA-N 1 2 376.847 4.063 20 0 GIADLO Cc1ccc(-n2ncc(C(=O)Nc3cccc4[nH+]ccn43)c2C(F)(F)F)cc1 ZINC000460339272 823357989 /nfs/dbraw/zinc/35/79/89/823357989.db2.gz BJBIKUPJXFDGDB-UHFFFAOYSA-N 1 2 385.349 4.100 20 0 GIADLO CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3cccc4[nH+]ccn43)cc2)no1 ZINC000460341767 823358760 /nfs/dbraw/zinc/35/87/60/823358760.db2.gz POMVGGMDYKMAIN-UHFFFAOYSA-N 1 2 375.432 4.225 20 0 GIADLO COc1ccc(NC(=O)[C@@H]([NH2+][C@H](C)c2cn[nH]c2)c2ccccc2)cc1Cl ZINC000460342767 823358881 /nfs/dbraw/zinc/35/88/81/823358881.db2.gz JIMQJZGFCPJEJP-YJYMSZOUSA-N 1 2 384.867 4.102 20 0 GIADLO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000460344702 823359440 /nfs/dbraw/zinc/35/94/40/823359440.db2.gz BUDDMLJEQRYCEY-MDZRGWNJSA-N 1 2 379.460 4.003 20 0 GIADLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000572558793 823360753 /nfs/dbraw/zinc/36/07/53/823360753.db2.gz NWBBHUVYSHGBQY-SFHVURJKSA-N 1 2 376.522 4.229 20 0 GIADLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000572558793 823360757 /nfs/dbraw/zinc/36/07/57/823360757.db2.gz NWBBHUVYSHGBQY-SFHVURJKSA-N 1 2 376.522 4.229 20 0 GIADLO CCOc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)cc1 ZINC000021996481 818762499 /nfs/dbraw/zinc/76/24/99/818762499.db2.gz BOKKNIQXJANUTP-UTKZUKDTSA-N 1 2 393.487 4.037 20 0 GIADLO CCOc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)cc1 ZINC000021996481 818762505 /nfs/dbraw/zinc/76/25/05/818762505.db2.gz BOKKNIQXJANUTP-UTKZUKDTSA-N 1 2 393.487 4.037 20 0 GIADLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c2cnn(C(C)C)c2n1 ZINC000022290663 818790962 /nfs/dbraw/zinc/79/09/62/818790962.db2.gz NJZDBVNWSVBJMW-UHFFFAOYSA-N 1 2 398.536 4.015 20 0 GIADLO COc1ccc(SCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000022291774 818791026 /nfs/dbraw/zinc/79/10/26/818791026.db2.gz QDGOJSZUUHFNSS-UHFFFAOYSA-N 1 2 391.562 4.114 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2coc3ccc(F)cc23)C[C@H](C)O1 ZINC000572604170 823368316 /nfs/dbraw/zinc/36/83/16/823368316.db2.gz HFBJUZVTGOYWFQ-GJZGRUSLSA-N 1 2 382.435 4.433 20 0 GIADLO Cc1cccc(-c2nnc([C@H](C)N3CC[NH+](C/C=C/c4ccccc4)CC3)o2)c1 ZINC000022777654 818859646 /nfs/dbraw/zinc/85/96/46/818859646.db2.gz BORJJCDZYOOLAG-OEMHODTASA-N 1 2 388.515 4.437 20 0 GIADLO CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022787815 818860804 /nfs/dbraw/zinc/86/08/04/818860804.db2.gz YZCWTYSHTADGLX-VZOQVYJPSA-N 1 2 391.559 4.468 20 0 GIADLO CSCc1c2ccccc2oc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000022840329 818866545 /nfs/dbraw/zinc/86/65/45/818866545.db2.gz FEVRVWOEJRKBGR-LJQANCHMSA-N 1 2 380.513 4.425 20 0 GIADLO CSCc1c2ccccc2oc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000022840329 818866554 /nfs/dbraw/zinc/86/65/54/818866554.db2.gz FEVRVWOEJRKBGR-LJQANCHMSA-N 1 2 380.513 4.425 20 0 GIADLO Cc1cc(-c2ncccc2NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cs1 ZINC000189178694 823370791 /nfs/dbraw/zinc/37/07/91/823370791.db2.gz IINFIEPBWUDPAW-UHFFFAOYSA-N 1 2 393.516 4.435 20 0 GIADLO Cc1cc(-c2ncccc2NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000189196373 823373920 /nfs/dbraw/zinc/37/39/20/823373920.db2.gz YSCIHCMLIJDLOF-UHFFFAOYSA-N 1 2 393.516 4.304 20 0 GIADLO Oc1cccc(C[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)CC2CC2)c1 ZINC000460393521 823374448 /nfs/dbraw/zinc/37/44/48/823374448.db2.gz NWVQCHNEPCGHCZ-UHFFFAOYSA-N 1 2 386.293 4.443 20 0 GIADLO Oc1cccc(C[N@H+](Cc2nc3ccc(Br)cc3[nH]2)CC2CC2)c1 ZINC000460393521 823374456 /nfs/dbraw/zinc/37/44/56/823374456.db2.gz NWVQCHNEPCGHCZ-UHFFFAOYSA-N 1 2 386.293 4.443 20 0 GIADLO FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCCC[C@H]3c3cc[nH]n3)cn2)cc1 ZINC000572647041 823375048 /nfs/dbraw/zinc/37/50/48/823375048.db2.gz XFOTWYCWGBYMDN-IBGZPJMESA-N 1 2 389.425 4.401 20 0 GIADLO FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCCC[C@H]3c3cc[nH]n3)cn2)cc1 ZINC000572647041 823375055 /nfs/dbraw/zinc/37/50/55/823375055.db2.gz XFOTWYCWGBYMDN-IBGZPJMESA-N 1 2 389.425 4.401 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000023829297 818985908 /nfs/dbraw/zinc/98/59/08/818985908.db2.gz SCLMIGGQFPUXPR-UHFFFAOYSA-N 1 2 388.467 4.195 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000023829297 818985915 /nfs/dbraw/zinc/98/59/15/818985915.db2.gz SCLMIGGQFPUXPR-UHFFFAOYSA-N 1 2 388.467 4.195 20 0 GIADLO CC(C)Oc1cccc(CN(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000122626302 823383811 /nfs/dbraw/zinc/38/38/11/823383811.db2.gz NYKVRIGHGWMHDJ-UHFFFAOYSA-N 1 2 392.503 4.060 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)Cc3coc4ccc5ccccc5c34)sc2C1 ZINC000024152184 819027996 /nfs/dbraw/zinc/02/79/96/819027996.db2.gz MNYAIXAIXZROCG-UHFFFAOYSA-N 1 2 377.469 4.212 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)Cc3coc4ccc5ccccc5c34)sc2C1 ZINC000024152184 819028004 /nfs/dbraw/zinc/02/80/04/819028004.db2.gz MNYAIXAIXZROCG-UHFFFAOYSA-N 1 2 377.469 4.212 20 0 GIADLO CCc1noc(-c2ccc(C)c(NC(=O)NCCCCNc3cccc[nH+]3)c2)n1 ZINC000177163277 823387852 /nfs/dbraw/zinc/38/78/52/823387852.db2.gz ILUMUCKZLBIVCU-UHFFFAOYSA-N 1 2 394.479 4.016 20 0 GIADLO CC[C@H](c1nnc(SC[C@H](O)CC(F)(F)F)n1C1CCCCC1)[NH+](C)C ZINC000189319544 823393380 /nfs/dbraw/zinc/39/33/80/823393380.db2.gz VKDFDEJBLRSEPU-ZIAGYGMSSA-N 1 2 394.507 4.201 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=S)Nc2cccc(Br)c2)c1C ZINC000058466570 823395774 /nfs/dbraw/zinc/39/57/74/823395774.db2.gz DIHNSWKCIJYPSM-UHFFFAOYSA-N 1 2 394.338 4.298 20 0 GIADLO C[C@@H](NC(=O)N[C@H]1CCCc2c(O)cccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000189363167 823401067 /nfs/dbraw/zinc/40/10/67/823401067.db2.gz OYHIYTRKEKUVBO-QRWLVFNGSA-N 1 2 376.460 4.016 20 0 GIADLO C[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000410153489 823403395 /nfs/dbraw/zinc/40/33/95/823403395.db2.gz FJDRRHHJEZCHAY-AWEZNQCLSA-N 1 2 397.466 4.355 20 0 GIADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000572828666 823406296 /nfs/dbraw/zinc/40/62/96/823406296.db2.gz XADJQZHECCCXPV-JKIFEVAISA-N 1 2 393.560 4.376 20 0 GIADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000572828666 823406298 /nfs/dbraw/zinc/40/62/98/823406298.db2.gz XADJQZHECCCXPV-JKIFEVAISA-N 1 2 393.560 4.376 20 0 GIADLO Cc1ccc(CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)s1 ZINC000410176541 823411425 /nfs/dbraw/zinc/41/14/25/823411425.db2.gz LLYIFPUTNJXFFE-QGZVFWFLSA-N 1 2 395.931 4.485 20 0 GIADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2noc(-c3ccccc3)n2)CC1 ZINC000058563748 823410056 /nfs/dbraw/zinc/41/00/56/823410056.db2.gz LIQFCXCZQCXYGP-MRXNPFEDSA-N 1 2 382.895 4.269 20 0 GIADLO CCOc1ccc(-c2nc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cs2)cc1 ZINC000122826211 823419063 /nfs/dbraw/zinc/41/90/63/823419063.db2.gz YYBBKYCVARTSAB-BEFAXECRSA-N 1 2 396.516 4.129 20 0 GIADLO CC(=O)N1CC[NH+](Cc2ccccc2NCc2cc3cc(C)c(C)cc3o2)CC1 ZINC000189444857 823418164 /nfs/dbraw/zinc/41/81/64/823418164.db2.gz CXVGVAYOTLSGHR-UHFFFAOYSA-N 1 2 391.515 4.326 20 0 GIADLO CC(C)[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccc(F)cc1 ZINC000410209442 823420491 /nfs/dbraw/zinc/42/04/91/823420491.db2.gz VKBCTSBHIJGOGL-LAUBAEHRSA-N 1 2 384.499 4.006 20 0 GIADLO COc1ccccc1-c1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000058659701 823425862 /nfs/dbraw/zinc/42/58/62/823425862.db2.gz WMLCWEBLSJCQBA-UHFFFAOYSA-N 1 2 376.441 4.257 20 0 GIADLO CCN(Cc1ccccc1Br)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410245270 823432320 /nfs/dbraw/zinc/43/23/20/823432320.db2.gz AREKSOHMSSKFRD-UHFFFAOYSA-N 1 2 398.304 4.356 20 0 GIADLO Cc1[nH]c2ccccc2c1CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000024687762 819865341 /nfs/dbraw/zinc/86/53/41/819865341.db2.gz UJDSCNPRDQGUEA-CQSZACIVSA-N 1 2 382.533 4.346 20 0 GIADLO Cc1[nH]c2ccccc2c1CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000024687762 819865349 /nfs/dbraw/zinc/86/53/49/819865349.db2.gz UJDSCNPRDQGUEA-CQSZACIVSA-N 1 2 382.533 4.346 20 0 GIADLO Cc1cccc(C)c1OCCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410250665 823434264 /nfs/dbraw/zinc/43/42/64/823434264.db2.gz GIIGUSVQMDENOX-IBGZPJMESA-N 1 2 381.520 4.011 20 0 GIADLO CCCc1ccc(C(=O)CCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000024747089 819872121 /nfs/dbraw/zinc/87/21/21/819872121.db2.gz NWTALKRPLSLWCC-UHFFFAOYSA-N 1 2 389.499 4.163 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1(c2cccc(Cl)c2)CCC1 ZINC000024751853 819873551 /nfs/dbraw/zinc/87/35/51/819873551.db2.gz VTEOWSUFNJEEPN-UHFFFAOYSA-N 1 2 379.891 4.323 20 0 GIADLO COc1cc(C)c(C[N@H+](C)Cc2nnc(-c3ccccc3Cl)o2)cc1OC ZINC000024801354 819878325 /nfs/dbraw/zinc/87/83/25/819878325.db2.gz YRIACRDERXREBN-UHFFFAOYSA-N 1 2 387.867 4.348 20 0 GIADLO COc1cc(C)c(C[N@@H+](C)Cc2nnc(-c3ccccc3Cl)o2)cc1OC ZINC000024801354 819878337 /nfs/dbraw/zinc/87/83/37/819878337.db2.gz YRIACRDERXREBN-UHFFFAOYSA-N 1 2 387.867 4.348 20 0 GIADLO CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410253576 823435551 /nfs/dbraw/zinc/43/55/51/823435551.db2.gz CTLFETGKFNFESQ-NQIIRXRSSA-N 1 2 381.520 4.091 20 0 GIADLO CC[C@H](Oc1ccccc1C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410256118 823436136 /nfs/dbraw/zinc/43/61/36/823436136.db2.gz LNFPMOHCNQXBOS-ICSRJNTNSA-N 1 2 381.520 4.091 20 0 GIADLO O=C(c1ccc(OCC2CC2)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410259084 823437375 /nfs/dbraw/zinc/43/73/75/823437375.db2.gz ALKNQAVEXFJBRJ-IBGZPJMESA-N 1 2 379.504 4.028 20 0 GIADLO Cc1ccc(S[C@@H](C)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410259104 823437538 /nfs/dbraw/zinc/43/75/38/823437538.db2.gz AMJGFDOVCXHQTI-ZWKOTPCHSA-N 1 2 383.561 4.415 20 0 GIADLO O=C(C1CCC(C(F)(F)F)CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410259505 823437888 /nfs/dbraw/zinc/43/78/88/823437888.db2.gz BBLRPHPWLYPCHF-HWOWSKLDSA-N 1 2 383.458 4.294 20 0 GIADLO CCSCc1ccccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410263463 823439358 /nfs/dbraw/zinc/43/93/58/823439358.db2.gz HHYGBKKNWGUARF-KRWDZBQOSA-N 1 2 383.561 4.492 20 0 GIADLO O=C(c1ccc(SC2CC2)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410267017 823441133 /nfs/dbraw/zinc/44/11/33/823441133.db2.gz FHWXVMWCEOLFLX-QGZVFWFLSA-N 1 2 381.545 4.494 20 0 GIADLO C[C@@]1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCc2ccccc2C1 ZINC000410267897 823441658 /nfs/dbraw/zinc/44/16/58/823441658.db2.gz IJKBIPQDDRNZAH-GBXCKJPGSA-N 1 2 377.532 4.121 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C(F)F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189547805 823441773 /nfs/dbraw/zinc/44/17/73/823441773.db2.gz HREYOTZYQGCPBK-IRXDYDNUSA-N 1 2 381.373 4.469 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C(F)F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189547805 823441775 /nfs/dbraw/zinc/44/17/75/823441775.db2.gz HREYOTZYQGCPBK-IRXDYDNUSA-N 1 2 381.373 4.469 20 0 GIADLO O=C(c1cccc([C@H]2CCCOC2)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410268752 823442289 /nfs/dbraw/zinc/44/22/89/823442289.db2.gz LYBCGRMPVJKGDF-RTWAWAEBSA-N 1 2 393.531 4.133 20 0 GIADLO COc1cccc(C[N@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 ZINC000025380804 819973015 /nfs/dbraw/zinc/97/30/15/819973015.db2.gz BXAJEUVYTXGHPW-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO COc1cccc(C[N@@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 ZINC000025380804 819973022 /nfs/dbraw/zinc/97/30/22/819973022.db2.gz BXAJEUVYTXGHPW-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO C[C@@]1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCc2ccccc21 ZINC000410271734 823443588 /nfs/dbraw/zinc/44/35/88/823443588.db2.gz KFIJVXQROARVCF-NTKDMRAZSA-N 1 2 377.532 4.220 20 0 GIADLO CC(C)(C)c1ccccc1OCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410275129 823444763 /nfs/dbraw/zinc/44/47/63/823444763.db2.gz WUWDHYBRLKCNPM-GOSISDBHSA-N 1 2 395.547 4.302 20 0 GIADLO CC(C)(C)c1ccccc1OCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410275130 823444875 /nfs/dbraw/zinc/44/48/75/823444875.db2.gz WUWDHYBRLKCNPM-SFHVURJKSA-N 1 2 395.547 4.302 20 0 GIADLO CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1cccc(F)c1 ZINC000025801038 820025777 /nfs/dbraw/zinc/02/57/77/820025777.db2.gz JFDFZMDFAZFABZ-LJQANCHMSA-N 1 2 395.434 4.212 20 0 GIADLO CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1cccc(F)c1 ZINC000025801038 820025790 /nfs/dbraw/zinc/02/57/90/820025790.db2.gz JFDFZMDFAZFABZ-LJQANCHMSA-N 1 2 395.434 4.212 20 0 GIADLO Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000025922000 820039616 /nfs/dbraw/zinc/03/96/16/820039616.db2.gz LFEXYAOKYCUPJN-SFHVURJKSA-N 1 2 377.444 4.153 20 0 GIADLO Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000025922000 820039624 /nfs/dbraw/zinc/03/96/24/820039624.db2.gz LFEXYAOKYCUPJN-SFHVURJKSA-N 1 2 377.444 4.153 20 0 GIADLO O=c1[nH]c(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)nc2ccc(Cl)cc12 ZINC000025937399 820042549 /nfs/dbraw/zinc/04/25/49/820042549.db2.gz MAEPJFXQGYOMLI-UHFFFAOYSA-N 1 2 397.906 4.127 20 0 GIADLO O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410286829 823449827 /nfs/dbraw/zinc/44/98/27/823449827.db2.gz BFSWNMNPEWPMIE-MRXNPFEDSA-N 1 2 391.437 4.187 20 0 GIADLO CCCCOc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000026216159 820070298 /nfs/dbraw/zinc/07/02/98/820070298.db2.gz LSUSGBLCPNUJSS-UHFFFAOYSA-N 1 2 377.488 4.083 20 0 GIADLO COc1ccc(-c2cc(C[NH+]3CCN(Cc4ccc(Cl)cc4)CC3)on2)cc1 ZINC000026244332 820074124 /nfs/dbraw/zinc/07/41/24/820074124.db2.gz ZZYVUMOZHIQHOA-UHFFFAOYSA-N 1 2 397.906 4.321 20 0 GIADLO O=C(Cc1cccc(Cl)c1Cl)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410290402 823451315 /nfs/dbraw/zinc/45/13/15/823451315.db2.gz RLEKRKKSOAUGIN-OAHLLOKOSA-N 1 2 392.330 4.475 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)ccc1OC(F)F ZINC000026454065 820100249 /nfs/dbraw/zinc/10/02/49/820100249.db2.gz PNIMVAOKGZVTQJ-UHFFFAOYSA-N 1 2 392.446 4.374 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)ccc1OC(F)F ZINC000026454065 820100253 /nfs/dbraw/zinc/10/02/53/820100253.db2.gz PNIMVAOKGZVTQJ-UHFFFAOYSA-N 1 2 392.446 4.374 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C)CC1 ZINC000026469611 820100880 /nfs/dbraw/zinc/10/08/80/820100880.db2.gz CJGOPHZNYPFOMZ-IBGZPJMESA-N 1 2 379.548 4.269 20 0 GIADLO CC(C)c1nnc2n1CC[N@@H+](CCCc1ccccc1Br)[C@H]2C ZINC000189591512 823453952 /nfs/dbraw/zinc/45/39/52/823453952.db2.gz KBUDWMAZIXYATH-AWEZNQCLSA-N 1 2 377.330 4.173 20 0 GIADLO CC(C)c1nnc2n1CC[N@H+](CCCc1ccccc1Br)[C@H]2C ZINC000189591512 823453955 /nfs/dbraw/zinc/45/39/55/823453955.db2.gz KBUDWMAZIXYATH-AWEZNQCLSA-N 1 2 377.330 4.173 20 0 GIADLO CC(=O)Nc1cccc(Nc2nn(C[N@H+]3CCC[C@H](C)C3)c(=S)s2)c1 ZINC000026551858 820112401 /nfs/dbraw/zinc/11/24/01/820112401.db2.gz VYYAMKJJTOJWBR-LBPRGKRZSA-N 1 2 377.539 4.065 20 0 GIADLO CC(=O)Nc1cccc(Nc2nn(C[N@@H+]3CCC[C@H](C)C3)c(=S)s2)c1 ZINC000026551858 820112407 /nfs/dbraw/zinc/11/24/07/820112407.db2.gz VYYAMKJJTOJWBR-LBPRGKRZSA-N 1 2 377.539 4.065 20 0 GIADLO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000026640046 820126343 /nfs/dbraw/zinc/12/63/43/820126343.db2.gz RRKSWPIPMHYXMX-SFHVURJKSA-N 1 2 394.515 4.234 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccc4c(c3)CCC4)CC2)c(C)c1 ZINC000026639797 820126520 /nfs/dbraw/zinc/12/65/20/820126520.db2.gz ZQIQRTXFGHRSNX-UHFFFAOYSA-N 1 2 390.527 4.326 20 0 GIADLO Cn1c(=S)n(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)nc1-c1cccnc1 ZINC000026690184 820132587 /nfs/dbraw/zinc/13/25/87/820132587.db2.gz CMSBTFGWAVGORT-UHFFFAOYSA-N 1 2 383.565 4.119 20 0 GIADLO Cn1c(=S)n(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)nc1-c1cccnc1 ZINC000026690184 820132595 /nfs/dbraw/zinc/13/25/95/820132595.db2.gz CMSBTFGWAVGORT-UHFFFAOYSA-N 1 2 383.565 4.119 20 0 GIADLO C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccc(Br)s1 ZINC000026814793 820148385 /nfs/dbraw/zinc/14/83/85/820148385.db2.gz GCMVXWYYZJPCOC-GOSISDBHSA-N 1 2 393.350 4.210 20 0 GIADLO C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccc(Br)s1 ZINC000026814793 820148389 /nfs/dbraw/zinc/14/83/89/820148389.db2.gz GCMVXWYYZJPCOC-GOSISDBHSA-N 1 2 393.350 4.210 20 0 GIADLO c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000026904102 820161091 /nfs/dbraw/zinc/16/10/91/820161091.db2.gz IXGHTEDNVFCWJE-FQEVSTJZSA-N 1 2 375.472 4.040 20 0 GIADLO c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000026904102 820161094 /nfs/dbraw/zinc/16/10/94/820161094.db2.gz IXGHTEDNVFCWJE-FQEVSTJZSA-N 1 2 375.472 4.040 20 0 GIADLO O=C(Nc1cccc(-c2cnco2)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058819837 823458495 /nfs/dbraw/zinc/45/84/95/823458495.db2.gz VYHJIWPXDPNELQ-HXUWFJFHSA-N 1 2 379.485 4.070 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1csc(Br)c1 ZINC000410312506 823460113 /nfs/dbraw/zinc/46/01/13/823460113.db2.gz DHZRCBICAARNJD-UHFFFAOYSA-N 1 2 394.338 4.216 20 0 GIADLO CC(C)OCc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000410318341 823461363 /nfs/dbraw/zinc/46/13/63/823461363.db2.gz WJLPJIOUBOMOBS-UHFFFAOYSA-N 1 2 381.520 4.317 20 0 GIADLO O=C(N[C@@H]1CCc2c1cccc2Cl)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058848630 823462054 /nfs/dbraw/zinc/46/20/54/823462054.db2.gz QNJFIRPSBIDCDS-WOJBJXKFSA-N 1 2 386.948 4.234 20 0 GIADLO CCc1cccc(CC)c1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000058854900 823462335 /nfs/dbraw/zinc/46/23/35/823462335.db2.gz HEACNAWUROIDEB-UHFFFAOYSA-N 1 2 381.520 4.040 20 0 GIADLO CCOc1cccc(S(=O)(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000410324536 823463370 /nfs/dbraw/zinc/46/33/70/823463370.db2.gz COXHQWPLBKNJMS-UHFFFAOYSA-N 1 2 399.516 4.254 20 0 GIADLO Cc1ccc(C(C)C)c(OCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000027471469 820248849 /nfs/dbraw/zinc/24/88/49/820248849.db2.gz HIMKMDYCXVPSDI-UHFFFAOYSA-N 1 2 391.515 4.101 20 0 GIADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027474471 820249614 /nfs/dbraw/zinc/24/96/14/820249614.db2.gz UKWMHHDAGOPIQF-MRXNPFEDSA-N 1 2 399.947 4.424 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc(C2CC2)nc2ccccc21 ZINC000027478317 820250052 /nfs/dbraw/zinc/25/00/52/820250052.db2.gz XPJRZTWASAQTCN-UHFFFAOYSA-N 1 2 396.494 4.330 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@H+](C)Cc1cnn(C)c1 ZINC000027539551 820257921 /nfs/dbraw/zinc/25/79/21/820257921.db2.gz YZZJYXVLPTVSBI-MRXNPFEDSA-N 1 2 380.517 4.030 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000027539551 820257928 /nfs/dbraw/zinc/25/79/28/820257928.db2.gz YZZJYXVLPTVSBI-MRXNPFEDSA-N 1 2 380.517 4.030 20 0 GIADLO C[C@@H](CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)n1cc[nH+]c1 ZINC000573210648 823466003 /nfs/dbraw/zinc/46/60/03/823466003.db2.gz QEVLEBVNPPTJHA-HZMBPMFUSA-N 1 2 379.304 4.273 20 0 GIADLO C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000573252756 823471172 /nfs/dbraw/zinc/47/11/72/823471172.db2.gz HBRIGBONVYIIPO-RDJZCZTQSA-N 1 2 379.435 4.254 20 0 GIADLO C[C@H]1CCN(C(=O)CCCOc2cccc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000123128876 823466956 /nfs/dbraw/zinc/46/69/56/823466956.db2.gz CGLJOXAVICZQDK-GHTZIAJQSA-N 1 2 377.488 4.305 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000573216951 823467108 /nfs/dbraw/zinc/46/71/08/823467108.db2.gz RVLIBDQOGCZOAR-OAHLLOKOSA-N 1 2 390.281 4.146 20 0 GIADLO COc1ccc2c(c1)C[N@@H+](CCCS(=O)(=O)C(C)C)[C@H](c1ccccc1)C2 ZINC000177461107 823467746 /nfs/dbraw/zinc/46/77/46/823467746.db2.gz OMPNIDINHKVWKL-QFIPXVFZSA-N 1 2 387.545 4.008 20 0 GIADLO COc1ccc2c(c1)C[N@H+](CCCS(=O)(=O)C(C)C)[C@H](c1ccccc1)C2 ZINC000177461107 823467750 /nfs/dbraw/zinc/46/77/50/823467750.db2.gz OMPNIDINHKVWKL-QFIPXVFZSA-N 1 2 387.545 4.008 20 0 GIADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)cc1 ZINC000028322785 820324791 /nfs/dbraw/zinc/32/47/91/820324791.db2.gz ACCYZSKZPHJWTF-UHFFFAOYSA-N 1 2 391.437 4.182 20 0 GIADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000028682750 820350104 /nfs/dbraw/zinc/35/01/04/820350104.db2.gz VSHOOAITOXIBGC-UONOGXRCSA-N 1 2 393.940 4.434 20 0 GIADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000028682750 820350115 /nfs/dbraw/zinc/35/01/15/820350115.db2.gz VSHOOAITOXIBGC-UONOGXRCSA-N 1 2 393.940 4.434 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc4c(c(Cl)c3)OCO4)n2)C1 ZINC000028683729 820350897 /nfs/dbraw/zinc/35/08/97/820350897.db2.gz PQJCOYYMQQWJPK-LLVKDONJSA-N 1 2 393.896 4.009 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc4c(c(Cl)c3)OCO4)n2)C1 ZINC000028683729 820350909 /nfs/dbraw/zinc/35/09/09/820350909.db2.gz PQJCOYYMQQWJPK-LLVKDONJSA-N 1 2 393.896 4.009 20 0 GIADLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000028989323 820380501 /nfs/dbraw/zinc/38/05/01/820380501.db2.gz NYFZXNYXSHDAEU-UHFFFAOYSA-N 1 2 393.409 4.243 20 0 GIADLO CC(C)c1noc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000029136983 820396978 /nfs/dbraw/zinc/39/69/78/820396978.db2.gz VWZYMINCNWOPDB-UHFFFAOYSA-N 1 2 398.536 4.052 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)C[C@H]1n1cc[nH+]c1 ZINC000123188545 823476338 /nfs/dbraw/zinc/47/63/38/823476338.db2.gz PLYSHMISGBGZRN-GDBMZVCRSA-N 1 2 392.484 4.476 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2sc(-c3ccc(C)o3)nc2C)c1C ZINC000058958799 823476366 /nfs/dbraw/zinc/47/63/66/823476366.db2.gz IUPOTRQFMONVEM-UHFFFAOYSA-N 1 2 385.489 4.313 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CSc2nc3ccccc3s2)c1C ZINC000058958378 823476404 /nfs/dbraw/zinc/47/64/04/823476404.db2.gz DBZQRPHIENIJKK-UHFFFAOYSA-N 1 2 387.530 4.067 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2sccc2-n2c(C)ccc2C)c1C ZINC000058958861 823476409 /nfs/dbraw/zinc/47/64/09/823476409.db2.gz LSQMFVYWIJJZAK-UHFFFAOYSA-N 1 2 383.517 4.448 20 0 GIADLO CC(C)C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000058975834 823477909 /nfs/dbraw/zinc/47/79/09/823477909.db2.gz LZOZMGIGFXXSSO-OAQYLSRUSA-N 1 2 387.487 4.325 20 0 GIADLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)s2)c(C)c1 ZINC000029346919 820441231 /nfs/dbraw/zinc/44/12/31/820441231.db2.gz ZUSUUZXSXOAWLB-ZDUSSCGKSA-N 1 2 379.913 4.187 20 0 GIADLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)s2)c(C)c1 ZINC000029346919 820441238 /nfs/dbraw/zinc/44/12/38/820441238.db2.gz ZUSUUZXSXOAWLB-ZDUSSCGKSA-N 1 2 379.913 4.187 20 0 GIADLO C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(-c2cccnc2)cc1 ZINC000177524467 823481884 /nfs/dbraw/zinc/48/18/84/823481884.db2.gz FXVRSEKCXJFQOJ-KRWDZBQOSA-N 1 2 375.476 4.006 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)c1nnnn1C1CCCCC1 ZINC000189736358 823484521 /nfs/dbraw/zinc/48/45/21/823484521.db2.gz MTDIBXQWZWYXJM-CHWSQXEVSA-N 1 2 378.318 4.353 20 0 GIADLO CC(C)CN(Cc1ccccc1F)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000573373149 823486024 /nfs/dbraw/zinc/48/60/24/823486024.db2.gz NYFNEGKJHRNRNZ-UHFFFAOYSA-N 1 2 379.479 4.298 20 0 GIADLO O=C(CCOc1cccc(Br)c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029951210 820555966 /nfs/dbraw/zinc/55/59/66/820555966.db2.gz HLYNJEFNXCAUMX-UHFFFAOYSA-N 1 2 386.249 4.042 20 0 GIADLO O=C(Nc1ccc(F)cc1)c1nnc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)s1 ZINC000029971942 820558606 /nfs/dbraw/zinc/55/86/06/820558606.db2.gz OWRWUBACZWSVOD-SFHVURJKSA-N 1 2 396.491 4.137 20 0 GIADLO O=C(Nc1ccc(F)cc1)c1nnc(C[N@H+]2CCC[C@H]2Cc2ccccc2)s1 ZINC000029971942 820558610 /nfs/dbraw/zinc/55/86/10/820558610.db2.gz OWRWUBACZWSVOD-SFHVURJKSA-N 1 2 396.491 4.137 20 0 GIADLO Cc1nc(-c2ccccc2)c(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)s1 ZINC000030019566 820570204 /nfs/dbraw/zinc/57/02/04/820570204.db2.gz NBYKGKWKBGFUJY-UHFFFAOYSA-N 1 2 391.540 4.385 20 0 GIADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)NCC2(c3ccccc3)CC2)C2CC2)o1 ZINC000030152994 820579829 /nfs/dbraw/zinc/57/98/29/820579829.db2.gz HQEYQDZIVGEZQO-DYESRHJHSA-N 1 2 378.516 4.215 20 0 GIADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)NCC2(c3ccccc3)CC2)C2CC2)o1 ZINC000030152994 820579833 /nfs/dbraw/zinc/57/98/33/820579833.db2.gz HQEYQDZIVGEZQO-DYESRHJHSA-N 1 2 378.516 4.215 20 0 GIADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)NCC2(c3ccccc3)CC2)C2CC2)o1 ZINC000030152995 820579962 /nfs/dbraw/zinc/57/99/62/820579962.db2.gz HQEYQDZIVGEZQO-LAUBAEHRSA-N 1 2 378.516 4.215 20 0 GIADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)NCC2(c3ccccc3)CC2)C2CC2)o1 ZINC000030152995 820579969 /nfs/dbraw/zinc/57/99/69/820579969.db2.gz HQEYQDZIVGEZQO-LAUBAEHRSA-N 1 2 378.516 4.215 20 0 GIADLO Cc1ccoc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181298 820585134 /nfs/dbraw/zinc/58/51/34/820585134.db2.gz JQVKDPRSXJIJNS-UHFFFAOYSA-N 1 2 384.476 4.414 20 0 GIADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)n1C ZINC000030181267 820585229 /nfs/dbraw/zinc/58/52/29/820585229.db2.gz IXHYAGLHNQMVDM-UHFFFAOYSA-N 1 2 397.519 4.159 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000030218045 820588213 /nfs/dbraw/zinc/58/82/13/820588213.db2.gz PPGLFEMPCDAHMC-LLVKDONJSA-N 1 2 385.689 4.463 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030218045 820588217 /nfs/dbraw/zinc/58/82/17/820588217.db2.gz PPGLFEMPCDAHMC-LLVKDONJSA-N 1 2 385.689 4.463 20 0 GIADLO COc1cccc([C@H]([NH2+]Cc2cnn(C(C)C)c2)c2cc(F)ccc2OC)c1 ZINC000177562443 823491749 /nfs/dbraw/zinc/49/17/49/823491749.db2.gz MPGFDBQQVGTELE-QFIPXVFZSA-N 1 2 383.467 4.500 20 0 GIADLO CCn1nc(C)c(CNc2cc[nH+]c3c(Br)ccc(F)c23)c1C ZINC000573430091 823492172 /nfs/dbraw/zinc/49/21/72/823492172.db2.gz APQSIQXFPMQPMS-UHFFFAOYSA-N 1 2 377.261 4.004 20 0 GIADLO O=C(CCc1ccc(OC(F)F)cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000030582864 820644955 /nfs/dbraw/zinc/64/49/55/820644955.db2.gz HSCTZNKNBZUQPF-UHFFFAOYSA-N 1 2 395.475 4.302 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(Cl)nc(Cl)c3)n2)C1 ZINC000030580814 820645028 /nfs/dbraw/zinc/64/50/28/820645028.db2.gz DGGMRLMXVVCNGQ-JTQLQIEISA-N 1 2 385.320 4.329 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(Cl)nc(Cl)c3)n2)C1 ZINC000030580814 820645032 /nfs/dbraw/zinc/64/50/32/820645032.db2.gz DGGMRLMXVVCNGQ-JTQLQIEISA-N 1 2 385.320 4.329 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OCc2cscn2)c1 ZINC000030608832 820649562 /nfs/dbraw/zinc/64/95/62/820649562.db2.gz MBGQSTSDZSBAQV-UHFFFAOYSA-N 1 2 376.441 4.160 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1c2ccccc2Oc2ccccc21 ZINC000030656942 820660027 /nfs/dbraw/zinc/66/00/27/820660027.db2.gz YWFGTILNDDQTOW-UHFFFAOYSA-N 1 2 395.462 4.485 20 0 GIADLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(OC)c1OC ZINC000123322836 823496134 /nfs/dbraw/zinc/49/61/34/823496134.db2.gz QRLRUUKRRDBGOB-UHFFFAOYSA-N 1 2 396.409 4.183 20 0 GIADLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(OC)c1OC ZINC000123322836 823496136 /nfs/dbraw/zinc/49/61/36/823496136.db2.gz QRLRUUKRRDBGOB-UHFFFAOYSA-N 1 2 396.409 4.183 20 0 GIADLO CCOc1ccc(CN(C)C(=O)C[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cc1 ZINC000030970253 820713015 /nfs/dbraw/zinc/71/30/15/820713015.db2.gz BRJDTGOXRMUNDK-JTSKRJEESA-N 1 2 396.531 4.425 20 0 GIADLO CCOc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cc1 ZINC000030970253 820713026 /nfs/dbraw/zinc/71/30/26/820713026.db2.gz BRJDTGOXRMUNDK-JTSKRJEESA-N 1 2 396.531 4.425 20 0 GIADLO CC[N@H+](Cc1csc(CC(=O)NC)n1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000177601083 823499406 /nfs/dbraw/zinc/49/94/06/823499406.db2.gz IKBXXGDVOLGXRX-QFIPXVFZSA-N 1 2 397.519 4.182 20 0 GIADLO CC[N@@H+](Cc1csc(CC(=O)NC)n1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000177601083 823499412 /nfs/dbraw/zinc/49/94/12/823499412.db2.gz IKBXXGDVOLGXRX-QFIPXVFZSA-N 1 2 397.519 4.182 20 0 GIADLO COc1ccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031092540 820738284 /nfs/dbraw/zinc/73/82/84/820738284.db2.gz POZPUNQTARPMHX-SFHVURJKSA-N 1 2 391.874 4.446 20 0 GIADLO Cc1cccc2nc(C3CC[NH+](CC(=O)Nc4cc(F)ccc4F)CC3)oc21 ZINC000189815875 823500959 /nfs/dbraw/zinc/50/09/59/823500959.db2.gz JVXDWCKMWDGAIV-UHFFFAOYSA-N 1 2 385.414 4.233 20 0 GIADLO CCCCOc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OCC ZINC000123380962 823503473 /nfs/dbraw/zinc/50/34/73/823503473.db2.gz XMXNKAKSFXPUAX-PKOBYXMFSA-N 1 2 385.508 4.184 20 0 GIADLO O=C(Nc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccsc1 ZINC000123439309 823509193 /nfs/dbraw/zinc/50/91/93/823509193.db2.gz BTOLZYXKXMOCLR-UHFFFAOYSA-N 1 2 388.452 4.438 20 0 GIADLO O=C(CCc1cccs1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031894953 820871811 /nfs/dbraw/zinc/87/18/11/820871811.db2.gz TWJNWHVISVGHMD-KRWDZBQOSA-N 1 2 380.916 4.427 20 0 GIADLO CCOc1ccccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895749 820871853 /nfs/dbraw/zinc/87/18/53/820871853.db2.gz YATXGMGBKCCTKF-SFHVURJKSA-N 1 2 390.886 4.445 20 0 GIADLO COc1ccc2ccc(OC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2c1 ZINC000032049618 820891858 /nfs/dbraw/zinc/89/18/58/820891858.db2.gz QVNAEIDWMXLJHO-UHFFFAOYSA-N 1 2 389.367 4.162 20 0 GIADLO CCC(CC)[C@@H](C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000460808360 823518203 /nfs/dbraw/zinc/51/82/03/823518203.db2.gz AVKOKPJQCJYOAK-KSSFIOAISA-N 1 2 386.458 4.020 20 0 GIADLO C[C@H](c1nnc(SCc2nc3ccccc3o2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000032568486 820969705 /nfs/dbraw/zinc/96/97/05/820969705.db2.gz OBRTULJZFVCPEA-CYBMUJFWSA-N 1 2 397.479 4.463 20 0 GIADLO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C ZINC000177735813 823518596 /nfs/dbraw/zinc/51/85/96/823518596.db2.gz JXJLADYGVVDTBN-QZTJIDSGSA-N 1 2 379.570 4.074 20 0 GIADLO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C ZINC000177735813 823518599 /nfs/dbraw/zinc/51/85/99/823518599.db2.gz JXJLADYGVVDTBN-QZTJIDSGSA-N 1 2 379.570 4.074 20 0 GIADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(-c3cccc(Br)c3)c[nH]1)CO2 ZINC000123584365 823523772 /nfs/dbraw/zinc/52/37/72/823523772.db2.gz SATKNTDPIPPLOX-QGZVFWFLSA-N 1 2 384.277 4.371 20 0 GIADLO C[N@H+](Cn1ncn(CCc2ccccn2)c1=S)[C@H]1CCCc2ccccc21 ZINC000060381869 823522014 /nfs/dbraw/zinc/52/20/14/823522014.db2.gz MQTFJDUMIMAGTB-FQEVSTJZSA-N 1 2 379.533 4.019 20 0 GIADLO C[N@@H+](Cn1ncn(CCc2ccccn2)c1=S)[C@H]1CCCc2ccccc21 ZINC000060381869 823522018 /nfs/dbraw/zinc/52/20/18/823522018.db2.gz MQTFJDUMIMAGTB-FQEVSTJZSA-N 1 2 379.533 4.019 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000177761822 823522085 /nfs/dbraw/zinc/52/20/85/823522085.db2.gz RAFDODPYKWUFSF-UHFFFAOYSA-N 1 2 380.467 4.170 20 0 GIADLO C[C@H]1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000123631021 823527652 /nfs/dbraw/zinc/52/76/52/823527652.db2.gz WYKNDLRTYKMBGG-GUYCJALGSA-N 1 2 386.908 4.383 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Cc1ccc(F)cc1 ZINC000060442379 823528454 /nfs/dbraw/zinc/52/84/54/823528454.db2.gz JYBVHYRAKZEKES-UHFFFAOYSA-N 1 2 395.478 4.083 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CC2CC2)n1CC(C)C ZINC000460853241 823528944 /nfs/dbraw/zinc/52/89/44/823528944.db2.gz FWWBKQXFYJYQRU-UHFFFAOYSA-N 1 2 396.583 4.025 20 0 GIADLO Cc1ccc(NC(=O)Cc2nc(C[N@H+](C)CCOc3ccccc3)cs2)cc1 ZINC000038306547 821095068 /nfs/dbraw/zinc/09/50/68/821095068.db2.gz MCJZOCJQXUJION-UHFFFAOYSA-N 1 2 395.528 4.144 20 0 GIADLO Cc1ccc(NC(=O)Cc2nc(C[N@@H+](C)CCOc3ccccc3)cs2)cc1 ZINC000038306547 821095075 /nfs/dbraw/zinc/09/50/75/821095075.db2.gz MCJZOCJQXUJION-UHFFFAOYSA-N 1 2 395.528 4.144 20 0 GIADLO COc1ccc2oc(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)c(C)c2c1 ZINC000038240451 821095381 /nfs/dbraw/zinc/09/53/81/821095381.db2.gz SQZANCDTYKVAEP-UHFFFAOYSA-N 1 2 378.472 4.016 20 0 GIADLO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000190040746 823529729 /nfs/dbraw/zinc/52/97/29/823529729.db2.gz YHRFQSSXHBCEQE-GFCCVEGCSA-N 1 2 381.386 4.256 20 0 GIADLO c1nc(CN2CC[NH+](Cc3ccccc3OCc3ccccc3)CC2)cs1 ZINC000039199836 821103968 /nfs/dbraw/zinc/10/39/68/821103968.db2.gz VCCFAVRLKXNBCN-UHFFFAOYSA-N 1 2 379.529 4.040 20 0 GIADLO Cc1ccc(CCN(Cc2ccco2)C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177788912 823526426 /nfs/dbraw/zinc/52/64/26/823526426.db2.gz GMRCTBMNOJWMJC-UHFFFAOYSA-N 1 2 388.471 4.190 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000177794292 823526910 /nfs/dbraw/zinc/52/69/10/823526910.db2.gz SZJKECXIOWAPQM-UHFFFAOYSA-N 1 2 384.430 4.267 20 0 GIADLO CCC(CC)[C@@H](C(=O)Nc1ccc(-c2nc(C)cs2)cc1)[NH+]1CCOCC1 ZINC000460865793 823531981 /nfs/dbraw/zinc/53/19/81/823531981.db2.gz UYGMMIGGKTUNSY-IBGZPJMESA-N 1 2 387.549 4.194 20 0 GIADLO CC(C)c1c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1ccc(F)cc1 ZINC000123693743 823532215 /nfs/dbraw/zinc/53/22/15/823532215.db2.gz BAWIDUBOAYMEEF-UZLBHIALSA-N 1 2 395.482 4.055 20 0 GIADLO CCOC1CC[NH+](CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC000060484003 823533409 /nfs/dbraw/zinc/53/34/09/823533409.db2.gz HSACSGWLHYJWMM-UHFFFAOYSA-N 1 2 393.940 4.211 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCSc4ccccc43)CC2)c1 ZINC000460879420 823534992 /nfs/dbraw/zinc/53/49/92/823534992.db2.gz XHLXRYUPMIYHRL-UWJYYQICSA-N 1 2 396.556 4.180 20 0 GIADLO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccccc1 ZINC000060511370 823536505 /nfs/dbraw/zinc/53/65/05/823536505.db2.gz CEOZOENSMZMNRN-HXUWFJFHSA-N 1 2 378.403 4.024 20 0 GIADLO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000123742055 823536612 /nfs/dbraw/zinc/53/66/12/823536612.db2.gz RNCGELVUNIRYGT-UGKGYDQZSA-N 1 2 388.515 4.327 20 0 GIADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC000460913003 823540952 /nfs/dbraw/zinc/54/09/52/823540952.db2.gz VQJOYHXAKUXWGP-UHFFFAOYSA-N 1 2 386.411 4.095 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCCSc2ccc(F)cc2)c1C ZINC000060531102 823539038 /nfs/dbraw/zinc/53/90/38/823539038.db2.gz VCORNHRAUVFHOY-UHFFFAOYSA-N 1 2 391.512 4.170 20 0 GIADLO O=C(CSc1nc2ccccc2o1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000042051185 821258203 /nfs/dbraw/zinc/25/82/03/821258203.db2.gz WTFCGOCAAAPZNX-UHFFFAOYSA-N 1 2 388.518 4.001 20 0 GIADLO Cc1ccc(-c2nc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cs2)c(C)c1 ZINC000123777007 823539802 /nfs/dbraw/zinc/53/98/02/823539802.db2.gz RLSZKPSUSRPNOY-BEFAXECRSA-N 1 2 380.517 4.347 20 0 GIADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132477 821271778 /nfs/dbraw/zinc/27/17/78/821271778.db2.gz RJLKRXJKUPGZTD-WBVHZDCISA-N 1 2 391.471 4.237 20 0 GIADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132477 821271785 /nfs/dbraw/zinc/27/17/85/821271785.db2.gz RJLKRXJKUPGZTD-WBVHZDCISA-N 1 2 391.471 4.237 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)o2)c(C)c1 ZINC000042146532 821274387 /nfs/dbraw/zinc/27/43/87/821274387.db2.gz SIUXHFAUYZLGFU-CQSZACIVSA-N 1 2 379.298 4.426 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)o2)c(C)c1 ZINC000042146532 821274397 /nfs/dbraw/zinc/27/43/97/821274397.db2.gz SIUXHFAUYZLGFU-CQSZACIVSA-N 1 2 379.298 4.426 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCCc2ccccc2)C[C@H](C)O1 ZINC000042997891 821353434 /nfs/dbraw/zinc/35/34/34/821353434.db2.gz MEZWGSAVSFJYPT-KDURUIRLSA-N 1 2 381.520 4.050 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCCc2ccccc2)C[C@H](C)O1 ZINC000042997891 821353445 /nfs/dbraw/zinc/35/34/45/821353445.db2.gz MEZWGSAVSFJYPT-KDURUIRLSA-N 1 2 381.520 4.050 20 0 GIADLO O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000043050423 821357069 /nfs/dbraw/zinc/35/70/69/821357069.db2.gz JUXIWKFIDNQRAQ-UHFFFAOYSA-N 1 2 388.402 4.129 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(SC(F)F)cc1 ZINC000043118809 821364137 /nfs/dbraw/zinc/36/41/37/821364137.db2.gz AOYMMUNCUAPRCA-UHFFFAOYSA-N 1 2 378.448 4.318 20 0 GIADLO CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccc2c(c1)OCCO2 ZINC000180635172 821376935 /nfs/dbraw/zinc/37/69/35/821376935.db2.gz NSFYGDATHOPIAU-MRXNPFEDSA-N 1 2 385.851 4.402 20 0 GIADLO CC[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccc2c(c1)OCCO2 ZINC000180643224 821379822 /nfs/dbraw/zinc/37/98/22/821379822.db2.gz MFXLEMUEIMFRGN-INIZCTEOSA-N 1 2 385.851 4.402 20 0 GIADLO COC(=O)CC[C@H]([NH2+][C@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000180671749 821390019 /nfs/dbraw/zinc/39/00/19/821390019.db2.gz FJHSANKCWVPNFP-YPMHNXCESA-N 1 2 383.311 4.251 20 0 GIADLO CC(=O)Nc1nc(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC000180696147 821399503 /nfs/dbraw/zinc/39/95/03/821399503.db2.gz IZXVXIANDHTFQU-UHFFFAOYSA-N 1 2 383.439 4.500 20 0 GIADLO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H](c2ccco2)c2ccccc2)C1 ZINC000180708396 821408981 /nfs/dbraw/zinc/40/89/81/821408981.db2.gz RJAFEQZLAWYTHJ-FQEVSTJZSA-N 1 2 399.487 4.011 20 0 GIADLO O=C(NCc1nc2ccccc2s1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043500430 821419556 /nfs/dbraw/zinc/41/95/56/821419556.db2.gz GDVFOKKRSDZGSM-UHFFFAOYSA-N 1 2 387.534 4.060 20 0 GIADLO CN(Cc1ccc(F)cc1F)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043516849 821420783 /nfs/dbraw/zinc/42/07/83/821420783.db2.gz TWZXQTMSEMZEKA-UHFFFAOYSA-N 1 2 380.464 4.071 20 0 GIADLO C[C@@H](CCc1ccco1)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000043547292 821424498 /nfs/dbraw/zinc/42/44/98/821424498.db2.gz ORBPNFIJKJCAAB-GJZGRUSLSA-N 1 2 376.526 4.111 20 0 GIADLO C[C@@H](CCc1ccco1)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000043547292 821424503 /nfs/dbraw/zinc/42/45/03/821424503.db2.gz ORBPNFIJKJCAAB-GJZGRUSLSA-N 1 2 376.526 4.111 20 0 GIADLO COCc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000180749687 821433153 /nfs/dbraw/zinc/43/31/53/821433153.db2.gz ODBDYRHIMGMZDW-HKUYNNGSSA-N 1 2 394.874 4.172 20 0 GIADLO COCc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000180749687 821433159 /nfs/dbraw/zinc/43/31/59/821433159.db2.gz ODBDYRHIMGMZDW-HKUYNNGSSA-N 1 2 394.874 4.172 20 0 GIADLO Cc1ccc(OC(F)F)c(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180752686 821434638 /nfs/dbraw/zinc/43/46/38/821434638.db2.gz IVNBBWRYIJIJRM-IBGZPJMESA-N 1 2 375.394 4.348 20 0 GIADLO CCC(CC)n1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000180804879 821467907 /nfs/dbraw/zinc/46/79/07/821467907.db2.gz NLDFKTUHFJMSSJ-UYAOXDASSA-N 1 2 390.478 4.006 20 0 GIADLO CCC(CC)n1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000180804879 821467913 /nfs/dbraw/zinc/46/79/13/821467913.db2.gz NLDFKTUHFJMSSJ-UYAOXDASSA-N 1 2 390.478 4.006 20 0 GIADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000180811206 821473095 /nfs/dbraw/zinc/47/30/95/821473095.db2.gz NNGYRSVIPUFPKS-HXUWFJFHSA-N 1 2 387.527 4.413 20 0 GIADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000180811206 821473099 /nfs/dbraw/zinc/47/30/99/821473099.db2.gz NNGYRSVIPUFPKS-HXUWFJFHSA-N 1 2 387.527 4.413 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCSc2ccccc2)C[C@H](C)O1 ZINC000043862272 821475499 /nfs/dbraw/zinc/47/54/99/821475499.db2.gz KHUSTJDHLTZNTA-ROUUACIJSA-N 1 2 399.560 4.210 20 0 GIADLO O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000043924068 821489962 /nfs/dbraw/zinc/48/99/62/821489962.db2.gz QMUWUKCKPPYQKP-UHFFFAOYSA-N 1 2 399.438 4.039 20 0 GIADLO COc1ccc([C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c2ccccc2Cl)cc1 ZINC000180891811 821518731 /nfs/dbraw/zinc/51/87/31/821518731.db2.gz OICVVEGHXPATLF-LJQANCHMSA-N 1 2 395.952 4.241 20 0 GIADLO FC(F)Oc1ccc(NC(=S)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000044129709 821529433 /nfs/dbraw/zinc/52/94/33/821529433.db2.gz HPOJUHZZHPYAPV-UHFFFAOYSA-N 1 2 388.443 4.019 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044313477 821568238 /nfs/dbraw/zinc/56/82/38/821568238.db2.gz WQNIUPAMAXQMNK-OLZOCXBDSA-N 1 2 375.460 4.436 20 0 GIADLO Cc1cc(C)cc(OCc2noc(C[N@H+](Cc3ccccc3)[C@@H](C)CCO)n2)c1 ZINC000180981889 821572440 /nfs/dbraw/zinc/57/24/40/821572440.db2.gz ATZMYTOSBCGNCM-IBGZPJMESA-N 1 2 395.503 4.039 20 0 GIADLO Cc1cc(C)cc(OCc2noc(C[N@@H+](Cc3ccccc3)[C@@H](C)CCO)n2)c1 ZINC000180981889 821572441 /nfs/dbraw/zinc/57/24/41/821572441.db2.gz ATZMYTOSBCGNCM-IBGZPJMESA-N 1 2 395.503 4.039 20 0 GIADLO O=C(Nc1ccccc1N1CCc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000044348815 821575050 /nfs/dbraw/zinc/57/50/50/821575050.db2.gz ZNXBYFGBBDUFGD-UHFFFAOYSA-N 1 2 399.498 4.130 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438882 821587151 /nfs/dbraw/zinc/58/71/51/821587151.db2.gz UBVNYMNYZKBUGV-NSHDSACASA-N 1 2 383.236 4.186 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438882 821587158 /nfs/dbraw/zinc/58/71/58/821587158.db2.gz UBVNYMNYZKBUGV-NSHDSACASA-N 1 2 383.236 4.186 20 0 GIADLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)C[C@H]1n1cc[nH+]c1 ZINC000181026500 821600084 /nfs/dbraw/zinc/60/00/84/821600084.db2.gz LEQATIILLAHLHE-ZTFGCOKTSA-N 1 2 388.899 4.043 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccccc1-n1cccn1 ZINC000044567169 821609692 /nfs/dbraw/zinc/60/96/92/821609692.db2.gz FJQUEXJZBMHQOK-UHFFFAOYSA-N 1 2 383.455 4.324 20 0 GIADLO COc1ccc(CCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000044567367 821609726 /nfs/dbraw/zinc/60/97/26/821609726.db2.gz ZOPPDJQIKXTAFS-UHFFFAOYSA-N 1 2 375.472 4.466 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(-n2cccn2)cc1 ZINC000044567709 821610368 /nfs/dbraw/zinc/61/03/68/821610368.db2.gz AQRJYIBUGYSUHE-UHFFFAOYSA-N 1 2 383.455 4.324 20 0 GIADLO CC(=O)N(c1nc(CN(C)CCCn2cc[nH+]c2)cs1)c1ccc(C)c(C)c1 ZINC000181064044 821615731 /nfs/dbraw/zinc/61/57/31/821615731.db2.gz KQTKBBPPHHSNJX-UHFFFAOYSA-N 1 2 397.548 4.163 20 0 GIADLO CC(=O)N(c1nc(CN(C)CCCn2cc[nH+]c2)cs1)c1cccc(C)c1C ZINC000181097916 821631171 /nfs/dbraw/zinc/63/11/71/821631171.db2.gz CBXHOYWOGHBCJI-UHFFFAOYSA-N 1 2 397.548 4.163 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181101905 821633074 /nfs/dbraw/zinc/63/30/74/821633074.db2.gz KGQRYGAJLPYPDE-UHFFFAOYSA-N 1 2 382.374 4.008 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)Cc2nc(C)sc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181105020 821634392 /nfs/dbraw/zinc/63/43/92/821634392.db2.gz NSSSGPUILGXKGR-LPHOPBHVSA-N 1 2 395.931 4.047 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)Cc2nc(C)sc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181105020 821634394 /nfs/dbraw/zinc/63/43/94/821634394.db2.gz NSSSGPUILGXKGR-LPHOPBHVSA-N 1 2 395.931 4.047 20 0 GIADLO S=c1n(C[NH+]2CCCCCCC2)nc(-c2cccnc2)n1Cc1ccco1 ZINC000044756173 821654385 /nfs/dbraw/zinc/65/43/85/821654385.db2.gz MUIXOXDQCFXPQD-UHFFFAOYSA-N 1 2 383.521 4.341 20 0 GIADLO CC[C@H](C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccc(OC)cc1 ZINC000181147446 821663390 /nfs/dbraw/zinc/66/33/90/821663390.db2.gz NAYMULLUUUNQEY-QFIPXVFZSA-N 1 2 395.547 4.349 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000044918751 821680957 /nfs/dbraw/zinc/68/09/57/821680957.db2.gz WPUKDFXYXWRYHN-OALUTQOASA-N 1 2 398.469 4.098 20 0 GIADLO COc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccc(OC)c(OC)c3)o2)cc1 ZINC000045004573 821688883 /nfs/dbraw/zinc/68/88/83/821688883.db2.gz IOMDZMQZTQDFSM-GOSISDBHSA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccc(OC)c(OC)c3)o2)cc1 ZINC000045004573 821688890 /nfs/dbraw/zinc/68/88/90/821688890.db2.gz IOMDZMQZTQDFSM-GOSISDBHSA-N 1 2 395.459 4.100 20 0 GIADLO COc1cccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)c1 ZINC000181276506 821729109 /nfs/dbraw/zinc/72/91/09/821729109.db2.gz BRBPOVWXXXXQRQ-LBPRGKRZSA-N 1 2 387.281 4.094 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cccc(N2CCCC2=O)c1 ZINC000181312355 821750573 /nfs/dbraw/zinc/75/05/73/821750573.db2.gz LQLIHYOZNVDKIG-HNNXBMFYSA-N 1 2 378.501 4.183 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)c1cn(-c2ccccc2)nn1 ZINC000181339985 821771047 /nfs/dbraw/zinc/77/10/47/821771047.db2.gz OLOWNURBLLBEDN-STQMWFEESA-N 1 2 376.382 4.420 20 0 GIADLO Cc1c([C@@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)nnn1-c1ccc(F)cc1 ZINC000181345805 821775601 /nfs/dbraw/zinc/77/56/01/821775601.db2.gz XAVYPKZRMHSTLY-CQSZACIVSA-N 1 2 383.471 4.138 20 0 GIADLO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2OC)cc1 ZINC000181363876 821789104 /nfs/dbraw/zinc/78/91/04/821789104.db2.gz OTTCFFQILKVNMC-ZHRRBRCNSA-N 1 2 395.455 4.108 20 0 GIADLO C[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1cccc(N2CCCC2=O)c1 ZINC000181395664 821805174 /nfs/dbraw/zinc/80/51/74/821805174.db2.gz KXXDGSZCLOEVGM-OAHLLOKOSA-N 1 2 379.435 4.458 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCCOc4cc(F)ccc43)cn2c1 ZINC000181400937 821807290 /nfs/dbraw/zinc/80/72/90/821807290.db2.gz IBPXYNZDQPSOBD-SFHVURJKSA-N 1 2 399.491 4.045 20 0 GIADLO C[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1cccc(N2CCCC2=O)c1 ZINC000181408171 821810048 /nfs/dbraw/zinc/81/00/48/821810048.db2.gz MLSIODUVORBVAB-HNNXBMFYSA-N 1 2 379.435 4.458 20 0 GIADLO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000181412803 821812631 /nfs/dbraw/zinc/81/26/31/821812631.db2.gz YPPUNJCVFDSFCR-SFHVURJKSA-N 1 2 389.398 4.365 20 0 GIADLO Cn1c(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)nnc1C1CCC1 ZINC000181458134 821834761 /nfs/dbraw/zinc/83/47/61/821834761.db2.gz CQORBFBHKGWRGY-UHFFFAOYSA-N 1 2 390.531 4.057 20 0 GIADLO Cn1c(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)nnc1C1CCC1 ZINC000181458134 821834766 /nfs/dbraw/zinc/83/47/66/821834766.db2.gz CQORBFBHKGWRGY-UHFFFAOYSA-N 1 2 390.531 4.057 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+](C)CCc2ccncc2)cs1 ZINC000181464740 821838891 /nfs/dbraw/zinc/83/88/91/821838891.db2.gz ZEVKHXNSIHDRSD-UHFFFAOYSA-N 1 2 394.544 4.460 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+](C)CCc2ccncc2)cs1 ZINC000181464740 821838898 /nfs/dbraw/zinc/83/88/98/821838898.db2.gz ZEVKHXNSIHDRSD-UHFFFAOYSA-N 1 2 394.544 4.460 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000181532242 821869908 /nfs/dbraw/zinc/86/99/08/821869908.db2.gz TZODOWXOCGOKHQ-CYBMUJFWSA-N 1 2 376.291 4.437 20 0 GIADLO COc1ccc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)c(Br)c1OC ZINC000181613559 821903976 /nfs/dbraw/zinc/90/39/76/821903976.db2.gz NQOKNMFZCYVCDB-HNNXBMFYSA-N 1 2 397.338 4.472 20 0 GIADLO C[C@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1c(F)cccc1Cl ZINC000181744933 821973109 /nfs/dbraw/zinc/97/31/09/821973109.db2.gz VRUGZPHXGCIRLK-LBPRGKRZSA-N 1 2 391.899 4.098 20 0 GIADLO CCC[C@@H]([NH2+]Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1)c1ccccc1 ZINC000181780158 821989472 /nfs/dbraw/zinc/98/94/72/821989472.db2.gz GBEOGKPRUJUBSC-GOSISDBHSA-N 1 2 396.516 4.430 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)NCCCCOC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181903390 822032315 /nfs/dbraw/zinc/03/23/15/822032315.db2.gz XBZZEGQYFZCAJK-OALUTQOASA-N 1 2 399.938 4.119 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)NCCCCOC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181903390 822032324 /nfs/dbraw/zinc/03/23/24/822032324.db2.gz XBZZEGQYFZCAJK-OALUTQOASA-N 1 2 399.938 4.119 20 0 GIADLO O=S1(=O)CC[C@@H]([N@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C2CC2)C1 ZINC000182090607 822089673 /nfs/dbraw/zinc/08/96/73/822089673.db2.gz NNBQTBCXFKUKEY-MRXNPFEDSA-N 1 2 399.434 4.117 20 0 GIADLO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C2CC2)C1 ZINC000182090607 822089677 /nfs/dbraw/zinc/08/96/77/822089677.db2.gz NNBQTBCXFKUKEY-MRXNPFEDSA-N 1 2 399.434 4.117 20 0 GIADLO Clc1cnc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c(Cl)c1 ZINC000182201171 822143867 /nfs/dbraw/zinc/14/38/67/822143867.db2.gz FHFKMYKXWILPCN-UHFFFAOYSA-N 1 2 390.274 4.213 20 0 GIADLO CSCCCCCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000182202251 822144736 /nfs/dbraw/zinc/14/47/36/822144736.db2.gz CTABZOQJCFEMMM-UXHICEINSA-N 1 2 386.565 4.334 20 0 GIADLO Cc1nscc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000182353344 822211762 /nfs/dbraw/zinc/21/17/62/822211762.db2.gz KHZKLHIIFYXYGD-IAGOWNOFSA-N 1 2 381.904 4.198 20 0 GIADLO Cc1nscc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000182353344 822211773 /nfs/dbraw/zinc/21/17/73/822211773.db2.gz KHZKLHIIFYXYGD-IAGOWNOFSA-N 1 2 381.904 4.198 20 0 GIADLO COc1ccc(N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1N1CCOC1=O ZINC000182363908 822216205 /nfs/dbraw/zinc/21/62/05/822216205.db2.gz QCIIQHZUQBIFDH-HNNXBMFYSA-N 1 2 378.432 4.011 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3C[C@@H](c4ccccc4)C[C@@H]3C)s2)cc1 ZINC000182486822 822262911 /nfs/dbraw/zinc/26/29/11/822262911.db2.gz OIPURXQBJRHVQC-WMZOPIPTSA-N 1 2 392.528 4.477 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3C[C@@H](c4ccccc4)C[C@@H]3C)s2)cc1 ZINC000182486822 822262921 /nfs/dbraw/zinc/26/29/21/822262921.db2.gz OIPURXQBJRHVQC-WMZOPIPTSA-N 1 2 392.528 4.477 20 0 GIADLO O=C(NCCc1cccs1)C1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000182543656 822293503 /nfs/dbraw/zinc/29/35/03/822293503.db2.gz AFZLQZIYYZNDAO-UHFFFAOYSA-N 1 2 398.359 4.021 20 0 GIADLO CCC[N@@H+](Cc1nnc(Cc2ccccc2C)o1)C[C@H]1COc2ccccc2O1 ZINC000178060255 822305115 /nfs/dbraw/zinc/30/51/15/822305115.db2.gz OUYHHMWREDVACX-IBGZPJMESA-N 1 2 393.487 4.021 20 0 GIADLO CCC[N@H+](Cc1nnc(Cc2ccccc2C)o1)C[C@H]1COc2ccccc2O1 ZINC000178060255 822305122 /nfs/dbraw/zinc/30/51/22/822305122.db2.gz OUYHHMWREDVACX-IBGZPJMESA-N 1 2 393.487 4.021 20 0 GIADLO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NCc1ccn2cc[nH+]c2c1 ZINC000178065165 822306817 /nfs/dbraw/zinc/30/68/17/822306817.db2.gz NNGYHWLTTLWBKZ-GDNBJRDFSA-N 1 2 379.769 4.250 20 0 GIADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000182621080 822326356 /nfs/dbraw/zinc/32/63/56/822326356.db2.gz LBYISWIXYCGGGL-IBGZPJMESA-N 1 2 378.394 4.237 20 0 GIADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000182621080 822326367 /nfs/dbraw/zinc/32/63/67/822326367.db2.gz LBYISWIXYCGGGL-IBGZPJMESA-N 1 2 378.394 4.237 20 0 GIADLO CCn1c(COc2ccc(C)cc2)nnc1SCc1cn2cc(C)ccc2[nH+]1 ZINC000178296816 822364557 /nfs/dbraw/zinc/36/45/57/822364557.db2.gz QWXCOYFBXHMJBI-UHFFFAOYSA-N 1 2 393.516 4.434 20 0 GIADLO O=C(NCc1cc2ccccc2o1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178311734 822366190 /nfs/dbraw/zinc/36/61/90/822366190.db2.gz UZVJXEDWVNZFDD-IFMALSPDSA-N 1 2 386.455 4.357 20 0 GIADLO O=C(N[C@@H]1CCc2cc(F)ccc21)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178331452 822367840 /nfs/dbraw/zinc/36/78/40/822367840.db2.gz BCOOGSJIOIELPE-VSKRKVRLSA-N 1 2 390.462 4.238 20 0 GIADLO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000178406241 822376324 /nfs/dbraw/zinc/37/63/24/822376324.db2.gz LXCZFDFGPXFKSB-UHFFFAOYSA-N 1 2 396.560 4.152 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(C)cc2)cc1 ZINC000045294224 822376645 /nfs/dbraw/zinc/37/66/45/822376645.db2.gz IQWBMBVMZCOWJB-UHFFFAOYSA-N 1 2 377.488 4.323 20 0 GIADLO CCS[C@@H](C)c1noc(C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000178448592 822380024 /nfs/dbraw/zinc/38/00/24/822380024.db2.gz TVMYBDYKLAUSSF-KGLIPLIRSA-N 1 2 398.573 4.009 20 0 GIADLO CC/C(=C\C(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000178504620 822386069 /nfs/dbraw/zinc/38/60/69/822386069.db2.gz ZECPQTPZUYDALV-FBMGVBCBSA-N 1 2 391.471 4.403 20 0 GIADLO COCCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000453614277 822393376 /nfs/dbraw/zinc/39/33/76/822393376.db2.gz PKHYYLWWTVISTG-GOSISDBHSA-N 1 2 391.309 4.206 20 0 GIADLO COCCOc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000453614277 822393379 /nfs/dbraw/zinc/39/33/79/822393379.db2.gz PKHYYLWWTVISTG-GOSISDBHSA-N 1 2 391.309 4.206 20 0 GIADLO CCOC(=O)N1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000178629891 822397601 /nfs/dbraw/zinc/39/76/01/822397601.db2.gz GNRSXFQAXLTWNL-AWEZNQCLSA-N 1 2 377.872 4.220 20 0 GIADLO CCOC(=O)N1CCC[N@H+]([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000178629891 822397605 /nfs/dbraw/zinc/39/76/05/822397605.db2.gz GNRSXFQAXLTWNL-AWEZNQCLSA-N 1 2 377.872 4.220 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1c(Cl)cccc1Cl ZINC000182959304 822400057 /nfs/dbraw/zinc/40/00/57/822400057.db2.gz SZUJYIITLDBFCX-UHFFFAOYSA-N 1 2 379.287 4.386 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CSc2nccc3ccccc32)c1C ZINC000178692895 822403459 /nfs/dbraw/zinc/40/34/59/822403459.db2.gz XUSBDPBKVTWGLZ-UHFFFAOYSA-N 1 2 381.501 4.006 20 0 GIADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178858103 822417059 /nfs/dbraw/zinc/41/70/59/822417059.db2.gz BSRIKJZRWIRIQI-OAHLLOKOSA-N 1 2 393.318 4.199 20 0 GIADLO CCC[C@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C(C)(C)C ZINC000453872972 822417935 /nfs/dbraw/zinc/41/79/35/822417935.db2.gz GSZQTTKEUUUKQK-IBGZPJMESA-N 1 2 396.535 4.156 20 0 GIADLO COCc1noc([C@H](C)[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000183067258 822419859 /nfs/dbraw/zinc/41/98/59/822419859.db2.gz LBDIDFBSTYBDRR-PWSUYJOCSA-N 1 2 376.457 4.199 20 0 GIADLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)n1 ZINC000183075264 822421069 /nfs/dbraw/zinc/42/10/69/822421069.db2.gz HJJLRNWNKOYLSM-AAEUAGOBSA-N 1 2 388.493 4.068 20 0 GIADLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccccc3-n3cccn3)n2)ccc1C ZINC000183149293 822431465 /nfs/dbraw/zinc/43/14/65/822431465.db2.gz DDBBNYTVROAYBE-INIZCTEOSA-N 1 2 389.459 4.090 20 0 GIADLO CCCCOc1ccc(OC)cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046006994 822433827 /nfs/dbraw/zinc/43/38/27/822433827.db2.gz HDFOZRHTJLFUNL-UHFFFAOYSA-N 1 2 398.507 4.060 20 0 GIADLO O=C(C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)Nc1cc(F)cc(F)c1 ZINC000179068195 822434911 /nfs/dbraw/zinc/43/49/11/822434911.db2.gz SCXSLJLNQDVEFV-FQEVSTJZSA-N 1 2 387.817 4.331 20 0 GIADLO Cc1ccc(Br)cc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019119 822435353 /nfs/dbraw/zinc/43/53/53/822435353.db2.gz SENBSUGNJZDUPF-UHFFFAOYSA-N 1 2 399.292 4.324 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@]4(CCSC4)C3)n2)C1 ZINC000454265741 822446262 /nfs/dbraw/zinc/44/62/62/822446262.db2.gz AQYUBTYCAIHVIJ-HNAYVOBHSA-N 1 2 394.610 4.126 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@]4(CCSC4)C3)n2)C1 ZINC000454265741 822446264 /nfs/dbraw/zinc/44/62/64/822446264.db2.gz AQYUBTYCAIHVIJ-HNAYVOBHSA-N 1 2 394.610 4.126 20 0 GIADLO CC[C@@H](CNc1ccccc1)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000454265984 822446268 /nfs/dbraw/zinc/44/62/68/822446268.db2.gz HVLGDKOSUUFNFU-INIZCTEOSA-N 1 2 387.553 4.141 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)C1 ZINC000179184041 822448026 /nfs/dbraw/zinc/44/80/26/822448026.db2.gz UFBUVWABXDEMHF-INIZCTEOSA-N 1 2 394.906 4.230 20 0 GIADLO COc1ccc(C[NH2+][C@H](C)c2ncc(Br)s2)cc1OC(F)F ZINC000179198997 822449718 /nfs/dbraw/zinc/44/97/18/822449718.db2.gz XWNXTCRRYDOLCV-MRVPVSSYSA-N 1 2 393.253 4.366 20 0 GIADLO COc1cc2c(cc1C[NH2+][C@H](C)c1ncc(Br)s1)O[C@H](C)C2 ZINC000179200698 822449947 /nfs/dbraw/zinc/44/99/47/822449947.db2.gz VOBHYKBTUGOTTA-NXEZZACHSA-N 1 2 383.311 4.088 20 0 GIADLO C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ncc(Br)s1 ZINC000179203428 822450333 /nfs/dbraw/zinc/45/03/33/822450333.db2.gz XIDTVRSWBAWBIU-LLVKDONJSA-N 1 2 382.327 4.473 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cnn1C ZINC000183326523 822459376 /nfs/dbraw/zinc/45/93/76/822459376.db2.gz YDHBCPSJQROVDL-NXEZZACHSA-N 1 2 380.279 4.497 20 0 GIADLO C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000046341516 822463184 /nfs/dbraw/zinc/46/31/84/822463184.db2.gz VSKGBMHXRZMJNX-KZNAEPCWSA-N 1 2 384.545 4.415 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cnn1C ZINC000183358002 822463229 /nfs/dbraw/zinc/46/32/29/822463229.db2.gz NPOGRZNTQPHYMV-MNOVXSKESA-N 1 2 379.386 4.209 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C[C@@H](C)O1 ZINC000046342904 822463624 /nfs/dbraw/zinc/46/36/24/822463624.db2.gz XKHOIVVQVOWBLN-IMAQQZIHSA-N 1 2 382.479 4.177 20 0 GIADLO CC(C)Oc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046343547 822463919 /nfs/dbraw/zinc/46/39/19/822463919.db2.gz YLPBMHLZAPFTJH-HDICACEKSA-N 1 2 382.504 4.335 20 0 GIADLO CC(C)Oc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046343547 822463921 /nfs/dbraw/zinc/46/39/21/822463921.db2.gz YLPBMHLZAPFTJH-HDICACEKSA-N 1 2 382.504 4.335 20 0 GIADLO Cc1cccc(OCCC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000046345038 822464161 /nfs/dbraw/zinc/46/41/61/822464161.db2.gz OXZVLRPYPFCKKW-OALUTQOASA-N 1 2 396.531 4.320 20 0 GIADLO CCC(CC)n1ncc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)c1C ZINC000179309525 822464137 /nfs/dbraw/zinc/46/41/37/822464137.db2.gz ZRRWGCLFWBMUFK-KRWDZBQOSA-N 1 2 398.551 4.080 20 0 GIADLO C[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179322639 822465930 /nfs/dbraw/zinc/46/59/30/822465930.db2.gz HQSLUBQSUPDOCP-UPRAQXHNSA-N 1 2 390.890 4.022 20 0 GIADLO C[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179322639 822465932 /nfs/dbraw/zinc/46/59/32/822465932.db2.gz HQSLUBQSUPDOCP-UPRAQXHNSA-N 1 2 390.890 4.022 20 0 GIADLO Cc1ccc(Br)c(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000179349344 822469394 /nfs/dbraw/zinc/46/93/94/822469394.db2.gz BSMWHNWIWKGPGG-UHFFFAOYSA-N 1 2 385.265 4.265 20 0 GIADLO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1Cl ZINC000179360758 822471088 /nfs/dbraw/zinc/47/10/88/822471088.db2.gz RRNHGTQIIIJFAL-UHFFFAOYSA-N 1 2 386.923 4.016 20 0 GIADLO COc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1Cl ZINC000179360758 822471091 /nfs/dbraw/zinc/47/10/91/822471091.db2.gz RRNHGTQIIIJFAL-UHFFFAOYSA-N 1 2 386.923 4.016 20 0 GIADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000046467408 822475735 /nfs/dbraw/zinc/47/57/35/822475735.db2.gz WWXFFTGGOSVODC-HNNXBMFYSA-N 1 2 384.402 4.061 20 0 GIADLO CN(C)c1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C(F)(F)F)c1 ZINC000046468890 822475898 /nfs/dbraw/zinc/47/58/98/822475898.db2.gz XVHZNAFYOFOJRA-INIZCTEOSA-N 1 2 397.445 4.204 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046469540 822476154 /nfs/dbraw/zinc/47/61/54/822476154.db2.gz JUHQZVXYMQSOOJ-HNNXBMFYSA-N 1 2 379.302 4.190 20 0 GIADLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)CCCO1 ZINC000179393781 822476382 /nfs/dbraw/zinc/47/63/82/822476382.db2.gz NAGCGJWAGSWDJY-OAHLLOKOSA-N 1 2 391.309 4.034 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)CCCO1 ZINC000179393781 822476386 /nfs/dbraw/zinc/47/63/86/822476386.db2.gz NAGCGJWAGSWDJY-OAHLLOKOSA-N 1 2 391.309 4.034 20 0 GIADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CCC[C@H]1F ZINC000454451346 822477993 /nfs/dbraw/zinc/47/79/93/822477993.db2.gz JCLBLNSUZZOGPU-YADHBBJMSA-N 1 2 392.478 4.288 20 0 GIADLO C[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C(C)(F)F ZINC000454464612 822479900 /nfs/dbraw/zinc/47/99/00/822479900.db2.gz VXBOIFXQSZYQQI-MRXNPFEDSA-N 1 2 398.457 4.441 20 0 GIADLO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000183527810 822490276 /nfs/dbraw/zinc/49/02/76/822490276.db2.gz LDVDHPZOVSWMFS-FGZHOGPDSA-N 1 2 393.556 4.204 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000046617325 822493577 /nfs/dbraw/zinc/49/35/77/822493577.db2.gz NCKHWJFYJXWPKD-UHFFFAOYSA-N 1 2 381.476 4.348 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000046619370 822493746 /nfs/dbraw/zinc/49/37/46/822493746.db2.gz YTBWAWDILOMETM-UHFFFAOYSA-N 1 2 391.496 4.101 20 0 GIADLO Cc1cccc([C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccn2)c1 ZINC000179533310 822498746 /nfs/dbraw/zinc/49/87/46/822498746.db2.gz LTJZXLTZQQYUCJ-JTSKRJEESA-N 1 2 380.513 4.234 20 0 GIADLO COc1ccc(Cl)c(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000179542941 822500304 /nfs/dbraw/zinc/50/03/04/822500304.db2.gz OWQDINJKVXJOAW-WMZOPIPTSA-N 1 2 395.837 4.194 20 0 GIADLO COc1ccc(Cl)c(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000179542941 822500306 /nfs/dbraw/zinc/50/03/06/822500306.db2.gz OWQDINJKVXJOAW-WMZOPIPTSA-N 1 2 395.837 4.194 20 0 GIADLO C[C@@H]([NH2+][C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(S(C)(=O)=O)cc1 ZINC000179550527 822501723 /nfs/dbraw/zinc/50/17/23/822501723.db2.gz UCFUMQVLNAAJMN-VFNWGFHPSA-N 1 2 384.476 4.064 20 0 GIADLO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1cc(F)ccc1F ZINC000179555745 822502866 /nfs/dbraw/zinc/50/28/66/822502866.db2.gz FFKALMUIWWATGC-QTJFZDIUSA-N 1 2 380.866 4.341 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2cn3cc(Cl)ccc3n2)cc1OC(F)F ZINC000046776408 822515998 /nfs/dbraw/zinc/51/59/98/822515998.db2.gz GADNQOOGBZHQGS-UHFFFAOYSA-N 1 2 381.810 4.230 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2cn3cc(Cl)ccc3n2)cc1OC(F)F ZINC000046776408 822516002 /nfs/dbraw/zinc/51/60/02/822516002.db2.gz GADNQOOGBZHQGS-UHFFFAOYSA-N 1 2 381.810 4.230 20 0 GIADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183824690 822532633 /nfs/dbraw/zinc/53/26/33/822532633.db2.gz JFVUYPZHBYSTGQ-GFCCVEGCSA-N 1 2 392.297 4.314 20 0 GIADLO CC[C@H]([NH2+]Cc1nnnn1-c1c(C)cccc1C)c1ccccc1OC(F)F ZINC000179724787 822535782 /nfs/dbraw/zinc/53/57/82/822535782.db2.gz LFZWWYKJYSGFFL-INIZCTEOSA-N 1 2 387.434 4.121 20 0 GIADLO CSc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000047055546 822541222 /nfs/dbraw/zinc/54/12/22/822541222.db2.gz SSTJGLPUTNZMMR-OAHLLOKOSA-N 1 2 375.563 4.058 20 0 GIADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000179754059 822543587 /nfs/dbraw/zinc/54/35/87/822543587.db2.gz IECDMECMNHGNHG-INIZCTEOSA-N 1 2 381.432 4.105 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)n2)cc1 ZINC000179757697 822544451 /nfs/dbraw/zinc/54/44/51/822544451.db2.gz KMDBDYVAYDOKEW-JOCHJYFZSA-N 1 2 391.471 4.311 20 0 GIADLO Cc1ccc(NC(=O)NCc2c[nH+]c(C)cc2C)c(-c2nc(C3CC3)no2)c1 ZINC000454900228 822553312 /nfs/dbraw/zinc/55/33/12/822553312.db2.gz BMMGTZNVAJDEIR-UHFFFAOYSA-N 1 2 377.448 4.256 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(Cc1ccco1)Cc1cccs1 ZINC000047247380 822558406 /nfs/dbraw/zinc/55/84/06/822558406.db2.gz KRKDVLAEDOAEJQ-UHFFFAOYSA-N 1 2 377.469 4.429 20 0 GIADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2Cc2ccccc2)on1 ZINC000047273802 822560961 /nfs/dbraw/zinc/56/09/61/822560961.db2.gz PDKIFIAHBIJQLQ-NRFANRHFSA-N 1 2 375.472 4.349 20 0 GIADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2Cc2ccccc2)on1 ZINC000047273802 822560964 /nfs/dbraw/zinc/56/09/64/822560964.db2.gz PDKIFIAHBIJQLQ-NRFANRHFSA-N 1 2 375.472 4.349 20 0 GIADLO Cc1nc(COc2ccc(N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)cc2)no1 ZINC000179835167 822563012 /nfs/dbraw/zinc/56/30/12/822563012.db2.gz FRQHNUAOBVVDAG-HNNXBMFYSA-N 1 2 375.432 4.316 20 0 GIADLO CC(C)[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1nc(C2CC2)no1 ZINC000179837518 822563457 /nfs/dbraw/zinc/56/34/57/822563457.db2.gz DADSTMGATQDQET-FQEVSTJZSA-N 1 2 379.460 4.029 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000179839470 822563974 /nfs/dbraw/zinc/56/39/74/822563974.db2.gz SAGLAQOGDUAUFK-UHFFFAOYSA-N 1 2 395.312 4.327 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000179847740 822565507 /nfs/dbraw/zinc/56/55/07/822565507.db2.gz BNRWZYZJLOLPDG-HDICACEKSA-N 1 2 398.551 4.414 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000179847740 822565508 /nfs/dbraw/zinc/56/55/08/822565508.db2.gz BNRWZYZJLOLPDG-HDICACEKSA-N 1 2 398.551 4.414 20 0 GIADLO C[C@@H](c1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1)C(F)(F)F ZINC000454989637 822566782 /nfs/dbraw/zinc/56/67/82/822566782.db2.gz KBSWCDGDHQDSPD-HNNXBMFYSA-N 1 2 392.421 4.437 20 0 GIADLO C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000184029462 822567270 /nfs/dbraw/zinc/56/72/70/822567270.db2.gz SVHGKSKGBAACBI-HTAPYJJXSA-N 1 2 378.520 4.063 20 0 GIADLO Cn1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(C(C)(C)C)n1 ZINC000179858517 822567363 /nfs/dbraw/zinc/56/73/63/822567363.db2.gz UZDYVGKVSSNXDB-UHFFFAOYSA-N 1 2 377.492 4.170 20 0 GIADLO O=C1Nc2ccccc2C12CCC([NH2+]c1ccc(N3CCSCC3)cc1)CC2 ZINC000179900128 822573489 /nfs/dbraw/zinc/57/34/89/822573489.db2.gz YSTFVLRDXOUEGP-UHFFFAOYSA-N 1 2 393.556 4.484 20 0 GIADLO CCN(C(=O)C[NH2+][C@@H](C)c1c(F)cccc1OC)c1nc2ccccc2s1 ZINC000179920442 822577581 /nfs/dbraw/zinc/57/75/81/822577581.db2.gz NZHJOJHGUNVFII-ZDUSSCGKSA-N 1 2 387.480 4.148 20 0 GIADLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1Br ZINC000179929805 822578907 /nfs/dbraw/zinc/57/89/07/822578907.db2.gz NKMVWYZINIYYQD-LLVKDONJSA-N 1 2 398.272 4.465 20 0 GIADLO O=C(Cn1nc(C(F)(F)F)c2c[nH+]ccc21)Nc1ccccc1C(F)(F)F ZINC000179929944 822579105 /nfs/dbraw/zinc/57/91/05/822579105.db2.gz LKZNXLLUZKHZAJ-UHFFFAOYSA-N 1 2 388.271 4.108 20 0 GIADLO CC[C@H](NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21)c1ccc(Cl)cc1 ZINC000179930737 822579114 /nfs/dbraw/zinc/57/91/14/822579114.db2.gz FIXNBYIELKBMHN-AWEZNQCLSA-N 1 2 396.800 4.371 20 0 GIADLO Cc1noc(CSc2ccccc2C(=O)Nc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000047514430 822585728 /nfs/dbraw/zinc/58/57/28/822585728.db2.gz XGGKFADUIQMLKQ-UHFFFAOYSA-N 1 2 391.456 4.108 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000455109940 822590237 /nfs/dbraw/zinc/59/02/37/822590237.db2.gz OZUOHBIWPSBBIF-LBPRGKRZSA-N 1 2 386.805 4.010 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000047569477 822591751 /nfs/dbraw/zinc/59/17/51/822591751.db2.gz WCGMBXXONLZRBU-CALCHBBNSA-N 1 2 385.483 4.099 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000047569477 822591752 /nfs/dbraw/zinc/59/17/52/822591752.db2.gz WCGMBXXONLZRBU-CALCHBBNSA-N 1 2 385.483 4.099 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2cccc(F)c2)C[C@H](C)O1 ZINC000047569419 822591763 /nfs/dbraw/zinc/59/17/63/822591763.db2.gz VQZMIBKCTDCEJM-IRXDYDNUSA-N 1 2 385.483 4.099 20 0 GIADLO CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569560 822591859 /nfs/dbraw/zinc/59/18/59/822591859.db2.gz WFKMDKRZNAWGKN-HDICACEKSA-N 1 2 399.510 4.489 20 0 GIADLO CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569560 822591862 /nfs/dbraw/zinc/59/18/62/822591862.db2.gz WFKMDKRZNAWGKN-HDICACEKSA-N 1 2 399.510 4.489 20 0 GIADLO Cc1ccc([C@H](C)NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047570166 822592107 /nfs/dbraw/zinc/59/21/07/822592107.db2.gz FCFCQXNZOQYEMG-OTWHNJEPSA-N 1 2 381.520 4.487 20 0 GIADLO Cc1ccc([C@H](C)NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047570166 822592111 /nfs/dbraw/zinc/59/21/11/822592111.db2.gz FCFCQXNZOQYEMG-OTWHNJEPSA-N 1 2 381.520 4.487 20 0 GIADLO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184214440 822597260 /nfs/dbraw/zinc/59/72/60/822597260.db2.gz AMKKPFNTNSASDP-ROUUACIJSA-N 1 2 390.549 4.180 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)n1 ZINC000184228422 822599597 /nfs/dbraw/zinc/59/95/97/822599597.db2.gz YAPKCVYSELFQHP-FZKQIMNGSA-N 1 2 389.521 4.209 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000455164507 822600453 /nfs/dbraw/zinc/60/04/53/822600453.db2.gz JZYLTRPJIGAURB-SFHVURJKSA-N 1 2 394.510 4.155 20 0 GIADLO Fc1cccc(Cl)c1C[NH+]1CCC(Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000180051443 822604853 /nfs/dbraw/zinc/60/48/53/822604853.db2.gz ZGGTXAMNPNOUEM-UHFFFAOYSA-N 1 2 390.812 4.314 20 0 GIADLO CC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)Cc1cccc(Cl)c1 ZINC000047958668 822622601 /nfs/dbraw/zinc/62/26/01/822622601.db2.gz GJZWYKMZPRMMSS-UHFFFAOYSA-N 1 2 387.867 4.429 20 0 GIADLO CC[N@@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)Cc1cccc(Cl)c1 ZINC000047958668 822622604 /nfs/dbraw/zinc/62/26/04/822622604.db2.gz GJZWYKMZPRMMSS-UHFFFAOYSA-N 1 2 387.867 4.429 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000184374757 822624198 /nfs/dbraw/zinc/62/41/98/822624198.db2.gz YEPGYJSSPAHOBK-AWEZNQCLSA-N 1 2 385.920 4.469 20 0 GIADLO C[C@@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cccnc1 ZINC000048067548 822628910 /nfs/dbraw/zinc/62/89/10/822628910.db2.gz WZJWMUHDFZKPCC-KDOFPFPSSA-N 1 2 390.890 4.071 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1nc(Cc2ccccc2)cs1 ZINC000184428917 822633366 /nfs/dbraw/zinc/63/33/66/822633366.db2.gz JSVYQFQXFBBKOZ-UHFFFAOYSA-N 1 2 393.516 4.051 20 0 GIADLO C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000184446378 822636539 /nfs/dbraw/zinc/63/65/39/822636539.db2.gz VYDZAMXTBILQHJ-ZDUSSCGKSA-N 1 2 375.563 4.230 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ncoc1-c1ccc(F)cc1 ZINC000184456349 822638625 /nfs/dbraw/zinc/63/86/25/822638625.db2.gz ORDHZJOKZBTVEY-UHFFFAOYSA-N 1 2 386.452 4.175 20 0 GIADLO Fc1cccc(OC[C@H]([NH2+]Cc2cnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000180207146 822639378 /nfs/dbraw/zinc/63/93/78/822639378.db2.gz MKTIDBBFZFONCE-SFHVURJKSA-N 1 2 379.357 4.478 20 0 GIADLO Cc1nc(-c2ccccc2)sc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000184462812 822640015 /nfs/dbraw/zinc/64/00/15/822640015.db2.gz UVPUTDXWCCFVNL-RHSMWYFYSA-N 1 2 381.505 4.430 20 0 GIADLO Cc1nc(-c2ccccc2)sc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000184462851 822640021 /nfs/dbraw/zinc/64/00/21/822640021.db2.gz UVPUTDXWCCFVNL-PBHICJAKSA-N 1 2 381.505 4.430 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(Cl)c1 ZINC000184474810 822642318 /nfs/dbraw/zinc/64/23/18/822642318.db2.gz JSAIDXHTXWNDFD-DLBZAZTESA-N 1 2 394.943 4.338 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(Cl)c1 ZINC000184474810 822642319 /nfs/dbraw/zinc/64/23/19/822642319.db2.gz JSAIDXHTXWNDFD-DLBZAZTESA-N 1 2 394.943 4.338 20 0 GIADLO Cc1cc(C)c(CNC(=O)NCc2nn(CCC(C)C)c3ccccc23)c[nH+]1 ZINC000455382407 822643954 /nfs/dbraw/zinc/64/39/54/822643954.db2.gz JJLWSQWCOOSAEB-UHFFFAOYSA-N 1 2 379.508 4.094 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1nc(C(C)(C)C)cs1 ZINC000184494174 822645313 /nfs/dbraw/zinc/64/53/13/822645313.db2.gz KWUQOFVGHQUGDL-LLVKDONJSA-N 1 2 383.464 4.331 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCc1cc(C)ccc1F ZINC000455420866 822650616 /nfs/dbraw/zinc/65/06/16/822650616.db2.gz IBIZJWIIAANEJP-UHFFFAOYSA-N 1 2 398.526 4.020 20 0 GIADLO COC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccco1 ZINC000184526065 822651038 /nfs/dbraw/zinc/65/10/38/822651038.db2.gz NLKOHCVFNLKISM-OZVIIMIRSA-N 1 2 385.291 4.129 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1nc(-c2ccccc2)cs1 ZINC000184530219 822651848 /nfs/dbraw/zinc/65/18/48/822651848.db2.gz IGNSRYDBCCDQHT-ZDUSSCGKSA-N 1 2 384.505 4.385 20 0 GIADLO O=C(C[N@H+](Cc1cccnc1)C1CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000180282498 822654680 /nfs/dbraw/zinc/65/46/80/822654680.db2.gz NAGKDKMWSQSNPP-JOCHJYFZSA-N 1 2 395.503 4.152 20 0 GIADLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000180282498 822654682 /nfs/dbraw/zinc/65/46/82/822654682.db2.gz NAGKDKMWSQSNPP-JOCHJYFZSA-N 1 2 395.503 4.152 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c(C)[nH+]1 ZINC000455474972 822661714 /nfs/dbraw/zinc/66/17/14/822661714.db2.gz DHPUZSIRNAWYPV-AWEZNQCLSA-N 1 2 383.427 4.387 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C)[nH+]1 ZINC000455478453 822662461 /nfs/dbraw/zinc/66/24/61/822662461.db2.gz FYDWUXMPLUPRLN-FUHWJXTLSA-N 1 2 377.847 4.451 20 0 GIADLO C[C@H](c1nccs1)N1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000184596385 822663327 /nfs/dbraw/zinc/66/33/27/822663327.db2.gz LQJCIOJHJDPGKJ-QGZVFWFLSA-N 1 2 380.517 4.209 20 0 GIADLO COc1ccccc1COC1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000455494567 822665634 /nfs/dbraw/zinc/66/56/34/822665634.db2.gz NEVHHMNRLQUJGJ-UHFFFAOYSA-N 1 2 383.492 4.229 20 0 GIADLO Cc1cc(C)c(NC(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000455496595 822666023 /nfs/dbraw/zinc/66/60/23/822666023.db2.gz PCEIXZMNUQENQO-IRXDYDNUSA-N 1 2 393.409 4.365 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H](CCO)c2ccccc2Br)c(C)[nH+]1 ZINC000455500613 822666774 /nfs/dbraw/zinc/66/67/74/822666774.db2.gz TXMADFSWOXNMOW-INIZCTEOSA-N 1 2 392.297 4.015 20 0 GIADLO C[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(Cl)s1 ZINC000048507494 822668550 /nfs/dbraw/zinc/66/85/50/822668550.db2.gz MCVWRTGAFPMKHC-AWEZNQCLSA-N 1 2 388.924 4.249 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1C ZINC000184647123 822670550 /nfs/dbraw/zinc/67/05/50/822670550.db2.gz OPRHZJAZQBPOEJ-AWEZNQCLSA-N 1 2 375.435 4.216 20 0 GIADLO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180365793 822670812 /nfs/dbraw/zinc/67/08/12/822670812.db2.gz AAYJZXNMNYLCRF-FQEVSTJZSA-N 1 2 376.460 4.159 20 0 GIADLO COC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(C)o1 ZINC000184670082 822673616 /nfs/dbraw/zinc/67/36/16/822673616.db2.gz DCOPCBXPYXJUMG-WBMJQRKESA-N 1 2 385.291 4.049 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(C)Cc2ccc(Br)cc2C)c[nH+]1 ZINC000455571423 822676514 /nfs/dbraw/zinc/67/65/14/822676514.db2.gz NDXZFNJUBYWRSV-UHFFFAOYSA-N 1 2 376.298 4.111 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cs1 ZINC000184688780 822676807 /nfs/dbraw/zinc/67/68/07/822676807.db2.gz KAIFJDUXNCGRQC-HNNXBMFYSA-N 1 2 394.544 4.153 20 0 GIADLO COc1cccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)c1OC ZINC000048751936 822681334 /nfs/dbraw/zinc/68/13/34/822681334.db2.gz KRXLKVXGZPZXNA-UHFFFAOYSA-N 1 2 389.858 4.280 20 0 GIADLO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@H](C)c1csc(CC)n1 ZINC000184728893 822683028 /nfs/dbraw/zinc/68/30/28/822683028.db2.gz CXUNLSNFUNKVDL-ZBFHGGJFSA-N 1 2 375.538 4.022 20 0 GIADLO Cc1ccccc1COc1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000180479523 822688779 /nfs/dbraw/zinc/68/87/79/822688779.db2.gz YLUUHLAIDGGKRM-OAQYLSRUSA-N 1 2 390.487 4.467 20 0 GIADLO COc1ccc(Br)cc1C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000184778745 822689860 /nfs/dbraw/zinc/68/98/60/822689860.db2.gz RFHFWKPKASJRIQ-UHFFFAOYSA-N 1 2 386.293 4.432 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc([C@@H]4CCOC4)cc3)CC2)s1 ZINC000455656832 822692868 /nfs/dbraw/zinc/69/28/68/822692868.db2.gz BYPYPGUZWVHMHR-GOSISDBHSA-N 1 2 399.560 4.164 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)c(F)c1)c1nnnn1-c1ccccc1 ZINC000184803360 822692924 /nfs/dbraw/zinc/69/29/24/822692924.db2.gz BIXLSBXFTXGGSR-MRXNPFEDSA-N 1 2 389.434 4.445 20 0 GIADLO COc1ccc(-n2ccn(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)c2=S)cc1 ZINC000184812675 822694599 /nfs/dbraw/zinc/69/45/99/822694599.db2.gz YKXNRBREHDFQBP-JOCHJYFZSA-N 1 2 393.512 4.106 20 0 GIADLO COc1ccc(-n2ccn(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)c2=S)cc1 ZINC000184812675 822694602 /nfs/dbraw/zinc/69/46/02/822694602.db2.gz YKXNRBREHDFQBP-JOCHJYFZSA-N 1 2 393.512 4.106 20 0 GIADLO CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000455666018 822695292 /nfs/dbraw/zinc/69/52/92/822695292.db2.gz VKCGDKWYQMMCNO-REWPJTCUSA-N 1 2 388.515 4.041 20 0 GIADLO FC(F)n1c2ccccc2n(C[N@@H+]2CCSC3(CCOCC3)C2)c1=S ZINC000184831883 822697179 /nfs/dbraw/zinc/69/71/79/822697179.db2.gz VHCXQPKBHSHXDB-UHFFFAOYSA-N 1 2 385.505 4.123 20 0 GIADLO FC(F)n1c2ccccc2n(C[N@H+]2CCSC3(CCOCC3)C2)c1=S ZINC000184831883 822697181 /nfs/dbraw/zinc/69/71/81/822697181.db2.gz VHCXQPKBHSHXDB-UHFFFAOYSA-N 1 2 385.505 4.123 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000184845114 822699394 /nfs/dbraw/zinc/69/93/94/822699394.db2.gz XJDQEHBKNLMVMG-OAHLLOKOSA-N 1 2 379.485 4.131 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ncc(-c2ccccc2)o1 ZINC000184859984 822701862 /nfs/dbraw/zinc/70/18/62/822701862.db2.gz PXCCDEVJTDNYHR-QGZVFWFLSA-N 1 2 390.487 4.231 20 0 GIADLO Cc1cnc(OC(C)C)c(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000455695099 822704430 /nfs/dbraw/zinc/70/44/30/822704430.db2.gz CPZDGZBSUWMHTH-UHFFFAOYSA-N 1 2 385.512 4.098 20 0 GIADLO CC[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(C)c2)no1)c1ccc2c(c1)OCCO2 ZINC000180615385 822713056 /nfs/dbraw/zinc/71/30/56/822713056.db2.gz UQWJNQUMZOLCQN-QGZVFWFLSA-N 1 2 383.423 4.196 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(OCc3ccccc3)cc2)s1 ZINC000184978298 822720894 /nfs/dbraw/zinc/72/08/94/822720894.db2.gz XVHWLEUVCXQHHR-INIZCTEOSA-N 1 2 381.501 4.320 20 0 GIADLO CCc1nc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cs1 ZINC000184997661 822723589 /nfs/dbraw/zinc/72/35/89/822723589.db2.gz OMIWYIKVTUXTHC-AAEUAGOBSA-N 1 2 383.439 4.180 20 0 GIADLO CC[C@H](C)n1c2ccc(NC(=O)NCc3c[nH+]cn3C)cc2nc1C(F)(F)F ZINC000455781091 822725557 /nfs/dbraw/zinc/72/55/57/822725557.db2.gz GLLYBXWNDXTGCI-NSHDSACASA-N 1 2 394.401 4.081 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)COC(c2ccccc2)c2ccccc2)c1C ZINC000050449084 822729669 /nfs/dbraw/zinc/72/96/69/822729669.db2.gz BLMJDHVRMJBHTI-UHFFFAOYSA-N 1 2 390.483 4.129 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)C(C)(C)c2ccc(Br)cc2)c1C ZINC000050448110 822729698 /nfs/dbraw/zinc/72/96/98/822729698.db2.gz XAMIZDKTWIDKNV-UHFFFAOYSA-N 1 2 391.309 4.064 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2ccccc2COc2ccccc2)c1C ZINC000050449517 822729740 /nfs/dbraw/zinc/72/97/40/822729740.db2.gz PKTRRPGNMDPIRC-UHFFFAOYSA-N 1 2 376.456 4.216 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)c1nccs1 ZINC000185062669 822731332 /nfs/dbraw/zinc/73/13/32/822731332.db2.gz SKEBHLFFYSVGKF-LPHOPBHVSA-N 1 2 385.558 4.460 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1nccs1 ZINC000185094431 822736299 /nfs/dbraw/zinc/73/62/99/822736299.db2.gz YBBPROBQIDXPJI-YJBOKZPZSA-N 1 2 389.521 4.290 20 0 GIADLO Cn1c(=S)n(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)nc1-c1ccco1 ZINC000050927971 822742652 /nfs/dbraw/zinc/74/26/52/822742652.db2.gz YDTPNTFXFCDLAE-PKOBYXMFSA-N 1 2 398.532 4.268 20 0 GIADLO Cn1c(=S)n(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)nc1-c1ccco1 ZINC000050927971 822742653 /nfs/dbraw/zinc/74/26/53/822742653.db2.gz YDTPNTFXFCDLAE-PKOBYXMFSA-N 1 2 398.532 4.268 20 0 GIADLO NC(=O)[C@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 ZINC000051187665 822749772 /nfs/dbraw/zinc/74/97/72/822749772.db2.gz CIIHIHLUNJLROM-GOSISDBHSA-N 1 2 385.261 4.025 20 0 GIADLO C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(Br)cc(F)c1O ZINC000185229038 822752051 /nfs/dbraw/zinc/75/20/51/822752051.db2.gz CEUCJYMCWWOOSQ-GFCCVEGCSA-N 1 2 390.256 4.330 20 0 GIADLO Cc1nc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)sc1Cc1ccccc1Cl ZINC000455937792 822753336 /nfs/dbraw/zinc/75/33/36/822753336.db2.gz VBZYTGHVZRXBCK-GFCCVEGCSA-N 1 2 389.912 4.102 20 0 GIADLO CCc1c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)[nH]c(C)c1C(C)=O ZINC000051284184 822754368 /nfs/dbraw/zinc/75/43/68/822754368.db2.gz JGQNXUUMSCZHSM-UHFFFAOYSA-N 1 2 388.537 4.029 20 0 GIADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)Nc1ccc2cnccc2c1 ZINC000455978848 822760866 /nfs/dbraw/zinc/76/08/66/822760866.db2.gz CTFGYXACCBIOLO-HKUYNNGSSA-N 1 2 398.507 4.373 20 0 GIADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)Nc1ccc2cnccc2c1 ZINC000455978848 822760867 /nfs/dbraw/zinc/76/08/67/822760867.db2.gz CTFGYXACCBIOLO-HKUYNNGSSA-N 1 2 398.507 4.373 20 0 GIADLO Cc1cnc([C@@H]([NH2+]Cc2cc3c(cc2Br)OCCO3)C2CC2)s1 ZINC000185299587 822761848 /nfs/dbraw/zinc/76/18/48/822761848.db2.gz SVPDPIUKMRRRMG-INIZCTEOSA-N 1 2 395.322 4.226 20 0 GIADLO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000174304358 822767945 /nfs/dbraw/zinc/76/79/45/822767945.db2.gz NEHQDVNJNNXNNI-RBBKRZOGSA-N 1 2 396.535 4.049 20 0 GIADLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1cn(C)c2ccccc12 ZINC000185343094 822768580 /nfs/dbraw/zinc/76/85/80/822768580.db2.gz UHVCZDDTSRCBOI-SFHVURJKSA-N 1 2 390.531 4.374 20 0 GIADLO CCCOCc1ccccc1CNC(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000051679756 822773446 /nfs/dbraw/zinc/77/34/46/822773446.db2.gz HMJZLUDTNUPYQE-UHFFFAOYSA-N 1 2 380.941 4.076 20 0 GIADLO CCCOCc1ccccc1CNC(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000051679756 822773449 /nfs/dbraw/zinc/77/34/49/822773449.db2.gz HMJZLUDTNUPYQE-UHFFFAOYSA-N 1 2 380.941 4.076 20 0 GIADLO CCOc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc(Cl)c1O ZINC000185380931 822775374 /nfs/dbraw/zinc/77/53/74/822775374.db2.gz GYASBBINUPHJDE-ZDUSSCGKSA-N 1 2 394.924 4.025 20 0 GIADLO CCCOc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cn1 ZINC000185397984 822778703 /nfs/dbraw/zinc/77/87/03/822778703.db2.gz ROGUVHWROSVHLS-LLVKDONJSA-N 1 2 383.261 4.328 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)c2ccc(F)cc2)cn1 ZINC000185447298 822785432 /nfs/dbraw/zinc/78/54/32/822785432.db2.gz MZJBPWGZUCXORM-IBGZPJMESA-N 1 2 393.384 4.380 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@H+]3CCC[C@@H](C)CC3)c2=S)c1 ZINC000052085601 822790200 /nfs/dbraw/zinc/79/02/00/822790200.db2.gz UAUNIFKUBXHSMT-OAHLLOKOSA-N 1 2 399.564 4.319 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@@H+]3CCC[C@@H](C)CC3)c2=S)c1 ZINC000052085601 822790201 /nfs/dbraw/zinc/79/02/01/822790201.db2.gz UAUNIFKUBXHSMT-OAHLLOKOSA-N 1 2 399.564 4.319 20 0 GIADLO COc1ccc(Br)cc1-c1nc(C[N@H+](C)C[C@@H]2CCCO2)cs1 ZINC000052102619 822790310 /nfs/dbraw/zinc/79/03/10/822790310.db2.gz KAQSXGOBXGZFAT-AWEZNQCLSA-N 1 2 397.338 4.192 20 0 GIADLO COc1ccc(Br)cc1-c1nc(C[N@@H+](C)C[C@@H]2CCCO2)cs1 ZINC000052102619 822790312 /nfs/dbraw/zinc/79/03/12/822790312.db2.gz KAQSXGOBXGZFAT-AWEZNQCLSA-N 1 2 397.338 4.192 20 0 GIADLO COc1cc(C)c([C@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2)cc1OC ZINC000052159006 822791779 /nfs/dbraw/zinc/79/17/79/822791779.db2.gz NBYSSLDVIZXJTQ-HNNXBMFYSA-N 1 2 389.459 4.314 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(OC(C)C)cc2F)c1C ZINC000052263599 822795019 /nfs/dbraw/zinc/79/50/19/822795019.db2.gz HWUHIHXGYRAOET-UHFFFAOYSA-N 1 2 375.444 4.297 20 0 GIADLO CC(C)Oc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(F)c1 ZINC000052267254 822795337 /nfs/dbraw/zinc/79/53/37/822795337.db2.gz SIXMGEYFKPDINC-UHFFFAOYSA-N 1 2 377.485 4.024 20 0 GIADLO C[C@H](c1nccs1)N1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000185611142 822801953 /nfs/dbraw/zinc/80/19/53/822801953.db2.gz DTHIFIQEMLHBTI-CQSZACIVSA-N 1 2 387.940 4.065 20 0 GIADLO CCN(C(C)=O)c1nc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3)cc2)cs1 ZINC000174575967 822807258 /nfs/dbraw/zinc/80/72/58/822807258.db2.gz JWWAXRBFGRTAIJ-UHFFFAOYSA-N 1 2 395.528 4.481 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000174581071 822807827 /nfs/dbraw/zinc/80/78/27/822807827.db2.gz OXLYTBRWVXNGTA-LBPRGKRZSA-N 1 2 382.291 4.164 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000174581071 822807829 /nfs/dbraw/zinc/80/78/29/822807829.db2.gz OXLYTBRWVXNGTA-LBPRGKRZSA-N 1 2 382.291 4.164 20 0 GIADLO COc1ccc(N2CC[NH+](Cc3coc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000052797000 822810731 /nfs/dbraw/zinc/81/07/31/822810731.db2.gz OMJAYEVXKNKMND-UHFFFAOYSA-N 1 2 383.879 4.326 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1O ZINC000174622688 822813740 /nfs/dbraw/zinc/81/37/40/822813740.db2.gz OBAMXBSDJLCWKY-NSHDSACASA-N 1 2 383.275 4.167 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1O ZINC000174622688 822813744 /nfs/dbraw/zinc/81/37/44/822813744.db2.gz OBAMXBSDJLCWKY-NSHDSACASA-N 1 2 383.275 4.167 20 0 GIADLO Cc1c(C(=O)Nc2ccccc2-n2cc[nH+]c2)cnn1-c1ccc(Cl)cc1 ZINC000052926473 822815831 /nfs/dbraw/zinc/81/58/31/822815831.db2.gz YLFBUNMFJJNBIF-UHFFFAOYSA-N 1 2 377.835 4.272 20 0 GIADLO CCCOc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1OC ZINC000174655665 822818714 /nfs/dbraw/zinc/81/87/14/822818714.db2.gz UHFGLDYRTMZKIF-OAHLLOKOSA-N 1 2 397.475 4.393 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174664246 822820487 /nfs/dbraw/zinc/82/04/87/822820487.db2.gz OUWCCEVRQWLGFK-YWZLYKJASA-N 1 2 397.450 4.284 20 0 GIADLO C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000174664533 822820577 /nfs/dbraw/zinc/82/05/77/822820577.db2.gz YZHCMJZDIXKMSR-HNNXBMFYSA-N 1 2 386.446 4.016 20 0 GIADLO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)Nc1ccccc1Br ZINC000053231670 822827045 /nfs/dbraw/zinc/82/70/45/822827045.db2.gz AMTYPMKZHYMPSV-UHFFFAOYSA-N 1 2 377.257 4.191 20 0 GIADLO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)Nc1ccccc1Br ZINC000053231670 822827046 /nfs/dbraw/zinc/82/70/46/822827046.db2.gz AMTYPMKZHYMPSV-UHFFFAOYSA-N 1 2 377.257 4.191 20 0 GIADLO Fc1ccc(F)c(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000053266170 822828421 /nfs/dbraw/zinc/82/84/21/822828421.db2.gz RFHYXJVNJGLEDA-UHFFFAOYSA-N 1 2 386.471 4.434 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NC1(Cc2cccc(Cl)c2)CC1 ZINC000456743953 822828925 /nfs/dbraw/zinc/82/89/25/822828925.db2.gz ZLPVEFRPNCYBQZ-UHFFFAOYSA-N 1 2 379.891 4.019 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1cccc(C(C)=O)c1)c1nc(C(F)(F)F)cs1 ZINC000185923872 822834046 /nfs/dbraw/zinc/83/40/46/822834046.db2.gz BKKHMKSFLPQEEH-ZDUSSCGKSA-N 1 2 385.411 4.044 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000185928503 822834598 /nfs/dbraw/zinc/83/45/98/822834598.db2.gz LDDXNQBANKYONB-RNJOBUHISA-N 1 2 377.476 4.096 20 0 GIADLO Cc1cc(C)c(CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)c[nH+]1 ZINC000456831759 822836223 /nfs/dbraw/zinc/83/62/23/822836223.db2.gz DWJIVJMCMHSEKX-GFCCVEGCSA-N 1 2 379.273 4.410 20 0 GIADLO Cc1cc(C)c(CNC(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)c[nH+]1 ZINC000456842399 822837399 /nfs/dbraw/zinc/83/73/99/822837399.db2.gz PFJAHLAALWGGHA-KRWDZBQOSA-N 1 2 375.472 4.173 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)=O)cc1)c1nc(C(F)(F)F)cs1 ZINC000185965552 822838623 /nfs/dbraw/zinc/83/86/23/822838623.db2.gz HVTMZSNFLDQPJX-CYBMUJFWSA-N 1 2 385.411 4.044 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000174810216 822840534 /nfs/dbraw/zinc/84/05/34/822840534.db2.gz OOUTYVNIHQQFLO-UHFFFAOYSA-N 1 2 393.491 4.302 20 0 GIADLO Cc1cc(N)nc(SCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)[nH+]1 ZINC000053562085 822840916 /nfs/dbraw/zinc/84/09/16/822840916.db2.gz RFTUWWRDFVJHQG-IBGZPJMESA-N 1 2 398.919 4.019 20 0 GIADLO CC(C)c1ccc(-c2ncc(C[NH2+][C@@](C)(C(N)=O)c3ccccc3)s2)cc1 ZINC000174837627 822844307 /nfs/dbraw/zinc/84/43/07/822844307.db2.gz LYGUJZMXLOXUFB-JOCHJYFZSA-N 1 2 379.529 4.424 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(F)c(Cl)c3F)CC2)cc1 ZINC000186057529 822847963 /nfs/dbraw/zinc/84/79/63/822847963.db2.gz OYYDEJBVQQLCHW-UHFFFAOYSA-N 1 2 393.865 4.083 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000174861841 822848015 /nfs/dbraw/zinc/84/80/15/822848015.db2.gz VSACEDPIUFSMFA-OXQOHEQNSA-N 1 2 382.483 4.114 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CC=C(c4ccc(C)cc4)CC3)n2)c(OC)c1 ZINC000053813423 822849130 /nfs/dbraw/zinc/84/91/30/822849130.db2.gz IEMBPQLZFBWJGQ-UHFFFAOYSA-N 1 2 391.471 4.352 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CC=C(c4ccc(C)cc4)CC3)n2)c(OC)c1 ZINC000053813423 822849132 /nfs/dbraw/zinc/84/91/32/822849132.db2.gz IEMBPQLZFBWJGQ-UHFFFAOYSA-N 1 2 391.471 4.352 20 0 GIADLO CCC[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)c1cccnc1 ZINC000186100955 822851682 /nfs/dbraw/zinc/85/16/82/822851682.db2.gz JXQCCDXQRWXXLD-MRXNPFEDSA-N 1 2 386.297 4.260 20 0 GIADLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)c(O)c1 ZINC000186101074 822851739 /nfs/dbraw/zinc/85/17/39/822851739.db2.gz XCWRSEMWIQWDFR-LBPRGKRZSA-N 1 2 387.281 4.099 20 0 GIADLO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)c(O)c1 ZINC000186101074 822851741 /nfs/dbraw/zinc/85/17/41/822851741.db2.gz XCWRSEMWIQWDFR-LBPRGKRZSA-N 1 2 387.281 4.099 20 0 GIADLO CCOc1ccccc1CCC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174897015 822852183 /nfs/dbraw/zinc/85/21/83/822852183.db2.gz FWFUZGAORJCWJT-UHFFFAOYSA-N 1 2 395.547 4.178 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000174899838 822852590 /nfs/dbraw/zinc/85/25/90/822852590.db2.gz RYRYTIDCDSCIAX-UHFFFAOYSA-N 1 2 388.515 4.251 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000174907173 822853953 /nfs/dbraw/zinc/85/39/53/822853953.db2.gz BJQBZSKGQWGRFG-QUCCMNQESA-N 1 2 399.485 4.228 20 0 GIADLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000186205645 822860751 /nfs/dbraw/zinc/86/07/51/822860751.db2.gz ZBWKPJDYGCUAJR-VGSWGCGISA-N 1 2 398.503 4.071 20 0 GIADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000457297887 822863886 /nfs/dbraw/zinc/86/38/86/822863886.db2.gz ZJKMQLATYFKUPK-SYYKKAFVSA-N 1 2 375.516 4.298 20 0 GIADLO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)Cc1nc(C(F)(F)F)cs1 ZINC000174987626 822864615 /nfs/dbraw/zinc/86/46/15/822864615.db2.gz TZPMMCIUKVFXAW-UHFFFAOYSA-N 1 2 377.819 4.276 20 0 GIADLO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)Cc1nc(C(F)(F)F)cs1 ZINC000174987626 822864619 /nfs/dbraw/zinc/86/46/19/822864619.db2.gz TZPMMCIUKVFXAW-UHFFFAOYSA-N 1 2 377.819 4.276 20 0 GIADLO Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000568972121 822866506 /nfs/dbraw/zinc/86/65/06/822866506.db2.gz FIPVVWWDHOJQDF-UHFFFAOYSA-N 1 2 375.476 4.115 20 0 GIADLO CCN(C(=O)C[NH2+]C1(c2nccs2)CCCC1)c1nc2ccccc2s1 ZINC000175014079 822867497 /nfs/dbraw/zinc/86/74/97/822867497.db2.gz XDLNUQOHXIZWFM-UHFFFAOYSA-N 1 2 386.546 4.165 20 0 GIADLO Cc1ccc(-c2nc(CC(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)cs2)o1 ZINC000054224073 822869137 /nfs/dbraw/zinc/86/91/37/822869137.db2.gz NNQBCLOLRGUSPN-UHFFFAOYSA-N 1 2 382.420 4.218 20 0 GIADLO c1ccc2c(c1)cccc2Cc1noc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000569035062 822871638 /nfs/dbraw/zinc/87/16/38/822871638.db2.gz KEAWFQKJUVDZKU-UHFFFAOYSA-N 1 2 385.467 4.313 20 0 GIADLO Cc1c(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cnn1-c1ccccc1 ZINC000054277595 822872630 /nfs/dbraw/zinc/87/26/30/822872630.db2.gz TXKSGDINHPLXAM-OAHLLOKOSA-N 1 2 395.532 4.121 20 0 GIADLO Cc1c(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cnn1-c1ccccc1 ZINC000054277595 822872633 /nfs/dbraw/zinc/87/26/33/822872633.db2.gz TXKSGDINHPLXAM-OAHLLOKOSA-N 1 2 395.532 4.121 20 0 GIADLO COc1ccc(-c2nnc(C[NH+]3CCC(C(=O)c4ccc(C)cc4)CC3)o2)cc1 ZINC000054297841 822873770 /nfs/dbraw/zinc/87/37/70/822873770.db2.gz CYTFJNWWRDKJFK-UHFFFAOYSA-N 1 2 391.471 4.149 20 0 GIADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054297751 822873817 /nfs/dbraw/zinc/87/38/17/822873817.db2.gz CQAVOLCTAKSUKQ-GOSISDBHSA-N 1 2 394.515 4.316 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](Cc3nc(-c4ccccc4C)no3)CC2)cc1 ZINC000054296709 822873831 /nfs/dbraw/zinc/87/38/31/822873831.db2.gz LYPRSOVMYBRQIK-UHFFFAOYSA-N 1 2 375.472 4.448 20 0 GIADLO COc1cccc(COc2cccc(Cl)c2C[N@@H+]2CCn3cncc3C2)c1 ZINC000569058482 822875008 /nfs/dbraw/zinc/87/50/08/822875008.db2.gz SJHNONVROGIVNK-UHFFFAOYSA-N 1 2 383.879 4.140 20 0 GIADLO COc1cccc(COc2cccc(Cl)c2C[N@H+]2CCn3cncc3C2)c1 ZINC000569058482 822875013 /nfs/dbraw/zinc/87/50/13/822875013.db2.gz SJHNONVROGIVNK-UHFFFAOYSA-N 1 2 383.879 4.140 20 0 GIADLO CC(C)Oc1ccccc1NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000175063283 822876240 /nfs/dbraw/zinc/87/62/40/822876240.db2.gz DWROVHGBWAYNQT-UHFFFAOYSA-N 1 2 396.535 4.330 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccc3ccccc3c1)C2 ZINC000054390046 822880950 /nfs/dbraw/zinc/88/09/50/822880950.db2.gz HNLCYWHPFITYNG-MRXNPFEDSA-N 1 2 387.483 4.184 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccc3ccccc3c1)C2 ZINC000054390046 822880956 /nfs/dbraw/zinc/88/09/56/822880956.db2.gz HNLCYWHPFITYNG-MRXNPFEDSA-N 1 2 387.483 4.184 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)c1nnc(-c3ccc(C)cc3)o1)C2 ZINC000054390644 822881251 /nfs/dbraw/zinc/88/12/51/822881251.db2.gz UYZJYBDFRAONKG-HNNXBMFYSA-N 1 2 376.460 4.123 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)c1nnc(-c3ccc(C)cc3)o1)C2 ZINC000054390644 822881254 /nfs/dbraw/zinc/88/12/54/822881254.db2.gz UYZJYBDFRAONKG-HNNXBMFYSA-N 1 2 376.460 4.123 20 0 GIADLO O=S1(=O)CC[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c2ccccc21 ZINC000186366254 822882612 /nfs/dbraw/zinc/88/26/12/822882612.db2.gz IKAHQJJQSYGKFU-HXUWFJFHSA-N 1 2 393.512 4.217 20 0 GIADLO CCOc1ccccc1CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000054433898 822885186 /nfs/dbraw/zinc/88/51/86/822885186.db2.gz HFWLJKNZHLGRHY-ROUUACIJSA-N 1 2 397.519 4.016 20 0 GIADLO S=c1n(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)nc2n1CCCCC2 ZINC000054466206 822887769 /nfs/dbraw/zinc/88/77/69/822887769.db2.gz QKDTUYRLGUXVLK-OAHLLOKOSA-N 1 2 383.521 4.119 20 0 GIADLO S=c1n(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)nc2n1CCCCC2 ZINC000054466206 822887774 /nfs/dbraw/zinc/88/77/74/822887774.db2.gz QKDTUYRLGUXVLK-OAHLLOKOSA-N 1 2 383.521 4.119 20 0 GIADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000186432018 822894166 /nfs/dbraw/zinc/89/41/66/822894166.db2.gz FKRWFPHMUIPVCH-UHFFFAOYSA-N 1 2 386.471 4.221 20 0 GIADLO Cc1cc(C(=O)CCC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(C)s1 ZINC000569266301 822898349 /nfs/dbraw/zinc/89/83/49/822898349.db2.gz SOVRWCIRUVLQSU-UHFFFAOYSA-N 1 2 387.549 4.243 20 0 GIADLO COc1cc(NC(=O)C[N@H+](C)Cc2cc3ccccc3o2)c(OC)cc1Cl ZINC000175194526 822901530 /nfs/dbraw/zinc/90/15/30/822901530.db2.gz AGFUMOUDMSDNSM-UHFFFAOYSA-N 1 2 388.851 4.174 20 0 GIADLO COc1cc(NC(=O)C[N@@H+](C)Cc2cc3ccccc3o2)c(OC)cc1Cl ZINC000175194526 822901535 /nfs/dbraw/zinc/90/15/35/822901535.db2.gz AGFUMOUDMSDNSM-UHFFFAOYSA-N 1 2 388.851 4.174 20 0 GIADLO CN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000457691577 822907590 /nfs/dbraw/zinc/90/75/90/822907590.db2.gz YFMYKNPQKCDERM-XZOQPEGZSA-N 1 2 388.515 4.409 20 0 GIADLO CC(C)c1cccc(CC(=O)N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)c1 ZINC000457729007 822911895 /nfs/dbraw/zinc/91/18/95/822911895.db2.gz KBASJYPJSPRVHP-FQEVSTJZSA-N 1 2 397.588 4.322 20 0 GIADLO CC(C)c1cccc(CC(=O)N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)c1 ZINC000457729007 822911897 /nfs/dbraw/zinc/91/18/97/822911897.db2.gz KBASJYPJSPRVHP-FQEVSTJZSA-N 1 2 397.588 4.322 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1ccccc1OC1CCCC1 ZINC000457744579 822913500 /nfs/dbraw/zinc/91/35/00/822913500.db2.gz BYBZMSAWYMBKDJ-UHFFFAOYSA-N 1 2 383.536 4.248 20 0 GIADLO Cc1cccn2cc(Cc3noc(C(C)(C)Cc4nc5ccccc5[nH]4)n3)[nH+]c12 ZINC000569408521 822918429 /nfs/dbraw/zinc/91/84/29/822918429.db2.gz QDSCMQLDSIWENY-UHFFFAOYSA-N 1 2 386.459 4.013 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457778858 822918669 /nfs/dbraw/zinc/91/86/69/822918669.db2.gz TTZRMNXYTHNYGM-MSYCTHLASA-N 1 2 388.515 4.408 20 0 GIADLO CCN(C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccc(OC)cc1 ZINC000569417109 822919965 /nfs/dbraw/zinc/91/99/65/822919965.db2.gz YYINJBOCPFPMPG-OAHLLOKOSA-N 1 2 388.537 4.442 20 0 GIADLO CCN(C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccc(OC)cc1 ZINC000569417109 822919967 /nfs/dbraw/zinc/91/99/67/822919967.db2.gz YYINJBOCPFPMPG-OAHLLOKOSA-N 1 2 388.537 4.442 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cc(Br)cc(F)c1O ZINC000186600672 822921753 /nfs/dbraw/zinc/92/17/53/822921753.db2.gz ADSFKKCKLAZTPG-LLVKDONJSA-N 1 2 382.273 4.372 20 0 GIADLO CCOc1ccc(CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000569462522 822926018 /nfs/dbraw/zinc/92/60/18/822926018.db2.gz YUJUQVONAIBARJ-OAHLLOKOSA-N 1 2 398.894 4.485 20 0 GIADLO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000569538295 822936648 /nfs/dbraw/zinc/93/66/48/822936648.db2.gz XSHNKXSMUSWHRN-UHFFFAOYSA-N 1 2 391.726 4.478 20 0 GIADLO O=C(C[N@H+]1CCCC2(CCOCC2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000569538295 822936650 /nfs/dbraw/zinc/93/66/50/822936650.db2.gz XSHNKXSMUSWHRN-UHFFFAOYSA-N 1 2 391.726 4.478 20 0 GIADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1coc2c1C(=O)CCC2 ZINC000569544859 822937821 /nfs/dbraw/zinc/93/78/21/822937821.db2.gz CTDVVDWOMQAHTC-UHFFFAOYSA-N 1 2 375.428 4.251 20 0 GIADLO CC[C@@H](Cc1ccccc1)N(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175359438 822945494 /nfs/dbraw/zinc/94/54/94/822945494.db2.gz HAAPHDAHXMMWFO-QFIPXVFZSA-N 1 2 390.531 4.137 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)c3cc4ccccc4o3)cn2c1 ZINC000055254668 822948149 /nfs/dbraw/zinc/94/81/49/822948149.db2.gz IIUJRMAEJIWEBF-HNNXBMFYSA-N 1 2 379.485 4.500 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)c3ccc(F)cc3F)cn2c1 ZINC000055254646 822948209 /nfs/dbraw/zinc/94/82/09/822948209.db2.gz HJLJXNZRXXCKHL-ZDUSSCGKSA-N 1 2 375.444 4.032 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000569646305 822949439 /nfs/dbraw/zinc/94/94/39/822949439.db2.gz UXPBEAQKMPFMFY-SFTDATJTSA-N 1 2 378.520 4.207 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(Cl)c1 ZINC000175376914 822951367 /nfs/dbraw/zinc/95/13/67/822951367.db2.gz SJKSKMAIJNMEJG-HAWMADMCSA-N 1 2 392.952 4.326 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(Cl)c1 ZINC000175376914 822951370 /nfs/dbraw/zinc/95/13/70/822951370.db2.gz SJKSKMAIJNMEJG-HAWMADMCSA-N 1 2 392.952 4.326 20 0 GIADLO CCC(=O)Nc1cccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000055388408 822956626 /nfs/dbraw/zinc/95/66/26/822956626.db2.gz KGFRQAGNAVTMAL-UHFFFAOYSA-N 1 2 388.471 4.487 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000186822481 822961327 /nfs/dbraw/zinc/96/13/27/822961327.db2.gz JTYBEBXMRBGVQJ-UHFFFAOYSA-N 1 2 389.499 4.445 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000186822481 822961332 /nfs/dbraw/zinc/96/13/32/822961332.db2.gz JTYBEBXMRBGVQJ-UHFFFAOYSA-N 1 2 389.499 4.445 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000175433179 822967576 /nfs/dbraw/zinc/96/75/76/822967576.db2.gz VEMHCYCIFDBDBR-VGOFRKELSA-N 1 2 392.478 4.363 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3)n2)c(OC)c1 ZINC000055506571 822972600 /nfs/dbraw/zinc/97/26/00/822972600.db2.gz UWHKNNJMEXKUDI-GOSISDBHSA-N 1 2 383.423 4.230 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)n2)c(OC)c1 ZINC000055506571 822972604 /nfs/dbraw/zinc/97/26/04/822972604.db2.gz UWHKNNJMEXKUDI-GOSISDBHSA-N 1 2 383.423 4.230 20 0 GIADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175456523 822973738 /nfs/dbraw/zinc/97/37/38/822973738.db2.gz MUAWGEQOQANDKJ-IBGZPJMESA-N 1 2 378.394 4.237 20 0 GIADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175456523 822973740 /nfs/dbraw/zinc/97/37/40/822973740.db2.gz MUAWGEQOQANDKJ-IBGZPJMESA-N 1 2 378.394 4.237 20 0 GIADLO Cc1cn2cc(NC(=O)N3CCC(c4nc5c(s4)CCCC5)CC3)ccc2[nH+]1 ZINC000569839425 822974762 /nfs/dbraw/zinc/97/47/62/822974762.db2.gz DKNRGHCMVIIQHU-UHFFFAOYSA-N 1 2 395.532 4.390 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000175469089 822976491 /nfs/dbraw/zinc/97/64/91/822976491.db2.gz WRVMFFOYLXDFEE-UHFFFAOYSA-N 1 2 380.423 4.264 20 0 GIADLO Cn1c[nH+]cc1CNC(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000569868226 822978482 /nfs/dbraw/zinc/97/84/82/822978482.db2.gz CNLSUDGJPRXNDA-OAHLLOKOSA-N 1 2 386.805 4.043 20 0 GIADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000569874742 822979060 /nfs/dbraw/zinc/97/90/60/822979060.db2.gz AJNDJSBPVRISNS-NVXWUHKLSA-N 1 2 399.362 4.028 20 0 GIADLO Cc1ccc(C(C)(C)CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000569889041 822980952 /nfs/dbraw/zinc/98/09/52/822980952.db2.gz FEXDCJFJSGAWKO-UHFFFAOYSA-N 1 2 394.563 4.395 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000186931149 822982303 /nfs/dbraw/zinc/98/23/03/822982303.db2.gz BGTPLUQGJZZFQC-QHCPKHFHSA-N 1 2 378.447 4.470 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000186931149 822982304 /nfs/dbraw/zinc/98/23/04/822982304.db2.gz BGTPLUQGJZZFQC-QHCPKHFHSA-N 1 2 378.447 4.470 20 0 GIADLO C[C@@H](CC(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)n1cc[nH+]c1 ZINC000569977146 822992247 /nfs/dbraw/zinc/99/22/47/822992247.db2.gz FWECUDKGTRDBEY-SJCJKPOMSA-N 1 2 394.288 4.393 20 0 GIADLO Cc1ccc(CS(=O)(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000570077226 823003920 /nfs/dbraw/zinc/00/39/20/823003920.db2.gz YTAQSRVULWDJFG-UHFFFAOYSA-N 1 2 381.501 4.137 20 0 GIADLO COc1ccc2occ(-c3nc([C@H]4C[N@H+](Cc5ccccc5)CCO4)no3)c2c1 ZINC000570081775 823004150 /nfs/dbraw/zinc/00/41/50/823004150.db2.gz VULHQZUOJIGBER-HXUWFJFHSA-N 1 2 391.427 4.065 20 0 GIADLO COc1ccc2occ(-c3nc([C@H]4C[N@@H+](Cc5ccccc5)CCO4)no3)c2c1 ZINC000570081775 823004154 /nfs/dbraw/zinc/00/41/54/823004154.db2.gz VULHQZUOJIGBER-HXUWFJFHSA-N 1 2 391.427 4.065 20 0 GIADLO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)s1 ZINC000187082307 823008259 /nfs/dbraw/zinc/00/82/59/823008259.db2.gz AJNYXZWJODGYNZ-UHFFFAOYSA-N 1 2 393.896 4.013 20 0 GIADLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000187088095 823009010 /nfs/dbraw/zinc/00/90/10/823009010.db2.gz VLDPZILBWJTDPM-QRWLVFNGSA-N 1 2 381.863 4.128 20 0 GIADLO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000187091838 823009553 /nfs/dbraw/zinc/00/95/53/823009553.db2.gz FHBBAGIQMBIXDH-GJZGRUSLSA-N 1 2 375.987 4.240 20 0 GIADLO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000187091838 823009559 /nfs/dbraw/zinc/00/95/59/823009559.db2.gz FHBBAGIQMBIXDH-GJZGRUSLSA-N 1 2 375.987 4.240 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCC(c2ccsc2)CC1 ZINC000187129842 823015134 /nfs/dbraw/zinc/01/51/34/823015134.db2.gz NBVRVEGMJMQOJN-UHFFFAOYSA-N 1 2 396.516 4.435 20 0 GIADLO Cc1ccc(C[S@@](=O)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c(C)[nH+]1 ZINC000187138888 823016501 /nfs/dbraw/zinc/01/65/01/823016501.db2.gz ORAJAZXYTVIPAK-HHHXNRCGSA-N 1 2 395.406 4.216 20 0 GIADLO COC[C@H]1CCC[N@H+](Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C1 ZINC000175671203 823016983 /nfs/dbraw/zinc/01/69/83/823016983.db2.gz PJRPGHAUCZMXLE-HNNXBMFYSA-N 1 2 393.940 4.340 20 0 GIADLO COC[C@H]1CCC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C1 ZINC000175671203 823016987 /nfs/dbraw/zinc/01/69/87/823016987.db2.gz PJRPGHAUCZMXLE-HNNXBMFYSA-N 1 2 393.940 4.340 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC2(CCCC2)c2ccccc21 ZINC000175677422 823018242 /nfs/dbraw/zinc/01/82/42/823018242.db2.gz PTSHFNQSWPEFRL-UHFFFAOYSA-N 1 2 386.499 4.473 20 0 GIADLO Cc1cccnc1[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)C(C)C ZINC000175678674 823018616 /nfs/dbraw/zinc/01/86/16/823018616.db2.gz KELWUILGJOVUID-FQEVSTJZSA-N 1 2 394.544 4.263 20 0 GIADLO COCc1cccc(-c2noc([C@H](c3ccccc3)[NH+]3CCSCC3)n2)c1 ZINC000570268447 823021075 /nfs/dbraw/zinc/02/10/75/823021075.db2.gz FDDOBWKOBOTLIE-IBGZPJMESA-N 1 2 381.501 4.021 20 0 GIADLO CC(C)Oc1cccc([C@H](NC2CCN(c3cccc[nH+]3)CC2)C(F)F)c1 ZINC000570270574 823021543 /nfs/dbraw/zinc/02/15/43/823021543.db2.gz XYPANDJKLNXWGW-FQEVSTJZSA-N 1 2 375.463 4.434 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(C(F)(F)F)c1F ZINC000175691867 823021601 /nfs/dbraw/zinc/02/16/01/823021601.db2.gz MJYBMQCZTWNABH-UHFFFAOYSA-N 1 2 381.304 4.099 20 0 GIADLO CCc1cccc(Cc2cnc(NC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)s2)c1 ZINC000570355204 823028322 /nfs/dbraw/zinc/02/83/22/823028322.db2.gz DYWVKXKGNMLPNB-QGZVFWFLSA-N 1 2 395.532 4.051 20 0 GIADLO Cc1cc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc(N2CCCC2)n1 ZINC000570368738 823029969 /nfs/dbraw/zinc/02/99/69/823029969.db2.gz JCFJVCSNYCNYOS-QFIPXVFZSA-N 1 2 395.938 4.256 20 0 GIADLO Cc1cc(-c2ncccc2NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cs1 ZINC000570383169 823031852 /nfs/dbraw/zinc/03/18/52/823031852.db2.gz RVPKIHIKSLEZQQ-UHFFFAOYSA-N 1 2 381.505 4.315 20 0 GIADLO Cc1cscc1NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000570402068 823033112 /nfs/dbraw/zinc/03/31/12/823033112.db2.gz KSYFNWBPZGQPGB-UHFFFAOYSA-N 1 2 393.310 4.139 20 0 GIADLO COc1ccc([C@H](C)CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000175770111 823036168 /nfs/dbraw/zinc/03/61/68/823036168.db2.gz CFHGYBVEJIMFOR-QGZVFWFLSA-N 1 2 379.460 4.103 20 0 GIADLO Cc1cccc(C)c1NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000177917765 823546045 /nfs/dbraw/zinc/54/60/45/823546045.db2.gz VVZHRHOQPGSHHS-UHFFFAOYSA-N 1 2 388.471 4.080 20 0 GIADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+](C)CC(=O)NC(C)C ZINC000411154990 823552361 /nfs/dbraw/zinc/55/23/61/823552361.db2.gz MAYLFFRXSJBKMJ-UHFFFAOYSA-N 1 2 385.455 4.094 20 0 GIADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+](C)CC(=O)NC(C)C ZINC000411154990 823552363 /nfs/dbraw/zinc/55/23/63/823552363.db2.gz MAYLFFRXSJBKMJ-UHFFFAOYSA-N 1 2 385.455 4.094 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(F)c(F)c2)cc1 ZINC000060777677 823556812 /nfs/dbraw/zinc/55/68/12/823556812.db2.gz OOOSFAKKIVRVDF-UHFFFAOYSA-N 1 2 399.441 4.293 20 0 GIADLO Cc1cc(C)c(Br)c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000460997961 823556974 /nfs/dbraw/zinc/55/69/74/823556974.db2.gz CBUZFNSUJSYVIK-UHFFFAOYSA-N 1 2 384.277 4.182 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NCC2(c3cccs3)CCCCC2)c(C)[nH+]1 ZINC000411248838 823560404 /nfs/dbraw/zinc/56/04/04/823560404.db2.gz CDXLQSROLONGAJ-UHFFFAOYSA-N 1 2 385.533 4.025 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCc1ccc(F)cc1C ZINC000124086461 823566468 /nfs/dbraw/zinc/56/64/68/823566468.db2.gz OYGHJSIXCWLKNL-UHFFFAOYSA-N 1 2 398.526 4.020 20 0 GIADLO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)c(OC)c1OC ZINC000124090790 823566831 /nfs/dbraw/zinc/56/68/31/823566831.db2.gz PKNIONOZTYVUBU-ZDUSSCGKSA-N 1 2 385.489 4.082 20 0 GIADLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2nc(-c3cccs3)cs2)n1 ZINC000411376102 823567363 /nfs/dbraw/zinc/56/73/63/823567363.db2.gz SSAOSCSTMDOLPP-UHFFFAOYSA-N 1 2 378.548 4.100 20 0 GIADLO Cc1ncsc1CCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000411402170 823570626 /nfs/dbraw/zinc/57/06/26/823570626.db2.gz SDPCRXAFSLUDKU-MRXNPFEDSA-N 1 2 395.931 4.130 20 0 GIADLO Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC[C@@H](c1cccs1)[NH+](C)C ZINC000061013618 823572968 /nfs/dbraw/zinc/57/29/68/823572968.db2.gz VISWSYQAFVMSEB-KRWDZBQOSA-N 1 2 392.931 4.427 20 0 GIADLO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]CC(C)(C)N(C)C ZINC000061015259 823573148 /nfs/dbraw/zinc/57/31/48/823573148.db2.gz QOMYLECDYCJVIP-UHFFFAOYSA-N 1 2 388.865 4.283 20 0 GIADLO CCC(CC)[C@@H](C(=O)Nc1cccc(-c2ccccc2OC)c1)[NH+]1CCOCC1 ZINC000461083384 823573133 /nfs/dbraw/zinc/57/31/33/823573133.db2.gz FRJRADMJIYQISX-QHCPKHFHSA-N 1 2 396.531 4.438 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000190434037 823573331 /nfs/dbraw/zinc/57/33/31/823573331.db2.gz QMWPBIFWXHFRQH-UHFFFAOYSA-N 1 2 394.903 4.060 20 0 GIADLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccc(F)c(F)c1 ZINC000461105956 823578458 /nfs/dbraw/zinc/57/84/58/823578458.db2.gz DUYSKKLCWYDJMH-HIFRSBDPSA-N 1 2 394.412 4.127 20 0 GIADLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccc(F)c(F)c1 ZINC000461105956 823578460 /nfs/dbraw/zinc/57/84/60/823578460.db2.gz DUYSKKLCWYDJMH-HIFRSBDPSA-N 1 2 394.412 4.127 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@H]1Cc2ccccc21 ZINC000461115201 823580226 /nfs/dbraw/zinc/58/02/26/823580226.db2.gz RWVFOJURSSUMGL-QFIPXVFZSA-N 1 2 389.499 4.041 20 0 GIADLO Cc1ccc(-c2ncc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)s2)c(C)c1 ZINC000061136847 823580199 /nfs/dbraw/zinc/58/01/99/823580199.db2.gz ZWXYHFXNHHHCCC-UHFFFAOYSA-N 1 2 392.528 4.352 20 0 GIADLO CC1(C)C[C@@H]([N@H+](Cc2ccc(S(C)(=O)=O)o2)Cc2ccccc2)C(C)(C)O1 ZINC000411503283 823582010 /nfs/dbraw/zinc/58/20/10/823582010.db2.gz VEQABBRFBVARHZ-GOSISDBHSA-N 1 2 391.533 4.031 20 0 GIADLO CC1(C)C[C@@H]([N@@H+](Cc2ccc(S(C)(=O)=O)o2)Cc2ccccc2)C(C)(C)O1 ZINC000411503283 823582012 /nfs/dbraw/zinc/58/20/12/823582012.db2.gz VEQABBRFBVARHZ-GOSISDBHSA-N 1 2 391.533 4.031 20 0 GIADLO CC[C@H]([NH2+]Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)c1ccc(Cl)s1 ZINC000411516572 823583528 /nfs/dbraw/zinc/58/35/28/823583528.db2.gz YCWCUJDYMCOOGU-LBPRGKRZSA-N 1 2 391.880 4.078 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000190536341 823584249 /nfs/dbraw/zinc/58/42/49/823584249.db2.gz SKRUMFBJBZGIJK-CQSZACIVSA-N 1 2 380.895 4.421 20 0 GIADLO CCOc1ccc(NC(=O)CC[NH2+][C@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000411536924 823586119 /nfs/dbraw/zinc/58/61/19/823586119.db2.gz SBHWKCFYQOPBLL-OAHLLOKOSA-N 1 2 386.496 4.195 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000411583719 823589389 /nfs/dbraw/zinc/58/93/89/823589389.db2.gz DIMOABYHCGHKMA-WOJBJXKFSA-N 1 2 379.504 4.036 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c(C)[nH+]1 ZINC000411593980 823589733 /nfs/dbraw/zinc/58/97/33/823589733.db2.gz OJGTXGKCFSLRQI-FUHWJXTLSA-N 1 2 385.895 4.051 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cc(F)cc(F)c2Br)C[C@@H]1n1cc[nH+]c1 ZINC000190644556 823594582 /nfs/dbraw/zinc/59/45/82/823594582.db2.gz QZCGCGLECBCIBQ-HZMBPMFUSA-N 1 2 399.239 4.039 20 0 GIADLO O=C(c1ccc(Oc2cccc(Br)c2)cc1)N1CCn2c[nH+]cc2C1 ZINC000461187935 823595419 /nfs/dbraw/zinc/59/54/19/823595419.db2.gz CJIMLYYDPNOUPJ-UHFFFAOYSA-N 1 2 398.260 4.094 20 0 GIADLO COc1c(Br)cccc1C[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000124493441 823601197 /nfs/dbraw/zinc/60/11/97/823601197.db2.gz INVYBCUOLVXIHK-UHFFFAOYSA-N 1 2 394.700 4.288 20 0 GIADLO C[C@@H]1Cc2[nH+]cn(Cc3nc(=O)c4c(-c5ccco5)csc4[nH]3)c2C[C@H]1C ZINC000411797544 823605673 /nfs/dbraw/zinc/60/56/73/823605673.db2.gz RUGNIGXJIINSGM-VXGBXAGGSA-N 1 2 380.473 4.273 20 0 GIADLO C[C@@H]1Cc2[nH+]cn(Cc3nc(=O)c4c(-c5ccco5)csc4[nH]3)c2C[C@@H]1C ZINC000411797529 823605767 /nfs/dbraw/zinc/60/57/67/823605767.db2.gz RUGNIGXJIINSGM-NEPJUHHUSA-N 1 2 380.473 4.273 20 0 GIADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000461260491 823607100 /nfs/dbraw/zinc/60/71/00/823607100.db2.gz VVVGBEJFWKQGDO-KRWDZBQOSA-N 1 2 381.442 4.145 20 0 GIADLO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000461266872 823609027 /nfs/dbraw/zinc/60/90/27/823609027.db2.gz XZLJZESABGGUPI-QAPCUYQASA-N 1 2 393.453 4.238 20 0 GIADLO Cc1oncc1C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190798690 823610342 /nfs/dbraw/zinc/61/03/42/823610342.db2.gz QPVGEJIDNMJWFG-HNNXBMFYSA-N 1 2 389.253 4.133 20 0 GIADLO Cc1oncc1C[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190798690 823610344 /nfs/dbraw/zinc/61/03/44/823610344.db2.gz QPVGEJIDNMJWFG-HNNXBMFYSA-N 1 2 389.253 4.133 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnnn1C1CC1 ZINC000190845215 823615714 /nfs/dbraw/zinc/61/57/14/823615714.db2.gz GHSOVXXUUYTOCI-RKDXNWHRSA-N 1 2 393.335 4.457 20 0 GIADLO Fc1ccc(-n2ccc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)n2)cc1 ZINC000412002481 823620678 /nfs/dbraw/zinc/62/06/78/823620678.db2.gz UCOFPTMUVABCKJ-QFIPXVFZSA-N 1 2 377.463 4.365 20 0 GIADLO Fc1ccc(-n2ccc(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)n2)cc1 ZINC000412002481 823620679 /nfs/dbraw/zinc/62/06/79/823620679.db2.gz UCOFPTMUVABCKJ-QFIPXVFZSA-N 1 2 377.463 4.365 20 0 GIADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412003368 823620854 /nfs/dbraw/zinc/62/08/54/823620854.db2.gz XEVNCZSBQHDFTJ-FOIQADDNSA-N 1 2 386.442 4.146 20 0 GIADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412003368 823620855 /nfs/dbraw/zinc/62/08/55/823620855.db2.gz XEVNCZSBQHDFTJ-FOIQADDNSA-N 1 2 386.442 4.146 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2OC(F)F)cc1Cl ZINC000412047007 823624070 /nfs/dbraw/zinc/62/40/70/823624070.db2.gz UBIXIPHSYVTHLC-UHFFFAOYSA-N 1 2 384.810 4.021 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2OC(F)F)cc1Cl ZINC000412047007 823624072 /nfs/dbraw/zinc/62/40/72/823624072.db2.gz UBIXIPHSYVTHLC-UHFFFAOYSA-N 1 2 384.810 4.021 20 0 GIADLO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000412056386 823624552 /nfs/dbraw/zinc/62/45/52/823624552.db2.gz OGKKXYVUUHMAHM-QFIPXVFZSA-N 1 2 393.531 4.368 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000412061893 823625038 /nfs/dbraw/zinc/62/50/38/823625038.db2.gz AMLLVHCZULRGSN-AEFFLSMTSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000412061893 823625041 /nfs/dbraw/zinc/62/50/41/823625041.db2.gz AMLLVHCZULRGSN-AEFFLSMTSA-N 1 2 387.549 4.037 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC2(c3ccccc3)CCC2)C[C@H](C)O1 ZINC000062252000 823626537 /nfs/dbraw/zinc/62/65/37/823626537.db2.gz KLDSRMINWPGCLG-KDURUIRLSA-N 1 2 393.531 4.497 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC2(c3ccccc3)CCC2)C[C@H](C)O1 ZINC000062252000 823626538 /nfs/dbraw/zinc/62/65/38/823626538.db2.gz KLDSRMINWPGCLG-KDURUIRLSA-N 1 2 393.531 4.497 20 0 GIADLO O=C(NCCn1cc[nH+]c1)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000191000358 823636731 /nfs/dbraw/zinc/63/67/31/823636731.db2.gz LUAFOCFQIOEADC-UHFFFAOYSA-N 1 2 376.247 4.074 20 0 GIADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000124944986 823639321 /nfs/dbraw/zinc/63/93/21/823639321.db2.gz HBLAZLHNXDRMBU-KGLIPLIRSA-N 1 2 383.460 4.011 20 0 GIADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000124944986 823639322 /nfs/dbraw/zinc/63/93/22/823639322.db2.gz HBLAZLHNXDRMBU-KGLIPLIRSA-N 1 2 383.460 4.011 20 0 GIADLO Cc1cc(C(F)(F)F)ccc1CNc1ccc[nH+]c1N1CCC(CO)CC1 ZINC000191046846 823641956 /nfs/dbraw/zinc/64/19/56/823641956.db2.gz VIBCSAKXHWJWCG-UHFFFAOYSA-N 1 2 379.426 4.230 20 0 GIADLO CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)NCCc3[nH]cc[nH+]3)c2C1 ZINC000461463869 823642754 /nfs/dbraw/zinc/64/27/54/823642754.db2.gz ILOYVZKJZMFAFW-HNNXBMFYSA-N 1 2 376.504 4.081 20 0 GIADLO O=C(c1ncsc1-c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000062633711 823642869 /nfs/dbraw/zinc/64/28/69/823642869.db2.gz HWFGJJQFDQYMMS-JXMROGBWSA-N 1 2 389.524 4.281 20 0 GIADLO Fc1ccccc1-c1nnc(SCCn2cc[nH+]c2)n1Cc1ccccc1 ZINC000124989385 823643133 /nfs/dbraw/zinc/64/31/33/823643133.db2.gz XHVMFXNHYVROTQ-UHFFFAOYSA-N 1 2 379.464 4.121 20 0 GIADLO CC1(C)C[C@@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc2O1 ZINC000412320049 823646173 /nfs/dbraw/zinc/64/61/73/823646173.db2.gz LKXADXRQEGEQQJ-YLJYHZDGSA-N 1 2 393.531 4.270 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)cs1)c1ccc(Cl)cc1 ZINC000191158688 823654776 /nfs/dbraw/zinc/65/47/76/823654776.db2.gz LRGWIWDBSWARFX-STQMWFEESA-N 1 2 393.940 4.215 20 0 GIADLO COC(=O)c1ccc(C[N@H+](C)Cc2csc(-c3ccccc3OC)n2)cc1 ZINC000125154492 823655511 /nfs/dbraw/zinc/65/55/11/823655511.db2.gz BBEHLIXUIYHABH-UHFFFAOYSA-N 1 2 382.485 4.237 20 0 GIADLO COC(=O)c1ccc(C[N@@H+](C)Cc2csc(-c3ccccc3OC)n2)cc1 ZINC000125154492 823655514 /nfs/dbraw/zinc/65/55/14/823655514.db2.gz BBEHLIXUIYHABH-UHFFFAOYSA-N 1 2 382.485 4.237 20 0 GIADLO COc1cc(CCC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000125160652 823655873 /nfs/dbraw/zinc/65/58/73/823655873.db2.gz TVVRPAJTDZKEHC-HNNXBMFYSA-N 1 2 383.879 4.344 20 0 GIADLO Cn1ncc2c1nc[nH+]c2NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000063254556 823657287 /nfs/dbraw/zinc/65/72/87/823657287.db2.gz ZKHOWYFTKVWKLB-UHFFFAOYSA-N 1 2 375.398 4.306 20 0 GIADLO CCN(C)c1ccc(C[N@H+](CC)CC(=O)Nc2c(Cl)cccc2Cl)cn1 ZINC000191197845 823658627 /nfs/dbraw/zinc/65/86/27/823658627.db2.gz JNPJTASCBJGASQ-UHFFFAOYSA-N 1 2 395.334 4.305 20 0 GIADLO CCN(C)c1ccc(C[N@@H+](CC)CC(=O)Nc2c(Cl)cccc2Cl)cn1 ZINC000191197845 823658628 /nfs/dbraw/zinc/65/86/28/823658628.db2.gz JNPJTASCBJGASQ-UHFFFAOYSA-N 1 2 395.334 4.305 20 0 GIADLO COCCN(C)c1ccc(C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cn1 ZINC000191330617 823672739 /nfs/dbraw/zinc/67/27/39/823672739.db2.gz DLKZUPOXALRBDJ-QFIPXVFZSA-N 1 2 396.922 4.092 20 0 GIADLO CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1ccccn1 ZINC000125399127 823673151 /nfs/dbraw/zinc/67/31/51/823673151.db2.gz IZTTWEKPCMSKDD-OAQYLSRUSA-N 1 2 383.492 4.010 20 0 GIADLO CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1ccccn1 ZINC000125399127 823673153 /nfs/dbraw/zinc/67/31/53/823673153.db2.gz IZTTWEKPCMSKDD-OAQYLSRUSA-N 1 2 383.492 4.010 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412678065 823674001 /nfs/dbraw/zinc/67/40/01/823674001.db2.gz QQTBOSUTOCOZGU-HSZRJFAPSA-N 1 2 385.511 4.270 20 0 GIADLO CC(C)c1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2cnn(C(C)C)c2n1 ZINC000125418555 823674717 /nfs/dbraw/zinc/67/47/17/823674717.db2.gz HNZIMSSEQYSIPZ-UZLBHIALSA-N 1 2 394.523 4.055 20 0 GIADLO Cc1nc(C[NH+]2CCN(c3ccc(O)cc3)CC2)oc1-c1ccc(Cl)cc1 ZINC000125508861 823681584 /nfs/dbraw/zinc/68/15/84/823681584.db2.gz FZCKBTNALPWZPS-UHFFFAOYSA-N 1 2 383.879 4.331 20 0 GIADLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125517940 823682147 /nfs/dbraw/zinc/68/21/47/823682147.db2.gz JBGMAEQMZQSFLU-MRXNPFEDSA-N 1 2 396.539 4.072 20 0 GIADLO CCO[C@H](C)c1nc(C[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cs1 ZINC000125561702 823685429 /nfs/dbraw/zinc/68/54/29/823685429.db2.gz GSICBKUEBOYDBL-LLVKDONJSA-N 1 2 388.459 4.362 20 0 GIADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c1 ZINC000412900109 823690482 /nfs/dbraw/zinc/69/04/82/823690482.db2.gz OTUXNSUUXGWXHP-SFHVURJKSA-N 1 2 397.519 4.155 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000461745565 823690990 /nfs/dbraw/zinc/69/09/90/823690990.db2.gz BFZLIXZNFPYRGK-LBPRGKRZSA-N 1 2 387.427 4.020 20 0 GIADLO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c21 ZINC000125660971 823694495 /nfs/dbraw/zinc/69/44/95/823694495.db2.gz KBLXMUMXKFRIRE-KSSFIOAISA-N 1 2 393.491 4.143 20 0 GIADLO COc1ccccc1-c1csc(C2CC[NH+]([C@H](C)c3nnc(C)o3)CC2)n1 ZINC000191517570 823694612 /nfs/dbraw/zinc/69/46/12/823694612.db2.gz BKFLOCDOSZJDST-CYBMUJFWSA-N 1 2 384.505 4.451 20 0 GIADLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)C3=Cc4ccccc4OC3)c2C1 ZINC000191557548 823699419 /nfs/dbraw/zinc/69/94/19/823699419.db2.gz UFMADTOYLWTNST-MRXNPFEDSA-N 1 2 398.528 4.222 20 0 GIADLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)C3=Cc4ccccc4OC3)c2C1 ZINC000191557548 823699421 /nfs/dbraw/zinc/69/94/21/823699421.db2.gz UFMADTOYLWTNST-MRXNPFEDSA-N 1 2 398.528 4.222 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3c[nH]nc3-c3ccccc3F)n2)c1 ZINC000191564532 823700323 /nfs/dbraw/zinc/70/03/23/823700323.db2.gz ZKQSVLNXFQTEFL-ZDUSSCGKSA-N 1 2 393.422 4.125 20 0 GIADLO CCOc1cccc2cc([C@H](C)Nc3cc(N4CC[C@@H]([C@@H](C)O)C4)nc[nH+]3)oc21 ZINC000413045519 823701518 /nfs/dbraw/zinc/70/15/18/823701518.db2.gz YFURLYXDXGDKDY-ZMSDIMECSA-N 1 2 396.491 4.002 20 0 GIADLO CCOc1cccc2cc([C@H](C)Nc3cc(N4CC[C@@H]([C@@H](C)O)C4)[nH+]cn3)oc21 ZINC000413045519 823701520 /nfs/dbraw/zinc/70/15/20/823701520.db2.gz YFURLYXDXGDKDY-ZMSDIMECSA-N 1 2 396.491 4.002 20 0 GIADLO CCn1c(=S)n(CN2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc1-c1ccc(C)cc1 ZINC000163355641 823703572 /nfs/dbraw/zinc/70/35/72/823703572.db2.gz WFXOUSHUBKQNDQ-PKOBYXMFSA-N 1 2 396.564 4.147 20 0 GIADLO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc(C2CCCCC2)no1 ZINC000191579248 823703753 /nfs/dbraw/zinc/70/37/53/823703753.db2.gz KTMARJGFDKSTNP-ZBFHGGJFSA-N 1 2 378.517 4.167 20 0 GIADLO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000191581708 823704260 /nfs/dbraw/zinc/70/42/60/823704260.db2.gz KCQWQKIREQKLMA-HUUCEWRRSA-N 1 2 386.496 4.194 20 0 GIADLO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191594535 823706362 /nfs/dbraw/zinc/70/63/62/823706362.db2.gz YSMPKQWJSXRCLU-CABCVRRESA-N 1 2 398.894 4.382 20 0 GIADLO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nc(Cc2ccccc2)no1 ZINC000191596085 823707007 /nfs/dbraw/zinc/70/70/07/823707007.db2.gz JOYHZCGZMRCQQE-AWEZNQCLSA-N 1 2 377.423 4.040 20 0 GIADLO C[C@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000413112542 823709062 /nfs/dbraw/zinc/70/90/62/823709062.db2.gz VJUMEUVJUWBGPU-SWLSCSKDSA-N 1 2 396.919 4.133 20 0 GIADLO CC(C)(C)OC(=O)c1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000574402843 823720255 /nfs/dbraw/zinc/72/02/55/823720255.db2.gz TZPILLBKWOPQOR-UHFFFAOYSA-N 1 2 391.471 4.068 20 0 GIADLO CC(C)c1nc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cs1 ZINC000191645777 823723042 /nfs/dbraw/zinc/72/30/42/823723042.db2.gz HCYAVJUUINOURJ-DYVFJYSZSA-N 1 2 393.503 4.387 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)C[C@H](C)O1 ZINC000413184635 823723525 /nfs/dbraw/zinc/72/35/25/823723525.db2.gz YOVMSYGUIDBCSP-OITUCODZSA-N 1 2 382.479 4.119 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)C[C@H](C)O1 ZINC000413184635 823723528 /nfs/dbraw/zinc/72/35/28/823723528.db2.gz YOVMSYGUIDBCSP-OITUCODZSA-N 1 2 382.479 4.119 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N2CCSC3(CCOCC3)C2)c1 ZINC000413229651 823734093 /nfs/dbraw/zinc/73/40/93/823734093.db2.gz LRIIMUFIKSWDMH-UHFFFAOYSA-N 1 2 379.323 4.100 20 0 GIADLO C[C@@H]1CN(c2[nH+]ccc3cc(Br)ccc32)C[C@]2(CCO[C@H](C)C2)O1 ZINC000413261289 823740571 /nfs/dbraw/zinc/74/05/71/823740571.db2.gz DSESYHNDAWURHR-PJIJBLCYSA-N 1 2 391.309 4.160 20 0 GIADLO CC1(C)CN(c2[nH+]ccc3cc(Br)ccc32)C[C@]2(CCCOC2)O1 ZINC000413264017 823741212 /nfs/dbraw/zinc/74/12/12/823741212.db2.gz IXLFEZHFYYWOOT-IBGZPJMESA-N 1 2 391.309 4.162 20 0 GIADLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Br ZINC000125912450 823742473 /nfs/dbraw/zinc/74/24/73/823742473.db2.gz ZYOLBGZBOCSLPG-AWEZNQCLSA-N 1 2 396.350 4.354 20 0 GIADLO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Br ZINC000125912450 823742478 /nfs/dbraw/zinc/74/24/78/823742478.db2.gz ZYOLBGZBOCSLPG-AWEZNQCLSA-N 1 2 396.350 4.354 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc(F)c4ccccc43)[nH+]cn2)C1 ZINC000413295179 823747227 /nfs/dbraw/zinc/74/72/27/823747227.db2.gz GTAGKXFCYSUWOK-HRCADAONSA-N 1 2 380.467 4.149 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc(F)c4ccccc43)nc[nH+]2)C1 ZINC000413295179 823747232 /nfs/dbraw/zinc/74/72/32/823747232.db2.gz GTAGKXFCYSUWOK-HRCADAONSA-N 1 2 380.467 4.149 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CC4(CCCCC4)[C@H]3c3ccccc3)n2)nn1 ZINC000574498488 823749568 /nfs/dbraw/zinc/74/95/68/823749568.db2.gz MDTVUQAFUIIBMU-HXUWFJFHSA-N 1 2 391.475 4.043 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CC4(CCCCC4)[C@H]3c3ccccc3)n2)nn1 ZINC000574498488 823749570 /nfs/dbraw/zinc/74/95/70/823749570.db2.gz MDTVUQAFUIIBMU-HXUWFJFHSA-N 1 2 391.475 4.043 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000191774961 823763336 /nfs/dbraw/zinc/76/33/36/823763336.db2.gz DQRDRZOEHQXVPL-UHFFFAOYSA-N 1 2 387.509 4.008 20 0 GIADLO C[C@H]1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000126002785 823763959 /nfs/dbraw/zinc/76/39/59/823763959.db2.gz LDESNCIWQOVPID-YOEHRIQHSA-N 1 2 377.410 4.043 20 0 GIADLO Cc1cc(Br)ccc1Cc1noc([C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000574555526 823764263 /nfs/dbraw/zinc/76/42/63/823764263.db2.gz CYEFCIHDQCHQLA-GOSISDBHSA-N 1 2 386.293 4.382 20 0 GIADLO Cc1ccc(C)c(-n2cnc3cc(C(=O)N4CCC(n5cc[nH+]c5)CC4)ccc32)c1 ZINC000191801212 823772846 /nfs/dbraw/zinc/77/28/46/823772846.db2.gz WTZSKEQNPONRAB-UHFFFAOYSA-N 1 2 399.498 4.316 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(C)c2O)n1 ZINC000191823961 823784241 /nfs/dbraw/zinc/78/42/41/823784241.db2.gz JRYMIQBYTYEEDA-HNNXBMFYSA-N 1 2 380.897 4.324 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(C)c2O)n1 ZINC000191823961 823784247 /nfs/dbraw/zinc/78/42/47/823784247.db2.gz JRYMIQBYTYEEDA-HNNXBMFYSA-N 1 2 380.897 4.324 20 0 GIADLO CC(C)[C@@H]1C[C@@H](CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000574635367 823786989 /nfs/dbraw/zinc/78/69/89/823786989.db2.gz IEHNLJUGZMUFIW-UWJYYQICSA-N 1 2 380.536 4.288 20 0 GIADLO Clc1cc(Br)ccc1[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)C1CC1 ZINC000574643765 823788669 /nfs/dbraw/zinc/78/86/69/823788669.db2.gz MTEHDWXKFLBHDU-OAHLLOKOSA-N 1 2 381.705 4.339 20 0 GIADLO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ncc(-c2ccccc2)o1 ZINC000574658404 823792649 /nfs/dbraw/zinc/79/26/49/823792649.db2.gz WURZYWWKEFYRTP-LTBCBRHQSA-N 1 2 397.425 4.242 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000191843148 823793797 /nfs/dbraw/zinc/79/37/97/823793797.db2.gz VXIUGSPDCDDRGW-UHFFFAOYSA-N 1 2 399.539 4.374 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(F)cc1Br ZINC000191849263 823795143 /nfs/dbraw/zinc/79/51/43/823795143.db2.gz ZLQWGBIACFAAQL-UHFFFAOYSA-N 1 2 397.292 4.291 20 0 GIADLO C[C@H]([NH2+]Cc1cncnc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000126134249 823796054 /nfs/dbraw/zinc/79/60/54/823796054.db2.gz KQROQZGULVNDDN-NSHDSACASA-N 1 2 375.295 4.213 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc(O)ccc1Cl ZINC000574676202 823797808 /nfs/dbraw/zinc/79/78/08/823797808.db2.gz VEKBJVZNBVRHOX-UHFFFAOYSA-N 1 2 399.903 4.313 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc(O)ccc1Cl ZINC000574676202 823797815 /nfs/dbraw/zinc/79/78/15/823797815.db2.gz VEKBJVZNBVRHOX-UHFFFAOYSA-N 1 2 399.903 4.313 20 0 GIADLO c1[nH]c2ccccc2c1-c1noc([C@@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000574675519 823798037 /nfs/dbraw/zinc/79/80/37/823798037.db2.gz DOYWVEYYEWYXDL-LJQANCHMSA-N 1 2 376.485 4.356 20 0 GIADLO CC[C@H](Sc1ccccc1)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126171298 823805078 /nfs/dbraw/zinc/80/50/78/823805078.db2.gz HSMYGTMZGBRFDO-NRFANRHFSA-N 1 2 384.545 4.337 20 0 GIADLO CCO[C@@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccccc1 ZINC000413654945 823811561 /nfs/dbraw/zinc/81/15/61/823811561.db2.gz MBQOYRBZISCZHW-FCHUYYIVSA-N 1 2 377.488 4.135 20 0 GIADLO COc1cccc(C[N@@H+](CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]2CCCO2)c1 ZINC000064400454 823812348 /nfs/dbraw/zinc/81/23/48/823812348.db2.gz VQPMPCRLHYOFRH-QFIPXVFZSA-N 1 2 396.531 4.240 20 0 GIADLO COc1cccc(C[N@H+](CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]2CCCO2)c1 ZINC000064400454 823812350 /nfs/dbraw/zinc/81/23/50/823812350.db2.gz VQPMPCRLHYOFRH-QFIPXVFZSA-N 1 2 396.531 4.240 20 0 GIADLO COc1ccc(C2(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)CCCCC2)cc1 ZINC000126208910 823812713 /nfs/dbraw/zinc/81/27/13/823812713.db2.gz MIFZVEUZOSFUKL-RXVVDRJESA-N 1 2 381.520 4.203 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(-c2ccccc2C)nn1C ZINC000191935115 823816010 /nfs/dbraw/zinc/81/60/10/823816010.db2.gz ACPXDJKZMRLVDM-UHFFFAOYSA-N 1 2 394.523 4.099 20 0 GIADLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000164821040 823821815 /nfs/dbraw/zinc/82/18/15/823821815.db2.gz CZXXDRYEVGRVRX-HNNXBMFYSA-N 1 2 397.397 4.071 20 0 GIADLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000164821040 823821821 /nfs/dbraw/zinc/82/18/21/823821821.db2.gz CZXXDRYEVGRVRX-HNNXBMFYSA-N 1 2 397.397 4.071 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000413712084 823823396 /nfs/dbraw/zinc/82/33/96/823823396.db2.gz LFTKIOJXEKIWGL-ZHALLVOQSA-N 1 2 386.927 4.299 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)o1 ZINC000126263232 823824006 /nfs/dbraw/zinc/82/40/06/823824006.db2.gz UWDMZUHGDKYPLA-UHFFFAOYSA-N 1 2 380.467 4.184 20 0 GIADLO CCCCn1c(SCC2CCC3(CC2)OCCO3)nnc1[C@@H](CC)[NH+](C)C ZINC000191977223 823829880 /nfs/dbraw/zinc/82/98/80/823829880.db2.gz MXQOBKSWCMBFNI-QGZVFWFLSA-N 1 2 396.601 4.116 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000126288540 823830619 /nfs/dbraw/zinc/83/06/19/823830619.db2.gz GNLVDOBKAFKJSB-UHFFFAOYSA-N 1 2 393.314 4.315 20 0 GIADLO CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000462112978 823831686 /nfs/dbraw/zinc/83/16/86/823831686.db2.gz QKOSQDZGHQGLKX-HXUWFJFHSA-N 1 2 385.895 4.292 20 0 GIADLO CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c(Cl)c1 ZINC000462112978 823831693 /nfs/dbraw/zinc/83/16/93/823831693.db2.gz QKOSQDZGHQGLKX-HXUWFJFHSA-N 1 2 385.895 4.292 20 0 GIADLO CN(C)c1nc(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)cs1 ZINC000126299409 823833803 /nfs/dbraw/zinc/83/38/03/823833803.db2.gz FDRJADADPNQQHF-UHFFFAOYSA-N 1 2 383.565 4.041 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000192043896 823842649 /nfs/dbraw/zinc/84/26/49/823842649.db2.gz YWRWRCLFXVJQSK-NQIIRXRSSA-N 1 2 383.879 4.242 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccn(-c3cccc(F)c3)n2)c1 ZINC000064555600 823843427 /nfs/dbraw/zinc/84/34/27/823843427.db2.gz KNOLVHNYYSMFKM-OAQYLSRUSA-N 1 2 381.451 4.366 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccn(-c3cccc(F)c3)n2)c1 ZINC000064555600 823843430 /nfs/dbraw/zinc/84/34/30/823843430.db2.gz KNOLVHNYYSMFKM-OAQYLSRUSA-N 1 2 381.451 4.366 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3ccn(-c4cccc(F)c4)n3)CC2)cc1 ZINC000064556057 823843590 /nfs/dbraw/zinc/84/35/90/823843590.db2.gz BJAMFCTWCMQTCY-UHFFFAOYSA-N 1 2 393.462 4.115 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000126362661 823849139 /nfs/dbraw/zinc/84/91/39/823849139.db2.gz OTOMCIMRWILZBC-UHFFFAOYSA-N 1 2 378.516 4.278 20 0 GIADLO CCOCC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(Cl)c(Cl)c1 ZINC000064620604 823853403 /nfs/dbraw/zinc/85/34/03/823853403.db2.gz DWNVEQCHBMBSDN-UHFFFAOYSA-N 1 2 386.275 4.412 20 0 GIADLO CCOCC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(Cl)c(Cl)c1 ZINC000064620604 823853407 /nfs/dbraw/zinc/85/34/07/823853407.db2.gz DWNVEQCHBMBSDN-UHFFFAOYSA-N 1 2 386.275 4.412 20 0 GIADLO CCc1cc(O)ccc1NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000192091609 823857183 /nfs/dbraw/zinc/85/71/83/823857183.db2.gz QJFHVPWUNOAMIS-IYBDPMFKSA-N 1 2 383.492 4.208 20 0 GIADLO CCc1cc(O)ccc1NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000192091609 823857188 /nfs/dbraw/zinc/85/71/88/823857188.db2.gz QJFHVPWUNOAMIS-IYBDPMFKSA-N 1 2 383.492 4.208 20 0 GIADLO COc1cc(C2(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)CCCC2)ccc1C ZINC000126410830 823859985 /nfs/dbraw/zinc/85/99/85/823859985.db2.gz AXGTYTGNLRLTBC-XLIONFOSSA-N 1 2 381.520 4.122 20 0 GIADLO Fc1cc([C@@H]2OCC[C@H]2[NH2+]Cc2nc(Cc3ccccc3)no2)ccc1Cl ZINC000192104506 823861141 /nfs/dbraw/zinc/86/11/41/823861141.db2.gz ISDQUDGCNMFGNX-XLIONFOSSA-N 1 2 387.842 4.073 20 0 GIADLO COc1cccc(C[NH2+][C@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)c1OC ZINC000165963884 823867411 /nfs/dbraw/zinc/86/74/11/823867411.db2.gz ARRSTWFIADGJQA-CYBMUJFWSA-N 1 2 386.883 4.097 20 0 GIADLO COc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(Cl)c(OC)c1 ZINC000413927813 823867992 /nfs/dbraw/zinc/86/79/92/823867992.db2.gz BASJHYDWTTXURM-SFHVURJKSA-N 1 2 388.895 4.350 20 0 GIADLO COc1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c(Cl)c(OC)c1 ZINC000413927813 823867997 /nfs/dbraw/zinc/86/79/97/823867997.db2.gz BASJHYDWTTXURM-SFHVURJKSA-N 1 2 388.895 4.350 20 0 GIADLO C[C@@H]1C[C@]2(CCO1)C[N@@H+]([C@H](C(=O)Nc1ccccc1)c1ccccc1)C[C@H](C)O2 ZINC000574953432 823870221 /nfs/dbraw/zinc/87/02/21/823870221.db2.gz QYPLMHBSSDHAHL-KFELQJHASA-N 1 2 394.515 4.025 20 0 GIADLO C[C@@H]1C[C@]2(CCO1)C[N@H+]([C@H](C(=O)Nc1ccccc1)c1ccccc1)C[C@H](C)O2 ZINC000574953432 823870223 /nfs/dbraw/zinc/87/02/23/823870223.db2.gz QYPLMHBSSDHAHL-KFELQJHASA-N 1 2 394.515 4.025 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@]3(CCOC3)C2)cs1)c1cccc(C)c1C ZINC000166372854 823876928 /nfs/dbraw/zinc/87/69/28/823876928.db2.gz KAHDQKSCUFXMEZ-NRFANRHFSA-N 1 2 385.533 4.057 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@]3(CCOC3)C2)cs1)c1cccc(C)c1C ZINC000166372854 823876936 /nfs/dbraw/zinc/87/69/36/823876936.db2.gz KAHDQKSCUFXMEZ-NRFANRHFSA-N 1 2 385.533 4.057 20 0 GIADLO Cc1ccc([C@@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C ZINC000064754836 823881122 /nfs/dbraw/zinc/88/11/22/823881122.db2.gz SAXTVBYIDDXBER-NRFANRHFSA-N 1 2 378.520 4.345 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cs1)c1cccc(C)c1C ZINC000166733096 823881760 /nfs/dbraw/zinc/88/17/60/823881760.db2.gz ZVNGWTDYNHJOJA-WIYYLYMNSA-N 1 2 399.560 4.445 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cs1)c1cccc(C)c1C ZINC000166733096 823881767 /nfs/dbraw/zinc/88/17/67/823881767.db2.gz ZVNGWTDYNHJOJA-WIYYLYMNSA-N 1 2 399.560 4.445 20 0 GIADLO COc1cccc([C@@H]([NH2+]CC(=O)N2CCCC[C@H]2C)c2ccccc2Cl)c1 ZINC000462245283 823894368 /nfs/dbraw/zinc/89/43/68/823894368.db2.gz IAWKRAJYPSZEAS-OPAMFIHVSA-N 1 2 386.923 4.429 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(N3CCCCC3)nc2)CC1 ZINC000462247315 823896171 /nfs/dbraw/zinc/89/61/71/823896171.db2.gz NGKMJYHHEHGXIH-KRWDZBQOSA-N 1 2 399.564 4.044 20 0 GIADLO Cn1cncc1CNc1[nH+]c2cc(Br)ccc2n1Cc1ccccc1 ZINC000167831327 823896440 /nfs/dbraw/zinc/89/64/40/823896440.db2.gz MWXNROFIFOGXTR-UHFFFAOYSA-N 1 2 396.292 4.193 20 0 GIADLO Cc1ccn(-c2ccccc2NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1 ZINC000462285215 823912169 /nfs/dbraw/zinc/91/21/69/823912169.db2.gz GNHCLKFXJYOTCC-KRWDZBQOSA-N 1 2 395.532 4.153 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccnc(OC3CCC(C)CC3)c2)s1 ZINC000414110640 823912471 /nfs/dbraw/zinc/91/24/71/823912471.db2.gz IIWFFZGTSCKXQJ-BBBYJDLNSA-N 1 2 389.521 4.133 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(-c2ccccc2)nc1C ZINC000192247082 823915395 /nfs/dbraw/zinc/91/53/95/823915395.db2.gz XZIFMHCQNOQIEA-UHFFFAOYSA-N 1 2 376.504 4.368 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cncc(-c2ccc(OC)cc2)c1 ZINC000192250303 823917166 /nfs/dbraw/zinc/91/71/66/823917166.db2.gz HNWHFILWAHTABU-UHFFFAOYSA-N 1 2 392.503 4.069 20 0 GIADLO C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1csc(-c2ccccc2)n1 ZINC000414138380 823917566 /nfs/dbraw/zinc/91/75/66/823917566.db2.gz GUFCXCXGDYPEGG-IRXDYDNUSA-N 1 2 395.528 4.471 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000192255460 823918611 /nfs/dbraw/zinc/91/86/11/823918611.db2.gz GFTXNNYDCVWUDE-UHFFFAOYSA-N 1 2 377.916 4.195 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000192256262 823918957 /nfs/dbraw/zinc/91/89/57/823918957.db2.gz DPZIHEZKVZYCRC-UHFFFAOYSA-N 1 2 388.821 4.065 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000462308178 823919503 /nfs/dbraw/zinc/91/95/03/823919503.db2.gz ISIBBFPUQLRZFP-AWEZNQCLSA-N 1 2 397.466 4.355 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000192259348 823919959 /nfs/dbraw/zinc/91/99/59/823919959.db2.gz RZVKULYKCWPHEM-UHFFFAOYSA-N 1 2 382.533 4.045 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C2SCCS2)cc1 ZINC000192260081 823920666 /nfs/dbraw/zinc/92/06/66/823920666.db2.gz FCVMCMWXAVDCII-UHFFFAOYSA-N 1 2 389.590 4.477 20 0 GIADLO C[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1cc2ccccc2o1 ZINC000575139423 823921351 /nfs/dbraw/zinc/92/13/51/823921351.db2.gz SGISODMBYWMSFC-WMZOPIPTSA-N 1 2 377.488 4.475 20 0 GIADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000170652727 823927236 /nfs/dbraw/zinc/92/72/36/823927236.db2.gz VOHBMBJIPHYEPN-MRXNPFEDSA-N 1 2 388.537 4.036 20 0 GIADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000170652727 823927247 /nfs/dbraw/zinc/92/72/47/823927247.db2.gz VOHBMBJIPHYEPN-MRXNPFEDSA-N 1 2 388.537 4.036 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000192278756 823930206 /nfs/dbraw/zinc/93/02/06/823930206.db2.gz IXDWGSJWZVEDJF-NRFANRHFSA-N 1 2 380.492 4.250 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000192280647 823930914 /nfs/dbraw/zinc/93/09/14/823930914.db2.gz PVQCAQMKEWACKP-QGZVFWFLSA-N 1 2 390.528 4.243 20 0 GIADLO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000126715893 823934146 /nfs/dbraw/zinc/93/41/46/823934146.db2.gz JRYKTUMLYFRSDP-UHFFFAOYSA-N 1 2 397.881 4.375 20 0 GIADLO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000126715893 823934154 /nfs/dbraw/zinc/93/41/54/823934154.db2.gz JRYKTUMLYFRSDP-UHFFFAOYSA-N 1 2 397.881 4.375 20 0 GIADLO COc1cc(OC)cc(C2(F)CC[NH+]([C@H](C)c3nc(C(C)(C)C)no3)CC2)c1 ZINC000575198523 823936707 /nfs/dbraw/zinc/93/67/07/823936707.db2.gz MQBUADNRVWEMFP-CQSZACIVSA-N 1 2 391.487 4.406 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)cc1Br ZINC000414239156 823937006 /nfs/dbraw/zinc/93/70/06/823937006.db2.gz KRZYAGSUNJDGMK-VIFPVBQESA-N 1 2 390.203 4.117 20 0 GIADLO CC[C@H](C)[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000575218077 823942969 /nfs/dbraw/zinc/94/29/69/823942969.db2.gz QJNTYEBLEMRUGW-JKSUJKDBSA-N 1 2 392.341 4.357 20 0 GIADLO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000414263170 823945113 /nfs/dbraw/zinc/94/51/13/823945113.db2.gz SJNWEJXLYWNLLS-SNVBAGLBSA-N 1 2 379.304 4.287 20 0 GIADLO CC(C)c1c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cnn1-c1ccccc1 ZINC000192334944 823949865 /nfs/dbraw/zinc/94/98/65/823949865.db2.gz CPCYKFHUPPVJKZ-UHFFFAOYSA-N 1 2 378.480 4.061 20 0 GIADLO COc1cc(F)c(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1F ZINC000126834940 823962680 /nfs/dbraw/zinc/96/26/80/823962680.db2.gz BDCUYIRIGXQGFA-UYAOXDASSA-N 1 2 398.413 4.220 20 0 GIADLO CCOc1ccc([C@H](NCc2c[nH+]c(N(C)C)n2C)c2cccc(Cl)c2)cc1 ZINC000414371031 823967511 /nfs/dbraw/zinc/96/75/11/823967511.db2.gz XTGKJEVTCFYHOK-NRFANRHFSA-N 1 2 398.938 4.417 20 0 GIADLO C[C@H](CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1)n1cc[nH+]c1 ZINC000575410495 823967892 /nfs/dbraw/zinc/96/78/92/823967892.db2.gz VIDOEZKSVACZFK-HUUCEWRRSA-N 1 2 388.899 4.141 20 0 GIADLO CC[C@@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)CC(F)(F)F ZINC000414401077 823971976 /nfs/dbraw/zinc/97/19/76/823971976.db2.gz DTMGFXLEWAHRLT-GFCCVEGCSA-N 1 2 378.464 4.229 20 0 GIADLO Cc1nc(C)c(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000575637037 823981948 /nfs/dbraw/zinc/98/19/48/823981948.db2.gz CNXNBHUEAMPZFP-GJZGRUSLSA-N 1 2 382.892 4.119 20 0 GIADLO Cc1nc(C)c(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000575637037 823981949 /nfs/dbraw/zinc/98/19/49/823981949.db2.gz CNXNBHUEAMPZFP-GJZGRUSLSA-N 1 2 382.892 4.119 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1cnccc1C(C)(C)C ZINC000414500140 823996586 /nfs/dbraw/zinc/99/65/86/823996586.db2.gz PSAIKBZWUDHQDG-UHFFFAOYSA-N 1 2 380.941 4.116 20 0 GIADLO CCOc1cc(C[NH2+]Cc2nccc(C(F)(F)F)n2)ccc1OCC(C)C ZINC000414510087 823998570 /nfs/dbraw/zinc/99/85/70/823998570.db2.gz UANSWRPSVIIHRL-UHFFFAOYSA-N 1 2 383.414 4.219 20 0 GIADLO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NCCCn1cc[nH+]c1 ZINC000575810617 824001573 /nfs/dbraw/zinc/00/15/73/824001573.db2.gz RANXOVOMOILOIV-QGZVFWFLSA-N 1 2 396.457 4.249 20 0 GIADLO Fc1cccc(Br)c1C[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000192474462 824004963 /nfs/dbraw/zinc/00/49/63/824004963.db2.gz UGLNJNRSIBLZSA-UHFFFAOYSA-N 1 2 393.178 4.214 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1[nH]c2ccccc2c1Br ZINC000127047401 824006787 /nfs/dbraw/zinc/00/67/87/824006787.db2.gz ZIRBVKPGCFCAPV-UHFFFAOYSA-N 1 2 395.260 4.046 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000575840808 824009996 /nfs/dbraw/zinc/00/99/96/824009996.db2.gz BPTKDXYPDNBVBO-IBGZPJMESA-N 1 2 377.835 4.294 20 0 GIADLO O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000192494174 824010398 /nfs/dbraw/zinc/01/03/98/824010398.db2.gz OLSOKRVHGFFSAM-FQEVSTJZSA-N 1 2 387.439 4.127 20 0 GIADLO CCOc1cc(C[NH2+]Cc2nnc(C3CC3)s2)ccc1OCC(F)(F)F ZINC000414553172 824010390 /nfs/dbraw/zinc/01/03/90/824010390.db2.gz IEJUTMOWLYFYSH-UHFFFAOYSA-N 1 2 387.427 4.045 20 0 GIADLO CC(C)CCOCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000127068957 824011016 /nfs/dbraw/zinc/01/10/16/824011016.db2.gz CJXCESJDGFOLEH-HNNXBMFYSA-N 1 2 380.533 4.184 20 0 GIADLO CCc1nc(CNC2CC[NH+](Cc3cccc(Br)c3)CC2)cs1 ZINC000414584667 824016369 /nfs/dbraw/zinc/01/63/69/824016369.db2.gz JOSNMBADNVMKBV-UHFFFAOYSA-N 1 2 394.382 4.222 20 0 GIADLO C[C@H]1C[C@@H](c2ccccc2)N(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000575905964 824025329 /nfs/dbraw/zinc/02/53/29/824025329.db2.gz KDBITCOUMIOMFJ-KKSFZXQISA-N 1 2 378.451 4.304 20 0 GIADLO O=C(Cn1cc[nH+]c1)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000575909302 824026971 /nfs/dbraw/zinc/02/69/71/824026971.db2.gz XRQKHQVZLVYOQR-UHFFFAOYSA-N 1 2 376.243 4.299 20 0 GIADLO O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171007511 824035433 /nfs/dbraw/zinc/03/54/33/824035433.db2.gz OMNXITNCIINJQM-UHFFFAOYSA-N 1 2 394.862 4.014 20 0 GIADLO CCOc1ccc(-c2noc(C[N@H+](C)Cc3cc(OC)c(OC)cc3C)n2)cc1 ZINC000192607970 824044415 /nfs/dbraw/zinc/04/44/15/824044415.db2.gz QJFKAZNKSPIXHF-UHFFFAOYSA-N 1 2 397.475 4.093 20 0 GIADLO CCOc1ccc(-c2noc(C[N@@H+](C)Cc3cc(OC)c(OC)cc3C)n2)cc1 ZINC000192607970 824044420 /nfs/dbraw/zinc/04/44/20/824044420.db2.gz QJFKAZNKSPIXHF-UHFFFAOYSA-N 1 2 397.475 4.093 20 0 GIADLO FC(F)n1ccnc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000171039104 824044542 /nfs/dbraw/zinc/04/45/42/824044542.db2.gz OETRZSIMBNQGLY-ZDUSSCGKSA-N 1 2 393.825 4.361 20 0 GIADLO FC(F)n1ccnc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000171039104 824044543 /nfs/dbraw/zinc/04/45/43/824044543.db2.gz OETRZSIMBNQGLY-ZDUSSCGKSA-N 1 2 393.825 4.361 20 0 GIADLO COc1cc(SC)ccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000192650235 824055747 /nfs/dbraw/zinc/05/57/47/824055747.db2.gz HJPPBVRHUYDXQH-UHFFFAOYSA-N 1 2 386.521 4.124 20 0 GIADLO Cc1ccc2nc(-c3cccs3)cc(C(=O)NCCCn3cc[nH+]c3)c2c1 ZINC000027976993 208930039 /nfs/dbraw/zinc/93/00/39/208930039.db2.gz BOHCNUZQPHVRDG-UHFFFAOYSA-N 1 2 376.485 4.288 20 0 GIADLO Cc1ccc(-n2cc(C[N@@H+](C)Cc3cnccn3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015063520 221327332 /nfs/dbraw/zinc/32/73/32/221327332.db2.gz GSFKAQHDYOTABW-UHFFFAOYSA-N 1 2 387.462 4.409 20 0 GIADLO Cc1ccc(-n2cc(C[N@H+](C)Cc3cnccn3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015063520 221327335 /nfs/dbraw/zinc/32/73/35/221327335.db2.gz GSFKAQHDYOTABW-UHFFFAOYSA-N 1 2 387.462 4.409 20 0 GIADLO C[C@@H]1C[C@H](NC(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c2[nH+]ccn21 ZINC000333197820 570735247 /nfs/dbraw/zinc/73/52/47/570735247.db2.gz QBADVXNQCJPNBR-YJYMSZOUSA-N 1 2 381.455 4.099 20 0 GIADLO Cc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncc1Cl ZINC001164671239 719500113 /nfs/dbraw/zinc/50/01/13/719500113.db2.gz DAVUTRGNCXPJQB-UHFFFAOYSA-N 1 2 389.902 4.054 20 0 GIADLO Cc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncc1Cl ZINC001164671239 719500121 /nfs/dbraw/zinc/50/01/21/719500121.db2.gz DAVUTRGNCXPJQB-UHFFFAOYSA-N 1 2 389.902 4.054 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccc(F)cc1Cl ZINC000175837976 823051937 /nfs/dbraw/zinc/05/19/37/823051937.db2.gz XSZLSCKTUOCKEW-BBRMVZONSA-N 1 2 382.888 4.067 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccc(F)cc1Cl ZINC000175837976 823051942 /nfs/dbraw/zinc/05/19/42/823051942.db2.gz XSZLSCKTUOCKEW-BBRMVZONSA-N 1 2 382.888 4.067 20 0 GIADLO Cc1cccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1Br ZINC000120764894 823059630 /nfs/dbraw/zinc/05/96/30/823059630.db2.gz KMLTVKPTWMXHKR-UHFFFAOYSA-N 1 2 385.265 4.265 20 0 GIADLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000175871456 823060301 /nfs/dbraw/zinc/06/03/01/823060301.db2.gz YOZQLKNGSHAOGQ-AWEZNQCLSA-N 1 2 390.528 4.120 20 0 GIADLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c(Br)c1OC ZINC000055903327 823064208 /nfs/dbraw/zinc/06/42/08/823064208.db2.gz RFZRVJACUKROHL-ZDUSSCGKSA-N 1 2 381.270 4.100 20 0 GIADLO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)no2)c(Br)c1OC ZINC000055903327 823064212 /nfs/dbraw/zinc/06/42/12/823064212.db2.gz RFZRVJACUKROHL-ZDUSSCGKSA-N 1 2 381.270 4.100 20 0 GIADLO C[C@@H]1CN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC2(CCC2)O1 ZINC000570630587 823064499 /nfs/dbraw/zinc/06/44/99/823064499.db2.gz CZMRNVDOQNCZGA-MRXNPFEDSA-N 1 2 380.492 4.062 20 0 GIADLO C[C@@H](CC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)n1cc[nH+]c1 ZINC000570635512 823065099 /nfs/dbraw/zinc/06/50/99/823065099.db2.gz KJHQFCUOEQVWLC-ZDUSSCGKSA-N 1 2 386.908 4.196 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000120799123 823066380 /nfs/dbraw/zinc/06/63/80/823066380.db2.gz IQNLRLZVCHSVOA-UHFFFAOYSA-N 1 2 388.458 4.318 20 0 GIADLO O=C(CCCOc1ccc(Cl)cc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000120816512 823070191 /nfs/dbraw/zinc/07/01/91/823070191.db2.gz UDHVMARJRPATQM-UHFFFAOYSA-N 1 2 382.291 4.213 20 0 GIADLO Cc1ccc(C[N@H+](CCO)Cc2c(C)cc(C)nc2OCc2ccccc2)o1 ZINC000570689243 823072339 /nfs/dbraw/zinc/07/23/39/823072339.db2.gz KBEJRNTUDQYXHJ-UHFFFAOYSA-N 1 2 380.488 4.173 20 0 GIADLO Cc1ccc(C[N@@H+](CCO)Cc2c(C)cc(C)nc2OCc2ccccc2)o1 ZINC000570689243 823072346 /nfs/dbraw/zinc/07/23/46/823072346.db2.gz KBEJRNTUDQYXHJ-UHFFFAOYSA-N 1 2 380.488 4.173 20 0 GIADLO C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1c(F)cccc1Cl ZINC000175933060 823076068 /nfs/dbraw/zinc/07/60/68/823076068.db2.gz LDOHPPOYQHSRMB-CQSZACIVSA-N 1 2 386.858 4.284 20 0 GIADLO C(=C/c1ccccc1-n1cccn1)\c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000570724979 823076398 /nfs/dbraw/zinc/07/63/98/823076398.db2.gz YWXISKVOOWHSPK-MDZDMXLPSA-N 1 2 380.411 4.278 20 0 GIADLO CO[C@H](C)c1noc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2Br)n1 ZINC000570744168 823079794 /nfs/dbraw/zinc/07/97/94/823079794.db2.gz FIVNZWLQVLSUOL-UKRRQHHQSA-N 1 2 394.313 4.137 20 0 GIADLO CO[C@H](C)c1noc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2Br)n1 ZINC000570744168 823079801 /nfs/dbraw/zinc/07/98/01/823079801.db2.gz FIVNZWLQVLSUOL-UKRRQHHQSA-N 1 2 394.313 4.137 20 0 GIADLO O=C(Nc1ccc(-c2ccco2)cc1F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000570774162 823085690 /nfs/dbraw/zinc/08/56/90/823085690.db2.gz PNMJIXPWBLRLCH-UHFFFAOYSA-N 1 2 385.464 4.497 20 0 GIADLO COc1cccc(-c2ccc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)c1 ZINC000176020721 823097727 /nfs/dbraw/zinc/09/77/27/823097727.db2.gz DHOXWSPNZNKNIT-UHFFFAOYSA-N 1 2 390.487 4.105 20 0 GIADLO CCC[C@@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1F ZINC000120963655 823093808 /nfs/dbraw/zinc/09/38/08/823093808.db2.gz NOMOMXMYFDGUKD-DNVCBOLYSA-N 1 2 390.478 4.204 20 0 GIADLO CCN(Cc1ccccc1C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176007881 823094445 /nfs/dbraw/zinc/09/44/45/823094445.db2.gz XXXONIBADMXRSE-UHFFFAOYSA-N 1 2 394.563 4.262 20 0 GIADLO CN(C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CCC(F)(F)CC1 ZINC000458872633 823099954 /nfs/dbraw/zinc/09/99/54/823099954.db2.gz BFABAXZXKCBOKN-UHFFFAOYSA-N 1 2 382.842 4.245 20 0 GIADLO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000176035134 823102074 /nfs/dbraw/zinc/10/20/74/823102074.db2.gz SXZCBPQNNRPWKR-IBGZPJMESA-N 1 2 383.879 4.059 20 0 GIADLO C[C@@H](F)CCNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000458901145 823103908 /nfs/dbraw/zinc/10/39/08/823103908.db2.gz YAICUEQNQLILIO-CQSZACIVSA-N 1 2 384.858 4.026 20 0 GIADLO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000458977129 823112579 /nfs/dbraw/zinc/11/25/79/823112579.db2.gz BZBUZWWFLJSWLJ-QGZVFWFLSA-N 1 2 376.863 4.243 20 0 GIADLO Fc1cc2cccnc2c(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000121079143 823114572 /nfs/dbraw/zinc/11/45/72/823114572.db2.gz MLVQAWHEHJGHQA-UHFFFAOYSA-N 1 2 386.474 4.371 20 0 GIADLO Cc1cccc(-n2c(=S)n(C[N@H+](C)C[C@@H]3CCOC3)nc2-c2ccccc2)c1 ZINC000176097432 823119274 /nfs/dbraw/zinc/11/92/74/823119274.db2.gz VNBGZHCGNWPWLC-SFHVURJKSA-N 1 2 394.544 4.305 20 0 GIADLO Cc1cccc(-n2c(=S)n(C[N@@H+](C)C[C@@H]3CCOC3)nc2-c2ccccc2)c1 ZINC000176097432 823119276 /nfs/dbraw/zinc/11/92/76/823119276.db2.gz VNBGZHCGNWPWLC-SFHVURJKSA-N 1 2 394.544 4.305 20 0 GIADLO C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000570995013 823117243 /nfs/dbraw/zinc/11/72/43/823117243.db2.gz OQZXJMAYIROVOJ-AWEZNQCLSA-N 1 2 383.879 4.390 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)[C@H]2CCSC2)cs1)c1cccc(Cl)c1 ZINC000121095854 823117460 /nfs/dbraw/zinc/11/74/60/823117460.db2.gz MZFUIPRLERQNNW-INIZCTEOSA-N 1 2 381.954 4.418 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)[C@H]2CCSC2)cs1)c1cccc(Cl)c1 ZINC000121095854 823117464 /nfs/dbraw/zinc/11/74/64/823117464.db2.gz MZFUIPRLERQNNW-INIZCTEOSA-N 1 2 381.954 4.418 20 0 GIADLO C[NH+](C)[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045966 823124615 /nfs/dbraw/zinc/12/46/15/823124615.db2.gz QTIPYAKEIKVFDV-XZOQPEGZSA-N 1 2 381.539 4.215 20 0 GIADLO C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045966 823124619 /nfs/dbraw/zinc/12/46/19/823124619.db2.gz QTIPYAKEIKVFDV-XZOQPEGZSA-N 1 2 381.539 4.215 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N1CCc2sccc2C1 ZINC000121132922 823123977 /nfs/dbraw/zinc/12/39/77/823123977.db2.gz FJGLBHZNOAPKRT-AWEZNQCLSA-N 1 2 377.579 4.214 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N1CCc2sccc2C1 ZINC000121132922 823123980 /nfs/dbraw/zinc/12/39/80/823123980.db2.gz FJGLBHZNOAPKRT-AWEZNQCLSA-N 1 2 377.579 4.214 20 0 GIADLO Cc1[nH]c2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)cc2[nH+]1 ZINC000056309655 823125011 /nfs/dbraw/zinc/12/50/11/823125011.db2.gz QHVPJLXDPCQICK-MRXNPFEDSA-N 1 2 391.475 4.062 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c[nH+]1 ZINC000459083463 823125421 /nfs/dbraw/zinc/12/54/21/823125421.db2.gz SPQCQRFDUWBEGH-GOSISDBHSA-N 1 2 375.925 4.352 20 0 GIADLO Cc1cn2c(nc(C)c2-c2noc([C@@H](c3ccc(Cl)cc3)[NH+](C)C)n2)s1 ZINC000571061384 823126623 /nfs/dbraw/zinc/12/66/23/823126623.db2.gz XOQARDGRKSTCES-OAHLLOKOSA-N 1 2 387.896 4.367 20 0 GIADLO C[C@@H](CNC(=O)CCSc1ccnc2cc(Cl)ccc21)Cn1cc[nH+]c1 ZINC000176121077 823127057 /nfs/dbraw/zinc/12/70/57/823127057.db2.gz OLTXROUODHMBKO-AWEZNQCLSA-N 1 2 388.924 4.019 20 0 GIADLO CC[C@@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@@H](CC)O1 ZINC000571070708 823127871 /nfs/dbraw/zinc/12/78/71/823127871.db2.gz VGEXNGPGDJNKCL-QZTJIDSGSA-N 1 2 380.492 4.023 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)o1 ZINC000121161617 823130141 /nfs/dbraw/zinc/13/01/41/823130141.db2.gz AJDJCZNNAOXCLS-UHFFFAOYSA-N 1 2 388.471 4.490 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)[C@@H]2CCSC2)cs1)c1ccc(C)c(C)c1 ZINC000121158735 823129755 /nfs/dbraw/zinc/12/97/55/823129755.db2.gz KEVNLJHLAXNECR-GOSISDBHSA-N 1 2 375.563 4.382 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)[C@@H]2CCSC2)cs1)c1ccc(C)c(C)c1 ZINC000121158735 823129757 /nfs/dbraw/zinc/12/97/57/823129757.db2.gz KEVNLJHLAXNECR-GOSISDBHSA-N 1 2 375.563 4.382 20 0 GIADLO C[C@@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(-c2cccnc2)cc1 ZINC000571116049 823134480 /nfs/dbraw/zinc/13/44/80/823134480.db2.gz RVKSXKOQFRJZRY-QGZVFWFLSA-N 1 2 389.503 4.184 20 0 GIADLO CCc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cn1 ZINC000571124363 823136377 /nfs/dbraw/zinc/13/63/77/823136377.db2.gz VGTNWRVLOQVCJZ-UHFFFAOYSA-N 1 2 389.499 4.332 20 0 GIADLO CCc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cn1 ZINC000571124363 823136380 /nfs/dbraw/zinc/13/63/80/823136380.db2.gz VGTNWRVLOQVCJZ-UHFFFAOYSA-N 1 2 389.499 4.332 20 0 GIADLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cn3ccc(Br)cc3n2)s1 ZINC000571131939 823138139 /nfs/dbraw/zinc/13/81/39/823138139.db2.gz PIEPJSLBOGWMDD-LLVKDONJSA-N 1 2 379.327 4.363 20 0 GIADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cn3ccc(Br)cc3n2)s1 ZINC000571131939 823138144 /nfs/dbraw/zinc/13/81/44/823138144.db2.gz PIEPJSLBOGWMDD-LLVKDONJSA-N 1 2 379.327 4.363 20 0 GIADLO CCCN(C(=O)NCCc1cn(C)c[nH+]1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000459191537 823140919 /nfs/dbraw/zinc/14/09/19/823140919.db2.gz XVHWFZWVUISJIE-CYBMUJFWSA-N 1 2 383.323 4.452 20 0 GIADLO COc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OCc1cccs1 ZINC000121255122 823148748 /nfs/dbraw/zinc/14/87/48/823148748.db2.gz ZCYSERFHMCHSMS-QGZVFWFLSA-N 1 2 383.517 4.438 20 0 GIADLO COc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OCc1cccs1 ZINC000121255122 823148752 /nfs/dbraw/zinc/14/87/52/823148752.db2.gz ZCYSERFHMCHSMS-QGZVFWFLSA-N 1 2 383.517 4.438 20 0 GIADLO O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000176196265 823149879 /nfs/dbraw/zinc/14/98/79/823149879.db2.gz LMJSHHDHTJUELN-HDICACEKSA-N 1 2 377.463 4.282 20 0 GIADLO O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000176196265 823149881 /nfs/dbraw/zinc/14/98/81/823149881.db2.gz LMJSHHDHTJUELN-HDICACEKSA-N 1 2 377.463 4.282 20 0 GIADLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121262547 823150263 /nfs/dbraw/zinc/15/02/63/823150263.db2.gz QEKFGSGFKXOEEJ-MRXNPFEDSA-N 1 2 397.548 4.364 20 0 GIADLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121262547 823150268 /nfs/dbraw/zinc/15/02/68/823150268.db2.gz QEKFGSGFKXOEEJ-MRXNPFEDSA-N 1 2 397.548 4.364 20 0 GIADLO CCc1cnc(C[N@@H+](Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)s1 ZINC000571219894 823150657 /nfs/dbraw/zinc/15/06/57/823150657.db2.gz AZOMYGWDDMIQOS-UHFFFAOYSA-N 1 2 387.597 4.452 20 0 GIADLO CCc1cnc(C[N@H+](Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)s1 ZINC000571219894 823150660 /nfs/dbraw/zinc/15/06/60/823150660.db2.gz AZOMYGWDDMIQOS-UHFFFAOYSA-N 1 2 387.597 4.452 20 0 GIADLO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000187888041 823152986 /nfs/dbraw/zinc/15/29/86/823152986.db2.gz YHIUNTMHROTFSP-LJQANCHMSA-N 1 2 396.934 4.137 20 0 GIADLO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000187888041 823152987 /nfs/dbraw/zinc/15/29/87/823152987.db2.gz YHIUNTMHROTFSP-LJQANCHMSA-N 1 2 396.934 4.137 20 0 GIADLO O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121295953 823157169 /nfs/dbraw/zinc/15/71/69/823157169.db2.gz FJGDHKBGFXITKI-HXUWFJFHSA-N 1 2 379.847 4.091 20 0 GIADLO O=C(Cc1c[nH]c2cc(F)ccc12)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000571294119 823161350 /nfs/dbraw/zinc/16/13/50/823161350.db2.gz RJPWMZUSKQHAAB-UHFFFAOYSA-N 1 2 382.826 4.005 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000056531745 823163461 /nfs/dbraw/zinc/16/34/61/823163461.db2.gz QKVUGTWXTYWSJR-UHFFFAOYSA-N 1 2 392.793 4.449 20 0 GIADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459337853 823164509 /nfs/dbraw/zinc/16/45/09/823164509.db2.gz BVJCFFOILSKZTH-MRECJMOMSA-N 1 2 387.545 4.032 20 0 GIADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459337853 823164511 /nfs/dbraw/zinc/16/45/11/823164511.db2.gz BVJCFFOILSKZTH-MRECJMOMSA-N 1 2 387.545 4.032 20 0 GIADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459337855 823164588 /nfs/dbraw/zinc/16/45/88/823164588.db2.gz BVJCFFOILSKZTH-PMBGHPPTSA-N 1 2 387.545 4.032 20 0 GIADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459337855 823164590 /nfs/dbraw/zinc/16/45/90/823164590.db2.gz BVJCFFOILSKZTH-PMBGHPPTSA-N 1 2 387.545 4.032 20 0 GIADLO Cc1nnc(SCc2ccc(-n3cc[nH+]c3)cc2)n1CCc1cccs1 ZINC000187972269 823165859 /nfs/dbraw/zinc/16/58/59/823165859.db2.gz FPYPVIQHIGIFIZ-UHFFFAOYSA-N 1 2 381.530 4.369 20 0 GIADLO CSc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000056553802 823168148 /nfs/dbraw/zinc/16/81/48/823168148.db2.gz YIWCGVHXMTVDIB-UHFFFAOYSA-N 1 2 376.551 4.173 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000056585948 823174965 /nfs/dbraw/zinc/17/49/65/823174965.db2.gz YFIUOIODLRXIDE-UHFFFAOYSA-N 1 2 375.432 4.293 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@H](C)c2ccccc2-c2ccc(Cl)cc2)n1 ZINC000459380395 823177772 /nfs/dbraw/zinc/17/77/72/823177772.db2.gz BJOKTSVJUDYSGJ-CYBMUJFWSA-N 1 2 385.851 4.418 20 0 GIADLO COc1ccc([C@@H](C)CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000176308232 823178227 /nfs/dbraw/zinc/17/82/27/823178227.db2.gz XFNIDBQFINPAOM-SFHVURJKSA-N 1 2 381.520 4.281 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccccc1N1CCc2ccccc21 ZINC000056602644 823178687 /nfs/dbraw/zinc/17/86/87/823178687.db2.gz CCSUFKWLFOVCHG-UHFFFAOYSA-N 1 2 375.476 4.179 20 0 GIADLO C[C@@H]([NH2+]Cc1cccc(O)c1Br)c1cccc(N2CCCC2=O)c1 ZINC000459395984 823182513 /nfs/dbraw/zinc/18/25/13/823182513.db2.gz PZBMUIFZFABHKZ-CYBMUJFWSA-N 1 2 389.293 4.132 20 0 GIADLO C[C@H]1[C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCN1c1ccccc1 ZINC000571445002 823183539 /nfs/dbraw/zinc/18/35/39/823183539.db2.gz PTTSQDNWUXSZGK-LAUBAEHRSA-N 1 2 385.471 4.364 20 0 GIADLO O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000571473540 823188121 /nfs/dbraw/zinc/18/81/21/823188121.db2.gz QEHGPFASTYFHFP-OAQYLSRUSA-N 1 2 389.503 4.050 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2CCc3cc(F)ccc32)C[C@H](C)O1 ZINC000056661903 823191974 /nfs/dbraw/zinc/19/19/74/823191974.db2.gz MJSNFYNPUFVEBV-ZMPRRUGASA-N 1 2 397.494 4.244 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2CCc3cc(F)ccc32)C[C@H](C)O1 ZINC000056661903 823191979 /nfs/dbraw/zinc/19/19/79/823191979.db2.gz MJSNFYNPUFVEBV-ZMPRRUGASA-N 1 2 397.494 4.244 20 0 GIADLO Cc1ccc(Sc2ncccc2C(=O)NC[C@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000176390322 823196543 /nfs/dbraw/zinc/19/65/43/823196543.db2.gz DDJFTOVCMUKCGN-INIZCTEOSA-N 1 2 380.517 4.112 20 0 GIADLO CC[NH+](CC)[C@H](CNc1c(C(=O)[O-])c[nH+]c2c(OC)cccc12)c1ccco1 ZINC000571566286 823201486 /nfs/dbraw/zinc/20/14/86/823201486.db2.gz QAANMUGNKJJLLX-MRXNPFEDSA-N 1 2 383.448 4.030 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)NCc3ccccc3-n3cc[nH+]c3)c2)oc1C ZINC000056739660 823204132 /nfs/dbraw/zinc/20/41/32/823204132.db2.gz CJBFLVHGHMAUQO-UHFFFAOYSA-N 1 2 387.443 4.466 20 0 GIADLO C[C@@H](c1ccc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1)C(F)(F)F ZINC000459500842 823205369 /nfs/dbraw/zinc/20/53/69/823205369.db2.gz HTUYZCHGZORMHY-KBPBESRZSA-N 1 2 397.466 4.155 20 0 GIADLO C[C@@H](c1ccc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1)C(F)(F)F ZINC000459500842 823205374 /nfs/dbraw/zinc/20/53/74/823205374.db2.gz HTUYZCHGZORMHY-KBPBESRZSA-N 1 2 397.466 4.155 20 0 GIADLO Fc1ccc([C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)c2ncc[nH]2)cc1 ZINC000188235488 823207286 /nfs/dbraw/zinc/20/72/86/823207286.db2.gz JNMYLDKNWSZTCC-OAHLLOKOSA-N 1 2 381.238 4.009 20 0 GIADLO COCc1cc(C[NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)no1 ZINC000459525918 823211575 /nfs/dbraw/zinc/21/15/75/823211575.db2.gz JRDVNTPHAZHMNP-UHFFFAOYSA-N 1 2 384.398 4.131 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(C(F)(F)F)ccc1F ZINC000121594058 823212755 /nfs/dbraw/zinc/21/27/55/823212755.db2.gz JHMNVOFMVHTEMY-UHFFFAOYSA-N 1 2 377.341 4.019 20 0 GIADLO CCOc1ccc([C@H](COC)[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000459533404 823213705 /nfs/dbraw/zinc/21/37/05/823213705.db2.gz XTKWMRIDDGYRST-INIZCTEOSA-N 1 2 380.282 4.031 20 0 GIADLO COC(=O)c1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1c(C)cccc1C(C)C)C2 ZINC000459539124 823215371 /nfs/dbraw/zinc/21/53/71/823215371.db2.gz PKUBGNRBPFDJNO-QGZVFWFLSA-N 1 2 394.515 4.290 20 0 GIADLO COC(=O)c1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1c(C)cccc1C(C)C)C2 ZINC000459539124 823215376 /nfs/dbraw/zinc/21/53/76/823215376.db2.gz PKUBGNRBPFDJNO-QGZVFWFLSA-N 1 2 394.515 4.290 20 0 GIADLO S=c1oc(-c2cc3ccccc3o2)nn1CN1CCC(n2cc[nH+]c2)CC1 ZINC000176487947 823219420 /nfs/dbraw/zinc/21/94/20/823219420.db2.gz LSTDEOULJMWWHS-UHFFFAOYSA-N 1 2 381.461 4.110 20 0 GIADLO COCc1nc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cs1 ZINC000409448735 823221190 /nfs/dbraw/zinc/22/11/90/823221190.db2.gz GTFPLSIQLOIPQT-SNVBAGLBSA-N 1 2 377.457 4.144 20 0 GIADLO COCc1nc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cs1 ZINC000409448735 823221192 /nfs/dbraw/zinc/22/11/92/823221192.db2.gz GTFPLSIQLOIPQT-SNVBAGLBSA-N 1 2 377.457 4.144 20 0 GIADLO CCO[C@@H]1C[C@@H]([NH2+]Cc2noc(-c3cccs3)n2)[C@H]1Sc1ccccc1 ZINC000459567483 823222088 /nfs/dbraw/zinc/22/20/88/823222088.db2.gz IMOFVYQUMXQYHO-IIDMSEBBSA-N 1 2 387.530 4.226 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000571709830 823222741 /nfs/dbraw/zinc/22/27/41/823222741.db2.gz WBABOGNDXJPVBD-HXUWFJFHSA-N 1 2 385.471 4.373 20 0 GIADLO O=C(CSCc1coc(-c2ccccc2)n1)Nc1ccccc1-n1cc[nH+]c1 ZINC000056867244 823225604 /nfs/dbraw/zinc/22/56/04/823225604.db2.gz XIQGLFLGOAUBRN-UHFFFAOYSA-N 1 2 390.468 4.399 20 0 GIADLO C[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000409463567 823225766 /nfs/dbraw/zinc/22/57/66/823225766.db2.gz FOCWYDRXJQNLPZ-OAHLLOKOSA-N 1 2 387.405 4.370 20 0 GIADLO CC(C)Cn1ncc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1C(F)F ZINC000571728233 823226031 /nfs/dbraw/zinc/22/60/31/823226031.db2.gz JEZJUCJPCCFDPA-UHFFFAOYSA-N 1 2 384.390 4.379 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1[nH]c2ccc(F)cc2c1Cl ZINC000056872635 823226472 /nfs/dbraw/zinc/22/64/72/823226472.db2.gz PBZXIQCLYJIJMP-UHFFFAOYSA-N 1 2 382.826 4.135 20 0 GIADLO CO[C@H](C)c1nc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658930 823242943 /nfs/dbraw/zinc/24/29/43/823242943.db2.gz JMWSHDKBVOVDEJ-OCCSQVGLSA-N 1 2 378.460 4.032 20 0 GIADLO CO[C@H](C)c1nc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658930 823242950 /nfs/dbraw/zinc/24/29/50/823242950.db2.gz JMWSHDKBVOVDEJ-OCCSQVGLSA-N 1 2 378.460 4.032 20 0 GIADLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176594089 823243788 /nfs/dbraw/zinc/24/37/88/823243788.db2.gz TVGUGLROMVEXDR-KRWDZBQOSA-N 1 2 375.476 4.053 20 0 GIADLO CCOC[C@H]1CCCC[N@@H+]1Cc1csc(COc2ccc(OC)cc2)n1 ZINC000459670154 823247107 /nfs/dbraw/zinc/24/71/07/823247107.db2.gz FBKUPPQVEXQOIS-QGZVFWFLSA-N 1 2 376.522 4.122 20 0 GIADLO CCOC[C@H]1CCCC[N@H+]1Cc1csc(COc2ccc(OC)cc2)n1 ZINC000459670154 823247111 /nfs/dbraw/zinc/24/71/11/823247111.db2.gz FBKUPPQVEXQOIS-QGZVFWFLSA-N 1 2 376.522 4.122 20 0 GIADLO COc1cc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc(OC)c1Cl ZINC000459682115 823249562 /nfs/dbraw/zinc/24/95/62/823249562.db2.gz SFSDOCAVRZAVRM-UHFFFAOYSA-N 1 2 393.871 4.042 20 0 GIADLO CC(C)(C)c1nnc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)[nH]1 ZINC000459704886 823253924 /nfs/dbraw/zinc/25/39/24/823253924.db2.gz MLLPBDGKRFPCFU-UHFFFAOYSA-N 1 2 392.532 4.306 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@@H]1c1ccccc1Cl ZINC000121799595 823254022 /nfs/dbraw/zinc/25/40/22/823254022.db2.gz QHYCOARPZQJKRD-LJQANCHMSA-N 1 2 384.911 4.382 20 0 GIADLO COc1cc(Br)c(CNc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000121831342 823259236 /nfs/dbraw/zinc/25/92/36/823259236.db2.gz RCNCVTBAMLTPSZ-UHFFFAOYSA-N 1 2 388.265 4.264 20 0 GIADLO Cc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000121835709 823259909 /nfs/dbraw/zinc/25/99/09/823259909.db2.gz YZNVTADBOHUJQM-UHFFFAOYSA-N 1 2 382.467 4.232 20 0 GIADLO CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000176685243 823267374 /nfs/dbraw/zinc/26/73/74/823267374.db2.gz PSHDUXIXPNOXQW-GOSISDBHSA-N 1 2 382.504 4.257 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000176685164 823267383 /nfs/dbraw/zinc/26/73/83/823267383.db2.gz KZHBCDHVDFIWFX-CQSZACIVSA-N 1 2 378.925 4.284 20 0 GIADLO CCc1nc(C)c(CNC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)o1 ZINC000572115358 823285716 /nfs/dbraw/zinc/28/57/16/823285716.db2.gz JVJAJDNLUJLYFJ-UHFFFAOYSA-N 1 2 379.464 4.067 20 0 GIADLO C[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccc(Cl)c(Cl)c1 ZINC000006976193 817732847 /nfs/dbraw/zinc/73/28/47/817732847.db2.gz IGJQDUZWSMPORK-UHFFFAOYSA-N 1 2 376.287 4.062 20 0 GIADLO C[N@@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccc(Cl)c(Cl)c1 ZINC000006976193 817732850 /nfs/dbraw/zinc/73/28/50/817732850.db2.gz IGJQDUZWSMPORK-UHFFFAOYSA-N 1 2 376.287 4.062 20 0 GIADLO Cc1cc(N)nc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[nH+]1 ZINC000007049038 817746844 /nfs/dbraw/zinc/74/68/44/817746844.db2.gz KTWOWZVSBFLXQB-ZJUUUORDSA-N 1 2 385.320 4.032 20 0 GIADLO Cc1ccc(CN(CCc2ccccc2)C(=O)NCCCCn2cc[nH+]c2)s1 ZINC000057378113 823284904 /nfs/dbraw/zinc/28/49/04/823284904.db2.gz ZEKVLFKHZFRZDU-UHFFFAOYSA-N 1 2 396.560 4.488 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N3CCC[C@H]([C@@H]4CCOC4)C3)c12 ZINC000409714773 823289162 /nfs/dbraw/zinc/28/91/62/823289162.db2.gz WURWGPTYLUSRNL-QWHCGFSZSA-N 1 2 379.273 4.389 20 0 GIADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000007268146 817808489 /nfs/dbraw/zinc/80/84/89/817808489.db2.gz MFUXAHQDWIKVBF-UHFFFAOYSA-N 1 2 378.472 4.043 20 0 GIADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000007268146 817808498 /nfs/dbraw/zinc/80/84/98/817808498.db2.gz MFUXAHQDWIKVBF-UHFFFAOYSA-N 1 2 378.472 4.043 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N3CCO[C@H](c4ccco4)C3)c12 ZINC000409722759 823290877 /nfs/dbraw/zinc/29/08/77/823290877.db2.gz PYVZMGUEOCVPGW-HNNXBMFYSA-N 1 2 377.213 4.307 20 0 GIADLO CCc1ccc2c(C[N@H+](C)CC(=O)Nc3c(C)cc(C)cc3C)cc(=O)oc2c1 ZINC000007374036 817826852 /nfs/dbraw/zinc/82/68/52/817826852.db2.gz HQSLECLXWBSWOC-UHFFFAOYSA-N 1 2 392.499 4.351 20 0 GIADLO CCc1ccc2c(C[N@@H+](C)CC(=O)Nc3c(C)cc(C)cc3C)cc(=O)oc2c1 ZINC000007374036 817826860 /nfs/dbraw/zinc/82/68/60/817826860.db2.gz HQSLECLXWBSWOC-UHFFFAOYSA-N 1 2 392.499 4.351 20 0 GIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc(-c2ccccc2Cl)on1 ZINC000409731359 823293257 /nfs/dbraw/zinc/29/32/57/823293257.db2.gz ZDUXAZYCJQLXLJ-UHFFFAOYSA-N 1 2 397.862 4.080 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2)o1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000409734025 823294202 /nfs/dbraw/zinc/29/42/02/823294202.db2.gz MVIQNHMBHVZBKI-UHFFFAOYSA-N 1 2 390.483 4.350 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccccc3Br)o2)cc1 ZINC000007682579 817894543 /nfs/dbraw/zinc/89/45/43/817894543.db2.gz BHNJZFPIJOOOHX-UHFFFAOYSA-N 1 2 388.265 4.140 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccccc3Br)o2)cc1 ZINC000007682579 817894551 /nfs/dbraw/zinc/89/45/51/817894551.db2.gz BHNJZFPIJOOOHX-UHFFFAOYSA-N 1 2 388.265 4.140 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2C)c1 ZINC000007718025 817902226 /nfs/dbraw/zinc/90/22/26/817902226.db2.gz MOQBZTCNYJZZHB-LJQANCHMSA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2C)c1 ZINC000007718025 817902232 /nfs/dbraw/zinc/90/22/32/817902232.db2.gz MOQBZTCNYJZZHB-LJQANCHMSA-N 1 2 388.895 4.441 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000188747143 823297185 /nfs/dbraw/zinc/29/71/85/823297185.db2.gz XPIDWTUMERIFGY-UHFFFAOYSA-N 1 2 393.365 4.204 20 0 GIADLO C[C@H](NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C)c1ccc(Br)cc1 ZINC000007878815 817947716 /nfs/dbraw/zinc/94/77/16/817947716.db2.gz DEOBWWCCOXGPQQ-QWHCGFSZSA-N 1 2 393.350 4.307 20 0 GIADLO C[C@H](NC(=O)C[N@H+]1CCc2sccc2[C@H]1C)c1ccc(Br)cc1 ZINC000007878815 817947720 /nfs/dbraw/zinc/94/77/20/817947720.db2.gz DEOBWWCCOXGPQQ-QWHCGFSZSA-N 1 2 393.350 4.307 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)s1 ZINC000122046596 823298252 /nfs/dbraw/zinc/29/82/52/823298252.db2.gz UDMGLBQNVOQSQO-GJZGRUSLSA-N 1 2 377.529 4.365 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)s1 ZINC000122046596 823298255 /nfs/dbraw/zinc/29/82/55/823298255.db2.gz UDMGLBQNVOQSQO-GJZGRUSLSA-N 1 2 377.529 4.365 20 0 GIADLO Cc1cc(O[C@@H](C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1Cl ZINC000409773543 823304253 /nfs/dbraw/zinc/30/42/53/823304253.db2.gz PZXXSUOGEVPULR-AWEZNQCLSA-N 1 2 393.940 4.497 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000008092481 817999040 /nfs/dbraw/zinc/99/90/40/817999040.db2.gz WPZRXOQNUQHLBH-CYBMUJFWSA-N 1 2 378.394 4.367 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000008092481 817999043 /nfs/dbraw/zinc/99/90/43/817999043.db2.gz WPZRXOQNUQHLBH-CYBMUJFWSA-N 1 2 378.394 4.367 20 0 GIADLO S=C(Nc1cccc(Br)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000008107237 818001368 /nfs/dbraw/zinc/00/13/68/818001368.db2.gz CNWVDAKEPVCRRV-UHFFFAOYSA-N 1 2 396.379 4.025 20 0 GIADLO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1cc(F)ccc1F ZINC000008202262 818017591 /nfs/dbraw/zinc/01/75/91/818017591.db2.gz IHLHUPKVRFHSAW-UHFFFAOYSA-N 1 2 387.455 4.393 20 0 GIADLO CC(C)Oc1cccc(CN(C)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000122118410 823308765 /nfs/dbraw/zinc/30/87/65/823308765.db2.gz BYAZOYOQEJGFQX-UHFFFAOYSA-N 1 2 396.535 4.201 20 0 GIADLO CC(C)[C@H]([NH2+]Cc1ccccc1Oc1ccccc1)c1nc(-c2nc[nH]n2)no1 ZINC000188810789 823310739 /nfs/dbraw/zinc/31/07/39/823310739.db2.gz BNTFOBIIKAZCHI-SFHVURJKSA-N 1 2 390.447 4.134 20 0 GIADLO COc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1F ZINC000011765349 818118008 /nfs/dbraw/zinc/11/80/08/818118008.db2.gz FEJXKLSIVSIGLX-UHFFFAOYSA-N 1 2 397.475 4.101 20 0 GIADLO COc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1F ZINC000011765349 818118015 /nfs/dbraw/zinc/11/80/15/818118015.db2.gz FEJXKLSIVSIGLX-UHFFFAOYSA-N 1 2 397.475 4.101 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1C ZINC000057606030 823313929 /nfs/dbraw/zinc/31/39/29/823313929.db2.gz FOSPHIYISYUJIQ-LJQANCHMSA-N 1 2 395.507 4.122 20 0 GIADLO C[C@H](NC(=O)/C(C#N)=C/c1cccc2[nH+]ccn21)c1ccc(Cl)cc1Cl ZINC000188827359 823314090 /nfs/dbraw/zinc/31/40/90/823314090.db2.gz UAQFTHUDGVICLB-OQZOHAQUSA-N 1 2 385.254 4.425 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)c1cccn1-c1c(Cl)cccc1Cl ZINC000409839038 823321667 /nfs/dbraw/zinc/32/16/67/823321667.db2.gz XUSOAADBTVIVRE-UHFFFAOYSA-N 1 2 377.275 4.143 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccccc3C(C)C)CC2)cc1 ZINC000014325214 818235262 /nfs/dbraw/zinc/23/52/62/818235262.db2.gz ZWAZUWSHCVOPDC-UHFFFAOYSA-N 1 2 394.515 4.352 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cccc3c2N=S=N3)s1 ZINC000122219587 823323227 /nfs/dbraw/zinc/32/32/27/823323227.db2.gz CCWLBNKOIWCMHW-LLVKDONJSA-N 1 2 375.523 4.372 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cccc3c2N=S=N3)s1 ZINC000122219587 823323233 /nfs/dbraw/zinc/32/32/33/823323233.db2.gz CCWLBNKOIWCMHW-LLVKDONJSA-N 1 2 375.523 4.372 20 0 GIADLO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc2ccccc2nc1Cl ZINC000015038906 818285947 /nfs/dbraw/zinc/28/59/47/818285947.db2.gz KTRHGIMXXDOCOY-UHFFFAOYSA-N 1 2 381.907 4.357 20 0 GIADLO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc2ccccc2nc1Cl ZINC000015038906 818285953 /nfs/dbraw/zinc/28/59/53/818285953.db2.gz KTRHGIMXXDOCOY-UHFFFAOYSA-N 1 2 381.907 4.357 20 0 GIADLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000015107364 818290848 /nfs/dbraw/zinc/29/08/48/818290848.db2.gz NQXYVIWFMKFKDJ-CQSZACIVSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000015107364 818290856 /nfs/dbraw/zinc/29/08/56/818290856.db2.gz NQXYVIWFMKFKDJ-CQSZACIVSA-N 1 2 376.884 4.125 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(Br)s1 ZINC000015109185 818291479 /nfs/dbraw/zinc/29/14/79/818291479.db2.gz DTFYWOYJVQSNDE-SECBINFHSA-N 1 2 389.265 4.248 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000015109185 818291482 /nfs/dbraw/zinc/29/14/82/818291482.db2.gz DTFYWOYJVQSNDE-SECBINFHSA-N 1 2 389.265 4.248 20 0 GIADLO Fc1ccccc1NC(=S)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015152070 818295597 /nfs/dbraw/zinc/29/55/97/818295597.db2.gz NTTPRQCUGNQPFP-UHFFFAOYSA-N 1 2 397.441 4.359 20 0 GIADLO Cc1nc2sc(-c3ccccc3)cc2c(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000015209765 818300193 /nfs/dbraw/zinc/30/01/93/818300193.db2.gz YCWNRMUOJKMOOJ-UHFFFAOYSA-N 1 2 387.512 4.388 20 0 GIADLO Cc1cc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)ccc1-c1ccccc1 ZINC000460238347 823327398 /nfs/dbraw/zinc/32/73/98/823327398.db2.gz MTXFQBUKLZPVTJ-UHFFFAOYSA-N 1 2 387.487 4.115 20 0 GIADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000122285987 823332557 /nfs/dbraw/zinc/33/25/57/823332557.db2.gz DKDFQUFPVYONCF-UHFFFAOYSA-N 1 2 387.483 4.264 20 0 GIADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000122285987 823332565 /nfs/dbraw/zinc/33/25/65/823332565.db2.gz DKDFQUFPVYONCF-UHFFFAOYSA-N 1 2 387.483 4.264 20 0 GIADLO CSc1cccc(F)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000409880450 823334567 /nfs/dbraw/zinc/33/45/67/823334567.db2.gz QUOXMOPKXABMAA-MAUKXSAKSA-N 1 2 380.435 4.001 20 0 GIADLO CSc1cccc(F)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000409880450 823334570 /nfs/dbraw/zinc/33/45/70/823334570.db2.gz QUOXMOPKXABMAA-MAUKXSAKSA-N 1 2 380.435 4.001 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cccnc1Cl ZINC000016237419 818408109 /nfs/dbraw/zinc/40/81/09/818408109.db2.gz WXSIDZSKFHJSIG-UHFFFAOYSA-N 1 2 384.892 4.002 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cccnc1Cl ZINC000016237419 818408113 /nfs/dbraw/zinc/40/81/13/818408113.db2.gz WXSIDZSKFHJSIG-UHFFFAOYSA-N 1 2 384.892 4.002 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(SC)c2)c(OC)c1 ZINC000016382410 818432354 /nfs/dbraw/zinc/43/23/54/818432354.db2.gz JVYJCQVGBFJWNE-LJQANCHMSA-N 1 2 386.517 4.201 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(SC)c2)c(OC)c1 ZINC000016382410 818432362 /nfs/dbraw/zinc/43/23/62/818432362.db2.gz JVYJCQVGBFJWNE-LJQANCHMSA-N 1 2 386.517 4.201 20 0 GIADLO O=C(C[NH+](Cc1cccs1)Cc1cccs1)NCCOc1ccccc1 ZINC000016396743 818434617 /nfs/dbraw/zinc/43/46/17/818434617.db2.gz RAXGWRJOKOCFBH-UHFFFAOYSA-N 1 2 386.542 4.007 20 0 GIADLO CCC(=O)Nc1ccc(C)c(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000122312584 823336341 /nfs/dbraw/zinc/33/63/41/823336341.db2.gz RIDVHLYTTVUVRT-UHFFFAOYSA-N 1 2 395.507 4.051 20 0 GIADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1c(F)ccc(O)c1F ZINC000572444855 823340482 /nfs/dbraw/zinc/34/04/82/823340482.db2.gz IESMNSLIBZUCGK-HNNXBMFYSA-N 1 2 394.849 4.108 20 0 GIADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1c(F)ccc(O)c1F ZINC000572444855 823340487 /nfs/dbraw/zinc/34/04/87/823340487.db2.gz IESMNSLIBZUCGK-HNNXBMFYSA-N 1 2 394.849 4.108 20 0 GIADLO C[N@H+](CCOc1c(Cl)cccc1Cl)Cc1nccn1CC(F)(F)F ZINC000057844883 823340984 /nfs/dbraw/zinc/34/09/84/823340984.db2.gz BSCQIZNKHJSKCV-UHFFFAOYSA-N 1 2 382.213 4.263 20 0 GIADLO C[N@@H+](CCOc1c(Cl)cccc1Cl)Cc1nccn1CC(F)(F)F ZINC000057844883 823340993 /nfs/dbraw/zinc/34/09/93/823340993.db2.gz BSCQIZNKHJSKCV-UHFFFAOYSA-N 1 2 382.213 4.263 20 0 GIADLO Cc1ccc(C[C@H](C)NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000572499441 823349902 /nfs/dbraw/zinc/34/99/02/823349902.db2.gz PLXCMOGQACPTCE-DOTOQJQBSA-N 1 2 386.565 4.110 20 0 GIADLO Fc1ccc(-c2nc(C[N@@H+]3CC[C@H](COCc4ccccc4)C3)no2)c(F)c1 ZINC000189051033 823348888 /nfs/dbraw/zinc/34/88/88/823348888.db2.gz PXGTUIYOZRULJW-INIZCTEOSA-N 1 2 385.414 4.054 20 0 GIADLO Fc1ccc(-c2nc(C[N@H+]3CC[C@H](COCc4ccccc4)C3)no2)c(F)c1 ZINC000189051033 823348894 /nfs/dbraw/zinc/34/88/94/823348894.db2.gz PXGTUIYOZRULJW-INIZCTEOSA-N 1 2 385.414 4.054 20 0 GIADLO CC[C@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)Oc1ccc(Cl)c(Cl)c1 ZINC000189071886 823352448 /nfs/dbraw/zinc/35/24/48/823352448.db2.gz MIBLGDCZSPONNC-UONOGXRCSA-N 1 2 396.318 4.068 20 0 GIADLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000020543281 818624852 /nfs/dbraw/zinc/62/48/52/818624852.db2.gz ZVUMWHYNRDSVPA-UHFFFAOYSA-N 1 2 393.409 4.064 20 0 GIADLO O=C(Nc1ccc(-c2cnco2)cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000122430715 823352909 /nfs/dbraw/zinc/35/29/09/823352909.db2.gz CFSOJFDNWNAPAO-FQEVSTJZSA-N 1 2 379.485 4.070 20 0 GIADLO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2sc3ccccc3c2Cl)C[C@H](C)O1 ZINC000021057094 818650908 /nfs/dbraw/zinc/65/09/08/818650908.db2.gz OGCHLAZSDDRKOC-STQMWFEESA-N 1 2 380.941 4.172 20 0 GIADLO Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000572499442 823350069 /nfs/dbraw/zinc/35/00/69/823350069.db2.gz PLXCMOGQACPTCE-NVXWUHKLSA-N 1 2 386.565 4.110 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000122415335 823351029 /nfs/dbraw/zinc/35/10/29/823351029.db2.gz UKLORHMTSUREDX-QGZVFWFLSA-N 1 2 395.890 4.457 20 0 GIADLO CC(C)[C@H](Oc1ccccc1Br)C(=O)Nc1cccc2[nH+]ccn21 ZINC000460339096 823358009 /nfs/dbraw/zinc/35/80/09/823358009.db2.gz MQSZYTOLNAGBPF-KRWDZBQOSA-N 1 2 388.265 4.139 20 0 GIADLO CC(C)(C)[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1cccc(C(F)(F)F)c1 ZINC000460346647 823360049 /nfs/dbraw/zinc/36/00/49/823360049.db2.gz AHKVTMNXVDNWKA-MRXNPFEDSA-N 1 2 380.414 4.215 20 0 GIADLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[nH+]1 ZINC000022089979 818771087 /nfs/dbraw/zinc/77/10/87/818771087.db2.gz HVLNVKUWLJUJOL-MRVPVSSYSA-N 1 2 390.818 4.159 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(Br)cc1 ZINC000022289000 818790320 /nfs/dbraw/zinc/79/03/20/818790320.db2.gz DGLWOZJRJIMKKF-UHFFFAOYSA-N 1 2 380.311 4.144 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000572603832 823368277 /nfs/dbraw/zinc/36/82/77/823368277.db2.gz LEZMUIPFHSSSLR-PZJWPPBQSA-N 1 2 380.536 4.335 20 0 GIADLO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccc2ccccc2c1 ZINC000022773787 818858740 /nfs/dbraw/zinc/85/87/40/818858740.db2.gz XPAZUJVCUINRBE-RMKNXTFCSA-N 1 2 385.511 4.109 20 0 GIADLO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000022786210 818860763 /nfs/dbraw/zinc/86/07/63/818860763.db2.gz YKESTSWCCMKWCC-SFHVURJKSA-N 1 2 385.939 4.274 20 0 GIADLO Cc1cc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc1Oc1ccc(F)cc1 ZINC000058216877 823369473 /nfs/dbraw/zinc/36/94/73/823369473.db2.gz SZFVPHQOBQKOSK-INIZCTEOSA-N 1 2 382.439 4.011 20 0 GIADLO CC(C)Cn1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000058273176 823373417 /nfs/dbraw/zinc/37/34/17/823373417.db2.gz FSZHWAUEUWYGRQ-UHFFFAOYSA-N 1 2 376.504 4.091 20 0 GIADLO O=C(C[NH+]1CCC([C@@H]2CCCO2)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000189197950 823374121 /nfs/dbraw/zinc/37/41/21/823374121.db2.gz VBUCLUODRPKYDN-HNNXBMFYSA-N 1 2 390.833 4.188 20 0 GIADLO C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023375912 818929804 /nfs/dbraw/zinc/92/98/04/818929804.db2.gz QYOAUAHSKLOAKZ-QGZVFWFLSA-N 1 2 379.529 4.046 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3cccc4[nH]ccc43)n2)C1 ZINC000410034416 823375490 /nfs/dbraw/zinc/37/54/90/823375490.db2.gz PRSDLYJMPLMONJ-OAHLLOKOSA-N 1 2 397.548 4.221 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3cccc4[nH]ccc43)n2)C1 ZINC000410034416 823375497 /nfs/dbraw/zinc/37/54/97/823375497.db2.gz PRSDLYJMPLMONJ-OAHLLOKOSA-N 1 2 397.548 4.221 20 0 GIADLO Cc1cc(-c2ncccc2NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000189205784 823375651 /nfs/dbraw/zinc/37/56/51/823375651.db2.gz OWDZZBWQQUFRCP-RDTXWAMCSA-N 1 2 381.505 4.430 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000058297331 823375644 /nfs/dbraw/zinc/37/56/44/823375644.db2.gz HKJRQROIGYFLPO-LBPRGKRZSA-N 1 2 383.502 4.116 20 0 GIADLO Cc1cc(-c2ncccc2NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000189205832 823375712 /nfs/dbraw/zinc/37/57/12/823375712.db2.gz OWDZZBWQQUFRCP-KDOFPFPSSA-N 1 2 381.505 4.430 20 0 GIADLO Cc1cc(F)cc2c1CN(C(=O)Nc1nc(C[NH+]3CCCCC3)cs1)CC2 ZINC000410036136 823376009 /nfs/dbraw/zinc/37/60/09/823376009.db2.gz FPVUEICEQVYYIX-UHFFFAOYSA-N 1 2 388.512 4.167 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC000058297773 823376270 /nfs/dbraw/zinc/37/62/70/823376270.db2.gz HDYGRJGTZXBWDZ-YKBBIGDRSA-N 1 2 398.466 4.330 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)c3ccccc3OCc3ccc(F)cc3)sc2C1 ZINC000023607993 818964539 /nfs/dbraw/zinc/96/45/39/818964539.db2.gz PTGCJFNDOIMIIU-UHFFFAOYSA-N 1 2 397.475 4.101 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)c3ccccc3OCc3ccc(F)cc3)sc2C1 ZINC000023607993 818964545 /nfs/dbraw/zinc/96/45/45/818964545.db2.gz PTGCJFNDOIMIIU-UHFFFAOYSA-N 1 2 397.475 4.101 20 0 GIADLO C[C@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)c1nnnn1-c1ccccc1 ZINC000189209470 823376605 /nfs/dbraw/zinc/37/66/05/823376605.db2.gz JXVNUNGEVJJQIY-NSHDSACASA-N 1 2 381.789 4.185 20 0 GIADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000023666988 818971550 /nfs/dbraw/zinc/97/15/50/818971550.db2.gz LWLAIYOPBCYNEM-NSHDSACASA-N 1 2 383.236 4.359 20 0 GIADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000023666988 818971554 /nfs/dbraw/zinc/97/15/54/818971554.db2.gz LWLAIYOPBCYNEM-NSHDSACASA-N 1 2 383.236 4.359 20 0 GIADLO O=C(c1cccc(Oc2ccccc2)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023735953 818977153 /nfs/dbraw/zinc/97/71/53/818977153.db2.gz FQKONRBMKOZWSD-UHFFFAOYSA-N 1 2 378.497 4.498 20 0 GIADLO O=C(CC[C@@H]1CCOC1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000177165849 823388712 /nfs/dbraw/zinc/38/87/12/823388712.db2.gz XMPJQVHZRLBSIZ-HXUWFJFHSA-N 1 2 389.499 4.031 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccsc3Cl)CC2)c1 ZINC000189327869 823394775 /nfs/dbraw/zinc/39/47/75/823394775.db2.gz JIVAIAQNWBKDKA-CYBMUJFWSA-N 1 2 379.913 4.321 20 0 GIADLO COC(=O)c1sccc1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000058457686 823394805 /nfs/dbraw/zinc/39/48/05/823394805.db2.gz GNTYFPXWIUVIJJ-UHFFFAOYSA-N 1 2 394.496 4.176 20 0 GIADLO c1nn(-c2ccccc2)nc1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000058472275 823396685 /nfs/dbraw/zinc/39/66/85/823396685.db2.gz JUCPSDWYKWTSAG-UHFFFAOYSA-N 1 2 375.501 4.257 20 0 GIADLO CC(C)(C)c1ccc(CCNC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000410141887 823400333 /nfs/dbraw/zinc/40/03/33/823400333.db2.gz WCAJHLOUOAJPIU-UHFFFAOYSA-N 1 2 390.531 4.271 20 0 GIADLO COc1cc(C)ccc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000122727515 823401579 /nfs/dbraw/zinc/40/15/79/823401579.db2.gz LSCHCSCQKCRIEQ-FPOVZHCZSA-N 1 2 376.460 4.250 20 0 GIADLO C[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000410153490 823403356 /nfs/dbraw/zinc/40/33/56/823403356.db2.gz FJDRRHHJEZCHAY-CQSZACIVSA-N 1 2 397.466 4.355 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)ccc1SC ZINC000058528737 823404499 /nfs/dbraw/zinc/40/44/99/823404499.db2.gz SIAXQXWKUNWDRW-INIZCTEOSA-N 1 2 384.545 4.217 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)ccc1SC ZINC000058528737 823404506 /nfs/dbraw/zinc/40/45/06/823404506.db2.gz SIAXQXWKUNWDRW-INIZCTEOSA-N 1 2 384.545 4.217 20 0 GIADLO COc1ccccc1C[C@H]1CCC[N@@H+]1Cn1ncn(-c2ccccc2C)c1=S ZINC000058540038 823406053 /nfs/dbraw/zinc/40/60/53/823406053.db2.gz VOTNFAZMNVNAND-LJQANCHMSA-N 1 2 394.544 4.385 20 0 GIADLO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1ncn(-c2ccccc2C)c1=S ZINC000058540038 823406059 /nfs/dbraw/zinc/40/60/59/823406059.db2.gz VOTNFAZMNVNAND-LJQANCHMSA-N 1 2 394.544 4.385 20 0 GIADLO COc1ccccc1C[C@H]1CCC[N@@H+]1Cn1nc(-c2ccoc2C)n(C)c1=S ZINC000058539944 823406177 /nfs/dbraw/zinc/40/61/77/823406177.db2.gz DVQPCEOWGNSFDC-QGZVFWFLSA-N 1 2 398.532 4.193 20 0 GIADLO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1nc(-c2ccoc2C)n(C)c1=S ZINC000058539944 823406181 /nfs/dbraw/zinc/40/61/81/823406181.db2.gz DVQPCEOWGNSFDC-QGZVFWFLSA-N 1 2 398.532 4.193 20 0 GIADLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C)c1ccccc1F ZINC000572863336 823410943 /nfs/dbraw/zinc/41/09/43/823410943.db2.gz ZPDOXQGNVJZQCF-PWRODBHTSA-N 1 2 379.479 4.484 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccccc2OC(F)(F)F)c1C ZINC000058613697 823417112 /nfs/dbraw/zinc/41/71/12/823417112.db2.gz PIHBYEXVDCRRRX-UHFFFAOYSA-N 1 2 383.370 4.270 20 0 GIADLO Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000122891020 823429756 /nfs/dbraw/zinc/42/97/56/823429756.db2.gz AHHFOCJFIWQURT-AVRDEDQJSA-N 1 2 387.483 4.146 20 0 GIADLO COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410249186 823433854 /nfs/dbraw/zinc/43/38/54/823433854.db2.gz HEDQPRHEJBSFPN-JOCHJYFZSA-N 1 2 375.472 4.090 20 0 GIADLO O=C(CCSc1ccc(Cl)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024753510 819874070 /nfs/dbraw/zinc/87/40/70/819874070.db2.gz IPUJRIIHSFTNOV-UHFFFAOYSA-N 1 2 385.920 4.383 20 0 GIADLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cnn1-c1cccc(Cl)c1 ZINC000024792729 819877055 /nfs/dbraw/zinc/87/70/55/819877055.db2.gz ZXJAIDWVLPBHFZ-UHFFFAOYSA-N 1 2 377.835 4.272 20 0 GIADLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)[nH+]1 ZINC000024840981 819882954 /nfs/dbraw/zinc/88/29/54/819882954.db2.gz BTMPJNHUIBJABG-SSDOTTSWSA-N 1 2 391.711 4.447 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccc(F)cc3Cl)n2)C1 ZINC000024888209 819889467 /nfs/dbraw/zinc/88/94/67/819889467.db2.gz IBXZXWXYVGPNRL-LBPRGKRZSA-N 1 2 397.903 4.185 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccc(F)cc3Cl)n2)C1 ZINC000024888209 819889479 /nfs/dbraw/zinc/88/94/79/819889479.db2.gz IBXZXWXYVGPNRL-LBPRGKRZSA-N 1 2 397.903 4.185 20 0 GIADLO O=C(Cc1ccccc1C(F)(F)F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410256801 823436547 /nfs/dbraw/zinc/43/65/47/823436547.db2.gz LRZKCZWFQOJWGB-MRXNPFEDSA-N 1 2 391.437 4.187 20 0 GIADLO Cc1cccc(OCCCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410257808 823437040 /nfs/dbraw/zinc/43/70/40/823437040.db2.gz SNUUMVURGFAPHK-IBGZPJMESA-N 1 2 381.520 4.093 20 0 GIADLO Cc1ccc(C)c(OCCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410258473 823437403 /nfs/dbraw/zinc/43/74/03/823437403.db2.gz VTDLRBGLMSPUGN-IBGZPJMESA-N 1 2 381.520 4.011 20 0 GIADLO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000025056984 819917231 /nfs/dbraw/zinc/91/72/31/819917231.db2.gz NGKUBHHYWGYYTK-INIZCTEOSA-N 1 2 382.529 4.330 20 0 GIADLO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000025058190 819917794 /nfs/dbraw/zinc/91/77/94/819917794.db2.gz SLMGBQSNEFBSTD-INIZCTEOSA-N 1 2 382.529 4.330 20 0 GIADLO CC[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C[C@H](O)C(F)(F)F ZINC000189533986 823439105 /nfs/dbraw/zinc/43/91/05/823439105.db2.gz ULVARYZPMZTIRJ-KRWDZBQOSA-N 1 2 388.817 4.059 20 0 GIADLO CC[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C[C@H](O)C(F)(F)F ZINC000189533986 823439107 /nfs/dbraw/zinc/43/91/07/823439107.db2.gz ULVARYZPMZTIRJ-KRWDZBQOSA-N 1 2 388.817 4.059 20 0 GIADLO O=C(Cc1cc(Cl)ccc1Cl)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410262976 823439228 /nfs/dbraw/zinc/43/92/28/823439228.db2.gz GKHULPSQORZEJL-CQSZACIVSA-N 1 2 392.330 4.475 20 0 GIADLO O[C@H](COc1ccc2ccccc2c1)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000025228651 819947123 /nfs/dbraw/zinc/94/71/23/819947123.db2.gz UKHBYJMADKOORP-FQEVSTJZSA-N 1 2 377.440 4.468 20 0 GIADLO COc1ccc(CCCCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410267052 823441098 /nfs/dbraw/zinc/44/10/98/823441098.db2.gz FOYGHIDRLYMFJR-FQEVSTJZSA-N 1 2 395.547 4.347 20 0 GIADLO O=C(Cn1ccc2ccc(Cl)cc21)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410267890 823441774 /nfs/dbraw/zinc/44/17/74/823441774.db2.gz IHEGYOWDCPMFBG-KRWDZBQOSA-N 1 2 396.922 4.234 20 0 GIADLO COc1ccccc1CC(C)(C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410268108 823441782 /nfs/dbraw/zinc/44/17/82/823441782.db2.gz JPRMETCDHNMBOM-IBGZPJMESA-N 1 2 395.547 4.203 20 0 GIADLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000025362075 819969743 /nfs/dbraw/zinc/96/97/43/819969743.db2.gz SUJGKSOPMPUOHU-NRFANRHFSA-N 1 2 397.494 4.083 20 0 GIADLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000025362075 819969750 /nfs/dbraw/zinc/96/97/50/819969750.db2.gz SUJGKSOPMPUOHU-NRFANRHFSA-N 1 2 397.494 4.083 20 0 GIADLO O=C(c1ccc(-n2cccc2)c(F)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410269282 823442399 /nfs/dbraw/zinc/44/23/99/823442399.db2.gz NLRJWVCSSILOHR-SFHVURJKSA-N 1 2 392.478 4.169 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000025445705 819981460 /nfs/dbraw/zinc/98/14/60/819981460.db2.gz ZPAIQVHXCCZKOZ-QGZVFWFLSA-N 1 2 392.858 4.272 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000025445705 819981464 /nfs/dbraw/zinc/98/14/64/819981464.db2.gz ZPAIQVHXCCZKOZ-QGZVFWFLSA-N 1 2 392.858 4.272 20 0 GIADLO C[C@]1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCc2ccccc21 ZINC000410271733 823443453 /nfs/dbraw/zinc/44/34/53/823443453.db2.gz KFIJVXQROARVCF-DVECYGJZSA-N 1 2 377.532 4.220 20 0 GIADLO O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410276034 823445210 /nfs/dbraw/zinc/44/52/10/823445210.db2.gz MYZHFEBVTQMKRR-OAHLLOKOSA-N 1 2 392.330 4.475 20 0 GIADLO COc1cc(F)c(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)cc1OC ZINC000573097691 823447069 /nfs/dbraw/zinc/44/70/69/823447069.db2.gz QBIBULXPAKRQCK-UHFFFAOYSA-N 1 2 379.300 4.430 20 0 GIADLO CCn1cc(CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc21 ZINC000410284636 823448580 /nfs/dbraw/zinc/44/85/80/823448580.db2.gz BEOIFEIZGAUGLO-GOSISDBHSA-N 1 2 390.531 4.143 20 0 GIADLO O=C([C@@H]1SCCc2sccc21)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410286436 823449452 /nfs/dbraw/zinc/44/94/52/823449452.db2.gz GRCHUDKQZSUDIQ-KBXCAEBGSA-N 1 2 387.574 4.018 20 0 GIADLO CCOc1ccccc1N1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000026227674 820071830 /nfs/dbraw/zinc/07/18/30/820071830.db2.gz UFCFKSAPHMFWTH-KRWDZBQOSA-N 1 2 378.476 4.019 20 0 GIADLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000026303405 820080058 /nfs/dbraw/zinc/08/00/58/820080058.db2.gz NEGWRJYPPKARPT-CQSZACIVSA-N 1 2 392.425 4.261 20 0 GIADLO CC[C@@H](NC(=O)C[N@H+](C)Cc1ccc(OC)cc1OC)c1ccc(Cl)cc1 ZINC000026323020 820083489 /nfs/dbraw/zinc/08/34/89/820083489.db2.gz ZVKIRGQNKGNHCG-LJQANCHMSA-N 1 2 390.911 4.057 20 0 GIADLO CC[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(OC)cc1OC)c1ccc(Cl)cc1 ZINC000026323020 820083501 /nfs/dbraw/zinc/08/35/01/820083501.db2.gz ZVKIRGQNKGNHCG-LJQANCHMSA-N 1 2 390.911 4.057 20 0 GIADLO COc1cc(Br)c(C[NH2+][C@H]2CCOc3ccc(F)cc32)c(OC)c1 ZINC000189583718 823451769 /nfs/dbraw/zinc/45/17/69/823451769.db2.gz DHERTCFWWDTYKQ-INIZCTEOSA-N 1 2 396.256 4.219 20 0 GIADLO CC(=O)Nc1cccc(-n2cnn(C[N@@H+]3CCC[C@H]3c3ccccc3)c2=S)c1 ZINC000026554233 820113303 /nfs/dbraw/zinc/11/33/03/820113303.db2.gz IQDXHHXVCVMDKG-FQEVSTJZSA-N 1 2 393.516 4.156 20 0 GIADLO CC(=O)Nc1cccc(-n2cnn(C[N@H+]3CCC[C@H]3c3ccccc3)c2=S)c1 ZINC000026554233 820113310 /nfs/dbraw/zinc/11/33/10/820113310.db2.gz IQDXHHXVCVMDKG-FQEVSTJZSA-N 1 2 393.516 4.156 20 0 GIADLO CCOc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000026639319 820126330 /nfs/dbraw/zinc/12/63/30/820126330.db2.gz RAGVOBCYYBOGHP-UHFFFAOYSA-N 1 2 394.515 4.236 20 0 GIADLO Cc1ccc(CSCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000410309110 823459116 /nfs/dbraw/zinc/45/91/16/823459116.db2.gz RLWQTKUFTDBDSR-UHFFFAOYSA-N 1 2 383.561 4.320 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(-c2cnco2)cc1 ZINC000410315263 823460831 /nfs/dbraw/zinc/46/08/31/823460831.db2.gz UJXOIICDIVSSPW-UHFFFAOYSA-N 1 2 376.460 4.047 20 0 GIADLO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(O)c(Cl)c1 ZINC000027343774 820228394 /nfs/dbraw/zinc/22/83/94/820228394.db2.gz MLSYTHLMOBDEKW-KRWDZBQOSA-N 1 2 379.287 4.266 20 0 GIADLO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(O)c(Cl)c1 ZINC000027343771 820228669 /nfs/dbraw/zinc/22/86/69/820228669.db2.gz MLSYTHLMOBDEKW-QGZVFWFLSA-N 1 2 379.287 4.266 20 0 GIADLO Cc1ccc(SCCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1C ZINC000027476952 820249380 /nfs/dbraw/zinc/24/93/80/820249380.db2.gz VGVSBRIOQXPRDH-UHFFFAOYSA-N 1 2 393.556 4.389 20 0 GIADLO C[C@H]1CCc2c(C(=O)N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)csc2C1 ZINC000410328452 823464713 /nfs/dbraw/zinc/46/47/13/823464713.db2.gz SPGFGYYYFKZGHD-JKSUJKDBSA-N 1 2 383.561 4.426 20 0 GIADLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000027741057 820281638 /nfs/dbraw/zinc/28/16/38/820281638.db2.gz IZSAHZFDNJQQRL-HNNXBMFYSA-N 1 2 399.922 4.009 20 0 GIADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000027741057 820281643 /nfs/dbraw/zinc/28/16/43/820281643.db2.gz IZSAHZFDNJQQRL-HNNXBMFYSA-N 1 2 399.922 4.009 20 0 GIADLO COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000123161771 823472097 /nfs/dbraw/zinc/47/20/97/823472097.db2.gz JWESVOZZDCRDCU-SFHVURJKSA-N 1 2 377.488 4.140 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)C1 ZINC000028681855 820350013 /nfs/dbraw/zinc/35/00/13/820350013.db2.gz RIPIEDQMENRXEK-LBPRGKRZSA-N 1 2 381.448 4.229 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)C1 ZINC000028681855 820350026 /nfs/dbraw/zinc/35/00/26/820350026.db2.gz RIPIEDQMENRXEK-LBPRGKRZSA-N 1 2 381.448 4.229 20 0 GIADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 ZINC000028869547 820365278 /nfs/dbraw/zinc/36/52/78/820365278.db2.gz UYMGMYFXWXUSRP-UHFFFAOYSA-N 1 2 397.906 4.096 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(SC)cc2)c(OC)c1 ZINC000029117139 820395396 /nfs/dbraw/zinc/39/53/96/820395396.db2.gz QYHQGKTZXIBYCT-LJQANCHMSA-N 1 2 386.517 4.201 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(SC)cc2)c(OC)c1 ZINC000029117139 820395399 /nfs/dbraw/zinc/39/53/99/820395399.db2.gz QYHQGKTZXIBYCT-LJQANCHMSA-N 1 2 386.517 4.201 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1C ZINC000058957910 823476015 /nfs/dbraw/zinc/47/60/15/823476015.db2.gz WMEBIBJCYUZPOF-UHFFFAOYSA-N 1 2 397.450 4.092 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c3c(nc4ccccc42)CCC3)c1C ZINC000058958581 823476352 /nfs/dbraw/zinc/47/63/52/823476352.db2.gz VYKGFHMKUMVMAR-UHFFFAOYSA-N 1 2 375.472 4.016 20 0 GIADLO Cc1[nH]c2ccc(NC(=O)CCNc3ncc(C(F)(F)F)cc3Cl)cc2[nH+]1 ZINC000460680285 823476852 /nfs/dbraw/zinc/47/68/52/823476852.db2.gz XVOGSRWXVGAYJH-UHFFFAOYSA-N 1 2 397.788 4.379 20 0 GIADLO C[N@H+](Cn1nc(-c2ccncc2)n(C2CC2)c1=S)[C@@H]1CCc2ccccc21 ZINC000029312554 820435343 /nfs/dbraw/zinc/43/53/43/820435343.db2.gz XQSBJVYXCOZPFX-LJQANCHMSA-N 1 2 377.517 4.388 20 0 GIADLO C[N@@H+](Cn1nc(-c2ccncc2)n(C2CC2)c1=S)[C@@H]1CCc2ccccc21 ZINC000029312554 820435345 /nfs/dbraw/zinc/43/53/45/820435345.db2.gz XQSBJVYXCOZPFX-LJQANCHMSA-N 1 2 377.517 4.388 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000410387266 823483298 /nfs/dbraw/zinc/48/32/98/823483298.db2.gz YQSLETBYAVATAI-GIPWTMENSA-N 1 2 389.833 4.328 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000573338928 823481927 /nfs/dbraw/zinc/48/19/27/823481927.db2.gz LTRFTJGQUKSPMH-WMZOPIPTSA-N 1 2 386.927 4.351 20 0 GIADLO CN(C(=O)C[NH+]1CCN(c2ccccc2)CC1)C(c1ccccc1)c1ccccc1 ZINC000029634990 820488990 /nfs/dbraw/zinc/48/89/90/820488990.db2.gz QMBCFLORTBXCRF-UHFFFAOYSA-N 1 2 399.538 4.057 20 0 GIADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000029685495 820497791 /nfs/dbraw/zinc/49/77/91/820497791.db2.gz XTDFHKADKFEWIQ-MRXNPFEDSA-N 1 2 382.895 4.269 20 0 GIADLO COc1cc([C@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)ccc1OC(C)C ZINC000123276664 823489473 /nfs/dbraw/zinc/48/94/73/823489473.db2.gz GUJBFLMQERHVKO-LSDHHAIUSA-N 1 2 382.464 4.339 20 0 GIADLO Cn1ccnc1[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccccc1Cl ZINC000573371113 823485813 /nfs/dbraw/zinc/48/58/13/823485813.db2.gz POTKRKQECNAIMT-UYAOXDASSA-N 1 2 387.936 4.302 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(Cl)c2cccnc12 ZINC000029792317 820519978 /nfs/dbraw/zinc/51/99/78/820519978.db2.gz CVMWYWLPOHNAER-UHFFFAOYSA-N 1 2 390.874 4.106 20 0 GIADLO O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000189745411 823486576 /nfs/dbraw/zinc/48/65/76/823486576.db2.gz GQXCPDAJNIPDOX-UHFFFAOYSA-N 1 2 395.875 4.220 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc2cc(Cl)ccc2o1 ZINC000029870832 820536817 /nfs/dbraw/zinc/53/68/17/820536817.db2.gz DXUVXMUEELIFNQ-UHFFFAOYSA-N 1 2 379.847 4.304 20 0 GIADLO O=C(Nc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1)c1ccccc1 ZINC000029910050 820546017 /nfs/dbraw/zinc/54/60/17/820546017.db2.gz PWNWCXUTKGTQOT-UHFFFAOYSA-N 1 2 382.423 4.377 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000029929786 820550134 /nfs/dbraw/zinc/55/01/34/820550134.db2.gz IPTXOUBIPVEKQG-UHFFFAOYSA-N 1 2 395.547 4.364 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000029929786 820550141 /nfs/dbraw/zinc/55/01/41/820550141.db2.gz IPTXOUBIPVEKQG-UHFFFAOYSA-N 1 2 395.547 4.364 20 0 GIADLO O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000410405438 823488724 /nfs/dbraw/zinc/48/87/24/823488724.db2.gz DJPYSTMAQUINJU-UHFFFAOYSA-N 1 2 379.313 4.205 20 0 GIADLO C[N@@H+]1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)[C@H](c2ccccc2)C1 ZINC000030030245 820571855 /nfs/dbraw/zinc/57/18/55/820571855.db2.gz HJUJKKURHSNWFR-IBGZPJMESA-N 1 2 381.476 4.078 20 0 GIADLO C[N@H+]1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)[C@H](c2ccccc2)C1 ZINC000030030245 820571861 /nfs/dbraw/zinc/57/18/61/820571861.db2.gz HJUJKKURHSNWFR-IBGZPJMESA-N 1 2 381.476 4.078 20 0 GIADLO CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)o2)cc1 ZINC000030218765 820589231 /nfs/dbraw/zinc/58/92/31/820589231.db2.gz GTCUOLXUMYWUBJ-UHFFFAOYSA-N 1 2 399.450 4.324 20 0 GIADLO Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1NC(=O)OC(C)(C)C ZINC000123313333 823494932 /nfs/dbraw/zinc/49/49/32/823494932.db2.gz ZJXSJEXALAIVJR-VQIMIIECSA-N 1 2 398.507 4.262 20 0 GIADLO C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@@H](C)c1ccccc1 ZINC000573426863 823491942 /nfs/dbraw/zinc/49/19/42/823491942.db2.gz REFHYTMCCUSRRS-MSOLQXFVSA-N 1 2 380.536 4.301 20 0 GIADLO COc1cc(OC)cc([C@@H]([NH2+]Cc2ccc(C(C)C)cc2)c2nccn2C)c1 ZINC000030649030 820657853 /nfs/dbraw/zinc/65/78/53/820657853.db2.gz KFOQYLPSICUJED-JOCHJYFZSA-N 1 2 379.504 4.440 20 0 GIADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Cl)ccc1OC(F)F ZINC000177600964 823499380 /nfs/dbraw/zinc/49/93/80/823499380.db2.gz LCAMCLYHQPRFAF-UHFFFAOYSA-N 1 2 396.821 4.026 20 0 GIADLO C[C@@H]1CCN(C(=O)CCCc2ccc(Br)s2)C[C@H]1n1cc[nH+]c1 ZINC000123395347 823505221 /nfs/dbraw/zinc/50/52/21/823505221.db2.gz ALXJIJAXOJQBAU-UKRRQHHQSA-N 1 2 396.354 4.140 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)CCCOc3ccccc3F)n2)CC1 ZINC000059877547 823501038 /nfs/dbraw/zinc/50/10/38/823501038.db2.gz JRDJUBLLOMRUSX-UHFFFAOYSA-N 1 2 391.512 4.312 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2c[nH]c3cccc(F)c23)C[C@@H](C)O1 ZINC000123366209 823502062 /nfs/dbraw/zinc/50/20/62/823502062.db2.gz UUMOONSXILQIMU-HUUCEWRRSA-N 1 2 381.451 4.169 20 0 GIADLO Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000177663104 823509896 /nfs/dbraw/zinc/50/98/96/823509896.db2.gz FIFPKJWUWGGDEJ-UHFFFAOYSA-N 1 2 397.482 4.122 20 0 GIADLO COc1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1C ZINC000031893303 820870822 /nfs/dbraw/zinc/87/08/22/820870822.db2.gz PDVAQADOOLHION-SFHVURJKSA-N 1 2 390.886 4.363 20 0 GIADLO Cc1cccc(OCC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000031895625 820871418 /nfs/dbraw/zinc/87/14/18/820871418.db2.gz RSESICIQFWIGMG-LJQANCHMSA-N 1 2 390.886 4.120 20 0 GIADLO C[C@H](Oc1ccccc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895245 820871831 /nfs/dbraw/zinc/87/18/31/820871831.db2.gz CFMUOKRZNBYUFR-KXBFYZLASA-N 1 2 390.886 4.200 20 0 GIADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000031897506 820872383 /nfs/dbraw/zinc/87/23/83/820872383.db2.gz HRUGEMXYJMJKGL-KRWDZBQOSA-N 1 2 382.813 4.324 20 0 GIADLO COc1ccccc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031896211 820872468 /nfs/dbraw/zinc/87/24/68/820872468.db2.gz ZTZVRIDKBUHWCE-QGZVFWFLSA-N 1 2 376.859 4.055 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(Cl)ccc2Br)c1C ZINC000123470838 823512391 /nfs/dbraw/zinc/51/23/91/823512391.db2.gz GRKUGWBAJSXSCD-UHFFFAOYSA-N 1 2 383.673 4.053 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000123462371 823511535 /nfs/dbraw/zinc/51/15/35/823511535.db2.gz JYEWLTWJCINTQS-CZUORRHYSA-N 1 2 386.908 4.383 20 0 GIADLO Cc1cc(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c(C)c(C)c1O ZINC000189960271 823517892 /nfs/dbraw/zinc/51/78/92/823517892.db2.gz JXQDZFXNUOXXIL-UHFFFAOYSA-N 1 2 380.448 4.237 20 0 GIADLO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000177717071 823516157 /nfs/dbraw/zinc/51/61/57/823516157.db2.gz ZZWJVUHKVFPVHV-UHFFFAOYSA-N 1 2 397.332 4.249 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000177724228 823517046 /nfs/dbraw/zinc/51/70/46/823517046.db2.gz ISRKURVGQGWFCC-UOXLDJKESA-N 1 2 399.343 4.362 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000177724228 823517048 /nfs/dbraw/zinc/51/70/48/823517048.db2.gz ISRKURVGQGWFCC-UOXLDJKESA-N 1 2 399.343 4.362 20 0 GIADLO C[N@@H+](Cc1ccc2ccccc2c1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000032512325 820964039 /nfs/dbraw/zinc/96/40/39/820964039.db2.gz PBHCAIMVVIXBRN-UHFFFAOYSA-N 1 2 375.497 4.259 20 0 GIADLO C[N@H+](Cc1ccc2ccccc2c1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000032512325 820964046 /nfs/dbraw/zinc/96/40/46/820964046.db2.gz PBHCAIMVVIXBRN-UHFFFAOYSA-N 1 2 375.497 4.259 20 0 GIADLO Cc1[nH+]ccn1CCCC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000060358699 823519300 /nfs/dbraw/zinc/51/93/00/823519300.db2.gz OVMSOTOLWPDWOS-UHFFFAOYSA-N 1 2 391.450 4.217 20 0 GIADLO Cc1cc(/C=C(/C#N)C(=O)NCCCCn2cc[nH+]c2)c(C)n1C1CCCCC1 ZINC000060408008 823524371 /nfs/dbraw/zinc/52/43/71/823524371.db2.gz YDGIPXURGHZHJZ-QNGOZBTKSA-N 1 2 393.535 4.310 20 0 GIADLO C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000177775844 823524468 /nfs/dbraw/zinc/52/44/68/823524468.db2.gz ADIYQNKXKMXGNL-YHYVQYDKSA-N 1 2 392.478 4.404 20 0 GIADLO C[C@@H]1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000123610592 823525504 /nfs/dbraw/zinc/52/55/04/823525504.db2.gz OMBBFNMKAOAHRZ-QAPCUYQASA-N 1 2 376.460 4.139 20 0 GIADLO Cc1ccc(-c2nnc(C[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)o2)cc1 ZINC000039304410 821105139 /nfs/dbraw/zinc/10/51/39/821105139.db2.gz YLZUULBUQBBFOU-UHFFFAOYSA-N 1 2 379.435 4.279 20 0 GIADLO C[C@H](SCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000060518662 823537610 /nfs/dbraw/zinc/53/76/10/823537610.db2.gz MEPIAZZTMVDAKM-INIZCTEOSA-N 1 2 389.952 4.268 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(Cl)cc2Cl)c1C ZINC000060530123 823538714 /nfs/dbraw/zinc/53/87/14/823538714.db2.gz DNRSAKJANOPDJN-UHFFFAOYSA-N 1 2 382.291 4.355 20 0 GIADLO COc1cc(-c2ccccc2)sc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123773145 823539443 /nfs/dbraw/zinc/53/94/43/823539443.db2.gz OQKOALBIIZHVGA-NVXWUHKLSA-N 1 2 381.501 4.344 20 0 GIADLO Cc1ccc(-c2nc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cs2)c(C)c1 ZINC000123776510 823539858 /nfs/dbraw/zinc/53/98/58/823539858.db2.gz RLSZKPSUSRPNOY-DNVCBOLYSA-N 1 2 380.517 4.347 20 0 GIADLO CC[C@@H]1CCC[N@H+](Cn2nc(C3CC3)n(-c3cccc(NC(C)=O)c3)c2=S)C1 ZINC000042095509 821264330 /nfs/dbraw/zinc/26/43/30/821264330.db2.gz BZWNRGWKDLBXIN-MRXNPFEDSA-N 1 2 399.564 4.319 20 0 GIADLO CC[C@@H]1CCC[N@@H+](Cn2nc(C3CC3)n(-c3cccc(NC(C)=O)c3)c2=S)C1 ZINC000042095509 821264335 /nfs/dbraw/zinc/26/43/35/821264335.db2.gz BZWNRGWKDLBXIN-MRXNPFEDSA-N 1 2 399.564 4.319 20 0 GIADLO Cc1cc(OC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)ccc1Cl ZINC000060549984 823541379 /nfs/dbraw/zinc/54/13/79/823541379.db2.gz MCKJXSBKAAQAHY-UHFFFAOYSA-N 1 2 383.835 4.093 20 0 GIADLO COc1ncccc1C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000042226294 821287986 /nfs/dbraw/zinc/28/79/86/821287986.db2.gz BCLKYBGVSQQHDN-UHFFFAOYSA-N 1 2 391.302 4.240 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)NCCCSc3ccccc3)cn2c1 ZINC000042378630 821305313 /nfs/dbraw/zinc/30/53/13/821305313.db2.gz PNITTZVUQPSXMN-UHFFFAOYSA-N 1 2 385.558 4.175 20 0 GIADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000042385589 821305754 /nfs/dbraw/zinc/30/57/54/821305754.db2.gz OWQLDXTUNDHHAS-NSHDSACASA-N 1 2 385.302 4.417 20 0 GIADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000042385589 821305763 /nfs/dbraw/zinc/30/57/63/821305763.db2.gz OWQLDXTUNDHHAS-NSHDSACASA-N 1 2 385.302 4.417 20 0 GIADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000042563675 821310112 /nfs/dbraw/zinc/31/01/12/821310112.db2.gz NKBJXSBCCRVXGF-HNNXBMFYSA-N 1 2 390.886 4.487 20 0 GIADLO CC(C)(C)C[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C(F)(F)F ZINC000180625090 821373704 /nfs/dbraw/zinc/37/37/04/821373704.db2.gz KLLSJEJYAZRJAM-MRXNPFEDSA-N 1 2 396.457 4.140 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)nc(C(C)C)[nH+]1 ZINC000043174574 821374017 /nfs/dbraw/zinc/37/40/17/821374017.db2.gz KOYCVAIZYWBAAJ-UHFFFAOYSA-N 1 2 387.915 4.224 20 0 GIADLO CC(C)c1ccccc1NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000043230889 821377563 /nfs/dbraw/zinc/37/75/63/821377563.db2.gz ZNHCHHQJOQCUFT-UHFFFAOYSA-N 1 2 394.519 4.035 20 0 GIADLO CC[C@@H](CSC)[N@H+](C)Cc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000180664317 821387502 /nfs/dbraw/zinc/38/75/02/821387502.db2.gz ZEDLFZIUMITAJN-INIZCTEOSA-N 1 2 393.578 4.410 20 0 GIADLO CC[C@@H](CSC)[N@@H+](C)Cc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000180664317 821387512 /nfs/dbraw/zinc/38/75/12/821387512.db2.gz ZEDLFZIUMITAJN-INIZCTEOSA-N 1 2 393.578 4.410 20 0 GIADLO C[C@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000043306511 821389467 /nfs/dbraw/zinc/38/94/67/821389467.db2.gz IYULAUPLWYMLIV-QRVBRYPASA-N 1 2 381.520 4.221 20 0 GIADLO C[C@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000043306511 821389477 /nfs/dbraw/zinc/38/94/77/821389477.db2.gz IYULAUPLWYMLIV-QRVBRYPASA-N 1 2 381.520 4.221 20 0 GIADLO O=C(NCc1cccc(C(F)(F)F)c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517804 821421133 /nfs/dbraw/zinc/42/11/33/821421133.db2.gz POFZAJQIKVIZCS-UHFFFAOYSA-N 1 2 398.454 4.470 20 0 GIADLO COc1ccc([C@H](C)NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1F ZINC000043521632 821421840 /nfs/dbraw/zinc/42/18/40/821421840.db2.gz XLQRWFCBJANXIE-ZDUSSCGKSA-N 1 2 392.500 4.159 20 0 GIADLO COCCCOc1cc(C)ccc1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180740973 821428371 /nfs/dbraw/zinc/42/83/71/821428371.db2.gz CWEPHKPOFINHIV-QHCPKHFHSA-N 1 2 397.494 4.162 20 0 GIADLO FC(F)(F)c1ccc([C@@H]2C[N@H+](Cc3ccc(N4CCCC4)nc3)CCO2)cc1 ZINC000180776410 821449623 /nfs/dbraw/zinc/44/96/23/821449623.db2.gz GRKVHXMUUDLUPA-IBGZPJMESA-N 1 2 391.437 4.274 20 0 GIADLO FC(F)(F)c1ccc([C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)nc3)CCO2)cc1 ZINC000180776410 821449629 /nfs/dbraw/zinc/44/96/29/821449629.db2.gz GRKVHXMUUDLUPA-IBGZPJMESA-N 1 2 391.437 4.274 20 0 GIADLO CCC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)C1 ZINC000180778449 821451751 /nfs/dbraw/zinc/45/17/51/821451751.db2.gz CFFBRUCYSNPEET-VBKZILBWSA-N 1 2 378.850 4.308 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180814513 821475153 /nfs/dbraw/zinc/47/51/53/821475153.db2.gz OYQJYSSADUMJSI-MSOLQXFVSA-N 1 2 379.863 4.049 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180814513 821475157 /nfs/dbraw/zinc/47/51/57/821475157.db2.gz OYQJYSSADUMJSI-MSOLQXFVSA-N 1 2 379.863 4.049 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(-n2cccn2)cc1 ZINC000180816418 821476541 /nfs/dbraw/zinc/47/65/41/821476541.db2.gz GLFTXBOCWLFMBY-LBPRGKRZSA-N 1 2 399.376 4.190 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(-n2cccn2)cc1 ZINC000180822364 821480768 /nfs/dbraw/zinc/48/07/68/821480768.db2.gz OGMPNBOHURTOFH-ZDUSSCGKSA-N 1 2 381.386 4.051 20 0 GIADLO C[C@H](c1nnc(SC[C@H]2CCCCO2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000043940153 821492182 /nfs/dbraw/zinc/49/21/82/821492182.db2.gz WVSXHJKFOAQJFF-IEBWSBKVSA-N 1 2 386.565 4.475 20 0 GIADLO O=C(NCCn1cc[nH+]c1)c1oc2ccccc2c1CSCc1ccccc1 ZINC000043946172 821493356 /nfs/dbraw/zinc/49/33/56/821493356.db2.gz DWVJCUGNSCBSRW-UHFFFAOYSA-N 1 2 391.496 4.493 20 0 GIADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000180862827 821500180 /nfs/dbraw/zinc/50/01/80/821500180.db2.gz PWKQCNQOPQEWJN-HSZRJFAPSA-N 1 2 393.531 4.199 20 0 GIADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000180862827 821500187 /nfs/dbraw/zinc/50/01/87/821500187.db2.gz PWKQCNQOPQEWJN-HSZRJFAPSA-N 1 2 393.531 4.199 20 0 GIADLO O=C(Nc1cccc(OCC(F)(F)F)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000044310303 821567103 /nfs/dbraw/zinc/56/71/03/821567103.db2.gz BSQJLBLPSVOXKD-UHFFFAOYSA-N 1 2 399.438 4.039 20 0 GIADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000181013471 821593532 /nfs/dbraw/zinc/59/35/32/821593532.db2.gz MCDYNADUDLNHGU-OAHLLOKOSA-N 1 2 383.879 4.390 20 0 GIADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000181013471 821593536 /nfs/dbraw/zinc/59/35/36/821593536.db2.gz MCDYNADUDLNHGU-OAHLLOKOSA-N 1 2 383.879 4.390 20 0 GIADLO CC(C)(C)c1noc(CCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000044567105 821609665 /nfs/dbraw/zinc/60/96/65/821609665.db2.gz BWOMWOLAYYRSHJ-UHFFFAOYSA-N 1 2 393.491 4.138 20 0 GIADLO C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568196 821610174 /nfs/dbraw/zinc/61/01/74/821610174.db2.gz QGGXDKRPJVSSDV-QGZVFWFLSA-N 1 2 375.472 4.430 20 0 GIADLO COc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(OC)c1 ZINC000044568726 821611030 /nfs/dbraw/zinc/61/10/30/821611030.db2.gz RWQDTEVBWBBYSL-UHFFFAOYSA-N 1 2 377.444 4.156 20 0 GIADLO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2csc(NC(C)=O)n2)cc1 ZINC000181136003 821655850 /nfs/dbraw/zinc/65/58/50/821655850.db2.gz UFNNWJFZGLWNDC-HXUWFJFHSA-N 1 2 399.491 4.323 20 0 GIADLO Cn1c(Cl)cnc1C[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000181142831 821660444 /nfs/dbraw/zinc/66/04/44/821660444.db2.gz CZFFKPWRFNJWGP-UHFFFAOYSA-N 1 2 379.689 4.016 20 0 GIADLO Cn1c(Cl)cnc1C[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000181142831 821660450 /nfs/dbraw/zinc/66/04/50/821660450.db2.gz CZFFKPWRFNJWGP-UHFFFAOYSA-N 1 2 379.689 4.016 20 0 GIADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181155614 821668719 /nfs/dbraw/zinc/66/87/19/821668719.db2.gz IPBBDFGOBMRTAR-KRWDZBQOSA-N 1 2 392.503 4.088 20 0 GIADLO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181155614 821668725 /nfs/dbraw/zinc/66/87/25/821668725.db2.gz IPBBDFGOBMRTAR-KRWDZBQOSA-N 1 2 392.503 4.088 20 0 GIADLO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181155614 821668731 /nfs/dbraw/zinc/66/87/31/821668731.db2.gz IPBBDFGOBMRTAR-KRWDZBQOSA-N 1 2 392.503 4.088 20 0 GIADLO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181155614 821668736 /nfs/dbraw/zinc/66/87/36/821668736.db2.gz IPBBDFGOBMRTAR-KRWDZBQOSA-N 1 2 392.503 4.088 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)no2)cc1 ZINC000181179838 821680970 /nfs/dbraw/zinc/68/09/70/821680970.db2.gz FFVRYRFBTQYCHW-UZLBHIALSA-N 1 2 379.460 4.003 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC[C@H]3C(F)(F)F)CC2)cc1 ZINC000044918760 821681130 /nfs/dbraw/zinc/68/11/30/821681130.db2.gz WPUKDFXYXWRYHN-RBUKOAKNSA-N 1 2 398.469 4.098 20 0 GIADLO COc1cccc2[nH]cc(CC(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)c21 ZINC000181192372 821687725 /nfs/dbraw/zinc/68/77/25/821687725.db2.gz LWJGXYMONJGKKE-UHFFFAOYSA-N 1 2 380.835 4.197 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc(OC)c(OC)c3)n2)cc1 ZINC000045004343 821689158 /nfs/dbraw/zinc/68/91/58/821689158.db2.gz QQCWCCVUSDSSHS-GOSISDBHSA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc(OC)c(OC)c3)n2)cc1 ZINC000045004343 821689160 /nfs/dbraw/zinc/68/91/60/821689160.db2.gz QQCWCCVUSDSSHS-GOSISDBHSA-N 1 2 395.459 4.100 20 0 GIADLO C[C@H](NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1nc2c(s1)CCCC2 ZINC000181194714 821689717 /nfs/dbraw/zinc/68/97/17/821689717.db2.gz ZHWVPIYJJNBVDJ-KURKYZTESA-N 1 2 399.604 4.482 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181211626 821699471 /nfs/dbraw/zinc/69/94/71/821699471.db2.gz CFNJRSLIWDKVQU-CHWSQXEVSA-N 1 2 384.904 4.141 20 0 GIADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2Cl)ccc1S(C)(=O)=O ZINC000181212950 821700289 /nfs/dbraw/zinc/70/02/89/821700289.db2.gz WIAZDKXJBWRYLY-NEPJUHHUSA-N 1 2 385.888 4.303 20 0 GIADLO Fc1ccc(OCc2noc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181233174 821710279 /nfs/dbraw/zinc/71/02/79/821710279.db2.gz UPLYHVNPISLGMI-UZLBHIALSA-N 1 2 397.450 4.045 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@H]2CCCOc3c(F)cccc32)nnn1-c1ccc(F)cc1 ZINC000181323577 821758890 /nfs/dbraw/zinc/75/88/90/821758890.db2.gz MUDKNEVYZRSQIU-YJYMSZOUSA-N 1 2 384.430 4.418 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@H]2CCCOc3c(F)cccc32)nnn1-c1ccc(F)cc1 ZINC000181323596 821759060 /nfs/dbraw/zinc/75/90/60/821759060.db2.gz MUDKNEVYZRSQIU-DJJJIMSYSA-N 1 2 384.430 4.418 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)n2)cc1 ZINC000181351468 821780293 /nfs/dbraw/zinc/78/02/93/821780293.db2.gz JRSJUGDSLGVZBJ-MRXNPFEDSA-N 1 2 390.487 4.277 20 0 GIADLO CO[C@H](C)CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000181351677 821780322 /nfs/dbraw/zinc/78/03/22/821780322.db2.gz HMRNXQGBKQYBAY-GOSISDBHSA-N 1 2 377.488 4.030 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@H+](Cc2ccccn2)C2CC2)c2cccs2)cc1 ZINC000181364450 821789825 /nfs/dbraw/zinc/78/98/25/821789825.db2.gz FSKJDWUSYQKPCH-QHCPKHFHSA-N 1 2 391.540 4.322 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@@H+](Cc2ccccn2)C2CC2)c2cccs2)cc1 ZINC000181364450 821789829 /nfs/dbraw/zinc/78/98/29/821789829.db2.gz FSKJDWUSYQKPCH-QHCPKHFHSA-N 1 2 391.540 4.322 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2)no1 ZINC000181393820 821804413 /nfs/dbraw/zinc/80/44/13/821804413.db2.gz XQTQIFXZTWSDHF-JKSUJKDBSA-N 1 2 376.460 4.275 20 0 GIADLO Clc1ccc(O[C@@H]2CC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1Cl ZINC000181426957 821821271 /nfs/dbraw/zinc/82/12/71/821821271.db2.gz IBWLPMPWYRZACG-OAHLLOKOSA-N 1 2 393.318 4.451 20 0 GIADLO Clc1ccc(O[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1Cl ZINC000181426957 821821277 /nfs/dbraw/zinc/82/12/77/821821277.db2.gz IBWLPMPWYRZACG-OAHLLOKOSA-N 1 2 393.318 4.451 20 0 GIADLO Cc1nscc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181498552 821854878 /nfs/dbraw/zinc/85/48/78/821854878.db2.gz JHERMWQHWIRPQP-UHFFFAOYSA-N 1 2 384.332 4.153 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000181500341 821855495 /nfs/dbraw/zinc/85/54/95/821855495.db2.gz MIOHGBXEJAHUCD-OAQYLSRUSA-N 1 2 379.483 4.439 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(Br)s2)no1)c1cccc(O)c1 ZINC000181554934 821879667 /nfs/dbraw/zinc/87/96/67/821879667.db2.gz VOJUAPSHNXECIM-VIFPVBQESA-N 1 2 380.267 4.117 20 0 GIADLO Cc1csc([C@@H]([NH2+]Cc2cc3c(cc2Br)OCCO3)C2CC2)n1 ZINC000181621899 821907786 /nfs/dbraw/zinc/90/77/86/821907786.db2.gz GZQDNRIJJDLGQD-INIZCTEOSA-N 1 2 395.322 4.226 20 0 GIADLO COC[C@@H]([NH2+]Cc1csc(-c2ccc(OC)cc2OC)n1)c1ccccc1 ZINC000181647674 821921534 /nfs/dbraw/zinc/92/15/34/821921534.db2.gz GHNYURVQUNBONS-LJQANCHMSA-N 1 2 384.501 4.305 20 0 GIADLO CC[C@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccc(C)cc1 ZINC000181710433 821954451 /nfs/dbraw/zinc/95/44/51/821954451.db2.gz MFOWUGIYAQFHAF-SFHVURJKSA-N 1 2 398.507 4.157 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1c(F)cccc1Cl ZINC000181760381 821980227 /nfs/dbraw/zinc/98/02/27/821980227.db2.gz RPXYCWVJXGESQX-LLVKDONJSA-N 1 2 392.780 4.314 20 0 GIADLO CC(C)C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1nc(-c2nc[nH]n2)no1 ZINC000181946700 822042879 /nfs/dbraw/zinc/04/28/79/822042879.db2.gz XKJUIHINKKGOLV-MRXNPFEDSA-N 1 2 396.426 4.131 20 0 GIADLO CCS[C@H](C)c1noc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000181974578 822049887 /nfs/dbraw/zinc/04/98/87/822049887.db2.gz ZFXXJXAAODBMEF-ACJLOTCBSA-N 1 2 377.510 4.142 20 0 GIADLO COc1cc(C[NH2+]Cc2cccc(Cl)c2O)cc(Br)c1OC ZINC000182198120 822143118 /nfs/dbraw/zinc/14/31/18/822143118.db2.gz YYZPQPVPXDHYBC-UHFFFAOYSA-N 1 2 386.673 4.115 20 0 GIADLO Cc1sc2nc(C[NH2+][C@H](C)c3ccc(OC(F)(F)F)cc3)[nH]c(=O)c2c1C ZINC000182519571 822279619 /nfs/dbraw/zinc/27/96/19/822279619.db2.gz KWYVBDJLPASGPN-SNVBAGLBSA-N 1 2 397.422 4.351 20 0 GIADLO COC(=O)c1sc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)nc1C1CCCC1 ZINC000182530916 822285594 /nfs/dbraw/zinc/28/55/94/822285594.db2.gz OIBVMZWNDBURDZ-UHFFFAOYSA-N 1 2 396.472 4.025 20 0 GIADLO O=C(NCc1ccc(Cl)cc1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178056623 822303755 /nfs/dbraw/zinc/30/37/55/822303755.db2.gz FZRVOWUIAGZTLQ-WOJBJXKFSA-N 1 2 380.879 4.265 20 0 GIADLO O=C(Nc1nc(C2CC2)cs1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178057049 822303822 /nfs/dbraw/zinc/30/38/22/822303822.db2.gz CNBLCRBMBQMXFE-ZWKOTPCHSA-N 1 2 379.489 4.267 20 0 GIADLO O=C(Nc1nc(C2CC2)cs1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178057082 822303865 /nfs/dbraw/zinc/30/38/65/822303865.db2.gz CNBLCRBMBQMXFE-ROUUACIJSA-N 1 2 379.489 4.267 20 0 GIADLO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000182628449 822329491 /nfs/dbraw/zinc/32/94/91/822329491.db2.gz ZHWCZEDOGJBNKN-GFCCVEGCSA-N 1 2 387.365 4.278 20 0 GIADLO O=C(Nc1ccc2c(c1)CCCO2)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178146497 822332790 /nfs/dbraw/zinc/33/27/90/822332790.db2.gz LROJENDVIVDBLR-IFMALSPDSA-N 1 2 388.471 4.258 20 0 GIADLO CCc1nc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)sc1C ZINC000178178233 822343242 /nfs/dbraw/zinc/34/32/42/822343242.db2.gz JMAYZSFZIOXKOE-MSOLQXFVSA-N 1 2 381.505 4.261 20 0 GIADLO CCc1nc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)sc1C ZINC000178178190 822343262 /nfs/dbraw/zinc/34/32/62/822343262.db2.gz JMAYZSFZIOXKOE-ZWKOTPCHSA-N 1 2 381.505 4.261 20 0 GIADLO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1OCc1ccccc1 ZINC000178284105 822363260 /nfs/dbraw/zinc/36/32/60/822363260.db2.gz MTWHGMQUGUJFSW-SFHVURJKSA-N 1 2 376.504 4.434 20 0 GIADLO COc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)c3cc(OC)c(OC)cc3C)n2)cc1 ZINC000178384069 822373626 /nfs/dbraw/zinc/37/36/26/822373626.db2.gz DOYBEBPLCUAQAS-CABCVRRESA-N 1 2 397.475 4.483 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000178409063 822376499 /nfs/dbraw/zinc/37/64/99/822376499.db2.gz NLJXSMOMSOLQMU-UHFFFAOYSA-N 1 2 389.912 4.138 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(F)cc2)cc1 ZINC000045294163 822376726 /nfs/dbraw/zinc/37/67/26/822376726.db2.gz PYJKAFLOEJOVME-UHFFFAOYSA-N 1 2 381.451 4.154 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3csc(-c4ccco4)n3)C2)n1 ZINC000182846686 822377899 /nfs/dbraw/zinc/37/78/99/822377899.db2.gz QUPZVPVOKOJBAT-ZDUSSCGKSA-N 1 2 382.411 4.456 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3csc(-c4ccco4)n3)C2)n1 ZINC000182846686 822377902 /nfs/dbraw/zinc/37/79/02/822377902.db2.gz QUPZVPVOKOJBAT-ZDUSSCGKSA-N 1 2 382.411 4.456 20 0 GIADLO Cc1cccc(-c2cncc(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)c2)c1 ZINC000178457308 822380931 /nfs/dbraw/zinc/38/09/31/822380931.db2.gz ORWJFISXPDFXIX-UHFFFAOYSA-N 1 2 382.467 4.232 20 0 GIADLO COc1ccc(-c2nc(C[N@H+](C)[C@H]3CCCc4c3cnn4C)cs2)cc1OC ZINC000178491322 822384771 /nfs/dbraw/zinc/38/47/71/822384771.db2.gz ANRNYTCLXBHMTO-KRWDZBQOSA-N 1 2 398.532 4.070 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+](C)[C@H]3CCCc4c3cnn4C)cs2)cc1OC ZINC000178491322 822384775 /nfs/dbraw/zinc/38/47/75/822384775.db2.gz ANRNYTCLXBHMTO-KRWDZBQOSA-N 1 2 398.532 4.070 20 0 GIADLO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCc2ccccc2C1 ZINC000045471219 822389138 /nfs/dbraw/zinc/38/91/38/822389138.db2.gz YOPWSEIILQNDHU-JOCHJYFZSA-N 1 2 394.565 4.342 20 0 GIADLO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCc2ccccc2C1 ZINC000045471219 822389143 /nfs/dbraw/zinc/38/91/43/822389143.db2.gz YOPWSEIILQNDHU-JOCHJYFZSA-N 1 2 394.565 4.342 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc2c(c1O)CCCC2 ZINC000182909751 822390894 /nfs/dbraw/zinc/39/08/94/822390894.db2.gz QGWBPJRDBYEASO-UHFFFAOYSA-N 1 2 393.531 4.045 20 0 GIADLO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000182912521 822391563 /nfs/dbraw/zinc/39/15/63/822391563.db2.gz FGXCRDPHVKPQQW-INIZCTEOSA-N 1 2 391.450 4.497 20 0 GIADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045606017 822399335 /nfs/dbraw/zinc/39/93/35/822399335.db2.gz QXFDISYUUNGXGZ-INIZCTEOSA-N 1 2 382.895 4.487 20 0 GIADLO CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045606313 822399525 /nfs/dbraw/zinc/39/95/25/822399525.db2.gz VIUROSLCTDUBQA-UHFFFAOYSA-N 1 2 388.924 4.378 20 0 GIADLO CC[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccccc1OCC(=O)N(C)C ZINC000182956340 822399624 /nfs/dbraw/zinc/39/96/24/822399624.db2.gz NXILIQFDQQMHSZ-HXUWFJFHSA-N 1 2 381.520 4.099 20 0 GIADLO CC[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccccc1OCC(=O)N(C)C ZINC000182956340 822399627 /nfs/dbraw/zinc/39/96/27/822399627.db2.gz NXILIQFDQQMHSZ-HXUWFJFHSA-N 1 2 381.520 4.099 20 0 GIADLO CC(C)(C)[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1nc(-c2nc[nH]n2)no1 ZINC000178678632 822402194 /nfs/dbraw/zinc/40/21/94/822402194.db2.gz AXFSPCGUOGPYNC-MRXNPFEDSA-N 1 2 396.426 4.131 20 0 GIADLO CC(C)c1cnc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)s1 ZINC000183006889 822410372 /nfs/dbraw/zinc/41/03/72/822410372.db2.gz NGXHOARFPUYZEX-UHFFFAOYSA-N 1 2 376.501 4.192 20 0 GIADLO CC(C)(NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Br)cc1 ZINC000045757461 822411022 /nfs/dbraw/zinc/41/10/22/822411022.db2.gz HOYRVZFRYZNKHE-UHFFFAOYSA-N 1 2 398.304 4.359 20 0 GIADLO Cc1cc([C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)c2ccccc2Cl)ccc1F ZINC000183027421 822413914 /nfs/dbraw/zinc/41/39/14/822413914.db2.gz CHSVYLJUHJKSHK-KXBFYZLASA-N 1 2 381.900 4.044 20 0 GIADLO Oc1c(Cl)cccc1C[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000183069166 822420290 /nfs/dbraw/zinc/42/02/90/822420290.db2.gz LHNXSHROQVFNHO-UHFFFAOYSA-N 1 2 385.817 4.218 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccccc1-n1cccn1 ZINC000183141459 822430213 /nfs/dbraw/zinc/43/02/13/822430213.db2.gz FRYZFWRHMMOOKQ-CYBMUJFWSA-N 1 2 381.386 4.051 20 0 GIADLO Cc1sc2ncnc(SCC(=O)Nc3cccc(-n4cc[nH+]c4)c3)c2c1C ZINC000046106012 822441535 /nfs/dbraw/zinc/44/15/35/822441535.db2.gz POSHVRWEYRCHCU-UHFFFAOYSA-N 1 2 395.513 4.225 20 0 GIADLO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000179160472 822445902 /nfs/dbraw/zinc/44/59/02/822445902.db2.gz DGMBTXWNDKESHF-DFSFMLJYSA-N 1 2 395.812 4.076 20 0 GIADLO O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183240027 822446733 /nfs/dbraw/zinc/44/67/33/822446733.db2.gz BHPGTBCRNPSSIQ-UHFFFAOYSA-N 1 2 381.395 4.328 20 0 GIADLO Cc1ccc([C@@H](CN[C@@H](C)c2ncc(Br)s2)[NH+]2CCCC2)o1 ZINC000179221726 822453321 /nfs/dbraw/zinc/45/33/21/822453321.db2.gz KCHGTQWTIHVJBC-QWHCGFSZSA-N 1 2 384.343 4.295 20 0 GIADLO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)CCC2 ZINC000179229703 822454254 /nfs/dbraw/zinc/45/42/54/822454254.db2.gz ZRGPDZKYONKVPS-MSOLQXFVSA-N 1 2 391.284 4.090 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cnn1C ZINC000183307541 822456702 /nfs/dbraw/zinc/45/67/02/822456702.db2.gz HOXJZVCZWVLCAM-UWVGGRQHSA-N 1 2 380.279 4.497 20 0 GIADLO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000454326358 822458147 /nfs/dbraw/zinc/45/81/47/822458147.db2.gz GJTRHTZXZKFHLU-FQEVSTJZSA-N 1 2 382.483 4.045 20 0 GIADLO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454329088 822458584 /nfs/dbraw/zinc/45/85/84/822458584.db2.gz SYOKQCGZBJFVGH-JOCHJYFZSA-N 1 2 392.478 4.426 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2csc(-c3ccco3)n2)C[C@H](C)O1 ZINC000046340778 822462719 /nfs/dbraw/zinc/46/27/19/822462719.db2.gz XLJMRNIZQXNMJK-GASCZTMLSA-N 1 2 397.500 4.265 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2csc(-c3ccco3)n2)C[C@H](C)O1 ZINC000046340778 822462720 /nfs/dbraw/zinc/46/27/20/822462720.db2.gz XLJMRNIZQXNMJK-GASCZTMLSA-N 1 2 397.500 4.265 20 0 GIADLO COc1ccc(Cl)cc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000046341150 822463118 /nfs/dbraw/zinc/46/31/18/822463118.db2.gz MDNCDWPQIFPCCC-GJZGRUSLSA-N 1 2 388.895 4.210 20 0 GIADLO Cc1ccccc1SCC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000046340854 822463135 /nfs/dbraw/zinc/46/31/35/822463135.db2.gz RSWMEZAOGMKEAN-ROUUACIJSA-N 1 2 384.545 4.335 20 0 GIADLO Cc1ccc(SCC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046340962 822463140 /nfs/dbraw/zinc/46/31/40/822463140.db2.gz QEKSJZDDPIHOTQ-HDICACEKSA-N 1 2 384.545 4.335 20 0 GIADLO Cc1ccc(SCC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046340962 822463142 /nfs/dbraw/zinc/46/31/42/822463142.db2.gz QEKSJZDDPIHOTQ-HDICACEKSA-N 1 2 384.545 4.335 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cnn1C ZINC000183358059 822463343 /nfs/dbraw/zinc/46/33/43/822463343.db2.gz NPOGRZNTQPHYMV-WDEREUQCSA-N 1 2 379.386 4.209 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(OC(F)F)c2)C[C@H](C)O1 ZINC000046341963 822463600 /nfs/dbraw/zinc/46/36/00/822463600.db2.gz OYWCKSMZUPAQTP-GJZGRUSLSA-N 1 2 390.430 4.150 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(Cl)cc2F)C[C@H](C)O1 ZINC000046342670 822463620 /nfs/dbraw/zinc/46/36/20/822463620.db2.gz WOGNGDFCGVJKLE-OKILXGFUSA-N 1 2 376.859 4.341 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(Cl)cc2F)C[C@H](C)O1 ZINC000046342670 822463622 /nfs/dbraw/zinc/46/36/22/822463622.db2.gz WOGNGDFCGVJKLE-OKILXGFUSA-N 1 2 376.859 4.341 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(F)c(F)cc2Cl)C[C@H](C)O1 ZINC000046343741 822463763 /nfs/dbraw/zinc/46/37/63/822463763.db2.gz RXSAAFZQIBKDJI-BETUJISGSA-N 1 2 394.849 4.480 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(F)c(F)cc2Cl)C[C@H](C)O1 ZINC000046343741 822463767 /nfs/dbraw/zinc/46/37/67/822463767.db2.gz RXSAAFZQIBKDJI-BETUJISGSA-N 1 2 394.849 4.480 20 0 GIADLO Cc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc2n1 ZINC000046344074 822463792 /nfs/dbraw/zinc/46/37/92/822463792.db2.gz PGOUSQJJCNJQHY-QZTJIDSGSA-N 1 2 389.499 4.405 20 0 GIADLO CCc1nn(C)c(Cl)c1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000179326188 822466568 /nfs/dbraw/zinc/46/65/68/822466568.db2.gz GQAVAUMAHNAKCV-UHFFFAOYSA-N 1 2 383.883 4.088 20 0 GIADLO COCCO[C@@H]1CCC[N@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000179337747 822467756 /nfs/dbraw/zinc/46/77/56/822467756.db2.gz PEXUOJGGPBBEFZ-GOSISDBHSA-N 1 2 396.940 4.003 20 0 GIADLO COCCO[C@@H]1CCC[N@@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000179337747 822467759 /nfs/dbraw/zinc/46/77/59/822467759.db2.gz PEXUOJGGPBBEFZ-GOSISDBHSA-N 1 2 396.940 4.003 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccccc1 ZINC000183402977 822468667 /nfs/dbraw/zinc/46/86/67/822468667.db2.gz GTIXEIHBBBGDFJ-OPAMFIHVSA-N 1 2 392.503 4.076 20 0 GIADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000179380453 822474024 /nfs/dbraw/zinc/47/40/24/822474024.db2.gz WUXJCSDMMSZWMH-UHFFFAOYSA-N 1 2 395.347 4.320 20 0 GIADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000179380453 822474025 /nfs/dbraw/zinc/47/40/25/822474025.db2.gz WUXJCSDMMSZWMH-UHFFFAOYSA-N 1 2 395.347 4.320 20 0 GIADLO O=S(=O)(Cc1ccccc1)Cc1cccc(NCc2cccc3[nH+]ccn32)c1 ZINC000179430385 822481365 /nfs/dbraw/zinc/48/13/65/822481365.db2.gz FRRMGMNNUSHOTR-UHFFFAOYSA-N 1 2 391.496 4.061 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000179467574 822487026 /nfs/dbraw/zinc/48/70/26/822487026.db2.gz QPNOPFMKAUJJIQ-QGZVFWFLSA-N 1 2 381.303 4.214 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000179467574 822487029 /nfs/dbraw/zinc/48/70/29/822487029.db2.gz QPNOPFMKAUJJIQ-QGZVFWFLSA-N 1 2 381.303 4.214 20 0 GIADLO COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccn1 ZINC000179481628 822488913 /nfs/dbraw/zinc/48/89/13/822488913.db2.gz DKVGWQOJDAMUHG-SBUREZEXSA-N 1 2 385.471 4.111 20 0 GIADLO COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccccn1 ZINC000179482381 822489207 /nfs/dbraw/zinc/48/92/07/822489207.db2.gz MNNQKNZKLQIZKO-WAIKUNEKSA-N 1 2 376.456 4.302 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000179483038 822489304 /nfs/dbraw/zinc/48/93/04/822489304.db2.gz MCRRTAMNRYPUEW-UHFFFAOYSA-N 1 2 383.542 4.220 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000179483038 822489306 /nfs/dbraw/zinc/48/93/06/822489306.db2.gz MCRRTAMNRYPUEW-UHFFFAOYSA-N 1 2 383.542 4.220 20 0 GIADLO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc([S@@](C)=O)cc1)c1ccccn1 ZINC000179483704 822489535 /nfs/dbraw/zinc/48/95/35/822489535.db2.gz RCKQJYPPKGNHGC-DVHSGQJCSA-N 1 2 380.513 4.268 20 0 GIADLO COCCc1nc(C)c([C@H](C)[NH2+][C@@H](c2ccccn2)c2ccccc2OC)s1 ZINC000179484250 822489581 /nfs/dbraw/zinc/48/95/81/822489581.db2.gz NRFJKCQAPAGZDQ-HRAATJIYSA-N 1 2 397.544 4.484 20 0 GIADLO COCCc1nc(C)c([C@@H](C)[NH2+][C@H](c2ccccn2)c2ccccc2OC)s1 ZINC000179484227 822489621 /nfs/dbraw/zinc/48/96/21/822489621.db2.gz NRFJKCQAPAGZDQ-IERDGZPVSA-N 1 2 397.544 4.484 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000183594828 822498963 /nfs/dbraw/zinc/49/89/63/822498963.db2.gz MVRWQUUXWHWIFP-JUZXBQNTSA-N 1 2 376.469 4.401 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000183594828 822498965 /nfs/dbraw/zinc/49/89/65/822498965.db2.gz MVRWQUUXWHWIFP-JUZXBQNTSA-N 1 2 376.469 4.401 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@@H+](C)Cc2cc(Br)cn2C)s1 ZINC000183606231 822500392 /nfs/dbraw/zinc/50/03/92/822500392.db2.gz BGYRXOGESPEKQX-UHFFFAOYSA-N 1 2 382.249 4.203 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@H+](C)Cc2cc(Br)cn2C)s1 ZINC000183606231 822500394 /nfs/dbraw/zinc/50/03/94/822500394.db2.gz BGYRXOGESPEKQX-UHFFFAOYSA-N 1 2 382.249 4.203 20 0 GIADLO CSc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000179545590 822500686 /nfs/dbraw/zinc/50/06/86/822500686.db2.gz DTNJOTOWEUQQRD-MSOLQXFVSA-N 1 2 377.460 4.254 20 0 GIADLO CSc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000179545590 822500687 /nfs/dbraw/zinc/50/06/87/822500687.db2.gz DTNJOTOWEUQQRD-MSOLQXFVSA-N 1 2 377.460 4.254 20 0 GIADLO O=C1CCCN1C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000179554117 822502587 /nfs/dbraw/zinc/50/25/87/822502587.db2.gz GVBYQSRFNHEOBR-HXUWFJFHSA-N 1 2 397.425 4.073 20 0 GIADLO CCC[N@@H+](Cc1cccc(Cl)c1O)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000179585632 822507276 /nfs/dbraw/zinc/50/72/76/822507276.db2.gz SMMVHDZXKDNSLG-UHFFFAOYSA-N 1 2 392.286 4.348 20 0 GIADLO CCC[N@H+](Cc1cccc(Cl)c1O)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000179585632 822507278 /nfs/dbraw/zinc/50/72/78/822507278.db2.gz SMMVHDZXKDNSLG-UHFFFAOYSA-N 1 2 392.286 4.348 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000046729782 822510648 /nfs/dbraw/zinc/51/06/48/822510648.db2.gz OYYFIKSFUMJXQP-UHFFFAOYSA-N 1 2 385.467 4.440 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3ccnn3C(C)C)CC2)c(C)c1 ZINC000046780512 822516568 /nfs/dbraw/zinc/51/65/68/822516568.db2.gz RFRLBUYAOSDABS-SFHVURJKSA-N 1 2 396.535 4.003 20 0 GIADLO O=C(CCSCc1cccc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000046835234 822522308 /nfs/dbraw/zinc/52/23/08/822522308.db2.gz DFNLVPOBHWKVJB-UHFFFAOYSA-N 1 2 391.540 4.207 20 0 GIADLO C[C@H](c1cccc(NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)c1)[NH+]1CCOCC1 ZINC000454736750 822525338 /nfs/dbraw/zinc/52/53/38/822525338.db2.gz JPUFSGONCUAGFC-DYESRHJHSA-N 1 2 395.503 4.432 20 0 GIADLO Cc1ccc(CN(C)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1C ZINC000454747987 822527501 /nfs/dbraw/zinc/52/75/01/822527501.db2.gz UGTHVQZPKRVHOB-IBGZPJMESA-N 1 2 381.520 4.361 20 0 GIADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000179696091 822529470 /nfs/dbraw/zinc/52/94/70/822529470.db2.gz IHFNQGCXDVFXHN-LBPRGKRZSA-N 1 2 377.242 4.070 20 0 GIADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000179696091 822529473 /nfs/dbraw/zinc/52/94/73/822529473.db2.gz IHFNQGCXDVFXHN-LBPRGKRZSA-N 1 2 377.242 4.070 20 0 GIADLO CN(Cc1csc2ccccc12)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046921449 822531258 /nfs/dbraw/zinc/53/12/58/822531258.db2.gz SPKIANAWBJPSBQ-UHFFFAOYSA-N 1 2 390.512 4.488 20 0 GIADLO FC(F)Oc1ccc([C@@H]([NH2+]Cc2nnc3ccccn32)c2ccccc2)cc1 ZINC000183823519 822532348 /nfs/dbraw/zinc/53/23/48/822532348.db2.gz GZURTKOGEIDFAS-FQEVSTJZSA-N 1 2 380.398 4.210 20 0 GIADLO Cc1cccc(NC(=O)CN2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)c1C ZINC000179711197 822532634 /nfs/dbraw/zinc/53/26/34/822532634.db2.gz SNIIWUOVZFFGSM-GQCTYLIASA-N 1 2 397.950 4.226 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000046943953 822533302 /nfs/dbraw/zinc/53/33/02/822533302.db2.gz WDDHPXBIXWOPPU-UHFFFAOYSA-N 1 2 395.488 4.019 20 0 GIADLO CCc1ccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000046945526 822533534 /nfs/dbraw/zinc/53/35/34/822533534.db2.gz VKKPHPJDZVXXLF-HZPDHXFCSA-N 1 2 387.549 4.241 20 0 GIADLO CCc1ccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000046945527 822533545 /nfs/dbraw/zinc/53/35/45/822533545.db2.gz VKKPHPJDZVXXLF-HOTGVXAUSA-N 1 2 387.549 4.241 20 0 GIADLO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(Cc2ccccc2)no1 ZINC000179727819 822536461 /nfs/dbraw/zinc/53/64/61/822536461.db2.gz KWOFDGZDFJNVMA-IVZQSRNASA-N 1 2 391.471 4.234 20 0 GIADLO Cc1ccccc1-c1nc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)no1 ZINC000179733062 822537732 /nfs/dbraw/zinc/53/77/32/822537732.db2.gz MHIQXIOUVQBFOV-NRFANRHFSA-N 1 2 377.444 4.057 20 0 GIADLO O=C(c1cnc(-c2ccccc2)s1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000047065000 822541723 /nfs/dbraw/zinc/54/17/23/822541723.db2.gz ONOXFOFJPRGPKI-UHFFFAOYSA-N 1 2 395.503 4.297 20 0 GIADLO O=C(c1cnc(-c2ccccc2)s1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000047065000 822541725 /nfs/dbraw/zinc/54/17/25/822541725.db2.gz ONOXFOFJPRGPKI-UHFFFAOYSA-N 1 2 395.503 4.297 20 0 GIADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000179754076 822543592 /nfs/dbraw/zinc/54/35/92/822543592.db2.gz IECDMECMNHGNHG-MRXNPFEDSA-N 1 2 381.432 4.105 20 0 GIADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)s1 ZINC000183961021 822554400 /nfs/dbraw/zinc/55/44/00/822554400.db2.gz RRPAOKXNIVDTBV-UHFFFAOYSA-N 1 2 389.855 4.170 20 0 GIADLO COc1ccc([C@@H]([NH2+]Cc2cc(-c3cnn(C)c3)no2)c2ccc(F)cc2)cc1 ZINC000183998350 822560780 /nfs/dbraw/zinc/56/07/80/822560780.db2.gz XDWRPXCUCCYAEM-QFIPXVFZSA-N 1 2 392.434 4.102 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000454993628 822567395 /nfs/dbraw/zinc/56/73/95/822567395.db2.gz OPFVNLRADJWORP-IMFGXOCKSA-N 1 2 394.519 4.025 20 0 GIADLO Cc1cc([C@H]2CCCN2C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)on1 ZINC000047377868 822572784 /nfs/dbraw/zinc/57/27/84/822572784.db2.gz GFNSOAIQKGYBPW-XJKSGUPXSA-N 1 2 389.525 4.040 20 0 GIADLO Cc1cc([C@H]2CCCN2C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)on1 ZINC000047377868 822572786 /nfs/dbraw/zinc/57/27/86/822572786.db2.gz GFNSOAIQKGYBPW-XJKSGUPXSA-N 1 2 389.525 4.040 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(C)ccn1 ZINC000184092765 822576731 /nfs/dbraw/zinc/57/67/31/822576731.db2.gz PLAMSAOUMSGMHX-UHFFFAOYSA-N 1 2 393.491 4.110 20 0 GIADLO Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000047436327 822578822 /nfs/dbraw/zinc/57/88/22/822578822.db2.gz LAULXSCSGWBRLZ-UHFFFAOYSA-N 1 2 395.484 4.193 20 0 GIADLO CC(C)[C@@H](NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21)c1ccc(F)cc1 ZINC000179931941 822579369 /nfs/dbraw/zinc/57/93/69/822579369.db2.gz TYSYLAGONJCXAE-QGZVFWFLSA-N 1 2 394.372 4.103 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000184137717 822584543 /nfs/dbraw/zinc/58/45/43/822584543.db2.gz KMKZNPDXFLOBGX-PXNSSMCTSA-N 1 2 379.529 4.202 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@H]2CCCOc3cc(F)ccc32)nnn1-c1ccc(F)cc1 ZINC000179963168 822586507 /nfs/dbraw/zinc/58/65/07/822586507.db2.gz BSYVRNUUNNIWHD-YJYMSZOUSA-N 1 2 384.430 4.418 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539289 822588556 /nfs/dbraw/zinc/58/85/56/822588556.db2.gz IPJNIXXNWBLXDP-UHFFFAOYSA-N 1 2 389.540 4.046 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000455107206 822589869 /nfs/dbraw/zinc/58/98/69/822589869.db2.gz KJGMXIZXSBXQBJ-GFCCVEGCSA-N 1 2 386.805 4.010 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2cccc(F)c2)C[C@@H](C)O1 ZINC000047569421 822591804 /nfs/dbraw/zinc/59/18/04/822591804.db2.gz VQZMIBKCTDCEJM-IAGOWNOFSA-N 1 2 385.483 4.099 20 0 GIADLO Cc1ccsc1CN(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000047569545 822591922 /nfs/dbraw/zinc/59/19/22/822591922.db2.gz HHRUAJFFAUWDDW-IRXDYDNUSA-N 1 2 387.549 4.330 20 0 GIADLO CC(C)COC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1ccco1 ZINC000184181075 822592078 /nfs/dbraw/zinc/59/20/78/822592078.db2.gz SVSGEWUMDUHPQJ-MRXNPFEDSA-N 1 2 384.398 4.240 20 0 GIADLO Cc1ccc([C@H](C)NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000047570170 822592130 /nfs/dbraw/zinc/59/21/30/822592130.db2.gz FCFCQXNZOQYEMG-QRVBRYPASA-N 1 2 381.520 4.487 20 0 GIADLO CC(C)COC[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccco1 ZINC000184196975 822594591 /nfs/dbraw/zinc/59/45/91/822594591.db2.gz MMYIDBYPJAIGBA-NRFANRHFSA-N 1 2 399.535 4.212 20 0 GIADLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(-c4ccc(F)cc4)o3)ccc2NC1=O ZINC000180007032 822594722 /nfs/dbraw/zinc/59/47/22/822594722.db2.gz OXJZUMZVMTXLOF-ACJLOTCBSA-N 1 2 395.434 4.441 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1 ZINC000184202274 822595415 /nfs/dbraw/zinc/59/54/15/822595415.db2.gz KVIHHEKSOVQMJZ-HNNXBMFYSA-N 1 2 397.548 4.224 20 0 GIADLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(-c4ccccc4F)o3)ccc2NC1=O ZINC000180012725 822596387 /nfs/dbraw/zinc/59/63/87/822596387.db2.gz SYDHWWCSOQFXMK-ACJLOTCBSA-N 1 2 395.434 4.441 20 0 GIADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184214424 822597290 /nfs/dbraw/zinc/59/72/90/822597290.db2.gz AMKKPFNTNSASDP-ZWKOTPCHSA-N 1 2 390.549 4.180 20 0 GIADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000184224192 822599039 /nfs/dbraw/zinc/59/90/39/822599039.db2.gz AUEQEMVIYAAMSJ-VQIMIIECSA-N 1 2 391.508 4.081 20 0 GIADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000184224192 822599041 /nfs/dbraw/zinc/59/90/41/822599041.db2.gz AUEQEMVIYAAMSJ-VQIMIIECSA-N 1 2 391.508 4.081 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1csc(Br)c1 ZINC000047698983 822600579 /nfs/dbraw/zinc/60/05/79/822600579.db2.gz FBPCOVXOFLLCFI-UHFFFAOYSA-N 1 2 397.338 4.370 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1csc(Br)c1 ZINC000047698983 822600581 /nfs/dbraw/zinc/60/05/81/822600581.db2.gz FBPCOVXOFLLCFI-UHFFFAOYSA-N 1 2 397.338 4.370 20 0 GIADLO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3c(F)cccc3F)c2)cc1 ZINC000047718324 822603737 /nfs/dbraw/zinc/60/37/37/822603737.db2.gz AIFIAWSEPXHRQZ-UHFFFAOYSA-N 1 2 380.438 4.493 20 0 GIADLO COc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cn1 ZINC000180051354 822604863 /nfs/dbraw/zinc/60/48/63/822604863.db2.gz PGGVKXYCZVKJOL-JOCHJYFZSA-N 1 2 396.874 4.394 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000180131376 822622142 /nfs/dbraw/zinc/62/21/42/822622142.db2.gz SCYLUMZTOYSIIK-GFCCVEGCSA-N 1 2 398.841 4.162 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccnc3ccccc23)CC1 ZINC000184376576 822624513 /nfs/dbraw/zinc/62/45/13/822624513.db2.gz CZJUTNDAEVOONM-DKRLNXSXSA-N 1 2 377.513 4.215 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2nc3ccccc3s2)CC1 ZINC000184382376 822625599 /nfs/dbraw/zinc/62/55/99/822625599.db2.gz LCEQHSKNOJZOQZ-LFAOLKIESA-N 1 2 383.542 4.276 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C2CC2)o1 ZINC000048043880 822626256 /nfs/dbraw/zinc/62/62/56/822626256.db2.gz XFKUDSHMHWUZGK-BEFAXECRSA-N 1 2 396.487 4.167 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C2CC2)o1 ZINC000048043880 822626259 /nfs/dbraw/zinc/62/62/59/822626259.db2.gz XFKUDSHMHWUZGK-BEFAXECRSA-N 1 2 396.487 4.167 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000184423804 822632618 /nfs/dbraw/zinc/63/26/18/822632618.db2.gz OORVHHFYNMTSLX-QAPCUYQASA-N 1 2 381.505 4.045 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nn1-c1cc(C)cc(C)c1 ZINC000180183045 822634079 /nfs/dbraw/zinc/63/40/79/822634079.db2.gz MBKJHURHVJOBGF-FXAWDEMLSA-N 1 2 392.507 4.109 20 0 GIADLO Cc1ccsc1C[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000048216930 822646175 /nfs/dbraw/zinc/64/61/75/822646175.db2.gz IACRSOPXGSXGBX-MRXNPFEDSA-N 1 2 383.473 4.052 20 0 GIADLO Cc1ccsc1C[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000048216930 822646176 /nfs/dbraw/zinc/64/61/76/822646176.db2.gz IACRSOPXGSXGBX-MRXNPFEDSA-N 1 2 383.473 4.052 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c(Br)c1 ZINC000048273676 822650940 /nfs/dbraw/zinc/65/09/40/822650940.db2.gz NVUDBZVMMHTESE-UHFFFAOYSA-N 1 2 376.298 4.002 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c(Br)c1 ZINC000048273676 822650941 /nfs/dbraw/zinc/65/09/41/822650941.db2.gz NVUDBZVMMHTESE-UHFFFAOYSA-N 1 2 376.298 4.002 20 0 GIADLO C[C@H](NC(=O)C[N@H+](Cc1cccnc1)C1CC1)c1ccc(Cl)cc1Cl ZINC000180275401 822652738 /nfs/dbraw/zinc/65/27/38/822652738.db2.gz WNPRYMHFEKTLMO-ZDUSSCGKSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@H](NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)c1ccc(Cl)cc1Cl ZINC000180275401 822652741 /nfs/dbraw/zinc/65/27/41/822652741.db2.gz WNPRYMHFEKTLMO-ZDUSSCGKSA-N 1 2 378.303 4.230 20 0 GIADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccco1 ZINC000184555129 822656549 /nfs/dbraw/zinc/65/65/49/822656549.db2.gz CWWLKUQOBKDTIQ-QMTHXVAHSA-N 1 2 390.789 4.256 20 0 GIADLO Cc1cc(C)c(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)c(C)[nH+]1 ZINC000455466769 822659984 /nfs/dbraw/zinc/65/99/84/822659984.db2.gz FVQWDVLRHIEJOB-UHFFFAOYSA-N 1 2 381.398 4.407 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)c(C)[nH+]1 ZINC000455487601 822664152 /nfs/dbraw/zinc/66/41/52/822664152.db2.gz SWEWCJWSZQHMOM-MRXNPFEDSA-N 1 2 388.462 4.196 20 0 GIADLO COc1ccc(CN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OC(F)F ZINC000455487644 822664467 /nfs/dbraw/zinc/66/44/67/822664467.db2.gz TWRWSAQPZDXKSQ-UHFFFAOYSA-N 1 2 379.407 4.281 20 0 GIADLO Cc1cc(C)c(NC(=O)NCc2cc(F)c(F)cc2Br)c(C)[nH+]1 ZINC000455493886 822665520 /nfs/dbraw/zinc/66/55/20/822665520.db2.gz DDXUKHIITOVJQM-UHFFFAOYSA-N 1 2 384.224 4.369 20 0 GIADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccco1 ZINC000184625431 822667525 /nfs/dbraw/zinc/66/75/25/822667525.db2.gz PNKHQHGKDUFDPJ-ZBFHGGJFSA-N 1 2 385.489 4.016 20 0 GIADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccco1 ZINC000184625442 822667579 /nfs/dbraw/zinc/66/75/79/822667579.db2.gz PNKHQHGKDUFDPJ-HOCLYGCPSA-N 1 2 385.489 4.016 20 0 GIADLO Cc1cc(C)c(NC(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)c(C)[nH+]1 ZINC000455528693 822670899 /nfs/dbraw/zinc/67/08/99/822670899.db2.gz RBUJDORGMUHJHZ-PBHICJAKSA-N 1 2 393.409 4.365 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)[nH+]1 ZINC000455535350 822671691 /nfs/dbraw/zinc/67/16/91/822671691.db2.gz VAGTYAXIOLKGTK-PKOBYXMFSA-N 1 2 390.890 4.366 20 0 GIADLO COc1ccc(CNC(=O)NCc2c[nH+]c(C)cc2C)cc1OC1CCCC1 ZINC000455534817 822671696 /nfs/dbraw/zinc/67/16/96/822671696.db2.gz AUYXGLXOSTYXIB-UHFFFAOYSA-N 1 2 383.492 4.028 20 0 GIADLO COc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C(F)(F)F)c1 ZINC000048550344 822671735 /nfs/dbraw/zinc/67/17/35/822671735.db2.gz LCAVKLVFXQZVOL-UHFFFAOYSA-N 1 2 394.397 4.031 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c[nH+]1 ZINC000455552766 822674129 /nfs/dbraw/zinc/67/41/29/822674129.db2.gz CATRETHNVQXRGH-UHFFFAOYSA-N 1 2 395.482 4.002 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c[nH+]1 ZINC000455558674 822674623 /nfs/dbraw/zinc/67/46/23/822674623.db2.gz MXGQGKYEXGKBBR-SFHVURJKSA-N 1 2 393.409 4.000 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2cccc(-c3csc(C)n3)c2)cs1 ZINC000184678700 822675091 /nfs/dbraw/zinc/67/50/91/822675091.db2.gz KIRSJHQHHKMQSD-GFCCVEGCSA-N 1 2 386.546 4.427 20 0 GIADLO CN1CCC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc21 ZINC000455564352 822675331 /nfs/dbraw/zinc/67/53/31/822675331.db2.gz XHECZFUIFXJZPX-NRFANRHFSA-N 1 2 395.551 4.056 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cs1 ZINC000184688494 822676790 /nfs/dbraw/zinc/67/67/90/822676790.db2.gz GESWQKUKCBTINK-NSHDSACASA-N 1 2 390.509 4.257 20 0 GIADLO CCCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000048661784 822677435 /nfs/dbraw/zinc/67/74/35/822677435.db2.gz RTVVJHXADJQPKB-QGZVFWFLSA-N 1 2 396.535 4.300 20 0 GIADLO COc1ccc(CN(CC2CCC2)C(=O)NCc2c[nH+]c(C)cc2C)c(OC)c1 ZINC000455582563 822678181 /nfs/dbraw/zinc/67/81/81/822678181.db2.gz ZHMJKECITVFCSI-UHFFFAOYSA-N 1 2 397.519 4.228 20 0 GIADLO CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1SCCCn1cc[nH+]c1 ZINC000180427089 822679637 /nfs/dbraw/zinc/67/96/37/822679637.db2.gz NHYBQAWGAKZLPG-UHFFFAOYSA-N 1 2 376.913 4.085 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000455589814 822679678 /nfs/dbraw/zinc/67/96/78/822679678.db2.gz MXAHMKSEDHWDGE-YQVWRLOYSA-N 1 2 386.927 4.299 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)N2CC[C@@H](C)Sc3ccccc32)cs1 ZINC000184722930 822682028 /nfs/dbraw/zinc/68/20/28/822682028.db2.gz MUNJTHHGBGJVMN-KGLIPLIRSA-N 1 2 375.563 4.274 20 0 GIADLO COc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cc2)c1 ZINC000180438683 822682111 /nfs/dbraw/zinc/68/21/11/822682111.db2.gz RXZHYWKRFCTEQM-GOSISDBHSA-N 1 2 392.459 4.381 20 0 GIADLO O=C(Nc1ccc(OCc2ccccc2F)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180451963 822684907 /nfs/dbraw/zinc/68/49/07/822684907.db2.gz VJVXOGAMJMVIHV-IBGZPJMESA-N 1 2 394.450 4.298 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cs1 ZINC000184747786 822685584 /nfs/dbraw/zinc/68/55/84/822685584.db2.gz MTCADJQPCXXXSM-AWEZNQCLSA-N 1 2 397.548 4.106 20 0 GIADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc(COC(C)(C)C)on3)CC2)cc1 ZINC000184761041 822687523 /nfs/dbraw/zinc/68/75/23/822687523.db2.gz LXHAHVYFDLUXBD-UHFFFAOYSA-N 1 2 399.535 4.071 20 0 GIADLO O=C(NCCc1ccc2ccccc2c1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048967212 822689962 /nfs/dbraw/zinc/68/99/62/822689962.db2.gz WIUFXTGMLKQLKD-UHFFFAOYSA-N 1 2 384.483 4.127 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccccc3CSC)CC2)c1 ZINC000184787267 822690936 /nfs/dbraw/zinc/69/09/36/822690936.db2.gz ZFUBSYOADWZKNS-KRWDZBQOSA-N 1 2 399.560 4.469 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2ccccc2SC(F)F)o1 ZINC000184787550 822690963 /nfs/dbraw/zinc/69/09/63/822690963.db2.gz VYBWNYJPSQUFGM-AWEZNQCLSA-N 1 2 384.448 4.073 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000184795286 822691966 /nfs/dbraw/zinc/69/19/66/822691966.db2.gz QPJRAJQWKWXKFX-IAQYHMDHSA-N 1 2 385.291 4.453 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180510363 822693977 /nfs/dbraw/zinc/69/39/77/822693977.db2.gz SQZNJZSVAWXIPZ-XZJROXQQSA-N 1 2 396.919 4.131 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180510363 822693979 /nfs/dbraw/zinc/69/39/79/822693979.db2.gz SQZNJZSVAWXIPZ-XZJROXQQSA-N 1 2 396.919 4.131 20 0 GIADLO O=C(CCc1ccc2[nH]ccc2c1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000180522545 822695899 /nfs/dbraw/zinc/69/58/99/822695899.db2.gz KATYEZXXXGSNQD-UHFFFAOYSA-N 1 2 376.504 4.192 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)CCCc3cccc(C(F)(F)F)c3)sc2C1 ZINC000184828546 822696511 /nfs/dbraw/zinc/69/65/11/822696511.db2.gz GIQLCTVNIZZCRE-UHFFFAOYSA-N 1 2 383.439 4.111 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)CCCc3cccc(C(F)(F)F)c3)sc2C1 ZINC000184828546 822696514 /nfs/dbraw/zinc/69/65/14/822696514.db2.gz GIQLCTVNIZZCRE-UHFFFAOYSA-N 1 2 383.439 4.111 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)o1 ZINC000184829344 822696525 /nfs/dbraw/zinc/69/65/25/822696525.db2.gz YBJXPLIABJKQOH-MPGHIAIKSA-N 1 2 384.476 4.131 20 0 GIADLO Oc1c(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)ccc2ccccc21 ZINC000184854731 822701078 /nfs/dbraw/zinc/70/10/78/822701078.db2.gz ZMNXMHFJANQGKV-UHFFFAOYSA-N 1 2 387.439 4.095 20 0 GIADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184855762 822701275 /nfs/dbraw/zinc/70/12/75/822701275.db2.gz QTZCDQVZFOSFOG-CVEARBPZSA-N 1 2 379.460 4.418 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ncc(-c2ccccc2)o1 ZINC000184855720 822701310 /nfs/dbraw/zinc/70/13/10/822701310.db2.gz ZQHRHKFSBYWWLB-CVEARBPZSA-N 1 2 381.451 4.351 20 0 GIADLO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184861339 822702152 /nfs/dbraw/zinc/70/21/52/822702152.db2.gz HHILEEVMPXLMSY-SFHVURJKSA-N 1 2 377.488 4.429 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2ccccc2Cc2ccccc2)o1 ZINC000184862030 822702336 /nfs/dbraw/zinc/70/23/36/822702336.db2.gz REOXSEWCOCUMTR-JOCHJYFZSA-N 1 2 392.499 4.349 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)NCc1ccccc1Cl ZINC000184869493 822704256 /nfs/dbraw/zinc/70/42/56/822704256.db2.gz JQPOOMTYPGPEQM-HUUCEWRRSA-N 1 2 383.879 4.351 20 0 GIADLO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)C2CC2)cc1 ZINC000184872432 822704729 /nfs/dbraw/zinc/70/47/29/822704729.db2.gz WKBUQUNYKVVCRY-SFHVURJKSA-N 1 2 389.499 4.492 20 0 GIADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184891845 822708394 /nfs/dbraw/zinc/70/83/94/822708394.db2.gz JJQBVGLJNQIJNW-MSOLQXFVSA-N 1 2 377.488 4.429 20 0 GIADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184891828 822708482 /nfs/dbraw/zinc/70/84/82/822708482.db2.gz JJQBVGLJNQIJNW-QZTJIDSGSA-N 1 2 377.488 4.429 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184896645 822709379 /nfs/dbraw/zinc/70/93/79/822709379.db2.gz LHOJDFRKQDFVKJ-HZPDHXFCSA-N 1 2 379.460 4.336 20 0 GIADLO Cc1c(Cl)cncc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000455717489 822712036 /nfs/dbraw/zinc/71/20/36/822712036.db2.gz QWRUPYBGBHESDY-MOPGFXCFSA-N 1 2 381.867 4.290 20 0 GIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2ccccc2OCCF)c(C)c1 ZINC000455726409 822714806 /nfs/dbraw/zinc/71/48/06/822714806.db2.gz UOWNJPBZXIJPSR-FQEVSTJZSA-N 1 2 396.466 4.411 20 0 GIADLO O=C(C[NH+](Cc1cccs1)Cc1cccs1)N[C@H]1CCOc2ccccc21 ZINC000050273265 822723272 /nfs/dbraw/zinc/72/32/72/822723272.db2.gz HVLLHCXHMDYPPJ-IBGZPJMESA-N 1 2 398.553 4.452 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000185002450 822723919 /nfs/dbraw/zinc/72/39/19/822723919.db2.gz PBSYZOMNRKCSHI-SECBINFHSA-N 1 2 377.819 4.413 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H](c1ccccc1)n1cccn1 ZINC000050316100 822725471 /nfs/dbraw/zinc/72/54/71/822725471.db2.gz HKSYSZRUPQHQCM-JOCHJYFZSA-N 1 2 397.482 4.311 20 0 GIADLO O=C(CCCOc1ccccc1Cl)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000050340323 822726678 /nfs/dbraw/zinc/72/66/78/822726678.db2.gz KWRVCRARXVIOOL-UHFFFAOYSA-N 1 2 399.878 4.413 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2ccccc2SCc2cscn2)c1C ZINC000050448493 822729666 /nfs/dbraw/zinc/72/96/66/822729666.db2.gz XZPKXYVVAPNVIJ-UHFFFAOYSA-N 1 2 399.541 4.386 20 0 GIADLO COc1nccc2cc(NC(=O)N3CCC(CCCn4cc[nH+]c4)CC3)ccc21 ZINC000455808452 822730177 /nfs/dbraw/zinc/73/01/77/822730177.db2.gz ANNNRYJTYFIZML-UHFFFAOYSA-N 1 2 393.491 4.164 20 0 GIADLO C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185063458 822731291 /nfs/dbraw/zinc/73/12/91/822731291.db2.gz JLHLZNGPUDWIAA-CQSZACIVSA-N 1 2 395.330 4.382 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)c1nccs1 ZINC000185062703 822731325 /nfs/dbraw/zinc/73/13/25/822731325.db2.gz SKEBHLFFYSVGKF-QFBILLFUSA-N 1 2 385.558 4.460 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)c1nccs1 ZINC000185078741 822734054 /nfs/dbraw/zinc/73/40/54/822734054.db2.gz XFFHCZGFOLLVFA-IEBWSBKVSA-N 1 2 375.513 4.371 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C)nc1C1CC1 ZINC000455846494 822736205 /nfs/dbraw/zinc/73/62/05/822736205.db2.gz NTYGNNIBEWSVCG-UHFFFAOYSA-N 1 2 378.520 4.041 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cc(F)cc4cccnc43)n2)c1 ZINC000185124725 822740124 /nfs/dbraw/zinc/74/01/24/822740124.db2.gz QEMWXQTXYRSHNU-CYBMUJFWSA-N 1 2 378.407 4.283 20 0 GIADLO Cc1c(-c2cc(C[NH2+][C@@H](c3ccccc3)c3cccc(F)c3)on2)cnn1C ZINC000185127793 822740535 /nfs/dbraw/zinc/74/05/35/822740535.db2.gz UMVXKKXVNCHQCQ-QFIPXVFZSA-N 1 2 376.435 4.402 20 0 GIADLO Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000051035618 822744599 /nfs/dbraw/zinc/74/45/99/822744599.db2.gz ZJIMSPMAJFLJQH-KRWDZBQOSA-N 1 2 397.906 4.019 20 0 GIADLO CCCCc1nc(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)cs1 ZINC000051097991 822746529 /nfs/dbraw/zinc/74/65/29/822746529.db2.gz OQBBVNIPMZAYDF-UHFFFAOYSA-N 1 2 377.579 4.250 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)NCc2ccccc2OC2CCCC2)c1C ZINC000051334351 822756489 /nfs/dbraw/zinc/75/64/89/822756489.db2.gz CCIFKHLMETUPPY-UHFFFAOYSA-N 1 2 383.492 4.028 20 0 GIADLO O=C(Nc1cc(Cl)cc(Br)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000455963827 822758120 /nfs/dbraw/zinc/75/81/20/822758120.db2.gz CAKFLDAOYMOTMT-UHFFFAOYSA-N 1 2 383.677 4.237 20 0 GIADLO O=C(Nc1cc(Cl)cc(Br)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000455963827 822758121 /nfs/dbraw/zinc/75/81/21/822758121.db2.gz CAKFLDAOYMOTMT-UHFFFAOYSA-N 1 2 383.677 4.237 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000455964549 822758268 /nfs/dbraw/zinc/75/82/68/822758268.db2.gz CZJRYFXVAWFAPS-IAQYHMDHSA-N 1 2 397.704 4.414 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000455964548 822758292 /nfs/dbraw/zinc/75/82/92/822758292.db2.gz CZJRYFXVAWFAPS-ABAIWWIYSA-N 1 2 397.704 4.414 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000455965798 822758459 /nfs/dbraw/zinc/75/84/59/822758459.db2.gz AMWWTVGZEVRIDO-VNQPRFMTSA-N 1 2 392.330 4.312 20 0 GIADLO Cc1cnc([C@H]([NH2+]CC(=O)Nc2nc(-c3cccs3)cs2)C2CC2)s1 ZINC000185311069 822763716 /nfs/dbraw/zinc/76/37/16/822763716.db2.gz QDKSEFWCWQWUPZ-OAHLLOKOSA-N 1 2 390.559 4.316 20 0 GIADLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000185314880 822764380 /nfs/dbraw/zinc/76/43/80/822764380.db2.gz CKTWTOIVIQCHDG-CQSZACIVSA-N 1 2 380.452 4.115 20 0 GIADLO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1nc2c(s1)CCC2 ZINC000051588788 822767556 /nfs/dbraw/zinc/76/75/56/822767556.db2.gz PZACCVSGNXKZLX-UHFFFAOYSA-N 1 2 398.557 4.060 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cccc(CC(F)(F)F)c1 ZINC000174313207 822769463 /nfs/dbraw/zinc/76/94/63/822769463.db2.gz MFKSBXBCSMDLQV-UHFFFAOYSA-N 1 2 388.393 4.358 20 0 GIADLO CCOc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)cc1OC ZINC000051679578 822773430 /nfs/dbraw/zinc/77/34/30/822773430.db2.gz LDNSZHPOTYLANT-ZDUSSCGKSA-N 1 2 396.940 4.118 20 0 GIADLO CCOc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)cc1OC ZINC000051679578 822773432 /nfs/dbraw/zinc/77/34/32/822773432.db2.gz LDNSZHPOTYLANT-ZDUSSCGKSA-N 1 2 396.940 4.118 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000185386156 822776355 /nfs/dbraw/zinc/77/63/55/822776355.db2.gz YRSOFCZYVICBCN-DAXOMENPSA-N 1 2 394.462 4.174 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1C ZINC000051755506 822777662 /nfs/dbraw/zinc/77/76/62/822777662.db2.gz OPVCIOQAQXHJGY-KRWDZBQOSA-N 1 2 396.516 4.363 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C(F)(F)F)C[C@H]3C)cn2c1 ZINC000456130494 822782144 /nfs/dbraw/zinc/78/21/44/822782144.db2.gz QDUCQYALRPXVMU-KGLIPLIRSA-N 1 2 385.455 4.065 20 0 GIADLO Cc1nnc(-c2cccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)c2)o1 ZINC000174405756 822785777 /nfs/dbraw/zinc/78/57/77/822785777.db2.gz KBBSITUOOZQDDZ-UHFFFAOYSA-N 1 2 379.807 4.136 20 0 GIADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(C)C(c2ccccc2)c2ccccc2)on1 ZINC000052008021 822786667 /nfs/dbraw/zinc/78/66/67/822786667.db2.gz HOIAQVBKHVIACS-OAQYLSRUSA-N 1 2 389.499 4.368 20 0 GIADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(C)C(c2ccccc2)c2ccccc2)on1 ZINC000052008021 822786670 /nfs/dbraw/zinc/78/66/70/822786670.db2.gz HOIAQVBKHVIACS-OAQYLSRUSA-N 1 2 389.499 4.368 20 0 GIADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185502748 822791472 /nfs/dbraw/zinc/79/14/72/822791472.db2.gz IXBXKQZVCQAYOG-CQSZACIVSA-N 1 2 393.314 4.304 20 0 GIADLO CC(C)Cn1ccnc1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000174455343 822792360 /nfs/dbraw/zinc/79/23/60/822792360.db2.gz QFCLLWIIYBOVME-UHFFFAOYSA-N 1 2 384.911 4.456 20 0 GIADLO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(Br)cc(F)c1O ZINC000185532442 822794154 /nfs/dbraw/zinc/79/41/54/822794154.db2.gz SOKCWQQRLSXKRY-PXAZEXFGSA-N 1 2 382.273 4.458 20 0 GIADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000185583478 822799199 /nfs/dbraw/zinc/79/91/99/822799199.db2.gz MCMXIKFRFIFXAC-CQSZACIVSA-N 1 2 397.441 4.146 20 0 GIADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000185583478 822799201 /nfs/dbraw/zinc/79/92/01/822799201.db2.gz MCMXIKFRFIFXAC-CQSZACIVSA-N 1 2 397.441 4.146 20 0 GIADLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2C(F)(F)F)n(C(C)(C)C)n1 ZINC000052508346 822802060 /nfs/dbraw/zinc/80/20/60/822802060.db2.gz ZFPOOTVCELUFOX-UHFFFAOYSA-N 1 2 382.430 4.036 20 0 GIADLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2C(F)(F)F)n(C(C)(C)C)n1 ZINC000052508346 822802063 /nfs/dbraw/zinc/80/20/63/822802063.db2.gz ZFPOOTVCELUFOX-UHFFFAOYSA-N 1 2 382.430 4.036 20 0 GIADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(F)ccc1Br ZINC000185634036 822804805 /nfs/dbraw/zinc/80/48/05/822804805.db2.gz OAFWSATZKCWTFT-UHFFFAOYSA-N 1 2 376.273 4.500 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000185635396 822804943 /nfs/dbraw/zinc/80/49/43/822804943.db2.gz LZXDEXNRFZQICN-SSDOTTSWSA-N 1 2 386.365 4.388 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000185648350 822806482 /nfs/dbraw/zinc/80/64/82/822806482.db2.gz KJRSEDZPVRXQRG-LBPRGKRZSA-N 1 2 377.414 4.165 20 0 GIADLO O=S(=O)(c1c(Cl)cccc1Cl)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000185678157 822809177 /nfs/dbraw/zinc/80/91/77/822809177.db2.gz PVCJXQSVIYEMDD-UHFFFAOYSA-N 1 2 385.194 4.146 20 0 GIADLO CSc1ccc(NC(=O)C[N@H+](C)Cc2cc(Br)cs2)cc1 ZINC000052847931 822812929 /nfs/dbraw/zinc/81/29/29/822812929.db2.gz IPXPFGZCFHNGPZ-UHFFFAOYSA-N 1 2 385.352 4.303 20 0 GIADLO CSc1ccc(NC(=O)C[N@@H+](C)Cc2cc(Br)cs2)cc1 ZINC000052847931 822812930 /nfs/dbraw/zinc/81/29/30/822812930.db2.gz IPXPFGZCFHNGPZ-UHFFFAOYSA-N 1 2 385.352 4.303 20 0 GIADLO CCc1cnc(C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)s1 ZINC000174626279 822814212 /nfs/dbraw/zinc/81/42/12/822814212.db2.gz NLQABEDRVJYFPX-UHFFFAOYSA-N 1 2 381.501 4.256 20 0 GIADLO CC(C)c1csc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)n1 ZINC000174640142 822816041 /nfs/dbraw/zinc/81/60/41/822816041.db2.gz MOSIREVROYSYKO-UHFFFAOYSA-N 1 2 387.553 4.123 20 0 GIADLO CCCOc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1OC ZINC000174655650 822818799 /nfs/dbraw/zinc/81/87/99/822818799.db2.gz UHFGLDYRTMZKIF-HNNXBMFYSA-N 1 2 397.475 4.393 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000174662961 822820340 /nfs/dbraw/zinc/82/03/40/822820340.db2.gz PPKVASYDGWNOAU-RDPSFJRHSA-N 1 2 387.483 4.195 20 0 GIADLO COc1cc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)ccc1OC(F)F ZINC000174666456 822820934 /nfs/dbraw/zinc/82/09/34/822820934.db2.gz REZZCBIESRBIPG-LLVKDONJSA-N 1 2 393.365 4.337 20 0 GIADLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000053111585 822822240 /nfs/dbraw/zinc/82/22/40/822822240.db2.gz OELPHFQPEFWZQT-UHFFFAOYSA-N 1 2 393.434 4.124 20 0 GIADLO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000053111585 822822242 /nfs/dbraw/zinc/82/22/42/822822242.db2.gz OELPHFQPEFWZQT-UHFFFAOYSA-N 1 2 393.434 4.124 20 0 GIADLO CN(C(=O)C[N@H+](C)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 ZINC000053114681 822822372 /nfs/dbraw/zinc/82/23/72/822822372.db2.gz WQWCUGUEDCUCCX-UHFFFAOYSA-N 1 2 393.434 4.410 20 0 GIADLO CN(C(=O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 ZINC000053114681 822822375 /nfs/dbraw/zinc/82/23/75/822822375.db2.gz WQWCUGUEDCUCCX-UHFFFAOYSA-N 1 2 393.434 4.410 20 0 GIADLO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC=C(COC)CC1 ZINC000185831189 822825322 /nfs/dbraw/zinc/82/53/22/822825322.db2.gz SMCWALRBNLWNTB-QFIPXVFZSA-N 1 2 380.488 4.044 20 0 GIADLO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC=C(COC)CC1 ZINC000185831189 822825326 /nfs/dbraw/zinc/82/53/26/822825326.db2.gz SMCWALRBNLWNTB-QFIPXVFZSA-N 1 2 380.488 4.044 20 0 GIADLO O=C(NCCn1cc[nH+]c1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000053266553 822828395 /nfs/dbraw/zinc/82/83/95/822828395.db2.gz KBUUWPBDABCOFV-UHFFFAOYSA-N 1 2 375.350 4.124 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@H]1c1ccc(F)cc1F ZINC000456833366 822836326 /nfs/dbraw/zinc/83/63/26/822836326.db2.gz KGEFJXWMBJIXRT-NRFANRHFSA-N 1 2 381.426 4.116 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1nc(C(F)(F)F)cs1 ZINC000185955312 822837029 /nfs/dbraw/zinc/83/70/29/822837029.db2.gz JCQLVVJRVKWHGK-UWVGGRQHSA-N 1 2 377.457 4.142 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000185956432 822837096 /nfs/dbraw/zinc/83/70/96/822837096.db2.gz YYLXPOYRLQDQJZ-GFCCVEGCSA-N 1 2 391.846 4.172 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000185960978 822837951 /nfs/dbraw/zinc/83/79/51/822837951.db2.gz ZWDLZBJMSCMUNZ-HNNXBMFYSA-N 1 2 397.466 4.394 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1ccc(C(C)=O)cc1)c1nc(C(F)(F)F)cs1 ZINC000185965538 822838705 /nfs/dbraw/zinc/83/87/05/822838705.db2.gz HVTMZSNFLDQPJX-ZDUSSCGKSA-N 1 2 385.411 4.044 20 0 GIADLO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3c[nH+]c(C)cc3C)c12 ZINC000456863138 822839048 /nfs/dbraw/zinc/83/90/48/822839048.db2.gz QOZHZWMKWOCKKZ-UHFFFAOYSA-N 1 2 391.519 4.314 20 0 GIADLO CCCc1ccccc1NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174820101 822841827 /nfs/dbraw/zinc/84/18/27/822841827.db2.gz LTMYCGOWICWFBA-UHFFFAOYSA-N 1 2 380.536 4.496 20 0 GIADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(COc2ccccc2F)on1 ZINC000186020604 822844312 /nfs/dbraw/zinc/84/43/12/822844312.db2.gz ZVEKEPYACHDUHA-UHFFFAOYSA-N 1 2 378.363 4.035 20 0 GIADLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc(C(F)(F)F)cs1 ZINC000174849511 822846133 /nfs/dbraw/zinc/84/61/33/822846133.db2.gz IYXBITLMXUKMAS-ZDUSSCGKSA-N 1 2 380.395 4.229 20 0 GIADLO Cc1ccc(C(C)(C)CN(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000174862740 822848221 /nfs/dbraw/zinc/84/82/21/822848221.db2.gz KHRSLEMTYSSWOL-UHFFFAOYSA-N 1 2 380.536 4.109 20 0 GIADLO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)c1 ZINC000186100996 822851705 /nfs/dbraw/zinc/85/17/05/822851705.db2.gz LVVUEASAUDNXHO-LBPRGKRZSA-N 1 2 387.281 4.099 20 0 GIADLO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000186100996 822851707 /nfs/dbraw/zinc/85/17/07/822851707.db2.gz LVVUEASAUDNXHO-LBPRGKRZSA-N 1 2 387.281 4.099 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc2ncsc2c1 ZINC000174893967 822851777 /nfs/dbraw/zinc/85/17/77/822851777.db2.gz INDPCGYFRMBOMY-UHFFFAOYSA-N 1 2 380.517 4.070 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000174898556 822852348 /nfs/dbraw/zinc/85/23/48/822852348.db2.gz LACYQCUWRZSERU-GOSISDBHSA-N 1 2 383.511 4.479 20 0 GIADLO CCCCOc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000186153885 822856406 /nfs/dbraw/zinc/85/64/06/822856406.db2.gz ASOXYGDERNXZDW-INIZCTEOSA-N 1 2 389.927 4.347 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N(Cc1ccco1)Cc1ccco1 ZINC000054022444 822859296 /nfs/dbraw/zinc/85/92/96/822859296.db2.gz XFKOFIXLZJAONE-UHFFFAOYSA-N 1 2 390.443 4.029 20 0 GIADLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](c2cccc(C)c2)c2ccccn2)cc1 ZINC000186201677 822860414 /nfs/dbraw/zinc/86/04/14/822860414.db2.gz ZAAQVQFQTOAMMC-AUSIDOKSSA-N 1 2 394.540 4.240 20 0 GIADLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)cc1 ZINC000186201641 822860494 /nfs/dbraw/zinc/86/04/94/822860494.db2.gz ZAAQVQFQTOAMMC-XXBNENTESA-N 1 2 394.540 4.240 20 0 GIADLO O=C(Nc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1)C1CC1 ZINC000174958865 822861279 /nfs/dbraw/zinc/86/12/79/822861279.db2.gz SQLPRLYEFJDMJR-OAQYLSRUSA-N 1 2 395.478 4.167 20 0 GIADLO O=C(Nc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1)C1CC1 ZINC000174958865 822861283 /nfs/dbraw/zinc/86/12/83/822861283.db2.gz SQLPRLYEFJDMJR-OAQYLSRUSA-N 1 2 395.478 4.167 20 0 GIADLO CSc1ccccc1NC(=O)CC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000174958926 822861329 /nfs/dbraw/zinc/86/13/29/822861329.db2.gz YCSSJCAWNQWPJT-UHFFFAOYSA-N 1 2 389.468 4.344 20 0 GIADLO CSc1ccccc1NC(=O)CC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000174958926 822861331 /nfs/dbraw/zinc/86/13/31/822861331.db2.gz YCSSJCAWNQWPJT-UHFFFAOYSA-N 1 2 389.468 4.344 20 0 GIADLO CC(C)CCOc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000174981752 822864070 /nfs/dbraw/zinc/86/40/70/822864070.db2.gz HRNGOXIQJDFNSU-LJQANCHMSA-N 1 2 396.535 4.417 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000054175453 822865980 /nfs/dbraw/zinc/86/59/80/822865980.db2.gz XHSKEJQPEDCFEC-UHFFFAOYSA-N 1 2 387.293 4.077 20 0 GIADLO COc1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1OC(C)C ZINC000186276383 822868908 /nfs/dbraw/zinc/86/89/08/822868908.db2.gz KEJOELCJGUCPEJ-UHFFFAOYSA-N 1 2 398.438 4.129 20 0 GIADLO COc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)c(OC2CCCC2)c1 ZINC000175028220 822870649 /nfs/dbraw/zinc/87/06/49/822870649.db2.gz BUBBPPPXVJMEGQ-QHCPKHFHSA-N 1 2 394.515 4.126 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCCCc1ccc(Cl)s1)C2 ZINC000569030718 822871188 /nfs/dbraw/zinc/87/11/88/822871188.db2.gz SVYDPAUKLZXRIH-ZDUSSCGKSA-N 1 2 379.957 4.492 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCCCc1ccc(Cl)s1)CC2 ZINC000569030718 822871189 /nfs/dbraw/zinc/87/11/89/822871189.db2.gz SVYDPAUKLZXRIH-ZDUSSCGKSA-N 1 2 379.957 4.492 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(-c4ccccc4)on3)n2)C1 ZINC000054277532 822872689 /nfs/dbraw/zinc/87/26/89/822872689.db2.gz RRFGZDBFUFHGRP-AWEZNQCLSA-N 1 2 382.489 4.282 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(-c4ccccc4)on3)n2)C1 ZINC000054277532 822872691 /nfs/dbraw/zinc/87/26/91/822872691.db2.gz RRFGZDBFUFHGRP-AWEZNQCLSA-N 1 2 382.489 4.282 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000054296044 822873641 /nfs/dbraw/zinc/87/36/41/822873641.db2.gz KOQOGMZRIUHIOR-UHFFFAOYSA-N 1 2 375.472 4.448 20 0 GIADLO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054390023 822880828 /nfs/dbraw/zinc/88/08/28/822880828.db2.gz VYXQTWFPSGYYFV-UHFFFAOYSA-N 1 2 392.455 4.126 20 0 GIADLO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054390023 822880833 /nfs/dbraw/zinc/88/08/33/822880833.db2.gz VYXQTWFPSGYYFV-UHFFFAOYSA-N 1 2 392.455 4.126 20 0 GIADLO Cc1cc(C)c(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)c(C)[nH+]1 ZINC000175102002 822882725 /nfs/dbraw/zinc/88/27/25/822882725.db2.gz LQTRBZZTRANIGB-UHFFFAOYSA-N 1 2 381.354 4.370 20 0 GIADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000569140014 822883255 /nfs/dbraw/zinc/88/32/55/822883255.db2.gz ZZACAGJBXZFJOP-WMZOPIPTSA-N 1 2 379.426 4.214 20 0 GIADLO CC(C)Oc1ccc([C@@H](C)NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000569158492 822885890 /nfs/dbraw/zinc/88/58/90/822885890.db2.gz VQCDRQXHHBQHBA-GOSISDBHSA-N 1 2 377.488 4.139 20 0 GIADLO Cn1c(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000186394155 822887340 /nfs/dbraw/zinc/88/73/40/822887340.db2.gz RXULRCTXALNPLY-UHFFFAOYSA-N 1 2 399.901 4.351 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000457551502 822889795 /nfs/dbraw/zinc/88/97/95/822889795.db2.gz FNSSIHVMLCUYTP-DNVFCKCGSA-N 1 2 388.515 4.408 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000569195216 822891399 /nfs/dbraw/zinc/89/13/99/822891399.db2.gz AVLZFOCPPRLMSX-UHFFFAOYSA-N 1 2 396.878 4.332 20 0 GIADLO CCC[N@H+](Cc1csc([C@H](C)OC)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000175182289 822899256 /nfs/dbraw/zinc/89/92/56/822899256.db2.gz BERYGRPDTZJRSD-GOEBONIOSA-N 1 2 383.558 4.072 20 0 GIADLO CCC[N@@H+](Cc1csc([C@H](C)OC)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000175182289 822899261 /nfs/dbraw/zinc/89/92/61/822899261.db2.gz BERYGRPDTZJRSD-GOEBONIOSA-N 1 2 383.558 4.072 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457697604 822908061 /nfs/dbraw/zinc/90/80/61/822908061.db2.gz FRYZRPWQFTYLQA-JGFGOQIWSA-N 1 2 376.850 4.412 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457697604 822908062 /nfs/dbraw/zinc/90/80/62/822908062.db2.gz FRYZRPWQFTYLQA-JGFGOQIWSA-N 1 2 376.850 4.412 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457698378 822908318 /nfs/dbraw/zinc/90/83/18/822908318.db2.gz FRYZRPWQFTYLQA-PJQXDXOGSA-N 1 2 376.850 4.412 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457698378 822908321 /nfs/dbraw/zinc/90/83/21/822908321.db2.gz FRYZRPWQFTYLQA-PJQXDXOGSA-N 1 2 376.850 4.412 20 0 GIADLO CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H](C)Cc1ccsc1 ZINC000186528762 822909189 /nfs/dbraw/zinc/90/91/89/822909189.db2.gz PHQXSVLWAGPZBI-OAHLLOKOSA-N 1 2 386.496 4.236 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457709679 822909652 /nfs/dbraw/zinc/90/96/52/822909652.db2.gz OAAVDRIYANEFLU-NZVBXONLSA-N 1 2 380.813 4.319 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)CC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457709679 822909654 /nfs/dbraw/zinc/90/96/54/822909654.db2.gz OAAVDRIYANEFLU-NZVBXONLSA-N 1 2 380.813 4.319 20 0 GIADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Br)s1 ZINC000175247496 822913489 /nfs/dbraw/zinc/91/34/89/822913489.db2.gz PIQGBVUZDHAXEQ-RYUDHWBXSA-N 1 2 382.327 4.200 20 0 GIADLO S=c1oc2ccc(Cl)cc2n1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175252546 822915123 /nfs/dbraw/zinc/91/51/23/822915123.db2.gz QTXWKLAKSFNCPH-HNNXBMFYSA-N 1 2 382.913 4.235 20 0 GIADLO CN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000457761552 822915891 /nfs/dbraw/zinc/91/58/91/822915891.db2.gz AYXHAZSGXWUFDW-GOTSBHOMSA-N 1 2 388.515 4.409 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Oc2ccccc2C)cn1 ZINC000457761731 822915946 /nfs/dbraw/zinc/91/59/46/822915946.db2.gz OYEAGKUJSXEHNT-UHFFFAOYSA-N 1 2 392.503 4.494 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](C)Cn2cc(-c3ccc(F)cc3)oc2=S)cc1 ZINC000054844768 822917725 /nfs/dbraw/zinc/91/77/25/822917725.db2.gz WMAYHKCJOCMJBH-UHFFFAOYSA-N 1 2 385.464 4.066 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](C)Cn2cc(-c3ccc(F)cc3)oc2=S)cc1 ZINC000054844768 822917732 /nfs/dbraw/zinc/91/77/32/822917732.db2.gz WMAYHKCJOCMJBH-UHFFFAOYSA-N 1 2 385.464 4.066 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000457802508 822920590 /nfs/dbraw/zinc/92/05/90/822920590.db2.gz YUDPDTSGABZLNC-OPYAIIAOSA-N 1 2 378.520 4.027 20 0 GIADLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1cccc(Cl)c1F ZINC000186597197 822920921 /nfs/dbraw/zinc/92/09/21/822920921.db2.gz OKGXZKFNGGXZHJ-ZDUSSCGKSA-N 1 2 391.874 4.459 20 0 GIADLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1cccc(Cl)c1F ZINC000186597197 822920926 /nfs/dbraw/zinc/92/09/26/822920926.db2.gz OKGXZKFNGGXZHJ-ZDUSSCGKSA-N 1 2 391.874 4.459 20 0 GIADLO C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c2ccccc2S1 ZINC000186598739 822921122 /nfs/dbraw/zinc/92/11/22/822921122.db2.gz KPHKUAFKHOCKOS-GAJHUEQPSA-N 1 2 394.540 4.035 20 0 GIADLO C[C@H]1CCN(C(=O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c2ccccc2S1 ZINC000186598739 822921126 /nfs/dbraw/zinc/92/11/26/822921126.db2.gz KPHKUAFKHOCKOS-GAJHUEQPSA-N 1 2 394.540 4.035 20 0 GIADLO Cc1cccc(COc2ccc([C@H](C)NC(=O)[C@H]3CCc4c[nH+]cn4C3)cc2)c1 ZINC000569461393 822925780 /nfs/dbraw/zinc/92/57/80/822925780.db2.gz ZKKKTIGVEXSIES-RXVVDRJESA-N 1 2 389.499 4.210 20 0 GIADLO C[C@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1cccc(F)c1 ZINC000175299685 822928680 /nfs/dbraw/zinc/92/86/80/822928680.db2.gz XQXWHOQOMDEUHI-HTAPYJJXSA-N 1 2 392.478 4.363 20 0 GIADLO CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000055018912 822932096 /nfs/dbraw/zinc/93/20/96/822932096.db2.gz APMDDYJWSHRFQM-LJQANCHMSA-N 1 2 397.523 4.300 20 0 GIADLO CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1=S ZINC000055018912 822932098 /nfs/dbraw/zinc/93/20/98/822932098.db2.gz APMDDYJWSHRFQM-LJQANCHMSA-N 1 2 397.523 4.300 20 0 GIADLO Cn1c(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)nc2cc(Cl)ccc21 ZINC000055032704 822932777 /nfs/dbraw/zinc/93/27/77/822932777.db2.gz MUGUNSBRFJHARE-UHFFFAOYSA-N 1 2 397.910 4.013 20 0 GIADLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000055032590 822932853 /nfs/dbraw/zinc/93/28/53/822932853.db2.gz NZUJPHXCWFKWLL-UHFFFAOYSA-N 1 2 394.338 4.297 20 0 GIADLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1nnc(-c3ccc(Br)o3)o1)CC2 ZINC000186706429 822941310 /nfs/dbraw/zinc/94/13/10/822941310.db2.gz SYMGRKSREQRELU-UHFFFAOYSA-N 1 2 388.265 4.267 20 0 GIADLO Cc1cc(C)c2c(c1)C[N@H+](Cc1nnc(-c3ccc(Br)o3)o1)CC2 ZINC000186706429 822941313 /nfs/dbraw/zinc/94/13/13/822941313.db2.gz SYMGRKSREQRELU-UHFFFAOYSA-N 1 2 388.265 4.267 20 0 GIADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000457979278 822946997 /nfs/dbraw/zinc/94/69/97/822946997.db2.gz SIEIIARUFQPIGM-GUTXKFCHSA-N 1 2 398.404 4.272 20 0 GIADLO O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000569629419 822947266 /nfs/dbraw/zinc/94/72/66/822947266.db2.gz KSEDVVDIGCJEAC-UHFFFAOYSA-N 1 2 395.369 4.171 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC(c2ccsc2)CC1 ZINC000186743739 822948858 /nfs/dbraw/zinc/94/88/58/822948858.db2.gz HGIHXRXKGPMCEC-UHFFFAOYSA-N 1 2 384.480 4.162 20 0 GIADLO NC(=O)c1ccccc1Oc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000175372839 822950172 /nfs/dbraw/zinc/95/01/72/822950172.db2.gz JELDEMOJJZQAIF-UHFFFAOYSA-N 1 2 398.422 4.016 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1Cl ZINC000175382013 822952981 /nfs/dbraw/zinc/95/29/81/822952981.db2.gz XYLCQMNDXAGBDS-PWECECGKSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1Cl ZINC000175382013 822952984 /nfs/dbraw/zinc/95/29/84/822952984.db2.gz XYLCQMNDXAGBDS-PWECECGKSA-N 1 2 378.925 4.017 20 0 GIADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1COCc2ccccc21 ZINC000569676293 822954162 /nfs/dbraw/zinc/95/41/62/822954162.db2.gz CILLKVBZDCGYMZ-OAQYLSRUSA-N 1 2 388.471 4.279 20 0 GIADLO C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175389475 822956113 /nfs/dbraw/zinc/95/61/13/822956113.db2.gz GSPBJWAXZHQVCW-KSFYIVLOSA-N 1 2 392.478 4.193 20 0 GIADLO O=C(CCCCCc1ccc(F)cc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000186796418 822956919 /nfs/dbraw/zinc/95/69/19/822956919.db2.gz ZYLGAKANQZXZBA-UHFFFAOYSA-N 1 2 379.479 4.490 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175409485 822961876 /nfs/dbraw/zinc/96/18/76/822961876.db2.gz BRJAWJSUSRPJPE-CRYYWNKWSA-N 1 2 386.561 4.487 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175409485 822961880 /nfs/dbraw/zinc/96/18/80/822961880.db2.gz BRJAWJSUSRPJPE-CRYYWNKWSA-N 1 2 386.561 4.487 20 0 GIADLO Cc1ccc(C(=O)CCCCC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000569752686 822963576 /nfs/dbraw/zinc/96/35/76/822963576.db2.gz CBCLEGLZVASROA-QHCPKHFHSA-N 1 2 392.543 4.123 20 0 GIADLO Cc1ccc(C(=O)CCCCC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000569752686 822963579 /nfs/dbraw/zinc/96/35/79/822963579.db2.gz CBCLEGLZVASROA-QHCPKHFHSA-N 1 2 392.543 4.123 20 0 GIADLO CC(C)(NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)c(F)c1 ZINC000175449359 822971559 /nfs/dbraw/zinc/97/15/59/822971559.db2.gz XSLTUATZTRCPDY-UHFFFAOYSA-N 1 2 388.393 4.024 20 0 GIADLO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000569870269 822978502 /nfs/dbraw/zinc/97/85/02/822978502.db2.gz YIOOGHVUGQHURH-KRWDZBQOSA-N 1 2 394.441 4.085 20 0 GIADLO OC1(Cc2cccc(F)c2)CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000186946775 822984837 /nfs/dbraw/zinc/98/48/37/822984837.db2.gz CQQQHNKFJXMZMZ-UHFFFAOYSA-N 1 2 389.421 4.140 20 0 GIADLO Cc1ccccc1Oc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)nc1 ZINC000569913292 822985124 /nfs/dbraw/zinc/98/51/24/822985124.db2.gz BKQUYYNPCXMAHF-OXQOHEQNSA-N 1 2 392.459 4.158 20 0 GIADLO Cc1ccccc1Oc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)nc1 ZINC000569913292 822985128 /nfs/dbraw/zinc/98/51/28/822985128.db2.gz BKQUYYNPCXMAHF-OXQOHEQNSA-N 1 2 392.459 4.158 20 0 GIADLO O=C(C[NH+]1CCC(c2ccsc2)CC1)N(Cc1ccco1)CC(F)(F)F ZINC000186948840 822985096 /nfs/dbraw/zinc/98/50/96/822985096.db2.gz YNRWNRDWTSBORH-UHFFFAOYSA-N 1 2 386.439 4.112 20 0 GIADLO Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000186952491 822985984 /nfs/dbraw/zinc/98/59/84/822985984.db2.gz QKVYBTWNZKXGGY-LIRRHRJNSA-N 1 2 381.505 4.245 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000175510239 822987046 /nfs/dbraw/zinc/98/70/46/822987046.db2.gz ZATJKYHLIPLMGB-PXNSSMCTSA-N 1 2 394.544 4.118 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000175510239 822987050 /nfs/dbraw/zinc/98/70/50/822987050.db2.gz ZATJKYHLIPLMGB-PXNSSMCTSA-N 1 2 394.544 4.118 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc3c(c2)C(C)(C)CO3)C[C@H](C)O1 ZINC000570017995 822997445 /nfs/dbraw/zinc/99/74/45/822997445.db2.gz AJFSAXKLOOFOEV-CALCHBBNSA-N 1 2 394.515 4.218 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc3c(c2)C(C)(C)CO3)C[C@H](C)O1 ZINC000570017995 822997447 /nfs/dbraw/zinc/99/74/47/822997447.db2.gz AJFSAXKLOOFOEV-CALCHBBNSA-N 1 2 394.515 4.218 20 0 GIADLO COc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1OC1CCCC1 ZINC000055696863 823000326 /nfs/dbraw/zinc/00/03/26/823000326.db2.gz RWABWVVSQIJSSP-UHFFFAOYSA-N 1 2 391.471 4.132 20 0 GIADLO Cc1cccc([C@@H]2CCCN2C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000175582542 823001891 /nfs/dbraw/zinc/00/18/91/823001891.db2.gz BCGCAENLEMCCJE-NRFANRHFSA-N 1 2 378.520 4.214 20 0 GIADLO Cc1cc(CNC(=O)NCc2cccc(COCc3ccco3)c2)cc(C)[nH+]1 ZINC000570074432 823003607 /nfs/dbraw/zinc/00/36/07/823003607.db2.gz YADIGABUIVXPLX-UHFFFAOYSA-N 1 2 379.460 4.008 20 0 GIADLO CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000570183004 823013058 /nfs/dbraw/zinc/01/30/58/823013058.db2.gz SEODBVHZTOPANE-OAQYLSRUSA-N 1 2 392.421 4.263 20 0 GIADLO CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000570183004 823013060 /nfs/dbraw/zinc/01/30/60/823013060.db2.gz SEODBVHZTOPANE-OAQYLSRUSA-N 1 2 392.421 4.263 20 0 GIADLO O=C(c1nc2ccccc2cc1Cl)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000570209370 823015443 /nfs/dbraw/zinc/01/54/43/823015443.db2.gz MJRBMTFGXHSFLD-MRXNPFEDSA-N 1 2 394.906 4.441 20 0 GIADLO Cc1ccc(C[S@@](=O)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c(C)[nH+]1 ZINC000187142056 823016847 /nfs/dbraw/zinc/01/68/47/823016847.db2.gz FDROZACOZSJPPM-HHHXNRCGSA-N 1 2 395.406 4.216 20 0 GIADLO CCOc1ccc(NC(=O)COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000570298879 823023493 /nfs/dbraw/zinc/02/34/93/823023493.db2.gz AUTQIHATEKVYJA-UHFFFAOYSA-N 1 2 391.471 4.303 20 0 GIADLO Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c(C)n1 ZINC000187200178 823024144 /nfs/dbraw/zinc/02/41/44/823024144.db2.gz NZOAOWYPGGJEPE-UHFFFAOYSA-N 1 2 389.499 4.386 20 0 GIADLO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c(C)n1 ZINC000187200178 823024145 /nfs/dbraw/zinc/02/41/45/823024145.db2.gz NZOAOWYPGGJEPE-UHFFFAOYSA-N 1 2 389.499 4.386 20 0 GIADLO Cc1ccc(C[S@@](=O)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(C)[nH+]1 ZINC000187234385 823028692 /nfs/dbraw/zinc/02/86/92/823028692.db2.gz NPELKSXULBJSHM-YMXBGEKHSA-N 1 2 399.343 4.131 20 0 GIADLO COc1ccc(C(C)(C)c2noc([C@@H](c3ccccc3)[NH+](C)C)n2)cc1OC ZINC000570364517 823029306 /nfs/dbraw/zinc/02/93/06/823029306.db2.gz NGYGHPIDXFUVGR-LJQANCHMSA-N 1 2 381.476 4.064 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCCn2nc(C(C)C)nc21 ZINC000187291161 823037800 /nfs/dbraw/zinc/03/78/00/823037800.db2.gz YMBCPYSHTGPNSN-LJQANCHMSA-N 1 2 377.492 4.097 20 0 GIADLO CCOc1cc(C)ccc1C[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000187293330 823038182 /nfs/dbraw/zinc/03/81/82/823038182.db2.gz QJOIRYGEKSHZJK-UHFFFAOYSA-N 1 2 381.925 4.131 20 0 GIADLO COc1ccccc1[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccco1 ZINC000187308553 823040793 /nfs/dbraw/zinc/04/07/93/823040793.db2.gz NADZJEPSTSXADB-HSZRJFAPSA-N 1 2 376.456 4.076 20 0 GIADLO O=C(NC1CCC(F)(F)CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000570463609 823041054 /nfs/dbraw/zinc/04/10/54/823041054.db2.gz ZMARGAONWAOVPK-UHFFFAOYSA-N 1 2 396.869 4.326 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1CNc1ccc2c(c1)CCC[N@H+]2C ZINC000187319494 823042832 /nfs/dbraw/zinc/04/28/32/823042832.db2.gz ISKMWYDQAJWWPU-UHFFFAOYSA-N 1 2 378.925 4.128 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1CNc1ccc2c(c1)CCC[N@@H+]2C ZINC000187319494 823042837 /nfs/dbraw/zinc/04/28/37/823042837.db2.gz ISKMWYDQAJWWPU-UHFFFAOYSA-N 1 2 378.925 4.128 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000187318156 823042876 /nfs/dbraw/zinc/04/28/76/823042876.db2.gz FYRAZWJIFVMPPR-UHFFFAOYSA-N 1 2 393.871 4.071 20 0 GIADLO C[C@H]1CCN(C(=O)c2occc2CSc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000123832201 823543970 /nfs/dbraw/zinc/54/39/70/823543970.db2.gz VESPSZBWBLAIIX-LPHOPBHVSA-N 1 2 381.501 4.492 20 0 GIADLO CCCCOc1ccc([C@@H](C)NC(=O)NCc2ccn3cc[nH+]c3c2)cc1OC ZINC000177925259 823546980 /nfs/dbraw/zinc/54/69/80/823546980.db2.gz QKDLCXZRPOJYQC-MRXNPFEDSA-N 1 2 396.491 4.082 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)c(C)[nH+]1 ZINC000411199904 823556727 /nfs/dbraw/zinc/55/67/27/823556727.db2.gz HKMBYVOIXVTABT-LLVKDONJSA-N 1 2 380.275 4.130 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)c(C)[nH+]1 ZINC000411204542 823557190 /nfs/dbraw/zinc/55/71/90/823557190.db2.gz AXKJBFMPOMRRLJ-UHFFFAOYSA-N 1 2 392.286 4.058 20 0 GIADLO Cc1cscc1NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000124009814 823559627 /nfs/dbraw/zinc/55/96/27/823559627.db2.gz UOJIOMCPUVIGOQ-UHFFFAOYSA-N 1 2 399.438 4.305 20 0 GIADLO CCCn1c2ccccc2nc1C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000124033252 823561581 /nfs/dbraw/zinc/56/15/81/823561581.db2.gz HDURARUBLCSNRV-UHFFFAOYSA-N 1 2 377.488 4.247 20 0 GIADLO CCO[C@H](C)c1nc(CN2CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)cs1 ZINC000411302688 823563525 /nfs/dbraw/zinc/56/35/25/823563525.db2.gz ZGNUWMZVTYOCRA-UIAACRFSSA-N 1 2 389.540 4.053 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)c(OC)c1 ZINC000124055621 823563712 /nfs/dbraw/zinc/56/37/12/823563712.db2.gz YUHKHSCYQKQRQY-ZDUSSCGKSA-N 1 2 385.489 4.082 20 0 GIADLO C[C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000124056445 823563955 /nfs/dbraw/zinc/56/39/55/823563955.db2.gz OMORTDYKVOSHPM-WMLDXEAASA-N 1 2 396.318 4.459 20 0 GIADLO C[C@H](CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000124123530 823569633 /nfs/dbraw/zinc/56/96/33/823569633.db2.gz JKGFYDWKZHPHPL-HDMKZQKVSA-N 1 2 390.325 4.249 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411416444 823571668 /nfs/dbraw/zinc/57/16/68/823571668.db2.gz OMZMBIIOAFLLEH-OAHLLOKOSA-N 1 2 388.537 4.053 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)c(C)[nH+]1 ZINC000411430746 823573383 /nfs/dbraw/zinc/57/33/83/823573383.db2.gz WPSXTLARAPJZRP-QGZVFWFLSA-N 1 2 394.519 4.271 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCSc4ccccc43)CC2)s1 ZINC000461096924 823576234 /nfs/dbraw/zinc/57/62/34/823576234.db2.gz ZOKLGPQJXNMQKT-LJQANCHMSA-N 1 2 386.586 4.234 20 0 GIADLO COc1cccc(-c2nc(C[NH+]3CCC(Oc4ccc(F)nc4)CC3)cs2)c1 ZINC000190513564 823582657 /nfs/dbraw/zinc/58/26/57/823582657.db2.gz WDBRJZXNDZLIIF-UHFFFAOYSA-N 1 2 399.491 4.396 20 0 GIADLO COc1ccccc1-c1nc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cs1 ZINC000190541836 823584675 /nfs/dbraw/zinc/58/46/75/823584675.db2.gz NXUDATSVQKEBAY-UHFFFAOYSA-N 1 2 399.491 4.396 20 0 GIADLO C[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1nc(C(C)(C)C)no1 ZINC000411534994 823585732 /nfs/dbraw/zinc/58/57/32/823585732.db2.gz PJNSKCJRQFZKMN-SNVBAGLBSA-N 1 2 385.295 4.353 20 0 GIADLO O=C(Nc1cccc(-c2cccs2)c1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000124316147 823586596 /nfs/dbraw/zinc/58/65/96/823586596.db2.gz PTSWWZKRYJBVOQ-UHFFFAOYSA-N 1 2 388.452 4.178 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190562879 823586808 /nfs/dbraw/zinc/58/68/08/823586808.db2.gz SJYRAPQWQALMHG-CQSZACIVSA-N 1 2 391.874 4.053 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cnc(Cc2ccccc2)s1 ZINC000124362707 823590284 /nfs/dbraw/zinc/59/02/84/823590284.db2.gz FHJLXMZHPMQFTI-UHFFFAOYSA-N 1 2 378.432 4.311 20 0 GIADLO Cc1ccc([C@H]([NH2+]CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c2ccccn2)cc1 ZINC000411657372 823595072 /nfs/dbraw/zinc/59/50/72/823595072.db2.gz GSUVCAYEUQASFO-APTRMMRNSA-N 1 2 377.532 4.250 20 0 GIADLO COc1ccc(CCCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000061427568 823596626 /nfs/dbraw/zinc/59/66/26/823596626.db2.gz VLEZPSHJUHLYIL-UHFFFAOYSA-N 1 2 387.549 4.345 20 0 GIADLO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)Nc3c(C)cccc3C(C)C)CC2)[nH]1 ZINC000190672001 823597120 /nfs/dbraw/zinc/59/71/20/823597120.db2.gz LCFLJWYYCOIQPE-MRXNPFEDSA-N 1 2 383.540 4.006 20 0 GIADLO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3c(C)cccc3C(C)C)CC2)n1 ZINC000190672001 823597125 /nfs/dbraw/zinc/59/71/25/823597125.db2.gz LCFLJWYYCOIQPE-MRXNPFEDSA-N 1 2 383.540 4.006 20 0 GIADLO CCc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3c(C)cccc3C(C)C)CC2)n[nH]1 ZINC000190672001 823597129 /nfs/dbraw/zinc/59/71/29/823597129.db2.gz LCFLJWYYCOIQPE-MRXNPFEDSA-N 1 2 383.540 4.006 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)o2)cc1 ZINC000190732246 823603040 /nfs/dbraw/zinc/60/30/40/823603040.db2.gz QTSVXUDBVZOPPE-DOTOQJQBSA-N 1 2 386.496 4.095 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)o2)cc1 ZINC000190732246 823603042 /nfs/dbraw/zinc/60/30/42/823603042.db2.gz QTSVXUDBVZOPPE-DOTOQJQBSA-N 1 2 386.496 4.095 20 0 GIADLO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000461265863 823608853 /nfs/dbraw/zinc/60/88/53/823608853.db2.gz PBYKCPXTVLOLKV-NVXWUHKLSA-N 1 2 393.453 4.238 20 0 GIADLO CCCCOc1cc(OCCC)ccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000190793208 823609638 /nfs/dbraw/zinc/60/96/38/823609638.db2.gz RANJXMITUICFMG-UHFFFAOYSA-N 1 2 385.508 4.328 20 0 GIADLO CC[N@H+](CC(=O)N(Cc1ccc(OC)cc1)C1CC1)Cc1ccc(Cl)s1 ZINC000061783156 823613949 /nfs/dbraw/zinc/61/39/49/823613949.db2.gz MKDPQLILXAXDPB-UHFFFAOYSA-N 1 2 392.952 4.423 20 0 GIADLO CC[N@@H+](CC(=O)N(Cc1ccc(OC)cc1)C1CC1)Cc1ccc(Cl)s1 ZINC000061783156 823613951 /nfs/dbraw/zinc/61/39/51/823613951.db2.gz MKDPQLILXAXDPB-UHFFFAOYSA-N 1 2 392.952 4.423 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnnn1C1CC1 ZINC000190845200 823615769 /nfs/dbraw/zinc/61/57/69/823615769.db2.gz GHSOVXXUUYTOCI-DTWKUNHWSA-N 1 2 393.335 4.457 20 0 GIADLO O=C1C[C@]2(CC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)Oc2ccccc21 ZINC000411992147 823618894 /nfs/dbraw/zinc/61/88/94/823618894.db2.gz UZLJBVVCPVKLJC-QFIPXVFZSA-N 1 2 376.481 4.420 20 0 GIADLO O=C1C[C@]2(CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)Oc2ccccc21 ZINC000411992147 823618896 /nfs/dbraw/zinc/61/88/96/823618896.db2.gz UZLJBVVCPVKLJC-QFIPXVFZSA-N 1 2 376.481 4.420 20 0 GIADLO O=C1C[C@@]2(CC[N@@H+](Cc3sccc3Br)C2)Oc2ccccc21 ZINC000411993342 823618927 /nfs/dbraw/zinc/61/89/27/823618927.db2.gz WUGGXJMUOLOBQP-QGZVFWFLSA-N 1 2 378.291 4.121 20 0 GIADLO O=C1C[C@@]2(CC[N@H+](Cc3sccc3Br)C2)Oc2ccccc21 ZINC000411993342 823618928 /nfs/dbraw/zinc/61/89/28/823618928.db2.gz WUGGXJMUOLOBQP-QGZVFWFLSA-N 1 2 378.291 4.121 20 0 GIADLO Clc1ccc(-n2cc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)nn2)cc1 ZINC000412003657 823621120 /nfs/dbraw/zinc/62/11/20/823621120.db2.gz XTMKOUWHMDBYQN-NRFANRHFSA-N 1 2 394.906 4.274 20 0 GIADLO Clc1ccc(-n2cc(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)nn2)cc1 ZINC000412003657 823621121 /nfs/dbraw/zinc/62/11/21/823621121.db2.gz XTMKOUWHMDBYQN-NRFANRHFSA-N 1 2 394.906 4.274 20 0 GIADLO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000412061497 823624954 /nfs/dbraw/zinc/62/49/54/823624954.db2.gz HTKRQBAQJNTEHS-OAHLLOKOSA-N 1 2 380.916 4.112 20 0 GIADLO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000412061497 823624956 /nfs/dbraw/zinc/62/49/56/823624956.db2.gz HTKRQBAQJNTEHS-OAHLLOKOSA-N 1 2 380.916 4.112 20 0 GIADLO O=C(c1c(F)cccc1Cl)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000461393897 823628831 /nfs/dbraw/zinc/62/88/31/823628831.db2.gz ZPVKTJDDVAWXBB-UHFFFAOYSA-N 1 2 382.813 4.375 20 0 GIADLO COc1ccc2oc(C[NH2+][C@H](c3nc(-c4cccnc4)no3)C(C)C)cc2c1 ZINC000124881175 823633566 /nfs/dbraw/zinc/63/35/66/823633566.db2.gz ZFXKSDLUYKGCLU-IBGZPJMESA-N 1 2 378.432 4.373 20 0 GIADLO CC1(C)C[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ccccc2O1 ZINC000412300874 823644406 /nfs/dbraw/zinc/64/44/06/823644406.db2.gz JQFPSXWVEJQYEC-FQEVSTJZSA-N 1 2 393.531 4.270 20 0 GIADLO COc1ccc2cc([C@H](C)C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000125009955 823644812 /nfs/dbraw/zinc/64/48/12/823644812.db2.gz BJRJAQAMBADSAS-PNLZDCPESA-N 1 2 377.488 4.258 20 0 GIADLO CCc1cc(O)ccc1NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000191087423 823647103 /nfs/dbraw/zinc/64/71/03/823647103.db2.gz QVOFXAFLVZNANW-UHFFFAOYSA-N 1 2 375.472 4.133 20 0 GIADLO CCc1cc(O)ccc1NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000191087423 823647104 /nfs/dbraw/zinc/64/71/04/823647104.db2.gz QVOFXAFLVZNANW-UHFFFAOYSA-N 1 2 375.472 4.133 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc2c3c([nH]c21)CCCC3 ZINC000063109438 823651766 /nfs/dbraw/zinc/65/17/66/823651766.db2.gz AYSBVGQSPCPXHU-UHFFFAOYSA-N 1 2 388.446 4.302 20 0 GIADLO Cc1sc2[nH]c(C[NH+]3[C@H](C)CC(O)C[C@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000191145538 823653588 /nfs/dbraw/zinc/65/35/88/823653588.db2.gz QGTRIWBHKMKKOV-ZIAGYGMSSA-N 1 2 397.544 4.002 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000412406902 823653858 /nfs/dbraw/zinc/65/38/58/823653858.db2.gz ZDEUYERKFCAGDA-UHFFFAOYSA-N 1 2 399.416 4.119 20 0 GIADLO Cc1cccc(C(C)(C)CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000063336270 823663987 /nfs/dbraw/zinc/66/39/87/823663987.db2.gz BEGMMPAJVHLIIX-UHFFFAOYSA-N 1 2 376.504 4.017 20 0 GIADLO Clc1sc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1Br ZINC000191285796 823667464 /nfs/dbraw/zinc/66/74/64/823667464.db2.gz UQNYORVDTSWOCY-LBPRGKRZSA-N 1 2 394.762 4.324 20 0 GIADLO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000191290586 823668174 /nfs/dbraw/zinc/66/81/74/823668174.db2.gz PASYPMNRGJUNEI-LLVKDONJSA-N 1 2 393.778 4.148 20 0 GIADLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000191290586 823668177 /nfs/dbraw/zinc/66/81/77/823668177.db2.gz PASYPMNRGJUNEI-LLVKDONJSA-N 1 2 393.778 4.148 20 0 GIADLO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000125350114 823670032 /nfs/dbraw/zinc/67/00/32/823670032.db2.gz POZKBSIAPHPFLX-UWJYYQICSA-N 1 2 392.478 4.158 20 0 GIADLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191321306 823671455 /nfs/dbraw/zinc/67/14/55/823671455.db2.gz ZMFURFBRUOYCSN-JTQLQIEISA-N 1 2 392.397 4.108 20 0 GIADLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191321306 823671459 /nfs/dbraw/zinc/67/14/59/823671459.db2.gz ZMFURFBRUOYCSN-JTQLQIEISA-N 1 2 392.397 4.108 20 0 GIADLO C[C@@H]1CN(C(=O)CCCCC(=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000412693358 823675731 /nfs/dbraw/zinc/67/57/31/823675731.db2.gz FRNGBXRCLGUGEE-HXUWFJFHSA-N 1 2 378.516 4.163 20 0 GIADLO C[C@@H]1CN(C(=O)CCCCC(=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000412693358 823675735 /nfs/dbraw/zinc/67/57/35/823675735.db2.gz FRNGBXRCLGUGEE-HXUWFJFHSA-N 1 2 378.516 4.163 20 0 GIADLO O=C(C[NH+]1CCC(OC2CCCCC2)CC1)Nc1nc(-c2ccco2)cs1 ZINC000125442775 823676484 /nfs/dbraw/zinc/67/64/84/823676484.db2.gz ZWCYJRYAZOFVFV-UHFFFAOYSA-N 1 2 389.521 4.155 20 0 GIADLO Cc1nnc([C@H](C)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1 ZINC000125632983 823691733 /nfs/dbraw/zinc/69/17/33/823691733.db2.gz DZLCQCAODHOKBM-HRAATJIYSA-N 1 2 396.922 4.500 20 0 GIADLO Cc1ccc(CC[N@H+](Cc2ccco2)Cc2nc3ccccc3c(=O)n2C)cc1 ZINC000461766030 823693333 /nfs/dbraw/zinc/69/33/33/823693333.db2.gz NMTPGRPXPAKUAX-UHFFFAOYSA-N 1 2 387.483 4.080 20 0 GIADLO Cc1ccc(CC[N@@H+](Cc2ccco2)Cc2nc3ccccc3c(=O)n2C)cc1 ZINC000461766030 823693336 /nfs/dbraw/zinc/69/33/36/823693336.db2.gz NMTPGRPXPAKUAX-UHFFFAOYSA-N 1 2 387.483 4.080 20 0 GIADLO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000461792781 823696038 /nfs/dbraw/zinc/69/60/38/823696038.db2.gz ZEHOACBOOVKMOV-OAQYLSRUSA-N 1 2 397.906 4.305 20 0 GIADLO CC(C)[N@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1cccnc1 ZINC000125682079 823696277 /nfs/dbraw/zinc/69/62/77/823696277.db2.gz VQHQUWVOOOTDJE-UHFFFAOYSA-N 1 2 393.310 4.366 20 0 GIADLO CC(C)[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1cccnc1 ZINC000125682079 823696279 /nfs/dbraw/zinc/69/62/79/823696279.db2.gz VQHQUWVOOOTDJE-UHFFFAOYSA-N 1 2 393.310 4.366 20 0 GIADLO C[C@@H]([NH2+]Cc1c(C2CC2)nc2sccn12)c1nc(-c2cccc(F)c2)no1 ZINC000191533259 823696734 /nfs/dbraw/zinc/69/67/34/823696734.db2.gz QUPLEOHEGJDZLF-LLVKDONJSA-N 1 2 383.452 4.313 20 0 GIADLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nnc(-c2ccccc2F)n1C ZINC000191541612 823697767 /nfs/dbraw/zinc/69/77/67/823697767.db2.gz GHVSMWCANTZJGL-UHFFFAOYSA-N 1 2 379.464 4.408 20 0 GIADLO CC(C)(CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(Cl)c1 ZINC000063808864 823698696 /nfs/dbraw/zinc/69/86/96/823698696.db2.gz SNIIUXHKSCUJIM-UHFFFAOYSA-N 1 2 386.927 4.112 20 0 GIADLO CCOc1cccc2cc([C@H](C)Nc3cc(N4CC[C@@H]([C@H](C)O)C4)nc[nH+]3)oc21 ZINC000413045518 823701507 /nfs/dbraw/zinc/70/15/07/823701507.db2.gz YFURLYXDXGDKDY-YQQAZPJKSA-N 1 2 396.491 4.002 20 0 GIADLO CCOc1cccc2cc([C@H](C)Nc3cc(N4CC[C@@H]([C@H](C)O)C4)[nH+]cn3)oc21 ZINC000413045518 823701510 /nfs/dbraw/zinc/70/15/10/823701510.db2.gz YFURLYXDXGDKDY-YQQAZPJKSA-N 1 2 396.491 4.002 20 0 GIADLO CC(C)[C@@H]1CCC[N@@H+]1Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S ZINC000063858839 823703110 /nfs/dbraw/zinc/70/31/10/823703110.db2.gz DGPYNEKDXYVJFD-HOTGVXAUSA-N 1 2 392.594 4.399 20 0 GIADLO CC(C)[C@@H]1CCC[N@H+]1Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S ZINC000063858839 823703114 /nfs/dbraw/zinc/70/31/14/823703114.db2.gz DGPYNEKDXYVJFD-HOTGVXAUSA-N 1 2 392.594 4.399 20 0 GIADLO CC(C)[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O ZINC000063858646 823703121 /nfs/dbraw/zinc/70/31/21/823703121.db2.gz DADAGLJXGVCDNK-FQEVSTJZSA-N 1 2 383.442 4.420 20 0 GIADLO CC(C)[C@@H]1CCC[N@H+]1Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O ZINC000063858646 823703124 /nfs/dbraw/zinc/70/31/24/823703124.db2.gz DADAGLJXGVCDNK-FQEVSTJZSA-N 1 2 383.442 4.420 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(Oc4ccccc4)cc3)[nH+]cn2)C1 ZINC000413098454 823706748 /nfs/dbraw/zinc/70/67/48/823706748.db2.gz AOWNNYDRNGBGEC-HKUYNNGSSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(Oc4ccccc4)cc3)nc[nH+]2)C1 ZINC000413098454 823706750 /nfs/dbraw/zinc/70/67/50/823706750.db2.gz AOWNNYDRNGBGEC-HKUYNNGSSA-N 1 2 390.487 4.088 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000125778773 823708400 /nfs/dbraw/zinc/70/84/00/823708400.db2.gz XFFMEFLLLLUUPV-APWZRJJASA-N 1 2 398.869 4.079 20 0 GIADLO CCn1c(=S)n(C[N@@H+]2CCC[C@H]2c2cc(C)ccc2C)nc1-c1cnccn1 ZINC000163439678 823709826 /nfs/dbraw/zinc/70/98/26/823709826.db2.gz WGWXBSNMNVXRRE-IBGZPJMESA-N 1 2 394.548 4.302 20 0 GIADLO CCn1c(=S)n(C[N@H+]2CCC[C@H]2c2cc(C)ccc2C)nc1-c1cnccn1 ZINC000163439678 823709831 /nfs/dbraw/zinc/70/98/31/823709831.db2.gz WGWXBSNMNVXRRE-IBGZPJMESA-N 1 2 394.548 4.302 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191615067 823713240 /nfs/dbraw/zinc/71/32/40/823713240.db2.gz SNUBVZAEXPPIKJ-UHFFFAOYSA-N 1 2 392.547 4.407 20 0 GIADLO CC(C)c1[nH+]c(CNc2cccc([C@H](C)N3CCOCC3)c2)c2ccccn21 ZINC000574404351 823720809 /nfs/dbraw/zinc/72/08/09/823720809.db2.gz NPKUPSKEZMQJNP-SFHVURJKSA-N 1 2 378.520 4.463 20 0 GIADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC000191656712 823725253 /nfs/dbraw/zinc/72/52/53/823725253.db2.gz OHHSPVJYIWIATI-HNNXBMFYSA-N 1 2 391.471 4.237 20 0 GIADLO COc1ccc([C@@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1F ZINC000163608027 823727629 /nfs/dbraw/zinc/72/76/29/823727629.db2.gz WCYRCOCWYDGXLZ-CABCVRRESA-N 1 2 391.512 4.045 20 0 GIADLO Fc1cccnc1OC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000574514258 823753592 /nfs/dbraw/zinc/75/35/92/823753592.db2.gz MFNPXPHSSCZFSI-UHFFFAOYSA-N 1 2 395.356 4.424 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cs1)c1ccc(C)cc1 ZINC000064142781 823754119 /nfs/dbraw/zinc/75/41/19/823754119.db2.gz VDFINXSQTGBRFA-QGZVFWFLSA-N 1 2 395.532 4.239 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cs1)c1ccc(C)cc1 ZINC000064142781 823754124 /nfs/dbraw/zinc/75/41/24/823754124.db2.gz VDFINXSQTGBRFA-QGZVFWFLSA-N 1 2 395.532 4.239 20 0 GIADLO COCC[N@@H+](Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)CC(C)C ZINC000064141038 823754138 /nfs/dbraw/zinc/75/41/38/823754138.db2.gz YAAQWMJALTZJEM-UHFFFAOYSA-N 1 2 375.538 4.241 20 0 GIADLO COCC[N@H+](Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)CC(C)C ZINC000064141038 823754146 /nfs/dbraw/zinc/75/41/46/823754146.db2.gz YAAQWMJALTZJEM-UHFFFAOYSA-N 1 2 375.538 4.241 20 0 GIADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(O)ccc1Br)c1ccccc1 ZINC000574558433 823765446 /nfs/dbraw/zinc/76/54/46/823765446.db2.gz IUHBVQAYHYHXKE-SFHVURJKSA-N 1 2 392.293 4.327 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1C ZINC000126017506 823767407 /nfs/dbraw/zinc/76/74/07/823767407.db2.gz FCSCYZGLPPOOSK-CABCVRRESA-N 1 2 394.393 4.026 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000191794276 823770542 /nfs/dbraw/zinc/77/05/42/823770542.db2.gz XQUADQACHHOYBF-UHFFFAOYSA-N 1 2 394.903 4.060 20 0 GIADLO CC1(c2ccccc2)CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000164102607 823777729 /nfs/dbraw/zinc/77/77/29/823777729.db2.gz VJRBFBCZQGHZQQ-UHFFFAOYSA-N 1 2 388.515 4.195 20 0 GIADLO CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000126097116 823786612 /nfs/dbraw/zinc/78/66/12/823786612.db2.gz DTMLILZBLHXDEH-PBHICJAKSA-N 1 2 391.899 4.057 20 0 GIADLO CCn1c(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc2ccccc21 ZINC000126105189 823789290 /nfs/dbraw/zinc/78/92/90/823789290.db2.gz VWPAWKWUUCVRJG-UHFFFAOYSA-N 1 2 377.488 4.054 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000126108796 823790214 /nfs/dbraw/zinc/79/02/14/823790214.db2.gz FNBIKFXEMLJJTE-UHFFFAOYSA-N 1 2 376.456 4.340 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(Cl)sc1Cl ZINC000126116334 823791738 /nfs/dbraw/zinc/79/17/38/823791738.db2.gz CPPTZQCUNYXMFJ-UHFFFAOYSA-N 1 2 385.316 4.448 20 0 GIADLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ncc(-c2ccccc2)o1 ZINC000574658408 823792459 /nfs/dbraw/zinc/79/24/59/823792459.db2.gz WURZYWWKEFYRTP-WMHILYHISA-N 1 2 397.425 4.242 20 0 GIADLO COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000126118762 823792590 /nfs/dbraw/zinc/79/25/90/823792590.db2.gz PHAWNIYIROSXDZ-BEFAXECRSA-N 1 2 398.894 4.059 20 0 GIADLO COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000126119291 823792597 /nfs/dbraw/zinc/79/25/97/823792597.db2.gz PHAWNIYIROSXDZ-HNAYVOBHSA-N 1 2 398.894 4.059 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000191842096 823793396 /nfs/dbraw/zinc/79/33/96/823793396.db2.gz NMYGGGBPRGGUQV-UHFFFAOYSA-N 1 2 398.429 4.331 20 0 GIADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000574668812 823794943 /nfs/dbraw/zinc/79/49/43/823794943.db2.gz GSYGTZXJHZCASP-CHWSQXEVSA-N 1 2 381.549 4.207 20 0 GIADLO COC(=O)[C@H]1CC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000191857227 823797178 /nfs/dbraw/zinc/79/71/78/823797178.db2.gz IZTBLYDAUXKBPV-GUYCJALGSA-N 1 2 378.925 4.018 20 0 GIADLO COC(=O)[C@H]1CC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000191857227 823797189 /nfs/dbraw/zinc/79/71/89/823797189.db2.gz IZTBLYDAUXKBPV-GUYCJALGSA-N 1 2 378.925 4.018 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc(-c2ccccc2)ns1 ZINC000462027334 823801098 /nfs/dbraw/zinc/80/10/98/823801098.db2.gz RZGMSNFWKJYGMA-UHFFFAOYSA-N 1 2 388.496 4.027 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000164412776 823801863 /nfs/dbraw/zinc/80/18/63/823801863.db2.gz FMXQJSUWVZAVON-XOBRGWDASA-N 1 2 390.886 4.252 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(F)ccc1Br ZINC000191914347 823810546 /nfs/dbraw/zinc/81/05/46/823810546.db2.gz DKEVFWZWAMMKCL-UHFFFAOYSA-N 1 2 397.292 4.291 20 0 GIADLO Cc1nc(COc2cccc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)c2)cs1 ZINC000064440548 823819652 /nfs/dbraw/zinc/81/96/52/823819652.db2.gz GRLQKAQQEJVFFW-LJQANCHMSA-N 1 2 398.532 4.072 20 0 GIADLO CC(C)Cn1ccnc1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000164789662 823819709 /nfs/dbraw/zinc/81/97/09/823819709.db2.gz RRONZWDYWFYIKG-MRXNPFEDSA-N 1 2 378.314 4.305 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C[C@H]2CCOC2)C2CC2)cs1)c1ccc(C)cc1C ZINC000164814725 823821284 /nfs/dbraw/zinc/82/12/84/823821284.db2.gz NCLHXNLXJRWPJG-GOSISDBHSA-N 1 2 399.560 4.445 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cs1)c1ccc(C)cc1C ZINC000164814725 823821291 /nfs/dbraw/zinc/82/12/91/823821291.db2.gz NCLHXNLXJRWPJG-GOSISDBHSA-N 1 2 399.560 4.445 20 0 GIADLO O=C(Nc1ccncc1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000064461631 823824018 /nfs/dbraw/zinc/82/40/18/823824018.db2.gz QABSQLNTXNBVGX-UHFFFAOYSA-N 1 2 387.846 4.195 20 0 GIADLO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000574797696 823829858 /nfs/dbraw/zinc/82/98/58/823829858.db2.gz IBNKYGQWHULGQG-GJZGRUSLSA-N 1 2 394.462 4.422 20 0 GIADLO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000574797696 823829862 /nfs/dbraw/zinc/82/98/62/823829862.db2.gz IBNKYGQWHULGQG-GJZGRUSLSA-N 1 2 394.462 4.422 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000126294518 823832042 /nfs/dbraw/zinc/83/20/42/823832042.db2.gz PULXFTUHXKJMOQ-UHFFFAOYSA-N 1 2 396.531 4.043 20 0 GIADLO O=C(C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 ZINC000165113382 823834814 /nfs/dbraw/zinc/83/48/14/823834814.db2.gz HJWJVILCSBOJCG-NRFANRHFSA-N 1 2 393.874 4.248 20 0 GIADLO C[C@H]1CCN(C(=O)CCOc2ccccc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000126321823 823839317 /nfs/dbraw/zinc/83/93/17/823839317.db2.gz NTYZHMRLHZBMSZ-SIKLNZKXSA-N 1 2 389.499 4.429 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000192036729 823839195 /nfs/dbraw/zinc/83/91/95/823839195.db2.gz BNYSHWKXTYSJMR-UHFFFAOYSA-N 1 2 380.897 4.058 20 0 GIADLO CC(C)OCc1cccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000064543677 823839736 /nfs/dbraw/zinc/83/97/36/823839736.db2.gz RZNUTVGXOUDIIA-UHFFFAOYSA-N 1 2 378.476 4.178 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)no2)cc1 ZINC000192042051 823841462 /nfs/dbraw/zinc/84/14/62/823841462.db2.gz HGRSVLIOFPFCPG-MJGOQNOKSA-N 1 2 385.851 4.018 20 0 GIADLO Clc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2nc(CCc3ccccc3)no2)cc1 ZINC000192055447 823845626 /nfs/dbraw/zinc/84/56/26/823845626.db2.gz RUAZXAXXCHDIDW-NQIIRXRSSA-N 1 2 383.879 4.128 20 0 GIADLO Cc1ccccc1-c1nc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)no1 ZINC000126352161 823846259 /nfs/dbraw/zinc/84/62/59/823846259.db2.gz YJLCVTMECVBFIM-UHFFFAOYSA-N 1 2 394.450 4.035 20 0 GIADLO Cc1ccc(C)c(OC2CC[NH+]([C@@H](C)C(=O)Nc3ccc(F)cc3F)CC2)c1 ZINC000064631754 823854748 /nfs/dbraw/zinc/85/47/48/823854748.db2.gz YIYTWYMONGTHKX-INIZCTEOSA-N 1 2 388.458 4.452 20 0 GIADLO CCOc1ccccc1NC(=O)C[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000064632192 823855383 /nfs/dbraw/zinc/85/53/83/823855383.db2.gz AZOJBVOWKMJOHF-UHFFFAOYSA-N 1 2 382.504 4.184 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCCC[C@@H]2[C@H](C)O)cs1)c1cccc(Cl)c1 ZINC000165720911 823860799 /nfs/dbraw/zinc/86/07/99/823860799.db2.gz OCWVZVRKFNLTME-SCLBCKFNSA-N 1 2 393.940 4.216 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)cs1)c1cccc(Cl)c1 ZINC000165720911 823860807 /nfs/dbraw/zinc/86/08/07/823860807.db2.gz OCWVZVRKFNLTME-SCLBCKFNSA-N 1 2 393.940 4.216 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2ccoc2)n1C1CC1 ZINC000574922902 823861257 /nfs/dbraw/zinc/86/12/57/823861257.db2.gz QFHGPSFBMBQOSD-UHFFFAOYSA-N 1 2 392.507 4.011 20 0 GIADLO FC(F)(F)c1cc(Br)ccc1[C@H]([NH2+]Cc1ncccn1)C1CC1 ZINC000574928391 823861893 /nfs/dbraw/zinc/86/18/93/823861893.db2.gz UMLWDTWCCKPEMF-OAHLLOKOSA-N 1 2 386.215 4.499 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[NH+]2CCC(COC)CC2)cs1 ZINC000165838421 823864066 /nfs/dbraw/zinc/86/40/66/823864066.db2.gz XTYRECBGZIJDRV-UHFFFAOYSA-N 1 2 387.549 4.249 20 0 GIADLO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1nc(Cc2ccccc2)no1 ZINC000192137907 823874897 /nfs/dbraw/zinc/87/48/97/823874897.db2.gz CWMXCKGDJHKJON-ORPRQENYSA-N 1 2 385.414 4.119 20 0 GIADLO Cc1c2ccccc2[nH+]c(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C(=O)[O-] ZINC000574991817 823880702 /nfs/dbraw/zinc/88/07/02/823880702.db2.gz KCXQBNZXWBEABA-FOIQADDNSA-N 1 2 395.528 4.220 20 0 GIADLO Cc1c2ccccc2[nH+]c(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C(=O)[O-] ZINC000574991817 823880707 /nfs/dbraw/zinc/88/07/07/823880707.db2.gz KCXQBNZXWBEABA-FOIQADDNSA-N 1 2 395.528 4.220 20 0 GIADLO c1[nH+]c2c(n1CCc1ccccc1)CCN(c1ccnc(Cc3ccccc3)n1)C2 ZINC000167437494 823892216 /nfs/dbraw/zinc/89/22/16/823892216.db2.gz RMJWMXPESZCWKD-UHFFFAOYSA-N 1 2 395.510 4.069 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCc2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000575026286 823892282 /nfs/dbraw/zinc/89/22/82/823892282.db2.gz NTQWZEQQJIODAO-REWPJTCUSA-N 1 2 397.519 4.009 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCc2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000575026286 823892284 /nfs/dbraw/zinc/89/22/84/823892284.db2.gz NTQWZEQQJIODAO-REWPJTCUSA-N 1 2 397.519 4.009 20 0 GIADLO Cc1nc(COc2ccc(CNc3[nH+]c4cc(Cl)ccc4n3C)cc2)no1 ZINC000167762217 823894578 /nfs/dbraw/zinc/89/45/78/823894578.db2.gz JOWVCPMVDRIPSL-UHFFFAOYSA-N 1 2 383.839 4.109 20 0 GIADLO CCN(CC)C(=O)c1cccc(NC(=O)COc2cc(C)[nH+]c3ccccc32)c1 ZINC000192193323 823897697 /nfs/dbraw/zinc/89/76/97/823897697.db2.gz NFSWTJJWZJEMEO-UHFFFAOYSA-N 1 2 391.471 4.043 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)s1 ZINC000414070039 823900760 /nfs/dbraw/zinc/90/07/60/823900760.db2.gz RYALVEQPVDPIJU-OLZOCXBDSA-N 1 2 378.494 4.137 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)CC1 ZINC000462257306 823901370 /nfs/dbraw/zinc/90/13/70/823901370.db2.gz VJFDZGOZMXNNQA-CQSZACIVSA-N 1 2 399.545 4.177 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCc3cc(Br)ccc32)s1 ZINC000414077607 823903256 /nfs/dbraw/zinc/90/32/56/823903256.db2.gz QCLUYGISKXCZJD-RNCFNFMXSA-N 1 2 381.295 4.030 20 0 GIADLO Cc1noc(-c2ccccc2)c1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000126605087 823909394 /nfs/dbraw/zinc/90/93/94/823909394.db2.gz ULJXSDCVXHWKLJ-UHFFFAOYSA-N 1 2 391.406 4.297 20 0 GIADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N[C@H]1CCCc2sc(Cl)cc21 ZINC000575092796 823909894 /nfs/dbraw/zinc/90/98/94/823909894.db2.gz BRPZPJPJVGKDNC-AWEZNQCLSA-N 1 2 387.896 4.240 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCc3c2cccc3Br)s1 ZINC000414104775 823910904 /nfs/dbraw/zinc/91/09/04/823910904.db2.gz VTBLNDRTXXZJTA-ZANVPECISA-N 1 2 381.295 4.030 20 0 GIADLO Cc1c(Cl)cccc1N1CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000575113153 823915572 /nfs/dbraw/zinc/91/55/72/823915572.db2.gz WSWXJIFBHIUPPT-UHFFFAOYSA-N 1 2 383.883 4.040 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000192248903 823916405 /nfs/dbraw/zinc/91/64/05/823916405.db2.gz ZSCIYGDBDWEVTA-UHFFFAOYSA-N 1 2 392.912 4.368 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000192252238 823916903 /nfs/dbraw/zinc/91/69/03/823916903.db2.gz USBIOMIIVCHPNK-UHFFFAOYSA-N 1 2 375.463 4.084 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(Br)c2)s1 ZINC000414133295 823916973 /nfs/dbraw/zinc/91/69/73/823916973.db2.gz GNKULPDIBAJQII-IUCAKERBSA-N 1 2 387.274 4.243 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCc3c2ccc(F)c3Br)s1 ZINC000414145951 823918339 /nfs/dbraw/zinc/91/83/39/823918339.db2.gz KWJPVUNZZSITQT-UFBFGSQYSA-N 1 2 399.285 4.169 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1sc(Cc2ccccc2)nc1C ZINC000192257206 823919325 /nfs/dbraw/zinc/91/93/25/823919325.db2.gz OKXAZVHYAKNGOE-UHFFFAOYSA-N 1 2 396.560 4.354 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000192260269 823920517 /nfs/dbraw/zinc/92/05/17/823920517.db2.gz GVKGWJJERPOCFT-UHFFFAOYSA-N 1 2 396.560 4.359 20 0 GIADLO C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1cncc(Br)c1 ZINC000575138773 823921234 /nfs/dbraw/zinc/92/12/34/823921234.db2.gz MICHXNZFJMUPLO-HNNXBMFYSA-N 1 2 385.309 4.134 20 0 GIADLO O=C(NC1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1)c1ccsc1 ZINC000064990754 823922066 /nfs/dbraw/zinc/92/20/66/823922066.db2.gz VKNQJUULTYDQHV-UHFFFAOYSA-N 1 2 389.571 4.328 20 0 GIADLO CCCOc1ccc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1OCCC ZINC000064998238 823923078 /nfs/dbraw/zinc/92/30/78/823923078.db2.gz NEKMVYQERUAWOW-UHFFFAOYSA-N 1 2 386.492 4.215 20 0 GIADLO CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000575156424 823926289 /nfs/dbraw/zinc/92/62/89/823926289.db2.gz UMMXUKUAMZBFLA-OAQYLSRUSA-N 1 2 396.922 4.405 20 0 GIADLO CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000575156423 823926484 /nfs/dbraw/zinc/92/64/84/823926484.db2.gz UMMXUKUAMZBFLA-NRFANRHFSA-N 1 2 396.922 4.405 20 0 GIADLO Cc1[nH]c2ccc(CNC(=O)NCc3cc[nH+]c(N4CCCCC4)c3)cc2c1C ZINC000065031265 823927349 /nfs/dbraw/zinc/92/73/49/823927349.db2.gz JYCAPJWBUKOQFO-UHFFFAOYSA-N 1 2 391.519 4.169 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(OCC4CCCCC4)cc3)sc2C1 ZINC000065041584 823929143 /nfs/dbraw/zinc/92/91/43/823929143.db2.gz VASIHXQSAZGQLO-UHFFFAOYSA-N 1 2 385.533 4.342 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(OCC4CCCCC4)cc3)sc2C1 ZINC000065041584 823929153 /nfs/dbraw/zinc/92/91/53/823929153.db2.gz VASIHXQSAZGQLO-UHFFFAOYSA-N 1 2 385.533 4.342 20 0 GIADLO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ncc(-c2ccccc2)o1 ZINC000126722382 823935680 /nfs/dbraw/zinc/93/56/80/823935680.db2.gz VOWWYLHUOREYKT-DYVFJYSZSA-N 1 2 383.398 4.076 20 0 GIADLO Cc1ccc(-c2nc(C(=O)N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)cs2)o1 ZINC000575204571 823938440 /nfs/dbraw/zinc/93/84/40/823938440.db2.gz LKTIFXKGHVAKBN-SHTZXODSSA-N 1 2 382.489 4.260 20 0 GIADLO CC[C@@H](C)[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000575218074 823942914 /nfs/dbraw/zinc/94/29/14/823942914.db2.gz QJNTYEBLEMRUGW-CVEARBPZSA-N 1 2 392.341 4.357 20 0 GIADLO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCCC[C@H]2F)c2cc(F)ccc2F)c1 ZINC000414284225 823951384 /nfs/dbraw/zinc/95/13/84/823951384.db2.gz KIOIDASMNSTCOP-AQNXPRMDSA-N 1 2 397.462 4.328 20 0 GIADLO COc1ccccc1-c1nc(C2CC[NH+]([C@H](C)c3nc(C(C)C)no3)CC2)no1 ZINC000192343333 823954039 /nfs/dbraw/zinc/95/40/39/823954039.db2.gz ZEXLANSLVGOZMD-CQSZACIVSA-N 1 2 397.479 4.192 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000414335808 823960289 /nfs/dbraw/zinc/96/02/89/823960289.db2.gz YQCZCRHVICFAOS-CJNGLKHVSA-N 1 2 391.512 4.353 20 0 GIADLO CO[C@@H](C)c1noc(C[NH2+][C@@](C)(c2ccc(Br)cc2)C(C)C)n1 ZINC000192373740 823963497 /nfs/dbraw/zinc/96/34/97/823963497.db2.gz ZJLFKBOHCBCIBO-YVEFUNNKSA-N 1 2 382.302 4.201 20 0 GIADLO CCSc1cccc(F)c1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000575371381 823964298 /nfs/dbraw/zinc/96/42/98/823964298.db2.gz IHTHFRTWVUPJMH-UHFFFAOYSA-N 1 2 379.526 4.349 20 0 GIADLO CCc1ncc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cn1 ZINC000414368675 823966932 /nfs/dbraw/zinc/96/69/32/823966932.db2.gz HPGVENLGUWVCPX-QFIPXVFZSA-N 1 2 395.528 4.265 20 0 GIADLO CCc1ncc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cn1 ZINC000414368675 823966940 /nfs/dbraw/zinc/96/69/40/823966940.db2.gz HPGVENLGUWVCPX-QFIPXVFZSA-N 1 2 395.528 4.265 20 0 GIADLO Cc1nc(C)c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000575637038 823981841 /nfs/dbraw/zinc/98/18/41/823981841.db2.gz CNXNBHUEAMPZFP-HUUCEWRRSA-N 1 2 382.892 4.119 20 0 GIADLO Cc1nc(C)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000575637038 823981846 /nfs/dbraw/zinc/98/18/46/823981846.db2.gz CNXNBHUEAMPZFP-HUUCEWRRSA-N 1 2 382.892 4.119 20 0 GIADLO COc1cccc2cc(C(=O)Nc3ccccc3C[NH+]3C[C@@H](C)O[C@H](C)C3)oc21 ZINC000126927081 823982720 /nfs/dbraw/zinc/98/27/20/823982720.db2.gz FPYUUROLNPTBNQ-HZPDHXFCSA-N 1 2 394.471 4.303 20 0 GIADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000192422976 823985319 /nfs/dbraw/zinc/98/53/19/823985319.db2.gz JAHMSKMZONDTLN-LBPRGKRZSA-N 1 2 397.281 4.438 20 0 GIADLO Cc1cc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1Br ZINC000575776656 823991960 /nfs/dbraw/zinc/99/19/60/823991960.db2.gz UTGQVABDLQTUPY-UHFFFAOYSA-N 1 2 399.292 4.324 20 0 GIADLO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2c(F)cccc2Cl)c1 ZINC000414479480 823992084 /nfs/dbraw/zinc/99/20/84/823992084.db2.gz IGMSNODYAFFORR-UHFFFAOYSA-N 1 2 376.280 4.216 20 0 GIADLO CCCCCN(C)c1ccc(F)cc1C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414502245 823996558 /nfs/dbraw/zinc/99/65/58/823996558.db2.gz FZPOZGQTLVTGNX-UHFFFAOYSA-N 1 2 392.540 4.145 20 0 GIADLO CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000192474657 824005006 /nfs/dbraw/zinc/00/50/06/824005006.db2.gz OOGYMVZWUYDJHI-MRXNPFEDSA-N 1 2 398.478 4.146 20 0 GIADLO CC(C)[N@@H+](Cc1nccn1C(F)F)C[C@H](O)COc1cccc2ccccc21 ZINC000170930955 824007678 /nfs/dbraw/zinc/00/76/78/824007678.db2.gz ZEZVUXZUCYBUKL-KRWDZBQOSA-N 1 2 389.446 4.082 20 0 GIADLO CC(C)[N@H+](Cc1nccn1C(F)F)C[C@H](O)COc1cccc2ccccc21 ZINC000170930955 824007686 /nfs/dbraw/zinc/00/76/86/824007686.db2.gz ZEZVUXZUCYBUKL-KRWDZBQOSA-N 1 2 389.446 4.082 20 0 GIADLO Fc1ccc(C2([NH2+]Cc3nnc(-c4cccc(Cl)c4)o3)CCOCC2)cc1 ZINC000170972189 824024088 /nfs/dbraw/zinc/02/40/88/824024088.db2.gz XKZUCLGNPGBQHX-UHFFFAOYSA-N 1 2 387.842 4.325 20 0 GIADLO CCc1nc2cc(S(=O)(=O)N(Cc3ccccc3)c3cc[nH+]cc3)ccc2o1 ZINC000575949533 824035041 /nfs/dbraw/zinc/03/50/41/824035041.db2.gz WNYJBGLFRBLBAF-UHFFFAOYSA-N 1 2 393.468 4.181 20 0 GIADLO CCC[N@H+](Cc1nnc(-c2ccco2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000171065949 824053658 /nfs/dbraw/zinc/05/36/58/824053658.db2.gz DUDYQGLVHMPCHF-LJQANCHMSA-N 1 2 380.492 4.206 20 0 GIADLO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000171065949 824053664 /nfs/dbraw/zinc/05/36/64/824053664.db2.gz DUDYQGLVHMPCHF-LJQANCHMSA-N 1 2 380.492 4.206 20 0 GIADLO COc1ccc(-c2nc(C[N@H+]3CCc4cc(OC)c(OC)cc4C3)cs2)cc1 ZINC000059149025 209113133 /nfs/dbraw/zinc/11/31/33/209113133.db2.gz CILWRSDWEVZXPT-UHFFFAOYSA-N 1 2 396.512 4.394 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cs2)cc1 ZINC000059149025 209113127 /nfs/dbraw/zinc/11/31/27/209113127.db2.gz CILWRSDWEVZXPT-UHFFFAOYSA-N 1 2 396.512 4.394 20 0 GIADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000359874788 206266102 /nfs/dbraw/zinc/26/61/02/206266102.db2.gz MWJXQXJCDUGCLY-OXQOHEQNSA-N 1 2 392.528 4.051 20 0 GIADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000359874788 206266105 /nfs/dbraw/zinc/26/61/05/206266105.db2.gz MWJXQXJCDUGCLY-OXQOHEQNSA-N 1 2 392.528 4.051 20 0 GIADLO Cc1ccc2cc(Cl)nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165009055 721709082 /nfs/dbraw/zinc/70/90/82/721709082.db2.gz NYWTYHGIZGLAAT-UHFFFAOYSA-N 1 2 398.942 4.039 20 0 GIADLO Cc1ccc2cc(Cl)nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165009055 721709086 /nfs/dbraw/zinc/70/90/86/721709086.db2.gz NYWTYHGIZGLAAT-UHFFFAOYSA-N 1 2 398.942 4.039 20 0 GIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)cc3cccc(C)c32)CC1 ZINC001164918543 721821258 /nfs/dbraw/zinc/82/12/58/721821258.db2.gz FPHFKOGABDIXDK-UHFFFAOYSA-N 1 2 395.938 4.143 20 0 GIADLO CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000175851469 823055529 /nfs/dbraw/zinc/05/55/29/823055529.db2.gz HTKQVBQVMGXLMF-HNNXBMFYSA-N 1 2 383.521 4.102 20 0 GIADLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000175871467 823060238 /nfs/dbraw/zinc/06/02/38/823060238.db2.gz YOZQLKNGSHAOGQ-CQSZACIVSA-N 1 2 390.528 4.120 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000570608896 823061598 /nfs/dbraw/zinc/06/15/98/823061598.db2.gz NUOIKMRAFQRSPO-UHFFFAOYSA-N 1 2 378.516 4.306 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000570608896 823061602 /nfs/dbraw/zinc/06/16/02/823061602.db2.gz NUOIKMRAFQRSPO-UHFFFAOYSA-N 1 2 378.516 4.306 20 0 GIADLO Cc1cccc(C)c1[C@@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000570628482 823064546 /nfs/dbraw/zinc/06/45/46/823064546.db2.gz GBJIRKGEOPLDPM-GOSISDBHSA-N 1 2 380.536 4.486 20 0 GIADLO CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000175898854 823066933 /nfs/dbraw/zinc/06/69/33/823066933.db2.gz FGAJSKQXMOMFPF-LJQANCHMSA-N 1 2 380.467 4.174 20 0 GIADLO COc1ccc([C@H](C)[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1NC(C)=O ZINC000120861238 823078763 /nfs/dbraw/zinc/07/87/63/823078763.db2.gz QAAQARNOGBEMCX-JTSKRJEESA-N 1 2 381.520 4.141 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1C ZINC000175978640 823087384 /nfs/dbraw/zinc/08/73/84/823087384.db2.gz VGXASRMAFDWPRG-OAQYLSRUSA-N 1 2 383.467 4.086 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1C ZINC000175978640 823087387 /nfs/dbraw/zinc/08/73/87/823087387.db2.gz VGXASRMAFDWPRG-OAQYLSRUSA-N 1 2 383.467 4.086 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000175986966 823089302 /nfs/dbraw/zinc/08/93/02/823089302.db2.gz MIVXUZIBOJFSID-RTWAWAEBSA-N 1 2 396.510 4.025 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000458820571 823091682 /nfs/dbraw/zinc/09/16/82/823091682.db2.gz QZLYWJQOWUOUOV-QGZVFWFLSA-N 1 2 394.441 4.097 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(Cl)ccc1OC(F)F ZINC000176035175 823102002 /nfs/dbraw/zinc/10/20/02/823102002.db2.gz MBOGLFBJOZDDIT-UHFFFAOYSA-N 1 2 391.805 4.116 20 0 GIADLO O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056208345 823103583 /nfs/dbraw/zinc/10/35/83/823103583.db2.gz PQIZMEFRAWCJEM-UHFFFAOYSA-N 1 2 397.360 4.329 20 0 GIADLO C[C@H](F)CCNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000458901144 823103763 /nfs/dbraw/zinc/10/37/63/823103763.db2.gz YAICUEQNQLILIO-AWEZNQCLSA-N 1 2 384.858 4.026 20 0 GIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCCCC2(F)F)c(C)c1 ZINC000570901735 823105388 /nfs/dbraw/zinc/10/53/88/823105388.db2.gz SWCXHTWLPVHURB-MJGOQNOKSA-N 1 2 390.478 4.366 20 0 GIADLO COc1ccc(OC)c(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121082012 823115206 /nfs/dbraw/zinc/11/52/06/823115206.db2.gz DUDUCWKMASQHFG-AWEZNQCLSA-N 1 2 391.537 4.224 20 0 GIADLO COc1ccc(OC)c(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121082012 823115209 /nfs/dbraw/zinc/11/52/09/823115209.db2.gz DUDUCWKMASQHFG-AWEZNQCLSA-N 1 2 391.537 4.224 20 0 GIADLO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000459011078 823116442 /nfs/dbraw/zinc/11/64/42/823116442.db2.gz MYOIJRSYHYSZLZ-YOEHRIQHSA-N 1 2 376.863 4.243 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)[C@@H]2CCSC2)cs1)c1cccc(Cl)c1 ZINC000121095679 823117558 /nfs/dbraw/zinc/11/75/58/823117558.db2.gz MZFUIPRLERQNNW-MRXNPFEDSA-N 1 2 381.954 4.418 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)[C@@H]2CCSC2)cs1)c1cccc(Cl)c1 ZINC000121095679 823117562 /nfs/dbraw/zinc/11/75/62/823117562.db2.gz MZFUIPRLERQNNW-MRXNPFEDSA-N 1 2 381.954 4.418 20 0 GIADLO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121112485 823120555 /nfs/dbraw/zinc/12/05/55/823120555.db2.gz HZIATSHTLJZSKC-CQSZACIVSA-N 1 2 388.537 4.165 20 0 GIADLO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121112485 823120557 /nfs/dbraw/zinc/12/05/57/823120557.db2.gz HZIATSHTLJZSKC-CQSZACIVSA-N 1 2 388.537 4.165 20 0 GIADLO CCOc1ccc(Oc2ccccc2NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000571019612 823121118 /nfs/dbraw/zinc/12/11/18/823121118.db2.gz LFPQTOKYHLLBDM-INIZCTEOSA-N 1 2 377.444 4.275 20 0 GIADLO Brc1ccc(C2(c3noc(Cn4cc[nH+]c4)n3)CCCCC2)cc1 ZINC000571045678 823124471 /nfs/dbraw/zinc/12/44/71/823124471.db2.gz BUDNLBYAPGJLSY-UHFFFAOYSA-N 1 2 387.281 4.327 20 0 GIADLO Cc1cc(Br)c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000571055604 823125995 /nfs/dbraw/zinc/12/59/95/823125995.db2.gz MBRWFADQYSBFLZ-NSHDSACASA-N 1 2 382.689 4.154 20 0 GIADLO O=C(c1ccc(C[N@H+]2CCc3c(Br)cccc3C2)cc1)N1CCCC1 ZINC000121152474 823128225 /nfs/dbraw/zinc/12/82/25/823128225.db2.gz UMUMSMCUHOOSCM-UHFFFAOYSA-N 1 2 399.332 4.243 20 0 GIADLO O=C(c1ccc(C[N@@H+]2CCc3c(Br)cccc3C2)cc1)N1CCCC1 ZINC000121152474 823128228 /nfs/dbraw/zinc/12/82/28/823128228.db2.gz UMUMSMCUHOOSCM-UHFFFAOYSA-N 1 2 399.332 4.243 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000571084189 823129460 /nfs/dbraw/zinc/12/94/60/823129460.db2.gz JUIWRECLRKMXKV-JXFKEZNVSA-N 1 2 377.448 4.185 20 0 GIADLO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)NCc1c[nH+]c(C)cc1C ZINC000459114849 823129758 /nfs/dbraw/zinc/12/97/58/823129758.db2.gz IPDHNZOMKLJXFE-HXUWFJFHSA-N 1 2 377.492 4.115 20 0 GIADLO CCOC(=O)c1ccc2c(c1)nc(C[NH2+]C(C)(C)c1ncc(C)s1)n2CC ZINC000571122018 823135789 /nfs/dbraw/zinc/13/57/89/823135789.db2.gz ZIBYMSRFMUADRP-UHFFFAOYSA-N 1 2 386.521 4.023 20 0 GIADLO Cc1cccc(Nc2nn(CN3CC[C@@H](Oc4cc[nH+]cc4)C3)c(=S)s2)c1 ZINC000121180216 823133553 /nfs/dbraw/zinc/13/35/53/823133553.db2.gz XUCYFCIAJOJHRA-QGZVFWFLSA-N 1 2 399.545 4.232 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000176159446 823139646 /nfs/dbraw/zinc/13/96/46/823139646.db2.gz ROYVILCELIVILF-MRXNPFEDSA-N 1 2 375.428 4.451 20 0 GIADLO CC[C@@]1(C)Oc2ccc(NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)cc2O1 ZINC000571159872 823142497 /nfs/dbraw/zinc/14/24/97/823142497.db2.gz BISUVTJFLVSOCP-VGSWGCGISA-N 1 2 377.444 4.468 20 0 GIADLO CC[C@@](C)([NH2+]Cc1ccc(C(=O)OC)cc1Br)c1nccs1 ZINC000571185858 823145555 /nfs/dbraw/zinc/14/55/55/823145555.db2.gz GXODSNVVTPGWKO-MRXNPFEDSA-N 1 2 383.311 4.107 20 0 GIADLO Fc1ccc([C@@H]2C[N@H+](CCc3nc(-c4ccccc4)no3)CCO2)c(Cl)c1 ZINC000187854627 823147071 /nfs/dbraw/zinc/14/70/71/823147071.db2.gz PRALVMBJXCMUED-SFHVURJKSA-N 1 2 387.842 4.145 20 0 GIADLO Fc1ccc([C@@H]2C[N@@H+](CCc3nc(-c4ccccc4)no3)CCO2)c(Cl)c1 ZINC000187854627 823147075 /nfs/dbraw/zinc/14/70/75/823147075.db2.gz PRALVMBJXCMUED-SFHVURJKSA-N 1 2 387.842 4.145 20 0 GIADLO S=c1n(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)nc(-c2ccncc2)n1Cc1ccco1 ZINC000176196001 823149995 /nfs/dbraw/zinc/14/99/95/823149995.db2.gz HUUHCORLVPOIEQ-HDICACEKSA-N 1 2 395.532 4.197 20 0 GIADLO S=c1n(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)nc(-c2ccncc2)n1Cc1ccco1 ZINC000176196001 823149998 /nfs/dbraw/zinc/14/99/98/823149998.db2.gz HUUHCORLVPOIEQ-HDICACEKSA-N 1 2 395.532 4.197 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2cccc(-n3ccnc3)c2)no1)c1cccc(Cl)c1 ZINC000571243220 823154322 /nfs/dbraw/zinc/15/43/22/823154322.db2.gz HDXDPULNHGJFIS-SFHVURJKSA-N 1 2 379.851 4.227 20 0 GIADLO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cccn2C)cc(Br)c1O ZINC000459297076 823157987 /nfs/dbraw/zinc/15/79/87/823157987.db2.gz FHAWSKIHOQWPDB-INIZCTEOSA-N 1 2 379.298 4.229 20 0 GIADLO CCOc1cc(C[N@H+]2CCC[C@H]2c2cccn2C)cc(Br)c1O ZINC000459297076 823157989 /nfs/dbraw/zinc/15/79/89/823157989.db2.gz FHAWSKIHOQWPDB-INIZCTEOSA-N 1 2 379.298 4.229 20 0 GIADLO C[C@H](CC(=O)N1CCCc2c(Cl)ccc(Br)c21)n1cc[nH+]c1 ZINC000571289285 823160610 /nfs/dbraw/zinc/16/06/10/823160610.db2.gz WQSFEGSQPDAWPR-LLVKDONJSA-N 1 2 382.689 4.230 20 0 GIADLO COCc1cc(O)ccc1NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000571316924 823164203 /nfs/dbraw/zinc/16/42/03/823164203.db2.gz UPHNQCCXMRJPNC-UHFFFAOYSA-N 1 2 392.459 4.382 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)C3Cc4ccccc4C3)n2)C1 ZINC000056554875 823168511 /nfs/dbraw/zinc/16/85/11/823168511.db2.gz ARIINMGQCSXMJD-HNNXBMFYSA-N 1 2 384.549 4.006 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)C3Cc4ccccc4C3)n2)C1 ZINC000056554875 823168517 /nfs/dbraw/zinc/16/85/17/823168517.db2.gz ARIINMGQCSXMJD-HNNXBMFYSA-N 1 2 384.549 4.006 20 0 GIADLO C[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ncc(Br)cn1 ZINC000571350780 823169558 /nfs/dbraw/zinc/16/95/58/823169558.db2.gz LLIXDGIIACSDPU-JTQLQIEISA-N 1 2 390.203 4.031 20 0 GIADLO C[C@@H](c1cccc(NC(=O)N2CCc3cccc(Cl)c3C2)c1)[NH+]1CCOCC1 ZINC000459382571 823178568 /nfs/dbraw/zinc/17/85/68/823178568.db2.gz FUXOWSWMIOIMNW-INIZCTEOSA-N 1 2 399.922 4.323 20 0 GIADLO C[C@H](c1cccc(NC(=O)N[C@@H](C)CCCc2cccnc2)c1)[NH+]1CCOCC1 ZINC000459382129 823178577 /nfs/dbraw/zinc/17/85/77/823178577.db2.gz FDWGWZRYRRSBBH-RBUKOAKNSA-N 1 2 396.535 4.008 20 0 GIADLO Cc1cc(Br)cnc1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571413963 823179769 /nfs/dbraw/zinc/17/97/69/823179769.db2.gz CHVCAYIGIZKMAB-CQSZACIVSA-N 1 2 382.689 4.047 20 0 GIADLO CCN(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1cccc(OC)c1 ZINC000459393995 823182037 /nfs/dbraw/zinc/18/20/37/823182037.db2.gz YYLICKBUFMEFCK-KRWDZBQOSA-N 1 2 383.492 4.147 20 0 GIADLO CC[C@H](C)Oc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000056622056 823183441 /nfs/dbraw/zinc/18/34/41/823183441.db2.gz DEGMLYSCKFEATE-KRWDZBQOSA-N 1 2 378.476 4.430 20 0 GIADLO O[C@H](C[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccccc1)c1cccs1 ZINC000176393672 823197890 /nfs/dbraw/zinc/19/78/90/823197890.db2.gz LISXPZODEPZIPT-MRXNPFEDSA-N 1 2 395.450 4.243 20 0 GIADLO O[C@H](C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccccc1)c1cccs1 ZINC000176393672 823197894 /nfs/dbraw/zinc/19/78/94/823197894.db2.gz LISXPZODEPZIPT-MRXNPFEDSA-N 1 2 395.450 4.243 20 0 GIADLO Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000459479113 823201181 /nfs/dbraw/zinc/20/11/81/823201181.db2.gz UFZHKCIBGXZBDC-KRWDZBQOSA-N 1 2 378.476 4.233 20 0 GIADLO CCO[C@@H]1C[C@H](Nc2cc(CSCCO)cc[nH+]2)[C@H]1Sc1ccccc1 ZINC000459468374 823198787 /nfs/dbraw/zinc/19/87/87/823198787.db2.gz RJTPSAZJOOLJKT-NLWGTHIKSA-N 1 2 390.574 4.057 20 0 GIADLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459474548 823199849 /nfs/dbraw/zinc/19/98/49/823199849.db2.gz YBTXLOLMMPLUDA-ZDUSSCGKSA-N 1 2 386.639 4.382 20 0 GIADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459474548 823199853 /nfs/dbraw/zinc/19/98/53/823199853.db2.gz YBTXLOLMMPLUDA-ZDUSSCGKSA-N 1 2 386.639 4.382 20 0 GIADLO COc1ccc(C(=O)CCCCCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000188225182 823206215 /nfs/dbraw/zinc/20/62/15/823206215.db2.gz XSUSMWHWCLQBKM-GHTZIAJQSA-N 1 2 397.519 4.135 20 0 GIADLO CCOc1ccccc1-c1nn(CN2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(=S)o1 ZINC000121568977 823207809 /nfs/dbraw/zinc/20/78/09/823207809.db2.gz VQJCRMOWZWDSAS-NVXWUHKLSA-N 1 2 399.520 4.008 20 0 GIADLO Cc1cc(F)c(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c(Cl)c1 ZINC000459511988 823208418 /nfs/dbraw/zinc/20/84/18/823208418.db2.gz QCOURCDCVXRCCR-UHFFFAOYSA-N 1 2 376.280 4.134 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCC3)n2)cc1 ZINC000459522971 823210751 /nfs/dbraw/zinc/21/07/51/823210751.db2.gz GNIHKWPWZKTNSY-NRFANRHFSA-N 1 2 393.487 4.129 20 0 GIADLO C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000121587742 823211697 /nfs/dbraw/zinc/21/16/97/823211697.db2.gz XSHFFPAFMLKZQG-SNVBAGLBSA-N 1 2 376.280 4.387 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1)Nc1cc(Cl)ccc1Cl ZINC000121636099 823220014 /nfs/dbraw/zinc/22/00/14/823220014.db2.gz DPAPXOCYNIQYHW-SFHVURJKSA-N 1 2 395.286 4.101 20 0 GIADLO O=C(CC[N@H+]1CCO[C@H](c2cccc(O)c2)C1)Nc1cc(Cl)ccc1Cl ZINC000121636099 823220017 /nfs/dbraw/zinc/22/00/17/823220017.db2.gz DPAPXOCYNIQYHW-SFHVURJKSA-N 1 2 395.286 4.101 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)Cc3csc(-c4ccc(F)cc4)n3)[nH+]c12 ZINC000176498628 823221993 /nfs/dbraw/zinc/22/19/93/823221993.db2.gz MQGZAOYLVFFWQM-AREMUKBSSA-N 1 2 385.489 4.354 20 0 GIADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1cccc(O)c1Br)c1ccccc1 ZINC000459551795 823218672 /nfs/dbraw/zinc/21/86/72/823218672.db2.gz PJOLLTJGVOWJPW-INIZCTEOSA-N 1 2 392.293 4.327 20 0 GIADLO CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056895250 823229259 /nfs/dbraw/zinc/22/92/59/823229259.db2.gz VPSHJNRETZCSPT-QGZVFWFLSA-N 1 2 378.476 4.220 20 0 GIADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459634337 823234311 /nfs/dbraw/zinc/23/43/11/823234311.db2.gz MLIHYIKOYDJVRA-RYUDHWBXSA-N 1 2 397.500 4.258 20 0 GIADLO COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2OC)c(Br)c1O ZINC000459647134 823237627 /nfs/dbraw/zinc/23/76/27/823237627.db2.gz DMSOYEGZFBYISF-GFCCVEGCSA-N 1 2 380.282 4.331 20 0 GIADLO C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)c1nc2c(s1)CCC2 ZINC000459645092 823237039 /nfs/dbraw/zinc/23/70/39/823237039.db2.gz YDTQBGRCUKXUCO-JTQLQIEISA-N 1 2 395.322 4.016 20 0 GIADLO CCc1nnc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)s1 ZINC000571812134 823238366 /nfs/dbraw/zinc/23/83/66/823238366.db2.gz FZTIYRMQXNVTGT-UHFFFAOYSA-N 1 2 389.528 4.302 20 0 GIADLO Clc1ccc(OCc2nc(C[N@@H+]3CC4(CCC4)[C@H]4COC[C@H]43)cs2)cc1 ZINC000459731833 823258195 /nfs/dbraw/zinc/25/81/95/823258195.db2.gz TZRSWRKUPBBYDY-ZWKOTPCHSA-N 1 2 390.936 4.376 20 0 GIADLO Clc1ccc(OCc2nc(C[N@H+]3CC4(CCC4)[C@H]4COC[C@H]43)cs2)cc1 ZINC000459731833 823258197 /nfs/dbraw/zinc/25/81/97/823258197.db2.gz TZRSWRKUPBBYDY-ZWKOTPCHSA-N 1 2 390.936 4.376 20 0 GIADLO Clc1ccc(OCc2nc(C[N@@H+]3CC4(CCC4)[C@@H]4COC[C@H]43)cs2)cc1 ZINC000459731827 823258162 /nfs/dbraw/zinc/25/81/62/823258162.db2.gz TZRSWRKUPBBYDY-QZTJIDSGSA-N 1 2 390.936 4.376 20 0 GIADLO Clc1ccc(OCc2nc(C[N@H+]3CC4(CCC4)[C@@H]4COC[C@H]43)cs2)cc1 ZINC000459731827 823258168 /nfs/dbraw/zinc/25/81/68/823258168.db2.gz TZRSWRKUPBBYDY-QZTJIDSGSA-N 1 2 390.936 4.376 20 0 GIADLO Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)n1 ZINC000176658630 823259759 /nfs/dbraw/zinc/25/97/59/823259759.db2.gz GDBUHYAKLMKOPQ-SFHVURJKSA-N 1 2 385.471 4.166 20 0 GIADLO CC(C)c1ccccc1-n1c(SCCn2cc[nH+]c2)nnc1-c1cccnc1 ZINC000121837406 823260503 /nfs/dbraw/zinc/26/05/03/823260503.db2.gz DVJCTPSIDVBTSJ-UHFFFAOYSA-N 1 2 390.516 4.442 20 0 GIADLO O=C(Cn1cc[nH+]c1)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 ZINC000571969021 823262850 /nfs/dbraw/zinc/26/28/50/823262850.db2.gz UNYFTLXBJJWWFU-UHFFFAOYSA-N 1 2 393.878 4.158 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000121878529 823268711 /nfs/dbraw/zinc/26/87/11/823268711.db2.gz HUMBTAFPTVNHQD-BMIGLBTASA-N 1 2 399.239 4.039 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000057235800 823268708 /nfs/dbraw/zinc/26/87/08/823268708.db2.gz DWDRHUGSVCAJKU-UHFFFAOYSA-N 1 2 399.853 4.352 20 0 GIADLO CCCOc1cccc2c(NCc3cc(S(C)(=O)=O)ccc3F)cc[nH+]c12 ZINC000409650989 823274140 /nfs/dbraw/zinc/27/41/40/823274140.db2.gz VPYYRCFRTJIJRU-UHFFFAOYSA-N 1 2 388.464 4.178 20 0 GIADLO CCCc1ccccc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000057341018 823280402 /nfs/dbraw/zinc/28/04/02/823280402.db2.gz IEHADVNPKCEUNP-UHFFFAOYSA-N 1 2 376.460 4.117 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000572080829 823279648 /nfs/dbraw/zinc/27/96/48/823279648.db2.gz BPOAPCSZTWFDPW-POZUXBRTSA-N 1 2 392.927 4.018 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000572080829 823279651 /nfs/dbraw/zinc/27/96/51/823279651.db2.gz BPOAPCSZTWFDPW-POZUXBRTSA-N 1 2 392.927 4.018 20 0 GIADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572081339 823279812 /nfs/dbraw/zinc/27/98/12/823279812.db2.gz SKYAFHJNIQWJJX-AEFFLSMTSA-N 1 2 391.874 4.298 20 0 GIADLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572081339 823279817 /nfs/dbraw/zinc/27/98/17/823279817.db2.gz SKYAFHJNIQWJJX-AEFFLSMTSA-N 1 2 391.874 4.298 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000572100321 823283511 /nfs/dbraw/zinc/28/35/11/823283511.db2.gz PBEZAGZYDSUQNG-UHFFFAOYSA-N 1 2 394.302 4.179 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000057373630 823283930 /nfs/dbraw/zinc/28/39/30/823283930.db2.gz SEOGRRIIHHHUIE-SFHVURJKSA-N 1 2 388.924 4.467 20 0 GIADLO C[N@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1ccc(F)cc1 ZINC000006976520 817732625 /nfs/dbraw/zinc/73/26/25/817732625.db2.gz ADNIJZLJXCKLEM-UHFFFAOYSA-N 1 2 376.229 4.270 20 0 GIADLO C[N@@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1ccc(F)cc1 ZINC000006976520 817732630 /nfs/dbraw/zinc/73/26/30/817732630.db2.gz ADNIJZLJXCKLEM-UHFFFAOYSA-N 1 2 376.229 4.270 20 0 GIADLO C[C@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000057388226 823287798 /nfs/dbraw/zinc/28/77/98/823287798.db2.gz LWDAKTLPXIXRGK-OAHLLOKOSA-N 1 2 391.437 4.379 20 0 GIADLO CC(C)(C)c1nnc(CNc2cc[nH+]c3c(Br)ccc(F)c23)s1 ZINC000409714964 823289220 /nfs/dbraw/zinc/28/92/20/823289220.db2.gz XUYDNDIIMKILJA-UHFFFAOYSA-N 1 2 395.301 4.319 20 0 GIADLO C[C@H]1CCN(c2ccnc3c(Br)ccc(F)c32)C[C@H]1n1cc[nH+]c1 ZINC000409716711 823289482 /nfs/dbraw/zinc/28/94/82/823289482.db2.gz CQBOTSOUKGJIQE-BLLLJJGKSA-N 1 2 389.272 4.420 20 0 GIADLO CCOc1ccccc1N1CC[NH+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)CC1 ZINC000007341589 817820886 /nfs/dbraw/zinc/82/08/86/817820886.db2.gz OBOQTSYKJCOUST-GOSISDBHSA-N 1 2 392.503 4.327 20 0 GIADLO Cc1ccc2nc(C[NH2+][C@@H](C)c3cc(F)c(Cl)cc3Cl)cc(=O)n2c1 ZINC000007375067 817826776 /nfs/dbraw/zinc/82/67/76/817826776.db2.gz DKYGYPVOACGHFS-NSHDSACASA-N 1 2 380.250 4.300 20 0 GIADLO CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000409729048 823292675 /nfs/dbraw/zinc/29/26/75/823292675.db2.gz QMIWLIKEQPMEDF-GOSISDBHSA-N 1 2 382.504 4.050 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2C)c1 ZINC000007718031 817902566 /nfs/dbraw/zinc/90/25/66/817902566.db2.gz MOQBZTCNYJZZHB-IBGZPJMESA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2C)c1 ZINC000007718031 817902570 /nfs/dbraw/zinc/90/25/70/817902570.db2.gz MOQBZTCNYJZZHB-IBGZPJMESA-N 1 2 388.895 4.441 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1cccc(F)c1 ZINC000007791412 817915956 /nfs/dbraw/zinc/91/59/56/817915956.db2.gz OCIFFZIJIWXJHX-UHFFFAOYSA-N 1 2 391.446 4.149 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1cccc(F)c1 ZINC000007791412 817915960 /nfs/dbraw/zinc/91/59/60/817915960.db2.gz OCIFFZIJIWXJHX-UHFFFAOYSA-N 1 2 391.446 4.149 20 0 GIADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000122081527 823303288 /nfs/dbraw/zinc/30/32/88/823303288.db2.gz BKWBKNNIEDSIKP-GOEBONIOSA-N 1 2 396.491 4.308 20 0 GIADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000122081527 823303296 /nfs/dbraw/zinc/30/32/96/823303296.db2.gz BKWBKNNIEDSIKP-GOEBONIOSA-N 1 2 396.491 4.308 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N(Cc1ccccc1)CC1CCC1 ZINC000057482940 823302921 /nfs/dbraw/zinc/30/29/21/823302921.db2.gz BUWPIMOCTNCGRY-UHFFFAOYSA-N 1 2 388.515 4.443 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)ccc1OC(F)F ZINC000007977084 817972666 /nfs/dbraw/zinc/97/26/66/817972666.db2.gz NQBZEVKXPLTLDP-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)ccc1OC(F)F ZINC000007977084 817972673 /nfs/dbraw/zinc/97/26/73/817972673.db2.gz NQBZEVKXPLTLDP-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO Cc1ccccc1CNC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000008001181 817978634 /nfs/dbraw/zinc/97/86/34/817978634.db2.gz JMURLNJGQVVANA-NRFANRHFSA-N 1 2 382.554 4.382 20 0 GIADLO Cc1ccccc1CNC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000008001181 817978638 /nfs/dbraw/zinc/97/86/38/817978638.db2.gz JMURLNJGQVVANA-NRFANRHFSA-N 1 2 382.554 4.382 20 0 GIADLO Cc1ccc(OCCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1 ZINC000057530259 823307285 /nfs/dbraw/zinc/30/72/85/823307285.db2.gz QKEGQILDONCHBI-UHFFFAOYSA-N 1 2 394.544 4.343 20 0 GIADLO Cc1sc2nc([C@H](C)[NH+]3CCN(c4cccc(C)c4C)CC3)nc(N)c2c1C ZINC000011049556 818048289 /nfs/dbraw/zinc/04/82/89/818048289.db2.gz LBWBEBOREUHMCG-INIZCTEOSA-N 1 2 395.576 4.390 20 0 GIADLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)c1C ZINC000176850584 823309379 /nfs/dbraw/zinc/30/93/79/823309379.db2.gz VYYJOIBEPGSGOH-UHFFFAOYSA-N 1 2 385.533 4.148 20 0 GIADLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)c1C ZINC000176850584 823309385 /nfs/dbraw/zinc/30/93/85/823309385.db2.gz VYYJOIBEPGSGOH-UHFFFAOYSA-N 1 2 385.533 4.148 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)N(C)CCCOC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572267699 823310435 /nfs/dbraw/zinc/31/04/35/823310435.db2.gz UTTHMERRROHWQJ-OALUTQOASA-N 1 2 399.938 4.071 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)N(C)CCCOC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572267699 823310440 /nfs/dbraw/zinc/31/04/40/823310440.db2.gz UTTHMERRROHWQJ-OALUTQOASA-N 1 2 399.938 4.071 20 0 GIADLO COc1cccc(Cn2c3ccccc3[nH+]c2NCc2cnc(C3CC3)s2)c1 ZINC000572269673 823310700 /nfs/dbraw/zinc/31/07/00/823310700.db2.gz FZAUALCXBZUGQJ-UHFFFAOYSA-N 1 2 390.512 4.461 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1C ZINC000057612909 823314862 /nfs/dbraw/zinc/31/48/62/823314862.db2.gz QEVKJLZJYWCRCW-CQSZACIVSA-N 1 2 393.434 4.211 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(CC(C)C)CC(F)(F)F)s1 ZINC000122142743 823312183 /nfs/dbraw/zinc/31/21/83/823312183.db2.gz PEKIPXRNRFTSBX-ZDUSSCGKSA-N 1 2 379.492 4.054 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(CC(C)C)CC(F)(F)F)s1 ZINC000122142743 823312190 /nfs/dbraw/zinc/31/21/90/823312190.db2.gz PEKIPXRNRFTSBX-ZDUSSCGKSA-N 1 2 379.492 4.054 20 0 GIADLO COc1cccc(/C(C)=C/C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000176867151 823313032 /nfs/dbraw/zinc/31/30/32/823313032.db2.gz PVYDQIXMPOOZDT-SAPNQHFASA-N 1 2 377.444 4.013 20 0 GIADLO COCc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000011765612 818118218 /nfs/dbraw/zinc/11/82/18/818118218.db2.gz DWPAWXKZSMAVRX-UHFFFAOYSA-N 1 2 393.512 4.100 20 0 GIADLO COCc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000011765612 818118222 /nfs/dbraw/zinc/11/82/22/818118222.db2.gz DWPAWXKZSMAVRX-UHFFFAOYSA-N 1 2 393.512 4.100 20 0 GIADLO C[C@@H](CNC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21)Cn1cc[nH+]c1 ZINC000176896649 823319863 /nfs/dbraw/zinc/31/98/63/823319863.db2.gz GBFOVGKUJNQWMC-KBPBESRZSA-N 1 2 388.924 4.018 20 0 GIADLO O=C(c1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1)N1CCCCC1 ZINC000013779643 818215718 /nfs/dbraw/zinc/21/57/18/818215718.db2.gz UFYHYCWQQXNJFF-UHFFFAOYSA-N 1 2 397.950 4.288 20 0 GIADLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000014325353 818235055 /nfs/dbraw/zinc/23/50/55/818235055.db2.gz PDBXQGAXUYIKFF-KRWDZBQOSA-N 1 2 394.515 4.180 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](CC(=O)N(c3ccccc3)C(C)C)CC2)cc1 ZINC000014324974 818235243 /nfs/dbraw/zinc/23/52/43/818235243.db2.gz JQMFAUTXJHXSKT-UHFFFAOYSA-N 1 2 394.515 4.032 20 0 GIADLO COc1ccc2c(CC(=O)Nc3nc(C[NH+]4CCC(C)CC4)cs3)coc2c1 ZINC000014628422 818254699 /nfs/dbraw/zinc/25/46/99/818254699.db2.gz KTNZZVDUUSCJMQ-UHFFFAOYSA-N 1 2 399.516 4.311 20 0 GIADLO CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000014809228 818269447 /nfs/dbraw/zinc/26/94/47/818269447.db2.gz MCDADELRJVPGHK-QGZVFWFLSA-N 1 2 380.488 4.007 20 0 GIADLO Cc1noc(C[NH2+][C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)n1 ZINC000122200842 823320950 /nfs/dbraw/zinc/32/09/50/823320950.db2.gz KNSKHCWFQQPHIK-VIFPVBQESA-N 1 2 393.310 4.423 20 0 GIADLO COc1cc(-c2noc(C[N@H+](C)Cc3sccc3C)n2)ccc1OC(F)F ZINC000015311944 818311974 /nfs/dbraw/zinc/31/19/74/818311974.db2.gz BWDNAPMDGRRFIY-UHFFFAOYSA-N 1 2 395.431 4.349 20 0 GIADLO COc1cc(-c2noc(C[N@@H+](C)Cc3sccc3C)n2)ccc1OC(F)F ZINC000015311944 818311983 /nfs/dbraw/zinc/31/19/83/818311983.db2.gz BWDNAPMDGRRFIY-UHFFFAOYSA-N 1 2 395.431 4.349 20 0 GIADLO C[C@@H](Nc1cnn(CC[NH+]2CCOCC2)c1)c1cccc(-c2ccccc2)c1 ZINC000572390479 823331895 /nfs/dbraw/zinc/33/18/95/823331895.db2.gz JBTNLERVJQFDSM-LJQANCHMSA-N 1 2 376.504 4.055 20 0 GIADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015452159 818327020 /nfs/dbraw/zinc/32/70/20/818327020.db2.gz XBVYNMPSHCMNLR-HNAYVOBHSA-N 1 2 377.513 4.411 20 0 GIADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015452159 818327027 /nfs/dbraw/zinc/32/70/27/818327027.db2.gz XBVYNMPSHCMNLR-HNAYVOBHSA-N 1 2 377.513 4.411 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000015547818 818337280 /nfs/dbraw/zinc/33/72/80/818337280.db2.gz MCESMYZENMBWDT-LBPRGKRZSA-N 1 2 379.323 4.377 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000015547818 818337286 /nfs/dbraw/zinc/33/72/86/818337286.db2.gz MCESMYZENMBWDT-LBPRGKRZSA-N 1 2 379.323 4.377 20 0 GIADLO CC(C)c1nc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cs1 ZINC000122300150 823334634 /nfs/dbraw/zinc/33/46/34/823334634.db2.gz UKCKXPFQTMSBHG-UHFFFAOYSA-N 1 2 378.929 4.166 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)CC2CC(c3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000409880804 823334823 /nfs/dbraw/zinc/33/48/23/823334823.db2.gz SQFFLDKKFWMSFM-XGZPXUMOSA-N 1 2 384.470 4.410 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)CC2CC(c3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000409880804 823334831 /nfs/dbraw/zinc/33/48/31/823334831.db2.gz SQFFLDKKFWMSFM-XGZPXUMOSA-N 1 2 384.470 4.410 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C2(Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000176959808 823335094 /nfs/dbraw/zinc/33/50/94/823335094.db2.gz OPLKPQNLFVBNES-RTBURBONSA-N 1 2 378.516 4.257 20 0 GIADLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc(Cl)s1 ZINC000016341571 818426860 /nfs/dbraw/zinc/42/68/60/818426860.db2.gz RSNHAFNVLTWFCK-UHFFFAOYSA-N 1 2 380.897 4.023 20 0 GIADLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc(Cl)s1 ZINC000016341571 818426864 /nfs/dbraw/zinc/42/68/64/818426864.db2.gz RSNHAFNVLTWFCK-UHFFFAOYSA-N 1 2 380.897 4.023 20 0 GIADLO C[N@H+](Cc1csc(-c2cccs2)n1)Cc1ccccc1N1CCOCC1 ZINC000016424502 818441294 /nfs/dbraw/zinc/44/12/94/818441294.db2.gz PJJGARQKDAAKMH-UHFFFAOYSA-N 1 2 385.558 4.340 20 0 GIADLO C[N@@H+](Cc1csc(-c2cccs2)n1)Cc1ccccc1N1CCOCC1 ZINC000016424502 818441300 /nfs/dbraw/zinc/44/13/00/818441300.db2.gz PJJGARQKDAAKMH-UHFFFAOYSA-N 1 2 385.558 4.340 20 0 GIADLO O=C(CCc1c[nH]c[nH+]1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000188975527 823336838 /nfs/dbraw/zinc/33/68/38/823336838.db2.gz UQAORWBMOBPJQL-UHFFFAOYSA-N 1 2 381.288 4.335 20 0 GIADLO O=C(CCc1c[nH+]c[nH]1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000188975527 823336845 /nfs/dbraw/zinc/33/68/45/823336845.db2.gz UQAORWBMOBPJQL-UHFFFAOYSA-N 1 2 381.288 4.335 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)Nc3cccc(C)c3C)CCCC2)no1 ZINC000122326867 823338533 /nfs/dbraw/zinc/33/85/33/823338533.db2.gz YINDDALZGYXVKY-UHFFFAOYSA-N 1 2 385.512 4.119 20 0 GIADLO O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2c1)N1CCn2c[nH+]cc2C1 ZINC000460282483 823339146 /nfs/dbraw/zinc/33/91/46/823339146.db2.gz QDSCQUHRLFETOS-QHCPKHFHSA-N 1 2 382.467 4.351 20 0 GIADLO O=C(COc1ccc(F)cc1Cl)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000572447125 823341081 /nfs/dbraw/zinc/34/10/81/823341081.db2.gz YWMHNIKMZREURP-UHFFFAOYSA-N 1 2 394.233 4.013 20 0 GIADLO CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc3[nH+]c(C)cn3c1)O[C@H](C)C2 ZINC000409906207 823341267 /nfs/dbraw/zinc/34/12/67/823341267.db2.gz DNZSKIPMABBVOT-LJHODMEESA-N 1 2 391.471 4.107 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccccc1OC(F)(F)F ZINC000122347390 823341857 /nfs/dbraw/zinc/34/18/57/823341857.db2.gz PEXBNCBUTIFHKC-UHFFFAOYSA-N 1 2 394.397 4.292 20 0 GIADLO O=C(Nc1ccc(F)cc1F)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000017744390 818526746 /nfs/dbraw/zinc/52/67/46/818526746.db2.gz WIVJTNFLLWJUHS-UHFFFAOYSA-N 1 2 399.363 4.333 20 0 GIADLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000020543259 818624745 /nfs/dbraw/zinc/62/47/45/818624745.db2.gz SZGJOGQDMRGRLZ-UHFFFAOYSA-N 1 2 394.302 4.352 20 0 GIADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1Cl ZINC000020944782 818642670 /nfs/dbraw/zinc/64/26/70/818642670.db2.gz LUMOJPHYARUQDB-GOSISDBHSA-N 1 2 389.879 4.020 20 0 GIADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1Cl ZINC000020944782 818642673 /nfs/dbraw/zinc/64/26/73/818642673.db2.gz LUMOJPHYARUQDB-GOSISDBHSA-N 1 2 389.879 4.020 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000189079192 823353718 /nfs/dbraw/zinc/35/37/18/823353718.db2.gz ZOKKLAJSHWXESF-BONVTDFDSA-N 1 2 399.239 4.039 20 0 GIADLO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc3c4ccccc4n(C)c3s2)C[C@H](C)O1 ZINC000021048887 818650040 /nfs/dbraw/zinc/65/00/40/818650040.db2.gz HQGPWEVSIKCFMN-GJZGRUSLSA-N 1 2 399.560 4.011 20 0 GIADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc3c4ccccc4n(C)c3s2)C[C@@H](C)O1 ZINC000021048874 818650156 /nfs/dbraw/zinc/65/01/56/818650156.db2.gz HQGPWEVSIKCFMN-HUUCEWRRSA-N 1 2 399.560 4.011 20 0 GIADLO CC1(C)C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@H]1[C@@H]1CCCO1 ZINC000572529975 823354886 /nfs/dbraw/zinc/35/48/86/823354886.db2.gz BSVXTHHLGBRDHI-IRXDYDNUSA-N 1 2 391.309 4.494 20 0 GIADLO CC1(C)C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@H]1[C@@H]1CCCO1 ZINC000572529975 823354890 /nfs/dbraw/zinc/35/48/90/823354890.db2.gz BSVXTHHLGBRDHI-IRXDYDNUSA-N 1 2 391.309 4.494 20 0 GIADLO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc2[nH+]ccn21 ZINC000460337829 823357788 /nfs/dbraw/zinc/35/77/88/823357788.db2.gz ZRTMHDWHCOBTRF-UHFFFAOYSA-N 1 2 379.851 4.102 20 0 GIADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000460347939 823360396 /nfs/dbraw/zinc/36/03/96/823360396.db2.gz DYDVKIOHYBMTTD-UWJYYQICSA-N 1 2 386.561 4.236 20 0 GIADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000460347939 823360404 /nfs/dbraw/zinc/36/04/04/823360404.db2.gz DYDVKIOHYBMTTD-UWJYYQICSA-N 1 2 386.561 4.236 20 0 GIADLO CC(C)[C@@H](NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccccc1 ZINC000022063562 818769075 /nfs/dbraw/zinc/76/90/75/818769075.db2.gz BUCYRFHTYOHMAQ-SIKLNZKXSA-N 1 2 386.561 4.243 20 0 GIADLO CC(C)[C@@H](NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccccc1 ZINC000022063562 818769080 /nfs/dbraw/zinc/76/90/80/818769080.db2.gz BUCYRFHTYOHMAQ-SIKLNZKXSA-N 1 2 386.561 4.243 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)COc3ccccc3Cl)n2)CC1 ZINC000022291516 818790692 /nfs/dbraw/zinc/79/06/92/818790692.db2.gz QVBUDDVERFVUSY-UHFFFAOYSA-N 1 2 379.913 4.046 20 0 GIADLO Cc1cccn2cc(CC(=O)Nc3cc(F)c(F)cc3N3CCCCC3)[nH+]c12 ZINC000572575612 823364305 /nfs/dbraw/zinc/36/43/05/823364305.db2.gz JALACCILMGHGAQ-UHFFFAOYSA-N 1 2 384.430 4.092 20 0 GIADLO Cc1cc(N2CCN(C(=O)N[C@H](c3ccccc3)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000022426008 818805111 /nfs/dbraw/zinc/80/51/11/818805111.db2.gz RBMJCSZQEVQOKR-NRFANRHFSA-N 1 2 395.551 4.137 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000022432168 818806472 /nfs/dbraw/zinc/80/64/72/818806472.db2.gz KHTJRKGEUOAJPC-QHCPKHFHSA-N 1 2 393.531 4.064 20 0 GIADLO O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000189160279 823367832 /nfs/dbraw/zinc/36/78/32/823367832.db2.gz QPZXKQVODRISLG-MRXNPFEDSA-N 1 2 391.726 4.476 20 0 GIADLO Cc1cccc(NC(=O)CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1C ZINC000022783511 818860222 /nfs/dbraw/zinc/86/02/22/818860222.db2.gz LWCWIHNFJYXXLY-SFHVURJKSA-N 1 2 385.939 4.274 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022788062 818860851 /nfs/dbraw/zinc/86/08/51/818860851.db2.gz KUKXAKZQUCUTSJ-MBNRZODZSA-N 1 2 397.950 4.306 20 0 GIADLO CC(C)c1ccccc1NC(=O)[C@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022787820 818860902 /nfs/dbraw/zinc/86/09/02/818860902.db2.gz YZCWTYSHTADGLX-ZRFOIIEFSA-N 1 2 391.559 4.468 20 0 GIADLO Fc1ccc(-c2nc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)no2)c(F)c1 ZINC000189168253 823369047 /nfs/dbraw/zinc/36/90/47/823369047.db2.gz MMCQNRCNOFIRKM-IFXJQAMLSA-N 1 2 385.414 4.272 20 0 GIADLO C[C@H](c1nnc(-c2cccs2)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022802526 818862484 /nfs/dbraw/zinc/86/24/84/818862484.db2.gz FGOPOHHHGSYPDL-HFTQHKIXSA-N 1 2 380.517 4.190 20 0 GIADLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000022844673 818866520 /nfs/dbraw/zinc/86/65/20/818866520.db2.gz IRZNUIZXCSHRGB-UHFFFAOYSA-N 1 2 385.939 4.103 20 0 GIADLO Cc1ccc(C)c(NC(=O)C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000022844673 818866527 /nfs/dbraw/zinc/86/65/27/818866527.db2.gz IRZNUIZXCSHRGB-UHFFFAOYSA-N 1 2 385.939 4.103 20 0 GIADLO Cc1noc([C@@H](C)Sc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000022988265 818884978 /nfs/dbraw/zinc/88/49/78/818884978.db2.gz DZROJRYXKYXCBB-LSDHHAIUSA-N 1 2 398.536 4.359 20 0 GIADLO CCCn1nc(C)c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1C ZINC000177102970 823371764 /nfs/dbraw/zinc/37/17/64/823371764.db2.gz JHKTWGLYBYRGDA-UHFFFAOYSA-N 1 2 377.492 4.362 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1F ZINC000023186598 818905578 /nfs/dbraw/zinc/90/55/78/818905578.db2.gz LLLYJLVBNCDKNJ-SFHVURJKSA-N 1 2 380.822 4.020 20 0 GIADLO O=C(CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1F ZINC000023186598 818905585 /nfs/dbraw/zinc/90/55/85/818905585.db2.gz LLLYJLVBNCDKNJ-SFHVURJKSA-N 1 2 380.822 4.020 20 0 GIADLO Cc1cc(-c2ncccc2NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000189205755 823375673 /nfs/dbraw/zinc/37/56/73/823375673.db2.gz OWDZZBWQQUFRCP-KBXCAEBGSA-N 1 2 381.505 4.430 20 0 GIADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000058297579 823376123 /nfs/dbraw/zinc/37/61/23/823376123.db2.gz KHUCABYYJRYAGR-IBGZPJMESA-N 1 2 399.498 4.171 20 0 GIADLO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000122589325 823377578 /nfs/dbraw/zinc/37/75/78/823377578.db2.gz NLTZPSUDUOKZON-UYAOXDASSA-N 1 2 378.520 4.078 20 0 GIADLO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000122589159 823377647 /nfs/dbraw/zinc/37/76/47/823377647.db2.gz NLTZPSUDUOKZON-ICSRJNTNSA-N 1 2 378.520 4.078 20 0 GIADLO CCCc1sc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1CC ZINC000023955449 818997421 /nfs/dbraw/zinc/99/74/21/818997421.db2.gz RNZLDZFSSFMYRT-UHFFFAOYSA-N 1 2 386.561 4.025 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3ncccc3c2)C[C@H](C)O1 ZINC000122608285 823380821 /nfs/dbraw/zinc/38/08/21/823380821.db2.gz ROKDVUFBOWQZRB-IRXDYDNUSA-N 1 2 375.472 4.096 20 0 GIADLO CC(C)(C)OC(=O)Nc1ccncc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000189246266 823381103 /nfs/dbraw/zinc/38/11/03/823381103.db2.gz HSYFCOYOIKUZOQ-UHFFFAOYSA-N 1 2 379.420 4.071 20 0 GIADLO Cc1cc(N2CCC(N(C)C(=O)c3ccc(C(C)C)nc3)CC2)nc(C(C)C)[nH+]1 ZINC000122614559 823381925 /nfs/dbraw/zinc/38/19/25/823381925.db2.gz IUTXMNJIRXCIGF-UHFFFAOYSA-N 1 2 395.551 4.168 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cccc2c3c([nH]c21)CCCC3 ZINC000024437650 819056924 /nfs/dbraw/zinc/05/69/24/819056924.db2.gz LDGWMKFAZMLBGJ-UHFFFAOYSA-N 1 2 384.483 4.222 20 0 GIADLO Clc1cccc2c(N3CCN(c4ncnc5sccc54)CC3)cc[nH+]c12 ZINC000572708648 823386608 /nfs/dbraw/zinc/38/66/08/823386608.db2.gz WXVYXGGEDHPBNI-UHFFFAOYSA-N 1 2 381.892 4.220 20 0 GIADLO CC[C@H](C)[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000410085065 823386679 /nfs/dbraw/zinc/38/66/79/823386679.db2.gz SMZUKMXEARQPAZ-HRAATJIYSA-N 1 2 387.487 4.325 20 0 GIADLO Cn1c(C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)nc2ccccc21 ZINC000177197934 823396815 /nfs/dbraw/zinc/39/68/15/823396815.db2.gz BYSGWJOXZARCLU-UHFFFAOYSA-N 1 2 384.483 4.458 20 0 GIADLO Cn1c(C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)nc2ccccc21 ZINC000177197934 823396819 /nfs/dbraw/zinc/39/68/19/823396819.db2.gz BYSGWJOXZARCLU-UHFFFAOYSA-N 1 2 384.483 4.458 20 0 GIADLO Cc1ccccc1-n1ncc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C(C)C ZINC000189340192 823396881 /nfs/dbraw/zinc/39/68/81/823396881.db2.gz FFOKUWHOZZIZGU-GHTZIAJQSA-N 1 2 391.519 4.224 20 0 GIADLO COc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(OCCC(C)C)c1 ZINC000189340614 823396922 /nfs/dbraw/zinc/39/69/22/823396922.db2.gz WBTGPAQBICXNFO-FXAWDEMLSA-N 1 2 385.508 4.040 20 0 GIADLO O=C(CCc1ccoc1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000177232473 823405725 /nfs/dbraw/zinc/40/57/25/823405725.db2.gz XZCIUNNLQFUMPZ-UHFFFAOYSA-N 1 2 385.467 4.440 20 0 GIADLO C[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)Cc1csc2ccccc12 ZINC000058581889 823412447 /nfs/dbraw/zinc/41/24/47/823412447.db2.gz QSAVWNKCJIFVRQ-UHFFFAOYSA-N 1 2 379.934 4.460 20 0 GIADLO C[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)Cc1csc2ccccc12 ZINC000058581889 823412450 /nfs/dbraw/zinc/41/24/50/823412450.db2.gz QSAVWNKCJIFVRQ-UHFFFAOYSA-N 1 2 379.934 4.460 20 0 GIADLO CC(C)[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000410189432 823414603 /nfs/dbraw/zinc/41/46/03/823414603.db2.gz GXWMDLAQRHECDJ-NRFANRHFSA-N 1 2 380.467 4.267 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(N3CCCCC3)c2)c1C ZINC000058642264 823422587 /nfs/dbraw/zinc/42/25/87/823422587.db2.gz DXHOXOMJEZMKAQ-UHFFFAOYSA-N 1 2 382.508 4.361 20 0 GIADLO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000573015510 823434358 /nfs/dbraw/zinc/43/43/58/823434358.db2.gz IAPLFODPKDLPMT-UHFFFAOYSA-N 1 2 390.230 4.331 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000177326983 823434749 /nfs/dbraw/zinc/43/47/49/823434749.db2.gz YFTAAIIWJYBCPQ-UHFFFAOYSA-N 1 2 395.507 4.224 20 0 GIADLO COc1cccc(OC)c1OCCCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000573011946 823433426 /nfs/dbraw/zinc/43/34/26/823433426.db2.gz UCDPQOXNEOADKF-OAQYLSRUSA-N 1 2 389.467 4.075 20 0 GIADLO COc1cccc(OC)c1OCCCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000573011946 823433429 /nfs/dbraw/zinc/43/34/29/823433429.db2.gz UCDPQOXNEOADKF-OAQYLSRUSA-N 1 2 389.467 4.075 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCCC(F)(F)C3)c2C1 ZINC000410248888 823433623 /nfs/dbraw/zinc/43/36/23/823433623.db2.gz LEBPFTLLQZQMDI-OAHLLOKOSA-N 1 2 387.474 4.168 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCCC(F)(F)C3)c2C1 ZINC000410248888 823433629 /nfs/dbraw/zinc/43/36/29/823433629.db2.gz LEBPFTLLQZQMDI-OAHLLOKOSA-N 1 2 387.474 4.168 20 0 GIADLO Cc1cccc(C)c1OCCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410250666 823434141 /nfs/dbraw/zinc/43/41/41/823434141.db2.gz GIIGUSVQMDENOX-LJQANCHMSA-N 1 2 381.520 4.011 20 0 GIADLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024752243 819873163 /nfs/dbraw/zinc/87/31/63/819873163.db2.gz JQXQAPSGJHKLFL-COPCDDAFSA-N 1 2 383.536 4.025 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1Cc1ccccc1 ZINC000024751398 819873410 /nfs/dbraw/zinc/87/34/10/819873410.db2.gz FGPUOMQEHQZKHD-UHFFFAOYSA-N 1 2 381.479 4.452 20 0 GIADLO CCCCOc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410253590 823435412 /nfs/dbraw/zinc/43/54/12/823435412.db2.gz CVDVKXFLAKDVRB-LJQANCHMSA-N 1 2 381.520 4.418 20 0 GIADLO O=C(CCSc1ccccc1F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410253940 823435478 /nfs/dbraw/zinc/43/54/78/823435478.db2.gz RVXZBZWWRVOMJO-MRXNPFEDSA-N 1 2 387.524 4.247 20 0 GIADLO CC[C@H](Oc1ccccc1C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410256119 823436110 /nfs/dbraw/zinc/43/61/10/823436110.db2.gz LNFPMOHCNQXBOS-QUCCMNQESA-N 1 2 381.520 4.091 20 0 GIADLO CC(C)COc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410256654 823436408 /nfs/dbraw/zinc/43/64/08/823436408.db2.gz NOVBAMFGEPNOQZ-IBGZPJMESA-N 1 2 381.520 4.274 20 0 GIADLO C[C@H](CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Cc1cccc(F)c1 ZINC000410265660 823440487 /nfs/dbraw/zinc/44/04/87/823440487.db2.gz OAMGHPVIZWKFIU-HKUYNNGSSA-N 1 2 383.511 4.333 20 0 GIADLO Cc1ccc(OCCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000410257902 823437195 /nfs/dbraw/zinc/43/71/95/823437195.db2.gz OTEKOPCSSKQJGJ-LJQANCHMSA-N 1 2 381.520 4.011 20 0 GIADLO CC(C)[C@H](NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000025056292 819916532 /nfs/dbraw/zinc/91/65/32/819916532.db2.gz MBOMNGREBMFLBC-QHCPKHFHSA-N 1 2 378.516 4.095 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)C2CC2)cc1 ZINC000025057219 819917128 /nfs/dbraw/zinc/91/71/28/819917128.db2.gz LDVCSBNLYOJPSL-XMMPIXPASA-N 1 2 390.527 4.157 20 0 GIADLO O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000025081402 819922171 /nfs/dbraw/zinc/92/21/71/819922171.db2.gz GQIRUUPEDKYKLC-UHFFFAOYSA-N 1 2 394.906 4.078 20 0 GIADLO O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000025081402 819922177 /nfs/dbraw/zinc/92/21/77/819922177.db2.gz GQIRUUPEDKYKLC-UHFFFAOYSA-N 1 2 394.906 4.078 20 0 GIADLO COCCc1ccccc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000189530336 823438297 /nfs/dbraw/zinc/43/82/97/823438297.db2.gz JOBLEQLPDXYGJK-VXKWHMMOSA-N 1 2 390.487 4.122 20 0 GIADLO O=C(c1ccc(SC2CC2)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410267015 823441091 /nfs/dbraw/zinc/44/10/91/823441091.db2.gz FHWXVMWCEOLFLX-KRWDZBQOSA-N 1 2 381.545 4.494 20 0 GIADLO CC[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccc(OC)c(OC)c1 ZINC000025358098 819969274 /nfs/dbraw/zinc/96/92/74/819969274.db2.gz VVPKGBRVMDICOI-UHFFFAOYSA-N 1 2 387.867 4.429 20 0 GIADLO CC[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccc(OC)c(OC)c1 ZINC000025358098 819969279 /nfs/dbraw/zinc/96/92/79/819969279.db2.gz VVPKGBRVMDICOI-UHFFFAOYSA-N 1 2 387.867 4.429 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000025416015 819977058 /nfs/dbraw/zinc/97/70/58/819977058.db2.gz RFIQNZPKPMRLLM-JOCHJYFZSA-N 1 2 395.890 4.370 20 0 GIADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)Nc1ccccc1C(F)(F)F ZINC000025416741 819978011 /nfs/dbraw/zinc/97/80/11/819978011.db2.gz JNNDYXQFPLMCLH-HXUWFJFHSA-N 1 2 385.389 4.418 20 0 GIADLO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000025509546 819992679 /nfs/dbraw/zinc/99/26/79/819992679.db2.gz ZFHULZKAPYJZNW-QGZVFWFLSA-N 1 2 396.487 4.081 20 0 GIADLO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410278401 823446002 /nfs/dbraw/zinc/44/60/02/823446002.db2.gz HZVOSHHBEWDKNO-MMKMLUHNSA-N 1 2 387.568 4.299 20 0 GIADLO C[C@H]1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C[C@H]1n1cc[nH+]c1 ZINC000122999238 823446026 /nfs/dbraw/zinc/44/60/26/823446026.db2.gz ZZMCUGJPPDACTK-MAUKXSAKSA-N 1 2 398.894 4.234 20 0 GIADLO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410278403 823446093 /nfs/dbraw/zinc/44/60/93/823446093.db2.gz HZVOSHHBEWDKNO-ZSXPUABSSA-N 1 2 387.568 4.299 20 0 GIADLO CC(C)CN(C)c1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410281289 823446897 /nfs/dbraw/zinc/44/68/97/823446897.db2.gz HESXDQUQQUKQTQ-FQEVSTJZSA-N 1 2 394.563 4.331 20 0 GIADLO O=C(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281371 823447346 /nfs/dbraw/zinc/44/73/46/823447346.db2.gz ILDDVXZKPMGNQM-ZDUSSCGKSA-N 1 2 395.400 4.397 20 0 GIADLO CCc1ccc(C(C)(C)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410282848 823447636 /nfs/dbraw/zinc/44/76/36/823447636.db2.gz PNPFUVIFFVOUCI-IBGZPJMESA-N 1 2 379.548 4.466 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccnc1Br ZINC000177395361 823453149 /nfs/dbraw/zinc/45/31/49/823453149.db2.gz KQOHPQVJNGDWGZ-UHFFFAOYSA-N 1 2 397.276 4.296 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC000025947124 820042738 /nfs/dbraw/zinc/04/27/38/820042738.db2.gz GNZLZNIFHFAMMR-UHFFFAOYSA-N 1 2 391.471 4.149 20 0 GIADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000026480743 820103094 /nfs/dbraw/zinc/10/30/94/820103094.db2.gz KWSRJCQNNLHLGA-HXUWFJFHSA-N 1 2 381.472 4.396 20 0 GIADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000026480743 820103100 /nfs/dbraw/zinc/10/31/00/820103100.db2.gz KWSRJCQNNLHLGA-HXUWFJFHSA-N 1 2 381.472 4.396 20 0 GIADLO O=C(N1CC[NH+](Cc2cnc3ccccc3c2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000410299913 823455516 /nfs/dbraw/zinc/45/55/16/823455516.db2.gz LGHVNCJKBCLMNR-UHFFFAOYSA-N 1 2 389.543 4.095 20 0 GIADLO Cc1ccccc1C1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000410309975 823459460 /nfs/dbraw/zinc/45/94/60/823459460.db2.gz VJAPZEURYBBNEP-IBGZPJMESA-N 1 2 377.532 4.356 20 0 GIADLO CSc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410302677 823456601 /nfs/dbraw/zinc/45/66/01/823456601.db2.gz BZIBMSMJLCAIHR-IRXDYDNUSA-N 1 2 399.560 4.115 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1sccc1OC(F)F ZINC000410308799 823458652 /nfs/dbraw/zinc/45/86/52/823458652.db2.gz YQVGYWKRBNRJBB-UHFFFAOYSA-N 1 2 381.448 4.055 20 0 GIADLO COc1ccc(C2(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)CCCC2)cc1 ZINC000058821019 823459081 /nfs/dbraw/zinc/45/90/81/823459081.db2.gz XTSPAZJHIKIZCC-UHFFFAOYSA-N 1 2 379.435 4.471 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ncc(C(C)(C)C)o1 ZINC000177430177 823460550 /nfs/dbraw/zinc/46/05/50/823460550.db2.gz HBAOUISRSZTAPH-GJZGRUSLSA-N 1 2 385.508 4.041 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000027108714 820195033 /nfs/dbraw/zinc/19/50/33/820195033.db2.gz PQZWNSMFUNGGBE-UHFFFAOYSA-N 1 2 394.544 4.462 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000027108714 820195039 /nfs/dbraw/zinc/19/50/39/820195039.db2.gz PQZWNSMFUNGGBE-UHFFFAOYSA-N 1 2 394.544 4.462 20 0 GIADLO C[C@@H](SCc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410317614 823461442 /nfs/dbraw/zinc/46/14/42/823461442.db2.gz LOBSXKWQMABGMC-GOSISDBHSA-N 1 2 383.561 4.400 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3COc3ccc(Cl)cc3)no2)cc1 ZINC000027238189 820214248 /nfs/dbraw/zinc/21/42/48/820214248.db2.gz YNAPAVIIUQTNMA-KRWDZBQOSA-N 1 2 399.878 4.442 20 0 GIADLO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3COc3ccc(Cl)cc3)no2)cc1 ZINC000027238189 820214254 /nfs/dbraw/zinc/21/42/54/820214254.db2.gz YNAPAVIIUQTNMA-KRWDZBQOSA-N 1 2 399.878 4.442 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)C2CC2)cc1 ZINC000027273550 820217787 /nfs/dbraw/zinc/21/77/87/820217787.db2.gz TXJMGWPWWRZLEX-NZQKXSOJSA-N 1 2 398.572 4.305 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)C2CC2)cc1 ZINC000027273550 820217790 /nfs/dbraw/zinc/21/77/90/820217790.db2.gz TXJMGWPWWRZLEX-NZQKXSOJSA-N 1 2 398.572 4.305 20 0 GIADLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(F)cc1Br ZINC000027290759 820221588 /nfs/dbraw/zinc/22/15/88/820221588.db2.gz LSPBKDBSJOVSSP-UHFFFAOYSA-N 1 2 391.284 4.112 20 0 GIADLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(F)cc1Br ZINC000027290759 820221595 /nfs/dbraw/zinc/22/15/95/820221595.db2.gz LSPBKDBSJOVSSP-UHFFFAOYSA-N 1 2 391.284 4.112 20 0 GIADLO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000573187978 823462770 /nfs/dbraw/zinc/46/27/70/823462770.db2.gz NZUMLRBBYBSQGI-HNNXBMFYSA-N 1 2 399.926 4.099 20 0 GIADLO C[C@H](CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)n1cc[nH+]c1 ZINC000573210650 823466035 /nfs/dbraw/zinc/46/60/35/823466035.db2.gz QEVLEBVNPPTJHA-QMTHXVAHSA-N 1 2 379.304 4.273 20 0 GIADLO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000027673853 820273712 /nfs/dbraw/zinc/27/37/12/820273712.db2.gz NIFBKUSJPVARGG-GOSISDBHSA-N 1 2 398.890 4.025 20 0 GIADLO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000027673853 820273721 /nfs/dbraw/zinc/27/37/21/820273721.db2.gz NIFBKUSJPVARGG-GOSISDBHSA-N 1 2 398.890 4.025 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000573218748 823467136 /nfs/dbraw/zinc/46/71/36/823467136.db2.gz NPNQOBSGSAFPJC-OAHLLOKOSA-N 1 2 393.453 4.479 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000573218748 823467137 /nfs/dbraw/zinc/46/71/37/823467137.db2.gz NPNQOBSGSAFPJC-OAHLLOKOSA-N 1 2 393.453 4.479 20 0 GIADLO CC[N@H+](CCc1ccccn1)Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000058922268 823470778 /nfs/dbraw/zinc/47/07/78/823470778.db2.gz WJHJSSCKMZTWTL-UHFFFAOYSA-N 1 2 398.507 4.426 20 0 GIADLO CC[N@@H+](CCc1ccccn1)Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000058922268 823470783 /nfs/dbraw/zinc/47/07/83/823470783.db2.gz WJHJSSCKMZTWTL-UHFFFAOYSA-N 1 2 398.507 4.426 20 0 GIADLO Brc1cccc2c(N3CCn4c(nnc4C4CCCC4)C3)cc[nH+]c12 ZINC000573260637 823472204 /nfs/dbraw/zinc/47/22/04/823472204.db2.gz CLPSTKLAIUVBBR-UHFFFAOYSA-N 1 2 398.308 4.267 20 0 GIADLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(C)c3ccccc3)CC2)cc1 ZINC000058934423 823472246 /nfs/dbraw/zinc/47/22/46/823472246.db2.gz XCSNTNFSSUNZMF-UHFFFAOYSA-N 1 2 392.543 4.443 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCn3ccc4ccccc43)n2)C1 ZINC000028685213 820351205 /nfs/dbraw/zinc/35/12/05/820351205.db2.gz CQKYEUWJVGNDTN-MRXNPFEDSA-N 1 2 382.533 4.359 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCn3ccc4ccccc43)n2)C1 ZINC000028685213 820351218 /nfs/dbraw/zinc/35/12/18/820351218.db2.gz CQKYEUWJVGNDTN-MRXNPFEDSA-N 1 2 382.533 4.359 20 0 GIADLO Cc1cc(OCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1C(C)C ZINC000028694692 820351935 /nfs/dbraw/zinc/35/19/35/820351935.db2.gz HHPAJRKZXKLCEY-UHFFFAOYSA-N 1 2 377.488 4.058 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc(-n4cccc4)cc3)n2)C1 ZINC000028931438 820375155 /nfs/dbraw/zinc/37/51/55/820375155.db2.gz KVEBXSBSLYTGSU-KRWDZBQOSA-N 1 2 394.544 4.347 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc(-n4cccc4)cc3)n2)C1 ZINC000028931438 820375165 /nfs/dbraw/zinc/37/51/65/820375165.db2.gz KVEBXSBSLYTGSU-KRWDZBQOSA-N 1 2 394.544 4.347 20 0 GIADLO O=C(COc1ccccc1C(F)(F)F)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000028933622 820375449 /nfs/dbraw/zinc/37/54/49/820375449.db2.gz HRFAQQMDHXHZDT-UHFFFAOYSA-N 1 2 399.438 4.165 20 0 GIADLO O=C(Cc1ccc(-n2cccc2)cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000028933635 820375968 /nfs/dbraw/zinc/37/59/68/820375968.db2.gz XBBOPMFBTGMPHE-UHFFFAOYSA-N 1 2 380.517 4.101 20 0 GIADLO COc1ccc(C2(C(=O)N(C)Cc3[nH+]cc(C)c(OC)c3C)CCCC2)cc1 ZINC000058957646 823475984 /nfs/dbraw/zinc/47/59/84/823475984.db2.gz KDGZVBZJHPKFBN-UHFFFAOYSA-N 1 2 382.504 4.186 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCCc2nc3ccccc3s2)c1C ZINC000058958606 823476424 /nfs/dbraw/zinc/47/64/24/823476424.db2.gz UGBUYWWTAUFNAU-UHFFFAOYSA-N 1 2 383.517 4.298 20 0 GIADLO CC(C)C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000029338674 820439280 /nfs/dbraw/zinc/43/92/80/820439280.db2.gz VCARHHQIYWKCOL-QHCPKHFHSA-N 1 2 395.547 4.105 20 0 GIADLO CSc1ccc(CCCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000573325943 823480442 /nfs/dbraw/zinc/48/04/42/823480442.db2.gz YUJQTAKVJUDWJL-UHFFFAOYSA-N 1 2 383.561 4.433 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)c1nc(-c2cccnc2)no1 ZINC000123223743 823481025 /nfs/dbraw/zinc/48/10/25/823481025.db2.gz GWFPDYKTLWKCEL-RYUDHWBXSA-N 1 2 378.354 4.442 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)c1c(F)cccc1F ZINC000123230116 823482102 /nfs/dbraw/zinc/48/21/02/823482102.db2.gz KMMXPCIXNWCGPQ-MRXNPFEDSA-N 1 2 387.474 4.228 20 0 GIADLO C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4cccc(Cn5cc[nH+]c5)c4)cc3c2C1 ZINC000029667683 820495727 /nfs/dbraw/zinc/49/57/27/820495727.db2.gz JFKBXCIBGVGKLZ-KRWDZBQOSA-N 1 2 398.510 4.468 20 0 GIADLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000029733783 820508436 /nfs/dbraw/zinc/50/84/36/820508436.db2.gz KPBHSPBTKYWMGK-CQSZACIVSA-N 1 2 392.425 4.261 20 0 GIADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827411 820526489 /nfs/dbraw/zinc/52/64/89/820526489.db2.gz TXTNOBCIOVXPCW-ZIAGYGMSSA-N 1 2 385.414 4.313 20 0 GIADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827411 820526496 /nfs/dbraw/zinc/52/64/96/820526496.db2.gz TXTNOBCIOVXPCW-ZIAGYGMSSA-N 1 2 385.414 4.313 20 0 GIADLO C[C@@H]1CCN(C(=O)c2csc(-c3c(F)cccc3F)n2)C[C@@H]1n1cc[nH+]c1 ZINC000177541914 823486647 /nfs/dbraw/zinc/48/66/47/823486647.db2.gz UNUYYPFLVNVNOR-WBMJQRKESA-N 1 2 388.443 4.008 20 0 GIADLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1nc3ccc(C)cc3s1)C2 ZINC000573390205 823487021 /nfs/dbraw/zinc/48/70/21/823487021.db2.gz CREBUUPVACEKNZ-UHFFFAOYSA-N 1 2 381.501 4.000 20 0 GIADLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1nc3ccc(C)cc3s1)C2 ZINC000573390205 823487023 /nfs/dbraw/zinc/48/70/23/823487023.db2.gz CREBUUPVACEKNZ-UHFFFAOYSA-N 1 2 381.501 4.000 20 0 GIADLO COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029910569 820545807 /nfs/dbraw/zinc/54/58/07/820545807.db2.gz CJYSZXDHBXFVHP-UHFFFAOYSA-N 1 2 385.427 4.272 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(COc2ccc(F)cc2)o1 ZINC000029910721 820546140 /nfs/dbraw/zinc/54/61/40/820546140.db2.gz KKGFNHDKRPWQLL-UHFFFAOYSA-N 1 2 377.375 4.436 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000029914108 820547290 /nfs/dbraw/zinc/54/72/90/820547290.db2.gz AYJNFPHCAUAYCE-SFHVURJKSA-N 1 2 396.450 4.017 20 0 GIADLO CC(C)(C)CN1CCC[C@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1=O ZINC000460706319 823488590 /nfs/dbraw/zinc/48/85/90/823488590.db2.gz LNDMNEAGHMYCQJ-FQEVSTJZSA-N 1 2 378.520 4.051 20 0 GIADLO COc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1OCCC(C)C ZINC000123272693 823488718 /nfs/dbraw/zinc/48/87/18/823488718.db2.gz NFXGGLXGCYSZGN-PKOBYXMFSA-N 1 2 385.508 4.040 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189755477 823488727 /nfs/dbraw/zinc/48/87/27/823488727.db2.gz CPRSANWZKXJTGJ-ROUUACIJSA-N 1 2 376.863 4.140 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccncc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189755477 823488731 /nfs/dbraw/zinc/48/87/31/823488731.db2.gz CPRSANWZKXJTGJ-ROUUACIJSA-N 1 2 376.863 4.140 20 0 GIADLO CC(C)(C)c1ccc(SCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000030012740 820569053 /nfs/dbraw/zinc/56/90/53/820569053.db2.gz JAHTUTCUNKVVQZ-UHFFFAOYSA-N 1 2 383.561 4.388 20 0 GIADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NCC2(c3ccccc3)CC2)C2CC2)o1 ZINC000030152993 820579807 /nfs/dbraw/zinc/57/98/07/820579807.db2.gz HQEYQDZIVGEZQO-UWJYYQICSA-N 1 2 378.516 4.215 20 0 GIADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NCC2(c3ccccc3)CC2)C2CC2)o1 ZINC000030152993 820579812 /nfs/dbraw/zinc/57/98/12/820579812.db2.gz HQEYQDZIVGEZQO-UWJYYQICSA-N 1 2 378.516 4.215 20 0 GIADLO CC(C)c1c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cnn1-c1ccccc1 ZINC000030216579 820587723 /nfs/dbraw/zinc/58/77/23/820587723.db2.gz NDIUZONYRVUOHF-UHFFFAOYSA-N 1 2 399.498 4.171 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1occc1COc1ccccc1 ZINC000030217838 820588397 /nfs/dbraw/zinc/58/83/97/820588397.db2.gz AEZNITMPQICMNR-UHFFFAOYSA-N 1 2 387.439 4.033 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000030220357 820589169 /nfs/dbraw/zinc/58/91/69/820589169.db2.gz ZSISHVWJXPBGQQ-UHFFFAOYSA-N 1 2 397.478 4.440 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000030223987 820589978 /nfs/dbraw/zinc/58/99/78/820589978.db2.gz FSGTZWPPNKJHCO-OAHLLOKOSA-N 1 2 394.924 4.367 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000030223987 820589983 /nfs/dbraw/zinc/58/99/83/820589983.db2.gz FSGTZWPPNKJHCO-OAHLLOKOSA-N 1 2 394.924 4.367 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)N(Cc1csc(Br)c1)C1CC1 ZINC000573411105 823490103 /nfs/dbraw/zinc/49/01/03/823490103.db2.gz VVDLXHLIBYLGEC-UHFFFAOYSA-N 1 2 391.294 4.355 20 0 GIADLO COC(=O)[C@@H](c1ccsc1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000410413774 823490353 /nfs/dbraw/zinc/49/03/53/823490353.db2.gz NPSAMFQINHRWPQ-CXAGYDPISA-N 1 2 376.547 4.177 20 0 GIADLO COC(=O)[C@@H](c1ccsc1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000410413774 823490354 /nfs/dbraw/zinc/49/03/54/823490354.db2.gz NPSAMFQINHRWPQ-CXAGYDPISA-N 1 2 376.547 4.177 20 0 GIADLO CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030607978 820649548 /nfs/dbraw/zinc/64/95/48/820649548.db2.gz JNWRRLCORUNVHL-UHFFFAOYSA-N 1 2 375.350 4.043 20 0 GIADLO Cc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000123323373 823496076 /nfs/dbraw/zinc/49/60/76/823496076.db2.gz KZWMOPPGIRSZIP-IFXJQAMLSA-N 1 2 395.894 4.025 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@H](C)c3ccccc3Cl)CC2)cc1 ZINC000059424222 823496503 /nfs/dbraw/zinc/49/65/03/823496503.db2.gz RVUBZWJQMNQXOV-QGZVFWFLSA-N 1 2 398.934 4.421 20 0 GIADLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)o1)c1ccc(Cl)cc1 ZINC000030974049 820713498 /nfs/dbraw/zinc/71/34/98/820713498.db2.gz OJZHKBZYTHBVFL-VXGBXAGGSA-N 1 2 399.716 4.393 20 0 GIADLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)o1)c1ccc(Cl)cc1 ZINC000030974049 820713508 /nfs/dbraw/zinc/71/35/08/820713508.db2.gz OJZHKBZYTHBVFL-VXGBXAGGSA-N 1 2 399.716 4.393 20 0 GIADLO COc1ccccc1NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031092572 820738462 /nfs/dbraw/zinc/73/84/62/820738462.db2.gz KSPHENGMTJBLOR-QGZVFWFLSA-N 1 2 391.874 4.446 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccccc1Sc1ccccc1 ZINC000460776547 823509347 /nfs/dbraw/zinc/50/93/47/823509347.db2.gz WYDVOUOPPLUMIZ-UHFFFAOYSA-N 1 2 377.513 4.343 20 0 GIADLO C[C@H](Oc1ccccc1Cl)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000031890493 820870294 /nfs/dbraw/zinc/87/02/94/820870294.db2.gz HQXKYHQYRJEXEI-AWEZNQCLSA-N 1 2 393.940 4.434 20 0 GIADLO COCc1cccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000031894336 820870872 /nfs/dbraw/zinc/87/08/72/820870872.db2.gz RFASRGJAYHOACH-LJQANCHMSA-N 1 2 390.886 4.192 20 0 GIADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000031895681 820871477 /nfs/dbraw/zinc/87/14/77/820871477.db2.gz VRVTYTHMVPKPMG-KRWDZBQOSA-N 1 2 382.813 4.324 20 0 GIADLO CN(C)c1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031895764 820871516 /nfs/dbraw/zinc/87/15/16/820871516.db2.gz QAJWHFRLKYRCEN-IBGZPJMESA-N 1 2 389.902 4.112 20 0 GIADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc(Cl)nc1 ZINC000031895855 820872265 /nfs/dbraw/zinc/87/22/65/820872265.db2.gz SEDHXCIAUMUGDR-HNNXBMFYSA-N 1 2 382.266 4.094 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](CC(C)(C)O)C2CC2)cs1)c1cccc(C)c1C ZINC000189901278 823511701 /nfs/dbraw/zinc/51/17/01/823511701.db2.gz NKMGDGQBCCYWOC-UHFFFAOYSA-N 1 2 387.549 4.180 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](CC(C)(C)O)C2CC2)cs1)c1cccc(C)c1C ZINC000189901278 823511706 /nfs/dbraw/zinc/51/17/06/823511706.db2.gz NKMGDGQBCCYWOC-UHFFFAOYSA-N 1 2 387.549 4.180 20 0 GIADLO CCSc1ccccc1C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000032236146 820903656 /nfs/dbraw/zinc/90/36/56/820903656.db2.gz JRFAIOOICULNPR-UHFFFAOYSA-N 1 2 384.545 4.074 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccccc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000177722856 823516723 /nfs/dbraw/zinc/51/67/23/823516723.db2.gz RUPAXZISOIDOIZ-CRAIPNDOSA-N 1 2 381.505 4.045 20 0 GIADLO COc1cc(C[N@H+](C)CN2c3cccc4cccc(c34)C2=O)ccc1OC(F)F ZINC000032506767 820962003 /nfs/dbraw/zinc/96/20/03/820962003.db2.gz JJGXYFGCLMLTHR-UHFFFAOYSA-N 1 2 398.409 4.500 20 0 GIADLO COc1cc(C[N@@H+](C)CN2c3cccc4cccc(c34)C2=O)ccc1OC(F)F ZINC000032506767 820962009 /nfs/dbraw/zinc/96/20/09/820962009.db2.gz JJGXYFGCLMLTHR-UHFFFAOYSA-N 1 2 398.409 4.500 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)Cc1cccc(F)c1 ZINC000032510791 820963039 /nfs/dbraw/zinc/96/30/39/820963039.db2.gz AXHNTYMYORNCBF-GOSISDBHSA-N 1 2 397.475 4.290 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)Cc1cccc(F)c1 ZINC000032510791 820963042 /nfs/dbraw/zinc/96/30/42/820963042.db2.gz AXHNTYMYORNCBF-GOSISDBHSA-N 1 2 397.475 4.290 20 0 GIADLO Cc1cccn2cc(CC(=O)NCCOc3ccccc3-c3ccccc3)[nH+]c12 ZINC000060359000 823519438 /nfs/dbraw/zinc/51/94/38/823519438.db2.gz YEZMEGLECKETLX-UHFFFAOYSA-N 1 2 385.467 4.047 20 0 GIADLO CC(C)[C@H](SCc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000060375635 823521279 /nfs/dbraw/zinc/52/12/79/823521279.db2.gz JAFRMUIBWPUIKQ-NRFANRHFSA-N 1 2 379.529 4.447 20 0 GIADLO Brc1ccc(-c2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)nc1 ZINC000460822691 823522453 /nfs/dbraw/zinc/52/24/53/823522453.db2.gz MUBLUSRWMKUUKO-FPYGCLRLSA-N 1 2 394.232 4.250 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3cccc(OC(F)F)c3)n2)CC1 ZINC000036652248 821074223 /nfs/dbraw/zinc/07/42/23/821074223.db2.gz HQKBYRCZXVCLME-UHFFFAOYSA-N 1 2 381.448 4.229 20 0 GIADLO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000036685040 821076027 /nfs/dbraw/zinc/07/60/27/821076027.db2.gz KMQGNERJAQBDSH-KRWDZBQOSA-N 1 2 398.890 4.025 20 0 GIADLO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000036685040 821076035 /nfs/dbraw/zinc/07/60/35/821076035.db2.gz KMQGNERJAQBDSH-KRWDZBQOSA-N 1 2 398.890 4.025 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)c1oc2ccccc2c1COc1ccccc1 ZINC000060408250 823524326 /nfs/dbraw/zinc/52/43/26/823524326.db2.gz VNGXUUUJBWDCOI-UHFFFAOYSA-N 1 2 389.455 4.419 20 0 GIADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177774771 823524332 /nfs/dbraw/zinc/52/43/32/823524332.db2.gz DKTHQIGACSJJRR-UHFFFAOYSA-N 1 2 377.275 4.373 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc3ccccc3cc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000123668897 823530445 /nfs/dbraw/zinc/53/04/45/823530445.db2.gz GXPAIYYLDYNPAW-KSSFIOAISA-N 1 2 385.414 4.361 20 0 GIADLO Cc1ccc([C@H]([NH2+]Cc2nnnn2-c2c(C)cccc2C)c2ccccc2)cc1 ZINC000060464566 823531050 /nfs/dbraw/zinc/53/10/50/823531050.db2.gz HKIIFMXZKPUINJ-HSZRJFAPSA-N 1 2 383.499 4.467 20 0 GIADLO C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060482989 823533050 /nfs/dbraw/zinc/53/30/50/823533050.db2.gz OVTHHIFOFPFQAA-CQSZACIVSA-N 1 2 390.936 4.001 20 0 GIADLO CCCCC[C@@H](C)NC(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483194 823533130 /nfs/dbraw/zinc/53/31/30/823533130.db2.gz XITVYNNETYISKN-MRXNPFEDSA-N 1 2 378.944 4.320 20 0 GIADLO Cc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c2cccnc12 ZINC000060552401 823541498 /nfs/dbraw/zinc/54/14/98/823541498.db2.gz NHVWKMFRZCEAIY-UHFFFAOYSA-N 1 2 399.454 4.021 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NC2CCCCC2)cc1 ZINC000042865095 821340527 /nfs/dbraw/zinc/34/05/27/821340527.db2.gz BKEVGKQQPLEAAX-UHFFFAOYSA-N 1 2 384.524 4.216 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]3Cc3ccccc3)cn2c1 ZINC000042466027 821307779 /nfs/dbraw/zinc/30/77/79/821307779.db2.gz UEUNECXGIUBHPW-HXUWFJFHSA-N 1 2 379.529 4.110 20 0 GIADLO CC[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741306 821329392 /nfs/dbraw/zinc/32/93/92/821329392.db2.gz OIDHRWNPGNQZBU-HNNXBMFYSA-N 1 2 376.909 4.068 20 0 GIADLO CC[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741306 821329401 /nfs/dbraw/zinc/32/94/01/821329401.db2.gz OIDHRWNPGNQZBU-HNNXBMFYSA-N 1 2 376.909 4.068 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NCc1cccs1 ZINC000042839089 821336613 /nfs/dbraw/zinc/33/66/13/821336613.db2.gz BZGFYULMFWUVOT-UHFFFAOYSA-N 1 2 398.532 4.145 20 0 GIADLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000043049763 821356781 /nfs/dbraw/zinc/35/67/81/821356781.db2.gz KUUMLWVDYJZUAR-GOSISDBHSA-N 1 2 398.466 4.337 20 0 GIADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000043049760 821356982 /nfs/dbraw/zinc/35/69/82/821356982.db2.gz KUUMLWVDYJZUAR-SFHVURJKSA-N 1 2 398.466 4.337 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000043187284 821375992 /nfs/dbraw/zinc/37/59/92/821375992.db2.gz JTRGGBCAQQXKJA-UHFFFAOYSA-N 1 2 380.292 4.133 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)c(Cl)c1 ZINC000180635860 821377585 /nfs/dbraw/zinc/37/75/85/821377585.db2.gz NRPFXATYYBUVHG-HOTGVXAUSA-N 1 2 389.931 4.027 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)c(Cl)c1 ZINC000180635860 821377595 /nfs/dbraw/zinc/37/75/95/821377595.db2.gz NRPFXATYYBUVHG-HOTGVXAUSA-N 1 2 389.931 4.027 20 0 GIADLO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H](c1nccn1C)c1ccccc1Cl ZINC000180657346 821385177 /nfs/dbraw/zinc/38/51/77/821385177.db2.gz PTTURYYHFORYSX-SKDZVZGDSA-N 1 2 375.925 4.326 20 0 GIADLO Cc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(Br)c1 ZINC000043328301 821392209 /nfs/dbraw/zinc/39/22/09/821392209.db2.gz CODKXBRQQMRFLZ-UHFFFAOYSA-N 1 2 399.292 4.324 20 0 GIADLO O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180711472 821410767 /nfs/dbraw/zinc/41/07/67/821410767.db2.gz ULSCAGYQGRJRJG-QZTJIDSGSA-N 1 2 392.425 4.227 20 0 GIADLO O=C(NCCc1cccc2cccnc21)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043499901 821419378 /nfs/dbraw/zinc/41/93/78/821419378.db2.gz YRIFTQNPPBIPAG-UHFFFAOYSA-N 1 2 395.532 4.041 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000043527949 821422435 /nfs/dbraw/zinc/42/24/35/821422435.db2.gz YHPMFVCDPBBWOG-UHFFFAOYSA-N 1 2 391.878 4.055 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000043553037 821427392 /nfs/dbraw/zinc/42/73/92/821427392.db2.gz ORDUMUAHHNFZMQ-UHFFFAOYSA-N 1 2 377.473 4.372 20 0 GIADLO COc1cccc2[nH]cc(CC(=O)Nc3nc(C[N@@H+]4CCC[C@H](C)C4)cs3)c21 ZINC000180875185 821506745 /nfs/dbraw/zinc/50/67/45/821506745.db2.gz PECUAKGIACAPLT-AWEZNQCLSA-N 1 2 398.532 4.046 20 0 GIADLO COc1cccc2[nH]cc(CC(=O)Nc3nc(C[N@H+]4CCC[C@H](C)C4)cs3)c21 ZINC000180875185 821506755 /nfs/dbraw/zinc/50/67/55/821506755.db2.gz PECUAKGIACAPLT-AWEZNQCLSA-N 1 2 398.532 4.046 20 0 GIADLO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000180961985 821558401 /nfs/dbraw/zinc/55/84/01/821558401.db2.gz HQMJCQYJIXAFGH-UHFFFAOYSA-N 1 2 380.467 4.013 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000044397333 821583816 /nfs/dbraw/zinc/58/38/16/821583816.db2.gz RKKXABGSASMUPU-MSOLQXFVSA-N 1 2 398.469 4.098 20 0 GIADLO N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181038972 821606338 /nfs/dbraw/zinc/60/63/38/821606338.db2.gz JVCGNAQUKSSEAP-OAHLLOKOSA-N 1 2 399.237 4.140 20 0 GIADLO COc1ccc(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1OC ZINC000044568299 821610187 /nfs/dbraw/zinc/61/01/87/821610187.db2.gz XEJIAZUYNWQTJR-UHFFFAOYSA-N 1 2 391.471 4.085 20 0 GIADLO COc1ccc(C)cc1CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044567753 821610208 /nfs/dbraw/zinc/61/02/08/821610208.db2.gz RLVWSYGDKPKYSX-UHFFFAOYSA-N 1 2 375.472 4.385 20 0 GIADLO CCOc1ccc([C@@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1OCC ZINC000044851878 821672162 /nfs/dbraw/zinc/67/21/62/821672162.db2.gz GIOBXUCYPVCJTL-QGZVFWFLSA-N 1 2 393.487 4.220 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)no2)cc1 ZINC000181179802 821680848 /nfs/dbraw/zinc/68/08/48/821680848.db2.gz FFVRYRFBTQYCHW-JXFKEZNVSA-N 1 2 379.460 4.003 20 0 GIADLO COc1ccc(CC[N@H+](Cc2nnc(C3CCC3)n2C)Cc2ccccc2)cc1 ZINC000181234297 821711056 /nfs/dbraw/zinc/71/10/56/821711056.db2.gz WGWIDNCKUWRQLS-UHFFFAOYSA-N 1 2 390.531 4.336 20 0 GIADLO COc1ccc(CC[N@@H+](Cc2nnc(C3CCC3)n2C)Cc2ccccc2)cc1 ZINC000181234297 821711062 /nfs/dbraw/zinc/71/10/62/821711062.db2.gz WGWIDNCKUWRQLS-UHFFFAOYSA-N 1 2 390.531 4.336 20 0 GIADLO c1ccc(CCc2noc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181235762 821711805 /nfs/dbraw/zinc/71/18/05/821711805.db2.gz GKUROIHZACSAPJ-PZJWPPBQSA-N 1 2 377.488 4.112 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000181237133 821713135 /nfs/dbraw/zinc/71/31/35/821713135.db2.gz MALIBMNEQRUPMK-QGZVFWFLSA-N 1 2 388.899 4.140 20 0 GIADLO Cc1ccsc1[C@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181277945 821730904 /nfs/dbraw/zinc/73/09/04/821730904.db2.gz DQVVIFBOOHARRP-NSHDSACASA-N 1 2 377.311 4.455 20 0 GIADLO Cc1ccccc1-c1noc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)n1 ZINC000181279449 821731586 /nfs/dbraw/zinc/73/15/86/821731586.db2.gz FDDKKEFAKCCHKO-CVEARBPZSA-N 1 2 392.459 4.413 20 0 GIADLO CCO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cs1 ZINC000181317570 821755339 /nfs/dbraw/zinc/75/53/39/821755339.db2.gz ABMLBDXFBHVWMU-UONOGXRCSA-N 1 2 375.494 4.048 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1cccc(N2CCOC2=O)c1 ZINC000181325504 821760239 /nfs/dbraw/zinc/76/02/39/821760239.db2.gz UEZVHQGCNGUVEY-CYBMUJFWSA-N 1 2 398.850 4.197 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1cccc(N2CCOC2=O)c1 ZINC000181327932 821762022 /nfs/dbraw/zinc/76/20/22/821762022.db2.gz RVJHZAUKXAWDFU-CYBMUJFWSA-N 1 2 398.850 4.197 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(N2CCCC2=O)cc1 ZINC000181380353 821796069 /nfs/dbraw/zinc/79/60/69/821796069.db2.gz XCAKPBPTXFLKSK-CQSZACIVSA-N 1 2 396.878 4.368 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2)no1 ZINC000181393842 821804514 /nfs/dbraw/zinc/80/45/14/821804514.db2.gz XQTQIFXZTWSDHF-HZPDHXFCSA-N 1 2 376.460 4.275 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(F)cc2OCC(F)F)c1C ZINC000181400946 821807588 /nfs/dbraw/zinc/80/75/88/821807588.db2.gz UWWUJKIALKCSNI-UHFFFAOYSA-N 1 2 397.397 4.154 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)n2)cc1 ZINC000181406325 821809037 /nfs/dbraw/zinc/80/90/37/821809037.db2.gz XNYCGZKOLQFGGR-INIZCTEOSA-N 1 2 390.487 4.277 20 0 GIADLO C[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1cccc(N2CCCC2=O)c1 ZINC000181423076 821818808 /nfs/dbraw/zinc/81/88/08/821818808.db2.gz HDMUOXULAJRTRX-HNNXBMFYSA-N 1 2 379.435 4.458 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1nc(-c2cccs2)no1 ZINC000181432134 821824161 /nfs/dbraw/zinc/82/41/61/821824161.db2.gz ALLAMGRABTVRKX-UONOGXRCSA-N 1 2 382.489 4.337 20 0 GIADLO O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000181581102 821888221 /nfs/dbraw/zinc/88/82/21/821888221.db2.gz IDQXVGBTCBJGTQ-MRXNPFEDSA-N 1 2 381.304 4.184 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000181613298 821903723 /nfs/dbraw/zinc/90/37/23/821903723.db2.gz NEUJGGCJLNGASY-CQSZACIVSA-N 1 2 375.398 4.149 20 0 GIADLO CC[C@@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccc(C)cc1 ZINC000181710454 821954282 /nfs/dbraw/zinc/95/42/82/821954282.db2.gz MFOWUGIYAQFHAF-GOSISDBHSA-N 1 2 398.507 4.157 20 0 GIADLO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)c1 ZINC000181746580 821974027 /nfs/dbraw/zinc/97/40/27/821974027.db2.gz LGYMUWFQIFIRHC-CHWSQXEVSA-N 1 2 394.874 4.024 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(F)c(Cl)c2F)C[C@H](C)O1 ZINC000181890471 822028481 /nfs/dbraw/zinc/02/84/81/822028481.db2.gz UJOSPKZSECDXHK-BETUJISGSA-N 1 2 394.849 4.480 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(F)c(Cl)c2F)C[C@H](C)O1 ZINC000181890471 822028490 /nfs/dbraw/zinc/02/84/90/822028490.db2.gz UJOSPKZSECDXHK-BETUJISGSA-N 1 2 394.849 4.480 20 0 GIADLO Cc1sc2nc(C[NH2+][C@@H](C)c3cccc(OC(F)(F)F)c3)[nH]c(=O)c2c1C ZINC000181909005 822034279 /nfs/dbraw/zinc/03/42/79/822034279.db2.gz GEQYNRLGGIIINP-JTQLQIEISA-N 1 2 397.422 4.351 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C(C)C)no2)cc1 ZINC000181973248 822049212 /nfs/dbraw/zinc/04/92/12/822049212.db2.gz BWLKHNWXOKNTEW-NRFANRHFSA-N 1 2 395.459 4.003 20 0 GIADLO CCS[C@H](C)c1noc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000181974542 822050025 /nfs/dbraw/zinc/05/00/25/822050025.db2.gz ZFXXJXAAODBMEF-FZKQIMNGSA-N 1 2 377.510 4.142 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)o1 ZINC000181976867 822050692 /nfs/dbraw/zinc/05/06/92/822050692.db2.gz GBXCMUDOWJAMAI-HSZRJFAPSA-N 1 2 393.487 4.227 20 0 GIADLO COC[C@H](Cc1ccccc1)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000182048083 822073150 /nfs/dbraw/zinc/07/31/50/822073150.db2.gz SYEVMMYISRJPRC-NRFANRHFSA-N 1 2 381.545 4.445 20 0 GIADLO COC[C@H](Cc1ccccc1)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000182048083 822073155 /nfs/dbraw/zinc/07/31/55/822073155.db2.gz SYEVMMYISRJPRC-NRFANRHFSA-N 1 2 381.545 4.445 20 0 GIADLO COC[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(F)c(F)c1 ZINC000182555905 822300291 /nfs/dbraw/zinc/30/02/91/822300291.db2.gz XVPWWDLTXAXVCL-NRFANRHFSA-N 1 2 383.442 4.117 20 0 GIADLO O=C(NCc1ccc(Cl)cc1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178056639 822303711 /nfs/dbraw/zinc/30/37/11/822303711.db2.gz FZRVOWUIAGZTLQ-PMACEKPBSA-N 1 2 380.879 4.265 20 0 GIADLO O=C(Nc1nc(C2CC2)cs1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178057064 822303783 /nfs/dbraw/zinc/30/37/83/822303783.db2.gz CNBLCRBMBQMXFE-QZTJIDSGSA-N 1 2 379.489 4.267 20 0 GIADLO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000182563403 822303921 /nfs/dbraw/zinc/30/39/21/822303921.db2.gz ZSUIUMPHVRKMCH-HXUWFJFHSA-N 1 2 392.507 4.039 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccncc1Br ZINC000178071453 822308906 /nfs/dbraw/zinc/30/89/06/822308906.db2.gz FOHVFRSCHXGIGZ-UHFFFAOYSA-N 1 2 397.276 4.296 20 0 GIADLO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000178074314 822310085 /nfs/dbraw/zinc/31/00/85/822310085.db2.gz BADVCZFQVWKKHE-INIZCTEOSA-N 1 2 389.434 4.445 20 0 GIADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cn1 ZINC000182609688 822321511 /nfs/dbraw/zinc/32/15/11/822321511.db2.gz FRWVTQYYYDRUGZ-UHFFFAOYSA-N 1 2 386.430 4.063 20 0 GIADLO COc1cc(-c2nc(C[N@@H+]3CCc4c(cccc4OC)C3)cs2)ccc1O ZINC000182674087 822347381 /nfs/dbraw/zinc/34/73/81/822347381.db2.gz FJQYKLQOCVTLAU-UHFFFAOYSA-N 1 2 382.485 4.091 20 0 GIADLO COc1cc(-c2nc(C[N@H+]3CCc4c(cccc4OC)C3)cs2)ccc1O ZINC000182674087 822347393 /nfs/dbraw/zinc/34/73/93/822347393.db2.gz FJQYKLQOCVTLAU-UHFFFAOYSA-N 1 2 382.485 4.091 20 0 GIADLO COc1ccc([C@@H]([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)c2ccco2)cc1 ZINC000453423579 822360867 /nfs/dbraw/zinc/36/08/67/822360867.db2.gz XSOHTGLROXZXFN-IVZQSRNASA-N 1 2 376.460 4.388 20 0 GIADLO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000178267815 822361132 /nfs/dbraw/zinc/36/11/32/822361132.db2.gz YWAOTIPMRKOONI-WJDWOHSUSA-N 1 2 383.801 4.346 20 0 GIADLO O=C(N[C@@H]1CCc2cc(F)ccc21)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178331422 822367831 /nfs/dbraw/zinc/36/78/31/822367831.db2.gz BCOOGSJIOIELPE-YPAWHYETSA-N 1 2 390.462 4.238 20 0 GIADLO CSc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000178331925 822368121 /nfs/dbraw/zinc/36/81/21/822368121.db2.gz CWMQHGPFUWPHJM-NHCUHLMSSA-N 1 2 392.528 4.333 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3nc(-c4ccccn4)n(C)c3=S)C2)c1 ZINC000182794496 822368569 /nfs/dbraw/zinc/36/85/69/822368569.db2.gz WZTDILDSEQSRDE-QGZVFWFLSA-N 1 2 379.533 4.077 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cn3nc(-c4ccccn4)n(C)c3=S)C2)c1 ZINC000182794496 822368570 /nfs/dbraw/zinc/36/85/70/822368570.db2.gz WZTDILDSEQSRDE-QGZVFWFLSA-N 1 2 379.533 4.077 20 0 GIADLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182825460 822373520 /nfs/dbraw/zinc/37/35/20/822373520.db2.gz UWIVFDIDEBJOGF-NEPJUHHUSA-N 1 2 397.426 4.412 20 0 GIADLO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182825460 822373524 /nfs/dbraw/zinc/37/35/24/822373524.db2.gz UWIVFDIDEBJOGF-NEPJUHHUSA-N 1 2 397.426 4.412 20 0 GIADLO CC/C(=C\C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000178464312 822381623 /nfs/dbraw/zinc/38/16/23/822381623.db2.gz DGSYSWLJSBGLCC-XSFVSMFZSA-N 1 2 375.472 4.050 20 0 GIADLO Cc1c([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)cnn1-c1ccc(F)cc1 ZINC000182873185 822383533 /nfs/dbraw/zinc/38/35/33/822383533.db2.gz YRGSDPOXYZDPGY-AWEZNQCLSA-N 1 2 377.423 4.221 20 0 GIADLO COCCOc1ccc([C@H](C)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1OC ZINC000182909715 822390873 /nfs/dbraw/zinc/39/08/73/822390873.db2.gz KDFWIAJIFXMUNU-HNNXBMFYSA-N 1 2 385.439 4.218 20 0 GIADLO CC(=O)N(c1nc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)cs1)C1CC1 ZINC000453619130 822394161 /nfs/dbraw/zinc/39/41/61/822394161.db2.gz QYBXPIVDMONMGB-FQEVSTJZSA-N 1 2 399.560 4.042 20 0 GIADLO CCC[C@H](NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)c1ccccc1 ZINC000045568205 822395909 /nfs/dbraw/zinc/39/59/09/822395909.db2.gz DAOKZVLVSNXASR-FQEVSTJZSA-N 1 2 395.551 4.281 20 0 GIADLO O=C(CC1CCC(C(F)(F)F)CC1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000182986158 822405463 /nfs/dbraw/zinc/40/54/63/822405463.db2.gz LPYJGVBDJMTUAN-UHFFFAOYSA-N 1 2 393.453 4.349 20 0 GIADLO CC[N@H+](Cc1cn(Cc2cccnc2)nn1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000182997297 822408130 /nfs/dbraw/zinc/40/81/30/822408130.db2.gz YRMMZAFNXBVRIC-HNNXBMFYSA-N 1 2 389.425 4.323 20 0 GIADLO CC[N@@H+](Cc1cn(Cc2cccnc2)nn1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000182997297 822408132 /nfs/dbraw/zinc/40/81/32/822408132.db2.gz YRMMZAFNXBVRIC-HNNXBMFYSA-N 1 2 389.425 4.323 20 0 GIADLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178790432 822410020 /nfs/dbraw/zinc/41/00/20/822410020.db2.gz YGRNXIFVFXJNHX-JWIGPWBQSA-N 1 2 386.561 4.181 20 0 GIADLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178790432 822410022 /nfs/dbraw/zinc/41/00/22/822410022.db2.gz YGRNXIFVFXJNHX-JWIGPWBQSA-N 1 2 386.561 4.181 20 0 GIADLO COc1ccc(CCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1F ZINC000045754444 822410650 /nfs/dbraw/zinc/41/06/50/822410650.db2.gz GNGRFTVGNFMMSP-UHFFFAOYSA-N 1 2 391.512 4.094 20 0 GIADLO Cc1cc([C@@H]([NH2+][C@H]2CCCS(=O)(=O)C2)c2ccccc2Cl)ccc1F ZINC000183027438 822413930 /nfs/dbraw/zinc/41/39/30/822413930.db2.gz CHSVYLJUHJKSHK-HNAYVOBHSA-N 1 2 381.900 4.044 20 0 GIADLO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000183097344 822424034 /nfs/dbraw/zinc/42/40/34/822424034.db2.gz ANOKXGPEGNFNBE-QGZVFWFLSA-N 1 2 377.492 4.037 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)c1C ZINC000179006111 822429027 /nfs/dbraw/zinc/42/90/27/822429027.db2.gz UMRDDCKRDOAHSS-UHFFFAOYSA-N 1 2 393.491 4.173 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cnc4ccc(F)cc4c3)n2)C1 ZINC000179070591 822435250 /nfs/dbraw/zinc/43/52/50/822435250.db2.gz VVZBBGLCJADSKX-CYBMUJFWSA-N 1 2 384.480 4.315 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cnc4ccc(F)cc4c3)n2)C1 ZINC000179070591 822435251 /nfs/dbraw/zinc/43/52/51/822435251.db2.gz VVZBBGLCJADSKX-CYBMUJFWSA-N 1 2 384.480 4.315 20 0 GIADLO CC[C@@H]1c2ccsc2CCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019379 822435384 /nfs/dbraw/zinc/43/53/84/822435384.db2.gz CGHGXIMKDPCVKU-LJQANCHMSA-N 1 2 380.517 4.212 20 0 GIADLO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000454226891 822440751 /nfs/dbraw/zinc/44/07/51/822440751.db2.gz LNGGNTAEZKKOMD-HXUWFJFHSA-N 1 2 382.483 4.176 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3c(F)cccc3F)n2)C1 ZINC000454247367 822443146 /nfs/dbraw/zinc/44/31/46/822443146.db2.gz NSQFIQARJIFWER-ZDUSSCGKSA-N 1 2 394.491 4.317 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3c(F)cccc3F)n2)C1 ZINC000454247367 822443147 /nfs/dbraw/zinc/44/31/47/822443147.db2.gz NSQFIQARJIFWER-ZDUSSCGKSA-N 1 2 394.491 4.317 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@]4(CCSC4)C3)n2)C1 ZINC000454265744 822446281 /nfs/dbraw/zinc/44/62/81/822446281.db2.gz AQYUBTYCAIHVIJ-KXBFYZLASA-N 1 2 394.610 4.126 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@]4(CCSC4)C3)n2)C1 ZINC000454265744 822446283 /nfs/dbraw/zinc/44/62/83/822446283.db2.gz AQYUBTYCAIHVIJ-KXBFYZLASA-N 1 2 394.610 4.126 20 0 GIADLO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ncc(Br)s2)c1 ZINC000179206338 822451066 /nfs/dbraw/zinc/45/10/66/822451066.db2.gz YMENUWFXRBGPPG-RYUDHWBXSA-N 1 2 396.354 4.285 20 0 GIADLO CN(Cc1ccco1)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000046225911 822452370 /nfs/dbraw/zinc/45/23/70/822452370.db2.gz VUAJQZFJFPGCIN-QGZVFWFLSA-N 1 2 379.863 4.051 20 0 GIADLO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3ncc(Br)s3)C2=O)cc1 ZINC000179234568 822455121 /nfs/dbraw/zinc/45/51/21/822455121.db2.gz WSMCMGVIQNFVMH-JSGCOSHPSA-N 1 2 394.338 4.060 20 0 GIADLO CCOc1ccccc1NC(=O)[C@@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccccc1 ZINC000183337817 822460729 /nfs/dbraw/zinc/46/07/29/822460729.db2.gz UJMNNXSVOMGKPM-AOMKIAJQSA-N 1 2 392.503 4.158 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cnn1C ZINC000183339407 822460813 /nfs/dbraw/zinc/46/08/13/822460813.db2.gz MMLORTRTQWOLDF-VGOFRKELSA-N 1 2 376.504 4.376 20 0 GIADLO Cc1ccc(CSCC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046341350 822463111 /nfs/dbraw/zinc/46/31/11/822463111.db2.gz DJBWFCFIDSOSCE-RTBURBONSA-N 1 2 398.572 4.476 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc(OC(F)F)c2)C[C@H](C)O1 ZINC000046341961 822463199 /nfs/dbraw/zinc/46/31/99/822463199.db2.gz OYWCKSMZUPAQTP-GASCZTMLSA-N 1 2 390.430 4.150 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc(OC(F)F)c2)C[C@H](C)O1 ZINC000046341961 822463200 /nfs/dbraw/zinc/46/32/00/822463200.db2.gz OYWCKSMZUPAQTP-GASCZTMLSA-N 1 2 390.430 4.150 20 0 GIADLO COc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c(OC)c1OC ZINC000183373149 822465232 /nfs/dbraw/zinc/46/52/32/822465232.db2.gz BNOPRWQICRYMFD-HXUWFJFHSA-N 1 2 382.435 4.126 20 0 GIADLO CCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000046395575 822469226 /nfs/dbraw/zinc/46/92/26/822469226.db2.gz LTROEBOJBBNDIE-UHFFFAOYSA-N 1 2 395.484 4.087 20 0 GIADLO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000046468017 822475844 /nfs/dbraw/zinc/47/58/44/822475844.db2.gz KAGWRAADMFBECL-GOSISDBHSA-N 1 2 385.512 4.104 20 0 GIADLO O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000179417511 822479733 /nfs/dbraw/zinc/47/97/33/822479733.db2.gz JOQAAQGBZHNBNM-UHFFFAOYSA-N 1 2 396.450 4.055 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Br)c1Cl ZINC000183490768 822484591 /nfs/dbraw/zinc/48/45/91/822484591.db2.gz QBMOYVLNWMKNJU-UHFFFAOYSA-N 1 2 390.668 4.218 20 0 GIADLO Cc1cccc([C@H](C)NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000454518501 822489644 /nfs/dbraw/zinc/48/96/44/822489644.db2.gz WCBSGCJBWLDGTE-FHWLQOOXSA-N 1 2 381.520 4.487 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000183533370 822490913 /nfs/dbraw/zinc/49/09/13/822490913.db2.gz WLYBAWVBFPTHQJ-DYVFJYSZSA-N 1 2 392.450 4.454 20 0 GIADLO CSc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000179542772 822500028 /nfs/dbraw/zinc/50/00/28/822500028.db2.gz ZGQHGPZDQLEUPP-WMZOPIPTSA-N 1 2 377.460 4.254 20 0 GIADLO CSc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000179542772 822500030 /nfs/dbraw/zinc/50/00/30/822500030.db2.gz ZGQHGPZDQLEUPP-WMZOPIPTSA-N 1 2 377.460 4.254 20 0 GIADLO C[C@@H](NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000454586700 822501566 /nfs/dbraw/zinc/50/15/66/822501566.db2.gz TXTFNNPOBKEBEV-UZLBHIALSA-N 1 2 376.460 4.463 20 0 GIADLO C[C@H]([NH2+][C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(S(C)(=O)=O)cc1 ZINC000179550516 822501773 /nfs/dbraw/zinc/50/17/73/822501773.db2.gz UCFUMQVLNAAJMN-BTYIYWSLSA-N 1 2 384.476 4.064 20 0 GIADLO C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)c1cc(F)c(F)c(F)c1 ZINC000179555848 822502777 /nfs/dbraw/zinc/50/27/77/822502777.db2.gz WAKWXZKCSZKTMW-FOPRYUNUSA-N 1 2 398.856 4.480 20 0 GIADLO C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)c1cc(F)c(F)c(F)c1 ZINC000179555848 822502779 /nfs/dbraw/zinc/50/27/79/822502779.db2.gz WAKWXZKCSZKTMW-FOPRYUNUSA-N 1 2 398.856 4.480 20 0 GIADLO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1cc(F)ccc1F ZINC000179555719 822502834 /nfs/dbraw/zinc/50/28/34/822502834.db2.gz FFKALMUIWWATGC-MRFFXTKBSA-N 1 2 380.866 4.341 20 0 GIADLO CC(C)[C@@H](CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cccnc1 ZINC000454605712 822504876 /nfs/dbraw/zinc/50/48/76/822504876.db2.gz IEXRXXLUVCQPNU-QGZVFWFLSA-N 1 2 397.910 4.160 20 0 GIADLO Cc1cccc(C[NH+]2CCN(C(=O)c3occc3COc3ccccc3)CC2)c1 ZINC000046735518 822511421 /nfs/dbraw/zinc/51/14/21/822511421.db2.gz WORLNNQTPSAXPK-UHFFFAOYSA-N 1 2 390.483 4.125 20 0 GIADLO CCc1nn(C)c(CC)c1C[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179606018 822511651 /nfs/dbraw/zinc/51/16/51/822511651.db2.gz LUIKXDBUBURWJF-UHFFFAOYSA-N 1 2 396.457 4.024 20 0 GIADLO CCc1nn(C)c(CC)c1C[N@@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179606018 822511653 /nfs/dbraw/zinc/51/16/53/822511653.db2.gz LUIKXDBUBURWJF-UHFFFAOYSA-N 1 2 396.457 4.024 20 0 GIADLO COc1cc(C)c([C@H](C)[NH2+]Cc2nc(-c3ccc(F)c(F)c3)no2)cc1OC ZINC000179620976 822514395 /nfs/dbraw/zinc/51/43/95/822514395.db2.gz GJYARCUADNLQQZ-LBPRGKRZSA-N 1 2 389.402 4.191 20 0 GIADLO CSCC1CCC(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000454736679 822525325 /nfs/dbraw/zinc/52/53/25/822525325.db2.gz JJYQCRDUYVPZOE-MUYFXNHWSA-N 1 2 391.581 4.123 20 0 GIADLO C[C@H](c1cccc(NC(=O)NC[C@@H]2CCCCC2(F)F)c1)[NH+]1CCOCC1 ZINC000454749142 822527795 /nfs/dbraw/zinc/52/77/95/822527795.db2.gz USQGWLALROIKMK-WBVHZDCISA-N 1 2 381.467 4.027 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000046920374 822530968 /nfs/dbraw/zinc/53/09/68/822530968.db2.gz XTWOUTYHHLDZKF-OAQYLSRUSA-N 1 2 378.451 4.117 20 0 GIADLO O=C(NCCc1ccc2ccccc2c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046921356 822531012 /nfs/dbraw/zinc/53/10/12/822531012.db2.gz ZJUOUNQIXAHPLI-UHFFFAOYSA-N 1 2 384.483 4.127 20 0 GIADLO CCOc1ccc(OC)cc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000183834000 822533691 /nfs/dbraw/zinc/53/36/91/822533691.db2.gz HBGAPLUWLNKHHE-OAHLLOKOSA-N 1 2 389.521 4.066 20 0 GIADLO Fc1ccc(C[C@H]([NH2+]Cc2nnc3n2CCCC3)c2ccccc2Cl)cc1 ZINC000183850673 822535923 /nfs/dbraw/zinc/53/59/23/822535923.db2.gz CRVBMDWSHHCMNI-IBGZPJMESA-N 1 2 384.886 4.481 20 0 GIADLO CC[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1OC(F)F ZINC000179725588 822535983 /nfs/dbraw/zinc/53/59/83/822535983.db2.gz YOSVKYNZAXJOHU-PKOBYXMFSA-N 1 2 392.421 4.488 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2OC(F)F)CC1 ZINC000183923612 822547450 /nfs/dbraw/zinc/54/74/50/822547450.db2.gz YMWKBFCDLNODQG-LBPRGKRZSA-N 1 2 399.438 4.399 20 0 GIADLO CC[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1cc(F)ccc1F ZINC000179804478 822556247 /nfs/dbraw/zinc/55/62/47/822556247.db2.gz VRESHPRYSYPGOG-SFHVURJKSA-N 1 2 387.455 4.428 20 0 GIADLO Cc1nc(N2CCN(C(=O)Nc3ccc(SC(C)(C)C)cc3)CC2)cc[nH+]1 ZINC000183991548 822559578 /nfs/dbraw/zinc/55/95/78/822559578.db2.gz JBTFKGAGOPVRTF-UHFFFAOYSA-N 1 2 385.537 4.030 20 0 GIADLO Cn1cc(-c2cc(C[NH2+]C(c3ccc(F)cc3)c3ccc(F)cc3)on2)cn1 ZINC000183997874 822560706 /nfs/dbraw/zinc/56/07/06/822560706.db2.gz WJRHMRPCLRUSAB-UHFFFAOYSA-N 1 2 380.398 4.233 20 0 GIADLO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000179829912 822561651 /nfs/dbraw/zinc/56/16/51/822561651.db2.gz SKYFGHFTVYXIJQ-UHFFFAOYSA-N 1 2 393.466 4.002 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000184009471 822563118 /nfs/dbraw/zinc/56/31/18/822563118.db2.gz CFIPSDNSYGOZFE-KRWDZBQOSA-N 1 2 396.413 4.205 20 0 GIADLO Cc1cc(C)c(C(=O)CCCC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(C)c1 ZINC000047303078 822563460 /nfs/dbraw/zinc/56/34/60/822563460.db2.gz DCCIGVOOJZBWSJ-UHFFFAOYSA-N 1 2 385.533 4.048 20 0 GIADLO Cc1cc(C)c(C(=O)CCCC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(C)c1 ZINC000047303078 822563463 /nfs/dbraw/zinc/56/34/63/822563463.db2.gz DCCIGVOOJZBWSJ-UHFFFAOYSA-N 1 2 385.533 4.048 20 0 GIADLO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1nnc(Cc2ccccc2C)o1 ZINC000184012360 822563805 /nfs/dbraw/zinc/56/38/05/822563805.db2.gz AWLGOXPKJSSOIU-FQEVSTJZSA-N 1 2 376.504 4.070 20 0 GIADLO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1nnc(Cc2ccccc2C)o1 ZINC000184012360 822563807 /nfs/dbraw/zinc/56/38/07/822563807.db2.gz AWLGOXPKJSSOIU-FQEVSTJZSA-N 1 2 376.504 4.070 20 0 GIADLO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000454991111 822566966 /nfs/dbraw/zinc/56/69/66/822566966.db2.gz LDULEDQUYLZORK-HXUWFJFHSA-N 1 2 398.482 4.043 20 0 GIADLO C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000184029495 822567280 /nfs/dbraw/zinc/56/72/80/822567280.db2.gz SVHGKSKGBAACBI-JTSKRJEESA-N 1 2 378.520 4.063 20 0 GIADLO C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000047372019 822571929 /nfs/dbraw/zinc/57/19/29/822571929.db2.gz RPRXSDKXLRFPNX-CQSZACIVSA-N 1 2 392.956 4.429 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccnc3C(F)(F)F)n2)C1 ZINC000179906393 822574626 /nfs/dbraw/zinc/57/46/26/822574626.db2.gz WRNQZHQKJAJXMF-NSHDSACASA-N 1 2 384.427 4.041 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccnc3C(F)(F)F)n2)C1 ZINC000179906393 822574627 /nfs/dbraw/zinc/57/46/27/822574627.db2.gz WRNQZHQKJAJXMF-NSHDSACASA-N 1 2 384.427 4.041 20 0 GIADLO CCN(C(=O)C[NH2+][C@H](C)c1c(F)cccc1OC)c1nc2ccccc2s1 ZINC000179920458 822577496 /nfs/dbraw/zinc/57/74/96/822577496.db2.gz NZHJOJHGUNVFII-CYBMUJFWSA-N 1 2 387.480 4.148 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)[NH+]1CCSCC1 ZINC000179932465 822579455 /nfs/dbraw/zinc/57/94/55/822579455.db2.gz JIDGSAKXSUAFQD-ZDUSSCGKSA-N 1 2 399.541 4.045 20 0 GIADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000179933109 822579638 /nfs/dbraw/zinc/57/96/38/822579638.db2.gz PTENZWNXYKDIIT-LBPRGKRZSA-N 1 2 380.847 4.094 20 0 GIADLO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000179933530 822579859 /nfs/dbraw/zinc/57/98/59/822579859.db2.gz DMZULDKBYIOCCS-GHMZBOCLSA-N 1 2 395.818 4.074 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000047514578 822585712 /nfs/dbraw/zinc/58/57/12/822585712.db2.gz ZVUZRALZZXHVGC-UHFFFAOYSA-N 1 2 377.375 4.436 20 0 GIADLO CCNC(=O)N1CCc2ccc(N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)cc21 ZINC000179969053 822587540 /nfs/dbraw/zinc/58/75/40/822587540.db2.gz JNTQIQPXVSDDFC-MRXNPFEDSA-N 1 2 375.476 4.137 20 0 GIADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC000455104963 822589423 /nfs/dbraw/zinc/58/94/23/822589423.db2.gz IYJCJDPYOSUPJQ-WDSOQIARSA-N 1 2 398.938 4.069 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 ZINC000184167755 822589490 /nfs/dbraw/zinc/58/94/90/822589490.db2.gz SCFJMQOQMQPZFW-LLVKDONJSA-N 1 2 376.482 4.003 20 0 GIADLO Cc1ccc([C@H]2CCCN2C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)o1 ZINC000455109035 822590108 /nfs/dbraw/zinc/59/01/08/822590108.db2.gz OJLPSXDPHWLZHS-GOSISDBHSA-N 1 2 384.867 4.474 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)n1 ZINC000184174859 822590683 /nfs/dbraw/zinc/59/06/83/822590683.db2.gz NIQTUUYHWXLGIL-KXBFYZLASA-N 1 2 385.558 4.378 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2ccccc2F)C[C@H](C)O1 ZINC000047569449 822591833 /nfs/dbraw/zinc/59/18/33/822591833.db2.gz FGZICYDPSZZSBY-IRXDYDNUSA-N 1 2 385.483 4.099 20 0 GIADLO CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047569562 822591913 /nfs/dbraw/zinc/59/19/13/822591913.db2.gz WFKMDKRZNAWGKN-QZTJIDSGSA-N 1 2 399.510 4.489 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2ccccc2OC(F)(F)F)c2cccc(F)c2)cn1 ZINC000180027081 822599810 /nfs/dbraw/zinc/59/98/10/822599810.db2.gz MFKZDZJFEARJMT-GOSISDBHSA-N 1 2 379.357 4.337 20 0 GIADLO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1cccnc1OC(C)C ZINC000047720983 822603971 /nfs/dbraw/zinc/60/39/71/822603971.db2.gz KBCDFZOGEIQGAQ-UHFFFAOYSA-N 1 2 388.874 4.445 20 0 GIADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047931492 822620569 /nfs/dbraw/zinc/62/05/69/822620569.db2.gz VBFGCJGLUHMUHX-NSHDSACASA-N 1 2 394.422 4.152 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1nc(C)cs1 ZINC000184356915 822621332 /nfs/dbraw/zinc/62/13/32/822621332.db2.gz OKKYWQCATPFHTA-AWEZNQCLSA-N 1 2 390.509 4.394 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccc3ccccc3n2)CC1 ZINC000184375884 822624411 /nfs/dbraw/zinc/62/44/11/822624411.db2.gz FFOWKLZRNZYWHK-KBOKABMXSA-N 1 2 377.513 4.215 20 0 GIADLO CSc1c(F)cc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC000184378205 822624715 /nfs/dbraw/zinc/62/47/15/822624715.db2.gz UVUDJUGYLAHMGF-UHFFFAOYSA-N 1 2 388.443 4.253 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)c1nccs1 ZINC000184419777 822631796 /nfs/dbraw/zinc/63/17/96/822631796.db2.gz LHAZSQPGERDEAN-HNNXBMFYSA-N 1 2 395.532 4.276 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O)c1nc(C)cs1 ZINC000184420701 822631905 /nfs/dbraw/zinc/63/19/05/822631905.db2.gz SZQYNAZLNZKNCM-SWLSCSKDSA-N 1 2 385.489 4.468 20 0 GIADLO CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184447948 822637044 /nfs/dbraw/zinc/63/70/44/822637044.db2.gz VODANDCCVZOMFA-CQSZACIVSA-N 1 2 391.606 4.472 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OCC)cc3C)CC2)cc1 ZINC000048143173 822638634 /nfs/dbraw/zinc/63/86/34/822638634.db2.gz PBZPPQVFIDEAPN-UHFFFAOYSA-N 1 2 397.519 4.142 20 0 GIADLO Cc1nc(-c2ccccc2)sc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000184462828 822639992 /nfs/dbraw/zinc/63/99/92/822639992.db2.gz UVPUTDXWCCFVNL-YOEHRIQHSA-N 1 2 381.505 4.430 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c(OC)c1 ZINC000184473434 822642084 /nfs/dbraw/zinc/64/20/84/822642084.db2.gz BUWAPCOJVKKEBS-QWHCGFSZSA-N 1 2 391.537 4.136 20 0 GIADLO Cc1c(-c2cc(C[N@@H+](C)[C@H](C)c3ccccc3Br)on2)cnn1C ZINC000184481675 822643384 /nfs/dbraw/zinc/64/33/84/822643384.db2.gz NTVKHPOOTKSCIP-GFCCVEGCSA-N 1 2 389.297 4.339 20 0 GIADLO Cc1c(-c2cc(C[N@H+](C)[C@H](C)c3ccccc3Br)on2)cnn1C ZINC000184481675 822643387 /nfs/dbraw/zinc/64/33/87/822643387.db2.gz NTVKHPOOTKSCIP-GFCCVEGCSA-N 1 2 389.297 4.339 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3ccccc3OC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000048193517 822644078 /nfs/dbraw/zinc/64/40/78/822644078.db2.gz RNQOPHLLUWHWHN-UHFFFAOYSA-N 1 2 397.523 4.050 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(OC(F)F)c3)cn2c1 ZINC000048267137 822649862 /nfs/dbraw/zinc/64/98/62/822649862.db2.gz HFWKBLWNDLRCOB-UHFFFAOYSA-N 1 2 377.416 4.116 20 0 GIADLO Cc1ccc([C@@H](NCc2cccnc2N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000180266548 822651204 /nfs/dbraw/zinc/65/12/04/822651204.db2.gz YDIULQQNOQAXEV-DEOSSOPVSA-N 1 2 386.543 4.021 20 0 GIADLO C[C@@H](NC(=O)C[N@H+](Cc1cccnc1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000180277600 822653341 /nfs/dbraw/zinc/65/33/41/822653341.db2.gz MIMRQTQBXKYKHC-CYBMUJFWSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@@H](NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000180277600 822653342 /nfs/dbraw/zinc/65/33/42/822653342.db2.gz MIMRQTQBXKYKHC-CYBMUJFWSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@@H](Sc1ccccc1Cl)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000048347635 822654913 /nfs/dbraw/zinc/65/49/13/822654913.db2.gz HWKMKNKDJZYGDN-OAHLLOKOSA-N 1 2 385.920 4.382 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)c1C ZINC000184554365 822656543 /nfs/dbraw/zinc/65/65/43/822656543.db2.gz JVRFJSHKYPGKIG-ZDUSSCGKSA-N 1 2 388.895 4.228 20 0 GIADLO Cc1cc(C)c(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c(C)[nH+]1 ZINC000455462301 822659157 /nfs/dbraw/zinc/65/91/57/822659157.db2.gz BUDKZPMSXFRKEP-UHFFFAOYSA-N 1 2 380.492 4.457 20 0 GIADLO Cc1cc(F)ccc1-c1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)o1 ZINC000180299707 822659197 /nfs/dbraw/zinc/65/91/97/822659197.db2.gz HUZWOQXVRBLZDE-UHFFFAOYSA-N 1 2 381.451 4.362 20 0 GIADLO CCCCOc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1OCC ZINC000180299408 822659280 /nfs/dbraw/zinc/65/92/80/822659280.db2.gz HLINJFXXQZMAIN-UHFFFAOYSA-N 1 2 399.535 4.232 20 0 GIADLO Cc1cc(C)c(NC(=O)N(CCCOc2ccccc2)C2CCOCC2)c(C)[nH+]1 ZINC000455470844 822660847 /nfs/dbraw/zinc/66/08/47/822660847.db2.gz ATFVDVMZELAYHS-UHFFFAOYSA-N 1 2 397.519 4.489 20 0 GIADLO Cc1cc(C)c(NC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)c(C)[nH+]1 ZINC000455476745 822661852 /nfs/dbraw/zinc/66/18/52/822661852.db2.gz FBMSXNQTNUDIPL-UHFFFAOYSA-N 1 2 382.291 4.340 20 0 GIADLO COc1cc2[nH]c(CCCNC(=O)Nc3c(C)cc(C)[nH+]c3C)cc2c(OC)c1 ZINC000455479331 822662332 /nfs/dbraw/zinc/66/23/32/822662332.db2.gz GIPGXZLJJSYCOZ-UHFFFAOYSA-N 1 2 396.491 4.260 20 0 GIADLO C[C@@H](c1nccs1)N1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000184596367 822663305 /nfs/dbraw/zinc/66/33/05/822663305.db2.gz LQJCIOJHJDPGKJ-KRWDZBQOSA-N 1 2 380.517 4.209 20 0 GIADLO COC(=O)C[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(Cl)c(F)c1 ZINC000455494255 822665603 /nfs/dbraw/zinc/66/56/03/822665603.db2.gz MWUOTZHDIXHHQD-INIZCTEOSA-N 1 2 393.846 4.225 20 0 GIADLO COC(=O)c1ccc([C@H](NC(=O)Nc2c(C)cc(C)[nH+]c2C)C(F)(F)F)cc1 ZINC000455500082 822666562 /nfs/dbraw/zinc/66/65/62/822666562.db2.gz STVCZORXLWXPDP-INIZCTEOSA-N 1 2 395.381 4.219 20 0 GIADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1)c1ccco1 ZINC000184626136 822667756 /nfs/dbraw/zinc/66/77/56/822667756.db2.gz XYVNVNUIYRXQSZ-QFBILLFUSA-N 1 2 380.444 4.376 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nn1-c1cccc(Cl)c1 ZINC000180349465 822667917 /nfs/dbraw/zinc/66/79/17/822667917.db2.gz GXMQSSWRXLYEAE-RDTXWAMCSA-N 1 2 398.898 4.146 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2csc(NC(C)=O)n2)ccc1OCCC(C)C ZINC000180351611 822668403 /nfs/dbraw/zinc/66/84/03/822668403.db2.gz VPLSGGLUHIJTLJ-CQSZACIVSA-N 1 2 391.537 4.386 20 0 GIADLO COc1cccc(OC(F)(F)F)c1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455523224 822670300 /nfs/dbraw/zinc/67/03/00/822670300.db2.gz NOABAGVXDYKQMW-UHFFFAOYSA-N 1 2 383.370 4.236 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000455526291 822670698 /nfs/dbraw/zinc/67/06/98/822670698.db2.gz NBXBLKCVNKWGME-HBMCJLEFSA-N 1 2 380.536 4.283 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2cccc(-c3csc(C)n3)c2)cs1 ZINC000184678721 822675093 /nfs/dbraw/zinc/67/50/93/822675093.db2.gz KIRSJHQHHKMQSD-LBPRGKRZSA-N 1 2 386.546 4.427 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)cs1 ZINC000184746540 822685390 /nfs/dbraw/zinc/68/53/90/822685390.db2.gz HJOCEUOIOFCISV-NSHDSACASA-N 1 2 382.327 4.066 20 0 GIADLO O=C(N[C@@H](c1ccccc1)C(F)F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455640291 822689096 /nfs/dbraw/zinc/68/90/96/822689096.db2.gz GPBFZXRPFCXOIC-SFHVURJKSA-N 1 2 376.451 4.091 20 0 GIADLO Cc1cc([C@H]([NH2+][C@H](C)CN2CCN(C)CC2)c2ccccc2Cl)ccc1F ZINC000180496944 822691231 /nfs/dbraw/zinc/69/12/31/822691231.db2.gz BRFPDNHVMBBNBO-VGSWGCGISA-N 1 2 389.946 4.102 20 0 GIADLO CSCc1ccccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000184791134 822691601 /nfs/dbraw/zinc/69/16/01/822691601.db2.gz BETZIKOSVZOYSW-UHFFFAOYSA-N 1 2 380.517 4.159 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)N[C@H](c2ccccc2)C(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000455654640 822692305 /nfs/dbraw/zinc/69/23/05/822692305.db2.gz QPSLVYNKDLUONT-RCCFBDPRSA-N 1 2 395.400 4.016 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)N[C@H](c2ccccc2)C(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000455654640 822692307 /nfs/dbraw/zinc/69/23/07/822692307.db2.gz QPSLVYNKDLUONT-RCCFBDPRSA-N 1 2 395.400 4.016 20 0 GIADLO COc1cccc(-c2nc(C[N@H+](C)Cc3ccc(OC)c(OC)c3)cs2)c1 ZINC000049090915 822693042 /nfs/dbraw/zinc/69/30/42/822693042.db2.gz LUQMVUKHSMCHIH-UHFFFAOYSA-N 1 2 384.501 4.468 20 0 GIADLO COc1cccc(-c2nc(C[N@@H+](C)Cc3ccc(OC)c(OC)c3)cs2)c1 ZINC000049090915 822693045 /nfs/dbraw/zinc/69/30/45/822693045.db2.gz LUQMVUKHSMCHIH-UHFFFAOYSA-N 1 2 384.501 4.468 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180507081 822693082 /nfs/dbraw/zinc/69/30/82/822693082.db2.gz ZPWWOFXZYQVGIC-JTQLQIEISA-N 1 2 388.336 4.164 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180507081 822693085 /nfs/dbraw/zinc/69/30/85/822693085.db2.gz ZPWWOFXZYQVGIC-JTQLQIEISA-N 1 2 388.336 4.164 20 0 GIADLO O=C1CCCCN1C1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000180522568 822695884 /nfs/dbraw/zinc/69/58/84/822695884.db2.gz WHFPXVKYLBPDMD-UHFFFAOYSA-N 1 2 385.733 4.079 20 0 GIADLO Cc1ccc(-c2nn(C[N@@H+]3CCSC4(CCOCC4)C3)c(=S)o2)c(C)c1 ZINC000184832188 822697196 /nfs/dbraw/zinc/69/71/96/822697196.db2.gz KJJHHXVRYSRCKV-UHFFFAOYSA-N 1 2 391.562 4.045 20 0 GIADLO Cc1ccc(-c2nn(C[N@H+]3CCSC4(CCOCC4)C3)c(=S)o2)c(C)c1 ZINC000184832188 822697197 /nfs/dbraw/zinc/69/71/97/822697197.db2.gz KJJHHXVRYSRCKV-UHFFFAOYSA-N 1 2 391.562 4.045 20 0 GIADLO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1ncc(-c2ccccc2)o1 ZINC000184844347 822699201 /nfs/dbraw/zinc/69/92/01/822699201.db2.gz KHNAOIUTYMNWIO-ZDUSSCGKSA-N 1 2 389.908 4.366 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)o1 ZINC000184844940 822699418 /nfs/dbraw/zinc/69/94/18/822699418.db2.gz FWSBZNKMRSROAO-CRAIPNDOSA-N 1 2 384.476 4.085 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1ncc(-c2ccccc2)o1 ZINC000184853310 822700615 /nfs/dbraw/zinc/70/06/15/822700615.db2.gz KFSCPMXLHMSTTE-DLBZAZTESA-N 1 2 375.472 4.360 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)o1 ZINC000184854413 822700789 /nfs/dbraw/zinc/70/07/89/822700789.db2.gz OUOQPECYHAVPIN-GUYCJALGSA-N 1 2 398.459 4.095 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1ncc(-c2ccccc2)o1 ZINC000184869046 822704047 /nfs/dbraw/zinc/70/40/47/822704047.db2.gz AYKDXTLQLPIQRZ-CVEARBPZSA-N 1 2 381.451 4.178 20 0 GIADLO Cc1ccc(F)c(Br)c1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000455695259 822704640 /nfs/dbraw/zinc/70/46/40/822704640.db2.gz NEPDGNUQTDWUSZ-GFCCVEGCSA-N 1 2 395.276 4.042 20 0 GIADLO Cc1c(Cl)cncc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000455717492 822712285 /nfs/dbraw/zinc/71/22/85/822712285.db2.gz QWRUPYBGBHESDY-OALUTQOASA-N 1 2 381.867 4.290 20 0 GIADLO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000184916342 822712683 /nfs/dbraw/zinc/71/26/83/822712683.db2.gz FOLVNXVWIZIADR-SNVBAGLBSA-N 1 2 381.245 4.103 20 0 GIADLO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cc(Br)cc(F)c1O ZINC000184918222 822712895 /nfs/dbraw/zinc/71/28/95/822712895.db2.gz XQQJRGQRMOCVND-PSLIRLAXSA-N 1 2 388.664 4.331 20 0 GIADLO Cn1ccnc1[C@@H](NCc1ccccc1-n1cc[nH+]c1)c1ccccc1Cl ZINC000180620040 822713984 /nfs/dbraw/zinc/71/39/84/822713984.db2.gz QLGPALMAMDBGRT-FQEVSTJZSA-N 1 2 377.879 4.138 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@@H](CC)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000180623756 822714750 /nfs/dbraw/zinc/71/47/50/822714750.db2.gz NMFGJSZAMSVBID-SFHVURJKSA-N 1 2 379.460 4.311 20 0 GIADLO Cc1ccc(F)c(Br)c1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000455744776 822718480 /nfs/dbraw/zinc/71/84/80/822718480.db2.gz FJPRWKWUPVJYDE-NSHDSACASA-N 1 2 381.249 4.031 20 0 GIADLO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cc(Br)cc(F)c1O ZINC000184962389 822719188 /nfs/dbraw/zinc/71/91/88/822719188.db2.gz ZZPBIGHWDWBKIZ-GFCCVEGCSA-N 1 2 390.256 4.330 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)s1 ZINC000184974070 822720398 /nfs/dbraw/zinc/72/03/98/822720398.db2.gz ROHUKBBLDFUHND-PXNSSMCTSA-N 1 2 379.529 4.202 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1 ZINC000184987613 822722348 /nfs/dbraw/zinc/72/23/48/822722348.db2.gz QMUZZSZBVFKBEX-LLVKDONJSA-N 1 2 376.482 4.003 20 0 GIADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S ZINC000184990030 822722555 /nfs/dbraw/zinc/72/25/55/822722555.db2.gz NUNJLNVXPUHBDT-QAPCUYQASA-N 1 2 383.521 4.195 20 0 GIADLO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S ZINC000184990030 822722556 /nfs/dbraw/zinc/72/25/56/822722556.db2.gz NUNJLNVXPUHBDT-QAPCUYQASA-N 1 2 383.521 4.195 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)s1 ZINC000184995670 822723260 /nfs/dbraw/zinc/72/32/60/822723260.db2.gz ZQFPNKUSSIFAGZ-FOIQADDNSA-N 1 2 397.569 4.338 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)s1 ZINC000185002228 822723908 /nfs/dbraw/zinc/72/39/08/822723908.db2.gz ZXXLEXWPOBLQJI-KUHUBIRLSA-N 1 2 375.513 4.289 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(CCc2ccccc2)Cc2ccccc2)s1 ZINC000185024631 822726515 /nfs/dbraw/zinc/72/65/15/822726515.db2.gz AABXIKCQEMSRPJ-IBGZPJMESA-N 1 2 393.556 4.374 20 0 GIADLO Cc1c(Br)scc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000185038487 822727845 /nfs/dbraw/zinc/72/78/45/822727845.db2.gz WRKOVBBOIYAQBX-UHFFFAOYSA-N 1 2 394.338 4.134 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1C ZINC000050448453 822729658 /nfs/dbraw/zinc/72/96/58/822729658.db2.gz SODPAVNAZQKHCR-UHFFFAOYSA-N 1 2 399.878 4.264 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c1C ZINC000050448355 822729725 /nfs/dbraw/zinc/72/97/25/822729725.db2.gz DUPOCDOPRUQXTM-UHFFFAOYSA-N 1 2 396.466 4.085 20 0 GIADLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1)c1nccs1 ZINC000185057419 822730375 /nfs/dbraw/zinc/73/03/75/822730375.db2.gz GSHGHIFSMRUBTC-QAPCUYQASA-N 1 2 393.512 4.442 20 0 GIADLO Cc1cc(N2CCSCC2)ccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000050493574 822731694 /nfs/dbraw/zinc/73/16/94/822731694.db2.gz AWZUVCSGAFUADQ-UHFFFAOYSA-N 1 2 392.528 4.045 20 0 GIADLO CC(C)C(=O)c1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000455823133 822732395 /nfs/dbraw/zinc/73/23/95/822732395.db2.gz QTDCNYJVLFGTPP-UHFFFAOYSA-N 1 2 390.487 4.134 20 0 GIADLO COc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1-c1ccccc1 ZINC000050589563 822734323 /nfs/dbraw/zinc/73/43/23/822734323.db2.gz LDUWECVEIXTRFH-UHFFFAOYSA-N 1 2 379.485 4.059 20 0 GIADLO COc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1-c1ccccc1 ZINC000050589563 822734325 /nfs/dbraw/zinc/73/43/25/822734325.db2.gz LDUWECVEIXTRFH-UHFFFAOYSA-N 1 2 379.485 4.059 20 0 GIADLO C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cc(Br)cc(F)c1O ZINC000185125406 822740339 /nfs/dbraw/zinc/74/03/39/822740339.db2.gz RETOJWQIMZBSJN-GFCCVEGCSA-N 1 2 390.256 4.330 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1C ZINC000051334505 822756471 /nfs/dbraw/zinc/75/64/71/822756471.db2.gz XURWJOUBXVBAOD-OAHLLOKOSA-N 1 2 391.924 4.397 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c1C ZINC000051333769 822756495 /nfs/dbraw/zinc/75/64/95/822756495.db2.gz WHVNUVDUEXGFRR-UHFFFAOYSA-N 1 2 397.519 4.077 20 0 GIADLO O=C(Nc1cc(Cl)cc(Br)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000455976685 822760346 /nfs/dbraw/zinc/76/03/46/822760346.db2.gz XBWARRWPTKNRKA-UHFFFAOYSA-N 1 2 383.677 4.168 20 0 GIADLO Cc1cc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1C(F)(F)F ZINC000174292276 822764578 /nfs/dbraw/zinc/76/45/78/822764578.db2.gz RFUCXGUDUMMKJW-UHFFFAOYSA-N 1 2 378.398 4.199 20 0 GIADLO O=C(C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)Nc1ccccc1C(F)(F)F ZINC000185323011 822765743 /nfs/dbraw/zinc/76/57/43/822765743.db2.gz KWESHJHXEHTSQG-LBPRGKRZSA-N 1 2 384.348 4.412 20 0 GIADLO O=C(C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)Nc1ccccc1C(F)(F)F ZINC000185323011 822765744 /nfs/dbraw/zinc/76/57/44/822765744.db2.gz KWESHJHXEHTSQG-LBPRGKRZSA-N 1 2 384.348 4.412 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(Br)cc2Cl)c1C ZINC000051585137 822766818 /nfs/dbraw/zinc/76/68/18/822766818.db2.gz PAIDQVVWAGEPQI-UHFFFAOYSA-N 1 2 398.688 4.445 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(-c3csc(C)n3)cc2)c1C ZINC000051586834 822767134 /nfs/dbraw/zinc/76/71/34/822767134.db2.gz DNWBZXWGTIHBHR-UHFFFAOYSA-N 1 2 382.489 4.461 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cccc(CC(F)(F)F)c1 ZINC000174316571 822769854 /nfs/dbraw/zinc/76/98/54/822769854.db2.gz ABGBBVWLLZMFLK-UHFFFAOYSA-N 1 2 388.393 4.358 20 0 GIADLO CC(C)(C)Oc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000174322290 822770646 /nfs/dbraw/zinc/77/06/46/822770646.db2.gz MGVKTFYGWQHKTB-KRWDZBQOSA-N 1 2 398.400 4.338 20 0 GIADLO COc1ccc2nc(C[NH2+][C@@H](c3cnn(C)c3)c3ccc(F)cc3)sc2c1 ZINC000185449405 822785848 /nfs/dbraw/zinc/78/58/48/822785848.db2.gz VURZTCMQYPKYGA-HXUWFJFHSA-N 1 2 382.464 4.057 20 0 GIADLO Cc1nc2ccccc2nc1C[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000052072877 822789630 /nfs/dbraw/zinc/78/96/30/822789630.db2.gz QXURPUWXERKHBB-UHFFFAOYSA-N 1 2 395.576 4.010 20 0 GIADLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185502730 822791372 /nfs/dbraw/zinc/79/13/72/822791372.db2.gz IXBXKQZVCQAYOG-AWEZNQCLSA-N 1 2 393.314 4.304 20 0 GIADLO C[N@H+](CC1CCC(C(F)(F)F)CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000185522546 822793122 /nfs/dbraw/zinc/79/31/22/822793122.db2.gz JDSFPKCBFHWWAZ-KOHJWAIASA-N 1 2 395.874 4.469 20 0 GIADLO C[N@@H+](CC1CCC(C(F)(F)F)CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000185522546 822793126 /nfs/dbraw/zinc/79/31/26/822793126.db2.gz JDSFPKCBFHWWAZ-KOHJWAIASA-N 1 2 395.874 4.469 20 0 GIADLO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(Br)cc(F)c1O ZINC000185532483 822794175 /nfs/dbraw/zinc/79/41/75/822794175.db2.gz SOKCWQQRLSXKRY-SJKOYZFVSA-N 1 2 382.273 4.458 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)C1(Cc2cccc(F)c2)CCC1 ZINC000185564150 822796985 /nfs/dbraw/zinc/79/69/85/822796985.db2.gz YAVVILMJXPVWCT-UHFFFAOYSA-N 1 2 391.490 4.142 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000185648369 822806522 /nfs/dbraw/zinc/80/65/22/822806522.db2.gz KJRSEDZPVRXQRG-GFCCVEGCSA-N 1 2 377.414 4.165 20 0 GIADLO COc1cc(C[N@H+](Cc2cn3cccc(C)c3n2)C2CC2)ccc1OC(F)F ZINC000052685763 822807251 /nfs/dbraw/zinc/80/72/51/822807251.db2.gz KQIHKRKQMTYKPP-UHFFFAOYSA-N 1 2 387.430 4.417 20 0 GIADLO COc1cc(C[N@@H+](Cc2cn3cccc(C)c3n2)C2CC2)ccc1OC(F)F ZINC000052685763 822807254 /nfs/dbraw/zinc/80/72/54/822807254.db2.gz KQIHKRKQMTYKPP-UHFFFAOYSA-N 1 2 387.430 4.417 20 0 GIADLO Clc1cccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)n1 ZINC000174592681 822809236 /nfs/dbraw/zinc/80/92/36/822809236.db2.gz DQFSXFZSQRLAFN-UHFFFAOYSA-N 1 2 399.951 4.263 20 0 GIADLO Cc1nc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Br)cs2)sc1C ZINC000052848037 822812863 /nfs/dbraw/zinc/81/28/63/822812863.db2.gz TXWGNVBHOAZMPE-VIFPVBQESA-N 1 2 388.356 4.043 20 0 GIADLO Cc1nc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Br)cs2)sc1C ZINC000052848037 822812865 /nfs/dbraw/zinc/81/28/65/822812865.db2.gz TXWGNVBHOAZMPE-VIFPVBQESA-N 1 2 388.356 4.043 20 0 GIADLO Cc1nc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Br)cs2)sc1C ZINC000052848036 822812908 /nfs/dbraw/zinc/81/29/08/822812908.db2.gz TXWGNVBHOAZMPE-SECBINFHSA-N 1 2 388.356 4.043 20 0 GIADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Br)cs2)sc1C ZINC000052848036 822812911 /nfs/dbraw/zinc/81/29/11/822812911.db2.gz TXWGNVBHOAZMPE-SECBINFHSA-N 1 2 388.356 4.043 20 0 GIADLO Cc1noc([C@H]2CCC[N@H+](Cc3csc(COc4ccc(C)cc4)n3)C2)n1 ZINC000052862351 822813107 /nfs/dbraw/zinc/81/31/07/822813107.db2.gz KAHOFLJVANNGLG-INIZCTEOSA-N 1 2 384.505 4.102 20 0 GIADLO Cc1noc([C@H]2CCC[N@@H+](Cc3csc(COc4ccc(C)cc4)n3)C2)n1 ZINC000052862351 822813111 /nfs/dbraw/zinc/81/31/11/822813111.db2.gz KAHOFLJVANNGLG-INIZCTEOSA-N 1 2 384.505 4.102 20 0 GIADLO C[C@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)c1nc(C(C)(C)C)no1 ZINC000174660027 822819891 /nfs/dbraw/zinc/81/98/91/822819891.db2.gz FENACFHRAMLRHY-NSHDSACASA-N 1 2 392.297 4.256 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174664265 822820542 /nfs/dbraw/zinc/82/05/42/822820542.db2.gz OUWCCEVRQWLGFK-QRWLVFNGSA-N 1 2 397.450 4.284 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@H+](Cc2ccc(OC)cc2)[C@@H](C)C2CC2)cs1 ZINC000053098126 822821538 /nfs/dbraw/zinc/82/15/38/822821538.db2.gz BOWYSACGUVYNCD-HNNXBMFYSA-N 1 2 387.549 4.325 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@@H+](Cc2ccc(OC)cc2)[C@@H](C)C2CC2)cs1 ZINC000053098126 822821541 /nfs/dbraw/zinc/82/15/41/822821541.db2.gz BOWYSACGUVYNCD-HNNXBMFYSA-N 1 2 387.549 4.325 20 0 GIADLO Cc1nc(-c2ccccc2)oc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000174695252 822824575 /nfs/dbraw/zinc/82/45/75/822824575.db2.gz GTPIVBITNGDUKH-UHFFFAOYSA-N 1 2 390.487 4.355 20 0 GIADLO COCCn1c2ccccc2[nH+]c1NCc1cc(Br)c(OC)s1 ZINC000185845627 822826805 /nfs/dbraw/zinc/82/68/05/822826805.db2.gz DQRFPELUTYRWOT-UHFFFAOYSA-N 1 2 396.310 4.127 20 0 GIADLO CCC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000185874745 822829160 /nfs/dbraw/zinc/82/91/60/822829160.db2.gz GLIWOXJHMNQJSK-QGZVFWFLSA-N 1 2 378.563 4.368 20 0 GIADLO CCC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000185874745 822829164 /nfs/dbraw/zinc/82/91/64/822829164.db2.gz GLIWOXJHMNQJSK-QGZVFWFLSA-N 1 2 378.563 4.368 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000456806083 822832966 /nfs/dbraw/zinc/83/29/66/822832966.db2.gz DFAQEWKGDAGWFB-UHFFFAOYSA-N 1 2 395.453 4.305 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000174760121 822833689 /nfs/dbraw/zinc/83/36/89/822833689.db2.gz ZZOBXSZIEWCOAS-WIOPSUGQSA-N 1 2 389.543 4.051 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000185923964 822833965 /nfs/dbraw/zinc/83/39/65/822833965.db2.gz CPXHEONMGQYDIX-NSHDSACASA-N 1 2 379.354 4.120 20 0 GIADLO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456837964 822836868 /nfs/dbraw/zinc/83/68/68/822836868.db2.gz BWOHECYBNBSTEC-UHFFFAOYSA-N 1 2 385.464 4.111 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1nc(C(F)(F)F)cs1 ZINC000185958817 822837444 /nfs/dbraw/zinc/83/74/44/822837444.db2.gz DVGIFLFNTAAEPK-SECBINFHSA-N 1 2 390.431 4.127 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000174837438 822844320 /nfs/dbraw/zinc/84/43/20/822844320.db2.gz FNOJIAZHHSSXMK-OAQYLSRUSA-N 1 2 392.547 4.060 20 0 GIADLO Fc1cccc([C@H]2C[C@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1F ZINC000174838675 822844511 /nfs/dbraw/zinc/84/45/11/822844511.db2.gz CGNPHTZKUXAAOR-QZTJIDSGSA-N 1 2 397.425 4.118 20 0 GIADLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000186062564 822848490 /nfs/dbraw/zinc/84/84/90/822848490.db2.gz CFNGFFROQXWSGI-MRXNPFEDSA-N 1 2 387.487 4.278 20 0 GIADLO Cc1csc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000174866428 822848581 /nfs/dbraw/zinc/84/85/81/822848581.db2.gz IBAVKEPSRKXBNT-UHFFFAOYSA-N 1 2 380.579 4.048 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1cccc(F)c1F ZINC000174895510 822852064 /nfs/dbraw/zinc/85/20/64/822852064.db2.gz XXIYFCULLBTDNC-UHFFFAOYSA-N 1 2 387.474 4.058 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(-c2ccccc2)no1 ZINC000174908492 822854340 /nfs/dbraw/zinc/85/43/40/822854340.db2.gz SVDMEUWXJARGRZ-UHFFFAOYSA-N 1 2 390.487 4.115 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000174912053 822854590 /nfs/dbraw/zinc/85/45/90/822854590.db2.gz HQLDVJUFDJTLDY-UHFFFAOYSA-N 1 2 394.494 4.389 20 0 GIADLO O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000053995538 822856198 /nfs/dbraw/zinc/85/61/98/822856198.db2.gz BJUBHMMFHKYTAL-UHFFFAOYSA-N 1 2 388.402 4.129 20 0 GIADLO C[C@@H]1CC[N@H+](Cn2nc(-c3ccncc3)n(Cc3ccccc3)c2=S)[C@@H]1C ZINC000174951529 822860264 /nfs/dbraw/zinc/86/02/64/822860264.db2.gz XLJSADMYQAWACR-IAGOWNOFSA-N 1 2 379.533 4.212 20 0 GIADLO C[C@@H]1CC[N@@H+](Cn2nc(-c3ccncc3)n(Cc3ccccc3)c2=S)[C@@H]1C ZINC000174951529 822860267 /nfs/dbraw/zinc/86/02/67/822860267.db2.gz XLJSADMYQAWACR-IAGOWNOFSA-N 1 2 379.533 4.212 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc4ncsc4c3)CC2)cc1 ZINC000174963907 822862205 /nfs/dbraw/zinc/86/22/05/822862205.db2.gz WKOCRZGIBGBBIH-UHFFFAOYSA-N 1 2 395.532 4.153 20 0 GIADLO COc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(Cl)cc3)n2C)c1 ZINC000186241003 822863957 /nfs/dbraw/zinc/86/39/57/822863957.db2.gz BYFAWVHENUCCPS-LJQANCHMSA-N 1 2 382.895 4.481 20 0 GIADLO COc1cccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(Cl)cc3)n2C)c1 ZINC000186241003 822863958 /nfs/dbraw/zinc/86/39/58/822863958.db2.gz BYFAWVHENUCCPS-LJQANCHMSA-N 1 2 382.895 4.481 20 0 GIADLO CC(C)Oc1ncc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1Cl ZINC000054151892 822864381 /nfs/dbraw/zinc/86/43/81/822864381.db2.gz JEAOZTKEBIIVSZ-UHFFFAOYSA-N 1 2 394.928 4.217 20 0 GIADLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000054152897 822864513 /nfs/dbraw/zinc/86/45/13/822864513.db2.gz OAQMVCOSRYOIIT-UHFFFAOYSA-N 1 2 391.446 4.149 20 0 GIADLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000054152897 822864515 /nfs/dbraw/zinc/86/45/15/822864515.db2.gz OAQMVCOSRYOIIT-UHFFFAOYSA-N 1 2 391.446 4.149 20 0 GIADLO Cc1cc(NC(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c(C)c[nH+]1 ZINC000568960161 822865205 /nfs/dbraw/zinc/86/52/05/822865205.db2.gz CKZDKTYDRWNHMG-KDOFPFPSSA-N 1 2 393.409 4.133 20 0 GIADLO COc1ccc2nc(C)c(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)cc2c1 ZINC000054224316 822869228 /nfs/dbraw/zinc/86/92/28/822869228.db2.gz GVKWROHMMYNNLN-UHFFFAOYSA-N 1 2 376.391 4.129 20 0 GIADLO O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224894 822869558 /nfs/dbraw/zinc/86/95/58/822869558.db2.gz LXWGBFJLMUOBLF-UHFFFAOYSA-N 1 2 378.432 4.316 20 0 GIADLO O=S1(=O)CC[C@@H]([NH2+]C(c2cccs2)c2cccs2)c2ccccc21 ZINC000186280180 822869601 /nfs/dbraw/zinc/86/96/01/822869601.db2.gz GDFPCCHPZDUIMQ-CQSZACIVSA-N 1 2 375.540 4.407 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC000175037055 822871764 /nfs/dbraw/zinc/87/17/64/822871764.db2.gz NMQVHGJYOLCXRC-RBUKOAKNSA-N 1 2 390.597 4.004 20 0 GIADLO COc1ccc(CCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1F ZINC000054277588 822872640 /nfs/dbraw/zinc/87/26/40/822872640.db2.gz QRASCTVKUQYXKX-CQSZACIVSA-N 1 2 391.512 4.094 20 0 GIADLO COc1ccc(CCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1F ZINC000054277588 822872642 /nfs/dbraw/zinc/87/26/42/822872642.db2.gz QRASCTVKUQYXKX-CQSZACIVSA-N 1 2 391.512 4.094 20 0 GIADLO CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000054297607 822873822 /nfs/dbraw/zinc/87/38/22/822873822.db2.gz LXCHSIJGVKJOIY-GOSISDBHSA-N 1 2 394.515 4.316 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000569059581 822875325 /nfs/dbraw/zinc/87/53/25/822875325.db2.gz PHHSOIICCBHQBL-XUTJKUGGSA-N 1 2 394.906 4.330 20 0 GIADLO C[C@H](CC(F)(F)F)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457460569 822877337 /nfs/dbraw/zinc/87/73/37/822877337.db2.gz XXQJNTYWAUVOQO-RISCZKNCSA-N 1 2 380.813 4.321 20 0 GIADLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)nc1C1CC1 ZINC000054466321 822887729 /nfs/dbraw/zinc/88/77/29/822887729.db2.gz KCOAOZXGOZCEEN-MRXNPFEDSA-N 1 2 395.532 4.456 20 0 GIADLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)nc1C1CC1 ZINC000054466321 822887732 /nfs/dbraw/zinc/88/77/32/822887732.db2.gz KCOAOZXGOZCEEN-MRXNPFEDSA-N 1 2 395.532 4.456 20 0 GIADLO COc1cc(C[NH2+]Cc2cc(COC(C)(C)C)on2)c(SC)cc1OC ZINC000186418225 822891300 /nfs/dbraw/zinc/89/13/00/822891300.db2.gz BWZKVXBJMLILNY-UHFFFAOYSA-N 1 2 380.510 4.019 20 0 GIADLO CC(=O)Nc1ccc(C)c(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000569273736 822899610 /nfs/dbraw/zinc/89/96/10/822899610.db2.gz PJELKUKQEYOPQL-UHFFFAOYSA-N 1 2 388.471 4.406 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)N[C@H](c1cccs1)c1ccccc1 ZINC000569274687 822899910 /nfs/dbraw/zinc/89/99/10/822899910.db2.gz MSGZWVNNWIHSOB-KNQAVFIVSA-N 1 2 377.513 4.186 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)N[C@H](c1cccs1)c1ccccc1 ZINC000569274687 822899913 /nfs/dbraw/zinc/89/99/13/822899913.db2.gz MSGZWVNNWIHSOB-KNQAVFIVSA-N 1 2 377.513 4.186 20 0 GIADLO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1cc(Br)cc(F)c1O ZINC000186472679 822901120 /nfs/dbraw/zinc/90/11/20/822901120.db2.gz HRFOCWUJKHFURL-LLVKDONJSA-N 1 2 392.272 4.074 20 0 GIADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC(CF)CC1 ZINC000457676378 822905304 /nfs/dbraw/zinc/90/53/04/822905304.db2.gz SEHLFDPFSNZFLG-QGZVFWFLSA-N 1 2 385.886 4.007 20 0 GIADLO CN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000457799774 822920634 /nfs/dbraw/zinc/92/06/34/822920634.db2.gz XEMHUMSEHIHFSC-SFTDATJTSA-N 1 2 378.520 4.028 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc3c2OCC3(C)C)C[C@H](C)O1 ZINC000569432916 822922595 /nfs/dbraw/zinc/92/25/95/822922595.db2.gz OWDZXWVZLQFXNA-CALCHBBNSA-N 1 2 394.515 4.218 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc3c2OCC3(C)C)C[C@H](C)O1 ZINC000569432916 822922598 /nfs/dbraw/zinc/92/25/98/822922598.db2.gz OWDZXWVZLQFXNA-CALCHBBNSA-N 1 2 394.515 4.218 20 0 GIADLO CC[C@@H](C)Oc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000175285051 822924514 /nfs/dbraw/zinc/92/45/14/822924514.db2.gz FLKHIILAFJOBEU-GOSISDBHSA-N 1 2 377.488 4.081 20 0 GIADLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000569513057 822932538 /nfs/dbraw/zinc/93/25/38/822932538.db2.gz KZAVWBCUAUECDD-UHFFFAOYSA-N 1 2 397.320 4.205 20 0 GIADLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCc2ccc(Br)cc2C1 ZINC000569513057 822932540 /nfs/dbraw/zinc/93/25/40/822932540.db2.gz KZAVWBCUAUECDD-UHFFFAOYSA-N 1 2 397.320 4.205 20 0 GIADLO COc1ccc(-c2nc(C[NH+]3CCC(COc4ccccc4)CC3)no2)cc1 ZINC000055081651 822936651 /nfs/dbraw/zinc/93/66/51/822936651.db2.gz WTRPQYCIWOYCTH-UHFFFAOYSA-N 1 2 379.460 4.036 20 0 GIADLO CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)c1ccc(-c2cccs2)o1 ZINC000569561169 822939955 /nfs/dbraw/zinc/93/99/55/822939955.db2.gz UOVKKSMAYYIIOC-FPOVZHCZSA-N 1 2 396.512 4.152 20 0 GIADLO CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)c1ccc(-c2cccs2)o1 ZINC000569561169 822939959 /nfs/dbraw/zinc/93/99/59/822939959.db2.gz UOVKKSMAYYIIOC-FPOVZHCZSA-N 1 2 396.512 4.152 20 0 GIADLO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)CCO2 ZINC000186698680 822940107 /nfs/dbraw/zinc/94/01/07/822940107.db2.gz WJJPISZSBMCECT-IFMALSPDSA-N 1 2 381.451 4.161 20 0 GIADLO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1nnn(-c3ccc(F)cc3)c1C)CCO2 ZINC000186700363 822940422 /nfs/dbraw/zinc/94/04/22/822940422.db2.gz SHUPYGINTLTLJX-VLIAUNLRSA-N 1 2 396.466 4.288 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000186736158 822947245 /nfs/dbraw/zinc/94/72/45/822947245.db2.gz BCIMCVRNNISJOZ-KRWDZBQOSA-N 1 2 388.393 4.018 20 0 GIADLO CC[C@H](C)[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2[nH]1 ZINC000055441913 822963060 /nfs/dbraw/zinc/96/30/60/822963060.db2.gz GVAFFCFNIYWDNJ-HRAATJIYSA-N 1 2 387.487 4.325 20 0 GIADLO CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175432906 822967283 /nfs/dbraw/zinc/96/72/83/822967283.db2.gz OXGZDWHGBHZEMO-JOCHJYFZSA-N 1 2 376.504 4.094 20 0 GIADLO COc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc(OC)c1Cl ZINC000458229221 822971354 /nfs/dbraw/zinc/97/13/54/822971354.db2.gz WKVQWDDFZUCQRC-QGZVFWFLSA-N 1 2 383.275 4.252 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3)n2)c(OC)c1 ZINC000055506576 822972617 /nfs/dbraw/zinc/97/26/17/822972617.db2.gz UWHKNNJMEXKUDI-SFHVURJKSA-N 1 2 383.423 4.230 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc(F)cc3)n2)c(OC)c1 ZINC000055506576 822972621 /nfs/dbraw/zinc/97/26/21/822972621.db2.gz UWHKNNJMEXKUDI-SFHVURJKSA-N 1 2 383.423 4.230 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000055525489 822974702 /nfs/dbraw/zinc/97/47/02/822974702.db2.gz IMAOHYSOZORCGG-FQEVSTJZSA-N 1 2 379.891 4.432 20 0 GIADLO COc1ccc([C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c2ccccc2Cl)c(C)c1 ZINC000569864414 822977945 /nfs/dbraw/zinc/97/79/45/822977945.db2.gz OFYXYGQQTKAAOE-BTYIYWSLSA-N 1 2 397.906 4.465 20 0 GIADLO COc1ccc([C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c2ccccc2Cl)c(C)c1 ZINC000569864414 822977948 /nfs/dbraw/zinc/97/79/48/822977948.db2.gz OFYXYGQQTKAAOE-BTYIYWSLSA-N 1 2 397.906 4.465 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000569905343 822984023 /nfs/dbraw/zinc/98/40/23/822984023.db2.gz YQCDHAVWKXUZJV-SJLPKXTDSA-N 1 2 386.927 4.351 20 0 GIADLO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ncc(Br)cc1F ZINC000186976449 822990778 /nfs/dbraw/zinc/99/07/78/822990778.db2.gz VPGZQMTUCHGYEH-LBPRGKRZSA-N 1 2 375.245 4.020 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000569973259 822991855 /nfs/dbraw/zinc/99/18/55/822991855.db2.gz BRLPOTPATDACJB-OAQYLSRUSA-N 1 2 379.891 4.491 20 0 GIADLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)c1 ZINC000569978689 822992483 /nfs/dbraw/zinc/99/24/83/822992483.db2.gz KVHXNZNFUJOOJD-KSSFIOAISA-N 1 2 386.517 4.253 20 0 GIADLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@@H]2c2cccs2)c1 ZINC000569978689 822992487 /nfs/dbraw/zinc/99/24/87/822992487.db2.gz KVHXNZNFUJOOJD-KSSFIOAISA-N 1 2 386.517 4.253 20 0 GIADLO CC(C)(C)OCc1cccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000570012193 822996702 /nfs/dbraw/zinc/99/67/02/822996702.db2.gz IHBYLDQYKNTNMJ-UHFFFAOYSA-N 1 2 391.515 4.105 20 0 GIADLO CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175561170 822997853 /nfs/dbraw/zinc/99/78/53/822997853.db2.gz LKHDGFJHPNRYIT-QFIPXVFZSA-N 1 2 376.504 4.094 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000187035838 823001820 /nfs/dbraw/zinc/00/18/20/823001820.db2.gz XJYXSPPMPQHOEQ-QGZVFWFLSA-N 1 2 385.957 4.057 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000187035838 823001825 /nfs/dbraw/zinc/00/18/25/823001825.db2.gz XJYXSPPMPQHOEQ-QGZVFWFLSA-N 1 2 385.957 4.057 20 0 GIADLO COc1ccc2nc(C[N@@H+]3CCCN(C(=O)Oc4ccccc4)CC3)sc2c1 ZINC000187036888 823001940 /nfs/dbraw/zinc/00/19/40/823001940.db2.gz KKYKAFICJZXPEG-UHFFFAOYSA-N 1 2 397.500 4.012 20 0 GIADLO COc1ccc2nc(C[N@H+]3CCCN(C(=O)Oc4ccccc4)CC3)sc2c1 ZINC000187036888 823001945 /nfs/dbraw/zinc/00/19/45/823001945.db2.gz KKYKAFICJZXPEG-UHFFFAOYSA-N 1 2 397.500 4.012 20 0 GIADLO CC[C@H](C)[C@H](C)N(C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000175584414 823002241 /nfs/dbraw/zinc/00/22/41/823002241.db2.gz HZWIUIDALZYDLD-ROUUACIJSA-N 1 2 386.584 4.330 20 0 GIADLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(OCc3ccc(C)cc3)cc2)no1 ZINC000570089652 823004942 /nfs/dbraw/zinc/00/49/42/823004942.db2.gz FAWGXYTXSJYKQV-UHFFFAOYSA-N 1 2 394.471 4.374 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH+]2CCC(OCCc3ccccc3)CC2)n1 ZINC000175603550 823005178 /nfs/dbraw/zinc/00/51/78/823005178.db2.gz UWAUVMQJWALMSQ-UHFFFAOYSA-N 1 2 391.515 4.193 20 0 GIADLO Cc1cc2c(cc1F)C(=O)NC1(CC[NH+](Cc3c(F)cccc3Cl)CC1)N2 ZINC000570103201 823006057 /nfs/dbraw/zinc/00/60/57/823006057.db2.gz QNTMUPDWIIATQX-UHFFFAOYSA-N 1 2 391.849 4.074 20 0 GIADLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000187088139 823008953 /nfs/dbraw/zinc/00/89/53/823008953.db2.gz VLDPZILBWJTDPM-FOIQADDNSA-N 1 2 381.863 4.128 20 0 GIADLO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000187091821 823009585 /nfs/dbraw/zinc/00/95/85/823009585.db2.gz FHBBAGIQMBIXDH-LSDHHAIUSA-N 1 2 375.987 4.240 20 0 GIADLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000187091821 823009588 /nfs/dbraw/zinc/00/95/88/823009588.db2.gz FHBBAGIQMBIXDH-LSDHHAIUSA-N 1 2 375.987 4.240 20 0 GIADLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000187091860 823009609 /nfs/dbraw/zinc/00/96/09/823009609.db2.gz FHBBAGIQMBIXDH-HUUCEWRRSA-N 1 2 375.987 4.240 20 0 GIADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000187091860 823009612 /nfs/dbraw/zinc/00/96/12/823009612.db2.gz FHBBAGIQMBIXDH-HUUCEWRRSA-N 1 2 375.987 4.240 20 0 GIADLO C[C@@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000187104569 823011166 /nfs/dbraw/zinc/01/11/66/823011166.db2.gz YOAQABNZEMJMDP-DYESRHJHSA-N 1 2 376.460 4.187 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCCC[C@@H]2CCO)cs1)c1ccc(Cl)cc1 ZINC000175662359 823015205 /nfs/dbraw/zinc/01/52/05/823015205.db2.gz DUEPDEDISIVNEW-QGZVFWFLSA-N 1 2 393.940 4.218 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCCC[C@@H]2CCO)cs1)c1ccc(Cl)cc1 ZINC000175662359 823015207 /nfs/dbraw/zinc/01/52/07/823015207.db2.gz DUEPDEDISIVNEW-QGZVFWFLSA-N 1 2 393.940 4.218 20 0 GIADLO CCc1ccc([C@H](NC(=O)C[N@@H+]2CCC(F)(F)[C@H](C)C2)c2cccs2)cc1 ZINC000570219263 823016258 /nfs/dbraw/zinc/01/62/58/823016258.db2.gz JSCDQZFLMLTQFH-QRWLVFNGSA-N 1 2 392.515 4.493 20 0 GIADLO CCc1ccc([C@H](NC(=O)C[N@H+]2CCC(F)(F)[C@H](C)C2)c2cccs2)cc1 ZINC000570219263 823016259 /nfs/dbraw/zinc/01/62/59/823016259.db2.gz JSCDQZFLMLTQFH-QRWLVFNGSA-N 1 2 392.515 4.493 20 0 GIADLO Cc1cccnc1[C@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)C(C)C ZINC000175678657 823018576 /nfs/dbraw/zinc/01/85/76/823018576.db2.gz KELWUILGJOVUID-HXUWFJFHSA-N 1 2 394.544 4.263 20 0 GIADLO C[C@H](c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1)C(F)(F)F ZINC000570252749 823019567 /nfs/dbraw/zinc/01/95/67/823019567.db2.gz HGIKOKFQQOCXMN-UHOFOFEASA-N 1 2 381.398 4.328 20 0 GIADLO C[C@H](c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1)C(F)(F)F ZINC000570252749 823019568 /nfs/dbraw/zinc/01/95/68/823019568.db2.gz HGIKOKFQQOCXMN-UHOFOFEASA-N 1 2 381.398 4.328 20 0 GIADLO CC(C)(C)Oc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000175683516 823019626 /nfs/dbraw/zinc/01/96/26/823019626.db2.gz MWEHPGZZJHRTKQ-UHFFFAOYSA-N 1 2 379.460 4.392 20 0 GIADLO Cc1ccc(C[S@@](=O)CC(=O)N[C@H](c2ccccc2)C2CCCCC2)c(C)[nH+]1 ZINC000187216223 823026183 /nfs/dbraw/zinc/02/61/83/823026183.db2.gz AQAUVNZCUNQOKH-QDPGVEIFSA-N 1 2 398.572 4.385 20 0 GIADLO CCCN1C(=O)CC[C@@H](c2nc(C3CCCCCC3)no2)[C@@H]1c1c[nH+]cn1C ZINC000570332082 823026452 /nfs/dbraw/zinc/02/64/52/823026452.db2.gz FPGLSZBHTURZLL-VQIMIIECSA-N 1 2 385.512 4.098 20 0 GIADLO Cc1ccc(C[S@](=O)[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c(C)[nH+]1 ZINC000187222313 823027101 /nfs/dbraw/zinc/02/71/01/823027101.db2.gz SGRWNYROVCWABH-RXBISOJRSA-N 1 2 389.908 4.336 20 0 GIADLO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)c1cscn1 ZINC000570345862 823027393 /nfs/dbraw/zinc/02/73/93/823027393.db2.gz XFWNDRFPIOSEEW-LBPRGKRZSA-N 1 2 377.311 4.251 20 0 GIADLO COc1c(Br)cccc1C[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000187298668 823039236 /nfs/dbraw/zinc/03/92/36/823039236.db2.gz RGBKMUQOFIXEMY-UHFFFAOYSA-N 1 2 390.306 4.266 20 0 GIADLO C[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000570445625 823039692 /nfs/dbraw/zinc/03/96/92/823039692.db2.gz CFWQSRSRZGSEJF-HBGVWJBISA-N 1 2 393.462 4.059 20 0 GIADLO CN1C(=O)CCc2cc(CNc3ccc(-c4[nH+]cc5n4CCCC5)cc3)ccc21 ZINC000187317182 823042659 /nfs/dbraw/zinc/04/26/59/823042659.db2.gz NRSLAAFCAYANMM-UHFFFAOYSA-N 1 2 386.499 4.408 20 0 GIADLO O=C(Nc1nc(CC(F)(F)F)cs1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000570478731 823043457 /nfs/dbraw/zinc/04/34/57/823043457.db2.gz PJZHPUOUFVBZGZ-OAHLLOKOSA-N 1 2 383.439 4.241 20 0 GIADLO O=C(Nc1nc(CC(F)(F)F)cs1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000570478731 823043462 /nfs/dbraw/zinc/04/34/62/823043462.db2.gz PJZHPUOUFVBZGZ-OAHLLOKOSA-N 1 2 383.439 4.241 20 0 GIADLO CC(C)c1ccc(C[C@H]2CCN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C2)cc1 ZINC000460918040 823541928 /nfs/dbraw/zinc/54/19/28/823541928.db2.gz PRFVPENCFVLXLZ-HXUWFJFHSA-N 1 2 394.563 4.160 20 0 GIADLO C/C(=C/C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000123846430 823545117 /nfs/dbraw/zinc/54/51/17/823545117.db2.gz IXKMXXGXOCKJJG-MEMPGGEMSA-N 1 2 377.410 4.415 20 0 GIADLO CC1(C)C[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC[C@H]1C(F)(F)F ZINC000190175569 823546379 /nfs/dbraw/zinc/54/63/79/823546379.db2.gz XPXRTVWRIOSHPE-CYBMUJFWSA-N 1 2 375.341 4.425 20 0 GIADLO CC1(C)C[N@@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC[C@H]1C(F)(F)F ZINC000190175569 823546383 /nfs/dbraw/zinc/54/63/83/823546383.db2.gz XPXRTVWRIOSHPE-CYBMUJFWSA-N 1 2 375.341 4.425 20 0 GIADLO CC(C)c1nc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cs1 ZINC000123864956 823547316 /nfs/dbraw/zinc/54/73/16/823547316.db2.gz JFLRDOVXQNLGBS-UHFFFAOYSA-N 1 2 376.501 4.192 20 0 GIADLO Cc1ccc(CN(Cc2ccco2)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)s1 ZINC000411198274 823556546 /nfs/dbraw/zinc/55/65/46/823556546.db2.gz LXVKZAWNCGRYSC-UHFFFAOYSA-N 1 2 397.500 4.137 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000411201877 823556967 /nfs/dbraw/zinc/55/69/67/823556967.db2.gz MOARBPQFEMPSFC-CQSZACIVSA-N 1 2 393.409 4.184 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)c(C)[nH+]1 ZINC000411224578 823558680 /nfs/dbraw/zinc/55/86/80/823558680.db2.gz LGJYMRPHQCBGBT-OAHLLOKOSA-N 1 2 392.286 4.056 20 0 GIADLO CCn1nccc1C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000124048004 823562961 /nfs/dbraw/zinc/56/29/61/823562961.db2.gz TUVJTNMDZPENMV-UHFFFAOYSA-N 1 2 393.466 4.244 20 0 GIADLO CCn1nccc1C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000124048004 823562962 /nfs/dbraw/zinc/56/29/62/823562962.db2.gz TUVJTNMDZPENMV-UHFFFAOYSA-N 1 2 393.466 4.244 20 0 GIADLO Clc1cc(Br)ccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000060876779 823564304 /nfs/dbraw/zinc/56/43/04/823564304.db2.gz JMPOXENXVGXNHI-UHFFFAOYSA-N 1 2 386.746 4.271 20 0 GIADLO Clc1cc(Br)ccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000060876779 823564308 /nfs/dbraw/zinc/56/43/08/823564308.db2.gz JMPOXENXVGXNHI-UHFFFAOYSA-N 1 2 386.746 4.271 20 0 GIADLO COc1ccc(C[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)c(OC)c1OC ZINC000124091016 823566798 /nfs/dbraw/zinc/56/67/98/823566798.db2.gz PKNIONOZTYVUBU-CYBMUJFWSA-N 1 2 385.489 4.082 20 0 GIADLO Cc1nc(C[NH+]2CCC(c3nc([C@H]4CCO[C@@H]4C(C)(C)C)no3)CC2)cs1 ZINC000190369591 823567021 /nfs/dbraw/zinc/56/70/21/823567021.db2.gz AJLXEDMZPPANJX-IRXDYDNUSA-N 1 2 390.553 4.133 20 0 GIADLO CCC(CC)[C@H](C(=O)Nc1cccc(N2CCCCCC2)c1)[NH+]1CCOCC1 ZINC000461064513 823568556 /nfs/dbraw/zinc/56/85/56/823568556.db2.gz XMSFYSIWDLNFTL-JOCHJYFZSA-N 1 2 387.568 4.143 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)c(C)[nH+]1 ZINC000411418766 823571926 /nfs/dbraw/zinc/57/19/26/823571926.db2.gz NXVJAGAMLTURIZ-UHFFFAOYSA-N 1 2 399.922 4.080 20 0 GIADLO CC(C)(C)c1cc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)no1 ZINC000124152661 823572221 /nfs/dbraw/zinc/57/22/21/823572221.db2.gz MABSZOQVNCSHNJ-QFBILLFUSA-N 1 2 379.464 4.219 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)c(C)[nH+]1 ZINC000411430715 823573377 /nfs/dbraw/zinc/57/33/77/823573377.db2.gz WJRDXQKZZHIZKQ-UHFFFAOYSA-N 1 2 379.382 4.079 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000411431003 823573415 /nfs/dbraw/zinc/57/34/15/823573415.db2.gz SJIAKNOCBAYXHD-ZBFHGGJFSA-N 1 2 387.911 4.249 20 0 GIADLO CCOc1ccc([C@H](C)[NH2+]Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1OC ZINC000411449113 823575613 /nfs/dbraw/zinc/57/56/13/823575613.db2.gz LSKUDGXFXGGEMF-LBPRGKRZSA-N 1 2 387.867 4.247 20 0 GIADLO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCSC[C@H](C)C2)cs1 ZINC000190449110 823575791 /nfs/dbraw/zinc/57/57/91/823575791.db2.gz BEZCIYODFCZKCR-CQSZACIVSA-N 1 2 391.562 4.021 20 0 GIADLO COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCSC[C@H](C)C2)cs1 ZINC000190449110 823575794 /nfs/dbraw/zinc/57/57/94/823575794.db2.gz BEZCIYODFCZKCR-CQSZACIVSA-N 1 2 391.562 4.021 20 0 GIADLO CCSc1ccc([C@H](C)[NH2+]Cc2nc(N)nc(Nc3ccc(F)cc3)n2)cc1 ZINC000411453986 823576422 /nfs/dbraw/zinc/57/64/22/823576422.db2.gz AAYVMINHMWPQPM-ZDUSSCGKSA-N 1 2 398.511 4.130 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NC2(c3c(Cl)cccc3Cl)CC2)c(C)[nH+]1 ZINC000411453569 823576455 /nfs/dbraw/zinc/57/64/55/823576455.db2.gz CCRPRSOTJUSBEK-UHFFFAOYSA-N 1 2 392.286 4.058 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000190454015 823576785 /nfs/dbraw/zinc/57/67/85/823576785.db2.gz CGXMKOOUPHCEIO-NHCUHLMSSA-N 1 2 382.552 4.279 20 0 GIADLO CCCCN(CCCC)C(=O)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000061078736 823577544 /nfs/dbraw/zinc/57/75/44/823577544.db2.gz QMNQQKBMAPXGLJ-UHFFFAOYSA-N 1 2 394.506 4.288 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000461104893 823578243 /nfs/dbraw/zinc/57/82/43/823578243.db2.gz BNJJYNVGMKLULQ-UHFFFAOYSA-N 1 2 381.307 4.169 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)CC(C)(C)c3ccccc3)CCCC2)no1 ZINC000124226924 823579043 /nfs/dbraw/zinc/57/90/43/823579043.db2.gz MEPXZSHBBFYXAT-UHFFFAOYSA-N 1 2 398.551 4.165 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(C(C)C)cc3)CCCC2)no1 ZINC000124245087 823580593 /nfs/dbraw/zinc/58/05/93/823580593.db2.gz KWEFLHYHOMRNIP-UHFFFAOYSA-N 1 2 384.524 4.234 20 0 GIADLO CC1(C)C[C@H]([N@H+](Cc2ccc(S(C)(=O)=O)o2)Cc2ccccc2)C(C)(C)O1 ZINC000411503285 823582064 /nfs/dbraw/zinc/58/20/64/823582064.db2.gz VEQABBRFBVARHZ-SFHVURJKSA-N 1 2 391.533 4.031 20 0 GIADLO CC1(C)C[C@H]([N@@H+](Cc2ccc(S(C)(=O)=O)o2)Cc2ccccc2)C(C)(C)O1 ZINC000411503285 823582065 /nfs/dbraw/zinc/58/20/65/823582065.db2.gz VEQABBRFBVARHZ-SFHVURJKSA-N 1 2 391.533 4.031 20 0 GIADLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2cnc3ccc(C)cc3c2)sc1C ZINC000411658014 823595182 /nfs/dbraw/zinc/59/51/82/823595182.db2.gz KFWWMDPJPHARAE-GOSISDBHSA-N 1 2 381.501 4.432 20 0 GIADLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2cnc3ccc(C)cc3c2)sc1C ZINC000411658014 823595185 /nfs/dbraw/zinc/59/51/85/823595185.db2.gz KFWWMDPJPHARAE-GOSISDBHSA-N 1 2 381.501 4.432 20 0 GIADLO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)c4ccc(O)cc4)CC3)co2)cc1 ZINC000124439282 823596804 /nfs/dbraw/zinc/59/68/04/823596804.db2.gz MAQFZTMNAOXMQH-UHFFFAOYSA-N 1 2 376.456 4.451 20 0 GIADLO O=C(Nc1cc(F)c(F)cc1F)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000124466418 823599110 /nfs/dbraw/zinc/59/91/10/823599110.db2.gz BVDFIDYFPBJYJV-RTBURBONSA-N 1 2 386.377 4.351 20 0 GIADLO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411730740 823600695 /nfs/dbraw/zinc/60/06/95/823600695.db2.gz OZOGLCGSCDMMQW-MAUKXSAKSA-N 1 2 384.476 4.481 20 0 GIADLO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411730740 823600700 /nfs/dbraw/zinc/60/07/00/823600700.db2.gz OZOGLCGSCDMMQW-MAUKXSAKSA-N 1 2 384.476 4.481 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000124516777 823602909 /nfs/dbraw/zinc/60/29/09/823602909.db2.gz GDHJWBYXWBZEAJ-DNVCBOLYSA-N 1 2 396.878 4.447 20 0 GIADLO Fc1cc(Br)ccc1C[N@@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000411784395 823604546 /nfs/dbraw/zinc/60/45/46/823604546.db2.gz KAXVDQGCCZLIMM-QGZVFWFLSA-N 1 2 379.273 4.164 20 0 GIADLO Fc1cc(Br)ccc1C[N@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000411784395 823604548 /nfs/dbraw/zinc/60/45/48/823604548.db2.gz KAXVDQGCCZLIMM-QGZVFWFLSA-N 1 2 379.273 4.164 20 0 GIADLO Cc1nc([C@@](C)([NH2+]CCC(=O)Nc2ccccc2-c2ccccc2)C2CC2)no1 ZINC000411790525 823604926 /nfs/dbraw/zinc/60/49/26/823604926.db2.gz OUXRSNZQHSSSTB-QHCPKHFHSA-N 1 2 390.487 4.289 20 0 GIADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000411816180 823607834 /nfs/dbraw/zinc/60/78/34/823607834.db2.gz HAFMWKPWJIIVCP-ZDUSSCGKSA-N 1 2 382.533 4.320 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000411838638 823610718 /nfs/dbraw/zinc/61/07/18/823610718.db2.gz YZHSVLLMRVZMCZ-UXHICEINSA-N 1 2 379.504 4.130 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411997343 823619636 /nfs/dbraw/zinc/61/96/36/823619636.db2.gz IGCQXGKCFDPIII-VGOFRKELSA-N 1 2 392.499 4.070 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411997343 823619639 /nfs/dbraw/zinc/61/96/39/823619639.db2.gz IGCQXGKCFDPIII-VGOFRKELSA-N 1 2 392.499 4.070 20 0 GIADLO Cc1cc(-c2nnc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)o2)c(C)o1 ZINC000411997999 823619871 /nfs/dbraw/zinc/61/98/71/823619871.db2.gz JYMSLQYTFKAXAU-FQEVSTJZSA-N 1 2 379.460 4.300 20 0 GIADLO Cc1cc(-c2nnc(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)o2)c(C)o1 ZINC000411997999 823619872 /nfs/dbraw/zinc/61/98/72/823619872.db2.gz JYMSLQYTFKAXAU-FQEVSTJZSA-N 1 2 379.460 4.300 20 0 GIADLO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000412061496 823625081 /nfs/dbraw/zinc/62/50/81/823625081.db2.gz HTKRQBAQJNTEHS-HNNXBMFYSA-N 1 2 380.916 4.112 20 0 GIADLO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000412061496 823625084 /nfs/dbraw/zinc/62/50/84/823625084.db2.gz HTKRQBAQJNTEHS-HNNXBMFYSA-N 1 2 380.916 4.112 20 0 GIADLO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000461386876 823627677 /nfs/dbraw/zinc/62/76/77/823627677.db2.gz LUZQYBOHHXLGQV-UHFFFAOYSA-N 1 2 378.850 4.165 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000412128549 823628505 /nfs/dbraw/zinc/62/85/05/823628505.db2.gz NULNOENTRCZMQT-JOCHJYFZSA-N 1 2 394.515 4.055 20 0 GIADLO CC(C)(C)n1cc(C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)nn1 ZINC000190951614 823629480 /nfs/dbraw/zinc/62/94/80/823629480.db2.gz WWVAJZFWJXVXIK-HXUWFJFHSA-N 1 2 392.482 4.053 20 0 GIADLO CC(=O)c1ncc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)s1 ZINC000412144056 823629983 /nfs/dbraw/zinc/62/99/83/823629983.db2.gz FYEYTWPRZKMFFK-UHFFFAOYSA-N 1 2 397.544 4.007 20 0 GIADLO CC(=O)c1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)s1 ZINC000412144056 823629987 /nfs/dbraw/zinc/62/99/87/823629987.db2.gz FYEYTWPRZKMFFK-UHFFFAOYSA-N 1 2 397.544 4.007 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000412146997 823630343 /nfs/dbraw/zinc/63/03/43/823630343.db2.gz GDKLFQMMCAQOFZ-NFBKMPQASA-N 1 2 381.495 4.031 20 0 GIADLO CCc1nc([C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cs1 ZINC000190965004 823631596 /nfs/dbraw/zinc/63/15/96/823631596.db2.gz REGYSLWRJJOBQL-GWCFXTLKSA-N 1 2 384.332 4.468 20 0 GIADLO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124860780 823631930 /nfs/dbraw/zinc/63/19/30/823631930.db2.gz PSOCPQXQCXVBNF-SUMWQHHRSA-N 1 2 384.867 4.223 20 0 GIADLO CC(C)COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)cc1 ZINC000461418220 823632419 /nfs/dbraw/zinc/63/24/19/823632419.db2.gz IYIGACUFCHBDEM-UHFFFAOYSA-N 1 2 388.533 4.246 20 0 GIADLO CC(C)COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)cc1 ZINC000461418220 823632422 /nfs/dbraw/zinc/63/24/22/823632422.db2.gz IYIGACUFCHBDEM-UHFFFAOYSA-N 1 2 388.533 4.246 20 0 GIADLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000124869923 823632674 /nfs/dbraw/zinc/63/26/74/823632674.db2.gz WLTCTVZFPMKGHL-CABCVRRESA-N 1 2 378.480 4.008 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000062414001 823634121 /nfs/dbraw/zinc/63/41/21/823634121.db2.gz VLXMZXLJTHDOKC-UHFFFAOYSA-N 1 2 399.882 4.112 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1-c1nc2ccccc2s1)[NH+]1CCSCC1 ZINC000124901535 823635290 /nfs/dbraw/zinc/63/52/90/823635290.db2.gz RQLYYXKMEBSMBR-AWEZNQCLSA-N 1 2 383.542 4.339 20 0 GIADLO O=C(c1cc(C2CCCCC2)[nH]n1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461450846 823640376 /nfs/dbraw/zinc/64/03/76/823640376.db2.gz RNBBSTCLTLDRCD-SFTDATJTSA-N 1 2 392.547 4.052 20 0 GIADLO O=C(c1cc(C2CCCCC2)[nH]n1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461450846 823640377 /nfs/dbraw/zinc/64/03/77/823640377.db2.gz RNBBSTCLTLDRCD-SFTDATJTSA-N 1 2 392.547 4.052 20 0 GIADLO COc1ccnc(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)c1OC ZINC000191045984 823641775 /nfs/dbraw/zinc/64/17/75/823641775.db2.gz KIDPTVDRGQLDOF-LJQANCHMSA-N 1 2 382.435 4.148 20 0 GIADLO C[NH+](C)[C@@H](C(=O)Nc1ccc(Br)c(F)c1)c1cccc(Cl)c1 ZINC000461499878 823649279 /nfs/dbraw/zinc/64/92/79/823649279.db2.gz XGDUYYAJSWGVNN-OAHLLOKOSA-N 1 2 385.664 4.483 20 0 GIADLO Cn1c(C[NH2+][C@H]2CCOc3c(F)cccc32)nc2cc(C(F)(F)F)ccc21 ZINC000191121566 823651449 /nfs/dbraw/zinc/65/14/49/823651449.db2.gz FVSOYHWHNNXQRH-AWEZNQCLSA-N 1 2 379.357 4.345 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)cs1)c1cccc(C)c1C ZINC000191186525 823657464 /nfs/dbraw/zinc/65/74/64/823657464.db2.gz FCLJACYZBKPLQV-HUUCEWRRSA-N 1 2 387.549 4.178 20 0 GIADLO CCC(=O)c1ccc(OCCCCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000125321658 823667771 /nfs/dbraw/zinc/66/77/71/823667771.db2.gz JSBANOGKMLEESY-GHTZIAJQSA-N 1 2 397.519 4.135 20 0 GIADLO c1csc(-c2noc(C[N@@H+](CCc3ccccc3)Cc3cccnc3)n2)c1 ZINC000191345391 823674566 /nfs/dbraw/zinc/67/45/66/823674566.db2.gz ZHZQOZBAJJKXNP-UHFFFAOYSA-N 1 2 376.485 4.438 20 0 GIADLO c1csc(-c2noc(C[N@H+](CCc3ccccc3)Cc3cccnc3)n2)c1 ZINC000191345391 823674567 /nfs/dbraw/zinc/67/45/67/823674567.db2.gz ZHZQOZBAJJKXNP-UHFFFAOYSA-N 1 2 376.485 4.438 20 0 GIADLO CC(C)c1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2cnn(C(C)C)c2n1 ZINC000125419060 823674703 /nfs/dbraw/zinc/67/47/03/823674703.db2.gz HNZIMSSEQYSIPZ-OXQOHEQNSA-N 1 2 394.523 4.055 20 0 GIADLO Cn1cc(CCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c2ccccc21 ZINC000125461839 823678093 /nfs/dbraw/zinc/67/80/93/823678093.db2.gz VOMVBQISSBTQBN-UHFFFAOYSA-N 1 2 382.533 4.192 20 0 GIADLO Cc1cc(N)nc(SCc2cc(Br)ccc2OC(F)F)[nH+]1 ZINC000063561651 823679602 /nfs/dbraw/zinc/67/96/02/823679602.db2.gz IWCZFOBDCJMOOC-UHFFFAOYSA-N 1 2 376.226 4.023 20 0 GIADLO Cc1ccc(CCCCC(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC000063599126 823682288 /nfs/dbraw/zinc/68/22/88/823682288.db2.gz ALSFXSFYTWLQLN-UHFFFAOYSA-N 1 2 379.548 4.094 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccn3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000125596517 823688544 /nfs/dbraw/zinc/68/85/44/823688544.db2.gz GFBDKJDBRKXILY-APWZRJJASA-N 1 2 378.501 4.153 20 0 GIADLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000063730218 823692520 /nfs/dbraw/zinc/69/25/20/823692520.db2.gz HVMQSJINGJEIOS-UHFFFAOYSA-N 1 2 392.528 4.201 20 0 GIADLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000063730218 823692521 /nfs/dbraw/zinc/69/25/21/823692521.db2.gz HVMQSJINGJEIOS-UHFFFAOYSA-N 1 2 392.528 4.201 20 0 GIADLO C[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000461790074 823695683 /nfs/dbraw/zinc/69/56/83/823695683.db2.gz GVVVCMFWMKUERM-OAHLLOKOSA-N 1 2 398.304 4.114 20 0 GIADLO c1ccc(-n2c(C[NH+]3CCCC3)nnc2SCCOCC2CCCC2)cc1 ZINC000412986066 823697916 /nfs/dbraw/zinc/69/79/16/823697916.db2.gz SYUBJYHFZRIXHH-UHFFFAOYSA-N 1 2 386.565 4.162 20 0 GIADLO COc1ccc(-c2nnc(SCc3ccc(-n4cc[nH+]c4)cc3C)n2C)cc1 ZINC000191545262 823698102 /nfs/dbraw/zinc/69/81/02/823698102.db2.gz FJCMJEYSCHBFNP-UHFFFAOYSA-N 1 2 391.500 4.277 20 0 GIADLO CC(C)OCCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000125705891 823698474 /nfs/dbraw/zinc/69/84/74/823698474.db2.gz YYEUOCCMNSGCPK-AWEZNQCLSA-N 1 2 382.961 4.451 20 0 GIADLO COc1ccc(-c2ccc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c(F)c2)cc1 ZINC000125709109 823698812 /nfs/dbraw/zinc/69/88/12/823698812.db2.gz HBGWVYIYWCBSMD-OPAMFIHVSA-N 1 2 393.462 4.421 20 0 GIADLO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1Cl ZINC000191567998 823701252 /nfs/dbraw/zinc/70/12/52/823701252.db2.gz CKEVFYIGZVIAPO-STQMWFEESA-N 1 2 378.904 4.397 20 0 GIADLO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000191581699 823704168 /nfs/dbraw/zinc/70/41/68/823704168.db2.gz KCQWQKIREQKLMA-LSDHHAIUSA-N 1 2 386.496 4.194 20 0 GIADLO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000191583773 823704483 /nfs/dbraw/zinc/70/44/83/823704483.db2.gz ITKFJJKZTNRVRZ-STQMWFEESA-N 1 2 392.887 4.014 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000125756408 823704960 /nfs/dbraw/zinc/70/49/60/823704960.db2.gz CAKGVURHKBJDJI-SCFUHWHPSA-N 1 2 378.303 4.403 20 0 GIADLO CN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000413124436 823711203 /nfs/dbraw/zinc/71/12/03/823711203.db2.gz ORDCFNKRFPRALI-SFTDATJTSA-N 1 2 380.536 4.130 20 0 GIADLO C[N@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)[C@H]1CCCOC1 ZINC000574379831 823714617 /nfs/dbraw/zinc/71/46/17/823714617.db2.gz USAHXDZIJCPRCR-LBPRGKRZSA-N 1 2 389.908 4.328 20 0 GIADLO C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)[C@H]1CCCOC1 ZINC000574379831 823714620 /nfs/dbraw/zinc/71/46/20/823714620.db2.gz USAHXDZIJCPRCR-LBPRGKRZSA-N 1 2 389.908 4.328 20 0 GIADLO CCc1c(NC(=O)NCc2ccn3cc[nH+]c3c2)cnn1-c1cccc(Cl)c1 ZINC000191619041 823715449 /nfs/dbraw/zinc/71/54/49/823715449.db2.gz VWSBUEGMORMAHM-UHFFFAOYSA-N 1 2 394.866 4.058 20 0 GIADLO COc1ccc(-c2cnc(CCC(=O)Nc3cccc(-n4cc[nH+]c4)c3)o2)cc1 ZINC000063936892 823715642 /nfs/dbraw/zinc/71/56/42/823715642.db2.gz PWUYTNRBUWOXBA-UHFFFAOYSA-N 1 2 388.427 4.107 20 0 GIADLO Clc1ccc(-c2ncc(C[NH2+]Cc3nncn3-c3ccccc3)s2)cc1 ZINC000574386426 823716301 /nfs/dbraw/zinc/71/63/01/823716301.db2.gz WDYROSWBBAIRGI-UHFFFAOYSA-N 1 2 381.892 4.334 20 0 GIADLO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000191626936 823718115 /nfs/dbraw/zinc/71/81/15/823718115.db2.gz PGFMIBQMRUHZCK-UHFFFAOYSA-N 1 2 396.491 4.162 20 0 GIADLO COc1cc(C[NH2+]Cc2c(Cl)cccc2OC)c(Br)cc1O ZINC000191632889 823720105 /nfs/dbraw/zinc/72/01/05/823720105.db2.gz LDZANOIQQMTRQR-UHFFFAOYSA-N 1 2 386.673 4.115 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2cccc(C3CC3)c2)C[C@H](C)O1 ZINC000413179698 823722506 /nfs/dbraw/zinc/72/25/06/823722506.db2.gz OLFPJPCOWMXTFR-ROUUACIJSA-N 1 2 378.516 4.354 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ncc(I)s1 ZINC000574409677 823722485 /nfs/dbraw/zinc/72/24/85/823722485.db2.gz WFZRSVDLEOWIBX-DGCLKSJQSA-N 1 2 384.286 4.126 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ncc(I)s1 ZINC000574409677 823722488 /nfs/dbraw/zinc/72/24/88/823722488.db2.gz WFZRSVDLEOWIBX-DGCLKSJQSA-N 1 2 384.286 4.126 20 0 GIADLO CC(C)c1nc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cs1 ZINC000191645793 823723149 /nfs/dbraw/zinc/72/31/49/823723149.db2.gz HCYAVJUUINOURJ-GUYCJALGSA-N 1 2 393.503 4.387 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000574414159 823723098 /nfs/dbraw/zinc/72/30/98/823723098.db2.gz NPNYCLPEQXWNSK-JEBQAFNWSA-N 1 2 379.426 4.402 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000574414159 823723100 /nfs/dbraw/zinc/72/31/00/823723100.db2.gz NPNYCLPEQXWNSK-JEBQAFNWSA-N 1 2 379.426 4.402 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)C[C@H](C)O1 ZINC000413184637 823723485 /nfs/dbraw/zinc/72/34/85/823723485.db2.gz YOVMSYGUIDBCSP-XLJIZYSNSA-N 1 2 382.479 4.119 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)C[C@H](C)O1 ZINC000413184637 823723489 /nfs/dbraw/zinc/72/34/89/823723489.db2.gz YOVMSYGUIDBCSP-XLJIZYSNSA-N 1 2 382.479 4.119 20 0 GIADLO C[C@@H]1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)C[C@@H]1n1cc[nH+]c1 ZINC000125870549 823733554 /nfs/dbraw/zinc/73/35/54/823733554.db2.gz JSFHQWRPGHVQOI-DYVFJYSZSA-N 1 2 386.908 4.383 20 0 GIADLO COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3-n3cc[nH+]c3)o2)cc1 ZINC000064033514 823737809 /nfs/dbraw/zinc/73/78/09/823737809.db2.gz QWPKMESVOCSODM-UHFFFAOYSA-N 1 2 388.427 4.107 20 0 GIADLO C[C@@H]1C[C@@]2(CCO1)CN(c1[nH+]ccc3cc(Br)ccc31)C[C@H](C)O2 ZINC000413261291 823740721 /nfs/dbraw/zinc/74/07/21/823740721.db2.gz DSESYHNDAWURHR-TYILLQQXSA-N 1 2 391.309 4.160 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N2CC[C@H](OCc3ccncc3)C2)c1 ZINC000413262993 823741249 /nfs/dbraw/zinc/74/12/49/823741249.db2.gz MHRHESRUBLQXLB-KRWDZBQOSA-N 1 2 384.277 4.188 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccc(Cl)c1Br ZINC000191738205 823752048 /nfs/dbraw/zinc/75/20/48/823752048.db2.gz DOEJWRYNHDIARJ-UHFFFAOYSA-N 1 2 379.645 4.072 20 0 GIADLO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3csc(-c4cccs4)n3)C2=O)cc1 ZINC000191801691 823772964 /nfs/dbraw/zinc/77/29/64/823772964.db2.gz GWKWBXNWMXGLIP-QGZVFWFLSA-N 1 2 383.542 4.071 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCSCC[C@H]2C)cs1)c1ccc(C)cc1 ZINC000191819808 823781155 /nfs/dbraw/zinc/78/11/55/823781155.db2.gz YZWHTDVOHVDDTE-OAHLLOKOSA-N 1 2 375.563 4.464 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCSCC[C@H]2C)cs1)c1ccc(C)cc1 ZINC000191819808 823781163 /nfs/dbraw/zinc/78/11/63/823781163.db2.gz YZWHTDVOHVDDTE-OAHLLOKOSA-N 1 2 375.563 4.464 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCCN2Cc2c[nH+]c(C)n2-c2ccccc2)n1 ZINC000191829900 823788152 /nfs/dbraw/zinc/78/81/52/823788152.db2.gz BHCWVKGJKUYVIZ-IBGZPJMESA-N 1 2 396.516 4.151 20 0 GIADLO CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H](C)Cc1ccsc1 ZINC000462004658 823791760 /nfs/dbraw/zinc/79/17/60/823791760.db2.gz RMJXEGRGGZLZNU-QGZVFWFLSA-N 1 2 382.533 4.156 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCSc1ccc(F)cc1 ZINC000126117364 823792325 /nfs/dbraw/zinc/79/23/25/823792325.db2.gz NRNLEPJYJKXETN-UHFFFAOYSA-N 1 2 388.508 4.087 20 0 GIADLO CCCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000462008464 823792578 /nfs/dbraw/zinc/79/25/78/823792578.db2.gz OOORTEZNEOWQKC-RTWAWAEBSA-N 1 2 398.551 4.057 20 0 GIADLO CCO[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1(CC)CC ZINC000462011091 823793938 /nfs/dbraw/zinc/79/39/38/823793938.db2.gz TZONCWITWHAPNA-LEWJYISDSA-N 1 2 398.551 4.057 20 0 GIADLO CC(C)(C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1)c1ccc(Br)cc1 ZINC000574672344 823796395 /nfs/dbraw/zinc/79/63/95/823796395.db2.gz YASUMIWCIPBWNY-QGZVFWFLSA-N 1 2 385.309 4.224 20 0 GIADLO CC(C)(C)c1ccncc1CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000413569809 823798255 /nfs/dbraw/zinc/79/82/55/823798255.db2.gz NQIZHQKKZVXTEC-UHFFFAOYSA-N 1 2 397.910 4.218 20 0 GIADLO Cc1sc2nc([C@@H](C)[NH+]3CCC([C@H](O)c4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000164406927 823801067 /nfs/dbraw/zinc/80/10/67/823801067.db2.gz VBEDNXUHXHZATG-AUUYWEPGSA-N 1 2 397.544 4.108 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000126153398 823800984 /nfs/dbraw/zinc/80/09/84/823800984.db2.gz MZARWASLNJUZDN-RXVVDRJESA-N 1 2 381.520 4.154 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000126156915 823801882 /nfs/dbraw/zinc/80/18/82/823801882.db2.gz DEMMABNRVGDRNP-UHFFFAOYSA-N 1 2 392.499 4.371 20 0 GIADLO Cc1cc(C)c(CNC(=O)NCc2cccc(Br)c2Cl)c[nH+]1 ZINC000413597310 823802451 /nfs/dbraw/zinc/80/24/51/823802451.db2.gz AAZWTKMPWYENAU-UHFFFAOYSA-N 1 2 382.689 4.114 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(Br)ccc1F ZINC000191894484 823806247 /nfs/dbraw/zinc/80/62/47/823806247.db2.gz YUFDNXWVQIYYLN-UHFFFAOYSA-N 1 2 397.292 4.291 20 0 GIADLO CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126193893 823809824 /nfs/dbraw/zinc/80/98/24/823809824.db2.gz KDUKUPXTYBFEDA-GOSISDBHSA-N 1 2 396.531 4.358 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1sc(C)nc1CC(C)C ZINC000191916097 823811104 /nfs/dbraw/zinc/81/11/04/823811104.db2.gz RQQOWVLFEARRFU-UHFFFAOYSA-N 1 2 377.558 4.353 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC000191917215 823811310 /nfs/dbraw/zinc/81/13/10/823811310.db2.gz VWBZHRIBCRLEDB-UHFFFAOYSA-N 1 2 381.480 4.353 20 0 GIADLO CC(C)OC(=O)Cc1nc(C[NH+]2CCC(c3cccc(F)c3F)CC2)cs1 ZINC000574736861 823813986 /nfs/dbraw/zinc/81/39/86/823813986.db2.gz SBYGDOARDKAYOL-UHFFFAOYSA-N 1 2 394.487 4.295 20 0 GIADLO CC[N@H+](Cc1csc(CC(=O)OC(C)C)n1)[C@H](C)c1cccc(OC)c1 ZINC000064432092 823818192 /nfs/dbraw/zinc/81/81/92/823818192.db2.gz QYOQZVVEVMNAOY-OAHLLOKOSA-N 1 2 376.522 4.229 20 0 GIADLO CC[N@@H+](Cc1csc(CC(=O)OC(C)C)n1)[C@H](C)c1cccc(OC)c1 ZINC000064432092 823818199 /nfs/dbraw/zinc/81/81/99/823818199.db2.gz QYOQZVVEVMNAOY-OAHLLOKOSA-N 1 2 376.522 4.229 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000413712077 823823467 /nfs/dbraw/zinc/82/34/67/823823467.db2.gz LFTKIOJXEKIWGL-LMMKCTJWSA-N 1 2 386.927 4.299 20 0 GIADLO CC(C)(C)OC1CC[NH+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000164913043 823825126 /nfs/dbraw/zinc/82/51/26/823825126.db2.gz BDUULLKNHDEDMB-UHFFFAOYSA-N 1 2 381.582 4.037 20 0 GIADLO CC[C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CC(F)(F)F ZINC000413735574 823828169 /nfs/dbraw/zinc/82/81/69/823828169.db2.gz IQQKYOJLHFKNQY-GJZGRUSLSA-N 1 2 386.462 4.087 20 0 GIADLO CC[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)CC(F)(F)F ZINC000413740894 823829789 /nfs/dbraw/zinc/82/97/89/823829789.db2.gz NVZCBYCVVAQMLD-AWEZNQCLSA-N 1 2 386.462 4.087 20 0 GIADLO CC(=Cc1ccccc1OC(F)F)C[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000574798478 823829874 /nfs/dbraw/zinc/82/98/74/823829874.db2.gz MPBDODDSTCKLHQ-RAXLEYEMSA-N 1 2 388.393 4.405 20 0 GIADLO CC(=Cc1ccccc1OC(F)F)C[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000574798478 823829881 /nfs/dbraw/zinc/82/98/81/823829881.db2.gz MPBDODDSTCKLHQ-RAXLEYEMSA-N 1 2 388.393 4.405 20 0 GIADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(Br)c(F)cc1F ZINC000192003794 823833402 /nfs/dbraw/zinc/83/34/02/823833402.db2.gz PQSUNXIWERXJAP-UHFFFAOYSA-N 1 2 378.176 4.370 20 0 GIADLO Cc1ccc(NC(=O)C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c(C)c1 ZINC000165113910 823834831 /nfs/dbraw/zinc/83/48/31/823834831.db2.gz QSRSZUJLCNBQEY-QHCPKHFHSA-N 1 2 387.483 4.212 20 0 GIADLO CC(C)CO[C@H](C)c1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192036604 823839450 /nfs/dbraw/zinc/83/94/50/823839450.db2.gz KXCWIQWXWJOTBW-RPVQJOFSSA-N 1 2 379.888 4.076 20 0 GIADLO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000413777147 823839771 /nfs/dbraw/zinc/83/97/71/823839771.db2.gz DTYLLZFHPCONFP-KCLUMXDGSA-N 1 2 380.536 4.282 20 0 GIADLO C[C@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC(F)(F)F ZINC000413783768 823841115 /nfs/dbraw/zinc/84/11/15/823841115.db2.gz ZKZMHAFRDJUNAY-SOUVJXGZSA-N 1 2 387.446 4.006 20 0 GIADLO C[C@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC(F)(F)F ZINC000413783768 823841123 /nfs/dbraw/zinc/84/11/23/823841123.db2.gz ZKZMHAFRDJUNAY-SOUVJXGZSA-N 1 2 387.446 4.006 20 0 GIADLO Brc1ccc(-c2nnc(C[NH2+][C@H](c3cccnc3)C3CCC3)[nH]2)cc1 ZINC000574858206 823845495 /nfs/dbraw/zinc/84/54/95/823845495.db2.gz QWPDMPCLROTAMJ-SFHVURJKSA-N 1 2 398.308 4.260 20 0 GIADLO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000064632209 823855083 /nfs/dbraw/zinc/85/50/83/823855083.db2.gz JQIZOKFZYQXLKB-UHFFFAOYSA-N 1 2 382.504 4.102 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccccc2OC2CCC2)CC1 ZINC000462181554 823857615 /nfs/dbraw/zinc/85/76/15/823857615.db2.gz YKVRTBUUVVVOGM-KRWDZBQOSA-N 1 2 399.560 4.268 20 0 GIADLO C[C@H]1CCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126412257 823860555 /nfs/dbraw/zinc/86/05/55/823860555.db2.gz CFWRTGOOHJWAJA-YOEHRIQHSA-N 1 2 379.426 4.289 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)C[C@@H]2CCCOC2)cs1)c1cccc(Cl)c1 ZINC000165744609 823861912 /nfs/dbraw/zinc/86/19/12/823861912.db2.gz NERCGDIXAOAXLF-HNNXBMFYSA-N 1 2 393.940 4.340 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)C[C@@H]2CCCOC2)cs1)c1cccc(Cl)c1 ZINC000165744609 823861914 /nfs/dbraw/zinc/86/19/14/823861914.db2.gz NERCGDIXAOAXLF-HNNXBMFYSA-N 1 2 393.940 4.340 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000126424791 823863761 /nfs/dbraw/zinc/86/37/61/823863761.db2.gz PIGIQPAVZCTYOR-OALUTQOASA-N 1 2 383.561 4.320 20 0 GIADLO COC[C@@H]1CCC[N@H+](Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)C1 ZINC000165851834 823864383 /nfs/dbraw/zinc/86/43/83/823864383.db2.gz YFUJXOKKXDBRFD-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO COC[C@@H]1CCC[N@@H+](Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)C1 ZINC000165851834 823864388 /nfs/dbraw/zinc/86/43/88/823864388.db2.gz YFUJXOKKXDBRFD-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000574948762 823869019 /nfs/dbraw/zinc/86/90/19/823869019.db2.gz QEWYLWOZGKUUPT-KUHUBIRLSA-N 1 2 385.427 4.184 20 0 GIADLO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000574963627 823874293 /nfs/dbraw/zinc/87/42/93/823874293.db2.gz HRAOMWGOBIIAKK-CQSZACIVSA-N 1 2 382.851 4.270 20 0 GIADLO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1nc(Cc2ccccc2)no1 ZINC000192137890 823874999 /nfs/dbraw/zinc/87/49/99/823874999.db2.gz CWMXCKGDJHKJON-CYFNAFFESA-N 1 2 385.414 4.119 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cs1)c1cccc(C)c1C ZINC000166372974 823876817 /nfs/dbraw/zinc/87/68/17/823876817.db2.gz KAHDQKSCUFXMEZ-OAQYLSRUSA-N 1 2 385.533 4.057 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@]3(CCOC3)C2)cs1)c1cccc(C)c1C ZINC000166372974 823876822 /nfs/dbraw/zinc/87/68/22/823876822.db2.gz KAHDQKSCUFXMEZ-OAQYLSRUSA-N 1 2 385.533 4.057 20 0 GIADLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1F ZINC000462230181 823884221 /nfs/dbraw/zinc/88/42/21/823884221.db2.gz ZFNKAJCGCJGTCE-CVEARBPZSA-N 1 2 375.513 4.345 20 0 GIADLO O=C(NC1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1)c1cccs1 ZINC000064802521 823888111 /nfs/dbraw/zinc/88/81/11/823888111.db2.gz SXNNOMRCZZNHDD-UHFFFAOYSA-N 1 2 389.571 4.328 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCc2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000575026284 823892605 /nfs/dbraw/zinc/89/26/05/823892605.db2.gz NTQWZEQQJIODAO-NZQKXSOJSA-N 1 2 397.519 4.009 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCc2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000575026284 823892609 /nfs/dbraw/zinc/89/26/09/823892609.db2.gz NTQWZEQQJIODAO-NZQKXSOJSA-N 1 2 397.519 4.009 20 0 GIADLO C[C@@H]1CCN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126543004 823894422 /nfs/dbraw/zinc/89/44/22/823894422.db2.gz DHNPMLUKOLEFBL-PBHICJAKSA-N 1 2 390.325 4.033 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC2(CCC2)c2c1cccc2F ZINC000575032740 823894876 /nfs/dbraw/zinc/89/48/76/823894876.db2.gz XEUVKCZGTGDSMI-UHFFFAOYSA-N 1 2 375.447 4.082 20 0 GIADLO CC(C)OCc1c2ccccc2oc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000126565384 823899999 /nfs/dbraw/zinc/89/99/99/823899999.db2.gz JFSVUAHQFXKMHQ-QFBILLFUSA-N 1 2 381.476 4.278 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2-n2cccc2)C1 ZINC000126568235 823901273 /nfs/dbraw/zinc/90/12/73/823901273.db2.gz VRFGDPOSWXFZLC-MRXNPFEDSA-N 1 2 397.910 4.351 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2c(C)cc(Br)cc2C)s1 ZINC000414075610 823902359 /nfs/dbraw/zinc/90/23/59/823902359.db2.gz OBHGDPINAPSITN-LLVKDONJSA-N 1 2 383.311 4.160 20 0 GIADLO O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000575067884 823903994 /nfs/dbraw/zinc/90/39/94/823903994.db2.gz IRTIDCONPZXVAS-HNNXBMFYSA-N 1 2 376.391 4.416 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000414084958 823905506 /nfs/dbraw/zinc/90/55/06/823905506.db2.gz YGMRHKBNBKJGER-QWRGUYRKSA-N 1 2 388.411 4.283 20 0 GIADLO Cc1c(CNc2ccc([N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)c(=O)n(-c2ccccc2)n1C ZINC000192216095 823905831 /nfs/dbraw/zinc/90/58/31/823905831.db2.gz QEWIPTIUAFZPBG-PGRDOPGGSA-N 1 2 388.515 4.085 20 0 GIADLO Cc1c(CNc2ccc([N@H+]3C[C@H]4CC[C@@H]3C4)cc2)c(=O)n(-c2ccccc2)n1C ZINC000192216095 823905833 /nfs/dbraw/zinc/90/58/33/823905833.db2.gz QEWIPTIUAFZPBG-PGRDOPGGSA-N 1 2 388.515 4.085 20 0 GIADLO O=C(NCC(F)(F)c1ccc(Cl)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000575080943 823906899 /nfs/dbraw/zinc/90/68/99/823906899.db2.gz DDOXGLQOJZUHDY-UHFFFAOYSA-N 1 2 375.806 4.107 20 0 GIADLO COC(=O)c1cnc([C@H](C)Nc2cccc3c2CN(c2cccc[nH+]2)C3)s1 ZINC000414090854 823907036 /nfs/dbraw/zinc/90/70/36/823907036.db2.gz CWMFGUPOUPCFNJ-ZDUSSCGKSA-N 1 2 380.473 4.018 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(Cl)nc2Cl)C[C@H](C)O1 ZINC000064918374 823912613 /nfs/dbraw/zinc/91/26/13/823912613.db2.gz UXPNAYRVBPOQJR-BETUJISGSA-N 1 2 394.302 4.250 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(Cl)nc2Cl)C[C@H](C)O1 ZINC000064918374 823912616 /nfs/dbraw/zinc/91/26/16/823912616.db2.gz UXPNAYRVBPOQJR-BETUJISGSA-N 1 2 394.302 4.250 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)s1 ZINC000414116077 823912802 /nfs/dbraw/zinc/91/28/02/823912802.db2.gz QCPDDTSEODOPFC-NEPJUHHUSA-N 1 2 378.469 4.269 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000192252866 823917760 /nfs/dbraw/zinc/91/77/60/823917760.db2.gz VISWSFZQZWNSEA-UHFFFAOYSA-N 1 2 382.533 4.430 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(C)c1Br ZINC000192256309 823919026 /nfs/dbraw/zinc/91/90/26/823919026.db2.gz AFYAJQTYTNWVBK-UHFFFAOYSA-N 1 2 378.314 4.069 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(Cc2ccccc2)n1 ZINC000192257213 823919373 /nfs/dbraw/zinc/91/93/73/823919373.db2.gz UOMXEGQVZIWDMH-UHFFFAOYSA-N 1 2 382.533 4.045 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000192260580 823920424 /nfs/dbraw/zinc/92/04/24/823920424.db2.gz JRJBDAJUFDIAHT-UHFFFAOYSA-N 1 2 384.307 4.070 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1ccccc1Br ZINC000192260743 823921136 /nfs/dbraw/zinc/92/11/36/823921136.db2.gz FVPVKVYRYSHZDC-UHFFFAOYSA-N 1 2 392.341 4.079 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CCCOc2cccc(Cl)c2Cl)c1C ZINC000064997522 823922736 /nfs/dbraw/zinc/92/27/36/823922736.db2.gz TXTZWWJQHFKBDM-UHFFFAOYSA-N 1 2 397.302 4.489 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(Br)cc1Br ZINC000414179685 823923833 /nfs/dbraw/zinc/92/38/33/823923833.db2.gz LNAQOAZPZUGQCA-ZJUUUORDSA-N 1 2 387.119 4.357 20 0 GIADLO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2nc3c(s2)CCCC3)c1 ZINC000414209961 823929901 /nfs/dbraw/zinc/92/99/01/823929901.db2.gz LUZRAWDWHGGTFW-GFCCVEGCSA-N 1 2 398.981 4.320 20 0 GIADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1 ZINC000462341615 823931821 /nfs/dbraw/zinc/93/18/21/823931821.db2.gz PSAKYGQYXUUWDT-OAHLLOKOSA-N 1 2 375.476 4.269 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000192283971 823932715 /nfs/dbraw/zinc/93/27/15/823932715.db2.gz SVWJUTMTQGPFJC-UHFFFAOYSA-N 1 2 398.511 4.032 20 0 GIADLO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)CCCO2 ZINC000414226928 823933713 /nfs/dbraw/zinc/93/37/13/823933713.db2.gz CGUOPIKRNZFQAI-QGZVFWFLSA-N 1 2 379.909 4.055 20 0 GIADLO FC(F)(F)c1ccnc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)n1 ZINC000414237203 823936645 /nfs/dbraw/zinc/93/66/45/823936645.db2.gz JBPAYBNLCNTLTH-OAHLLOKOSA-N 1 2 386.215 4.499 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1c(OC)ccc2ccccc21 ZINC000192294398 823937226 /nfs/dbraw/zinc/93/72/26/823937226.db2.gz BIIFBTGQDFZUTO-UHFFFAOYSA-N 1 2 394.519 4.229 20 0 GIADLO C[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1cc(Cl)ccc1OC(F)F ZINC000414249216 823940962 /nfs/dbraw/zinc/94/09/62/823940962.db2.gz WXWUHLAEKPNJBC-LLVKDONJSA-N 1 2 389.851 4.196 20 0 GIADLO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000414263168 823945314 /nfs/dbraw/zinc/94/53/14/823945314.db2.gz SJNWEJXLYWNLLS-JTQLQIEISA-N 1 2 379.304 4.287 20 0 GIADLO CC(C)c1c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1ccccc1 ZINC000192334415 823949417 /nfs/dbraw/zinc/94/94/17/823949417.db2.gz OGJPNRQBTWWDEM-PXNSSMCTSA-N 1 2 392.507 4.307 20 0 GIADLO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)cn1 ZINC000126780822 823949634 /nfs/dbraw/zinc/94/96/34/823949634.db2.gz KADUCXVZRGGWLG-HNNXBMFYSA-N 1 2 398.942 4.321 20 0 GIADLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)cc(F)c3)c2C1 ZINC000462378381 823949883 /nfs/dbraw/zinc/94/98/83/823949883.db2.gz CXLXAHBXIOMYKC-ZDUSSCGKSA-N 1 2 380.460 4.126 20 0 GIADLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)cc(F)c3)c2C1 ZINC000462378381 823949895 /nfs/dbraw/zinc/94/98/95/823949895.db2.gz CXLXAHBXIOMYKC-ZDUSSCGKSA-N 1 2 380.460 4.126 20 0 GIADLO Cc1ccc(C[N@H+](Cc2nc(N)nc(Nc3ccccc3C)n2)C(C)C)s1 ZINC000065162121 823955062 /nfs/dbraw/zinc/95/50/62/823955062.db2.gz POYCYOVTOVRUMR-UHFFFAOYSA-N 1 2 382.537 4.286 20 0 GIADLO Cc1ccc(C[N@@H+](Cc2nc(N)nc(Nc3ccccc3C)n2)C(C)C)s1 ZINC000065162121 823955071 /nfs/dbraw/zinc/95/50/71/823955071.db2.gz POYCYOVTOVRUMR-UHFFFAOYSA-N 1 2 382.537 4.286 20 0 GIADLO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1c(Br)cncc1Br ZINC000414324513 823958355 /nfs/dbraw/zinc/95/83/55/823958355.db2.gz IQAVFENKIWNOTO-AWEZNQCLSA-N 1 2 398.098 4.089 20 0 GIADLO Clc1ncccc1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000170742841 823958950 /nfs/dbraw/zinc/95/89/50/823958950.db2.gz HHAPQHHGYOINEQ-UHFFFAOYSA-N 1 2 399.951 4.263 20 0 GIADLO C[C@@H](c1nnc(SCc2cccnc2Cl)n1-c1ccc(F)cc1)[NH+](C)C ZINC000170742818 823959028 /nfs/dbraw/zinc/95/90/28/823959028.db2.gz MOMRIWWUYMILOH-LBPRGKRZSA-N 1 2 391.903 4.370 20 0 GIADLO CC(C)Oc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c(Cl)c1 ZINC000575362897 823962126 /nfs/dbraw/zinc/96/21/26/823962126.db2.gz MFYQNPIYFHHSAA-SUMWQHHRSA-N 1 2 377.872 4.103 20 0 GIADLO CC(C)Oc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c(Cl)c1 ZINC000575362897 823962134 /nfs/dbraw/zinc/96/21/34/823962134.db2.gz MFYQNPIYFHHSAA-SUMWQHHRSA-N 1 2 377.872 4.103 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000192386531 823967362 /nfs/dbraw/zinc/96/73/62/823967362.db2.gz UYBANNFNNKRQLF-HNNXBMFYSA-N 1 2 391.585 4.382 20 0 GIADLO Cc1ccccc1C[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1ccccn1 ZINC000575410417 823967584 /nfs/dbraw/zinc/96/75/84/823967584.db2.gz SIZWLSBFNYWJSM-UHFFFAOYSA-N 1 2 393.453 4.192 20 0 GIADLO Cc1ccccc1C[N@@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1ccccn1 ZINC000575410417 823967594 /nfs/dbraw/zinc/96/75/94/823967594.db2.gz SIZWLSBFNYWJSM-UHFFFAOYSA-N 1 2 393.453 4.192 20 0 GIADLO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C)nn1 ZINC000414374850 823967845 /nfs/dbraw/zinc/96/78/45/823967845.db2.gz WSSQYHNFZYZRQK-CQSZACIVSA-N 1 2 380.414 4.043 20 0 GIADLO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C)nn1 ZINC000414374850 823967853 /nfs/dbraw/zinc/96/78/53/823967853.db2.gz WSSQYHNFZYZRQK-CQSZACIVSA-N 1 2 380.414 4.043 20 0 GIADLO CSCCc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000170830212 823983353 /nfs/dbraw/zinc/98/33/53/823983353.db2.gz WFCZQRQEHSVROA-UHFFFAOYSA-N 1 2 394.544 4.201 20 0 GIADLO Cc1cccc(OCCC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000126930878 823983924 /nfs/dbraw/zinc/98/39/24/823983924.db2.gz SXQMZCJKXCRJLG-KDURUIRLSA-N 1 2 382.504 4.012 20 0 GIADLO Cc1cccc(OCCC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000126930878 823983927 /nfs/dbraw/zinc/98/39/27/823983927.db2.gz SXQMZCJKXCRJLG-KDURUIRLSA-N 1 2 382.504 4.012 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000192422997 823985517 /nfs/dbraw/zinc/98/55/17/823985517.db2.gz ONJRGYXWNYAVCU-LLVKDONJSA-N 1 2 385.270 4.353 20 0 GIADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192463478 824000885 /nfs/dbraw/zinc/00/08/85/824000885.db2.gz ZVRZEZMEUQIAMC-OAHLLOKOSA-N 1 2 386.442 4.195 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192466039 824002269 /nfs/dbraw/zinc/00/22/69/824002269.db2.gz MXWHRFFFBJMWND-UHFFFAOYSA-N 1 2 396.506 4.484 20 0 GIADLO Cc1oc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1C1CC1 ZINC000575841446 824009843 /nfs/dbraw/zinc/00/98/43/824009843.db2.gz QZHJEAGWCOYHPJ-NVXWUHKLSA-N 1 2 392.862 4.220 20 0 GIADLO Cc1oc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1C1CC1 ZINC000575841446 824009850 /nfs/dbraw/zinc/00/98/50/824009850.db2.gz QZHJEAGWCOYHPJ-NVXWUHKLSA-N 1 2 392.862 4.220 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2cc(Br)cs2)c1C ZINC000170945887 824011059 /nfs/dbraw/zinc/01/10/59/824011059.db2.gz JLSGORDRDUMYSJ-UHFFFAOYSA-N 1 2 397.338 4.122 20 0 GIADLO CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000170959960 824019620 /nfs/dbraw/zinc/01/96/20/824019620.db2.gz QMVJAFKRQBGSJX-UHFFFAOYSA-N 1 2 390.524 4.119 20 0 GIADLO O=C(c1ccccc1F)N1CCC[N@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000192560368 824031805 /nfs/dbraw/zinc/03/18/05/824031805.db2.gz MSEPJAIQAGYFBC-UHFFFAOYSA-N 1 2 380.385 4.193 20 0 GIADLO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000192560368 824031807 /nfs/dbraw/zinc/03/18/07/824031807.db2.gz MSEPJAIQAGYFBC-UHFFFAOYSA-N 1 2 380.385 4.193 20 0 GIADLO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cc(C2CC2)on1 ZINC000170999378 824032993 /nfs/dbraw/zinc/03/29/93/824032993.db2.gz QEPRETXJOUAXJY-UHFFFAOYSA-N 1 2 394.302 4.253 20 0 GIADLO O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171054324 824049216 /nfs/dbraw/zinc/04/92/16/824049216.db2.gz BPOFPFZPMVBJHT-UHFFFAOYSA-N 1 2 399.332 4.193 20 0 GIADLO O[C@@H](C[N@H+](CCc1ccc(Cl)cc1)Cc1nc2ccccc2o1)C(F)(F)F ZINC000576024088 824051987 /nfs/dbraw/zinc/05/19/87/824051987.db2.gz MECNCQOHGBGXRW-KRWDZBQOSA-N 1 2 398.812 4.449 20 0 GIADLO O[C@@H](C[N@@H+](CCc1ccc(Cl)cc1)Cc1nc2ccccc2o1)C(F)(F)F ZINC000576024088 824051990 /nfs/dbraw/zinc/05/19/90/824051990.db2.gz MECNCQOHGBGXRW-KRWDZBQOSA-N 1 2 398.812 4.449 20 0 GIADLO COc1cccc([C@H](Nc2ncnc3cc(Cl)ccc32)c2[nH+]ccn2C)c1 ZINC000021901730 206251599 /nfs/dbraw/zinc/25/15/99/206251599.db2.gz QJPIWWSKEQUEDU-SFHVURJKSA-N 1 2 379.851 4.227 20 0 GIADLO CCC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc(F)cc1F ZINC000359893736 206267412 /nfs/dbraw/zinc/26/74/12/206267412.db2.gz CGAOIVYOXBUSBC-QZTJIDSGSA-N 1 2 383.435 4.453 20 0 GIADLO Cc1ccccc1NC1CC[NH+](Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1 ZINC000359958579 206273632 /nfs/dbraw/zinc/27/36/32/206273632.db2.gz RUSDHYZMGQHYLJ-UHFFFAOYSA-N 1 2 394.544 4.271 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001164896761 721476266 /nfs/dbraw/zinc/47/62/66/721476266.db2.gz XXKVUBKDXLXRKW-QFIPXVFZSA-N 1 2 398.938 4.022 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001164896761 721476270 /nfs/dbraw/zinc/47/62/70/721476270.db2.gz XXKVUBKDXLXRKW-QFIPXVFZSA-N 1 2 398.938 4.022 20 0 GIADLO Cn1c[nH+]cc1CNC(=O)c1oc2ccccc2c1COc1ccccc1Cl ZINC000570490556 823045542 /nfs/dbraw/zinc/04/55/42/823045542.db2.gz GQADZSFSIKKKGW-UHFFFAOYSA-N 1 2 395.846 4.329 20 0 GIADLO C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000458495991 823047578 /nfs/dbraw/zinc/04/75/78/823047578.db2.gz XRWYOSHOWCCSRX-IAGOWNOFSA-N 1 2 380.467 4.345 20 0 GIADLO CCCCc1nnc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)s1 ZINC000120728732 823053762 /nfs/dbraw/zinc/05/37/62/823053762.db2.gz MFXAHDMJRHPMQP-SJLPKXTDSA-N 1 2 396.520 4.128 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000570574564 823056250 /nfs/dbraw/zinc/05/62/50/823056250.db2.gz PLIOGAFMAAKECD-FCHUYYIVSA-N 1 2 381.520 4.137 20 0 GIADLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccc(SC)cc3)CC2)cs1 ZINC000120780040 823062671 /nfs/dbraw/zinc/06/26/71/823062671.db2.gz BUOGWCBOYSZFSB-INIZCTEOSA-N 1 2 391.606 4.280 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cs1)c1ccc(Cl)cc1 ZINC000120781382 823062873 /nfs/dbraw/zinc/06/28/73/823062873.db2.gz ADNLZVWMRVEYEV-HIFRSBDPSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cs1)c1ccc(Cl)cc1 ZINC000120781382 823062882 /nfs/dbraw/zinc/06/28/82/823062882.db2.gz ADNLZVWMRVEYEV-HIFRSBDPSA-N 1 2 393.940 4.074 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc2[nH]ccc21 ZINC000175886123 823063624 /nfs/dbraw/zinc/06/36/24/823063624.db2.gz HNWMBKACJUDSHD-UHFFFAOYSA-N 1 2 377.492 4.333 20 0 GIADLO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000570712828 823074708 /nfs/dbraw/zinc/07/47/08/823074708.db2.gz VHVCNPIZHURTTH-CQSZACIVSA-N 1 2 383.389 4.001 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187499686 823075918 /nfs/dbraw/zinc/07/59/18/823075918.db2.gz XWDYPSLLDSMGJG-UHFFFAOYSA-N 1 2 389.421 4.049 20 0 GIADLO COCCOc1cccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000055996939 823076379 /nfs/dbraw/zinc/07/63/79/823076379.db2.gz YZFLPAHJZHBYEZ-UHFFFAOYSA-N 1 2 391.471 4.164 20 0 GIADLO CO[C@@H](C)c1noc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2Br)n1 ZINC000570744169 823079498 /nfs/dbraw/zinc/07/94/98/823079498.db2.gz FIVNZWLQVLSUOL-ZFWWWQNUSA-N 1 2 394.313 4.137 20 0 GIADLO CO[C@@H](C)c1noc(C[N@H+]2CCCC[C@H]2Cc2ccccc2Br)n1 ZINC000570744169 823079503 /nfs/dbraw/zinc/07/95/03/823079503.db2.gz FIVNZWLQVLSUOL-ZFWWWQNUSA-N 1 2 394.313 4.137 20 0 GIADLO COCCCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000175961288 823083067 /nfs/dbraw/zinc/08/30/67/823083067.db2.gz XRLNXPVHGVZYGI-UHFFFAOYSA-N 1 2 385.851 4.193 20 0 GIADLO C[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ncc(Br)cc1F ZINC000187543953 823085883 /nfs/dbraw/zinc/08/58/83/823085883.db2.gz UQRSOOJBOWGWDV-SECBINFHSA-N 1 2 385.664 4.422 20 0 GIADLO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120917641 823086508 /nfs/dbraw/zinc/08/65/08/823086508.db2.gz KJCQTFBGIYUWCY-INIZCTEOSA-N 1 2 385.876 4.152 20 0 GIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCSC(C)(C)CC2)c(C)c1 ZINC000570779755 823086564 /nfs/dbraw/zinc/08/65/64/823086564.db2.gz MGIRWQFDKRAHKH-LJQANCHMSA-N 1 2 386.565 4.168 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCCc3sccc32)C[C@@H](C)O1 ZINC000120938550 823089933 /nfs/dbraw/zinc/08/99/33/823089933.db2.gz NLWRPORQBLFFBI-GPMSIDNRSA-N 1 2 384.545 4.416 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000570830443 823092988 /nfs/dbraw/zinc/09/29/88/823092988.db2.gz XHSNTFTWILZILE-OAQYLSRUSA-N 1 2 378.451 4.117 20 0 GIADLO CC(C)Oc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cn1 ZINC000056162023 823093262 /nfs/dbraw/zinc/09/32/62/823093262.db2.gz ODDDETRGHGCWGB-QFIPXVFZSA-N 1 2 393.462 4.478 20 0 GIADLO C[C@@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)[C@H]1c1ccccc1 ZINC000176006547 823094098 /nfs/dbraw/zinc/09/40/98/823094098.db2.gz KARKMDHASWNEOH-WZONZLPQSA-N 1 2 392.547 4.124 20 0 GIADLO C[C@H](c1cccs1)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176006869 823094143 /nfs/dbraw/zinc/09/41/43/823094143.db2.gz GAKASSLYWGAPJY-MRXNPFEDSA-N 1 2 386.565 4.186 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000176006612 823094194 /nfs/dbraw/zinc/09/41/94/823094194.db2.gz XVDJDJNTAPPWDD-FQEVSTJZSA-N 1 2 398.576 4.330 20 0 GIADLO Cc1ccc(CCCC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)s1 ZINC000176013710 823095664 /nfs/dbraw/zinc/09/56/64/823095664.db2.gz GTIYPDVOWXXIMV-UHFFFAOYSA-N 1 2 385.577 4.230 20 0 GIADLO COc1cc(CCC2CC[NH+](Cc3nccn3C(F)F)CC2)cc(OC)c1 ZINC000120993624 823099226 /nfs/dbraw/zinc/09/92/26/823099226.db2.gz QTRAGBBYZYBVRW-UHFFFAOYSA-N 1 2 379.451 4.140 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1ncc(C(C)C)s1 ZINC000570882397 823101536 /nfs/dbraw/zinc/10/15/36/823101536.db2.gz QWQCIHDXKNNNRZ-UHFFFAOYSA-N 1 2 382.327 4.066 20 0 GIADLO C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1Cl ZINC000121032144 823105968 /nfs/dbraw/zinc/10/59/68/823105968.db2.gz XXNVOTCVKLAFOA-OLZOCXBDSA-N 1 2 379.291 4.028 20 0 GIADLO Brc1ccc(OCc2ccccc2)c(C[N@@H+]2CCn3cncc3C2)c1 ZINC000570916007 823107075 /nfs/dbraw/zinc/10/70/75/823107075.db2.gz GAVVEFDWSXQKDE-UHFFFAOYSA-N 1 2 398.304 4.240 20 0 GIADLO Brc1ccc(OCc2ccccc2)c(C[N@H+]2CCn3cncc3C2)c1 ZINC000570916007 823107079 /nfs/dbraw/zinc/10/70/79/823107079.db2.gz GAVVEFDWSXQKDE-UHFFFAOYSA-N 1 2 398.304 4.240 20 0 GIADLO c1ccc([C@H](c2nc(-c3nccc4ccccc43)no2)[NH+]2CCSCC2)cc1 ZINC000570969317 823113219 /nfs/dbraw/zinc/11/32/19/823113219.db2.gz RTXDWXWIUBJVEY-HXUWFJFHSA-N 1 2 388.496 4.423 20 0 GIADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000458993394 823114130 /nfs/dbraw/zinc/11/41/30/823114130.db2.gz DPKYYESTBJBVKQ-YJBOKZPZSA-N 1 2 390.890 4.253 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccccc2N(C)C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000121097462 823117869 /nfs/dbraw/zinc/11/78/69/823117869.db2.gz HHIDPURDTNXCIN-UTKZUKDTSA-N 1 2 381.524 4.377 20 0 GIADLO C[N@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccc(F)cc2)n(-c2ccccc2)c1=S ZINC000176099364 823119600 /nfs/dbraw/zinc/11/96/00/823119600.db2.gz UAWJRJBWEOAROZ-INIZCTEOSA-N 1 2 398.507 4.135 20 0 GIADLO C[N@@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccc(F)cc2)n(-c2ccccc2)c1=S ZINC000176099364 823119602 /nfs/dbraw/zinc/11/96/02/823119602.db2.gz UAWJRJBWEOAROZ-INIZCTEOSA-N 1 2 398.507 4.135 20 0 GIADLO COC(=O)COc1ccc(C[N@H+](C)Cc2cc3ccccc3nc2Cl)cc1 ZINC000187740142 823123016 /nfs/dbraw/zinc/12/30/16/823123016.db2.gz BFKITOIYIFNLTC-UHFFFAOYSA-N 1 2 384.863 4.072 20 0 GIADLO COC(=O)COc1ccc(C[N@@H+](C)Cc2cc3ccccc3nc2Cl)cc1 ZINC000187740142 823123018 /nfs/dbraw/zinc/12/30/18/823123018.db2.gz BFKITOIYIFNLTC-UHFFFAOYSA-N 1 2 384.863 4.072 20 0 GIADLO Cc1ccc(OCc2nc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cs2)cc1 ZINC000121153132 823128596 /nfs/dbraw/zinc/12/85/96/823128596.db2.gz ICSDMFMLSGSCMK-UHFFFAOYSA-N 1 2 389.565 4.061 20 0 GIADLO COCc1ccc(CNC(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121182806 823133775 /nfs/dbraw/zinc/13/37/75/823133775.db2.gz GPYJGHSNUFYHPW-MRXNPFEDSA-N 1 2 389.565 4.031 20 0 GIADLO COCc1ccc(CNC(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121182806 823133777 /nfs/dbraw/zinc/13/37/77/823133777.db2.gz GPYJGHSNUFYHPW-MRXNPFEDSA-N 1 2 389.565 4.031 20 0 GIADLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000121196191 823136238 /nfs/dbraw/zinc/13/62/38/823136238.db2.gz PLGPYEAINZHTNK-SFHVURJKSA-N 1 2 393.535 4.416 20 0 GIADLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000121196191 823136243 /nfs/dbraw/zinc/13/62/43/823136243.db2.gz PLGPYEAINZHTNK-SFHVURJKSA-N 1 2 393.535 4.416 20 0 GIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc(Cl)ccc1OC(F)F ZINC000176167521 823141487 /nfs/dbraw/zinc/14/14/87/823141487.db2.gz RYZWFFQWODMVRU-UHFFFAOYSA-N 1 2 396.821 4.026 20 0 GIADLO Cc1ccc(OCc2nnc(SCc3ccc(-n4cc[nH+]c4)cc3)o2)cc1 ZINC000187869104 823149700 /nfs/dbraw/zinc/14/97/00/823149700.db2.gz ASUJHSFTGFLSOA-UHFFFAOYSA-N 1 2 378.457 4.435 20 0 GIADLO S=c1n(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)nc(-c2cccnc2)n1Cc1ccco1 ZINC000176197720 823150363 /nfs/dbraw/zinc/15/03/63/823150363.db2.gz NLPDQXCGGTWGJE-HDICACEKSA-N 1 2 395.532 4.197 20 0 GIADLO S=c1n(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)nc(-c2cccnc2)n1Cc1ccco1 ZINC000176197720 823150368 /nfs/dbraw/zinc/15/03/68/823150368.db2.gz NLPDQXCGGTWGJE-HDICACEKSA-N 1 2 395.532 4.197 20 0 GIADLO O=C(Nc1ccc2c(c1)CCCC(=O)N2)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176221013 823155845 /nfs/dbraw/zinc/15/58/45/823155845.db2.gz ODDUHIXSZPEUJW-OAQYLSRUSA-N 1 2 395.478 4.094 20 0 GIADLO O=C(Nc1ccc2c(c1)CCCC(=O)N2)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176221013 823155847 /nfs/dbraw/zinc/15/58/47/823155847.db2.gz ODDUHIXSZPEUJW-OAQYLSRUSA-N 1 2 395.478 4.094 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc(Cl)c1O ZINC000459291355 823157114 /nfs/dbraw/zinc/15/71/14/823157114.db2.gz CBLAYWAJDJOHCC-UHFFFAOYSA-N 1 2 390.911 4.440 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc(Cl)c1O ZINC000459291355 823157116 /nfs/dbraw/zinc/15/71/16/823157116.db2.gz CBLAYWAJDJOHCC-UHFFFAOYSA-N 1 2 390.911 4.440 20 0 GIADLO COCC[N@H+](Cc1ncccc1C(=O)OC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000459320501 823161188 /nfs/dbraw/zinc/16/11/88/823161188.db2.gz FUYWUSBQYDDJTL-CQSZACIVSA-N 1 2 396.409 4.097 20 0 GIADLO COCC[N@@H+](Cc1ncccc1C(=O)OC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000459320501 823161190 /nfs/dbraw/zinc/16/11/90/823161190.db2.gz FUYWUSBQYDDJTL-CQSZACIVSA-N 1 2 396.409 4.097 20 0 GIADLO COC(=O)c1ccc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)c(Br)c1 ZINC000571270460 823158573 /nfs/dbraw/zinc/15/85/73/823158573.db2.gz LGOYIMUTTDJNGK-HNNXBMFYSA-N 1 2 395.322 4.242 20 0 GIADLO O=C(Nc1cc(C(F)F)ccc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571323769 823165147 /nfs/dbraw/zinc/16/51/47/823165147.db2.gz QTNMATPDHRTIDI-QGZVFWFLSA-N 1 2 380.822 4.117 20 0 GIADLO O=C(Nc1cc(C(F)F)ccc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571323769 823165152 /nfs/dbraw/zinc/16/51/52/823165152.db2.gz QTNMATPDHRTIDI-QGZVFWFLSA-N 1 2 380.822 4.117 20 0 GIADLO O[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000187997425 823169162 /nfs/dbraw/zinc/16/91/62/823169162.db2.gz HSOZRXJWVWNNJJ-IRXDYDNUSA-N 1 2 380.250 4.268 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2Cc3ccc(Cl)cc3C2)C[C@@H](C)O1 ZINC000459358033 823170776 /nfs/dbraw/zinc/17/07/76/823170776.db2.gz MSGJQCGQCGEHNE-HZPDHXFCSA-N 1 2 399.922 4.497 20 0 GIADLO CC(C)COC1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000056563965 823170886 /nfs/dbraw/zinc/17/08/86/823170886.db2.gz AVAVVEUYLBJTKI-MRXNPFEDSA-N 1 2 394.585 4.044 20 0 GIADLO CC(C)COC1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000056563965 823170889 /nfs/dbraw/zinc/17/08/89/823170889.db2.gz AVAVVEUYLBJTKI-MRXNPFEDSA-N 1 2 394.585 4.044 20 0 GIADLO Cc1cc(Br)cnc1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571413953 823179679 /nfs/dbraw/zinc/17/96/79/823179679.db2.gz CHVCAYIGIZKMAB-AWEZNQCLSA-N 1 2 382.689 4.047 20 0 GIADLO COCc1cc(C[NH2+][C@H]2c3cc(Br)ccc3SC[C@H]2C)no1 ZINC000459397910 823183124 /nfs/dbraw/zinc/18/31/24/823183124.db2.gz HYDGVRDKAUZJPW-QLJPJBMISA-N 1 2 383.311 4.156 20 0 GIADLO C[C@H](Cc1cccc(F)c1)N(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000459390012 823180911 /nfs/dbraw/zinc/18/09/11/823180911.db2.gz RVPIDDNGMWEZSP-MSOLQXFVSA-N 1 2 399.510 4.314 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2ccc(Cn3cccn3)cc2)no1)c1cccc(Cl)c1 ZINC000571444005 823183340 /nfs/dbraw/zinc/18/33/40/823183340.db2.gz GWLFJCGGHMAIJT-IBGZPJMESA-N 1 2 393.878 4.286 20 0 GIADLO CC1CCN(c2ccc(C[NH2+]Cc3cccc(O)c3Br)cn2)CC1 ZINC000459399298 823183851 /nfs/dbraw/zinc/18/38/51/823183851.db2.gz YTSZQMZSYAMLIV-UHFFFAOYSA-N 1 2 390.325 4.076 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[C@@H]2C2CCCC2)C[C@@H](C)O1 ZINC000056629158 823185396 /nfs/dbraw/zinc/18/53/96/823185396.db2.gz CPKCOYYBZUEDOF-JBYIUTFZSA-N 1 2 385.552 4.482 20 0 GIADLO CCOc1ccc(N(CC)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000459407165 823186209 /nfs/dbraw/zinc/18/62/09/823186209.db2.gz VUTCTFYBNOAFEC-UHFFFAOYSA-N 1 2 394.475 4.419 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000056639017 823187191 /nfs/dbraw/zinc/18/71/91/823187191.db2.gz IFMVFHAAWUHQPY-UHFFFAOYSA-N 1 2 382.439 4.203 20 0 GIADLO CCOc1cc(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)cc(Cl)c1O ZINC000459427453 823190172 /nfs/dbraw/zinc/19/01/72/823190172.db2.gz FTCFPIRISMWZHA-UHFFFAOYSA-N 1 2 386.883 4.050 20 0 GIADLO CC[C@H](C)Oc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000056649519 823190412 /nfs/dbraw/zinc/19/04/12/823190412.db2.gz QHXFPLNSDDVNSK-KRWDZBQOSA-N 1 2 378.476 4.430 20 0 GIADLO CCCOc1cc(OC)ccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000188128483 823190995 /nfs/dbraw/zinc/19/09/95/823190995.db2.gz JABHGCSUHFNQSG-UHFFFAOYSA-N 1 2 389.521 4.179 20 0 GIADLO O=C(Nc1cc(Br)c(F)cc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188141965 823192924 /nfs/dbraw/zinc/19/29/24/823192924.db2.gz OKDYKFAVEQTQSC-UHFFFAOYSA-N 1 2 378.176 4.165 20 0 GIADLO COc1ccc([C@@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccccc2OC)cc1 ZINC000459445211 823193702 /nfs/dbraw/zinc/19/37/02/823193702.db2.gz GNSUCPWERBICKG-JOCHJYFZSA-N 1 2 375.472 4.250 20 0 GIADLO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)n1 ZINC000188150429 823194306 /nfs/dbraw/zinc/19/43/06/823194306.db2.gz FZMBGVWFZWDSLT-OAQYLSRUSA-N 1 2 375.451 4.231 20 0 GIADLO CCC[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C(C)C ZINC000571529680 823196209 /nfs/dbraw/zinc/19/62/09/823196209.db2.gz SOYLJQXHFWYAEC-INIZCTEOSA-N 1 2 396.329 4.340 20 0 GIADLO C[C@@H](CNC(=O)[C@@H](Sc1ccccc1F)c1ccccc1)Cn1cc[nH+]c1 ZINC000176404435 823201116 /nfs/dbraw/zinc/20/11/16/823201116.db2.gz PPERTGOKSDHOBQ-JXFKEZNVSA-N 1 2 383.492 4.308 20 0 GIADLO COc1ccc2c(c1)c(C(=O)NC[C@@H](C)Cn1cc[nH+]c1)c(C)n2C1CCCC1 ZINC000176396410 823198935 /nfs/dbraw/zinc/19/89/35/823198935.db2.gz RPMOKDVKOHEXBL-MRXNPFEDSA-N 1 2 394.519 4.336 20 0 GIADLO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000176396729 823198963 /nfs/dbraw/zinc/19/89/63/823198963.db2.gz COBUEQAHYRJWBO-YSZBQJHXSA-N 1 2 389.499 4.018 20 0 GIADLO CO[C@@H](C)c1noc(C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)n1 ZINC000188183061 823199768 /nfs/dbraw/zinc/19/97/68/823199768.db2.gz ZFXGAHPPFPCBCX-BONVTDFDSA-N 1 2 398.276 4.310 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)c2)oc1C ZINC000056731141 823201877 /nfs/dbraw/zinc/20/18/77/823201877.db2.gz MIJZEVNPPQKXLY-UHFFFAOYSA-N 1 2 391.475 4.275 20 0 GIADLO C[C@@H]1CCc2onc(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)c2C1 ZINC000571603815 823206614 /nfs/dbraw/zinc/20/66/14/823206614.db2.gz PHZKCCYVDLYOKP-CQSZACIVSA-N 1 2 376.460 4.252 20 0 GIADLO C[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000459496143 823204222 /nfs/dbraw/zinc/20/42/22/823204222.db2.gz WRGUNJIMDCJAHC-PXAZEXFGSA-N 1 2 393.409 4.040 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000459496143 823204228 /nfs/dbraw/zinc/20/42/28/823204228.db2.gz WRGUNJIMDCJAHC-PXAZEXFGSA-N 1 2 393.409 4.040 20 0 GIADLO CCCOc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000056746841 823205527 /nfs/dbraw/zinc/20/55/27/823205527.db2.gz BRKNOUYORWDOCK-UHFFFAOYSA-N 1 2 378.476 4.350 20 0 GIADLO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000459513199 823208292 /nfs/dbraw/zinc/20/82/92/823208292.db2.gz RHRRTWRNQBZBFC-FCHUYYIVSA-N 1 2 379.500 4.241 20 0 GIADLO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000459513199 823208296 /nfs/dbraw/zinc/20/82/96/823208296.db2.gz RHRRTWRNQBZBFC-FCHUYYIVSA-N 1 2 379.500 4.241 20 0 GIADLO CCOc1cc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc(Br)c1O ZINC000459521977 823210416 /nfs/dbraw/zinc/21/04/16/823210416.db2.gz ROKMYIOEJXFJFP-UHFFFAOYSA-N 1 2 396.329 4.206 20 0 GIADLO CCOc1cc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc(Br)c1O ZINC000459521977 823210420 /nfs/dbraw/zinc/21/04/20/823210420.db2.gz ROKMYIOEJXFJFP-UHFFFAOYSA-N 1 2 396.329 4.206 20 0 GIADLO C[C@@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1C(F)(F)F ZINC000121605818 823214732 /nfs/dbraw/zinc/21/47/32/823214732.db2.gz WQZOMYAAMXYODU-HOCLYGCPSA-N 1 2 378.394 4.274 20 0 GIADLO COc1ncc([C@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1Cl ZINC000571660833 823215549 /nfs/dbraw/zinc/21/55/49/823215549.db2.gz XVFCYDCOVVPVMQ-AWEZNQCLSA-N 1 2 382.895 4.269 20 0 GIADLO C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Br)cc1 ZINC000571690759 823219598 /nfs/dbraw/zinc/21/95/98/823219598.db2.gz LUWLRFGFUOWJHM-OAHLLOKOSA-N 1 2 398.304 4.114 20 0 GIADLO CCOc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc(Br)c1O ZINC000459560647 823220403 /nfs/dbraw/zinc/22/04/03/823220403.db2.gz JZPYXNAGOJXEGW-YJBOKZPZSA-N 1 2 396.325 4.087 20 0 GIADLO CCOc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc(Br)c1O ZINC000459560647 823220406 /nfs/dbraw/zinc/22/04/06/823220406.db2.gz JZPYXNAGOJXEGW-YJBOKZPZSA-N 1 2 396.325 4.087 20 0 GIADLO CCOc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc(Br)c1O ZINC000459560645 823220554 /nfs/dbraw/zinc/22/05/54/823220554.db2.gz JZPYXNAGOJXEGW-MAUKXSAKSA-N 1 2 396.325 4.087 20 0 GIADLO CCOc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc(Br)c1O ZINC000459560645 823220558 /nfs/dbraw/zinc/22/05/58/823220558.db2.gz JZPYXNAGOJXEGW-MAUKXSAKSA-N 1 2 396.325 4.087 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000056838419 823221067 /nfs/dbraw/zinc/22/10/67/823221067.db2.gz XSSGSWLQVISSKS-UHFFFAOYSA-N 1 2 384.430 4.030 20 0 GIADLO COc1ccccc1-c1nc(C[S@](=O)Cc2cn3cccc(C)c3[nH+]2)cs1 ZINC000176498712 823222016 /nfs/dbraw/zinc/22/20/16/823222016.db2.gz ONXBNOXWIQHCII-HHHXNRCGSA-N 1 2 397.525 4.224 20 0 GIADLO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409454901 823222689 /nfs/dbraw/zinc/22/26/89/823222689.db2.gz VLPIJUBVBCWKET-INIZCTEOSA-N 1 2 395.478 4.393 20 0 GIADLO CCO[C@@H]1C[C@H](Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1Sc1ccccc1 ZINC000459551935 823218667 /nfs/dbraw/zinc/21/86/67/823218667.db2.gz ULNVOLBEHCFWRB-QKNQBKEWSA-N 1 2 380.517 4.077 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1CCc1ccccc1 ZINC000056848462 823223455 /nfs/dbraw/zinc/22/34/55/823223455.db2.gz GOHZESKLQVELJN-QHCPKHFHSA-N 1 2 388.515 4.238 20 0 GIADLO COc1ccc(C(=O)CC[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000459584049 823225618 /nfs/dbraw/zinc/22/56/18/823225618.db2.gz AOBZGBYOZANJRU-SFHVURJKSA-N 1 2 389.293 4.263 20 0 GIADLO COc1ccc(C(=O)CC[N@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000459584049 823225621 /nfs/dbraw/zinc/22/56/21/823225621.db2.gz AOBZGBYOZANJRU-SFHVURJKSA-N 1 2 389.293 4.263 20 0 GIADLO CC(C)Oc1ccc([C@H](C)NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000409488463 823232835 /nfs/dbraw/zinc/23/28/35/823232835.db2.gz ZLVGPWDZRUFMOH-INIZCTEOSA-N 1 2 396.466 4.359 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N[C@H]1CCc2c1cccc2Cl ZINC000056901199 823230207 /nfs/dbraw/zinc/23/02/07/823230207.db2.gz FOOORQYZNDQKQO-FQEVSTJZSA-N 1 2 394.906 4.114 20 0 GIADLO Cc1ccc(C)c(NC(=O)Cc2nc(C[NH2+][C@@H](C)c3cncc(F)c3)cs2)c1 ZINC000459618318 823230417 /nfs/dbraw/zinc/23/04/17/823230417.db2.gz DHVMWFQZNHPWHG-HNNXBMFYSA-N 1 2 398.507 4.326 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000176541727 823233013 /nfs/dbraw/zinc/23/30/13/823233013.db2.gz QJPYIXNDBAFPHB-HJWYETAXSA-N 1 2 397.544 4.043 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC2(CCCC2)c2c1cccc2F ZINC000409481339 823231148 /nfs/dbraw/zinc/23/11/48/823231148.db2.gz AZNXLEQNHYFQPU-UHFFFAOYSA-N 1 2 394.494 4.363 20 0 GIADLO CCCCn1c(SCc2cn3ccsc3n2)nnc1[C@@H](CC)[NH+](C)C ZINC000176537406 823231995 /nfs/dbraw/zinc/23/19/95/823231995.db2.gz CXSPJGNPDMEEGP-CQSZACIVSA-N 1 2 378.571 4.092 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)Cc3ncc(-c4cccc(Cl)c4)o3)[nH+]c12 ZINC000176539379 823232247 /nfs/dbraw/zinc/23/22/47/823232247.db2.gz QPBUGEAAKWFLAU-AREMUKBSSA-N 1 2 385.876 4.400 20 0 GIADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cc2c([nH]c1=O)CCCC2 ZINC000571742333 823228632 /nfs/dbraw/zinc/22/86/32/823228632.db2.gz TUROFBUUKQTLTF-UHFFFAOYSA-N 1 2 388.471 4.118 20 0 GIADLO Brc1ccc([C@H]([NH2+]Cc2nnc3ccccn32)c2ccccc2)cc1 ZINC000188400932 823234292 /nfs/dbraw/zinc/23/42/92/823234292.db2.gz REBGFVAKSWDUOH-HXUWFJFHSA-N 1 2 393.288 4.371 20 0 GIADLO Cc1cc(CNC(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc(C)[nH+]1 ZINC000571794324 823235046 /nfs/dbraw/zinc/23/50/46/823235046.db2.gz MYZLNPYLMJVWCC-ROUUACIJSA-N 1 2 377.492 4.100 20 0 GIADLO O=S(=O)(c1ccc(Cl)cc1Cl)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000571797374 823235486 /nfs/dbraw/zinc/23/54/86/823235486.db2.gz PBUSZMLULAUOTM-UHFFFAOYSA-N 1 2 385.194 4.146 20 0 GIADLO NC(=O)c1coc(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)c1 ZINC000188414307 823237270 /nfs/dbraw/zinc/23/72/70/823237270.db2.gz GZFMBULKZWUFBE-SFHVURJKSA-N 1 2 385.261 4.020 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000056985954 823237945 /nfs/dbraw/zinc/23/79/45/823237945.db2.gz UHUSWALJEMMEJV-UHFFFAOYSA-N 1 2 383.879 4.326 20 0 GIADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057024300 823240348 /nfs/dbraw/zinc/24/03/48/823240348.db2.gz UHPANZMASNUMJG-QZTJIDSGSA-N 1 2 381.520 4.055 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc3ccncc3s2)C[C@H](C)O1 ZINC000571850685 823245647 /nfs/dbraw/zinc/24/56/47/823245647.db2.gz CIBVXBSGDIULAL-GJZGRUSLSA-N 1 2 381.501 4.158 20 0 GIADLO O=C(N[C@@H](CC(F)(F)F)c1ccccc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000057130083 823252591 /nfs/dbraw/zinc/25/25/91/823252591.db2.gz KWPIIGFOYNXRSD-KRWDZBQOSA-N 1 2 392.425 4.043 20 0 GIADLO CC[N@H+](C)[C@@H](C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000121784531 823250780 /nfs/dbraw/zinc/25/07/80/823250780.db2.gz RLMQPIGZJRJXFJ-GOSISDBHSA-N 1 2 385.851 4.126 20 0 GIADLO CC[N@@H+](C)[C@@H](C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000121784531 823250785 /nfs/dbraw/zinc/25/07/85/823250785.db2.gz RLMQPIGZJRJXFJ-GOSISDBHSA-N 1 2 385.851 4.126 20 0 GIADLO COc1cc(OC)c(NCc2c[nH+]c3c(C)cccn23)cc1Br ZINC000121789337 823251734 /nfs/dbraw/zinc/25/17/34/823251734.db2.gz HXCRAFCFZDECPC-UHFFFAOYSA-N 1 2 376.254 4.035 20 0 GIADLO O=C1CC2(CC[NH+](Cc3ccc(Br)cc3)CC2)Oc2ccccc21 ZINC000000577995 817372811 /nfs/dbraw/zinc/37/28/11/817372811.db2.gz ZAXMNPJNHVCHHH-UHFFFAOYSA-N 1 2 386.289 4.449 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000003540996 817481119 /nfs/dbraw/zinc/48/11/19/817481119.db2.gz XKSKHLRZYIYVJH-UHFFFAOYSA-N 1 2 392.446 4.238 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000003540996 817481126 /nfs/dbraw/zinc/48/11/26/817481126.db2.gz XKSKHLRZYIYVJH-UHFFFAOYSA-N 1 2 392.446 4.238 20 0 GIADLO CCCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@H](CC)[NH+](C)C ZINC000003551066 817483250 /nfs/dbraw/zinc/48/32/50/817483250.db2.gz MBVWVLMDMNRWGO-KRWDZBQOSA-N 1 2 389.569 4.130 20 0 GIADLO FC(F)(F)Oc1ccc(Nc2nnc(SCCn3cc[nH+]c3)s2)cc1 ZINC000121873203 823267424 /nfs/dbraw/zinc/26/74/24/823267424.db2.gz SQQVHZLICAIHSB-UHFFFAOYSA-N 1 2 387.412 4.169 20 0 GIADLO O=C(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)Nc1ccc(F)cc1Cl ZINC000121875060 823268049 /nfs/dbraw/zinc/26/80/49/823268049.db2.gz DEICZXDDIHAWIL-YJBOKZPZSA-N 1 2 394.874 4.379 20 0 GIADLO O=C(C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)Nc1ccc(F)cc1Cl ZINC000121875060 823268051 /nfs/dbraw/zinc/26/80/51/823268051.db2.gz DEICZXDDIHAWIL-YJBOKZPZSA-N 1 2 394.874 4.379 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)Nc1cc(F)c(Br)cc1F ZINC000121923663 823277740 /nfs/dbraw/zinc/27/77/40/823277740.db2.gz VWANJGKGSUKDFA-UHFFFAOYSA-N 1 2 399.239 4.136 20 0 GIADLO O=C(C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1)N1CCCCC1 ZINC000188671919 823284068 /nfs/dbraw/zinc/28/40/68/823284068.db2.gz FZMVZMSDZGLVBR-UHFFFAOYSA-N 1 2 399.760 4.327 20 0 GIADLO CC(C)=CCOc1cccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC000460108848 823286174 /nfs/dbraw/zinc/28/61/74/823286174.db2.gz NPJWIHMLPKUORE-UHFFFAOYSA-N 1 2 394.515 4.425 20 0 GIADLO O=c1[nH]c(C[NH2+]C(c2ccccc2)c2ccccc2)nc2ccc(Cl)cc12 ZINC000007322340 817818205 /nfs/dbraw/zinc/81/82/05/817818205.db2.gz LYHSUVNWWKDKFA-UHFFFAOYSA-N 1 2 375.859 4.456 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F ZINC000007460815 817847648 /nfs/dbraw/zinc/84/76/48/817847648.db2.gz VEWLVZJHOKNRHV-UHFFFAOYSA-N 1 2 384.810 4.021 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F ZINC000007460815 817847654 /nfs/dbraw/zinc/84/76/54/817847654.db2.gz VEWLVZJHOKNRHV-UHFFFAOYSA-N 1 2 384.810 4.021 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000572175129 823294914 /nfs/dbraw/zinc/29/49/14/823294914.db2.gz ZWGHLRHRVRLVNZ-YOEHRIQHSA-N 1 2 396.457 4.247 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000572177085 823295302 /nfs/dbraw/zinc/29/53/02/823295302.db2.gz LNOKWATZUVCFQR-LLVKDONJSA-N 1 2 379.938 4.463 20 0 GIADLO O=C(CC1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1)N1CCCC1 ZINC000188739141 823295522 /nfs/dbraw/zinc/29/55/22/823295522.db2.gz FMTSIWPWLFGWNC-UHFFFAOYSA-N 1 2 399.760 4.327 20 0 GIADLO O=C(CCCn1cc[nH+]c1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000122034791 823296783 /nfs/dbraw/zinc/29/67/83/823296783.db2.gz GHGVUEOCOSBJFE-UHFFFAOYSA-N 1 2 394.422 4.368 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000007717983 817902374 /nfs/dbraw/zinc/90/23/74/817902374.db2.gz VPABSGOVVNUTLG-FQEVSTJZSA-N 1 2 382.504 4.350 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000007717983 817902380 /nfs/dbraw/zinc/90/23/80/817902380.db2.gz VPABSGOVVNUTLG-FQEVSTJZSA-N 1 2 382.504 4.350 20 0 GIADLO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ocnc1C1CC1 ZINC000572199379 823298764 /nfs/dbraw/zinc/29/87/64/823298764.db2.gz QMYUEOJPXSWPEE-SFHVURJKSA-N 1 2 393.512 4.143 20 0 GIADLO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ocnc1C1CC1 ZINC000572199379 823298768 /nfs/dbraw/zinc/29/87/68/823298768.db2.gz QMYUEOJPXSWPEE-SFHVURJKSA-N 1 2 393.512 4.143 20 0 GIADLO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000057459692 823299593 /nfs/dbraw/zinc/29/95/93/823299593.db2.gz DDXKQKMFZJHTFP-UHFFFAOYSA-N 1 2 398.438 4.343 20 0 GIADLO Cc1cc(O[C@H](C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1Cl ZINC000409773546 823304078 /nfs/dbraw/zinc/30/40/78/823304078.db2.gz PZXXSUOGEVPULR-CQSZACIVSA-N 1 2 393.940 4.497 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@H+](C)CC(=O)Nc3c(C)cccc3C)c2cc1C ZINC000008092548 817999684 /nfs/dbraw/zinc/99/96/84/817999684.db2.gz ZJYHVDVLHBVXAV-UHFFFAOYSA-N 1 2 378.472 4.097 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@@H+](C)CC(=O)Nc3c(C)cccc3C)c2cc1C ZINC000008092548 817999690 /nfs/dbraw/zinc/99/96/90/817999690.db2.gz ZJYHVDVLHBVXAV-UHFFFAOYSA-N 1 2 378.472 4.097 20 0 GIADLO CN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460171791 823305259 /nfs/dbraw/zinc/30/52/59/823305259.db2.gz OZOGRIGRHQMSAV-HDICACEKSA-N 1 2 394.441 4.194 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1cc(F)ccc1F ZINC000008262242 818026240 /nfs/dbraw/zinc/02/62/40/818026240.db2.gz AHNDMGFPERFVBD-ZDUSSCGKSA-N 1 2 387.455 4.393 20 0 GIADLO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1cc(F)ccc1F ZINC000008262242 818026250 /nfs/dbraw/zinc/02/62/50/818026250.db2.gz AHNDMGFPERFVBD-ZDUSSCGKSA-N 1 2 387.455 4.393 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccccc2OC(F)F)s1 ZINC000122113054 823308167 /nfs/dbraw/zinc/30/81/67/823308167.db2.gz DJDQNKRDKORGNZ-GFCCVEGCSA-N 1 2 383.464 4.247 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccccc2OC(F)F)s1 ZINC000122113054 823308173 /nfs/dbraw/zinc/30/81/73/823308173.db2.gz DJDQNKRDKORGNZ-GFCCVEGCSA-N 1 2 383.464 4.247 20 0 GIADLO Cc1oc(-c2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1C ZINC000188809652 823310574 /nfs/dbraw/zinc/31/05/74/823310574.db2.gz QBTQKGZCEJPOEK-UHFFFAOYSA-N 1 2 391.471 4.356 20 0 GIADLO Cc1ccnc(OC2CC[NH+]([C@H](C)C(=O)Nc3cc(Cl)ccc3C)CC2)c1 ZINC000572268910 823310769 /nfs/dbraw/zinc/31/07/69/823310769.db2.gz SWEPRPLRIIROGV-MRXNPFEDSA-N 1 2 387.911 4.222 20 0 GIADLO Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3cc[nH+]c(C)c3)[C@H]2c2cccs2)cc1 ZINC000011683346 818109421 /nfs/dbraw/zinc/10/94/21/818109421.db2.gz MSMNQINJTOHYAV-RXVVDRJESA-N 1 2 391.496 4.493 20 0 GIADLO COc1ccc2ccccc2c1CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000057611466 823314564 /nfs/dbraw/zinc/31/45/64/823314564.db2.gz JJPAZJXZJJEYQP-UHFFFAOYSA-N 1 2 393.487 4.210 20 0 GIADLO COc1ccc(-c2noc(C[N@H+](Cc3ccc(F)cc3)C3CC3)n2)c(OC)c1 ZINC000057621252 823315653 /nfs/dbraw/zinc/31/56/53/823315653.db2.gz LICPYZRVRMSVMI-UHFFFAOYSA-N 1 2 383.423 4.058 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+](Cc3ccc(F)cc3)C3CC3)n2)c(OC)c1 ZINC000057621252 823315659 /nfs/dbraw/zinc/31/56/59/823315659.db2.gz LICPYZRVRMSVMI-UHFFFAOYSA-N 1 2 383.423 4.058 20 0 GIADLO O=C(c1cc2ccccc2[nH]1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012393131 818157424 /nfs/dbraw/zinc/15/74/24/818157424.db2.gz XMLGWDWARQLIIX-UHFFFAOYSA-N 1 2 387.405 4.145 20 0 GIADLO Cc1ccc2nc(C[N@@H+]3CCCN(C(=O)Nc4cccc(Cl)c4)CC3)cn2c1 ZINC000176899878 823320455 /nfs/dbraw/zinc/32/04/55/823320455.db2.gz PBBVRYOOKAWISG-UHFFFAOYSA-N 1 2 397.910 4.036 20 0 GIADLO COc1ccc([C@@H](CNc2[nH+]cnc3c2cnn3C)c2c[nH]c3ccccc32)cc1 ZINC000012485452 818164734 /nfs/dbraw/zinc/16/47/34/818164734.db2.gz DIJCFCVIMPLFER-GOSISDBHSA-N 1 2 398.470 4.097 20 0 GIADLO Cc1ccc2nc(C[N@H+]3CCCN(C(=O)Nc4cccc(Cl)c4)CC3)cn2c1 ZINC000176899878 823320461 /nfs/dbraw/zinc/32/04/61/823320461.db2.gz PBBVRYOOKAWISG-UHFFFAOYSA-N 1 2 397.910 4.036 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)c2)cs1 ZINC000012903447 818192067 /nfs/dbraw/zinc/19/20/67/818192067.db2.gz FDCFPNKMQMPDSV-CQSZACIVSA-N 1 2 383.439 4.331 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@@H](C(F)(F)F)C3)c2)cs1 ZINC000012903447 818192071 /nfs/dbraw/zinc/19/20/71/818192071.db2.gz FDCFPNKMQMPDSV-CQSZACIVSA-N 1 2 383.439 4.331 20 0 GIADLO CC[C@H](Oc1cccc(C)c1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176907805 823321768 /nfs/dbraw/zinc/32/17/68/823321768.db2.gz MLPUGRJNTSPAQQ-QHCPKHFHSA-N 1 2 395.547 4.004 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000014327182 818235087 /nfs/dbraw/zinc/23/50/87/818235087.db2.gz AABQCWFDIHVHJR-GOSISDBHSA-N 1 2 394.515 4.234 20 0 GIADLO CCCC[C@H](CC)CNC(=S)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000015153024 818295556 /nfs/dbraw/zinc/29/55/56/818295556.db2.gz GHJADKNLIXCUHW-SFHVURJKSA-N 1 2 391.629 4.121 20 0 GIADLO COc1cc(-c2noc(C[N@H+](C)Cc3ccc(F)cc3)n2)ccc1OC(F)F ZINC000015298603 818308176 /nfs/dbraw/zinc/30/81/76/818308176.db2.gz QVVKWUKRQPVJRB-UHFFFAOYSA-N 1 2 393.365 4.118 20 0 GIADLO COc1cc(-c2noc(C[N@@H+](C)Cc3ccc(F)cc3)n2)ccc1OC(F)F ZINC000015298603 818308185 /nfs/dbraw/zinc/30/81/85/818308185.db2.gz QVVKWUKRQPVJRB-UHFFFAOYSA-N 1 2 393.365 4.118 20 0 GIADLO COc1cc(-c2noc(C[N@H+](C)Cc3cccs3)n2)ccc1OC(F)F ZINC000015299389 818309397 /nfs/dbraw/zinc/30/93/97/818309397.db2.gz OLXGCRLDAFXNNE-UHFFFAOYSA-N 1 2 381.404 4.040 20 0 GIADLO COc1cc(-c2noc(C[N@@H+](C)Cc3cccs3)n2)ccc1OC(F)F ZINC000015299389 818309402 /nfs/dbraw/zinc/30/94/02/818309402.db2.gz OLXGCRLDAFXNNE-UHFFFAOYSA-N 1 2 381.404 4.040 20 0 GIADLO CCc1sc(-c2nnc(C[N@H+](C)Cc3ccc4c(c3)OCCO4)o2)cc1C ZINC000015305113 818311172 /nfs/dbraw/zinc/31/11/72/818311172.db2.gz YYLTXVMUJAZHTI-UHFFFAOYSA-N 1 2 385.489 4.072 20 0 GIADLO CCc1sc(-c2nnc(C[N@@H+](C)Cc3ccc4c(c3)OCCO4)o2)cc1C ZINC000015305113 818311181 /nfs/dbraw/zinc/31/11/81/818311181.db2.gz YYLTXVMUJAZHTI-UHFFFAOYSA-N 1 2 385.489 4.072 20 0 GIADLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[C@H](c2ccc(OC)c(F)c2)C1 ZINC000409857738 823327982 /nfs/dbraw/zinc/32/79/82/823327982.db2.gz IHESPUAHTOMAHY-IEZWGBDMSA-N 1 2 391.870 4.108 20 0 GIADLO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2ccc(Br)s2)cc1C ZINC000015371842 818319062 /nfs/dbraw/zinc/31/90/62/818319062.db2.gz FRZJJBOIKPHOLC-AWEZNQCLSA-N 1 2 395.366 4.437 20 0 GIADLO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2ccc(Br)s2)cc1C ZINC000015371842 818319067 /nfs/dbraw/zinc/31/90/67/818319067.db2.gz FRZJJBOIKPHOLC-AWEZNQCLSA-N 1 2 395.366 4.437 20 0 GIADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015452158 818326850 /nfs/dbraw/zinc/32/68/50/818326850.db2.gz XBVYNMPSHCMNLR-DNVCBOLYSA-N 1 2 377.513 4.411 20 0 GIADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015452158 818326860 /nfs/dbraw/zinc/32/68/60/818326860.db2.gz XBVYNMPSHCMNLR-DNVCBOLYSA-N 1 2 377.513 4.411 20 0 GIADLO COc1ccc(C)cc1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000057782120 823332024 /nfs/dbraw/zinc/33/20/24/823332024.db2.gz CLDFTVVRLVZIGE-UHFFFAOYSA-N 1 2 394.544 4.472 20 0 GIADLO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000015521757 818333987 /nfs/dbraw/zinc/33/39/87/818333987.db2.gz QRSQASHHNXULOZ-INIZCTEOSA-N 1 2 385.817 4.473 20 0 GIADLO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000015521757 818333992 /nfs/dbraw/zinc/33/39/92/818333992.db2.gz QRSQASHHNXULOZ-INIZCTEOSA-N 1 2 385.817 4.473 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000015547323 818336264 /nfs/dbraw/zinc/33/62/64/818336264.db2.gz SSWOIJPJVZBNHM-LJQANCHMSA-N 1 2 394.544 4.499 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000015547323 818336271 /nfs/dbraw/zinc/33/62/71/818336271.db2.gz SSWOIJPJVZBNHM-LJQANCHMSA-N 1 2 394.544 4.499 20 0 GIADLO Clc1cccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000016339470 818426193 /nfs/dbraw/zinc/42/61/93/818426193.db2.gz NCFQZCHFQJIOGL-KRWDZBQOSA-N 1 2 397.862 4.498 20 0 GIADLO Clc1cccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000016339470 818426200 /nfs/dbraw/zinc/42/62/00/818426200.db2.gz NCFQZCHFQJIOGL-KRWDZBQOSA-N 1 2 397.862 4.498 20 0 GIADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000016373661 818429880 /nfs/dbraw/zinc/42/98/80/818429880.db2.gz JLTUBNPQHPLAQO-ZDUSSCGKSA-N 1 2 381.303 4.311 20 0 GIADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000016373661 818429884 /nfs/dbraw/zinc/42/98/84/818429884.db2.gz JLTUBNPQHPLAQO-ZDUSSCGKSA-N 1 2 381.303 4.311 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c(OC)c1 ZINC000016377162 818430596 /nfs/dbraw/zinc/43/05/96/818430596.db2.gz MFFOZHONQFSTEN-KRWDZBQOSA-N 1 2 392.499 4.166 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c(OC)c1 ZINC000016377162 818430602 /nfs/dbraw/zinc/43/06/02/818430602.db2.gz MFFOZHONQFSTEN-KRWDZBQOSA-N 1 2 392.499 4.166 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)Cc1cccs1 ZINC000016586831 818456020 /nfs/dbraw/zinc/45/60/20/818456020.db2.gz QOHWSZBPHRMGGS-INIZCTEOSA-N 1 2 385.514 4.212 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)Cc1cccs1 ZINC000016586831 818456026 /nfs/dbraw/zinc/45/60/26/818456026.db2.gz QOHWSZBPHRMGGS-INIZCTEOSA-N 1 2 385.514 4.212 20 0 GIADLO C[N@H+](CCOc1ccc(Cl)cc1Cl)Cc1nccn1CC(F)(F)F ZINC000057844472 823340375 /nfs/dbraw/zinc/34/03/75/823340375.db2.gz RPIHYFOLYMYTCP-UHFFFAOYSA-N 1 2 382.213 4.263 20 0 GIADLO C[N@@H+](CCOc1ccc(Cl)cc1Cl)Cc1nccn1CC(F)(F)F ZINC000057844472 823340381 /nfs/dbraw/zinc/34/03/81/823340381.db2.gz RPIHYFOLYMYTCP-UHFFFAOYSA-N 1 2 382.213 4.263 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccccc1N1CCCCC1 ZINC000122347112 823341801 /nfs/dbraw/zinc/34/18/01/823341801.db2.gz SUNQWVAXYAAWMG-UHFFFAOYSA-N 1 2 393.535 4.384 20 0 GIADLO COc1cccc(-c2nc(C[N@H+](C)C[C@@H]3COc4ccccc4O3)cs2)c1 ZINC000057871968 823343695 /nfs/dbraw/zinc/34/36/95/823343695.db2.gz XSXQNTNXNNNZOU-GOSISDBHSA-N 1 2 382.485 4.091 20 0 GIADLO COc1cccc(-c2nc(C[N@@H+](C)C[C@@H]3COc4ccccc4O3)cs2)c1 ZINC000057871968 823343697 /nfs/dbraw/zinc/34/36/97/823343697.db2.gz XSXQNTNXNNNZOU-GOSISDBHSA-N 1 2 382.485 4.091 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)C2 ZINC000572464705 823345142 /nfs/dbraw/zinc/34/51/42/823345142.db2.gz YGMISGJWZQFPMX-IIYDPXPESA-N 1 2 375.875 4.103 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)CC2 ZINC000572464705 823345148 /nfs/dbraw/zinc/34/51/48/823345148.db2.gz YGMISGJWZQFPMX-IIYDPXPESA-N 1 2 375.875 4.103 20 0 GIADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(Cl)c(Cl)c1 ZINC000018179012 818554696 /nfs/dbraw/zinc/55/46/96/818554696.db2.gz PFDQMVYNTYYKPB-MRXNPFEDSA-N 1 2 394.302 4.016 20 0 GIADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(Cl)c(Cl)c1 ZINC000018179012 818554701 /nfs/dbraw/zinc/55/47/01/818554701.db2.gz PFDQMVYNTYYKPB-MRXNPFEDSA-N 1 2 394.302 4.016 20 0 GIADLO CC(C)(C)n1cc(C(=O)Nc2cccc3[nH+]ccn32)c(-c2ccc(F)cc2F)n1 ZINC000460329009 823355478 /nfs/dbraw/zinc/35/54/78/823355478.db2.gz BQUUFXGAMSOXOU-UHFFFAOYSA-N 1 2 395.413 4.483 20 0 GIADLO O=C(CN(Cc1ccco1)c1cccc(Cl)c1)Nc1cccc2[nH+]ccn21 ZINC000460334310 823356834 /nfs/dbraw/zinc/35/68/34/823356834.db2.gz KEPYLKVYNBYZLY-UHFFFAOYSA-N 1 2 380.835 4.226 20 0 GIADLO Clc1ccc2onc(N3CCc4c([nH+]cn4CCc4ccccc4)C3)c2c1 ZINC000572537163 823356927 /nfs/dbraw/zinc/35/69/27/823356927.db2.gz AZEHDKHYDIPVBO-UHFFFAOYSA-N 1 2 378.863 4.483 20 0 GIADLO Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)c2ccc(Br)cc2n1 ZINC000460342452 823358989 /nfs/dbraw/zinc/35/89/89/823358989.db2.gz RQOYREFHOLKASR-UHFFFAOYSA-N 1 2 381.233 4.206 20 0 GIADLO Cc1cc(N)nc(SCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)[nH+]1 ZINC000022090654 818771166 /nfs/dbraw/zinc/77/11/66/818771166.db2.gz YNKWQDJDRBZLIN-LJQANCHMSA-N 1 2 398.919 4.019 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)C1(c2ccc(Cl)cc2)CC1 ZINC000022238269 818784771 /nfs/dbraw/zinc/78/47/71/818784771.db2.gz IUOWWVQLQDZTAT-UHFFFAOYSA-N 1 2 375.925 4.453 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000022289440 818790052 /nfs/dbraw/zinc/79/00/52/818790052.db2.gz UFSBDAISGCVSBM-UHFFFAOYSA-N 1 2 385.411 4.280 20 0 GIADLO Cc1ccc(OCCCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000022291510 818790997 /nfs/dbraw/zinc/79/09/97/818790997.db2.gz MYIVSHSEKMJKDF-UHFFFAOYSA-N 1 2 387.549 4.481 20 0 GIADLO CCn1c(C)cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1C ZINC000058130795 823363950 /nfs/dbraw/zinc/36/39/50/823363950.db2.gz IROKXQYMVPDFPT-IBGZPJMESA-N 1 2 391.918 4.484 20 0 GIADLO CC(C)[C@H]1C[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO1 ZINC000572596828 823367343 /nfs/dbraw/zinc/36/73/43/823367343.db2.gz LJKLYFLYHLZXES-LAUBAEHRSA-N 1 2 396.535 4.459 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@H+](C)CC3CCCC3)nc2N2CCCC2)cc1 ZINC000058207490 823368876 /nfs/dbraw/zinc/36/88/76/823368876.db2.gz RNVLOPMKLMHVSR-UHFFFAOYSA-N 1 2 385.581 4.391 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@@H+](C)CC3CCCC3)nc2N2CCCC2)cc1 ZINC000058207490 823368881 /nfs/dbraw/zinc/36/88/81/823368881.db2.gz RNVLOPMKLMHVSR-UHFFFAOYSA-N 1 2 385.581 4.391 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccccc2Br)c(OC)c1 ZINC000022777530 818859278 /nfs/dbraw/zinc/85/92/78/818859278.db2.gz NNYDBUZDSBVHJQ-LBPRGKRZSA-N 1 2 380.282 4.326 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@H](C)c2ccccc2Br)c(OC)c1 ZINC000022777535 818859680 /nfs/dbraw/zinc/85/96/80/818859680.db2.gz NNYDBUZDSBVHJQ-GFCCVEGCSA-N 1 2 380.282 4.326 20 0 GIADLO Fc1ccc(-c2nc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)no2)c(F)c1 ZINC000189172171 823369642 /nfs/dbraw/zinc/36/96/42/823369642.db2.gz DIEDHKRBNZPTIP-FQEVSTJZSA-N 1 2 399.397 4.027 20 0 GIADLO Clc1cccc(C[NH+]2CCN(Cc3csc(-c4ccccn4)n3)CC2)c1 ZINC000022911255 818875638 /nfs/dbraw/zinc/87/56/38/818875638.db2.gz UGZITOKDLJWGAZ-UHFFFAOYSA-N 1 2 384.936 4.176 20 0 GIADLO COc1cc(Br)ccc1C[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC000189184656 823371706 /nfs/dbraw/zinc/37/17/06/823371706.db2.gz WYJXSXOBKAYRJI-UHFFFAOYSA-N 1 2 386.721 4.258 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000410032188 823375177 /nfs/dbraw/zinc/37/51/77/823375177.db2.gz AOVOTGLMDABCPG-UHFFFAOYSA-N 1 2 394.441 4.103 20 0 GIADLO CN1CC[NH+](Cc2cccc(NC(=O)c3cscc3-c3ccccc3)c2)CC1 ZINC000572652979 823376227 /nfs/dbraw/zinc/37/62/27/823376227.db2.gz WJSBHSVBKULXSU-UHFFFAOYSA-N 1 2 391.540 4.415 20 0 GIADLO Cc1cc(C(=O)CCc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c(C)s1 ZINC000572655921 823376664 /nfs/dbraw/zinc/37/66/64/823376664.db2.gz QVQMOBDCMXKEJC-UHFFFAOYSA-N 1 2 392.484 4.475 20 0 GIADLO COc1cc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)c(OC)cc1Cl ZINC000023668453 818971891 /nfs/dbraw/zinc/97/18/91/818971891.db2.gz QIGQVWLDFMYASF-LLVKDONJSA-N 1 2 398.837 4.267 20 0 GIADLO COc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)c(OC)cc1Cl ZINC000023668453 818971896 /nfs/dbraw/zinc/97/18/96/818971896.db2.gz QIGQVWLDFMYASF-LLVKDONJSA-N 1 2 398.837 4.267 20 0 GIADLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cnn1-c1ccc(Cl)cc1 ZINC000023890494 818990138 /nfs/dbraw/zinc/99/01/38/818990138.db2.gz MOVCRBHEFQDIHO-UHFFFAOYSA-N 1 2 377.835 4.272 20 0 GIADLO CC(C)COc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000460407663 823379179 /nfs/dbraw/zinc/37/91/79/823379179.db2.gz UCLRYWTUVXENRO-HXUWFJFHSA-N 1 2 384.524 4.231 20 0 GIADLO O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050793 819016219 /nfs/dbraw/zinc/01/62/19/819016219.db2.gz CTVZWJNFWQYPTL-UHFFFAOYSA-N 1 2 398.470 4.110 20 0 GIADLO Cc1nc(-c2ccc(CCNC(=O)c3ccc(-n4cc[nH+]c4)cc3)s2)cs1 ZINC000024050585 819016408 /nfs/dbraw/zinc/01/64/08/819016408.db2.gz FQGQEILEMCRUHZ-UHFFFAOYSA-N 1 2 394.525 4.338 20 0 GIADLO CCCOc1ccc(C(=O)CCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000058383307 823384565 /nfs/dbraw/zinc/38/45/65/823384565.db2.gz WHTJNPKRJSKNSN-UHFFFAOYSA-N 1 2 377.444 4.263 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1[nH]c2ccccc2c1Br ZINC000058383623 823384690 /nfs/dbraw/zinc/38/46/90/823384690.db2.gz IKXLQZDGAHSSTK-UHFFFAOYSA-N 1 2 381.233 4.368 20 0 GIADLO CN(C)c1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1F ZINC000572703130 823386112 /nfs/dbraw/zinc/38/61/12/823386112.db2.gz HWRMWVPBMZYKIO-UHFFFAOYSA-N 1 2 378.451 4.344 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000122648657 823387606 /nfs/dbraw/zinc/38/76/06/823387606.db2.gz DBWBUGHJPGZTSN-UHFFFAOYSA-N 1 2 382.467 4.342 20 0 GIADLO CC[C@@H](c1nnc(SC[C@@H](O)CC(F)(F)F)n1C1CCCCC1)[NH+](C)C ZINC000189319566 823393233 /nfs/dbraw/zinc/39/32/33/823393233.db2.gz VKDFDEJBLRSEPU-KBPBESRZSA-N 1 2 394.507 4.201 20 0 GIADLO CCc1ccccc1NC(=O)C[N@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000122681578 823393396 /nfs/dbraw/zinc/39/33/96/823393396.db2.gz GSZHSPHWOMCUTG-UHFFFAOYSA-N 1 2 398.894 4.065 20 0 GIADLO CCc1ccccc1NC(=O)C[N@@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000122681578 823393403 /nfs/dbraw/zinc/39/34/03/823393403.db2.gz GSZHSPHWOMCUTG-UHFFFAOYSA-N 1 2 398.894 4.065 20 0 GIADLO Cc1cc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1C1CC1 ZINC000058424970 823389683 /nfs/dbraw/zinc/38/96/83/823389683.db2.gz QAZSKWFPWXCDQU-CALCHBBNSA-N 1 2 381.520 4.301 20 0 GIADLO Cc1cc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1C1CC1 ZINC000058424970 823389687 /nfs/dbraw/zinc/38/96/87/823389687.db2.gz QAZSKWFPWXCDQU-CALCHBBNSA-N 1 2 381.520 4.301 20 0 GIADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000122707953 823398287 /nfs/dbraw/zinc/39/82/87/823398287.db2.gz JDBHSAKXSXLMRU-OAHLLOKOSA-N 1 2 384.332 4.170 20 0 GIADLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000122707953 823398294 /nfs/dbraw/zinc/39/82/94/823398294.db2.gz JDBHSAKXSXLMRU-OAHLLOKOSA-N 1 2 384.332 4.170 20 0 GIADLO CC(C)(C)c1ccc(CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000410135098 823399083 /nfs/dbraw/zinc/39/90/83/823399083.db2.gz OWLPNUIHICSAQM-UHFFFAOYSA-N 1 2 380.536 4.021 20 0 GIADLO NC(=O)c1csc(C[NH2+][C@H](c2cccnc2)c2cccc(C(F)(F)F)c2)c1 ZINC000122728344 823401449 /nfs/dbraw/zinc/40/14/49/823401449.db2.gz XVTMIZNORXVGGL-KRWDZBQOSA-N 1 2 391.418 4.140 20 0 GIADLO Fc1ccc(Cn2cc(C[NH2+][C@H](c3cccc(F)c3)c3ccccn3)cn2)cc1 ZINC000189378863 823404089 /nfs/dbraw/zinc/40/40/89/823404089.db2.gz IIZPECRRKXOOJZ-HSZRJFAPSA-N 1 2 390.437 4.484 20 0 GIADLO COc1ccccc1C[C@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2)[nH]c1=S ZINC000058540070 823406187 /nfs/dbraw/zinc/40/61/87/823406187.db2.gz ZATRVOCLHCXHAZ-GOSISDBHSA-N 1 2 380.517 4.281 20 0 GIADLO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1nc(-c2ccccc2)[nH]c1=S ZINC000058540070 823406190 /nfs/dbraw/zinc/40/61/90/823406190.db2.gz ZATRVOCLHCXHAZ-GOSISDBHSA-N 1 2 380.517 4.281 20 0 GIADLO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C)c1ccccc1F ZINC000572863337 823410881 /nfs/dbraw/zinc/41/08/81/823410881.db2.gz ZPDOXQGNVJZQCF-QHAWAJNXSA-N 1 2 379.479 4.484 20 0 GIADLO CC(=O)N1CC[NH+](Cc2ccccc2NCc2cnc(C3CCCC3)s2)CC1 ZINC000189445281 823418079 /nfs/dbraw/zinc/41/80/79/823418079.db2.gz MBZCHHKXQRWOQN-UHFFFAOYSA-N 1 2 398.576 4.077 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c1C ZINC000058624727 823418909 /nfs/dbraw/zinc/41/89/09/823418909.db2.gz WGUAISBMQHGYPB-UHFFFAOYSA-N 1 2 396.491 4.028 20 0 GIADLO CCOc1ccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1Cl ZINC000058629334 823419598 /nfs/dbraw/zinc/41/95/98/823419598.db2.gz OFIPVVSBXOXXLF-UHFFFAOYSA-N 1 2 377.872 4.423 20 0 GIADLO Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000122890536 823429691 /nfs/dbraw/zinc/42/96/91/823429691.db2.gz AHHFOCJFIWQURT-PGRDOPGGSA-N 1 2 387.483 4.146 20 0 GIADLO COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(Cn3cc[nH+]c3)c1)[C@H]2C ZINC000573004480 823432491 /nfs/dbraw/zinc/43/24/91/823432491.db2.gz DTYIOYIHQDDGEU-IRXDYDNUSA-N 1 2 375.472 4.088 20 0 GIADLO O=C(N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1(c2cccc(Cl)c2)CC1 ZINC000410252181 823434716 /nfs/dbraw/zinc/43/47/16/823434716.db2.gz MOJDZSTUGZTAEA-MRXNPFEDSA-N 1 2 383.923 4.311 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1C ZINC000024666744 819861972 /nfs/dbraw/zinc/86/19/72/819861972.db2.gz XZOKCFPJJFPLBO-DOTOQJQBSA-N 1 2 393.487 4.426 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1C ZINC000024666744 819861984 /nfs/dbraw/zinc/86/19/84/819861984.db2.gz XZOKCFPJJFPLBO-DOTOQJQBSA-N 1 2 393.487 4.426 20 0 GIADLO Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H](C)CO2)c1 ZINC000460565303 823434992 /nfs/dbraw/zinc/43/49/92/823434992.db2.gz OBDSVTATDRJXOQ-GCJKJVERSA-N 1 2 375.472 4.091 20 0 GIADLO C[C@@H](CSc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410254469 823435346 /nfs/dbraw/zinc/43/53/46/823435346.db2.gz GICVYGVMZCEEKN-ROUUACIJSA-N 1 2 383.561 4.354 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CSCc3ccc(F)cc3)n2)C1 ZINC000024886471 819889011 /nfs/dbraw/zinc/88/90/11/819889011.db2.gz VBBCPXSKCQHMFX-CQSZACIVSA-N 1 2 393.553 4.386 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CSCc3ccc(F)cc3)n2)C1 ZINC000024886471 819889019 /nfs/dbraw/zinc/88/90/19/819889019.db2.gz VBBCPXSKCQHMFX-CQSZACIVSA-N 1 2 393.553 4.386 20 0 GIADLO CSc1ccccc1NC(=O)CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000024896353 819890729 /nfs/dbraw/zinc/89/07/29/819890729.db2.gz ZZMNSSVHLUYIEP-JXMROGBWSA-N 1 2 395.572 4.068 20 0 GIADLO O=C(C[C@@H]1CCc2ccccc2C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410260893 823438169 /nfs/dbraw/zinc/43/81/69/823438169.db2.gz WJCLMPKISBJIMB-NQIIRXRSSA-N 1 2 377.532 4.121 20 0 GIADLO O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410260895 823438184 /nfs/dbraw/zinc/43/81/84/823438184.db2.gz WJCLMPKISBJIMB-RXVVDRJESA-N 1 2 377.532 4.121 20 0 GIADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cccc2ccc(=O)[nH]c21 ZINC000573040738 823438324 /nfs/dbraw/zinc/43/83/24/823438324.db2.gz OBDYBLGOMGEKKE-UHFFFAOYSA-N 1 2 382.423 4.108 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC ZINC000025221819 819945696 /nfs/dbraw/zinc/94/56/96/819945696.db2.gz BOFLPEXOGWEMQM-UHFFFAOYSA-N 1 2 376.884 4.045 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC ZINC000025221819 819945701 /nfs/dbraw/zinc/94/57/01/819945701.db2.gz BOFLPEXOGWEMQM-UHFFFAOYSA-N 1 2 376.884 4.045 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3scnc3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189545530 823441286 /nfs/dbraw/zinc/44/12/86/823441286.db2.gz JNRVXBZPFFWFCT-YJBOKZPZSA-N 1 2 388.443 4.141 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc3scnc3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189545530 823441287 /nfs/dbraw/zinc/44/12/87/823441287.db2.gz JNRVXBZPFFWFCT-YJBOKZPZSA-N 1 2 388.443 4.141 20 0 GIADLO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c(OC)cc1Cl ZINC000025445725 819981596 /nfs/dbraw/zinc/98/15/96/819981596.db2.gz DDSJZHOPKIXCSI-QGZVFWFLSA-N 1 2 392.858 4.272 20 0 GIADLO COc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c(OC)cc1Cl ZINC000025445725 819981603 /nfs/dbraw/zinc/98/16/03/819981603.db2.gz DDSJZHOPKIXCSI-QGZVFWFLSA-N 1 2 392.858 4.272 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(=S)n(C[N@H+](C)[C@H]3CCC[C@@H](C)C3)c2c1 ZINC000025484817 819990043 /nfs/dbraw/zinc/99/00/43/819990043.db2.gz HUTJBZZUPYSSDE-KGLIPLIRSA-N 1 2 382.551 4.225 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](C)[C@H]3CCC[C@@H](C)C3)c2c1 ZINC000025484817 819990049 /nfs/dbraw/zinc/99/00/49/819990049.db2.gz HUTJBZZUPYSSDE-KGLIPLIRSA-N 1 2 382.551 4.225 20 0 GIADLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000025530520 819997033 /nfs/dbraw/zinc/99/70/33/819997033.db2.gz HAOUBFMXOKHTOG-ROUUACIJSA-N 1 2 396.487 4.081 20 0 GIADLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000025530520 819997042 /nfs/dbraw/zinc/99/70/42/819997042.db2.gz HAOUBFMXOKHTOG-ROUUACIJSA-N 1 2 396.487 4.081 20 0 GIADLO Cc1ccc(-c2nc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)cs2)cc1 ZINC000025666159 820012541 /nfs/dbraw/zinc/01/25/41/820012541.db2.gz VJGCTSFLNWKLQV-UHFFFAOYSA-N 1 2 388.496 4.293 20 0 GIADLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]2C ZINC000189564357 823445157 /nfs/dbraw/zinc/44/51/57/823445157.db2.gz WGIYIGSDMZFHMV-LBPRGKRZSA-N 1 2 396.322 4.114 20 0 GIADLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]2C ZINC000189564357 823445160 /nfs/dbraw/zinc/44/51/60/823445160.db2.gz WGIYIGSDMZFHMV-LBPRGKRZSA-N 1 2 396.322 4.114 20 0 GIADLO O=C(c1cc(C(F)(F)F)ccc1F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410276312 823445154 /nfs/dbraw/zinc/44/51/54/823445154.db2.gz NXIBLLXXEQBTRL-ZDUSSCGKSA-N 1 2 395.400 4.397 20 0 GIADLO C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410280658 823446705 /nfs/dbraw/zinc/44/67/05/823446705.db2.gz YZEJRWARDGJUBS-MOPGFXCFSA-N 1 2 381.520 4.031 20 0 GIADLO O=C(c1cccc(C(F)(F)F)c1F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281526 823447414 /nfs/dbraw/zinc/44/74/14/823447414.db2.gz KOBVNLMFPJFQAX-CYBMUJFWSA-N 1 2 395.400 4.397 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)s1 ZINC000410283629 823448253 /nfs/dbraw/zinc/44/82/53/823448253.db2.gz SYYCTSZVFTXUKH-ZIAGYGMSSA-N 1 2 377.941 4.444 20 0 GIADLO Cc1ccc(F)cc1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000025995086 820047764 /nfs/dbraw/zinc/04/77/64/820047764.db2.gz OVFAAOYLZOKGFD-UHFFFAOYSA-N 1 2 380.385 4.111 20 0 GIADLO O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410284386 823448525 /nfs/dbraw/zinc/44/85/25/823448525.db2.gz VLAANMOGVBQTMC-INIZCTEOSA-N 1 2 391.437 4.187 20 0 GIADLO C[C@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000026114839 820059841 /nfs/dbraw/zinc/05/98/41/820059841.db2.gz RHLKWQGAYGINFC-OAHLLOKOSA-N 1 2 388.458 4.342 20 0 GIADLO O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000026215885 820070273 /nfs/dbraw/zinc/07/02/73/820070273.db2.gz YODRGHVXVYKHPY-UHFFFAOYSA-N 1 2 388.298 4.140 20 0 GIADLO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000026214648 820070348 /nfs/dbraw/zinc/07/03/48/820070348.db2.gz RISBSCFLDDTGGD-QGZVFWFLSA-N 1 2 397.906 4.019 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)c(OC)c1 ZINC000026323544 820083399 /nfs/dbraw/zinc/08/33/99/820083399.db2.gz CPHCSJAWJNPNNU-AWEZNQCLSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)c(OC)c1 ZINC000026323544 820083409 /nfs/dbraw/zinc/08/34/09/820083409.db2.gz CPHCSJAWJNPNNU-AWEZNQCLSA-N 1 2 376.884 4.125 20 0 GIADLO O=C(Cc1cccc(Cl)c1Cl)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410290401 823451393 /nfs/dbraw/zinc/45/13/93/823451393.db2.gz RLEKRKKSOAUGIN-HNNXBMFYSA-N 1 2 392.330 4.475 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(SC)cc2)cc1OC(F)F ZINC000026453435 820099361 /nfs/dbraw/zinc/09/93/61/820099361.db2.gz LCKVGNYCAGFTDQ-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(SC)cc2)cc1OC(F)F ZINC000026453435 820099371 /nfs/dbraw/zinc/09/93/71/820099371.db2.gz LCKVGNYCAGFTDQ-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000177411148 823455640 /nfs/dbraw/zinc/45/56/40/823455640.db2.gz UYIWJDUWJZFXHZ-UGSOOPFHSA-N 1 2 385.851 4.030 20 0 GIADLO CC(C)c1ccc(CCNC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000026879646 820157098 /nfs/dbraw/zinc/15/70/98/820157098.db2.gz JFWIKLBOOODMJW-RUZDIDTESA-N 1 2 387.527 4.243 20 0 GIADLO Cc1cc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)nc(C(C)C)[nH+]1 ZINC000026909445 820163180 /nfs/dbraw/zinc/16/31/80/820163180.db2.gz WWYDWOFPPUAVMD-UHFFFAOYSA-N 1 2 395.482 4.025 20 0 GIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccccc2OC2CC2)c(C)c1 ZINC000573162756 823457550 /nfs/dbraw/zinc/45/75/50/823457550.db2.gz QQMCTPIFCWRPLL-NRFANRHFSA-N 1 2 375.472 4.212 20 0 GIADLO O=C(C[N@H+](Cc1cccs1)C1CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000027108163 820194530 /nfs/dbraw/zinc/19/45/30/820194530.db2.gz OHNYSUMVBMLYMA-UHFFFAOYSA-N 1 2 397.544 4.024 20 0 GIADLO O=C(C[N@@H+](Cc1cccs1)C1CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000027108163 820194538 /nfs/dbraw/zinc/19/45/38/820194538.db2.gz OHNYSUMVBMLYMA-UHFFFAOYSA-N 1 2 397.544 4.024 20 0 GIADLO O=C(Nc1cccc(N2CCCCC2)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058834398 823461004 /nfs/dbraw/zinc/46/10/04/823461004.db2.gz FULKOPPDNXIOTC-JOCHJYFZSA-N 1 2 395.572 4.406 20 0 GIADLO CC(C)(Oc1ccc(F)cc1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410316155 823461189 /nfs/dbraw/zinc/46/11/89/823461189.db2.gz LJOCVSVVYMKMDT-UHFFFAOYSA-N 1 2 385.483 4.075 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(Br)cc1 ZINC000410317461 823461462 /nfs/dbraw/zinc/46/14/62/823461462.db2.gz RYIQIWMAEHZGOG-UHFFFAOYSA-N 1 2 388.309 4.155 20 0 GIADLO O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410326030 823463688 /nfs/dbraw/zinc/46/36/88/823463688.db2.gz NLAOGORYRQWBBH-CQSZACIVSA-N 1 2 395.400 4.397 20 0 GIADLO COC(=O)c1c(CC(C)C)csc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410327208 823464366 /nfs/dbraw/zinc/46/43/66/823464366.db2.gz IDPCQTXUNYQNPN-UHFFFAOYSA-N 1 2 397.500 4.230 20 0 GIADLO CCn1c2ccccc2n(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1=S ZINC000027540817 820257851 /nfs/dbraw/zinc/25/78/51/820257851.db2.gz FXRHIWYGGBMCBO-UHFFFAOYSA-N 1 2 394.544 4.174 20 0 GIADLO CCn1c2ccccc2n(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1=S ZINC000027540817 820257858 /nfs/dbraw/zinc/25/78/58/820257858.db2.gz FXRHIWYGGBMCBO-UHFFFAOYSA-N 1 2 394.544 4.174 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000027544851 820258593 /nfs/dbraw/zinc/25/85/93/820258593.db2.gz UACKXIZFDKOFSY-UHFFFAOYSA-N 1 2 375.403 4.261 20 0 GIADLO C[C@H](c1cccs1)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000027554912 820258964 /nfs/dbraw/zinc/25/89/64/820258964.db2.gz JZDXNBKSWMIIJZ-GDBMZVCRSA-N 1 2 383.473 4.305 20 0 GIADLO C[C@H](c1cccs1)[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000027554912 820258972 /nfs/dbraw/zinc/25/89/72/820258972.db2.gz JZDXNBKSWMIIJZ-GDBMZVCRSA-N 1 2 383.473 4.305 20 0 GIADLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)N[C@H](C)c3cc4ccccc4o3)CC2)c1 ZINC000027881849 820293062 /nfs/dbraw/zinc/29/30/62/820293062.db2.gz OILOBMVMFSVPAJ-RTBURBONSA-N 1 2 391.515 4.129 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(Cl)c1 ZINC000027952140 820300329 /nfs/dbraw/zinc/30/03/29/820300329.db2.gz JPHJULSCTOZHFW-IAGOWNOFSA-N 1 2 399.922 4.326 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(Cl)c1 ZINC000027952140 820300340 /nfs/dbraw/zinc/30/03/40/820300340.db2.gz JPHJULSCTOZHFW-IAGOWNOFSA-N 1 2 399.922 4.326 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000123155889 823471356 /nfs/dbraw/zinc/47/13/56/823471356.db2.gz GVHVKIIFERELGD-HKUYNNGSSA-N 1 2 377.410 4.369 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000123155889 823471360 /nfs/dbraw/zinc/47/13/60/823471360.db2.gz GVHVKIIFERELGD-HKUYNNGSSA-N 1 2 377.410 4.369 20 0 GIADLO CCn1c2ccccc2[nH+]c1NCc1cc(OC)ccc1OCc1ccccn1 ZINC000460665230 823471403 /nfs/dbraw/zinc/47/14/03/823471403.db2.gz YULROTHDGQYETE-UHFFFAOYSA-N 1 2 388.471 4.073 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1cccc(OC(F)(F)F)c1 ZINC000573236364 823469175 /nfs/dbraw/zinc/46/91/75/823469175.db2.gz XCAGRLHERUHHCU-UHFFFAOYSA-N 1 2 390.365 4.152 20 0 GIADLO Fc1cc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c2c(c1)COCO2 ZINC000028264393 820321455 /nfs/dbraw/zinc/32/14/55/820321455.db2.gz YGJSBUATRCNBLY-UHFFFAOYSA-N 1 2 390.886 4.054 20 0 GIADLO Fc1cc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c2c(c1)COCO2 ZINC000028264393 820321465 /nfs/dbraw/zinc/32/14/65/820321465.db2.gz YGJSBUATRCNBLY-UHFFFAOYSA-N 1 2 390.886 4.054 20 0 GIADLO Cc1cccc(OCCCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000028683219 820350682 /nfs/dbraw/zinc/35/06/82/820350682.db2.gz WNLRZDDUBFMFFY-QGZVFWFLSA-N 1 2 387.549 4.481 20 0 GIADLO Cc1cccc(OCCCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000028683219 820350692 /nfs/dbraw/zinc/35/06/92/820350692.db2.gz WNLRZDDUBFMFFY-QGZVFWFLSA-N 1 2 387.549 4.481 20 0 GIADLO COc1ccc(OC)c(C[N@H+](CC(=O)N(Cc2ccccc2)C(C)C)C2CC2)c1 ZINC000028980434 820379684 /nfs/dbraw/zinc/37/96/84/820379684.db2.gz AZSLKPZEMNNWPX-UHFFFAOYSA-N 1 2 396.531 4.105 20 0 GIADLO COc1ccc(OC)c(C[N@@H+](CC(=O)N(Cc2ccccc2)C(C)C)C2CC2)c1 ZINC000028980434 820379695 /nfs/dbraw/zinc/37/96/95/820379695.db2.gz AZSLKPZEMNNWPX-UHFFFAOYSA-N 1 2 396.531 4.105 20 0 GIADLO CCn1c2ccccc2[nH+]c1NCc1csc(COc2ccc(OC)cc2)n1 ZINC000460677486 823475881 /nfs/dbraw/zinc/47/58/81/823475881.db2.gz XBJZSWVIVLCVFL-UHFFFAOYSA-N 1 2 394.500 4.134 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1C ZINC000058957931 823476055 /nfs/dbraw/zinc/47/60/55/823476055.db2.gz XRMCABQSKJTUQK-JKSUJKDBSA-N 1 2 392.421 4.488 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2csc(-c3ccc(C)cc3)n2)c1C ZINC000058958283 823476362 /nfs/dbraw/zinc/47/63/62/823476362.db2.gz MLSKPMGOSDTYLW-UHFFFAOYSA-N 1 2 395.528 4.340 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)n(Cc3ccccc3)c2C)c1C ZINC000058958281 823476381 /nfs/dbraw/zinc/47/63/81/823476381.db2.gz NFCCVOFSYYLCER-UHFFFAOYSA-N 1 2 391.515 4.446 20 0 GIADLO CCCc1ccc(C(=O)CCC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000058958578 823476437 /nfs/dbraw/zinc/47/64/37/823476437.db2.gz CFRRFNWIUACGJE-UHFFFAOYSA-N 1 2 382.504 4.281 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2csc(-c3ccccc3)n2)c1C ZINC000058958267 823476443 /nfs/dbraw/zinc/47/64/43/823476443.db2.gz VLEQLVKMWBGBOB-UHFFFAOYSA-N 1 2 381.501 4.032 20 0 GIADLO Cc1ccoc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000029256382 820420572 /nfs/dbraw/zinc/42/05/72/820420572.db2.gz UHSVCNMKEHMHJU-UHFFFAOYSA-N 1 2 384.476 4.414 20 0 GIADLO C/C(=C\C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000177504176 823478564 /nfs/dbraw/zinc/47/85/64/823478564.db2.gz IXKMXXGXOCKJJG-KKPOOLQDSA-N 1 2 377.410 4.415 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCSc4ccccc43)CC2)cc1 ZINC000460687185 823479810 /nfs/dbraw/zinc/47/98/10/823479810.db2.gz LIAGTRVEWCGFCA-NRFANRHFSA-N 1 2 396.556 4.009 20 0 GIADLO C/C(=C\C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(C(F)(F)F)c1 ZINC000177517126 823480688 /nfs/dbraw/zinc/48/06/88/823480688.db2.gz RGVXVVCTCJWZGG-QPXUBEEGSA-N 1 2 377.410 4.415 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C2CC2)o1 ZINC000123230770 823482430 /nfs/dbraw/zinc/48/24/30/823482430.db2.gz HWUBGLNJYNPDQN-KEYYUXOJSA-N 1 2 384.442 4.168 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C2CC2)o1 ZINC000123230770 823482434 /nfs/dbraw/zinc/48/24/34/823482434.db2.gz HWUBGLNJYNPDQN-KEYYUXOJSA-N 1 2 384.442 4.168 20 0 GIADLO Cc1ccc(-c2nsc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)n2)s1 ZINC000573347702 823482581 /nfs/dbraw/zinc/48/25/81/823482581.db2.gz HBKYECYLDQAEKG-UHFFFAOYSA-N 1 2 381.486 4.072 20 0 GIADLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nnnn2C2CCCCC2)cc1OCC ZINC000189734620 823484115 /nfs/dbraw/zinc/48/41/15/823484115.db2.gz HVYDVWWMUSMMAW-HOTGVXAUSA-N 1 2 387.528 4.388 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](Cc2csc(-c3ccc(C)o3)n2)C2CC2)cc1 ZINC000029718596 820505868 /nfs/dbraw/zinc/50/58/68/820505868.db2.gz OFVOHBJAMQOHQJ-UHFFFAOYSA-N 1 2 381.501 4.236 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](Cc2csc(-c3ccc(C)o3)n2)C2CC2)cc1 ZINC000029718596 820505871 /nfs/dbraw/zinc/50/58/71/820505871.db2.gz OFVOHBJAMQOHQJ-UHFFFAOYSA-N 1 2 381.501 4.236 20 0 GIADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827671 820526647 /nfs/dbraw/zinc/52/66/47/820526647.db2.gz RJLKRXJKUPGZTD-DOTOQJQBSA-N 1 2 391.471 4.237 20 0 GIADLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827671 820526652 /nfs/dbraw/zinc/52/66/52/820526652.db2.gz RJLKRXJKUPGZTD-DOTOQJQBSA-N 1 2 391.471 4.237 20 0 GIADLO CCn1c(C[NH2+]Cc2ccc(OC)cc2F)nc2cc(Br)ccc21 ZINC000573378660 823486401 /nfs/dbraw/zinc/48/64/01/823486401.db2.gz QUFIMYXWUUCCGV-UHFFFAOYSA-N 1 2 392.272 4.256 20 0 GIADLO CCc1noc(C)c1NC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189748943 823487280 /nfs/dbraw/zinc/48/72/80/823487280.db2.gz KISDDJWYBZBXAX-FUHWJXTLSA-N 1 2 394.878 4.295 20 0 GIADLO CCc1noc(C)c1NC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189748943 823487283 /nfs/dbraw/zinc/48/72/83/823487283.db2.gz KISDDJWYBZBXAX-FUHWJXTLSA-N 1 2 394.878 4.295 20 0 GIADLO CC(C)[C@H]([NH2+]Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)c1ccccc1 ZINC000029977475 820559774 /nfs/dbraw/zinc/55/97/74/820559774.db2.gz GOUCVKNIWNCKLE-SFHVURJKSA-N 1 2 384.480 4.416 20 0 GIADLO Cc1ccc(C)n1-c1sccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030012820 820569143 /nfs/dbraw/zinc/56/91/43/820569143.db2.gz FPIGQILLNZQRAL-UHFFFAOYSA-N 1 2 380.517 4.081 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)COC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189756834 823489187 /nfs/dbraw/zinc/48/91/87/823489187.db2.gz CKYSWZXUTMGZIR-OALUTQOASA-N 1 2 389.858 4.076 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)COC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189756834 823489190 /nfs/dbraw/zinc/48/91/90/823489190.db2.gz CKYSWZXUTMGZIR-OALUTQOASA-N 1 2 389.858 4.076 20 0 GIADLO C[N@@H+]1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)[C@@H](c2ccccc2)C1 ZINC000030030759 820571508 /nfs/dbraw/zinc/57/15/08/820571508.db2.gz IVJLRRJIGFBRGW-OAQYLSRUSA-N 1 2 394.446 4.127 20 0 GIADLO C[N@H+]1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)[C@@H](c2ccccc2)C1 ZINC000030030759 820571513 /nfs/dbraw/zinc/57/15/13/820571513.db2.gz IVJLRRJIGFBRGW-OAQYLSRUSA-N 1 2 394.446 4.127 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)NCc1ccccc1F ZINC000059390624 823494917 /nfs/dbraw/zinc/49/49/17/823494917.db2.gz SMPRXLVSUDJSKV-SFHVURJKSA-N 1 2 391.284 4.042 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1cccc(Br)c1)NCc1ccccc1F ZINC000059390624 823494922 /nfs/dbraw/zinc/49/49/22/823494922.db2.gz SMPRXLVSUDJSKV-SFHVURJKSA-N 1 2 391.284 4.042 20 0 GIADLO C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@@H](C)c1ccccc1 ZINC000573426866 823491966 /nfs/dbraw/zinc/49/19/66/823491966.db2.gz REFHYTMCCUSRRS-QZTJIDSGSA-N 1 2 380.536 4.301 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000123327443 823496957 /nfs/dbraw/zinc/49/69/57/823496957.db2.gz RALRQQWSCRGZLW-ABAIWWIYSA-N 1 2 382.689 4.022 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000060060554 823506076 /nfs/dbraw/zinc/50/60/76/823506076.db2.gz AUMGYEATDZDTFP-UHFFFAOYSA-N 1 2 375.350 4.233 20 0 GIADLO O=C(NCc1ccccc1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031092501 820738429 /nfs/dbraw/zinc/73/84/29/820738429.db2.gz LWMFPYYZSYWURN-SFHVURJKSA-N 1 2 375.875 4.115 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000189839806 823504452 /nfs/dbraw/zinc/50/44/52/823504452.db2.gz UICXJSKTUQKYJI-CABCVRRESA-N 1 2 397.502 4.223 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)C[C@H]1COc2ccccc2O1 ZINC000031173306 820759000 /nfs/dbraw/zinc/75/90/00/820759000.db2.gz LYRNQDICCHPGST-SFHVURJKSA-N 1 2 382.504 4.219 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)C[C@H]1COc2ccccc2O1 ZINC000031173306 820759005 /nfs/dbraw/zinc/75/90/05/820759005.db2.gz LYRNQDICCHPGST-SFHVURJKSA-N 1 2 382.504 4.219 20 0 GIADLO COc1ccc2cc(C(=O)Nc3nc(C[NH+]4CCC(C)CC4)cs3)[nH]c2c1 ZINC000031264244 820780652 /nfs/dbraw/zinc/78/06/52/820780652.db2.gz MTVBRHRSNZFEFM-UHFFFAOYSA-N 1 2 384.505 4.117 20 0 GIADLO CC[C@@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C1CCC(C)CC1 ZINC000460760632 823505847 /nfs/dbraw/zinc/50/58/47/823505847.db2.gz UJAUTOVHJZXRHO-OBFZPWGMSA-N 1 2 399.579 4.058 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000189857587 823506698 /nfs/dbraw/zinc/50/66/98/823506698.db2.gz AECJVYNIILSQSK-OLZOCXBDSA-N 1 2 383.418 4.489 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2C)ccc1SC ZINC000060212930 823512127 /nfs/dbraw/zinc/51/21/27/823512127.db2.gz FJBIVDRXJBIKQH-UHFFFAOYSA-N 1 2 378.925 4.449 20 0 GIADLO O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000060127865 823509356 /nfs/dbraw/zinc/50/93/56/823509356.db2.gz SLMHOHBQVZCLST-UHFFFAOYSA-N 1 2 390.270 4.450 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)ccc1SC ZINC000060212930 823512133 /nfs/dbraw/zinc/51/21/33/823512133.db2.gz FJBIVDRXJBIKQH-UHFFFAOYSA-N 1 2 378.925 4.449 20 0 GIADLO Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ncc(C(C)(C)C)o3)CC2)s1 ZINC000177665774 823510501 /nfs/dbraw/zinc/51/05/01/823510501.db2.gz DGWDETPNKMIHAD-CQSZACIVSA-N 1 2 375.538 4.297 20 0 GIADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccnc(Cl)c1 ZINC000031891052 820870425 /nfs/dbraw/zinc/87/04/25/820870425.db2.gz CNOZYEOAOWDGTE-HNNXBMFYSA-N 1 2 382.266 4.094 20 0 GIADLO Cn1cc(Cl)cc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031892878 820870852 /nfs/dbraw/zinc/87/08/52/820870852.db2.gz HZUAJGCFIKCAHV-MRXNPFEDSA-N 1 2 384.282 4.038 20 0 GIADLO O=C(CCc1ccsc1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031894665 820871547 /nfs/dbraw/zinc/87/15/47/820871547.db2.gz AIGAXNPANDGFAY-KRWDZBQOSA-N 1 2 380.916 4.427 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)c1C ZINC000123458592 823511176 /nfs/dbraw/zinc/51/11/76/823511176.db2.gz OMEKWLBINYZAER-JKSUJKDBSA-N 1 2 394.393 4.026 20 0 GIADLO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)c1O ZINC000189922958 823514251 /nfs/dbraw/zinc/51/42/51/823514251.db2.gz HHMOZIKYYZLAGR-CQSZACIVSA-N 1 2 383.311 4.265 20 0 GIADLO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2c2csc(C)n2)c1O ZINC000189922958 823514253 /nfs/dbraw/zinc/51/42/53/823514253.db2.gz HHMOZIKYYZLAGR-CQSZACIVSA-N 1 2 383.311 4.265 20 0 GIADLO O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000060350600 823518072 /nfs/dbraw/zinc/51/80/72/823518072.db2.gz QPDKXJFFXMHAKX-GOSISDBHSA-N 1 2 386.879 4.104 20 0 GIADLO O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000060350600 823518074 /nfs/dbraw/zinc/51/80/74/823518074.db2.gz QPDKXJFFXMHAKX-GOSISDBHSA-N 1 2 386.879 4.104 20 0 GIADLO O=S(=O)(c1ccc(Cl)nc1Cl)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000177717847 823516273 /nfs/dbraw/zinc/51/62/73/823516273.db2.gz BBQOVVFZUQTFQA-UHFFFAOYSA-N 1 2 394.283 4.179 20 0 GIADLO Cc1ccc(-c2ocnc2C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000460817441 823520717 /nfs/dbraw/zinc/52/07/17/823520717.db2.gz NPVCCEZBKVMKBP-VMPITWQZSA-N 1 2 387.483 4.121 20 0 GIADLO CC(C)[C@H](SCc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000060374962 823521311 /nfs/dbraw/zinc/52/13/11/823521311.db2.gz YAGIEPIVIRMTDM-NRFANRHFSA-N 1 2 379.529 4.447 20 0 GIADLO CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000060374963 823521352 /nfs/dbraw/zinc/52/13/52/823521352.db2.gz YAGIEPIVIRMTDM-OAQYLSRUSA-N 1 2 379.529 4.447 20 0 GIADLO Cc1csc2c1ncnc2N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000189989854 823522604 /nfs/dbraw/zinc/52/26/04/823522604.db2.gz CHBZZAWCAKEFDR-UHFFFAOYSA-N 1 2 375.501 4.002 20 0 GIADLO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177767971 823523194 /nfs/dbraw/zinc/52/31/94/823523194.db2.gz YCDQICTYUVGCCK-GFCCVEGCSA-N 1 2 394.422 4.125 20 0 GIADLO CCCc1cccc(C(C)C)c1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000189996995 823523395 /nfs/dbraw/zinc/52/33/95/823523395.db2.gz BJVIRELFKJPJCR-UHFFFAOYSA-N 1 2 381.524 4.215 20 0 GIADLO O=C(CCc1nc2ccccc2s1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033541673 821057356 /nfs/dbraw/zinc/05/73/56/821057356.db2.gz QYZYYQFBBVNZJT-TWGQIWQCSA-N 1 2 391.540 4.087 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Cc1ccccc1C ZINC000060442603 823528359 /nfs/dbraw/zinc/52/83/59/823528359.db2.gz KHDAZXBXJXURRS-UHFFFAOYSA-N 1 2 391.515 4.252 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cccc(C)c1 ZINC000060442468 823528410 /nfs/dbraw/zinc/52/84/10/823528410.db2.gz KFPIFRPXQCRHSA-UHFFFAOYSA-N 1 2 377.488 4.323 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(F)cc1F ZINC000060442397 823528497 /nfs/dbraw/zinc/52/84/97/823528497.db2.gz IKTXYCJLLRTBDB-UHFFFAOYSA-N 1 2 399.441 4.293 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)/C=C/c2ccccc2)cc1 ZINC000060447388 823528773 /nfs/dbraw/zinc/52/87/73/823528773.db2.gz YGVNQCWODFODNV-SDNWHVSQSA-N 1 2 389.499 4.414 20 0 GIADLO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177781045 823525346 /nfs/dbraw/zinc/52/53/46/823525346.db2.gz HWCWMEYLEVDAIM-GHTZIAJQSA-N 1 2 375.472 4.009 20 0 GIADLO Cc1ccc(C[C@@H](C)N(C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000123620791 823526704 /nfs/dbraw/zinc/52/67/04/823526704.db2.gz PMJYYXOPDNJRCK-HXUWFJFHSA-N 1 2 390.531 4.055 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(C(F)(F)F)ccc1F ZINC000177834022 823533376 /nfs/dbraw/zinc/53/33/76/823533376.db2.gz YUPIMCXTWUHSOZ-UHFFFAOYSA-N 1 2 377.341 4.019 20 0 GIADLO COc1ccccc1-c1nc(C[NH+]2CCN(c3ccccc3C)CC2)cs1 ZINC000041106114 821170731 /nfs/dbraw/zinc/17/07/31/821170731.db2.gz ZNYMLGRDAUQLEZ-UHFFFAOYSA-N 1 2 379.529 4.449 20 0 GIADLO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460872957 823533778 /nfs/dbraw/zinc/53/37/78/823533778.db2.gz JVFJRFRTRWHNJM-AWEZNQCLSA-N 1 2 377.410 4.256 20 0 GIADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(OC(F)(F)F)c1 ZINC000177848089 823535785 /nfs/dbraw/zinc/53/57/85/823535785.db2.gz GVJXQHJAMLIPHT-JKIFEVAISA-N 1 2 396.413 4.135 20 0 GIADLO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc(=O)c2ccccc2o1 ZINC000041400477 821188961 /nfs/dbraw/zinc/18/89/61/821188961.db2.gz JGZAFZVGDPEVBS-GOSISDBHSA-N 1 2 396.874 4.013 20 0 GIADLO S=c1n(C[N@H+](C2CC2)C2CCCC2)nc(-c2ccncc2)n1Cc1ccco1 ZINC000042094259 821263966 /nfs/dbraw/zinc/26/39/66/821263966.db2.gz AKROBIIPKNFQKG-UHFFFAOYSA-N 1 2 395.532 4.482 20 0 GIADLO S=c1n(C[N@@H+](C2CC2)C2CCCC2)nc(-c2ccncc2)n1Cc1ccco1 ZINC000042094259 821263973 /nfs/dbraw/zinc/26/39/73/821263973.db2.gz AKROBIIPKNFQKG-UHFFFAOYSA-N 1 2 395.532 4.482 20 0 GIADLO Cc1ccc(Nc2nc(C[NH+]3CCC(C(=O)N(C)C(C)C)CC3)cs2)cc1 ZINC000042147672 821274763 /nfs/dbraw/zinc/27/47/63/821274763.db2.gz FPNCBOWVCZHUDJ-UHFFFAOYSA-N 1 2 386.565 4.274 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000042249646 821291751 /nfs/dbraw/zinc/29/17/51/821291751.db2.gz TZQLJNWWDUQCTI-QGZVFWFLSA-N 1 2 383.511 4.100 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000042287565 821295573 /nfs/dbraw/zinc/29/55/73/821295573.db2.gz IZOONHYZIHLSPI-AIADIJKESA-N 1 2 397.950 4.306 20 0 GIADLO O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000042567824 821311114 /nfs/dbraw/zinc/31/11/14/821311114.db2.gz ZXDNJBYVUOAYKM-HRNLXLLQSA-N 1 2 380.454 4.213 20 0 GIADLO FC(F)Sc1ccc(NC(=S)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000042625034 821315483 /nfs/dbraw/zinc/31/54/83/821315483.db2.gz OQZUPHDHXWFTEV-UHFFFAOYSA-N 1 2 394.516 4.483 20 0 GIADLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000042952654 821348434 /nfs/dbraw/zinc/34/84/34/821348434.db2.gz KVOBFZYRBOIGNU-NSHDSACASA-N 1 2 398.272 4.465 20 0 GIADLO O=C(Nc1ccc(SC(F)F)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043119647 821364161 /nfs/dbraw/zinc/36/41/61/821364161.db2.gz GBODKIWFLFPDLA-UHFFFAOYSA-N 1 2 383.489 4.413 20 0 GIADLO CC[C@H]([NH2+][C@H](C)c1nc(Cc2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000180647237 821381072 /nfs/dbraw/zinc/38/10/72/821381072.db2.gz KUFSTJAJBIWHBR-QAPCUYQASA-N 1 2 379.460 4.234 20 0 GIADLO CC(C)Cc1ccc([C@@H](NC(=O)NCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000043312306 821390402 /nfs/dbraw/zinc/39/04/02/821390402.db2.gz LVPOJIDGLDEFMI-HXUWFJFHSA-N 1 2 382.533 4.232 20 0 GIADLO CCOc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Br)o3)o2)c1 ZINC000180714657 821413587 /nfs/dbraw/zinc/41/35/87/821413587.db2.gz WLCFPLVYGBPHHW-LLVKDONJSA-N 1 2 392.253 4.342 20 0 GIADLO C[C@H]1c2ccsc2CCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043500352 821419442 /nfs/dbraw/zinc/41/94/42/821419442.db2.gz FKUQOFHTVDSMGD-ZDUSSCGKSA-N 1 2 376.551 4.342 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)c1C ZINC000180727645 821420400 /nfs/dbraw/zinc/42/04/00/821420400.db2.gz OVFRXNLMDARNMF-UHFFFAOYSA-N 1 2 397.454 4.004 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccc(F)cc3)n2)C1 ZINC000043547404 821424658 /nfs/dbraw/zinc/42/46/58/821424658.db2.gz XFNNAYQTFJFAJJ-CQSZACIVSA-N 1 2 376.501 4.178 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccc(F)cc3)n2)C1 ZINC000043547404 821424661 /nfs/dbraw/zinc/42/46/61/821424661.db2.gz XFNNAYQTFJFAJJ-CQSZACIVSA-N 1 2 376.501 4.178 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)cc1 ZINC000043643414 821435215 /nfs/dbraw/zinc/43/52/15/821435215.db2.gz PSTDBWZNTSCNMV-CYBMUJFWSA-N 1 2 378.394 4.367 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)cc1 ZINC000043643414 821435219 /nfs/dbraw/zinc/43/52/19/821435219.db2.gz PSTDBWZNTSCNMV-CYBMUJFWSA-N 1 2 378.394 4.367 20 0 GIADLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180753449 821435597 /nfs/dbraw/zinc/43/55/97/821435597.db2.gz ZTJXNZVUSAGZBN-FUHWJXTLSA-N 1 2 379.863 4.038 20 0 GIADLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180753449 821435601 /nfs/dbraw/zinc/43/56/01/821435601.db2.gz ZTJXNZVUSAGZBN-FUHWJXTLSA-N 1 2 379.863 4.038 20 0 GIADLO CC(=O)Nc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180775476 821449023 /nfs/dbraw/zinc/44/90/23/821449023.db2.gz OEPBKLQWXXGALM-LJQANCHMSA-N 1 2 378.394 4.237 20 0 GIADLO CC(=O)Nc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180775476 821449029 /nfs/dbraw/zinc/44/90/29/821449029.db2.gz OEPBKLQWXXGALM-LJQANCHMSA-N 1 2 378.394 4.237 20 0 GIADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000180790992 821459998 /nfs/dbraw/zinc/45/99/98/821459998.db2.gz KTDUDOXEDOJWEF-SBUREZEXSA-N 1 2 391.540 4.310 20 0 GIADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000180790992 821460005 /nfs/dbraw/zinc/46/00/05/821460005.db2.gz KTDUDOXEDOJWEF-SBUREZEXSA-N 1 2 391.540 4.310 20 0 GIADLO Cn1cc(C[N@H+](C)Cc2ccccc2OCc2ccccn2)c(C(F)(F)F)n1 ZINC000180791852 821460686 /nfs/dbraw/zinc/46/06/86/821460686.db2.gz CBNSSUUZIRVIHM-UHFFFAOYSA-N 1 2 390.409 4.045 20 0 GIADLO Cn1cc(C[N@@H+](C)Cc2ccccc2OCc2ccccn2)c(C(F)(F)F)n1 ZINC000180791852 821460692 /nfs/dbraw/zinc/46/06/92/821460692.db2.gz CBNSSUUZIRVIHM-UHFFFAOYSA-N 1 2 390.409 4.045 20 0 GIADLO Cn1cc(C[N@H+](C)Cc2ccccc2OCc2cccnc2)c(C(F)(F)F)n1 ZINC000180792707 821461575 /nfs/dbraw/zinc/46/15/75/821461575.db2.gz PBABGZQSCWHULT-UHFFFAOYSA-N 1 2 390.409 4.045 20 0 GIADLO Cn1cc(C[N@@H+](C)Cc2ccccc2OCc2cccnc2)c(C(F)(F)F)n1 ZINC000180792707 821461580 /nfs/dbraw/zinc/46/15/80/821461580.db2.gz PBABGZQSCWHULT-UHFFFAOYSA-N 1 2 390.409 4.045 20 0 GIADLO Cc1noc([C@@H](C)Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)n1 ZINC000043835150 821468293 /nfs/dbraw/zinc/46/82/93/821468293.db2.gz RLQORARCDFQNNC-GHMZBOCLSA-N 1 2 392.916 4.088 20 0 GIADLO CCOc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(-n4cccn4)cc3)n2)cc1 ZINC000180819633 821479426 /nfs/dbraw/zinc/47/94/26/821479426.db2.gz XEVMJJKPSUMTMD-INIZCTEOSA-N 1 2 389.459 4.172 20 0 GIADLO O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCCn1cc[nH+]c1 ZINC000043947031 821493266 /nfs/dbraw/zinc/49/32/66/821493266.db2.gz ZEFCYKZKAALUKJ-FQEVSTJZSA-N 1 2 385.920 4.176 20 0 GIADLO S=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccc2ccccc2c1 ZINC000044057886 821513890 /nfs/dbraw/zinc/51/38/90/821513890.db2.gz WBBSJJXTEOFKFU-UHFFFAOYSA-N 1 2 391.540 4.159 20 0 GIADLO CCOc1ccc([C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c2ccccc2Cl)cc1 ZINC000180893764 821519923 /nfs/dbraw/zinc/51/99/23/821519923.db2.gz KJDHHACQQQEXIF-MGPUTAFESA-N 1 2 395.952 4.241 20 0 GIADLO CS(=O)(=O)CC1(C[NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000180928563 821543483 /nfs/dbraw/zinc/54/34/83/821543483.db2.gz AWEZTNPCDUDZOX-SFHVURJKSA-N 1 2 399.890 4.122 20 0 GIADLO N#C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181040327 821607202 /nfs/dbraw/zinc/60/72/02/821607202.db2.gz VEWHYACAKTYUGM-KRWDZBQOSA-N 1 2 399.237 4.140 20 0 GIADLO Cc1noc2nc(C)cc(C(=O)Nc3ccc(-c4[nH+]cc5n4CCCC5)cc3)c12 ZINC000044567987 821610461 /nfs/dbraw/zinc/61/04/61/821610461.db2.gz WGQPTGLXZPEVQI-UHFFFAOYSA-N 1 2 387.443 4.292 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2COC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181094536 821629990 /nfs/dbraw/zinc/62/99/90/821629990.db2.gz CIVXTAQVVNILJE-UXHICEINSA-N 1 2 390.886 4.191 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2COC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181094536 821629999 /nfs/dbraw/zinc/62/99/99/821629999.db2.gz CIVXTAQVVNILJE-UXHICEINSA-N 1 2 390.886 4.191 20 0 GIADLO COc1ccccc1-c1nnc(C[NH2+][C@@H](C)c2ccc(Br)cc2)o1 ZINC000181122881 821646905 /nfs/dbraw/zinc/64/69/05/821646905.db2.gz NVCYMGYNQANDFQ-LBPRGKRZSA-N 1 2 388.265 4.359 20 0 GIADLO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2csc(NC(C)=O)n2)cc1 ZINC000181135985 821655982 /nfs/dbraw/zinc/65/59/82/821655982.db2.gz UFNNWJFZGLWNDC-FQEVSTJZSA-N 1 2 399.491 4.323 20 0 GIADLO CC[N@H+](Cc1nc2ccccc2n1C(F)F)Cc1ccc(OC)c(OC)c1 ZINC000045003230 821688397 /nfs/dbraw/zinc/68/83/97/821688397.db2.gz FERRSLVYGSTKGM-UHFFFAOYSA-N 1 2 375.419 4.471 20 0 GIADLO CC[N@@H+](Cc1nc2ccccc2n1C(F)F)Cc1ccc(OC)c(OC)c1 ZINC000045003230 821688405 /nfs/dbraw/zinc/68/84/05/821688405.db2.gz FERRSLVYGSTKGM-UHFFFAOYSA-N 1 2 375.419 4.471 20 0 GIADLO c1ccc(CCc2noc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181235801 821711838 /nfs/dbraw/zinc/71/18/38/821711838.db2.gz GKUROIHZACSAPJ-TZIWHRDSSA-N 1 2 377.488 4.112 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(F)c(Cl)c1F ZINC000181246418 821717175 /nfs/dbraw/zinc/71/71/75/821717175.db2.gz BJOMAIMTMSBWHF-UHFFFAOYSA-N 1 2 393.865 4.392 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)n2)cc1 ZINC000181271959 821726935 /nfs/dbraw/zinc/72/69/35/821726935.db2.gz IRDRTOZZWCEAQY-HNNXBMFYSA-N 1 2 392.459 4.106 20 0 GIADLO CCO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cs1 ZINC000181283983 821734430 /nfs/dbraw/zinc/73/44/30/821734430.db2.gz YAGPCZSEZOGGER-UONOGXRCSA-N 1 2 375.494 4.048 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181291217 821738757 /nfs/dbraw/zinc/73/87/57/821738757.db2.gz ZPTMSCXVDXBYSW-CYBMUJFWSA-N 1 2 398.850 4.197 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@@H]2CCCOc3c(F)cccc32)nnn1-c1ccc(F)cc1 ZINC000181323561 821758788 /nfs/dbraw/zinc/75/87/88/821758788.db2.gz MUDKNEVYZRSQIU-ORAYPTAESA-N 1 2 384.430 4.418 20 0 GIADLO Cc1c([C@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)nnn1-c1ccc(F)cc1 ZINC000181345827 821775786 /nfs/dbraw/zinc/77/57/86/821775786.db2.gz XAVYPKZRMHSTLY-AWEZNQCLSA-N 1 2 383.471 4.138 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1nc(Cc2ccccc2)no1 ZINC000181389180 821801035 /nfs/dbraw/zinc/80/10/35/821801035.db2.gz LETALDYMBNWMCI-DLBZAZTESA-N 1 2 390.487 4.199 20 0 GIADLO CC[C@@H]([NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1ccc(C)cc1 ZINC000181700186 821949081 /nfs/dbraw/zinc/94/90/81/821949081.db2.gz KNVJKRBRTNCHIA-MRXNPFEDSA-N 1 2 388.512 4.379 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)o1 ZINC000181861815 822019566 /nfs/dbraw/zinc/01/95/66/822019566.db2.gz QTTAGIDJDNOFJR-SFHVURJKSA-N 1 2 376.504 4.420 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(COc2ccc(F)cc2)no1)c1cccc(N2CCCC2)c1 ZINC000181888886 822027381 /nfs/dbraw/zinc/02/73/81/822027381.db2.gz RWEDADSLSITSQX-MRXNPFEDSA-N 1 2 396.466 4.239 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)NCCCCOC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181903406 822032402 /nfs/dbraw/zinc/03/24/02/822032402.db2.gz XBZZEGQYFZCAJK-MOPGFXCFSA-N 1 2 399.938 4.119 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)NCCCCOC(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181903406 822032409 /nfs/dbraw/zinc/03/24/09/822032409.db2.gz XBZZEGQYFZCAJK-MOPGFXCFSA-N 1 2 399.938 4.119 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(OC(F)(F)F)c3)n2)cc1 ZINC000181906872 822033273 /nfs/dbraw/zinc/03/32/73/822033273.db2.gz UOQSBCVPQKZRQJ-LBPRGKRZSA-N 1 2 393.365 4.495 20 0 GIADLO Cc1ccccc1-c1nc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)no1 ZINC000181987077 822054152 /nfs/dbraw/zinc/05/41/52/822054152.db2.gz NXOKUSJOZMMLNR-NRFANRHFSA-N 1 2 379.460 4.303 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1F ZINC000181997328 822057430 /nfs/dbraw/zinc/05/74/30/822057430.db2.gz YRAKDQURAXSLFI-VIFPVBQESA-N 1 2 381.329 4.152 20 0 GIADLO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000182014112 822062722 /nfs/dbraw/zinc/06/27/22/822062722.db2.gz RCCAMKUPXMGDOX-GJZGRUSLSA-N 1 2 385.439 4.346 20 0 GIADLO c1sc(C2CCCCC2)nc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000182163955 822125850 /nfs/dbraw/zinc/12/58/50/822125850.db2.gz ZMQPKVIBHVWFSN-OAQYLSRUSA-N 1 2 385.577 4.354 20 0 GIADLO COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)c1ccccn1 ZINC000182172013 822130237 /nfs/dbraw/zinc/13/02/37/822130237.db2.gz MLVGNOYOPAUXBF-HJPURHCSSA-N 1 2 375.472 4.489 20 0 GIADLO Cc1cc(C)cc([C@H]2CCN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)C2)c1 ZINC000182281148 822185379 /nfs/dbraw/zinc/18/53/79/822185379.db2.gz AVNZYEPXEWHXJD-QFIPXVFZSA-N 1 2 388.515 4.247 20 0 GIADLO O=C(NC[C@@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)C1)c1ccccc1 ZINC000182401205 822230620 /nfs/dbraw/zinc/23/06/20/822230620.db2.gz AHZDPHVJUFUFQS-AWEZNQCLSA-N 1 2 378.303 4.030 20 0 GIADLO O=C(NC[C@@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)C1)c1ccccc1 ZINC000182401205 822230630 /nfs/dbraw/zinc/23/06/30/822230630.db2.gz AHZDPHVJUFUFQS-AWEZNQCLSA-N 1 2 378.303 4.030 20 0 GIADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000182492866 822265216 /nfs/dbraw/zinc/26/52/16/822265216.db2.gz NLEPWNYZQOZCSG-QGZVFWFLSA-N 1 2 387.549 4.100 20 0 GIADLO CC1CCN(c2ccc(NC(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)cc2)CC1 ZINC000178011913 822282167 /nfs/dbraw/zinc/28/21/67/822282167.db2.gz AYKSYOMVXHACDJ-LJQANCHMSA-N 1 2 395.551 4.143 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182566716 822305820 /nfs/dbraw/zinc/30/58/20/822305820.db2.gz IVVFXYPDDDPDOQ-HNNXBMFYSA-N 1 2 388.427 4.433 20 0 GIADLO CC(=O)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000182590357 822314049 /nfs/dbraw/zinc/31/40/49/822314049.db2.gz BWBMJJOOEUDAFI-IBGZPJMESA-N 1 2 379.378 4.204 20 0 GIADLO CC(=O)Oc1ccc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000182590357 822314060 /nfs/dbraw/zinc/31/40/60/822314060.db2.gz BWBMJJOOEUDAFI-IBGZPJMESA-N 1 2 379.378 4.204 20 0 GIADLO COCc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)o1 ZINC000182605870 822319756 /nfs/dbraw/zinc/31/97/56/822319756.db2.gz GCNUYACKVMRSEN-UHFFFAOYSA-N 1 2 397.302 4.127 20 0 GIADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3nnnn3-c3c(C)cccc3C)oc21 ZINC000182662546 822343263 /nfs/dbraw/zinc/34/32/63/822343263.db2.gz IBYAXMQHIVBUGG-INIZCTEOSA-N 1 2 391.475 4.275 20 0 GIADLO COc1cccc([C@H]([NH2+][C@H](C)c2cn(C)nc2C)c2cc(F)ccc2OC)c1 ZINC000178225197 822356005 /nfs/dbraw/zinc/35/60/05/822356005.db2.gz SLJFSDQUSSBDKS-PEBXRYMYSA-N 1 2 383.467 4.325 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NCc2ccccc2)cc1 ZINC000045031697 822358396 /nfs/dbraw/zinc/35/83/96/822358396.db2.gz KJVRCEHHOXUTDH-UHFFFAOYSA-N 1 2 392.503 4.084 20 0 GIADLO Cc1cc(NC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)no1 ZINC000045097302 822362315 /nfs/dbraw/zinc/36/23/15/822362315.db2.gz QYJKAXSEHMYXRD-UHFFFAOYSA-N 1 2 391.834 4.096 20 0 GIADLO CC[C@@H](C)[N@H+](Cc1nc2cc(S(=O)(=O)CC)ccc2o1)Cc1ccccc1 ZINC000178280195 822362721 /nfs/dbraw/zinc/36/27/21/822362721.db2.gz QFRQZFUACLMDQH-MRXNPFEDSA-N 1 2 386.517 4.422 20 0 GIADLO CC[C@@H](C)[N@@H+](Cc1nc2cc(S(=O)(=O)CC)ccc2o1)Cc1ccccc1 ZINC000178280195 822362726 /nfs/dbraw/zinc/36/27/26/822362726.db2.gz QFRQZFUACLMDQH-MRXNPFEDSA-N 1 2 386.517 4.422 20 0 GIADLO CSc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000178331893 822368105 /nfs/dbraw/zinc/36/81/05/822368105.db2.gz CWMQHGPFUWPHJM-LEWJYISDSA-N 1 2 392.528 4.333 20 0 GIADLO O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178344745 822369371 /nfs/dbraw/zinc/36/93/71/822369371.db2.gz JHVBTFKGCXKVAH-YSFYHYPLSA-N 1 2 390.462 4.106 20 0 GIADLO COc1cc([C@@H](C)Nc2ccc([NH+](C)C)c(C)c2)ccc1S(=O)(=O)C(F)F ZINC000182849748 822378440 /nfs/dbraw/zinc/37/84/40/822378440.db2.gz KWCNPUCXHTUUFF-CYBMUJFWSA-N 1 2 398.475 4.239 20 0 GIADLO COc1cc([C@H](C)Nc2ccc([NH+](C)C)c(C)c2)ccc1S(=O)(=O)C(F)F ZINC000182849726 822378487 /nfs/dbraw/zinc/37/84/87/822378487.db2.gz KWCNPUCXHTUUFF-ZDUSSCGKSA-N 1 2 398.475 4.239 20 0 GIADLO Cc1cc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1F ZINC000045346243 822380273 /nfs/dbraw/zinc/38/02/73/822380273.db2.gz SGMUJIFHSMBLAU-IAGOWNOFSA-N 1 2 385.483 4.065 20 0 GIADLO COc1ccc(-c2nc(C[N@H+](C)[C@@H]3CCCc4c3cnn4C)cs2)cc1OC ZINC000178491306 822384885 /nfs/dbraw/zinc/38/48/85/822384885.db2.gz ANRNYTCLXBHMTO-QGZVFWFLSA-N 1 2 398.532 4.070 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+](C)[C@@H]3CCCc4c3cnn4C)cs2)cc1OC ZINC000178491306 822384888 /nfs/dbraw/zinc/38/48/88/822384888.db2.gz ANRNYTCLXBHMTO-QGZVFWFLSA-N 1 2 398.532 4.070 20 0 GIADLO Cc1cc(Br)c(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)s1 ZINC000453573485 822386367 /nfs/dbraw/zinc/38/63/67/822386367.db2.gz PPUCFQRZRYHDST-LBPRGKRZSA-N 1 2 377.311 4.251 20 0 GIADLO CCOc1ccc([C@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000045491386 822390490 /nfs/dbraw/zinc/39/04/90/822390490.db2.gz QOYFDBIJSNAAQF-OAQYLSRUSA-N 1 2 394.519 4.127 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000045531404 822393936 /nfs/dbraw/zinc/39/39/36/822393936.db2.gz YTMDDELXRWFWRD-NRFANRHFSA-N 1 2 392.478 4.160 20 0 GIADLO CN(Cc1cccc2ccccc21)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532021 822393977 /nfs/dbraw/zinc/39/39/77/822393977.db2.gz LJKDXUMQWBFCNY-UHFFFAOYSA-N 1 2 398.510 4.469 20 0 GIADLO CCN(Cc1ccccc1Cl)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532832 822394310 /nfs/dbraw/zinc/39/43/10/822394310.db2.gz NJIASJABKCKCTG-UHFFFAOYSA-N 1 2 396.922 4.359 20 0 GIADLO CN(Cc1ccc2ccccc2c1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045606216 822399692 /nfs/dbraw/zinc/39/96/92/822399692.db2.gz QHVKFSUSPURORF-UHFFFAOYSA-N 1 2 384.483 4.426 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(Cc3nc(C(F)(F)F)cs3)CC2)c1 ZINC000178660095 822400433 /nfs/dbraw/zinc/40/04/33/822400433.db2.gz LOGYEUNDXPYUIK-CYBMUJFWSA-N 1 2 385.455 4.049 20 0 GIADLO Cc1cc([C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)c2ccccc2Cl)ccc1F ZINC000183027404 822413975 /nfs/dbraw/zinc/41/39/75/822413975.db2.gz CHSVYLJUHJKSHK-DNVCBOLYSA-N 1 2 381.900 4.044 20 0 GIADLO O=C(NCC1(c2ccc(F)cc2)CCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045794234 822414306 /nfs/dbraw/zinc/41/43/06/822414306.db2.gz ZZOWMOXPKIQPSV-UHFFFAOYSA-N 1 2 377.463 4.312 20 0 GIADLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000183042692 822416510 /nfs/dbraw/zinc/41/65/10/822416510.db2.gz RIYZZKWVNLTRBN-KBPBESRZSA-N 1 2 398.438 4.019 20 0 GIADLO CCOc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc(OCC)c1OCC ZINC000045859895 822419409 /nfs/dbraw/zinc/41/94/09/822419409.db2.gz NTZCSGYKOQHLNG-UHFFFAOYSA-N 1 2 395.459 4.321 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@H](C[S@@](C)=O)c3ccccc3)cs2)cc1 ZINC000183068593 822419974 /nfs/dbraw/zinc/41/99/74/822419974.db2.gz GSQDIPIVIHHFEF-NIYFSFCBSA-N 1 2 386.542 4.028 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1C ZINC000178909096 822420867 /nfs/dbraw/zinc/42/08/67/822420867.db2.gz XIPBLYSTSTWWAI-ICSRJNTNSA-N 1 2 397.519 4.016 20 0 GIADLO CC[C@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)c1c(C)noc1C ZINC000178929225 822422338 /nfs/dbraw/zinc/42/23/38/822422338.db2.gz WNIVTYXVSPWLHA-SFHVURJKSA-N 1 2 392.503 4.099 20 0 GIADLO CC[C@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)c1c(C)noc1C ZINC000178929225 822422340 /nfs/dbraw/zinc/42/23/40/822422340.db2.gz WNIVTYXVSPWLHA-SFHVURJKSA-N 1 2 392.503 4.099 20 0 GIADLO O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2cccc3[nH+]ccn32)s1 ZINC000178944491 822423698 /nfs/dbraw/zinc/42/36/98/822423698.db2.gz VOMRIOUKQXQKLR-KAMYIIQDSA-N 1 2 381.848 4.175 20 0 GIADLO O=C(Nc1ccc(SC(F)F)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045947651 822426188 /nfs/dbraw/zinc/42/61/88/822426188.db2.gz OPJOZUWNHFPHTB-UHFFFAOYSA-N 1 2 378.448 4.187 20 0 GIADLO c1ccc(OCCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1 ZINC000045965389 822427788 /nfs/dbraw/zinc/42/77/88/822427788.db2.gz PAMYQHLEWGFVMZ-UHFFFAOYSA-N 1 2 380.517 4.034 20 0 GIADLO Fc1cccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c1 ZINC000045965327 822427866 /nfs/dbraw/zinc/42/78/66/822427866.db2.gz HDIAURLIPSPMNP-UHFFFAOYSA-N 1 2 382.508 4.354 20 0 GIADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]Cc1cccc(N(C)C)n1 ZINC000179030895 822431601 /nfs/dbraw/zinc/43/16/01/822431601.db2.gz LSEBCYSZSXQOMI-UHFFFAOYSA-N 1 2 390.318 4.238 20 0 GIADLO O=C(c1nc2cc(Cl)ccc2s1)N1CC[NH+](CCc2cccs2)CC1 ZINC000454157133 822433875 /nfs/dbraw/zinc/43/38/75/822433875.db2.gz SGQYDIRMDLVLDX-UHFFFAOYSA-N 1 2 391.949 4.012 20 0 GIADLO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000454226889 822440832 /nfs/dbraw/zinc/44/08/32/822440832.db2.gz LNGGNTAEZKKOMD-FQEVSTJZSA-N 1 2 382.483 4.176 20 0 GIADLO COc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1OC1CCCC1 ZINC000046105881 822441393 /nfs/dbraw/zinc/44/13/93/822441393.db2.gz AMPKPVNRNAFBLF-UHFFFAOYSA-N 1 2 377.444 4.455 20 0 GIADLO CCCCOc1ccc([C@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1OC ZINC000454282642 822450547 /nfs/dbraw/zinc/45/05/47/822450547.db2.gz SIAQYVUFSPCGEF-KRWDZBQOSA-N 1 2 385.508 4.446 20 0 GIADLO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3ncc(Br)s3)C2=O)cc1 ZINC000179234591 822455078 /nfs/dbraw/zinc/45/50/78/822455078.db2.gz WSMCMGVIQNFVMH-TZMCWYRMSA-N 1 2 394.338 4.060 20 0 GIADLO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ncc(Br)s3)C2=O)cc1 ZINC000179234579 822455172 /nfs/dbraw/zinc/45/51/72/822455172.db2.gz WSMCMGVIQNFVMH-GXTWGEPZSA-N 1 2 394.338 4.060 20 0 GIADLO C[C@@H](c1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1)C(F)(F)F ZINC000454322066 822457705 /nfs/dbraw/zinc/45/77/05/822457705.db2.gz JMEXKEBFJKQWCZ-HNNXBMFYSA-N 1 2 392.421 4.437 20 0 GIADLO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000454326359 822458293 /nfs/dbraw/zinc/45/82/93/822458293.db2.gz GJTRHTZXZKFHLU-HXUWFJFHSA-N 1 2 382.483 4.045 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccccc2OC(F)F)C[C@@H](C)O1 ZINC000046340913 822462997 /nfs/dbraw/zinc/46/29/97/822462997.db2.gz DNICCIDHCDOTGL-HUUCEWRRSA-N 1 2 390.430 4.150 20 0 GIADLO Cc1cc2ccccc2n1CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046344475 822464119 /nfs/dbraw/zinc/46/41/19/822464119.db2.gz ILFZZXVNVZDCFI-KDURUIRLSA-N 1 2 391.515 4.198 20 0 GIADLO Cc1cc2ccccc2n1CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046344475 822464120 /nfs/dbraw/zinc/46/41/20/822464120.db2.gz ILFZZXVNVZDCFI-KDURUIRLSA-N 1 2 391.515 4.198 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c[nH+]1 ZINC000454379704 822465631 /nfs/dbraw/zinc/46/56/31/822465631.db2.gz NZMBPWOCWZQMMZ-AWEZNQCLSA-N 1 2 381.398 4.200 20 0 GIADLO Cc1nn(C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000183379892 822466164 /nfs/dbraw/zinc/46/61/64/822466164.db2.gz AFPQQLITWPXSHQ-UHFFFAOYSA-N 1 2 399.278 4.045 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c[nH+]1 ZINC000454409013 822470913 /nfs/dbraw/zinc/47/09/13/822470913.db2.gz NVBQERSBHDBVSU-HZPDHXFCSA-N 1 2 394.519 4.138 20 0 GIADLO Cc1cc(C)c(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)c(C)[nH+]1 ZINC000179384242 822474577 /nfs/dbraw/zinc/47/45/77/822474577.db2.gz OGVQIQVTCZIEEY-UHFFFAOYSA-N 1 2 385.265 4.207 20 0 GIADLO CSCCCCCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000183440702 822475312 /nfs/dbraw/zinc/47/53/12/822475312.db2.gz OUJRDVSEERFKSZ-ROUUACIJSA-N 1 2 393.597 4.341 20 0 GIADLO CC(C)N(C)c1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000046468380 822475877 /nfs/dbraw/zinc/47/58/77/822475877.db2.gz FTWYEPRMHSQVLU-SFHVURJKSA-N 1 2 375.492 4.103 20 0 GIADLO CCOCCOc1ccc(Br)cc1C[N@H+](C)Cc1scnc1C ZINC000179428907 822481397 /nfs/dbraw/zinc/48/13/97/822481397.db2.gz FNRFUKXOXJHFGF-UHFFFAOYSA-N 1 2 399.354 4.261 20 0 GIADLO CCOCCOc1ccc(Br)cc1C[N@@H+](C)Cc1scnc1C ZINC000179428907 822481402 /nfs/dbraw/zinc/48/14/02/822481402.db2.gz FNRFUKXOXJHFGF-UHFFFAOYSA-N 1 2 399.354 4.261 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@@H+]3CC[C@@H](c4cc(C)cc(C)c4)C3)nc2c1 ZINC000183489314 822484379 /nfs/dbraw/zinc/48/43/79/822484379.db2.gz PUCGQHVJUWEQRU-QGZVFWFLSA-N 1 2 398.528 4.228 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@H+]3CC[C@@H](c4cc(C)cc(C)c4)C3)nc2c1 ZINC000183489314 822484381 /nfs/dbraw/zinc/48/43/81/822484381.db2.gz PUCGQHVJUWEQRU-QGZVFWFLSA-N 1 2 398.528 4.228 20 0 GIADLO COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccccn1 ZINC000179483678 822489273 /nfs/dbraw/zinc/48/92/73/822489273.db2.gz RCKQJYPPKGNHGC-GUDGPEQWSA-N 1 2 380.513 4.268 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC(C3CCCCC3)C2)C[C@@H](C)O1 ZINC000454521411 822490607 /nfs/dbraw/zinc/49/06/07/822490607.db2.gz YNZNJJYQWBKHLL-QZTJIDSGSA-N 1 2 385.552 4.340 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)C[C@H](C)O1 ZINC000454523317 822490945 /nfs/dbraw/zinc/49/09/45/822490945.db2.gz ZUCOGEFPZXKBNI-FKPGQJDZSA-N 1 2 385.552 4.338 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)C[C@H](C)O1 ZINC000454523317 822490950 /nfs/dbraw/zinc/49/09/50/822490950.db2.gz ZUCOGEFPZXKBNI-FKPGQJDZSA-N 1 2 385.552 4.338 20 0 GIADLO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179508917 822493214 /nfs/dbraw/zinc/49/32/14/822493214.db2.gz CKRZUCJZUHHQES-OCCSQVGLSA-N 1 2 386.450 4.368 20 0 GIADLO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179508917 822493216 /nfs/dbraw/zinc/49/32/16/822493216.db2.gz CKRZUCJZUHHQES-OCCSQVGLSA-N 1 2 386.450 4.368 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2F)o1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617577 822493540 /nfs/dbraw/zinc/49/35/40/822493540.db2.gz MJIAINKTLVUYFH-UHFFFAOYSA-N 1 2 393.462 4.199 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000046620086 822494046 /nfs/dbraw/zinc/49/40/46/822494046.db2.gz PYZVGZTXVHJBSH-UHFFFAOYSA-N 1 2 393.531 4.028 20 0 GIADLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000179525119 822496908 /nfs/dbraw/zinc/49/69/08/822496908.db2.gz SXRLFTIBJLMDPX-NTCAYCPXSA-N 1 2 398.459 4.237 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)s1 ZINC000183583808 822497593 /nfs/dbraw/zinc/49/75/93/822497593.db2.gz GSEWLXYCORGKRE-UHFFFAOYSA-N 1 2 389.487 4.131 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000179545241 822500691 /nfs/dbraw/zinc/50/06/91/822500691.db2.gz WWWYWCNPTPLEDT-IRXDYDNUSA-N 1 2 383.801 4.324 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000179545241 822500692 /nfs/dbraw/zinc/50/06/92/822500692.db2.gz WWWYWCNPTPLEDT-IRXDYDNUSA-N 1 2 383.801 4.324 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2OC(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000179550846 822501851 /nfs/dbraw/zinc/50/18/51/822501851.db2.gz JMVRTAFLGIUVQY-RDJZCZTQSA-N 1 2 397.372 4.133 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2OC(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000179550846 822501853 /nfs/dbraw/zinc/50/18/53/822501853.db2.gz JMVRTAFLGIUVQY-RDJZCZTQSA-N 1 2 397.372 4.133 20 0 GIADLO Cc1cc2ncc([C@@H](C)[NH2+][C@@H](c3cccc(F)c3)c3ccccn3)c(C)n2n1 ZINC000179553523 822502369 /nfs/dbraw/zinc/50/23/69/822502369.db2.gz HJDQIDFURKPBBN-QRQCRPRQSA-N 1 2 375.451 4.320 20 0 GIADLO O=C1CCCN1C[C@H]([NH2+]Cc1csc(-c2ccccc2F)n1)c1ccccc1 ZINC000179565312 822504522 /nfs/dbraw/zinc/50/45/22/822504522.db2.gz VZQJRRMYNUOMAM-FQEVSTJZSA-N 1 2 395.503 4.403 20 0 GIADLO CCOCCOc1c(Cl)cccc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454619721 822507568 /nfs/dbraw/zinc/50/75/68/822507568.db2.gz MQBDDCWVIOCSIR-UHFFFAOYSA-N 1 2 377.872 4.089 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)CC1 ZINC000183705709 822514434 /nfs/dbraw/zinc/51/44/34/822514434.db2.gz CDRKDQDJRPNQPQ-LBPRGKRZSA-N 1 2 399.438 4.399 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)c(C)c1 ZINC000046780312 822516591 /nfs/dbraw/zinc/51/65/91/822516591.db2.gz OTKGYTCQNBLZLO-UHFFFAOYSA-N 1 2 378.516 4.454 20 0 GIADLO Cc1cccc(Cc2cnc(NC(=O)C[N@@H+](C)[C@@H](C)c3ccncc3)s2)c1 ZINC000179664365 822523061 /nfs/dbraw/zinc/52/30/61/822523061.db2.gz YTGVTQBMCCVYHF-INIZCTEOSA-N 1 2 380.517 4.069 20 0 GIADLO Cc1cccc(Cc2cnc(NC(=O)C[N@H+](C)[C@@H](C)c3ccncc3)s2)c1 ZINC000179664365 822523063 /nfs/dbraw/zinc/52/30/63/822523063.db2.gz YTGVTQBMCCVYHF-INIZCTEOSA-N 1 2 380.517 4.069 20 0 GIADLO NC(=O)c1ccc(-c2nc(C[NH2+]C3(c4cccc(Cl)c4)CC3)cs2)cc1 ZINC000179679987 822525809 /nfs/dbraw/zinc/52/58/09/822525809.db2.gz CNGQMZJWRZNPIM-UHFFFAOYSA-N 1 2 383.904 4.341 20 0 GIADLO CC[C@H](CNc1ccccc1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000454743414 822526676 /nfs/dbraw/zinc/52/66/76/822526676.db2.gz PRLWZQWPQHPUMW-AZUAARDMSA-N 1 2 396.535 4.092 20 0 GIADLO COc1c(C)cnc(C[N@H+](C)Cc2ccccc2OCc2ccccn2)c1C ZINC000183780403 822527553 /nfs/dbraw/zinc/52/75/53/822527553.db2.gz HUVHTGVOEOXEAR-UHFFFAOYSA-N 1 2 377.488 4.313 20 0 GIADLO COc1c(C)cnc(C[N@@H+](C)Cc2ccccc2OCc2ccccn2)c1C ZINC000183780403 822527555 /nfs/dbraw/zinc/52/75/55/822527555.db2.gz HUVHTGVOEOXEAR-UHFFFAOYSA-N 1 2 377.488 4.313 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc(OCc2ccccn2)c1 ZINC000179695769 822529337 /nfs/dbraw/zinc/52/93/37/822529337.db2.gz HGFKQTZSRQTKCI-HNNXBMFYSA-N 1 2 376.416 4.154 20 0 GIADLO CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046921478 822531219 /nfs/dbraw/zinc/53/12/19/822531219.db2.gz VYYPGCKXRIHHNJ-UHFFFAOYSA-N 1 2 382.895 4.317 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454775861 822531678 /nfs/dbraw/zinc/53/16/78/822531678.db2.gz ZQLMDNYZTWMZTJ-HXUWFJFHSA-N 1 2 392.459 4.314 20 0 GIADLO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2ccc(OCc3ccccc3)c(OC)c2)n1 ZINC000179709082 822532466 /nfs/dbraw/zinc/53/24/66/822532466.db2.gz PHWWPAULTPUUCW-MRXNPFEDSA-N 1 2 393.487 4.183 20 0 GIADLO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000183829195 822533381 /nfs/dbraw/zinc/53/33/81/822533381.db2.gz BLFJBPLDMUMUMA-MWTRTKDXSA-N 1 2 394.446 4.213 20 0 GIADLO OCCC[C@@H]([NH2+]Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccccc1 ZINC000179734832 822538302 /nfs/dbraw/zinc/53/83/02/822538302.db2.gz VIRAZJFQCHIJKX-QGZVFWFLSA-N 1 2 391.393 4.359 20 0 GIADLO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000179739900 822539856 /nfs/dbraw/zinc/53/98/56/822539856.db2.gz OJPYJECEWPSDDT-FUHWJXTLSA-N 1 2 391.309 4.115 20 0 GIADLO C[N@H+](Cc1nc2ccccc2s1)[C@H](CO)c1cccc(Br)c1 ZINC000179741162 822540303 /nfs/dbraw/zinc/54/03/03/822540303.db2.gz XXSSVJYEORKGSD-OAHLLOKOSA-N 1 2 377.307 4.224 20 0 GIADLO C[N@@H+](Cc1nc2ccccc2s1)[C@H](CO)c1cccc(Br)c1 ZINC000179741162 822540305 /nfs/dbraw/zinc/54/03/05/822540305.db2.gz XXSSVJYEORKGSD-OAHLLOKOSA-N 1 2 377.307 4.224 20 0 GIADLO O=C(NCC1CCC1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000047053645 822540761 /nfs/dbraw/zinc/54/07/61/822540761.db2.gz AOYOHCLBZXBRID-UHFFFAOYSA-N 1 2 378.879 4.078 20 0 GIADLO OC[C@@H]([NH2+]Cc1csc(C2CCCC2)n1)c1cccc(Br)c1 ZINC000183887652 822541035 /nfs/dbraw/zinc/54/10/35/822541035.db2.gz AJHZIQYBXASIEO-MRXNPFEDSA-N 1 2 381.339 4.386 20 0 GIADLO CCn1c(C[NH+]2CCC(OCc3ccccc3OC)CC2)nc2c1cccc2F ZINC000179750607 822542652 /nfs/dbraw/zinc/54/26/52/822542652.db2.gz NCGICFWPUQITBE-UHFFFAOYSA-N 1 2 397.494 4.385 20 0 GIADLO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454845051 822544742 /nfs/dbraw/zinc/54/47/42/822544742.db2.gz VJNKOBRUIZIWTE-CYBMUJFWSA-N 1 2 392.297 4.030 20 0 GIADLO COc1c(C)cc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000179771981 822549558 /nfs/dbraw/zinc/54/95/58/822549558.db2.gz QNFRYPRFLMRFKS-QZTJIDSGSA-N 1 2 382.504 4.174 20 0 GIADLO Cc1cnc(C(C)(C)[NH2+]Cc2cc3c(cc2Br)OCCCO3)s1 ZINC000183975604 822556831 /nfs/dbraw/zinc/55/68/31/822556831.db2.gz CAVIIRYDQVDAFO-UHFFFAOYSA-N 1 2 397.338 4.400 20 0 GIADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(N3CCCCCC3)cc2)on1 ZINC000047273598 822560791 /nfs/dbraw/zinc/56/07/91/822560791.db2.gz MTSZGZPGGQDBET-FQEVSTJZSA-N 1 2 382.508 4.139 20 0 GIADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCCCCC3)cc2)on1 ZINC000047273598 822560792 /nfs/dbraw/zinc/56/07/92/822560792.db2.gz MTSZGZPGGQDBET-FQEVSTJZSA-N 1 2 382.508 4.139 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000179834412 822562603 /nfs/dbraw/zinc/56/26/03/822562603.db2.gz DCQWGGLAXQMJRI-UHFFFAOYSA-N 1 2 381.379 4.009 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@H](C1CCCC1)C(F)(F)F ZINC000184009493 822563100 /nfs/dbraw/zinc/56/31/00/822563100.db2.gz CFIPSDNSYGOZFE-QGZVFWFLSA-N 1 2 396.413 4.205 20 0 GIADLO C[N@H+](Cc1cccc(Cl)c1O)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000179847510 822565606 /nfs/dbraw/zinc/56/56/06/822565606.db2.gz VBYWGMPZQAHNLK-XYPWUTKMSA-N 1 2 380.916 4.408 20 0 GIADLO C[N@@H+](Cc1cccc(Cl)c1O)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000179847510 822565608 /nfs/dbraw/zinc/56/56/08/822565608.db2.gz VBYWGMPZQAHNLK-XYPWUTKMSA-N 1 2 380.916 4.408 20 0 GIADLO COc1cc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)ccc1OC(=O)C1CC1 ZINC000179848846 822565802 /nfs/dbraw/zinc/56/58/02/822565802.db2.gz GTRUZKBUOZQUJR-UHFFFAOYSA-N 1 2 376.456 4.050 20 0 GIADLO COc1cc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)ccc1OC(=O)C1CC1 ZINC000179848846 822565804 /nfs/dbraw/zinc/56/58/04/822565804.db2.gz GTRUZKBUOZQUJR-UHFFFAOYSA-N 1 2 376.456 4.050 20 0 GIADLO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000454991107 822566911 /nfs/dbraw/zinc/56/69/11/822566911.db2.gz LDULEDQUYLZORK-FQEVSTJZSA-N 1 2 398.482 4.043 20 0 GIADLO COc1cccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1OC(F)F ZINC000179879143 822570154 /nfs/dbraw/zinc/57/01/54/822570154.db2.gz JFNTYCFFRXIFRI-UHFFFAOYSA-N 1 2 375.415 4.392 20 0 GIADLO CC(C)(C)N(Cc1ccccc1)C(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000179932038 822579360 /nfs/dbraw/zinc/57/93/60/822579360.db2.gz MULSXDRNFFLICZ-UHFFFAOYSA-N 1 2 390.409 4.277 20 0 GIADLO O=C(Nc1ccccc1CCC(F)(F)F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184123220 822582206 /nfs/dbraw/zinc/58/22/06/822582206.db2.gz JXEUVBGOEVNHEC-UHFFFAOYSA-N 1 2 392.425 4.321 20 0 GIADLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000047538690 822588426 /nfs/dbraw/zinc/58/84/26/822588426.db2.gz CJFRRWQGVDAGLW-UHFFFAOYSA-N 1 2 383.492 4.218 20 0 GIADLO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000455100908 822588915 /nfs/dbraw/zinc/58/89/15/822588915.db2.gz BASXRBXYBRZNGO-QRWLVFNGSA-N 1 2 395.894 4.213 20 0 GIADLO CCCN(C[C@H]1CCCCO1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455110640 822590264 /nfs/dbraw/zinc/59/02/64/822590264.db2.gz QBPOUOWPILVDGI-MRXNPFEDSA-N 1 2 390.915 4.016 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC[C@H]1CCCCC1(F)F ZINC000455111961 822590565 /nfs/dbraw/zinc/59/05/65/822590565.db2.gz SNDHYNVAHDCVIJ-CYBMUJFWSA-N 1 2 382.842 4.150 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000455119618 822591720 /nfs/dbraw/zinc/59/17/20/822591720.db2.gz QSWLSUWGEYYITJ-APWZRJJASA-N 1 2 377.448 4.185 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2ccccc2F)C[C@@H](C)O1 ZINC000047569451 822591871 /nfs/dbraw/zinc/59/18/71/822591871.db2.gz FGZICYDPSZZSBY-IAGOWNOFSA-N 1 2 385.483 4.099 20 0 GIADLO Cc1ccc(Br)cc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000047570802 822592295 /nfs/dbraw/zinc/59/22/95/822592295.db2.gz UYZYJIFDBMKLCC-UHFFFAOYSA-N 1 2 394.338 4.169 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccc2c(c1)CCC(=O)N2 ZINC000179998317 822593152 /nfs/dbraw/zinc/59/31/52/822593152.db2.gz PNIIXJSKJYVHEN-LBPRGKRZSA-N 1 2 382.851 4.126 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)n1 ZINC000184228435 822599617 /nfs/dbraw/zinc/59/96/17/822599617.db2.gz YAPKCVYSELFQHP-SCLBCKFNSA-N 1 2 389.521 4.209 20 0 GIADLO N#CCC[N@@H+](Cc1cc(Br)cc(Br)c1O)CC1CC1 ZINC000180057201 822605595 /nfs/dbraw/zinc/60/55/95/822605595.db2.gz NXSWNTDOQVYHAS-UHFFFAOYSA-N 1 2 388.103 4.043 20 0 GIADLO N#CCC[N@H+](Cc1cc(Br)cc(Br)c1O)CC1CC1 ZINC000180057201 822605597 /nfs/dbraw/zinc/60/55/97/822605597.db2.gz NXSWNTDOQVYHAS-UHFFFAOYSA-N 1 2 388.103 4.043 20 0 GIADLO CCOc1ccc(NC(=O)NCc2c[nH+]c(C)cc2C)cc1Br ZINC000455233489 822614004 /nfs/dbraw/zinc/61/40/04/822614004.db2.gz OPFFTEMLDJSCBI-UHFFFAOYSA-N 1 2 378.270 4.181 20 0 GIADLO CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000184345834 822619574 /nfs/dbraw/zinc/61/95/74/822619574.db2.gz YTRJVANPQVCJIE-PWSUYJOCSA-N 1 2 376.457 4.199 20 0 GIADLO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000184345850 822619597 /nfs/dbraw/zinc/61/95/97/822619597.db2.gz YTRJVANPQVCJIE-JQWIXIFHSA-N 1 2 376.457 4.199 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1nc(C)cs1 ZINC000184360929 822621993 /nfs/dbraw/zinc/62/19/93/822621993.db2.gz YJNWRMKQURKKLB-GOEBONIOSA-N 1 2 398.488 4.056 20 0 GIADLO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3F)CC2)C1 ZINC000048047483 822626578 /nfs/dbraw/zinc/62/65/78/822626578.db2.gz URZNNNCYXBREEY-AWEZNQCLSA-N 1 2 397.332 4.059 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000184400916 822628662 /nfs/dbraw/zinc/62/86/62/822628662.db2.gz FBDFPBYWFUMVNU-RISCZKNCSA-N 1 2 384.814 4.253 20 0 GIADLO CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000180173745 822632417 /nfs/dbraw/zinc/63/24/17/822632417.db2.gz ADFFUCAELVRQRQ-XNFNUYLZSA-N 1 2 396.934 4.326 20 0 GIADLO CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000180173745 822632419 /nfs/dbraw/zinc/63/24/19/822632419.db2.gz ADFFUCAELVRQRQ-XNFNUYLZSA-N 1 2 396.934 4.326 20 0 GIADLO COCCOC(=O)Nc1cccc(N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000180185842 822635053 /nfs/dbraw/zinc/63/50/53/822635053.db2.gz PIWVAPHEWYLFPM-MRXNPFEDSA-N 1 2 380.448 4.240 20 0 GIADLO Cn1ccnc1C[NH2+][C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000180206652 822639432 /nfs/dbraw/zinc/63/94/32/822639432.db2.gz FJALXWZVFUCWAM-SFHVURJKSA-N 1 2 393.384 4.488 20 0 GIADLO Fc1cccc(OC[C@H]([NH2+]Cc2ncc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000180207634 822639655 /nfs/dbraw/zinc/63/96/55/822639655.db2.gz WYLCDSQJFAEEMD-KRWDZBQOSA-N 1 2 379.357 4.478 20 0 GIADLO C[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cc2ccccc2o1 ZINC000048150123 822640215 /nfs/dbraw/zinc/64/02/15/822640215.db2.gz MBWLXPIIRLMNJO-KRWDZBQOSA-N 1 2 388.471 4.281 20 0 GIADLO O=C(Nc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1)[C@H]1CCCO1 ZINC000180230427 822644490 /nfs/dbraw/zinc/64/44/90/822644490.db2.gz VXYWHSMKDSRSOK-PKTZIBPZSA-N 1 2 387.483 4.078 20 0 GIADLO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1nc(C(C)(C)C)cs1 ZINC000184500349 822646063 /nfs/dbraw/zinc/64/60/63/822646063.db2.gz DZWFZPAYEANHFY-FZMZJTMJSA-N 1 2 379.476 4.175 20 0 GIADLO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1nc(C(C)(C)C)cs1 ZINC000184500334 822646070 /nfs/dbraw/zinc/64/60/70/822646070.db2.gz DZWFZPAYEANHFY-BXUZGUMPSA-N 1 2 379.476 4.175 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)c1nc(C(C)(C)C)cs1 ZINC000184508667 822647481 /nfs/dbraw/zinc/64/74/81/822647481.db2.gz PYGLRKYKUAHIQC-SNVBAGLBSA-N 1 2 392.525 4.479 20 0 GIADLO CC(C)[N@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1ccccn1 ZINC000048273500 822650796 /nfs/dbraw/zinc/65/07/96/822650796.db2.gz JGZPVZZAPJRVGP-UHFFFAOYSA-N 1 2 380.536 4.311 20 0 GIADLO CC(C)[N@@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1ccccn1 ZINC000048273500 822650797 /nfs/dbraw/zinc/65/07/97/822650797.db2.gz JGZPVZZAPJRVGP-UHFFFAOYSA-N 1 2 380.536 4.311 20 0 GIADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 ZINC000184556917 822656933 /nfs/dbraw/zinc/65/69/33/822656933.db2.gz NJUAVKUFHVEAKX-YGRLFVJLSA-N 1 2 390.789 4.256 20 0 GIADLO COc1ccccc1N1C(=O)c2ccccc2/C(=C\c2cccc3[nH+]ccn32)C1=O ZINC000180311293 822661715 /nfs/dbraw/zinc/66/17/15/822661715.db2.gz KAEQZPWEXSEHNI-XDJHFCHBSA-N 1 2 395.418 4.071 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2ccc(Br)cc2F)c2ccc(F)cc2)cn1 ZINC000184588826 822662140 /nfs/dbraw/zinc/66/21/40/822662140.db2.gz OEXVVHZUHUGRNO-GOSISDBHSA-N 1 2 392.247 4.340 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C)[nH+]1 ZINC000455478457 822662433 /nfs/dbraw/zinc/66/24/33/822662433.db2.gz FYDWUXMPLUPRLN-WMZOPIPTSA-N 1 2 377.847 4.451 20 0 GIADLO COC[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccco1 ZINC000184591487 822662547 /nfs/dbraw/zinc/66/25/47/822662547.db2.gz VVLFACXNXSLMJQ-VQTJNVASSA-N 1 2 384.520 4.218 20 0 GIADLO CC(C)c1ccc(NC(=O)C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000184599307 822663854 /nfs/dbraw/zinc/66/38/54/822663854.db2.gz XNQJXNQQFAHYNQ-QFIPXVFZSA-N 1 2 380.467 4.000 20 0 GIADLO CCc1ccc2c(C[NH2+][C@@H](c3cnn(C)c3)c3ccc(F)cc3)cc(=O)oc2c1 ZINC000184601690 822664236 /nfs/dbraw/zinc/66/42/36/822664236.db2.gz XXSSRZAAPQDNSQ-HSZRJFAPSA-N 1 2 391.446 4.107 20 0 GIADLO COC(=O)c1ccc([C@@H](NC(=O)Nc2c(C)cc(C)[nH+]c2C)C(F)(F)F)cc1 ZINC000455500083 822666536 /nfs/dbraw/zinc/66/65/36/822666536.db2.gz STVCZORXLWXPDP-MRXNPFEDSA-N 1 2 395.381 4.219 20 0 GIADLO CC(C)Oc1ccccc1[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000048485381 822667001 /nfs/dbraw/zinc/66/70/01/822667001.db2.gz ZTVIYKZWIAGDLS-QGZVFWFLSA-N 1 2 382.508 4.029 20 0 GIADLO CC(C)Oc1cccc([C@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000048485386 822667039 /nfs/dbraw/zinc/66/70/39/822667039.db2.gz TWYZVFVJJCWUEJ-KRWDZBQOSA-N 1 2 382.508 4.029 20 0 GIADLO CSc1ccc([C@H](C)NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000048508022 822668574 /nfs/dbraw/zinc/66/85/74/822668574.db2.gz ILBNKMSSWSEHFB-KRWDZBQOSA-N 1 2 394.544 4.256 20 0 GIADLO COCCCOc1cccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000184665079 822672590 /nfs/dbraw/zinc/67/25/90/822672590.db2.gz QISVVSVRUOPZSW-HNNXBMFYSA-N 1 2 385.439 4.142 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c[nH+]1 ZINC000455569048 822676122 /nfs/dbraw/zinc/67/61/22/822676122.db2.gz KDMMKESIWPZIPP-OAHLLOKOSA-N 1 2 382.439 4.068 20 0 GIADLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1nncn1-c1ccccc1 ZINC000048711640 822679466 /nfs/dbraw/zinc/67/94/66/822679466.db2.gz FAIYTNZIPXWRGO-UHFFFAOYSA-N 1 2 392.894 4.013 20 0 GIADLO Cc1cccc(-c2nnc(SCCCn3cc[nH+]c3)n2Cc2ccco2)c1 ZINC000180432394 822680766 /nfs/dbraw/zinc/68/07/66/822680766.db2.gz CRXSVMPYNLRWSI-UHFFFAOYSA-N 1 2 379.489 4.274 20 0 GIADLO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2c(F)cccc2F)cn1 ZINC000048749631 822681160 /nfs/dbraw/zinc/68/11/60/822681160.db2.gz XWPOQYYARWUVEA-UHFFFAOYSA-N 1 2 386.398 4.459 20 0 GIADLO CC(C)c1nc([C@@H](C)[NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)cs1 ZINC000184724316 822682272 /nfs/dbraw/zinc/68/22/72/822682272.db2.gz IFZYJOVLXBRLAU-QGZVFWFLSA-N 1 2 385.577 4.398 20 0 GIADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@H](C)c1csc(CC)n1 ZINC000184728924 822683007 /nfs/dbraw/zinc/68/30/07/822683007.db2.gz CXUNLSNFUNKVDL-GDBMZVCRSA-N 1 2 375.538 4.022 20 0 GIADLO Cc1nc(C[NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)cs1 ZINC000048782775 822683071 /nfs/dbraw/zinc/68/30/71/822683071.db2.gz KTDOKMCDAPZQKV-UHFFFAOYSA-N 1 2 391.338 4.306 20 0 GIADLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180447045 822683799 /nfs/dbraw/zinc/68/37/99/822683799.db2.gz RFWQGNSUCORQHQ-NRFANRHFSA-N 1 2 393.399 4.391 20 0 GIADLO COC[C@H]([NH2+][C@H](C)C(=O)NC(c1ccccc1)c1ccccc1)c1ccc(C)o1 ZINC000184760588 822687282 /nfs/dbraw/zinc/68/72/82/822687282.db2.gz FMMBBFLXFSYPHY-NQIIRXRSSA-N 1 2 392.499 4.159 20 0 GIADLO COC[C@H]([NH2+][C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1)c1ccc(C)o1 ZINC000184760552 822687306 /nfs/dbraw/zinc/68/73/06/822687306.db2.gz FMMBBFLXFSYPHY-RXVVDRJESA-N 1 2 392.499 4.159 20 0 GIADLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000455636782 822688106 /nfs/dbraw/zinc/68/81/06/822688106.db2.gz IETALZYLDHGCMA-LAUBAEHRSA-N 1 2 394.906 4.132 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)o1 ZINC000184789997 822691374 /nfs/dbraw/zinc/69/13/74/822691374.db2.gz GEGBLNMJAOKOEP-BLLLJJGKSA-N 1 2 384.398 4.165 20 0 GIADLO CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000455666015 822695305 /nfs/dbraw/zinc/69/53/05/822695305.db2.gz VKCGDKWYQMMCNO-OFNKIYASSA-N 1 2 388.515 4.041 20 0 GIADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SC(F)F ZINC000180525085 822696123 /nfs/dbraw/zinc/69/61/23/822696123.db2.gz RYUCGRLBSOSCPN-AWEZNQCLSA-N 1 2 380.464 4.117 20 0 GIADLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SC(F)F ZINC000180525085 822696125 /nfs/dbraw/zinc/69/61/25/822696125.db2.gz RYUCGRLBSOSCPN-AWEZNQCLSA-N 1 2 380.464 4.117 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)o1 ZINC000184828005 822696329 /nfs/dbraw/zinc/69/63/29/822696329.db2.gz PKMHQLRACOVTTJ-WMLDXEAASA-N 1 2 378.900 4.417 20 0 GIADLO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ncc(Br)s1 ZINC000180528494 822696701 /nfs/dbraw/zinc/69/67/01/822696701.db2.gz YUUMESNRCVDLML-VIFPVBQESA-N 1 2 377.254 4.400 20 0 GIADLO CC(C)c1ccc(SCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000049309544 822698018 /nfs/dbraw/zinc/69/80/18/822698018.db2.gz PFYCGUQGDZVBKQ-UHFFFAOYSA-N 1 2 379.529 4.463 20 0 GIADLO C[C@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1ncc(-c2ccccc2)o1 ZINC000184844065 822698921 /nfs/dbraw/zinc/69/89/21/822698921.db2.gz DFLNKEADCGLDAP-HNNXBMFYSA-N 1 2 383.879 4.005 20 0 GIADLO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1ncc(-c2ccccc2)o1 ZINC000184887388 822707420 /nfs/dbraw/zinc/70/74/20/822707420.db2.gz WQFDNARPPPBIHK-KRWDZBQOSA-N 1 2 375.472 4.183 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000049974288 822712900 /nfs/dbraw/zinc/71/29/00/822712900.db2.gz ZFJKHWMBAOXWPT-VFNWGFHPSA-N 1 2 380.444 4.003 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)s1 ZINC000184987375 822722189 /nfs/dbraw/zinc/72/21/89/822722189.db2.gz NJJBJZLJHPVQDO-SNVBAGLBSA-N 1 2 394.472 4.143 20 0 GIADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000184990831 822722703 /nfs/dbraw/zinc/72/27/03/822722703.db2.gz BCDGKCDNMUHJFP-TZMCWYRMSA-N 1 2 385.459 4.116 20 0 GIADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000184990831 822722704 /nfs/dbraw/zinc/72/27/04/822722704.db2.gz BCDGKCDNMUHJFP-TZMCWYRMSA-N 1 2 385.459 4.116 20 0 GIADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)s1 ZINC000185026552 822726877 /nfs/dbraw/zinc/72/68/77/822726877.db2.gz WNYOFKCCHPFVHZ-JLLWLGSASA-N 1 2 388.562 4.286 20 0 GIADLO O=C(CCCOc1ccccc1Cl)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000050345524 822726899 /nfs/dbraw/zinc/72/68/99/822726899.db2.gz KVCRRNWAQHBWNU-UHFFFAOYSA-N 1 2 387.842 4.140 20 0 GIADLO COc1ccc2cc([C@H](C)C(=O)NCc3[nH+]cc(C)c(OC)c3C)ccc2c1 ZINC000050449073 822729650 /nfs/dbraw/zinc/72/96/50/822729650.db2.gz IOYQWQVLFMECBW-HNNXBMFYSA-N 1 2 378.472 4.289 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1nccs1 ZINC000185058213 822730424 /nfs/dbraw/zinc/73/04/24/822730424.db2.gz FPRHSZNYVMCPRC-ZDUSSCGKSA-N 1 2 376.482 4.085 20 0 GIADLO C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185063441 822731340 /nfs/dbraw/zinc/73/13/40/822731340.db2.gz JLHLZNGPUDWIAA-AWEZNQCLSA-N 1 2 395.330 4.382 20 0 GIADLO CC(C)C(=O)c1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000455816537 822731529 /nfs/dbraw/zinc/73/15/29/822731529.db2.gz KIQZOSNAVRSHJL-UHFFFAOYSA-N 1 2 380.492 4.232 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(Cl)cnc1OC(C)C ZINC000455837288 822734465 /nfs/dbraw/zinc/73/44/65/822734465.db2.gz KOPKCHPEZOWNHE-UHFFFAOYSA-N 1 2 393.919 4.225 20 0 GIADLO C[C@@H]([NH2+]Cc1ccoc1)c1cc(Br)cc(Br)c1O ZINC000185106682 822738005 /nfs/dbraw/zinc/73/80/05/822738005.db2.gz HTRAUNWFLQFRNX-MRVPVSSYSA-N 1 2 375.060 4.361 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cc(F)cc4cccnc43)n2)c1 ZINC000185124706 822740173 /nfs/dbraw/zinc/74/01/73/822740173.db2.gz QEMWXQTXYRSHNU-ZDUSSCGKSA-N 1 2 378.407 4.283 20 0 GIADLO COc1c(C)c[nH+]c(CN[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1C ZINC000051164901 822748922 /nfs/dbraw/zinc/74/89/22/822748922.db2.gz CYFRKVIDPHGITM-QFIPXVFZSA-N 1 2 389.499 4.485 20 0 GIADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000455921235 822749925 /nfs/dbraw/zinc/74/99/25/822749925.db2.gz OMXFYZXDYRQZPL-OWCLPIDISA-N 1 2 377.271 4.172 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(Br)cc(F)c1O ZINC000185232514 822752598 /nfs/dbraw/zinc/75/25/98/822752598.db2.gz ODZRCIUKKUGTIA-SNVBAGLBSA-N 1 2 385.252 4.350 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1C ZINC000051333990 822756492 /nfs/dbraw/zinc/75/64/92/822756492.db2.gz YOUYMUIZJCHZGN-CQSZACIVSA-N 1 2 384.505 4.219 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)NC(c2ccccc2)c2ccccc2)c1C ZINC000051335176 822756627 /nfs/dbraw/zinc/75/66/27/822756627.db2.gz HMKASHYMUMOMCX-UHFFFAOYSA-N 1 2 375.472 4.296 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3nc4ccccc4s3)CC2)cc1 ZINC000174281553 822762355 /nfs/dbraw/zinc/76/23/55/822762355.db2.gz NSKHIGRUUSUGGN-UHFFFAOYSA-N 1 2 395.532 4.153 20 0 GIADLO CN(C(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)c1nc2ccccc2s1 ZINC000185325202 822766337 /nfs/dbraw/zinc/76/63/37/822766337.db2.gz AZIZSCHVABSYBP-CYBMUJFWSA-N 1 2 387.455 4.027 20 0 GIADLO CN(C(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)c1nc2ccccc2s1 ZINC000185325202 822766339 /nfs/dbraw/zinc/76/63/39/822766339.db2.gz AZIZSCHVABSYBP-CYBMUJFWSA-N 1 2 387.455 4.027 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(Br)cc2C)c1C ZINC000051585384 822766789 /nfs/dbraw/zinc/76/67/89/822766789.db2.gz ZYKFQIJIUUCSST-UHFFFAOYSA-N 1 2 378.270 4.100 20 0 GIADLO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000051588698 822767482 /nfs/dbraw/zinc/76/74/82/822767482.db2.gz AQZYFWOBPXZSIZ-OAHLLOKOSA-N 1 2 390.516 4.213 20 0 GIADLO COc1ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c(C(F)(F)F)c1 ZINC000051615291 822768642 /nfs/dbraw/zinc/76/86/42/822768642.db2.gz ROZKWCNEUNQDRV-UHFFFAOYSA-N 1 2 383.370 4.056 20 0 GIADLO C[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](c2ccco2)C1 ZINC000174335137 822773295 /nfs/dbraw/zinc/77/32/95/822773295.db2.gz KVXBDPVXKIZUKP-DNVCBOLYSA-N 1 2 382.439 4.287 20 0 GIADLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000185388691 822777052 /nfs/dbraw/zinc/77/70/52/822777052.db2.gz CQOYSHHDZWLCFJ-HUUCEWRRSA-N 1 2 380.579 4.262 20 0 GIADLO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000174412390 822786660 /nfs/dbraw/zinc/78/66/60/822786660.db2.gz XCCWFRFAOYBKKN-HXUWFJFHSA-N 1 2 384.524 4.416 20 0 GIADLO Cc1nc(C(F)(F)F)c(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)s1 ZINC000185459400 822786951 /nfs/dbraw/zinc/78/69/51/822786951.db2.gz DOGJTNHLOKXRAL-NSHDSACASA-N 1 2 375.485 4.411 20 0 GIADLO Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000185479531 822788964 /nfs/dbraw/zinc/78/89/64/822788964.db2.gz LEVZCNXWRACESA-UHFFFAOYSA-N 1 2 377.835 4.272 20 0 GIADLO COc1ccc(-c2noc(C[N@H+](C)Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000052047887 822789063 /nfs/dbraw/zinc/78/90/63/822789063.db2.gz KITNBEOCZZWQSS-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+](C)Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000052047887 822789067 /nfs/dbraw/zinc/78/90/67/822789067.db2.gz KITNBEOCZZWQSS-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO COc1ccc(NC(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)c(OC)c1 ZINC000052070802 822789552 /nfs/dbraw/zinc/78/95/52/822789552.db2.gz GNWZTHFCCKXXDQ-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)c(OC)c1 ZINC000052070802 822789556 /nfs/dbraw/zinc/78/95/56/822789556.db2.gz GNWZTHFCCKXXDQ-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO Cc1nc(C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)sc1C ZINC000174434228 822789641 /nfs/dbraw/zinc/78/96/41/822789641.db2.gz BRODJDYXGSFMAF-UHFFFAOYSA-N 1 2 378.904 4.395 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nc(-c2cccs2)no1 ZINC000185619096 822802928 /nfs/dbraw/zinc/80/29/28/822802928.db2.gz AYXBWNNYUXJPKU-SECBINFHSA-N 1 2 385.415 4.025 20 0 GIADLO CCO[C@H](C)c1nc(C[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cs1 ZINC000185629347 822804135 /nfs/dbraw/zinc/80/41/35/822804135.db2.gz GYKMGSRFGQBNNZ-ZWNOBZJWSA-N 1 2 390.475 4.467 20 0 GIADLO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000052715174 822808316 /nfs/dbraw/zinc/80/83/16/822808316.db2.gz QIUBYYHLEIOMOK-NRFANRHFSA-N 1 2 395.434 4.092 20 0 GIADLO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000052715174 822808317 /nfs/dbraw/zinc/80/83/17/822808317.db2.gz QIUBYYHLEIOMOK-NRFANRHFSA-N 1 2 395.434 4.092 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1ccc(Br)cc1F ZINC000052803134 822810942 /nfs/dbraw/zinc/81/09/42/822810942.db2.gz SLUACKKBOQUECS-OAHLLOKOSA-N 1 2 383.286 4.425 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)Nc1ccc(Br)cc1F ZINC000052803134 822810943 /nfs/dbraw/zinc/81/09/43/822810943.db2.gz SLUACKKBOQUECS-OAHLLOKOSA-N 1 2 383.286 4.425 20 0 GIADLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc2)c1 ZINC000174631378 822814712 /nfs/dbraw/zinc/81/47/12/822814712.db2.gz HHLSGUAOZSFARF-OAQYLSRUSA-N 1 2 387.451 4.248 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1O ZINC000174632438 822814986 /nfs/dbraw/zinc/81/49/86/822814986.db2.gz QBENNEZJYWQOBU-GFCCVEGCSA-N 1 2 397.302 4.017 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1O ZINC000174632438 822814989 /nfs/dbraw/zinc/81/49/89/822814989.db2.gz QBENNEZJYWQOBU-GFCCVEGCSA-N 1 2 397.302 4.017 20 0 GIADLO Cc1nc(COc2cccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)c2)cs1 ZINC000052910160 822815121 /nfs/dbraw/zinc/81/51/21/822815121.db2.gz RUICUXFCTBLXEP-UHFFFAOYSA-N 1 2 390.468 4.469 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cc(Br)cs3)n2)c1 ZINC000174656267 822818979 /nfs/dbraw/zinc/81/89/79/822818979.db2.gz DXNKXYQMMYWWQV-JTQLQIEISA-N 1 2 394.294 4.420 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cccc(OC(F)F)c3)n2)c1 ZINC000174658649 822819518 /nfs/dbraw/zinc/81/95/18/822819518.db2.gz WYAXDKUOXIJLLP-LBPRGKRZSA-N 1 2 375.375 4.197 20 0 GIADLO C[C@@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)c1nc(C(C)(C)C)no1 ZINC000174660042 822819925 /nfs/dbraw/zinc/81/99/25/822819925.db2.gz FENACFHRAMLRHY-LLVKDONJSA-N 1 2 392.297 4.256 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000053139350 822823209 /nfs/dbraw/zinc/82/32/09/822823209.db2.gz BYMVDDVWFGNLLI-INIZCTEOSA-N 1 2 385.489 4.325 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000053139350 822823211 /nfs/dbraw/zinc/82/32/11/822823211.db2.gz BYMVDDVWFGNLLI-INIZCTEOSA-N 1 2 385.489 4.325 20 0 GIADLO C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C(=O)c1cccc(F)c1 ZINC000174695224 822824545 /nfs/dbraw/zinc/82/45/45/822824545.db2.gz CMDACJAJJVDTIZ-KRWDZBQOSA-N 1 2 397.494 4.126 20 0 GIADLO Cc1ccc(C)c([C@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@H](C)CO2)c1 ZINC000174708979 822826583 /nfs/dbraw/zinc/82/65/83/822826583.db2.gz MRSYNXCQVYNIQR-XMSQKQJNSA-N 1 2 375.472 4.091 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000456818514 822834584 /nfs/dbraw/zinc/83/45/84/822834584.db2.gz DJVOQNVDDNVGBZ-UHFFFAOYSA-N 1 2 395.453 4.305 20 0 GIADLO Cc1cc(C)c(CNC(=O)[C@H](C)Sc2ccc(Br)cc2)c[nH+]1 ZINC000456858425 822838676 /nfs/dbraw/zinc/83/86/76/822838676.db2.gz LMXWCJOCSIICKA-ZDUSSCGKSA-N 1 2 379.323 4.258 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000174861878 822848042 /nfs/dbraw/zinc/84/80/42/822848042.db2.gz JEEYSXHCEZQGJU-LJQANCHMSA-N 1 2 396.560 4.006 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(c2cccc(F)c2)CCC1 ZINC000174894688 822851911 /nfs/dbraw/zinc/85/19/11/822851911.db2.gz YGRKEBTYRLXYSD-UHFFFAOYSA-N 1 2 395.522 4.408 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000174904003 822853475 /nfs/dbraw/zinc/85/34/75/822853475.db2.gz WHEKDLIDGFRONR-UHFFFAOYSA-N 1 2 388.515 4.455 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000174906900 822853788 /nfs/dbraw/zinc/85/37/88/822853788.db2.gz GSVVZTRLXCCMBG-ROUUACIJSA-N 1 2 399.485 4.228 20 0 GIADLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)c1cccc(Br)c1 ZINC000174958727 822861297 /nfs/dbraw/zinc/86/12/97/822861297.db2.gz FRSWSZMUSRCUPK-NSHDSACASA-N 1 2 395.244 4.090 20 0 GIADLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@H](O)c1cccc(Br)c1 ZINC000174958727 822861298 /nfs/dbraw/zinc/86/12/98/822861298.db2.gz FRSWSZMUSRCUPK-NSHDSACASA-N 1 2 395.244 4.090 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccnc(OCc2ccccc2)c1 ZINC000054114683 822862848 /nfs/dbraw/zinc/86/28/48/822862848.db2.gz OQPLCALGYOWPOD-UHFFFAOYSA-N 1 2 388.402 4.238 20 0 GIADLO CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cs1 ZINC000186276841 822869144 /nfs/dbraw/zinc/86/91/44/822869144.db2.gz WWZMPCMVHJINTO-QAPCUYQASA-N 1 2 387.549 4.026 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2Cl)c1 ZINC000175025524 822869950 /nfs/dbraw/zinc/86/99/50/822869950.db2.gz CCTLXKOABBNUQY-NWDGAFQWSA-N 1 2 380.847 4.174 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C)c4cccc(O)c43)cn2c1 ZINC000186326022 822876515 /nfs/dbraw/zinc/87/65/15/822876515.db2.gz STLPZGUQZPNSCK-OAHLLOKOSA-N 1 2 381.501 4.122 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3cccc4c3CCCN4)n2)C1 ZINC000569090450 822879433 /nfs/dbraw/zinc/87/94/33/822879433.db2.gz ZABRVOJCPTYJRS-HNNXBMFYSA-N 1 2 399.564 4.055 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3cccc4c3CCCN4)n2)C1 ZINC000569090450 822879438 /nfs/dbraw/zinc/87/94/38/822879438.db2.gz ZABRVOJCPTYJRS-HNNXBMFYSA-N 1 2 399.564 4.055 20 0 GIADLO Cc1nc(-c2cccc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)c2)cs1 ZINC000569112541 822880797 /nfs/dbraw/zinc/88/07/97/822880797.db2.gz HAXQAKISCRVYSZ-UHFFFAOYSA-N 1 2 388.496 4.293 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1cccc3ccccc31)C2 ZINC000054390155 822880980 /nfs/dbraw/zinc/88/09/80/822880980.db2.gz VXDSGEXSAPXONA-INIZCTEOSA-N 1 2 387.483 4.184 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1cccc3ccccc31)C2 ZINC000054390155 822880986 /nfs/dbraw/zinc/88/09/86/822880986.db2.gz VXDSGEXSAPXONA-INIZCTEOSA-N 1 2 387.483 4.184 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)c1nnc(-c3cccc(C)c3)o1)C2 ZINC000054390924 822881168 /nfs/dbraw/zinc/88/11/68/822881168.db2.gz NKPQFYLPTXEPBJ-OAHLLOKOSA-N 1 2 376.460 4.123 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)c1nnc(-c3cccc(C)c3)o1)C2 ZINC000054390924 822881172 /nfs/dbraw/zinc/88/11/72/822881172.db2.gz NKPQFYLPTXEPBJ-OAHLLOKOSA-N 1 2 376.460 4.123 20 0 GIADLO O=C(CCCCc1nc2ccccc2s1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186390525 822886774 /nfs/dbraw/zinc/88/67/74/822886774.db2.gz TZIVRUKQLNSSBZ-UHFFFAOYSA-N 1 2 394.544 4.143 20 0 GIADLO CC(C)(c1ccccc1)C1(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000457553801 822890236 /nfs/dbraw/zinc/89/02/36/822890236.db2.gz JQIANQRSDHPLII-UHFFFAOYSA-N 1 2 388.515 4.241 20 0 GIADLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000186422071 822891841 /nfs/dbraw/zinc/89/18/41/822891841.db2.gz VPZBFTFQYFKIAF-UHFFFAOYSA-N 1 2 377.263 4.107 20 0 GIADLO CC(C)c1nn(C)c(Cl)c1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000175150550 822892540 /nfs/dbraw/zinc/89/25/40/822892540.db2.gz QOXFQFNWRKTVAE-UHFFFAOYSA-N 1 2 395.960 4.138 20 0 GIADLO CCOc1cc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc(Cl)c1OC ZINC000186425145 822892638 /nfs/dbraw/zinc/89/26/38/822892638.db2.gz FCQBTSPCTIAIMA-UHFFFAOYSA-N 1 2 382.888 4.340 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)[C@H](C)c1nc2ccccc2s1 ZINC000186433718 822894587 /nfs/dbraw/zinc/89/45/87/822894587.db2.gz RYROKVKBDAMGCT-GJZGRUSLSA-N 1 2 393.516 4.275 20 0 GIADLO COc1ccc2cc([C@H](C)[NH2+]Cc3nc(COc4ccccc4)n[nH]3)ccc2c1 ZINC000186435475 822894982 /nfs/dbraw/zinc/89/49/82/822894982.db2.gz XFBTVFJKZATTSS-INIZCTEOSA-N 1 2 388.471 4.396 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000457609463 822896934 /nfs/dbraw/zinc/89/69/34/822896934.db2.gz TZDASWNCSDVFQO-OPYAIIAOSA-N 1 2 378.520 4.158 20 0 GIADLO COc1ccc([C@@H](C)CCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000175182356 822899309 /nfs/dbraw/zinc/89/93/09/822899309.db2.gz SLQSKEKTQZGRRX-SFHVURJKSA-N 1 2 396.535 4.074 20 0 GIADLO C[N@H+](Cc1nc(C2(c3ccc(F)cc3F)CCCC2)no1)[C@H]1CCSC1 ZINC000569290271 822902298 /nfs/dbraw/zinc/90/22/98/822902298.db2.gz KJBGIZYCNFMTMA-AWEZNQCLSA-N 1 2 379.476 4.145 20 0 GIADLO C[N@@H+](Cc1nc(C2(c3ccc(F)cc3F)CCCC2)no1)[C@H]1CCSC1 ZINC000569290271 822902301 /nfs/dbraw/zinc/90/23/01/822902301.db2.gz KJBGIZYCNFMTMA-AWEZNQCLSA-N 1 2 379.476 4.145 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC3(C2)CCCCC3)C[C@H](C)O1 ZINC000175212761 822905716 /nfs/dbraw/zinc/90/57/16/822905716.db2.gz UPFJAJTZMRDNRY-OALUTQOASA-N 1 2 385.552 4.484 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC000175212565 822905741 /nfs/dbraw/zinc/90/57/41/822905741.db2.gz COTGNSOXKGHULL-GJZGRUSLSA-N 1 2 399.457 4.102 20 0 GIADLO COc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000175234285 822910758 /nfs/dbraw/zinc/91/07/58/822910758.db2.gz MBWHMGHNQRCUCP-HXUWFJFHSA-N 1 2 396.535 4.277 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000186561045 822913288 /nfs/dbraw/zinc/91/32/88/822913288.db2.gz QSIVWXDUKCODQS-UHFFFAOYSA-N 1 2 399.800 4.151 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@H]1CCCc1ccccc1 ZINC000569415473 822919659 /nfs/dbraw/zinc/91/96/59/822919659.db2.gz MKUZEASVDUEGGC-HSZRJFAPSA-N 1 2 387.527 4.488 20 0 GIADLO Cc1c([C@H](C)[NH2+]Cc2cc(Cl)cc3c2OCC3)nnn1-c1ccc(F)cc1 ZINC000186617074 822924105 /nfs/dbraw/zinc/92/41/05/822924105.db2.gz DEDMNJDHGLJSDG-LBPRGKRZSA-N 1 2 386.858 4.154 20 0 GIADLO Cc1csc(Nc2ccc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)n1 ZINC000569515707 822932884 /nfs/dbraw/zinc/93/28/84/822932884.db2.gz TXKNXHRGANNNMI-KSSFIOAISA-N 1 2 381.505 4.115 20 0 GIADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000457933808 822939456 /nfs/dbraw/zinc/93/94/56/822939456.db2.gz DRRIJPCBUCRPAE-LZWOXQAQSA-N 1 2 380.414 4.133 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000186722813 822944724 /nfs/dbraw/zinc/94/47/24/822944724.db2.gz XULODSYRPLNTKR-UHFFFAOYSA-N 1 2 396.506 4.318 20 0 GIADLO CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000569618204 822945530 /nfs/dbraw/zinc/94/55/30/822945530.db2.gz DGWWPNQWZCIVCC-UHFFFAOYSA-N 1 2 390.487 4.130 20 0 GIADLO CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000569618204 822945533 /nfs/dbraw/zinc/94/55/33/822945533.db2.gz DGWWPNQWZCIVCC-UHFFFAOYSA-N 1 2 390.487 4.130 20 0 GIADLO COCc1cccc(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000186731927 822946792 /nfs/dbraw/zinc/94/67/92/822946792.db2.gz YIWWKZSNDWJTMS-UHFFFAOYSA-N 1 2 375.472 4.214 20 0 GIADLO COc1cc(C)c(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1F ZINC000186741517 822948314 /nfs/dbraw/zinc/94/83/14/822948314.db2.gz BYJGDXFHNRRBDX-TZIWHRDSSA-N 1 2 394.450 4.390 20 0 GIADLO CC[C@H]([NH2+]Cc1cc(Br)ccc1Br)c1nccn1C ZINC000186760295 822951009 /nfs/dbraw/zinc/95/10/09/822951009.db2.gz SDIAWXLJVAJAGN-ZDUSSCGKSA-N 1 2 387.119 4.186 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569690952 822955662 /nfs/dbraw/zinc/95/56/62/822955662.db2.gz WQRXDICLIUKXIL-RHSMWYFYSA-N 1 2 381.904 4.148 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(NC)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569690952 822955665 /nfs/dbraw/zinc/95/56/65/822955665.db2.gz WQRXDICLIUKXIL-RHSMWYFYSA-N 1 2 381.904 4.148 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175390517 822956387 /nfs/dbraw/zinc/95/63/87/822956387.db2.gz SNOOUXTVVVEAKC-SXBQZSJRSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175390517 822956390 /nfs/dbraw/zinc/95/63/90/822956390.db2.gz SNOOUXTVVVEAKC-SXBQZSJRSA-N 1 2 378.925 4.017 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175409398 822961640 /nfs/dbraw/zinc/96/16/40/822961640.db2.gz XOPRCLOZKGZETA-OQRWROFFSA-N 1 2 386.561 4.180 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175409398 822961642 /nfs/dbraw/zinc/96/16/42/822961642.db2.gz XOPRCLOZKGZETA-OQRWROFFSA-N 1 2 386.561 4.180 20 0 GIADLO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175433132 822967591 /nfs/dbraw/zinc/96/75/91/822967591.db2.gz MASQVLRFQXXIKP-QHCPKHFHSA-N 1 2 390.531 4.403 20 0 GIADLO C[C@@H](Cn1ncc2ccccc21)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000569818211 822972360 /nfs/dbraw/zinc/97/23/60/822972360.db2.gz ODOLVOCNTPMKBN-INIZCTEOSA-N 1 2 384.443 4.135 20 0 GIADLO CCNc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569854483 822976322 /nfs/dbraw/zinc/97/63/22/822976322.db2.gz FBCWYWNMIZEKIX-HNNXBMFYSA-N 1 2 386.927 4.324 20 0 GIADLO FC(F)C(F)(F)COc1cc(NCc2cn3cc(Cl)ccc3n2)cc[nH+]1 ZINC000569895053 822982154 /nfs/dbraw/zinc/98/21/54/822982154.db2.gz JUBXASLAFMYMSJ-UHFFFAOYSA-N 1 2 388.752 4.274 20 0 GIADLO O=C(C[NH+]1CCC(c2ccsc2)CC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000186952753 822985871 /nfs/dbraw/zinc/98/58/71/822985871.db2.gz AALQVTAHHRWHOK-HXUWFJFHSA-N 1 2 397.569 4.290 20 0 GIADLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)C1=O ZINC000569944826 822988282 /nfs/dbraw/zinc/98/82/82/822988282.db2.gz HGNYCBNFYVIYGS-RZQQEMMASA-N 1 2 393.462 4.493 20 0 GIADLO CCOc1ccc(CCC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC000569972651 822991533 /nfs/dbraw/zinc/99/15/33/822991533.db2.gz JQJLCRFGMZXKAX-UHFFFAOYSA-N 1 2 383.879 4.173 20 0 GIADLO Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000055709249 823001529 /nfs/dbraw/zinc/00/15/29/823001529.db2.gz IRKKJAVPBKEIGB-UHFFFAOYSA-N 1 2 375.472 4.173 20 0 GIADLO O=C(CC[N@@H+]1CCSC[C@@H]1c1nccs1)Nc1cccc2ccccc21 ZINC000187064271 823005684 /nfs/dbraw/zinc/00/56/84/823005684.db2.gz WQXSKTRNDDYVRL-GOSISDBHSA-N 1 2 383.542 4.415 20 0 GIADLO O=C(CC[N@H+]1CCSC[C@@H]1c1nccs1)Nc1cccc2ccccc21 ZINC000187064271 823005687 /nfs/dbraw/zinc/00/56/87/823005687.db2.gz WQXSKTRNDDYVRL-GOSISDBHSA-N 1 2 383.542 4.415 20 0 GIADLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187074782 823006971 /nfs/dbraw/zinc/00/69/71/823006971.db2.gz LXGSUDRSPLPOAS-MGPUTAFESA-N 1 2 381.863 4.128 20 0 GIADLO Cc1cccc(Cc2nc(-c3ccccc3C[NH+]3CCOCC3)no2)c1Cl ZINC000570127468 823008180 /nfs/dbraw/zinc/00/81/80/823008180.db2.gz YWJGNXRALQBFHX-UHFFFAOYSA-N 1 2 383.879 4.121 20 0 GIADLO O=C(C[C@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1)NCc1ccc(F)cc1 ZINC000570158115 823011321 /nfs/dbraw/zinc/01/13/21/823011321.db2.gz NSUQUSBINMPMTL-QGZVFWFLSA-N 1 2 395.453 4.436 20 0 GIADLO C[C@H](c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1)C(F)(F)F ZINC000570252748 823019528 /nfs/dbraw/zinc/01/95/28/823019528.db2.gz HGIKOKFQQOCXMN-DAXOMENPSA-N 1 2 381.398 4.328 20 0 GIADLO C[C@H](c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1)C(F)(F)F ZINC000570252748 823019531 /nfs/dbraw/zinc/01/95/31/823019531.db2.gz HGIKOKFQQOCXMN-DAXOMENPSA-N 1 2 381.398 4.328 20 0 GIADLO O=C(NCCCSc1ccc(F)cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000570263239 823020807 /nfs/dbraw/zinc/02/08/07/823020807.db2.gz SYJYRUBEWPTSRN-UHFFFAOYSA-N 1 2 398.507 4.052 20 0 GIADLO Cc1ccc(C[S@](=O)Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c(C)[nH+]1 ZINC000187178938 823021418 /nfs/dbraw/zinc/02/14/18/823021418.db2.gz GJEJYDBTCGNAPD-VWLOTQADSA-N 1 2 395.315 4.035 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1c(Cl)ccc(Cl)c1Cl ZINC000175734220 823028969 /nfs/dbraw/zinc/02/89/69/823028969.db2.gz UKHQTNCNVJEEES-UHFFFAOYSA-N 1 2 384.694 4.441 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCCC[C@H]1CCc1ccccc1 ZINC000570369670 823030120 /nfs/dbraw/zinc/03/01/20/823030120.db2.gz GSQIUOIPUZUFFB-QHCPKHFHSA-N 1 2 387.527 4.488 20 0 GIADLO Cc1nc(CCCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cs1 ZINC000175759841 823033368 /nfs/dbraw/zinc/03/33/68/823033368.db2.gz OJLUCLGOYCLFHQ-ZDUSSCGKSA-N 1 2 378.567 4.101 20 0 GIADLO Cc1nc(CCCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cs1 ZINC000175759841 823033373 /nfs/dbraw/zinc/03/33/73/823033373.db2.gz OJLUCLGOYCLFHQ-ZDUSSCGKSA-N 1 2 378.567 4.101 20 0 GIADLO Cc1ccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c(C)n1 ZINC000187295633 823038795 /nfs/dbraw/zinc/03/87/95/823038795.db2.gz SMQYHDNSMAHBMV-UHFFFAOYSA-N 1 2 379.533 4.167 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)Cc1ccccc1F ZINC000175796007 823042131 /nfs/dbraw/zinc/04/21/31/823042131.db2.gz XCMGXJLSTUCJHW-GOSISDBHSA-N 1 2 398.526 4.100 20 0 GIADLO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccccc1 ZINC000187329676 823044409 /nfs/dbraw/zinc/04/44/09/823044409.db2.gz IBWIRCMQICNRRW-BLLLJJGKSA-N 1 2 395.272 4.328 20 0 GIADLO COC(=O)CC[C@H]([NH2+][C@H](C)c1ncc(Br)cc1F)c1ccccc1 ZINC000187329662 823044423 /nfs/dbraw/zinc/04/44/23/823044423.db2.gz IBWIRCMQICNRRW-WBMJQRKESA-N 1 2 395.272 4.328 20 0 GIADLO C[C@@H]1CCN(C(=O)c2occc2CSc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000123832391 823543988 /nfs/dbraw/zinc/54/39/88/823543988.db2.gz VESPSZBWBLAIIX-VQIMIIECSA-N 1 2 381.501 4.492 20 0 GIADLO CC(C)COc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000060610588 823547849 /nfs/dbraw/zinc/54/78/49/823547849.db2.gz SJVVSWJMUPKCTP-UHFFFAOYSA-N 1 2 396.535 4.106 20 0 GIADLO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000060677030 823552127 /nfs/dbraw/zinc/55/21/27/823552127.db2.gz XNCOHOSHAAIACK-UHFFFAOYSA-N 1 2 376.525 4.224 20 0 GIADLO CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000411169882 823553930 /nfs/dbraw/zinc/55/39/30/823553930.db2.gz FDPXHQOFDZWXRD-GOSISDBHSA-N 1 2 398.894 4.220 20 0 GIADLO CC[C@@H](C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)[NH+](CC)CC ZINC000460982045 823555491 /nfs/dbraw/zinc/55/54/91/823555491.db2.gz SDERVMHHURZJTF-IBGZPJMESA-N 1 2 377.492 4.198 20 0 GIADLO CC[N@H+](Cc1ccc(OC)cc1OC)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000411201368 823556849 /nfs/dbraw/zinc/55/68/49/823556849.db2.gz RDNGXXSCSVJKPV-CQSZACIVSA-N 1 2 376.884 4.206 20 0 GIADLO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000411201368 823556852 /nfs/dbraw/zinc/55/68/52/823556852.db2.gz RDNGXXSCSVJKPV-CQSZACIVSA-N 1 2 376.884 4.206 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)c(C)[nH+]1 ZINC000411207801 823557358 /nfs/dbraw/zinc/55/73/58/823557358.db2.gz GVGMHERATRXDPZ-LLVKDONJSA-N 1 2 394.302 4.172 20 0 GIADLO Cc1nn(-c2ccc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)c(C)c1Cl ZINC000123994269 823558360 /nfs/dbraw/zinc/55/83/60/823558360.db2.gz USKRHPQXMSZJTD-IFXJQAMLSA-N 1 2 397.910 4.062 20 0 GIADLO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cn2nc(-c3ccc(F)cc3)ccc2=O)c1 ZINC000124052817 823563436 /nfs/dbraw/zinc/56/34/36/823563436.db2.gz ZXUYIBUWGXIECN-JOCHJYFZSA-N 1 2 377.463 4.461 20 0 GIADLO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cn2nc(-c3ccc(F)cc3)ccc2=O)c1 ZINC000124052817 823563442 /nfs/dbraw/zinc/56/34/42/823563442.db2.gz ZXUYIBUWGXIECN-JOCHJYFZSA-N 1 2 377.463 4.461 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)CC[C@H](C)c3ccccc3)CCCC2)no1 ZINC000124066484 823564660 /nfs/dbraw/zinc/56/46/60/823564660.db2.gz JHXRPDPGIYNOEE-SFHVURJKSA-N 1 2 398.551 4.381 20 0 GIADLO Cc1sc2[nH]c(C[N@H+]3CCSC[C@H](C)C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000190429721 823572630 /nfs/dbraw/zinc/57/26/30/823572630.db2.gz NCZSRQDKVJWRQP-CQSZACIVSA-N 1 2 399.585 4.453 20 0 GIADLO Cc1sc2[nH]c(C[N@@H+]3CCSC[C@H](C)C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000190429721 823572634 /nfs/dbraw/zinc/57/26/34/823572634.db2.gz NCZSRQDKVJWRQP-CQSZACIVSA-N 1 2 399.585 4.453 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(C)c(OCCC(C)C)c2)c(C)[nH+]1 ZINC000411428882 823573149 /nfs/dbraw/zinc/57/31/49/823573149.db2.gz WGLHVKKIGXITBP-UHFFFAOYSA-N 1 2 383.492 4.317 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCSC[C@@H](C)C2)cs1)c1ccccc1F ZINC000190447674 823575582 /nfs/dbraw/zinc/57/55/82/823575582.db2.gz UDBKCYXBFZZQDO-ZDUSSCGKSA-N 1 2 379.526 4.152 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCSC[C@@H](C)C2)cs1)c1ccccc1F ZINC000190447674 823575583 /nfs/dbraw/zinc/57/55/83/823575583.db2.gz UDBKCYXBFZZQDO-ZDUSSCGKSA-N 1 2 379.526 4.152 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000190448366 823575805 /nfs/dbraw/zinc/57/58/05/823575805.db2.gz CWYNNDOAVPMHJW-CQSZACIVSA-N 1 2 380.895 4.421 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](CC)c1ccc(F)cc1F ZINC000190459847 823577577 /nfs/dbraw/zinc/57/75/77/823577577.db2.gz LFCWSDNJTIVTRZ-GOSISDBHSA-N 1 2 378.467 4.297 20 0 GIADLO CCS(=O)(=O)CCCCC[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000190464657 823578108 /nfs/dbraw/zinc/57/81/08/823578108.db2.gz YXZGAZHCTRWVEZ-AWEZNQCLSA-N 1 2 376.360 4.047 20 0 GIADLO CCS(=O)(=O)CCCCC[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000190464657 823578109 /nfs/dbraw/zinc/57/81/09/823578109.db2.gz YXZGAZHCTRWVEZ-AWEZNQCLSA-N 1 2 376.360 4.047 20 0 GIADLO COc1cc(C)[nH+]c(CN[C@H](c2ccccc2OC(F)F)C(F)(F)F)c1 ZINC000411481106 823579876 /nfs/dbraw/zinc/57/98/76/823579876.db2.gz ABUZOJVTLLFQLE-OAHLLOKOSA-N 1 2 376.325 4.393 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)s1 ZINC000190488782 823580494 /nfs/dbraw/zinc/58/04/94/823580494.db2.gz DLYFAZXXRGKELU-UHFFFAOYSA-N 1 2 375.391 4.048 20 0 GIADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)ccc1OCc1ccccc1 ZINC000190528860 823583770 /nfs/dbraw/zinc/58/37/70/823583770.db2.gz ICHCEGJSZMTGCK-HOTGVXAUSA-N 1 2 393.491 4.007 20 0 GIADLO CC(C)(CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000190573518 823587481 /nfs/dbraw/zinc/58/74/81/823587481.db2.gz KOHUFCOZIMSJIY-UHFFFAOYSA-N 1 2 394.441 4.226 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)c1C ZINC000411560235 823588041 /nfs/dbraw/zinc/58/80/41/823588041.db2.gz XFZNVKZSLSWHAM-IBGZPJMESA-N 1 2 381.520 4.447 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)c1C ZINC000411560235 823588044 /nfs/dbraw/zinc/58/80/44/823588044.db2.gz XFZNVKZSLSWHAM-IBGZPJMESA-N 1 2 381.520 4.447 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)c(C)[nH+]1 ZINC000411593984 823589765 /nfs/dbraw/zinc/58/97/65/823589765.db2.gz OJGTXGKCFSLRQI-WMZOPIPTSA-N 1 2 385.895 4.051 20 0 GIADLO O[C@@H]([C@H]1CCC[N@H+](Cc2cccc(Br)c2Cl)C1)C(F)(F)F ZINC000411634594 823592863 /nfs/dbraw/zinc/59/28/63/823592863.db2.gz LUFOYFUECOQDJK-GWCFXTLKSA-N 1 2 386.639 4.238 20 0 GIADLO O[C@@H]([C@H]1CCC[N@@H+](Cc2cccc(Br)c2Cl)C1)C(F)(F)F ZINC000411634594 823592867 /nfs/dbraw/zinc/59/28/67/823592867.db2.gz LUFOYFUECOQDJK-GWCFXTLKSA-N 1 2 386.639 4.238 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000190625422 823593053 /nfs/dbraw/zinc/59/30/53/823593053.db2.gz GMZQSNMCNIZLHF-UHFFFAOYSA-N 1 2 388.943 4.252 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000124416058 823594830 /nfs/dbraw/zinc/59/48/30/823594830.db2.gz YOGYQSZRDVQKKS-UHFFFAOYSA-N 1 2 391.512 4.438 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cccc(OCc3cccs3)c2)C[C@H]1n1cc[nH+]c1 ZINC000124425144 823595624 /nfs/dbraw/zinc/59/56/24/823595624.db2.gz AADWOOLNAKDTOX-OXQOHEQNSA-N 1 2 381.501 4.247 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)c1C ZINC000461210365 823599287 /nfs/dbraw/zinc/59/92/87/823599287.db2.gz PXTYWOPZRLGCML-UHFFFAOYSA-N 1 2 395.406 4.309 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cc(F)ccc3Cl)cc2)c1C ZINC000461213999 823599914 /nfs/dbraw/zinc/59/99/14/823599914.db2.gz WKVJJEOVSFZATK-UHFFFAOYSA-N 1 2 379.844 4.082 20 0 GIADLO Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000190722456 823602079 /nfs/dbraw/zinc/60/20/79/823602079.db2.gz KLEFIFXGFOPGBA-UHFFFAOYSA-N 1 2 379.370 4.101 20 0 GIADLO Oc1cccc2c1CC[C@H]2[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000411771058 823603902 /nfs/dbraw/zinc/60/39/02/823603902.db2.gz FEAPELMWKPWIGX-SNVBAGLBSA-N 1 2 390.174 4.488 20 0 GIADLO Cc1nc([C@](C)([NH2+]CCC(=O)Nc2ccccc2-c2ccccc2)C2CC2)no1 ZINC000411790523 823604975 /nfs/dbraw/zinc/60/49/75/823604975.db2.gz OUXRSNZQHSSSTB-HSZRJFAPSA-N 1 2 390.487 4.289 20 0 GIADLO CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000461336511 823619840 /nfs/dbraw/zinc/61/98/40/823619840.db2.gz XFTHOEBQDIBQAS-VDGAXYAQSA-N 1 2 376.422 4.159 20 0 GIADLO CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000461336511 823619841 /nfs/dbraw/zinc/61/98/41/823619841.db2.gz XFTHOEBQDIBQAS-VDGAXYAQSA-N 1 2 376.422 4.159 20 0 GIADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412003371 823620911 /nfs/dbraw/zinc/62/09/11/823620911.db2.gz XEVNCZSBQHDFTJ-YWZLYKJASA-N 1 2 386.442 4.146 20 0 GIADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412003371 823620914 /nfs/dbraw/zinc/62/09/14/823620914.db2.gz XEVNCZSBQHDFTJ-YWZLYKJASA-N 1 2 386.442 4.146 20 0 GIADLO CC[N@H+](Cc1occc1C)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000412029889 823623410 /nfs/dbraw/zinc/62/34/10/823623410.db2.gz VQHIEKHXVJOZJA-GOSISDBHSA-N 1 2 380.492 4.240 20 0 GIADLO CC[N@@H+](Cc1occc1C)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000412029889 823623414 /nfs/dbraw/zinc/62/34/14/823623414.db2.gz VQHIEKHXVJOZJA-GOSISDBHSA-N 1 2 380.492 4.240 20 0 GIADLO CNC(=O)C[N@H+](Cc1ccc(C(F)F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000461370768 823624522 /nfs/dbraw/zinc/62/45/22/823624522.db2.gz CAFRKERNVHXEAW-UHFFFAOYSA-N 1 2 386.364 4.391 20 0 GIADLO CNC(=O)NC1CC[NH+]([C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000412056488 823624563 /nfs/dbraw/zinc/62/45/63/823624563.db2.gz SXWANFDZFAHZPX-JTQLQIEISA-N 1 2 397.363 4.179 20 0 GIADLO CNC(=O)C[N@@H+](Cc1ccc(C(F)F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000461370768 823624524 /nfs/dbraw/zinc/62/45/24/823624524.db2.gz CAFRKERNVHXEAW-UHFFFAOYSA-N 1 2 386.364 4.391 20 0 GIADLO O=C(CCCc1cccnc1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000062370861 823630253 /nfs/dbraw/zinc/63/02/53/823630253.db2.gz KMGYOXIPDXGKPU-IBGZPJMESA-N 1 2 389.902 4.150 20 0 GIADLO CCc1nc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cs1 ZINC000190964987 823631592 /nfs/dbraw/zinc/63/15/92/823631592.db2.gz REGYSLWRJJOBQL-MFKMUULPSA-N 1 2 384.332 4.468 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(F)F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000412254074 823640120 /nfs/dbraw/zinc/64/01/20/823640120.db2.gz XUZMNGZFLHMEGY-XJKSGUPXSA-N 1 2 378.385 4.037 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)CC(F)F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000412254074 823640124 /nfs/dbraw/zinc/64/01/24/823640124.db2.gz XUZMNGZFLHMEGY-XJKSGUPXSA-N 1 2 378.385 4.037 20 0 GIADLO C[C@@H](S[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000062698118 823644757 /nfs/dbraw/zinc/64/47/57/823644757.db2.gz CDEBFHNTJIUDDK-CVEARBPZSA-N 1 2 389.952 4.267 20 0 GIADLO C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000191104614 823649781 /nfs/dbraw/zinc/64/97/81/823649781.db2.gz PGPANHMGIWJRSR-RKVPGOIHSA-N 1 2 394.441 4.298 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000063109426 823651659 /nfs/dbraw/zinc/65/16/59/823651659.db2.gz QQEZUWGKYMBFES-UHFFFAOYSA-N 1 2 396.809 4.250 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2[C@H](C)CC(O)C[C@@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000191149401 823653800 /nfs/dbraw/zinc/65/38/00/823653800.db2.gz IZMYBYYUMWLFAL-NYTJIUQPSA-N 1 2 387.549 4.178 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2[C@H](C)CC(O)C[C@@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000191149401 823653807 /nfs/dbraw/zinc/65/38/07/823653807.db2.gz IZMYBYYUMWLFAL-NYTJIUQPSA-N 1 2 387.549 4.178 20 0 GIADLO C[C@@H](c1nc(-c2ccc(N3CCCCC3)nc2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000191167619 823655588 /nfs/dbraw/zinc/65/55/88/823655588.db2.gz FOSCZKVUMXEIKR-KRWDZBQOSA-N 1 2 389.503 4.241 20 0 GIADLO C[C@@H](c1nc(-c2ccc(N3CCCCC3)nc2)no1)[N@H+]1CCc2ccccc2C1 ZINC000191167619 823655590 /nfs/dbraw/zinc/65/55/90/823655590.db2.gz FOSCZKVUMXEIKR-KRWDZBQOSA-N 1 2 389.503 4.241 20 0 GIADLO COc1cccc(Oc2ncccc2C[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000191181833 823657011 /nfs/dbraw/zinc/65/70/11/823657011.db2.gz BYVITQWMTJQNAL-UHFFFAOYSA-N 1 2 386.455 4.358 20 0 GIADLO CCCn1c(C)c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2cc(OC)ccc21 ZINC000125220795 823660075 /nfs/dbraw/zinc/66/00/75/823660075.db2.gz KVTPULRFMMRLPI-KKSFZXQISA-N 1 2 394.519 4.288 20 0 GIADLO O=C(C[N@@H+](CCC(F)(F)F)Cc1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000191236570 823662020 /nfs/dbraw/zinc/66/20/20/823662020.db2.gz KLEPAIVWGXHVSQ-GOSISDBHSA-N 1 2 392.421 4.081 20 0 GIADLO O=C(C[N@H+](CCC(F)(F)F)Cc1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000191236570 823662022 /nfs/dbraw/zinc/66/20/22/823662022.db2.gz KLEPAIVWGXHVSQ-GOSISDBHSA-N 1 2 392.421 4.081 20 0 GIADLO O=C(CCSc1ccc2c(c1)OCCCO2)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000125249018 823662328 /nfs/dbraw/zinc/66/23/28/823662328.db2.gz LUPUUGCYMSITHE-UHFFFAOYSA-N 1 2 395.484 4.155 20 0 GIADLO CCC(=O)c1ccc(OCCCCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000125322109 823667720 /nfs/dbraw/zinc/66/77/20/823667720.db2.gz JSBANOGKMLEESY-RXVVDRJESA-N 1 2 397.519 4.135 20 0 GIADLO CCC(=O)c1ccc(OCCCCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000125321863 823667746 /nfs/dbraw/zinc/66/77/46/823667746.db2.gz JSBANOGKMLEESY-WIYYLYMNSA-N 1 2 397.519 4.135 20 0 GIADLO Cc1cc(C(N)=[NH+]OCc2cccc(C(=O)Nc3ccccc3)c2)ccc1F ZINC000063457591 823672605 /nfs/dbraw/zinc/67/26/05/823672605.db2.gz HIKQXBIFDZKRIO-UHFFFAOYSA-N 1 2 377.419 4.224 20 0 GIADLO CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)Cc1ccccn1 ZINC000125398898 823673123 /nfs/dbraw/zinc/67/31/23/823673123.db2.gz IZTTWEKPCMSKDD-NRFANRHFSA-N 1 2 383.492 4.010 20 0 GIADLO CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)Cc1ccccn1 ZINC000125398898 823673125 /nfs/dbraw/zinc/67/31/25/823673125.db2.gz IZTTWEKPCMSKDD-NRFANRHFSA-N 1 2 383.492 4.010 20 0 GIADLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(Br)c1OC ZINC000125410739 823674122 /nfs/dbraw/zinc/67/41/22/823674122.db2.gz JFHVIPIVMPUSDB-OAHLLOKOSA-N 1 2 377.282 4.198 20 0 GIADLO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c(Br)c1OC ZINC000125410739 823674123 /nfs/dbraw/zinc/67/41/23/823674123.db2.gz JFHVIPIVMPUSDB-OAHLLOKOSA-N 1 2 377.282 4.198 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](c3ccccc3)C3(CCC3)C1)C2 ZINC000412684012 823674854 /nfs/dbraw/zinc/67/48/54/823674854.db2.gz XSPGNHUTXPNNIF-RTBURBONSA-N 1 2 377.532 4.434 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](c3ccccc3)C3(CCC3)C1)CC2 ZINC000412684012 823674856 /nfs/dbraw/zinc/67/48/56/823674856.db2.gz XSPGNHUTXPNNIF-RTBURBONSA-N 1 2 377.532 4.434 20 0 GIADLO C[C@H]1CCN(C(=O)c2cccnc2Sc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000125518174 823682235 /nfs/dbraw/zinc/68/22/35/823682235.db2.gz APOVRKREMUGEKP-QFBILLFUSA-N 1 2 378.501 4.153 20 0 GIADLO CC(C)OCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000063683843 823689287 /nfs/dbraw/zinc/68/92/87/823689287.db2.gz XAOQOQQWVCESDZ-UHFFFAOYSA-N 1 2 392.952 4.138 20 0 GIADLO CN(CCCCCc1cc(-c2cccc(F)c2)no1)c1[nH+]cnc2c1cnn2C ZINC000063740031 823692945 /nfs/dbraw/zinc/69/29/45/823692945.db2.gz RHOMTOPDPKSDLH-UHFFFAOYSA-N 1 2 394.454 4.007 20 0 GIADLO O=C(CCOc1ccc2ccccc2c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000125661212 823694455 /nfs/dbraw/zinc/69/44/55/823694455.db2.gz KPHNLZAAXXLHNK-UHFFFAOYSA-N 1 2 385.467 4.170 20 0 GIADLO CSC1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000191519094 823694776 /nfs/dbraw/zinc/69/47/76/823694776.db2.gz PMHJGFPYNTWYTQ-UHFFFAOYSA-N 1 2 377.513 4.110 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1nc(-c2cccc(F)c2)no1 ZINC000191531829 823696319 /nfs/dbraw/zinc/69/63/19/823696319.db2.gz BFKGTTKIMGPZIG-CYBMUJFWSA-N 1 2 383.423 4.372 20 0 GIADLO CC1(C)C[C@H](Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)CCO1 ZINC000412979230 823696357 /nfs/dbraw/zinc/69/63/57/823696357.db2.gz CMHJNSSIOZFHSX-GOSISDBHSA-N 1 2 386.565 4.303 20 0 GIADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000191532815 823696539 /nfs/dbraw/zinc/69/65/39/823696539.db2.gz HZQJCFCGGQOHCN-AWEZNQCLSA-N 1 2 377.423 4.425 20 0 GIADLO COc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000191533342 823696709 /nfs/dbraw/zinc/69/67/09/823696709.db2.gz ZEOBEBYJCYMQJT-CYBMUJFWSA-N 1 2 393.422 4.125 20 0 GIADLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1nc(=O)c3c(C)c(C)sc3[nH]1)CCC2 ZINC000163325466 823701730 /nfs/dbraw/zinc/70/17/30/823701730.db2.gz DDJZVQCBXKGWDE-ZDUSSCGKSA-N 1 2 388.562 4.130 20 0 GIADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1nc(=O)c3c(C)c(C)sc3[nH]1)CCC2 ZINC000163325466 823701733 /nfs/dbraw/zinc/70/17/33/823701733.db2.gz DDJZVQCBXKGWDE-ZDUSSCGKSA-N 1 2 388.562 4.130 20 0 GIADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc3ccccc3nc2N2CCCCC2)n1 ZINC000574320181 823702130 /nfs/dbraw/zinc/70/21/30/823702130.db2.gz KPAHVEUVUSBCRD-FQEVSTJZSA-N 1 2 377.492 4.254 20 0 GIADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc3ccccc3nc2N2CCCCC2)n1 ZINC000574320181 823702131 /nfs/dbraw/zinc/70/21/31/823702131.db2.gz KPAHVEUVUSBCRD-FQEVSTJZSA-N 1 2 377.492 4.254 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3cccc(Cl)c3F)CC2)n1 ZINC000191578515 823703429 /nfs/dbraw/zinc/70/34/29/823703429.db2.gz WNRNGIXXVLLJBS-UHFFFAOYSA-N 1 2 382.888 4.492 20 0 GIADLO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000191581440 823703982 /nfs/dbraw/zinc/70/39/82/823703982.db2.gz CGLXGZQFHKONSR-AWEZNQCLSA-N 1 2 381.480 4.367 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125755971 823704907 /nfs/dbraw/zinc/70/49/07/823704907.db2.gz CAKGVURHKBJDJI-DRRHNWJESA-N 1 2 378.303 4.403 20 0 GIADLO CN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000413124433 823711259 /nfs/dbraw/zinc/71/12/59/823711259.db2.gz ORDCFNKRFPRALI-LEWJYISDSA-N 1 2 380.536 4.130 20 0 GIADLO C[N@H+](Cc1cc(-c2cccs2)on1)[C@H](CO)c1cccc(Br)c1 ZINC000125802941 823714765 /nfs/dbraw/zinc/71/47/65/823714765.db2.gz PLOZPFDYHQKYGA-OAHLLOKOSA-N 1 2 393.306 4.331 20 0 GIADLO C[N@@H+](Cc1cc(-c2cccs2)on1)[C@H](CO)c1cccc(Br)c1 ZINC000125802941 823714767 /nfs/dbraw/zinc/71/47/67/823714767.db2.gz PLOZPFDYHQKYGA-OAHLLOKOSA-N 1 2 393.306 4.331 20 0 GIADLO COc1cc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)ccc1OCC(F)(F)F ZINC000125806175 823715865 /nfs/dbraw/zinc/71/58/65/823715865.db2.gz FKGNUSMEILLGTL-SFHVURJKSA-N 1 2 391.393 4.239 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3cccc(Cl)c3Cl)[nH+]cn2)C1 ZINC000413155850 823717147 /nfs/dbraw/zinc/71/71/47/823717147.db2.gz NCYDFDPSOVWJNM-AVGNSLFASA-N 1 2 381.307 4.164 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3cccc(Cl)c3Cl)nc[nH+]2)C1 ZINC000413155850 823717154 /nfs/dbraw/zinc/71/71/54/823717154.db2.gz NCYDFDPSOVWJNM-AVGNSLFASA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3cccc(Cl)c3Cl)[nH+]cn2)C1 ZINC000413155854 823717281 /nfs/dbraw/zinc/71/72/81/823717281.db2.gz NCYDFDPSOVWJNM-XQQFMLRXSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3cccc(Cl)c3Cl)nc[nH+]2)C1 ZINC000413155854 823717287 /nfs/dbraw/zinc/71/72/87/823717287.db2.gz NCYDFDPSOVWJNM-XQQFMLRXSA-N 1 2 381.307 4.164 20 0 GIADLO O=C(Nc1c(F)cc(F)cc1F)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000125819494 823718653 /nfs/dbraw/zinc/71/86/53/823718653.db2.gz OPGUTAJKORBNST-MSOLQXFVSA-N 1 2 386.377 4.351 20 0 GIADLO C[C@H]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000125819833 823719589 /nfs/dbraw/zinc/71/95/89/823719589.db2.gz UWRMQICXLILLKL-MAUKXSAKSA-N 1 2 398.894 4.234 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000574414161 823723263 /nfs/dbraw/zinc/72/32/63/823723263.db2.gz NPNYCLPEQXWNSK-XWIAVFTESA-N 1 2 379.426 4.402 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000574414161 823723268 /nfs/dbraw/zinc/72/32/68/823723268.db2.gz NPNYCLPEQXWNSK-XWIAVFTESA-N 1 2 379.426 4.402 20 0 GIADLO COc1ccc([C@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1F ZINC000163607922 823727546 /nfs/dbraw/zinc/72/75/46/823727546.db2.gz WCYRCOCWYDGXLZ-GJZGRUSLSA-N 1 2 391.512 4.045 20 0 GIADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000574447509 823733267 /nfs/dbraw/zinc/73/32/67/823733267.db2.gz KTYIPBOXLSVOOL-KZNAEPCWSA-N 1 2 381.501 4.030 20 0 GIADLO COc1cccc(F)c1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000461894538 823742298 /nfs/dbraw/zinc/74/22/98/823742298.db2.gz KWQDAUBOFGWOHW-INIZCTEOSA-N 1 2 394.849 4.194 20 0 GIADLO CCCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000125921830 823744923 /nfs/dbraw/zinc/74/49/23/823744923.db2.gz WBOPIWHPKMPKBY-MRXNPFEDSA-N 1 2 391.533 4.081 20 0 GIADLO CCCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000125921830 823744928 /nfs/dbraw/zinc/74/49/28/823744928.db2.gz WBOPIWHPKMPKBY-MRXNPFEDSA-N 1 2 391.533 4.081 20 0 GIADLO Cc1ccc(-c2nc(C[NH2+][C@@H]3CCN(Cc4ccc(F)cc4)C3=O)cs2)cc1 ZINC000191763025 823759899 /nfs/dbraw/zinc/75/98/99/823759899.db2.gz PPFTUEYIJLXKAM-HXUWFJFHSA-N 1 2 395.503 4.148 20 0 GIADLO COCCC[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000574540991 823760002 /nfs/dbraw/zinc/76/00/02/823760002.db2.gz IQPOGDQIVAFHPC-IBGZPJMESA-N 1 2 397.906 4.466 20 0 GIADLO C[C@@H]1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000126002987 823764041 /nfs/dbraw/zinc/76/40/41/823764041.db2.gz LDESNCIWQOVPID-RHSMWYFYSA-N 1 2 377.410 4.043 20 0 GIADLO Cn1c2ccccc2nc1[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000126008636 823765257 /nfs/dbraw/zinc/76/52/57/823765257.db2.gz UITPWTKHIFZIOK-QFIPXVFZSA-N 1 2 388.446 4.030 20 0 GIADLO Cc1nc2ccccn2c1C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126065608 823779044 /nfs/dbraw/zinc/77/90/44/823779044.db2.gz HWWLWAFZLJNLJX-HSZRJFAPSA-N 1 2 381.483 4.409 20 0 GIADLO CCc1ccccc1NC(=O)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126077862 823781376 /nfs/dbraw/zinc/78/13/76/823781376.db2.gz PSUATNQRPFZBTK-XMMPIXPASA-N 1 2 398.510 4.453 20 0 GIADLO COCC[N@H+](Cc1sccc1Br)Cc1ccc2c[nH]nc2c1 ZINC000191823064 823783280 /nfs/dbraw/zinc/78/32/80/823783280.db2.gz RLBBEVKBGRLRHU-UHFFFAOYSA-N 1 2 380.311 4.036 20 0 GIADLO COCC[N@@H+](Cc1sccc1Br)Cc1ccc2c[nH]nc2c1 ZINC000191823064 823783282 /nfs/dbraw/zinc/78/32/82/823783282.db2.gz RLBBEVKBGRLRHU-UHFFFAOYSA-N 1 2 380.311 4.036 20 0 GIADLO COc1ccccc1[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)N1CCCCC1 ZINC000126091515 823784786 /nfs/dbraw/zinc/78/47/86/823784786.db2.gz KZPGRUYDURWZHF-GGAORHGYSA-N 1 2 390.531 4.325 20 0 GIADLO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000191826675 823786013 /nfs/dbraw/zinc/78/60/13/823786013.db2.gz YCDAKAAUFZGGPU-CQSZACIVSA-N 1 2 385.851 4.192 20 0 GIADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)c2nnnn2C2CC2)cc1 ZINC000191828558 823787212 /nfs/dbraw/zinc/78/72/12/823787212.db2.gz ZTJURGHPKRIJPC-KRWDZBQOSA-N 1 2 399.502 4.020 20 0 GIADLO CCN(C(=O)c1ccc(C)c(C)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000413497688 823787415 /nfs/dbraw/zinc/78/74/15/823787415.db2.gz LSIVWPZHCVFYMH-UHFFFAOYSA-N 1 2 395.551 4.051 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000126101430 823787588 /nfs/dbraw/zinc/78/75/88/823787588.db2.gz AOWZYHALQGGEPT-UZUQRXQVSA-N 1 2 397.482 4.217 20 0 GIADLO Cc1ccc(-c2nc(C(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)cs2)o1 ZINC000126105981 823789338 /nfs/dbraw/zinc/78/93/38/823789338.db2.gz PBUXFUCYJZXNRS-UHFFFAOYSA-N 1 2 397.500 4.104 20 0 GIADLO CC[C@H](C)n1ncc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1C1CC1 ZINC000126109568 823790201 /nfs/dbraw/zinc/79/02/01/823790201.db2.gz PANVCKPBISZIKQ-KRWDZBQOSA-N 1 2 396.535 4.124 20 0 GIADLO CCCOc1cccc2c(NC[C@@H]3CCO[C@H]3c3cnn(CC)c3)cc[nH+]c12 ZINC000413518696 823790771 /nfs/dbraw/zinc/79/07/71/823790771.db2.gz RBHBJEAMQVEPOI-KSFYIVLOSA-N 1 2 380.492 4.430 20 0 GIADLO CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000462003146 823791196 /nfs/dbraw/zinc/79/11/96/823791196.db2.gz JHMPHKSNWNKRSL-QHCPKHFHSA-N 1 2 390.531 4.484 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC=C(c4ccncc4)C3)n2)C1 ZINC000574659108 823793440 /nfs/dbraw/zinc/79/34/40/823793440.db2.gz HNQVNICXQYQXFH-INIZCTEOSA-N 1 2 397.548 4.091 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC=C(c4ccncc4)C3)n2)C1 ZINC000574659108 823793446 /nfs/dbraw/zinc/79/34/46/823793446.db2.gz HNQVNICXQYQXFH-INIZCTEOSA-N 1 2 397.548 4.091 20 0 GIADLO COc1cc(OC)cc(C2(F)CC[NH+](Cc3csc(C4CC4)n3)CC2)c1 ZINC000574663856 823794530 /nfs/dbraw/zinc/79/45/30/823794530.db2.gz VAMUYDPOJNMHNM-UHFFFAOYSA-N 1 2 376.497 4.499 20 0 GIADLO CCc1cnccc1[C@H](C)[NH2+]Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000574668813 823795212 /nfs/dbraw/zinc/79/52/12/823795212.db2.gz GSYGTZXJHZCASP-OLZOCXBDSA-N 1 2 381.549 4.207 20 0 GIADLO COc1cc(C[NH2+]Cc2ncccc2F)cc(OC)c1OCc1ccccc1 ZINC000126151886 823800297 /nfs/dbraw/zinc/80/02/97/823800297.db2.gz MHGHNEDDZJVZFI-UHFFFAOYSA-N 1 2 382.435 4.107 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(F)cc2Br)c(OC)c1 ZINC000164406247 823800965 /nfs/dbraw/zinc/80/09/65/823800965.db2.gz HOWAYAZZVIGIKS-LLVKDONJSA-N 1 2 398.272 4.465 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000191904241 823808437 /nfs/dbraw/zinc/80/84/37/823808437.db2.gz UZVXLBFDXTVWBK-UHFFFAOYSA-N 1 2 382.430 4.494 20 0 GIADLO CCc1cccc2c(C(=O)[C@@H]([NH2+]CC(=O)N(CC)CC)c3ccccc3)c[nH]c21 ZINC000064403790 823812205 /nfs/dbraw/zinc/81/22/05/823812205.db2.gz GHMLQYVXGONPAK-QHCPKHFHSA-N 1 2 391.515 4.112 20 0 GIADLO O=C(Nc1ccccc1CCC(F)(F)F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000126243117 823819135 /nfs/dbraw/zinc/81/91/35/823819135.db2.gz OABWUYVJYPJRES-UHFFFAOYSA-N 1 2 392.425 4.367 20 0 GIADLO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000064441038 823819413 /nfs/dbraw/zinc/81/94/13/823819413.db2.gz FBBGLYIBKCJGGP-LJQANCHMSA-N 1 2 396.560 4.397 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C[C@H]2CCOC2)C2CC2)cs1)c1cccc(C)c1C ZINC000164813676 823821349 /nfs/dbraw/zinc/82/13/49/823821349.db2.gz REGXVPMWGNBJHP-GOSISDBHSA-N 1 2 399.560 4.445 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cs1)c1cccc(C)c1C ZINC000164813676 823821352 /nfs/dbraw/zinc/82/13/52/823821352.db2.gz REGXVPMWGNBJHP-GOSISDBHSA-N 1 2 399.560 4.445 20 0 GIADLO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000064481107 823828080 /nfs/dbraw/zinc/82/80/80/823828080.db2.gz ZREDJJNKYCZOES-UHFFFAOYSA-N 1 2 381.278 4.481 20 0 GIADLO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000064481107 823828089 /nfs/dbraw/zinc/82/80/89/823828089.db2.gz ZREDJJNKYCZOES-UHFFFAOYSA-N 1 2 381.278 4.481 20 0 GIADLO Cc1ccc(NC(=O)C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c(C)c1 ZINC000165114032 823834649 /nfs/dbraw/zinc/83/46/49/823834649.db2.gz QSRSZUJLCNBQEY-HSZRJFAPSA-N 1 2 387.483 4.212 20 0 GIADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2-c2ccnn2C)o1 ZINC000574829477 823835771 /nfs/dbraw/zinc/83/57/71/823835771.db2.gz BMQCIKVNDIQYHW-JOCHJYFZSA-N 1 2 385.471 4.078 20 0 GIADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2-c2ccnn2C)o1 ZINC000574829477 823835773 /nfs/dbraw/zinc/83/57/73/823835773.db2.gz BMQCIKVNDIQYHW-JOCHJYFZSA-N 1 2 385.471 4.078 20 0 GIADLO Cc1csc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1Br ZINC000192026715 823836576 /nfs/dbraw/zinc/83/65/76/823836576.db2.gz WPKLWNCOFYZLDR-LLVKDONJSA-N 1 2 399.379 4.057 20 0 GIADLO Cc1csc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1Br ZINC000192026715 823836587 /nfs/dbraw/zinc/83/65/87/823836587.db2.gz WPKLWNCOFYZLDR-LLVKDONJSA-N 1 2 399.379 4.057 20 0 GIADLO O=C(c1ccccc1)C1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000064556008 823843484 /nfs/dbraw/zinc/84/34/84/823843484.db2.gz DRPPLJOEVAKGPV-UHFFFAOYSA-N 1 2 385.511 4.456 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCSc1ccccc1F ZINC000126354547 823847330 /nfs/dbraw/zinc/84/73/30/823847330.db2.gz VXOIONUFKKBZHO-UHFFFAOYSA-N 1 2 388.508 4.087 20 0 GIADLO O=C(NCCNc1cccc[nH+]1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000064565153 823847806 /nfs/dbraw/zinc/84/78/06/823847806.db2.gz WMMQGFNUHIVUQH-UHFFFAOYSA-N 1 2 383.839 4.156 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000064564823 823847857 /nfs/dbraw/zinc/84/78/57/823847857.db2.gz VLJCWXCNLYKHOY-UHFFFAOYSA-N 1 2 385.855 4.326 20 0 GIADLO Cc1c2ccccc2[nH+]c(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C(=O)[O-] ZINC000574881789 823850316 /nfs/dbraw/zinc/85/03/16/823850316.db2.gz XQBWESDAMGBVJO-SFHVURJKSA-N 1 2 381.520 4.190 20 0 GIADLO Cc1onc(C2CC2)c1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000574898209 823855518 /nfs/dbraw/zinc/85/55/18/823855518.db2.gz NGBIZAHLFJPUAG-PXNSSMCTSA-N 1 2 389.446 4.092 20 0 GIADLO Cc1onc(C2CC2)c1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000574898209 823855522 /nfs/dbraw/zinc/85/55/22/823855522.db2.gz NGBIZAHLFJPUAG-PXNSSMCTSA-N 1 2 389.446 4.092 20 0 GIADLO COc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1-c1ccccn1 ZINC000165636411 823856330 /nfs/dbraw/zinc/85/63/30/823856330.db2.gz ICVCUZYVDDJSIU-UHFFFAOYSA-N 1 2 388.402 4.334 20 0 GIADLO COc1cc(C2(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)CCCC2)ccc1C ZINC000126410186 823859902 /nfs/dbraw/zinc/85/99/02/823859902.db2.gz AXGTYTGNLRLTBC-FXAWDEMLSA-N 1 2 381.520 4.122 20 0 GIADLO Fc1cc([C@@H]2OCC[C@@H]2[NH2+]Cc2nc(Cc3ccccc3)no2)ccc1Cl ZINC000192104512 823860940 /nfs/dbraw/zinc/86/09/40/823860940.db2.gz ISDQUDGCNMFGNX-PXNSSMCTSA-N 1 2 387.842 4.073 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C[C@H](C)O)C(C)C)cs1)c1ccc(C)cc1C ZINC000165732829 823861403 /nfs/dbraw/zinc/86/14/03/823861403.db2.gz OXUHALLPQOGGBB-INIZCTEOSA-N 1 2 375.538 4.036 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C[C@H](C)O)C(C)C)cs1)c1ccc(C)cc1C ZINC000165732829 823861408 /nfs/dbraw/zinc/86/14/08/823861408.db2.gz OXUHALLPQOGGBB-INIZCTEOSA-N 1 2 375.538 4.036 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000574934482 823864212 /nfs/dbraw/zinc/86/42/12/823864212.db2.gz SAODTIYQSNBUIM-KRWDZBQOSA-N 1 2 396.413 4.012 20 0 GIADLO CCS[C@@H](C)c1noc(C[NH+]2CCC(Cc3ccccc3OC)CC2)n1 ZINC000126435342 823866372 /nfs/dbraw/zinc/86/63/72/823866372.db2.gz HUCBVEOWPSOLIK-HNNXBMFYSA-N 1 2 375.538 4.347 20 0 GIADLO CC[NH+](CC)[C@@H](c1nc(Cc2ccon2)no1)c1cccc(C(F)(F)F)c1 ZINC000574942692 823866541 /nfs/dbraw/zinc/86/65/41/823866541.db2.gz GROYPGHMLPJTIL-MRXNPFEDSA-N 1 2 380.370 4.098 20 0 GIADLO C[C@H]1C[C@H]1C(=O)Nc1cccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000574948761 823869089 /nfs/dbraw/zinc/86/90/89/823869089.db2.gz QEWYLWOZGKUUPT-IFXJQAMLSA-N 1 2 385.427 4.184 20 0 GIADLO C[C@@H]1C[C@]2(CCO1)C[N@@H+]([C@@H](C(=O)Nc1ccccc1)c1ccccc1)C[C@H](C)O2 ZINC000574953433 823870121 /nfs/dbraw/zinc/87/01/21/823870121.db2.gz QYPLMHBSSDHAHL-OMXLDXBASA-N 1 2 394.515 4.025 20 0 GIADLO C[C@@H]1C[C@]2(CCO1)C[N@H+]([C@@H](C(=O)Nc1ccccc1)c1ccccc1)C[C@H](C)O2 ZINC000574953433 823870127 /nfs/dbraw/zinc/87/01/27/823870127.db2.gz QYPLMHBSSDHAHL-OMXLDXBASA-N 1 2 394.515 4.025 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cs1 ZINC000166732362 823882023 /nfs/dbraw/zinc/88/20/23/823882023.db2.gz SOISQJUSWXZGDR-WIYYLYMNSA-N 1 2 399.560 4.391 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cs1 ZINC000166732362 823882027 /nfs/dbraw/zinc/88/20/27/823882027.db2.gz SOISQJUSWXZGDR-WIYYLYMNSA-N 1 2 399.560 4.391 20 0 GIADLO COc1cccc([C@@H]([NH2+]CC(=O)N2CCC(C)CC2)c2ccccc2Cl)c1 ZINC000462240054 823890813 /nfs/dbraw/zinc/89/08/13/823890813.db2.gz UJUPCXOKVSHTMP-JOCHJYFZSA-N 1 2 386.923 4.286 20 0 GIADLO COc1cccc([C@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)c2ccccc2Cl)c1 ZINC000462241155 823891767 /nfs/dbraw/zinc/89/17/67/823891767.db2.gz YPHOFENJJXIGSR-AOMKIAJQSA-N 1 2 386.923 4.286 20 0 GIADLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ncc(-c3cccs3)o2)cc1 ZINC000575030167 823893845 /nfs/dbraw/zinc/89/38/45/823893845.db2.gz BNYDOIWWHLSWPS-CYBMUJFWSA-N 1 2 376.503 4.048 20 0 GIADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccncc1F ZINC000126550958 823896390 /nfs/dbraw/zinc/89/63/90/823896390.db2.gz BMHPBHOMDRRAQW-UHFFFAOYSA-N 1 2 386.430 4.063 20 0 GIADLO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1OC ZINC000414064883 823899050 /nfs/dbraw/zinc/89/90/50/823899050.db2.gz GJTNYGZWHNMXLB-QWHCGFSZSA-N 1 2 378.494 4.139 20 0 GIADLO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1Cl ZINC000168021784 823899548 /nfs/dbraw/zinc/89/95/48/823899548.db2.gz DAPWTKRZHUIBHY-SWLSCSKDSA-N 1 2 378.904 4.258 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)s1 ZINC000414068901 823900459 /nfs/dbraw/zinc/90/04/59/823900459.db2.gz IVJVEKJFOGYFHR-AWEZNQCLSA-N 1 2 394.496 4.382 20 0 GIADLO Cc1c([C@@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)nnn1-c1ccc(F)cc1 ZINC000168615879 823905259 /nfs/dbraw/zinc/90/52/59/823905259.db2.gz WYZHQNJBGFAWKL-CYBMUJFWSA-N 1 2 390.409 4.475 20 0 GIADLO CC(=O)N(c1nc(CNc2ccc([N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)cs1)C1CC1 ZINC000192214572 823905399 /nfs/dbraw/zinc/90/53/99/823905399.db2.gz SBWXMQOBLPYRSX-MGPUTAFESA-N 1 2 382.533 4.259 20 0 GIADLO CC(=O)N(c1nc(CNc2ccc([N@H+]3C[C@H]4CC[C@@H]3C4)cc2)cs1)C1CC1 ZINC000192214572 823905407 /nfs/dbraw/zinc/90/54/07/823905407.db2.gz SBWXMQOBLPYRSX-MGPUTAFESA-N 1 2 382.533 4.259 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC3CCCC3)c2)s1 ZINC000414085051 823905688 /nfs/dbraw/zinc/90/56/88/823905688.db2.gz XVWUMFWLAONVHB-CYBMUJFWSA-N 1 2 390.505 4.111 20 0 GIADLO O=C(NCc1ccc(C2CC2)cc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000192215881 823905771 /nfs/dbraw/zinc/90/57/71/823905771.db2.gz AKNXHTWZIOGOMZ-UHFFFAOYSA-N 1 2 376.460 4.161 20 0 GIADLO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2csc(-c3ccccc3)n2)C1=O ZINC000414087730 823906447 /nfs/dbraw/zinc/90/64/47/823906447.db2.gz IPEAJYXURKXCTM-NVXWUHKLSA-N 1 2 393.512 4.275 20 0 GIADLO c1cc(-c2ccccc2)oc1CN(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000575095726 823911336 /nfs/dbraw/zinc/91/13/36/823911336.db2.gz SCSZCCQUIFXDDS-UHFFFAOYSA-N 1 2 391.515 4.066 20 0 GIADLO Cc1ccn(-c2ccccc2NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1 ZINC000462285216 823912149 /nfs/dbraw/zinc/91/21/49/823912149.db2.gz GNHCLKFXJYOTCC-QGZVFWFLSA-N 1 2 395.532 4.153 20 0 GIADLO C[C@H](c1ccccc1Cl)[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000064960887 823918612 /nfs/dbraw/zinc/91/86/12/823918612.db2.gz JPIPFJLMLPCPRP-OAHLLOKOSA-N 1 2 381.925 4.205 20 0 GIADLO C[C@H](c1ccccc1Cl)[N@@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000064960887 823918619 /nfs/dbraw/zinc/91/86/19/823918619.db2.gz JPIPFJLMLPCPRP-OAHLLOKOSA-N 1 2 381.925 4.205 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(-c2csc(C)n2)c1 ZINC000192256418 823919139 /nfs/dbraw/zinc/91/91/39/823919139.db2.gz VNPGWQKMCJGNCQ-UHFFFAOYSA-N 1 2 382.533 4.430 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000192259155 823920213 /nfs/dbraw/zinc/92/02/13/823920213.db2.gz UTQZXNTXIROPCS-GJZGRUSLSA-N 1 2 377.891 4.280 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000192260291 823920460 /nfs/dbraw/zinc/92/04/60/823920460.db2.gz VIUSBCMICLGIKH-UHFFFAOYSA-N 1 2 386.496 4.261 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Br)cn1C(C)C ZINC000192261277 823921115 /nfs/dbraw/zinc/92/11/15/823921115.db2.gz AYTGOXRPJQNRQN-UHFFFAOYSA-N 1 2 395.345 4.143 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000126671545 823923605 /nfs/dbraw/zinc/92/36/05/823923605.db2.gz JYMQILLMNFKMDV-MRXNPFEDSA-N 1 2 399.564 4.476 20 0 GIADLO CC(C)CCc1nc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cs1 ZINC000065041299 823929433 /nfs/dbraw/zinc/92/94/33/823929433.db2.gz IMSCMCQSDPOLAV-UHFFFAOYSA-N 1 2 377.579 4.188 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cnc(-c2ccccc2)s1 ZINC000126700673 823930631 /nfs/dbraw/zinc/93/06/31/823930631.db2.gz VJGVGQMMMSTEBG-UHFFFAOYSA-N 1 2 378.501 4.125 20 0 GIADLO CC[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccccc1Br ZINC000414253404 823942128 /nfs/dbraw/zinc/94/21/28/823942128.db2.gz ZGHWJJGYYONPFH-INIZCTEOSA-N 1 2 382.323 4.094 20 0 GIADLO FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CC2 ZINC000414257526 823943426 /nfs/dbraw/zinc/94/34/26/823943426.db2.gz OYHSLWGJZKJZJD-LBPRGKRZSA-N 1 2 377.288 4.171 20 0 GIADLO CC(C)(C)C[C@H]([NH2+]Cc1nc2ncccn2n1)c1ccc(Br)cc1 ZINC000414261437 823944764 /nfs/dbraw/zinc/94/47/64/823944764.db2.gz BUROXGZWBDOKPR-HNNXBMFYSA-N 1 2 388.313 4.154 20 0 GIADLO Cc1cc(Br)cc2c1[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CC2 ZINC000414264832 823945598 /nfs/dbraw/zinc/94/55/98/823945598.db2.gz UQIVEIKVJOKJEO-LBPRGKRZSA-N 1 2 386.215 4.343 20 0 GIADLO CC(C)c1c(NC(=O)NCCCNc2cccc[nH+]2)cnn1-c1ccccc1 ZINC000192328988 823947428 /nfs/dbraw/zinc/94/74/28/823947428.db2.gz MHYNTJVFJFRJHK-UHFFFAOYSA-N 1 2 378.480 4.014 20 0 GIADLO Cc1ccc(Cc2cnc(NC(=O)N3CCC(n4cc[nH+]c4)CC3)s2)cc1F ZINC000170707714 823948659 /nfs/dbraw/zinc/94/86/59/823948659.db2.gz PQFIEPSHSNLIMG-UHFFFAOYSA-N 1 2 399.495 4.247 20 0 GIADLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc4cnccc43)c2C1 ZINC000462381840 823952184 /nfs/dbraw/zinc/95/21/84/823952184.db2.gz ZETOEBMUTMUZOR-INIZCTEOSA-N 1 2 395.528 4.396 20 0 GIADLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc4cnccc43)c2C1 ZINC000462381840 823952187 /nfs/dbraw/zinc/95/21/87/823952187.db2.gz ZETOEBMUTMUZOR-INIZCTEOSA-N 1 2 395.528 4.396 20 0 GIADLO CCc1ncc(C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)CC)cn1 ZINC000414366832 823966390 /nfs/dbraw/zinc/96/63/90/823966390.db2.gz CIBCYHBMBHCRJR-AWEZNQCLSA-N 1 2 394.441 4.297 20 0 GIADLO CCc1ncc(C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)CC)cn1 ZINC000414366832 823966395 /nfs/dbraw/zinc/96/63/95/823966395.db2.gz CIBCYHBMBHCRJR-AWEZNQCLSA-N 1 2 394.441 4.297 20 0 GIADLO Cc1c[nH+]c(CCSc2nnc(COc3ccccc3Cl)n2C)c(C)c1 ZINC000575400285 823966913 /nfs/dbraw/zinc/96/69/13/823966913.db2.gz XMAGMKIEFPFPCG-UHFFFAOYSA-N 1 2 388.924 4.394 20 0 GIADLO Cc1cccn2cc(CC(=O)Nc3cccc(Cl)c3OCC(F)F)[nH+]c12 ZINC000575540792 823975625 /nfs/dbraw/zinc/97/56/25/823975625.db2.gz ZWYDINUGVXPDNO-UHFFFAOYSA-N 1 2 379.794 4.121 20 0 GIADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)s1 ZINC000414416743 823977615 /nfs/dbraw/zinc/97/76/15/823977615.db2.gz WOIYKFHCWWYOPM-HXUWFJFHSA-N 1 2 375.559 4.022 20 0 GIADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)s1 ZINC000414416743 823977623 /nfs/dbraw/zinc/97/76/23/823977623.db2.gz WOIYKFHCWWYOPM-HXUWFJFHSA-N 1 2 375.559 4.022 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc(C)c1Br ZINC000192417803 823980498 /nfs/dbraw/zinc/98/04/98/823980498.db2.gz DXWAMTNNPSIFCL-LRDDRELGSA-N 1 2 391.313 4.377 20 0 GIADLO Cn1c[nH+]c(CCNC(=O)N2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)c1 ZINC000575768171 823989767 /nfs/dbraw/zinc/98/97/67/823989767.db2.gz RNBRGKBRXLLAMO-NRFANRHFSA-N 1 2 394.906 4.125 20 0 GIADLO O=C(Nc1cccc(OCCF)c1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000126970620 823991934 /nfs/dbraw/zinc/99/19/34/823991934.db2.gz SAHJPAQILRYPSR-RTWAWAEBSA-N 1 2 394.450 4.282 20 0 GIADLO Cc1ccnc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000575784258 823994029 /nfs/dbraw/zinc/99/40/29/823994029.db2.gz KDNYRDODRMEESK-VGOFRKELSA-N 1 2 380.513 4.234 20 0 GIADLO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000192468011 824002639 /nfs/dbraw/zinc/00/26/39/824002639.db2.gz WWWWGHVMKTYRNG-KRWDZBQOSA-N 1 2 382.479 4.364 20 0 GIADLO CCc1cccc(C)c1NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000170902654 824003278 /nfs/dbraw/zinc/00/32/78/824003278.db2.gz RIOJXQWCQOKMEC-GOSISDBHSA-N 1 2 381.520 4.477 20 0 GIADLO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000414550328 824009220 /nfs/dbraw/zinc/00/92/20/824009220.db2.gz CYCRMVFONVEUET-UHFFFAOYSA-N 1 2 397.548 4.332 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000575840809 824009628 /nfs/dbraw/zinc/00/96/28/824009628.db2.gz BPTKDXYPDNBVBO-LJQANCHMSA-N 1 2 377.835 4.294 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cnn(-c2ccccc2)c1 ZINC000192493986 824010349 /nfs/dbraw/zinc/01/03/49/824010349.db2.gz CXGRXCYPWSCGJW-UHFFFAOYSA-N 1 2 383.455 4.324 20 0 GIADLO COc1cc(C[NH2+]Cc2nnc(C3CC3)s2)ccc1OCc1cccs1 ZINC000414558145 824011749 /nfs/dbraw/zinc/01/17/49/824011749.db2.gz RLUYOHDOGFEEQW-UHFFFAOYSA-N 1 2 387.530 4.354 20 0 GIADLO Cc1ccccc1C1CC[NH+](CN2C(=S)N=NC2Cc2cccs2)CC1 ZINC000170951642 824014863 /nfs/dbraw/zinc/01/48/63/824014863.db2.gz VWYKEJMDIWCRLS-UHFFFAOYSA-N 1 2 384.574 4.365 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000575869493 824016527 /nfs/dbraw/zinc/01/65/27/824016527.db2.gz RMHYBANVYUADME-UHFFFAOYSA-N 1 2 396.878 4.033 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)Nc1ccc([C@H]2CCOC2)cc1 ZINC000575878807 824018240 /nfs/dbraw/zinc/01/82/40/824018240.db2.gz ZJJIVIVXAGACKY-INIZCTEOSA-N 1 2 386.521 4.277 20 0 GIADLO O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000127116959 824020888 /nfs/dbraw/zinc/02/08/88/824020888.db2.gz JPPVYCYOIOLPAY-UHFFFAOYSA-N 1 2 381.379 4.037 20 0 GIADLO CCOc1ccc(-c2noc(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)n2)cc1 ZINC000170971769 824023713 /nfs/dbraw/zinc/02/37/13/824023713.db2.gz NBHXUEURDIVKED-UHFFFAOYSA-N 1 2 397.450 4.070 20 0 GIADLO C[C@@H](CC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C)n1cc[nH+]c1 ZINC000575926022 824030487 /nfs/dbraw/zinc/03/04/87/824030487.db2.gz IYYBJBGQUMUNLZ-SJCJKPOMSA-N 1 2 376.298 4.037 20 0 GIADLO Cc1cc(C)c(NC(=O)c2nn(-c3ccccc3F)c3c2CCCC3)c(C)[nH+]1 ZINC000414780794 824035468 /nfs/dbraw/zinc/03/54/68/824035468.db2.gz HEEPYVHVXDXYLN-UHFFFAOYSA-N 1 2 378.451 4.463 20 0 GIADLO O=C(Nc1cc(F)cc(Br)c1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000575951769 824035779 /nfs/dbraw/zinc/03/57/79/824035779.db2.gz ZFCWXAMNMXHISV-UHFFFAOYSA-N 1 2 392.203 4.224 20 0 GIADLO FC(F)n1ccnc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000171039102 824044562 /nfs/dbraw/zinc/04/45/62/824044562.db2.gz OETRZSIMBNQGLY-CYBMUJFWSA-N 1 2 393.825 4.361 20 0 GIADLO FC(F)n1ccnc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000171039102 824044565 /nfs/dbraw/zinc/04/45/65/824044565.db2.gz OETRZSIMBNQGLY-CYBMUJFWSA-N 1 2 393.825 4.361 20 0 GIADLO Cn1c(=S)n(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)nc1-c1ccncc1 ZINC000171045898 824046451 /nfs/dbraw/zinc/04/64/51/824046451.db2.gz KYOBXRCNCAVYQO-GOSISDBHSA-N 1 2 379.533 4.240 20 0 GIADLO Cn1c(=S)n(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)nc1-c1ccncc1 ZINC000171045898 824046454 /nfs/dbraw/zinc/04/64/54/824046454.db2.gz KYOBXRCNCAVYQO-GOSISDBHSA-N 1 2 379.533 4.240 20 0 GIADLO CCOC(=O)c1nc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)cs1 ZINC000576006408 824048260 /nfs/dbraw/zinc/04/82/60/824048260.db2.gz NJJQCZIWAYHPAX-GOSISDBHSA-N 1 2 388.533 4.094 20 0 GIADLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)nc1)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000359894488 206268109 /nfs/dbraw/zinc/26/81/09/206268109.db2.gz GCFINQQFUSYWSC-QHCPKHFHSA-N 1 2 397.482 4.222 20 0 GIADLO COC(=O)c1occc1C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000359993070 206277605 /nfs/dbraw/zinc/27/76/05/206277605.db2.gz JPIHFFFQRWXZQX-LRDDRELGSA-N 1 2 384.259 4.240 20 0 GIADLO COC(=O)c1occc1C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000359993073 206277334 /nfs/dbraw/zinc/27/73/34/206277334.db2.gz JPIHFFFQRWXZQX-WBMJQRKESA-N 1 2 384.259 4.240 20 0 GIADLO C[C@@H]1C[C@@H](NC(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c2[nH+]ccn21 ZINC000333197817 570735157 /nfs/dbraw/zinc/73/51/57/570735157.db2.gz QBADVXNQCJPNBR-BFUOFWGJSA-N 1 2 381.455 4.099 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2cc3ccccc3[nH]2)C[C@H](C)O1 ZINC000120738283 823054940 /nfs/dbraw/zinc/05/49/40/823054940.db2.gz AUPFXAFEZWQUAL-IRXDYDNUSA-N 1 2 392.503 4.099 20 0 GIADLO CCO[C@H](C)c1nc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cs1 ZINC000120761918 823058823 /nfs/dbraw/zinc/05/88/23/823058823.db2.gz WQOXBFDIWIEFBH-AUUYWEPGSA-N 1 2 378.513 4.325 20 0 GIADLO CCOc1cccc2[nH]cc(CC(=O)Nc3nc(C[NH+]4CCCCC4)cs3)c21 ZINC000187421738 823060563 /nfs/dbraw/zinc/06/05/63/823060563.db2.gz PJDQWACELTWWEC-UHFFFAOYSA-N 1 2 398.532 4.190 20 0 GIADLO O=C(CC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1)N1CCCC1 ZINC000175900145 823067249 /nfs/dbraw/zinc/06/72/49/823067249.db2.gz NXBISSGYKHJAEQ-UHFFFAOYSA-N 1 2 397.588 4.153 20 0 GIADLO COC(=O)c1cccc(C[NH2+]C(C)(C)c2nc(-c3ccccc3F)c(C)s2)n1 ZINC000570668725 823069451 /nfs/dbraw/zinc/06/94/51/823069451.db2.gz XKQDPJLUULUBRR-UHFFFAOYSA-N 1 2 399.491 4.464 20 0 GIADLO CC(C)c1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)nn1-c1ccccc1 ZINC000120830004 823072871 /nfs/dbraw/zinc/07/28/71/823072871.db2.gz ZHINICWKJSMOSR-UHFFFAOYSA-N 1 2 399.498 4.171 20 0 GIADLO COc1cc(Cl)c(Cl)cc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175938335 823077133 /nfs/dbraw/zinc/07/71/33/823077133.db2.gz PDSLRWUBGLHEFY-UHFFFAOYSA-N 1 2 390.270 4.177 20 0 GIADLO Cc1cc(Br)cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000187500393 823075960 /nfs/dbraw/zinc/07/59/60/823075960.db2.gz OWKFCFZJXDONFL-BBRMVZONSA-N 1 2 377.286 4.069 20 0 GIADLO C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1c(F)cccc1Cl ZINC000175933044 823076085 /nfs/dbraw/zinc/07/60/85/823076085.db2.gz LDOHPPOYQHSRMB-AWEZNQCLSA-N 1 2 386.858 4.284 20 0 GIADLO CCOCc1cccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000175933554 823076405 /nfs/dbraw/zinc/07/64/05/823076405.db2.gz HMERKQFWITXHGB-UHFFFAOYSA-N 1 2 396.535 4.080 20 0 GIADLO O=C(C[C@H](c1ccc(O)cc1)C1CC1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000570733329 823077976 /nfs/dbraw/zinc/07/79/76/823077976.db2.gz JOMYYPSOZHXULB-ZJOUEHCJSA-N 1 2 379.504 4.210 20 0 GIADLO CCSc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000056016691 823079096 /nfs/dbraw/zinc/07/90/96/823079096.db2.gz RBFYTWZTKBOFOM-HOTGVXAUSA-N 1 2 385.533 4.055 20 0 GIADLO Brc1ccc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)nc1 ZINC000175957674 823082216 /nfs/dbraw/zinc/08/22/16/823082216.db2.gz OBUCEZRZFCADDV-IBGZPJMESA-N 1 2 375.310 4.068 20 0 GIADLO Brc1ccc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)nc1 ZINC000175957674 823082220 /nfs/dbraw/zinc/08/22/20/823082220.db2.gz OBUCEZRZFCADDV-IBGZPJMESA-N 1 2 375.310 4.068 20 0 GIADLO CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000175962980 823083181 /nfs/dbraw/zinc/08/31/81/823083181.db2.gz FJJAPGHFDMPULI-HNNXBMFYSA-N 1 2 383.521 4.102 20 0 GIADLO C[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ncc(Br)cc1F ZINC000187543933 823086021 /nfs/dbraw/zinc/08/60/21/823086021.db2.gz UQRSOOJBOWGWDV-VIFPVBQESA-N 1 2 385.664 4.422 20 0 GIADLO O=C(NC1CC1)[C@H]([NH2+]Cc1cccnc1Oc1cccc(F)c1)c1ccccc1 ZINC000056144437 823087854 /nfs/dbraw/zinc/08/78/54/823087854.db2.gz QVEXYRZRYBRABZ-OAQYLSRUSA-N 1 2 391.446 4.123 20 0 GIADLO Cc1ccc(-c2ccc(C[NH2+][C@H](c3nc(-c4nc[nH]n4)no3)C(C)(C)C)o2)cc1 ZINC000120953588 823092280 /nfs/dbraw/zinc/09/22/80/823092280.db2.gz ULZPRQBUFNONAT-QGZVFWFLSA-N 1 2 392.463 4.300 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000175986979 823089206 /nfs/dbraw/zinc/08/92/06/823089206.db2.gz MIVXUZIBOJFSID-LEWJYISDSA-N 1 2 396.510 4.025 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000175991426 823090323 /nfs/dbraw/zinc/09/03/23/823090323.db2.gz FLXMVQJBRYEIKX-UHFFFAOYSA-N 1 2 396.384 4.237 20 0 GIADLO C[C@@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)[C@@H]1c1ccccc1 ZINC000176006505 823094135 /nfs/dbraw/zinc/09/41/35/823094135.db2.gz KARKMDHASWNEOH-JPYJTQIMSA-N 1 2 392.547 4.124 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)c(OC)c3)c2C1 ZINC000187608509 823097194 /nfs/dbraw/zinc/09/71/94/823097194.db2.gz OICDPASSRDQEMU-UHFFFAOYSA-N 1 2 379.435 4.013 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)c(OC)c3)c2C1 ZINC000187608509 823097199 /nfs/dbraw/zinc/09/71/99/823097199.db2.gz OICDPASSRDQEMU-UHFFFAOYSA-N 1 2 379.435 4.013 20 0 GIADLO COc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c(OC)c1 ZINC000056202443 823102306 /nfs/dbraw/zinc/10/23/06/823102306.db2.gz RPLXJEFHFQXZFA-HSZRJFAPSA-N 1 2 390.483 4.482 20 0 GIADLO O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056224589 823107287 /nfs/dbraw/zinc/10/72/87/823107287.db2.gz CDMCLVSMZMBQLF-UHFFFAOYSA-N 1 2 388.471 4.187 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000121048994 823108706 /nfs/dbraw/zinc/10/87/06/823108706.db2.gz ZKNIZQMFVKSQSR-GFCCVEGCSA-N 1 2 378.567 4.152 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000121048994 823108709 /nfs/dbraw/zinc/10/87/09/823108709.db2.gz ZKNIZQMFVKSQSR-GFCCVEGCSA-N 1 2 378.567 4.152 20 0 GIADLO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121041845 823107637 /nfs/dbraw/zinc/10/76/37/823107637.db2.gz UDWDJQSKUCMPGB-HOCLYGCPSA-N 1 2 389.565 4.454 20 0 GIADLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121041845 823107640 /nfs/dbraw/zinc/10/76/40/823107640.db2.gz UDWDJQSKUCMPGB-HOCLYGCPSA-N 1 2 389.565 4.454 20 0 GIADLO CCCOc1cc(OC)ccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000570944319 823110413 /nfs/dbraw/zinc/11/04/13/823110413.db2.gz HNRKDLGIHLXSMQ-KRWDZBQOSA-N 1 2 397.519 4.037 20 0 GIADLO CCCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000570944320 823110428 /nfs/dbraw/zinc/11/04/28/823110428.db2.gz HNRKDLGIHLXSMQ-QGZVFWFLSA-N 1 2 397.519 4.037 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+]([C@H](C)c4cccnc4)CC3)o2)cc1C ZINC000121077267 823114029 /nfs/dbraw/zinc/11/40/29/823114029.db2.gz SZVLOYTZBWASNF-RTBURBONSA-N 1 2 391.519 4.188 20 0 GIADLO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121102767 823119193 /nfs/dbraw/zinc/11/91/93/823119193.db2.gz QQGTWLICZAIFAG-LBPRGKRZSA-N 1 2 391.905 4.214 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccccc2N(C)C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000121097619 823117864 /nfs/dbraw/zinc/11/78/64/823117864.db2.gz HHIDPURDTNXCIN-UWJYYQICSA-N 1 2 381.524 4.377 20 0 GIADLO CC[C@H](CSc1ccccc1)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121106914 823120028 /nfs/dbraw/zinc/12/00/28/823120028.db2.gz FPFWUGXYFFREJG-GOSISDBHSA-N 1 2 384.549 4.052 20 0 GIADLO CSc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1Cl ZINC000176109927 823123092 /nfs/dbraw/zinc/12/30/92/823123092.db2.gz XCFIXHVCFLQPOF-CQSZACIVSA-N 1 2 390.940 4.368 20 0 GIADLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(OCC(F)(F)F)c1 ZINC000056313842 823126114 /nfs/dbraw/zinc/12/61/14/823126114.db2.gz HZHUOOXRKJGNQZ-UHFFFAOYSA-N 1 2 375.350 4.374 20 0 GIADLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000176119626 823126794 /nfs/dbraw/zinc/12/67/94/823126794.db2.gz TWSBNUYSDFNLSX-AREMUKBSSA-N 1 2 391.899 4.170 20 0 GIADLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000176119626 823126799 /nfs/dbraw/zinc/12/67/99/823126799.db2.gz TWSBNUYSDFNLSX-AREMUKBSSA-N 1 2 391.899 4.170 20 0 GIADLO O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000121158609 823129511 /nfs/dbraw/zinc/12/95/11/823129511.db2.gz OGNPLUZRUDFGBJ-YSVLISHTSA-N 1 2 393.318 4.168 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)[C@H]2CCSC2)cs1)c1ccc(Cl)cc1 ZINC000121178416 823132876 /nfs/dbraw/zinc/13/28/76/823132876.db2.gz BDBCKCHFKMOALC-INIZCTEOSA-N 1 2 381.954 4.418 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)[C@H]2CCSC2)cs1)c1ccc(Cl)cc1 ZINC000121178416 823132880 /nfs/dbraw/zinc/13/28/80/823132880.db2.gz BDBCKCHFKMOALC-INIZCTEOSA-N 1 2 381.954 4.418 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)[C@@H]2CCSC2)cs1)c1ccc(Cl)cc1 ZINC000121178263 823132989 /nfs/dbraw/zinc/13/29/89/823132989.db2.gz BDBCKCHFKMOALC-MRXNPFEDSA-N 1 2 381.954 4.418 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)[C@@H]2CCSC2)cs1)c1ccc(Cl)cc1 ZINC000121178263 823132991 /nfs/dbraw/zinc/13/29/91/823132991.db2.gz BDBCKCHFKMOALC-MRXNPFEDSA-N 1 2 381.954 4.418 20 0 GIADLO COc1cc(C[N@H+](C)Cc2nnc(-c3cc4c(s3)CCCC4)o2)ccc1O ZINC000121219492 823141141 /nfs/dbraw/zinc/14/11/41/823141141.db2.gz OHEFNZBBBXPCLD-UHFFFAOYSA-N 1 2 385.489 4.023 20 0 GIADLO COc1cc(C[N@@H+](C)Cc2nnc(-c3cc4c(s3)CCCC4)o2)ccc1O ZINC000121219492 823141145 /nfs/dbraw/zinc/14/11/45/823141145.db2.gz OHEFNZBBBXPCLD-UHFFFAOYSA-N 1 2 385.489 4.023 20 0 GIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Oc2ccccc2)o1 ZINC000176167416 823141506 /nfs/dbraw/zinc/14/15/06/823141506.db2.gz JBEYYJNRDNLYOG-UHFFFAOYSA-N 1 2 378.428 4.156 20 0 GIADLO C[C@@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000121241249 823145839 /nfs/dbraw/zinc/14/58/39/823145839.db2.gz DTCIYVKAERFSAA-KSSFIOAISA-N 1 2 378.394 4.274 20 0 GIADLO FC(F)(F)c1ccccc1OCC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000187841670 823144504 /nfs/dbraw/zinc/14/45/04/823144504.db2.gz SEAUQQJONGTVMJ-UHFFFAOYSA-N 1 2 381.398 4.257 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1ccccc1OC1CCCC1 ZINC000056421503 823147399 /nfs/dbraw/zinc/14/73/99/823147399.db2.gz CZIBINUSYQPAIF-UHFFFAOYSA-N 1 2 394.519 4.003 20 0 GIADLO Cc1cccn2cc(Cc3noc(-c4ccc5c(c4)nc(C(F)F)n5C)n3)[nH+]c12 ZINC000571202990 823147993 /nfs/dbraw/zinc/14/79/93/823147993.db2.gz SQIYCKMRZWSYNG-UHFFFAOYSA-N 1 2 394.385 4.108 20 0 GIADLO Cc1cc(Cl)ccc1OCCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000056448116 823151347 /nfs/dbraw/zinc/15/13/47/823151347.db2.gz DLDQCJPSDLOBCV-UHFFFAOYSA-N 1 2 383.879 4.092 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2cccc(-n3ccnc3)c2)no1)c1cccc(Cl)c1 ZINC000571243215 823154390 /nfs/dbraw/zinc/15/43/90/823154390.db2.gz HDXDPULNHGJFIS-GOSISDBHSA-N 1 2 379.851 4.227 20 0 GIADLO CCC[N@H+](Cc1cc(-c2ccccc2C)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000459280168 823155895 /nfs/dbraw/zinc/15/58/95/823155895.db2.gz AVXXIVNZBWBPPR-FQEVSTJZSA-N 1 2 387.545 4.070 20 0 GIADLO CCC[N@@H+](Cc1cc(-c2ccccc2C)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000459280168 823155896 /nfs/dbraw/zinc/15/58/96/823155896.db2.gz AVXXIVNZBWBPPR-FQEVSTJZSA-N 1 2 387.545 4.070 20 0 GIADLO CCC1(c2ccccc2)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000459299175 823158303 /nfs/dbraw/zinc/15/83/03/823158303.db2.gz JBOWQFJAWCVTEO-UHFFFAOYSA-N 1 2 384.549 4.325 20 0 GIADLO COCc1cc(C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)no1 ZINC000459303445 823158693 /nfs/dbraw/zinc/15/86/93/823158693.db2.gz KVWILLYKJJDOFY-UHFFFAOYSA-N 1 2 377.897 4.464 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056549741 823166912 /nfs/dbraw/zinc/16/69/12/823166912.db2.gz YBCLGWXUQOMVHY-UHFFFAOYSA-N 1 2 385.265 4.265 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)C3Cc4ccccc4C3)n2)C1 ZINC000056554874 823168497 /nfs/dbraw/zinc/16/84/97/823168497.db2.gz ARIINMGQCSXMJD-OAHLLOKOSA-N 1 2 384.549 4.006 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)C3Cc4ccccc4C3)n2)C1 ZINC000056554874 823168502 /nfs/dbraw/zinc/16/85/02/823168502.db2.gz ARIINMGQCSXMJD-OAHLLOKOSA-N 1 2 384.549 4.006 20 0 GIADLO CC(C)c1cccc(O[C@@H](C(=O)NCCc2c[nH+]cn2C)c2ccccc2)c1 ZINC000121350914 823168567 /nfs/dbraw/zinc/16/85/67/823168567.db2.gz PETNDBZTGGIQLV-JOCHJYFZSA-N 1 2 377.488 4.023 20 0 GIADLO CCOC(=O)c1noc(C[N@H+](Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)n1 ZINC000459355133 823169788 /nfs/dbraw/zinc/16/97/88/823169788.db2.gz PQHXJBFQXLTTKJ-HXUWFJFHSA-N 1 2 391.471 4.244 20 0 GIADLO CCOC(=O)c1noc(C[N@@H+](Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)n1 ZINC000459355133 823169791 /nfs/dbraw/zinc/16/97/91/823169791.db2.gz PQHXJBFQXLTTKJ-HXUWFJFHSA-N 1 2 391.471 4.244 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2Cc3ccc(Cl)cc3C2)C[C@H](C)O1 ZINC000459358038 823170790 /nfs/dbraw/zinc/17/07/90/823170790.db2.gz MSGJQCGQCGEHNE-IYBDPMFKSA-N 1 2 399.922 4.497 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2Cc3ccc(Cl)cc3C2)C[C@H](C)O1 ZINC000459358038 823170791 /nfs/dbraw/zinc/17/07/91/823170791.db2.gz MSGJQCGQCGEHNE-IYBDPMFKSA-N 1 2 399.922 4.497 20 0 GIADLO CCN(C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(OC)c1 ZINC000459372853 823175454 /nfs/dbraw/zinc/17/54/54/823175454.db2.gz ZUVFNZQXSPWGSP-ROUUACIJSA-N 1 2 397.519 4.363 20 0 GIADLO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121431077 823183058 /nfs/dbraw/zinc/18/30/58/823183058.db2.gz LVBVZXWZQOSSKM-NUEKZKHPSA-N 1 2 377.271 4.172 20 0 GIADLO Cc1cc(C[NH2+]Cc2ccc(NC(=O)CCCOc3ccccc3C)cc2)no1 ZINC000459386367 823179889 /nfs/dbraw/zinc/17/98/89/823179889.db2.gz IMFPHZJLOWGDIW-UHFFFAOYSA-N 1 2 393.487 4.379 20 0 GIADLO C[C@H](c1cccc(NC(=O)N2Cc3ccc(Cl)cc3C2)c1)[NH+]1CCOCC1 ZINC000459389955 823180888 /nfs/dbraw/zinc/18/08/88/823180888.db2.gz RTLVXQWSBXAYAL-OAHLLOKOSA-N 1 2 385.895 4.281 20 0 GIADLO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000056618558 823182139 /nfs/dbraw/zinc/18/21/39/823182139.db2.gz XCXGSSMHRCQNCD-UHFFFAOYSA-N 1 2 391.475 4.046 20 0 GIADLO CN(c1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1F)C1CCCCC1 ZINC000056628289 823185083 /nfs/dbraw/zinc/18/50/83/823185083.db2.gz PWAXHEYUZCWBPS-UHFFFAOYSA-N 1 2 387.503 4.393 20 0 GIADLO COc1ccc(C[C@@H](C)C[N@H+](C)Cn2nc(C3CC3)n(C3CC3)c2=S)cc1 ZINC000121450119 823186962 /nfs/dbraw/zinc/18/69/62/823186962.db2.gz NIZIKPKKXKVTRW-OAHLLOKOSA-N 1 2 386.565 4.403 20 0 GIADLO COc1ccc(C[C@@H](C)C[N@@H+](C)Cn2nc(C3CC3)n(C3CC3)c2=S)cc1 ZINC000121450119 823186968 /nfs/dbraw/zinc/18/69/68/823186968.db2.gz NIZIKPKKXKVTRW-OAHLLOKOSA-N 1 2 386.565 4.403 20 0 GIADLO Cc1nc([C@@H]2CCCN2C(=O)CSCc2cn3cc(C)ccc3[nH+]2)cs1 ZINC000188109304 823187998 /nfs/dbraw/zinc/18/79/98/823187998.db2.gz VIKAYWPZGKHPNJ-KRWDZBQOSA-N 1 2 386.546 4.005 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(F)cc1Br ZINC000056658296 823191264 /nfs/dbraw/zinc/19/12/64/823191264.db2.gz URZPXGOHBZNCEA-UHFFFAOYSA-N 1 2 389.228 4.096 20 0 GIADLO CCC[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C(C)C ZINC000571529681 823196056 /nfs/dbraw/zinc/19/60/56/823196056.db2.gz SOYLJQXHFWYAEC-MRXNPFEDSA-N 1 2 396.329 4.340 20 0 GIADLO CC(C)OCc1c2ccccc2oc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121493584 823194351 /nfs/dbraw/zinc/19/43/51/823194351.db2.gz NBPFTPHXHHFQSI-QGZVFWFLSA-N 1 2 380.444 4.046 20 0 GIADLO Cc1sc2[nH]c([C@@H](C)[N@H+](C)Cc3ccccc3N3CCCC3)nc(=O)c2c1C ZINC000121517752 823198901 /nfs/dbraw/zinc/19/89/01/823198901.db2.gz YVRKTJRFKFVMIK-OAHLLOKOSA-N 1 2 396.560 4.395 20 0 GIADLO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)Cc3ccccc3N3CCCC3)nc(=O)c2c1C ZINC000121517752 823198904 /nfs/dbraw/zinc/19/89/04/823198904.db2.gz YVRKTJRFKFVMIK-OAHLLOKOSA-N 1 2 396.560 4.395 20 0 GIADLO CC[NH+](CC)[C@@H](CNc1c(C(=O)[O-])c[nH+]c2c(OC)cccc12)c1ccco1 ZINC000571566285 823201412 /nfs/dbraw/zinc/20/14/12/823201412.db2.gz QAANMUGNKJJLLX-INIZCTEOSA-N 1 2 383.448 4.030 20 0 GIADLO O=C(Nc1cccc(N2CCCCC2)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000056741571 823204736 /nfs/dbraw/zinc/20/47/36/823204736.db2.gz JDELPRZSSWBJAC-UHFFFAOYSA-N 1 2 384.549 4.088 20 0 GIADLO COc1ccccc1Oc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1F ZINC000056745274 823205265 /nfs/dbraw/zinc/20/52/65/823205265.db2.gz RLTKOWYEYSZKTA-UHFFFAOYSA-N 1 2 398.438 4.425 20 0 GIADLO Cc1ccc(-c2nnc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCC3)o2)cc1 ZINC000459522452 823210343 /nfs/dbraw/zinc/21/03/43/823210343.db2.gz GHWMAIMUKQAOOT-NRFANRHFSA-N 1 2 377.488 4.429 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459526763 823211852 /nfs/dbraw/zinc/21/18/52/823211852.db2.gz PQGDUIFSUJJVQZ-UHFFFAOYSA-N 1 2 384.907 4.151 20 0 GIADLO Cc1sc(C(C)(C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)nc1-c1ccccc1F ZINC000571646124 823213936 /nfs/dbraw/zinc/21/39/36/823213936.db2.gz ZBEBRKBPJDXLIM-CQSZACIVSA-N 1 2 398.507 4.068 20 0 GIADLO C[C@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1C(F)(F)F ZINC000121605995 823214910 /nfs/dbraw/zinc/21/49/10/823214910.db2.gz WQZOMYAAMXYODU-ZBFHGGJFSA-N 1 2 378.394 4.274 20 0 GIADLO Cc1nc(-c2cccs2)ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409450872 823221249 /nfs/dbraw/zinc/22/12/49/823221249.db2.gz APIZNEOGNGOEPO-UHFFFAOYSA-N 1 2 392.459 4.373 20 0 GIADLO Cc1cc(C)c(NC(=O)CCC[S@@](=O)Cc2cn3cccc(C)c3[nH+]2)c(C)c1 ZINC000176499776 823222289 /nfs/dbraw/zinc/22/22/89/823222289.db2.gz CJZBDGDMHUOUBL-MUUNZHRXSA-N 1 2 397.544 4.236 20 0 GIADLO CC1(C)Cc2ccsc2C[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000459573081 823223250 /nfs/dbraw/zinc/22/32/50/823223250.db2.gz BXVGLXVBSNEUPR-UHFFFAOYSA-N 1 2 397.569 4.472 20 0 GIADLO CC1(C)Cc2ccsc2C[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000459573081 823223256 /nfs/dbraw/zinc/22/32/56/823223256.db2.gz BXVGLXVBSNEUPR-UHFFFAOYSA-N 1 2 397.569 4.472 20 0 GIADLO CCOc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)ccc1O ZINC000459580922 823225011 /nfs/dbraw/zinc/22/50/11/823225011.db2.gz BTETWNPIXQTASQ-INIZCTEOSA-N 1 2 377.282 4.286 20 0 GIADLO CCOc1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)ccc1O ZINC000459580922 823225012 /nfs/dbraw/zinc/22/50/12/823225012.db2.gz BTETWNPIXQTASQ-INIZCTEOSA-N 1 2 377.282 4.286 20 0 GIADLO CC(C)Oc1ccccc1[C@@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895377 823229385 /nfs/dbraw/zinc/22/93/85/823229385.db2.gz YEIQKOYIBWPAAL-QGZVFWFLSA-N 1 2 378.476 4.220 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000056931641 823232312 /nfs/dbraw/zinc/23/23/12/823232312.db2.gz JAZHFLVCCRPQEO-HOTGVXAUSA-N 1 2 382.439 4.263 20 0 GIADLO COc1cc(C[NH+]2CC(C)(CC(F)(F)F)C2)cc(OC)c1OCC(F)F ZINC000459644724 823237075 /nfs/dbraw/zinc/23/70/75/823237075.db2.gz XQEDIRPRSPFHQL-UHFFFAOYSA-N 1 2 383.357 4.122 20 0 GIADLO Cc1ccc(C)c(-n2cnc3cc(C(=O)N4CCC[C@@H](c5[nH]cc[nH+]5)C4)ccc32)c1 ZINC000409519591 823239860 /nfs/dbraw/zinc/23/98/60/823239860.db2.gz HTUOWCGGHYFBKW-LJQANCHMSA-N 1 2 399.498 4.385 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c1C ZINC000176612739 823248959 /nfs/dbraw/zinc/24/89/59/823248959.db2.gz GDWGVSRCNVPBKR-GOSISDBHSA-N 1 2 396.535 4.210 20 0 GIADLO CN(C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1ccc2c(c1)OCO2 ZINC000571876641 823249117 /nfs/dbraw/zinc/24/91/17/823249117.db2.gz JVWJMWALIHUCFD-UHFFFAOYSA-N 1 2 390.443 4.283 20 0 GIADLO COc1ccc(C[N@H+](Cn2nc(-c3ccccc3)ccc2=O)[C@@H](C)C2CC2)cc1 ZINC000057100258 823249381 /nfs/dbraw/zinc/24/93/81/823249381.db2.gz FSGIWLSFQPNFRE-SFHVURJKSA-N 1 2 389.499 4.177 20 0 GIADLO COc1ccc(C[N@@H+](Cn2nc(-c3ccccc3)ccc2=O)[C@@H](C)C2CC2)cc1 ZINC000057100258 823249385 /nfs/dbraw/zinc/24/93/85/823249385.db2.gz FSGIWLSFQPNFRE-SFHVURJKSA-N 1 2 389.499 4.177 20 0 GIADLO CC(C)(C)[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(F)cc1 ZINC000121797964 823253816 /nfs/dbraw/zinc/25/38/16/823253816.db2.gz SHMPGEOEPUKELM-HXUWFJFHSA-N 1 2 384.499 4.408 20 0 GIADLO C[C@H](C[N@H+](C)Cc1csc(COc2ccccc2)n1)C(=O)OC(C)(C)C ZINC000459751217 823260219 /nfs/dbraw/zinc/26/02/19/823260219.db2.gz AGLYQDREKLFGPX-OAHLLOKOSA-N 1 2 376.522 4.132 20 0 GIADLO C[C@H](C[N@@H+](C)Cc1csc(COc2ccccc2)n1)C(=O)OC(C)(C)C ZINC000459751217 823260226 /nfs/dbraw/zinc/26/02/26/823260226.db2.gz AGLYQDREKLFGPX-OAHLLOKOSA-N 1 2 376.522 4.132 20 0 GIADLO C[C@@H](C[N@H+](C)Cc1csc(COc2ccccc2)n1)C(=O)OC(C)(C)C ZINC000459751215 823260416 /nfs/dbraw/zinc/26/04/16/823260416.db2.gz AGLYQDREKLFGPX-HNNXBMFYSA-N 1 2 376.522 4.132 20 0 GIADLO C[C@@H](C[N@@H+](C)Cc1csc(COc2ccccc2)n1)C(=O)OC(C)(C)C ZINC000459751215 823260418 /nfs/dbraw/zinc/26/04/18/823260418.db2.gz AGLYQDREKLFGPX-HNNXBMFYSA-N 1 2 376.522 4.132 20 0 GIADLO COc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)cc1OCc1cccnc1 ZINC000121845259 823261827 /nfs/dbraw/zinc/26/18/27/823261827.db2.gz RYXMTSPERATCNP-UHFFFAOYSA-N 1 2 386.455 4.467 20 0 GIADLO Cc1ccc(NC(=O)C[NH+](CC(=O)Nc2ccc(C)cc2C)CC(C)C)c(C)c1 ZINC000003289554 817432159 /nfs/dbraw/zinc/43/21/59/817432159.db2.gz GATSCXQBRWZJMG-UHFFFAOYSA-N 1 2 395.547 4.455 20 0 GIADLO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c3ccn(C)n3)ccc21 ZINC000459786810 823265284 /nfs/dbraw/zinc/26/52/84/823265284.db2.gz KYFOFDIMPFSZJB-JKSUJKDBSA-N 1 2 389.503 4.226 20 0 GIADLO COc1ccccc1COc1cccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C ZINC000572013522 823269301 /nfs/dbraw/zinc/26/93/01/823269301.db2.gz CPLFRPVVSAFXDW-HNNXBMFYSA-N 1 2 379.460 4.123 20 0 GIADLO COc1ccccc1COc1cccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C ZINC000572013522 823269304 /nfs/dbraw/zinc/26/93/04/823269304.db2.gz CPLFRPVVSAFXDW-HNNXBMFYSA-N 1 2 379.460 4.123 20 0 GIADLO CC(=O)Nc1nc(C[NH2+]C(C)(C)c2ccc(Br)c(C)c2)cs1 ZINC000572050649 823274272 /nfs/dbraw/zinc/27/42/72/823274272.db2.gz NDKOIPRHWGVDLI-UHFFFAOYSA-N 1 2 382.327 4.197 20 0 GIADLO CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000572065946 823277015 /nfs/dbraw/zinc/27/70/15/823277015.db2.gz IQVURNSKWUPUJK-NRFANRHFSA-N 1 2 397.906 4.305 20 0 GIADLO CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)c1cc(C)[nH+]c(C2CC2)n1 ZINC000409664332 823277962 /nfs/dbraw/zinc/27/79/62/823277962.db2.gz FPDPLLACROTYID-UHFFFAOYSA-N 1 2 393.318 4.112 20 0 GIADLO Cc1ccc(Oc2ccc(NC(=O)N(C)CCCn3cc[nH+]c3)cn2)cc1C ZINC000121950911 823283616 /nfs/dbraw/zinc/28/36/16/823283616.db2.gz WWCAXPKAOQQEPO-UHFFFAOYSA-N 1 2 379.464 4.241 20 0 GIADLO CCOC(=O)c1sc2cccc(F)c2c1CSc1nc(N)cc(C)[nH+]1 ZINC000006980322 817733890 /nfs/dbraw/zinc/73/38/90/817733890.db2.gz MMPWWYAOVVUUDK-UHFFFAOYSA-N 1 2 377.466 4.190 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000409691270 823284195 /nfs/dbraw/zinc/28/41/95/823284195.db2.gz WICQURUPJAANLD-UHFFFAOYSA-N 1 2 386.282 4.437 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000409707976 823287522 /nfs/dbraw/zinc/28/75/22/823287522.db2.gz VQUOKJPVXXQHRZ-JKSUJKDBSA-N 1 2 391.437 4.109 20 0 GIADLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000176774096 823289926 /nfs/dbraw/zinc/28/99/26/823289926.db2.gz XPNTZZFGDFMVFZ-CYBMUJFWSA-N 1 2 393.834 4.067 20 0 GIADLO COCC[C@H](Nc1cc[nH+]c2c(Br)ccc(F)c12)c1ccco1 ZINC000409718554 823290130 /nfs/dbraw/zinc/29/01/30/823290130.db2.gz GXZCCBDZUKEENO-ZDUSSCGKSA-N 1 2 379.229 4.341 20 0 GIADLO CC(=O)c1ccc(CNc2cc[nH+]c3c(Br)ccc(F)c23)nc1C ZINC000409734884 823294767 /nfs/dbraw/zinc/29/47/67/823294767.db2.gz YKYQHCAATIKXGR-UHFFFAOYSA-N 1 2 388.240 4.076 20 0 GIADLO Oc1cccc(C[N@@H+](Cc2nc(C(F)(F)F)cs2)[C@H]2CC[C@H](O)CC2)c1 ZINC000572175575 823295004 /nfs/dbraw/zinc/29/50/04/823295004.db2.gz OKPCDFNPNPHTHL-HDJSIYSDSA-N 1 2 386.439 4.173 20 0 GIADLO Oc1cccc(C[N@H+](Cc2nc(C(F)(F)F)cs2)[C@H]2CC[C@H](O)CC2)c1 ZINC000572175575 823295008 /nfs/dbraw/zinc/29/50/08/823295008.db2.gz OKPCDFNPNPHTHL-HDJSIYSDSA-N 1 2 386.439 4.173 20 0 GIADLO Cn1c[nH+]cc1CCC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188769620 823301081 /nfs/dbraw/zinc/30/10/81/823301081.db2.gz UBLBKFAHESQCFJ-HXUWFJFHSA-N 1 2 398.304 4.021 20 0 GIADLO C[C@H](c1cccc(NC(=O)[C@H]2CCSc3ccccc32)c1)[NH+]1CCOCC1 ZINC000460166265 823303248 /nfs/dbraw/zinc/30/32/48/823303248.db2.gz DUTKFBNZHXWQSO-UZLBHIALSA-N 1 2 382.529 4.298 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409763080 823301609 /nfs/dbraw/zinc/30/16/09/823301609.db2.gz HYUDCQOPIAZPAU-HRCADAONSA-N 1 2 389.849 4.054 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409763080 823301615 /nfs/dbraw/zinc/30/16/15/823301615.db2.gz HYUDCQOPIAZPAU-HRCADAONSA-N 1 2 389.849 4.054 20 0 GIADLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc(Cl)c(Cl)c1 ZINC000008120196 818003669 /nfs/dbraw/zinc/00/36/69/818003669.db2.gz SGQRNKKZEIEBON-UHFFFAOYSA-N 1 2 395.286 4.225 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc(Cl)c(Cl)c1 ZINC000008120196 818003679 /nfs/dbraw/zinc/00/36/79/818003679.db2.gz SGQRNKKZEIEBON-UHFFFAOYSA-N 1 2 395.286 4.225 20 0 GIADLO Cc1ccc(N2C(=O)c3ccccc3C(=C[NH2+]Nc3cccc(C)c3)C2=O)cc1 ZINC000015211950 818300181 /nfs/dbraw/zinc/30/01/81/818300181.db2.gz FDSSOPCIUBFMSV-JCMHNJIXSA-N 1 2 383.451 4.448 20 0 GIADLO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc1 ZINC000572363532 823327732 /nfs/dbraw/zinc/32/77/32/823327732.db2.gz NZYGSCAZQCURFX-OXQOHEQNSA-N 1 2 376.460 4.102 20 0 GIADLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)Cc1ccc(Br)s1 ZINC000015371796 818318952 /nfs/dbraw/zinc/31/89/52/818318952.db2.gz KYMSPBLMCBKRPO-QWHCGFSZSA-N 1 2 393.350 4.309 20 0 GIADLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000015371796 818318956 /nfs/dbraw/zinc/31/89/56/818318956.db2.gz KYMSPBLMCBKRPO-QWHCGFSZSA-N 1 2 393.350 4.309 20 0 GIADLO Cc1cccn2cc(C[S@](=O)Cc3csc(CCc4ccccc4)n3)[nH+]c12 ZINC000176942350 823330453 /nfs/dbraw/zinc/33/04/53/823330453.db2.gz MLDSSVCGEGJMJR-MHZLTWQESA-N 1 2 395.553 4.333 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000409868131 823330599 /nfs/dbraw/zinc/33/05/99/823330599.db2.gz BZDJRHPOTGXSRS-BSWAZPDLSA-N 1 2 379.435 4.148 20 0 GIADLO Cc1ccc(C)c(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000015767390 818367136 /nfs/dbraw/zinc/36/71/36/818367136.db2.gz DOUOFMBEBBZNIN-UHFFFAOYSA-N 1 2 376.422 4.280 20 0 GIADLO C[C@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1cc(Cl)ccc1Cl ZINC000409869556 823331420 /nfs/dbraw/zinc/33/14/20/823331420.db2.gz JDEKUMGPHOUCRB-JTQLQIEISA-N 1 2 376.280 4.387 20 0 GIADLO Cc1cccc2nc(C3CC[NH+](Cn4c(=O)sc5c4CC[C@H](C)C5)CC3)oc21 ZINC000188952762 823333297 /nfs/dbraw/zinc/33/32/97/823333297.db2.gz AYFGAMOOYOESKM-AWEZNQCLSA-N 1 2 397.544 4.321 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000016103060 818393362 /nfs/dbraw/zinc/39/33/62/818393362.db2.gz RDIYMQXPLSTBEF-UHFFFAOYSA-N 1 2 380.536 4.168 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000016103101 818393402 /nfs/dbraw/zinc/39/34/02/818393402.db2.gz DYMFMTGVMSMALB-UHFFFAOYSA-N 1 2 393.318 4.178 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc2ccccc2[nH]1 ZINC000016237697 818408013 /nfs/dbraw/zinc/40/80/13/818408013.db2.gz VSPRQJDKJSAUKL-UHFFFAOYSA-N 1 2 388.496 4.435 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc2ccccc2[nH]1 ZINC000016237697 818408014 /nfs/dbraw/zinc/40/80/14/818408014.db2.gz VSPRQJDKJSAUKL-UHFFFAOYSA-N 1 2 388.496 4.435 20 0 GIADLO CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)Cc1ccc(Cl)s1 ZINC000016341591 818426687 /nfs/dbraw/zinc/42/66/87/818426687.db2.gz VPOYXPKUUDVKPC-CYBMUJFWSA-N 1 2 396.940 4.118 20 0 GIADLO CC[N@@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)Cc1ccc(Cl)s1 ZINC000016341591 818426695 /nfs/dbraw/zinc/42/66/95/818426695.db2.gz VPOYXPKUUDVKPC-CYBMUJFWSA-N 1 2 396.940 4.118 20 0 GIADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000122315811 823337012 /nfs/dbraw/zinc/33/70/12/823337012.db2.gz DBWFXEVRGBLVKB-HNNXBMFYSA-N 1 2 388.462 4.253 20 0 GIADLO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000572427999 823337173 /nfs/dbraw/zinc/33/71/73/823337173.db2.gz JJVPJVHHKBDTBJ-FUHWJXTLSA-N 1 2 379.426 4.162 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)NCCc1ccc(Cl)cc1 ZINC000016588922 818457052 /nfs/dbraw/zinc/45/70/52/818457052.db2.gz APUBTBKVLYPIQJ-SFHVURJKSA-N 1 2 399.947 4.446 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)NCCc1ccc(Cl)cc1 ZINC000016588922 818457056 /nfs/dbraw/zinc/45/70/56/818457056.db2.gz APUBTBKVLYPIQJ-SFHVURJKSA-N 1 2 399.947 4.446 20 0 GIADLO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000017339485 818511329 /nfs/dbraw/zinc/51/13/29/818511329.db2.gz KEFMNDSCYUXXSF-UHFFFAOYSA-N 1 2 398.919 4.129 20 0 GIADLO COc1cccc(-c2nc(C[N@H+](C)C[C@H]3COc4ccccc4O3)cs2)c1 ZINC000057871976 823343388 /nfs/dbraw/zinc/34/33/88/823343388.db2.gz XSXQNTNXNNNZOU-SFHVURJKSA-N 1 2 382.485 4.091 20 0 GIADLO COc1cccc(-c2nc(C[N@@H+](C)C[C@H]3COc4ccccc4O3)cs2)c1 ZINC000057871976 823343395 /nfs/dbraw/zinc/34/33/95/823343395.db2.gz XSXQNTNXNNNZOU-SFHVURJKSA-N 1 2 382.485 4.091 20 0 GIADLO C[C@H](NC(=O)C[N@H+](Cc1ccncc1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000122356848 823343415 /nfs/dbraw/zinc/34/34/15/823343415.db2.gz RNRGQFRGYMAVHK-ZDUSSCGKSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@H](NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000122356848 823343422 /nfs/dbraw/zinc/34/34/22/823343422.db2.gz RNRGQFRGYMAVHK-ZDUSSCGKSA-N 1 2 378.303 4.230 20 0 GIADLO COc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000017744387 818526676 /nfs/dbraw/zinc/52/66/76/818526676.db2.gz BUTBSHKTUCHKDV-UHFFFAOYSA-N 1 2 393.409 4.064 20 0 GIADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000122402143 823349523 /nfs/dbraw/zinc/34/95/23/823349523.db2.gz VALCJAHJXDFLIB-UHFFFAOYSA-N 1 2 378.520 4.065 20 0 GIADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000122402143 823349528 /nfs/dbraw/zinc/34/95/28/823349528.db2.gz VALCJAHJXDFLIB-UHFFFAOYSA-N 1 2 378.520 4.065 20 0 GIADLO Cc1cc(C)c(NC(=O)c2cc(I)cc(C)c2C)c(C)[nH+]1 ZINC000122389913 823347962 /nfs/dbraw/zinc/34/79/62/823347962.db2.gz IRUXGMDMQVVFJT-UHFFFAOYSA-N 1 2 394.256 4.481 20 0 GIADLO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)n1cc[nH+]c1 ZINC000572487816 823348245 /nfs/dbraw/zinc/34/82/45/823348245.db2.gz RIFIQAHUNGWVGU-AWEZNQCLSA-N 1 2 388.899 4.189 20 0 GIADLO Cc1cc(C)c(C)c(OCCC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000409939320 823348238 /nfs/dbraw/zinc/34/82/38/823348238.db2.gz VDGKNJNDKSLXMU-FQEVSTJZSA-N 1 2 396.531 4.413 20 0 GIADLO O[C@H](C[N@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccccc1)c1ccco1 ZINC000189075501 823353105 /nfs/dbraw/zinc/35/31/05/823353105.db2.gz JEDKQXDBPREKQX-LJQANCHMSA-N 1 2 393.418 4.205 20 0 GIADLO O[C@H](C[N@@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccccc1)c1ccco1 ZINC000189075501 823353113 /nfs/dbraw/zinc/35/31/13/823353113.db2.gz JEDKQXDBPREKQX-LJQANCHMSA-N 1 2 393.418 4.205 20 0 GIADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2sc3cc(F)ccc3c2Cl)C[C@H](C)O1 ZINC000021057131 818650672 /nfs/dbraw/zinc/65/06/72/818650672.db2.gz LOHXXDUEPIHBPO-TXEJJXNPSA-N 1 2 398.931 4.311 20 0 GIADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2sc3cc(F)ccc3c2Cl)C[C@H](C)O1 ZINC000021057131 818650678 /nfs/dbraw/zinc/65/06/78/818650678.db2.gz LOHXXDUEPIHBPO-TXEJJXNPSA-N 1 2 398.931 4.311 20 0 GIADLO CC(C)Oc1cccc(CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC000572530402 823354877 /nfs/dbraw/zinc/35/48/77/823354877.db2.gz XVEWLYZEVVPNJN-UHFFFAOYSA-N 1 2 383.879 4.172 20 0 GIADLO Clc1ccc(-n2c(C[NH+]3CCCC3)nnc2SCCc2ccccn2)cc1 ZINC000021305177 818673146 /nfs/dbraw/zinc/67/31/46/818673146.db2.gz WKVIBVTXIFUNHV-UHFFFAOYSA-N 1 2 399.951 4.246 20 0 GIADLO Cc1ccccc1-n1ncc(C(=O)Nc2cccc3[nH+]ccn32)c1C(F)(F)F ZINC000460341018 823358201 /nfs/dbraw/zinc/35/82/01/823358201.db2.gz MEYLHKOPUPBVAY-UHFFFAOYSA-N 1 2 385.349 4.100 20 0 GIADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000022291320 818790892 /nfs/dbraw/zinc/79/08/92/818790892.db2.gz QQKKUXCHXGXWON-CQSZACIVSA-N 1 2 393.940 4.434 20 0 GIADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000460364736 823364766 /nfs/dbraw/zinc/36/47/66/823364766.db2.gz MTKYOMVOHBLKOH-SJKOYZFVSA-N 1 2 392.272 4.005 20 0 GIADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000460364736 823364773 /nfs/dbraw/zinc/36/47/73/823364773.db2.gz MTKYOMVOHBLKOH-SJKOYZFVSA-N 1 2 392.272 4.005 20 0 GIADLO C[N@H+](CC1CCCC1)Cn1nc(N2CCCCC2)n(-c2ccccc2)c1=S ZINC000058207479 823368695 /nfs/dbraw/zinc/36/86/95/823368695.db2.gz QUZYBOCGGLJJKL-UHFFFAOYSA-N 1 2 385.581 4.473 20 0 GIADLO C[N@@H+](CC1CCCC1)Cn1nc(N2CCCCC2)n(-c2ccccc2)c1=S ZINC000058207479 823368704 /nfs/dbraw/zinc/36/87/04/823368704.db2.gz QUZYBOCGGLJJKL-UHFFFAOYSA-N 1 2 385.581 4.473 20 0 GIADLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)C2 ZINC000572611579 823369354 /nfs/dbraw/zinc/36/93/54/823369354.db2.gz HXFYMNMYRAXVEU-OAHLLOKOSA-N 1 2 384.907 4.073 20 0 GIADLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)C2 ZINC000572611579 823369359 /nfs/dbraw/zinc/36/93/59/823369359.db2.gz HXFYMNMYRAXVEU-OAHLLOKOSA-N 1 2 384.907 4.073 20 0 GIADLO CC(C)(CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000058239456 823370852 /nfs/dbraw/zinc/37/08/52/823370852.db2.gz FFLXDMFAOZIZIH-UHFFFAOYSA-N 1 2 382.895 4.303 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(Cc2ccccc2)CC1 ZINC000177114547 823374676 /nfs/dbraw/zinc/37/46/76/823374676.db2.gz NMKZDJDEPSBYTA-UHFFFAOYSA-N 1 2 377.532 4.169 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058290308 823375312 /nfs/dbraw/zinc/37/53/12/823375312.db2.gz HXQSODUHCPUNIQ-HNNXBMFYSA-N 1 2 385.895 4.018 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc3ncccc3c2)C[C@H](C)O1 ZINC000122608084 823380481 /nfs/dbraw/zinc/38/04/81/823380481.db2.gz ROKDVUFBOWQZRB-CALCHBBNSA-N 1 2 375.472 4.096 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc3ncccc3c2)C[C@H](C)O1 ZINC000122608084 823380484 /nfs/dbraw/zinc/38/04/84/823380484.db2.gz ROKDVUFBOWQZRB-CALCHBBNSA-N 1 2 375.472 4.096 20 0 GIADLO O=C(c1ccc2c(c1)CCC2)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000024353538 819049341 /nfs/dbraw/zinc/04/93/41/819049341.db2.gz BCLQKUVCRQELMQ-UHFFFAOYSA-N 1 2 388.433 4.152 20 0 GIADLO CC[C@H]([NH2+][C@H](C)CS(=O)(=O)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000122617543 823382606 /nfs/dbraw/zinc/38/26/06/823382606.db2.gz PMIJVGUPACNWAV-YPMHNXCESA-N 1 2 392.468 4.065 20 0 GIADLO O=C(Nc1ccccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccsc1 ZINC000058383467 823384519 /nfs/dbraw/zinc/38/45/19/823384519.db2.gz XDTURVBYGFYYPS-UHFFFAOYSA-N 1 2 388.452 4.438 20 0 GIADLO O[C@H](C[N@H+](Cc1nc(-c2ccsc2)no1)Cc1ccccc1)c1ccco1 ZINC000177156881 823385995 /nfs/dbraw/zinc/38/59/95/823385995.db2.gz ODPDWFDZKNGZNL-QGZVFWFLSA-N 1 2 381.457 4.127 20 0 GIADLO O[C@H](C[N@@H+](Cc1nc(-c2ccsc2)no1)Cc1ccccc1)c1ccco1 ZINC000177156881 823385999 /nfs/dbraw/zinc/38/59/99/823385999.db2.gz ODPDWFDZKNGZNL-QGZVFWFLSA-N 1 2 381.457 4.127 20 0 GIADLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1ccnc(OC(F)F)c1 ZINC000572755234 823393279 /nfs/dbraw/zinc/39/32/79/823393279.db2.gz AATJHEZBPFPIPQ-UHFFFAOYSA-N 1 2 384.386 4.135 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)N(Cc1cccc(Br)c1)C1CC1 ZINC000572729193 823389999 /nfs/dbraw/zinc/38/99/99/823389999.db2.gz SDYXOZSSPRHWEK-UHFFFAOYSA-N 1 2 385.265 4.293 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1C ZINC000177189058 823394933 /nfs/dbraw/zinc/39/49/33/823394933.db2.gz XEZDBJYLKQCTIZ-UHFFFAOYSA-N 1 2 380.448 4.390 20 0 GIADLO CSc1ccccc1[C@@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000410112870 823395156 /nfs/dbraw/zinc/39/51/56/823395156.db2.gz KFRXDSTWGMHVJR-MRXNPFEDSA-N 1 2 380.517 4.214 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=S)Nc2ccc(OC(F)F)cc2)c1C ZINC000058466643 823395942 /nfs/dbraw/zinc/39/59/42/823395942.db2.gz BSQDTKUXGAILSD-UHFFFAOYSA-N 1 2 381.448 4.137 20 0 GIADLO COc1ccc([C@@H](C)CC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000177198056 823397107 /nfs/dbraw/zinc/39/71/07/823397107.db2.gz PBQKKVLUBYZIHX-SFHVURJKSA-N 1 2 395.547 4.040 20 0 GIADLO COc1cc2cc[nH+]c(N3CCC[C@@H]3c3cccc4c3OCCO4)c2cc1F ZINC000572794853 823399734 /nfs/dbraw/zinc/39/97/34/823399734.db2.gz BGYFXAUEZOEPBG-GOSISDBHSA-N 1 2 380.419 4.495 20 0 GIADLO COc1cc(C)ccc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000122727947 823401521 /nfs/dbraw/zinc/40/15/21/823401521.db2.gz LSCHCSCQKCRIEQ-CTNGQTDRSA-N 1 2 376.460 4.250 20 0 GIADLO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C)c1ccccc1F ZINC000572863334 823410849 /nfs/dbraw/zinc/41/08/49/823410849.db2.gz ZPDOXQGNVJZQCF-NJDAHSKKSA-N 1 2 379.479 4.484 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1C ZINC000058616404 823417411 /nfs/dbraw/zinc/41/74/11/823417411.db2.gz LPJDDIHMSIHSMU-UHFFFAOYSA-N 1 2 397.397 4.312 20 0 GIADLO CCCOc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OCCC ZINC000122816814 823417674 /nfs/dbraw/zinc/41/76/74/823417674.db2.gz BEUIZMTWASYQBX-HKUYNNGSSA-N 1 2 385.508 4.184 20 0 GIADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000410212576 823421529 /nfs/dbraw/zinc/42/15/29/823421529.db2.gz BNXVYJYJTHTRMU-IBGZPJMESA-N 1 2 391.515 4.447 20 0 GIADLO Cc1cc(CCCC(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c(C)s1 ZINC000177285978 823421726 /nfs/dbraw/zinc/42/17/26/823421726.db2.gz JAESIVZTNKRUJG-UHFFFAOYSA-N 1 2 386.561 4.467 20 0 GIADLO CC[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000460534247 823422904 /nfs/dbraw/zinc/42/29/04/823422904.db2.gz ZXUQWLJDGQLXOZ-JOCHJYFZSA-N 1 2 390.531 4.487 20 0 GIADLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177297952 823425145 /nfs/dbraw/zinc/42/51/45/823425145.db2.gz HXOBOVWECIVPOH-LJQANCHMSA-N 1 2 381.476 4.147 20 0 GIADLO CC(C)Oc1cccc(CN(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000122878109 823427761 /nfs/dbraw/zinc/42/77/61/823427761.db2.gz CNTQAZQKAIXJKU-UHFFFAOYSA-N 1 2 392.503 4.060 20 0 GIADLO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410251308 823434465 /nfs/dbraw/zinc/43/44/65/823434465.db2.gz XQYLXKNLXUSTMT-UHFFFAOYSA-N 1 2 389.377 4.102 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(c1ccccc1)c1ccccc1 ZINC000024754009 819874232 /nfs/dbraw/zinc/87/42/32/819874232.db2.gz BRBXIUJNTUBNGL-UHFFFAOYSA-N 1 2 381.479 4.380 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)s1 ZINC000573048781 823440227 /nfs/dbraw/zinc/44/02/27/823440227.db2.gz TYFYALFQUUIKTQ-GFCCVEGCSA-N 1 2 378.460 4.414 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)s1 ZINC000573048781 823440230 /nfs/dbraw/zinc/44/02/30/823440230.db2.gz TYFYALFQUUIKTQ-GFCCVEGCSA-N 1 2 378.460 4.414 20 0 GIADLO C[C@@H](Sc1ccccc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000024886793 819889087 /nfs/dbraw/zinc/88/90/87/819889087.db2.gz XOKGRDXCVZZQHS-LSDHHAIUSA-N 1 2 375.563 4.494 20 0 GIADLO C[C@@H](Sc1ccccc1)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000024886793 819889096 /nfs/dbraw/zinc/88/90/96/819889096.db2.gz XOKGRDXCVZZQHS-LSDHHAIUSA-N 1 2 375.563 4.494 20 0 GIADLO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410256673 823436287 /nfs/dbraw/zinc/43/62/87/823436287.db2.gz NXUKKRYTUKPREU-OAHLLOKOSA-N 1 2 392.330 4.475 20 0 GIADLO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410257765 823436716 /nfs/dbraw/zinc/43/67/16/823436716.db2.gz SFOGWGIWDGQQPD-FUHWJXTLSA-N 1 2 385.939 4.458 20 0 GIADLO Cn1c(-c2ccccc2)cn(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1=S ZINC000024979051 819903517 /nfs/dbraw/zinc/90/35/17/819903517.db2.gz GTXMSRTWPXUGSQ-UHFFFAOYSA-N 1 2 381.501 4.084 20 0 GIADLO Cn1c(-c2ccccc2)cn(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1=S ZINC000024979051 819903523 /nfs/dbraw/zinc/90/35/23/819903523.db2.gz GTXMSRTWPXUGSQ-UHFFFAOYSA-N 1 2 381.501 4.084 20 0 GIADLO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000189526589 823437484 /nfs/dbraw/zinc/43/74/84/823437484.db2.gz NGZQXHWNVARGTG-UHFFFAOYSA-N 1 2 392.381 4.028 20 0 GIADLO COc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc12 ZINC000410265711 823440697 /nfs/dbraw/zinc/44/06/97/823440697.db2.gz ODVLHZNEGXPRJY-QGZVFWFLSA-N 1 2 389.499 4.401 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](Cc2cc3ccccc3nc2Cl)C2CC2)cc1 ZINC000025191735 819941251 /nfs/dbraw/zinc/94/12/51/819941251.db2.gz LMESOPXPCKNXST-UHFFFAOYSA-N 1 2 379.891 4.412 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](Cc2cc3ccccc3nc2Cl)C2CC2)cc1 ZINC000025191735 819941257 /nfs/dbraw/zinc/94/12/57/819941257.db2.gz LMESOPXPCKNXST-UHFFFAOYSA-N 1 2 379.891 4.412 20 0 GIADLO O=C(Cc1csc2ccccc12)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410264286 823440027 /nfs/dbraw/zinc/44/00/27/823440027.db2.gz GVBLSGSIPFPNJF-INIZCTEOSA-N 1 2 379.529 4.383 20 0 GIADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025257548 819951589 /nfs/dbraw/zinc/95/15/89/819951589.db2.gz ULBSIIGFZZTPTH-CYBMUJFWSA-N 1 2 384.373 4.492 20 0 GIADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025257548 819951596 /nfs/dbraw/zinc/95/15/96/819951596.db2.gz ULBSIIGFZZTPTH-CYBMUJFWSA-N 1 2 384.373 4.492 20 0 GIADLO COc1ccc(CCCCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410267055 823441087 /nfs/dbraw/zinc/44/10/87/823441087.db2.gz FOYGHIDRLYMFJR-HXUWFJFHSA-N 1 2 395.547 4.347 20 0 GIADLO O=C([C@H]1CCOc2ccc(Cl)cc21)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410268035 823441733 /nfs/dbraw/zinc/44/17/33/823441733.db2.gz ABWOHJFGNHTIGQ-YJBOKZPZSA-N 1 2 399.922 4.145 20 0 GIADLO CC(C)(C)O[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410270770 823442975 /nfs/dbraw/zinc/44/29/75/823442975.db2.gz RWOYCPCAZFPONV-CTNGQTDRSA-N 1 2 395.547 4.482 20 0 GIADLO O=C(CCc1cc(Cl)cs1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410274904 823444530 /nfs/dbraw/zinc/44/45/30/823444530.db2.gz GOVABDWJRCMOQG-CQSZACIVSA-N 1 2 377.941 4.273 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1csc(-c2ccc(F)cc2)n1 ZINC000025666171 820012645 /nfs/dbraw/zinc/01/26/45/820012645.db2.gz ZFCCHVKDRAZAKV-UHFFFAOYSA-N 1 2 392.459 4.124 20 0 GIADLO Cc1cc(CSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)no1 ZINC000025743869 820021116 /nfs/dbraw/zinc/02/11/16/820021116.db2.gz LPQZYFVPHXMNPZ-MRXNPFEDSA-N 1 2 383.521 4.403 20 0 GIADLO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410278402 823446019 /nfs/dbraw/zinc/44/60/19/823446019.db2.gz HZVOSHHBEWDKNO-UKAVVXHISA-N 1 2 387.568 4.299 20 0 GIADLO COc1ccc(-c2cncc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)c2)cc1 ZINC000123006059 823446986 /nfs/dbraw/zinc/44/69/86/823446986.db2.gz DHIWYRWTVVQTFJ-UHFFFAOYSA-N 1 2 388.402 4.334 20 0 GIADLO Cc1nc(Cc2nn(C[N@@H+]3CCC[C@H]3Cc3ccccc3)c(=S)o2)cs1 ZINC000026235701 820073260 /nfs/dbraw/zinc/07/32/60/820073260.db2.gz KHHDKPXWMIXAPP-KRWDZBQOSA-N 1 2 386.546 4.226 20 0 GIADLO Cc1nc(Cc2nn(C[N@H+]3CCC[C@H]3Cc3ccccc3)c(=S)o2)cs1 ZINC000026235701 820073265 /nfs/dbraw/zinc/07/32/65/820073265.db2.gz KHHDKPXWMIXAPP-KRWDZBQOSA-N 1 2 386.546 4.226 20 0 GIADLO Cc1nc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)cc2s1 ZINC000058781541 823450753 /nfs/dbraw/zinc/45/07/53/823450753.db2.gz FWUZCTPCITWMRQ-LJQANCHMSA-N 1 2 383.542 4.333 20 0 GIADLO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)c1nnc2ccccn21 ZINC000123033466 823451158 /nfs/dbraw/zinc/45/11/58/823451158.db2.gz SSHQHBXWUVCAPM-QGZVFWFLSA-N 1 2 388.519 4.122 20 0 GIADLO CC[C@@H](C)Oc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410291346 823451747 /nfs/dbraw/zinc/45/17/47/823451747.db2.gz NWOKZKSKRGNTMO-MJGOQNOKSA-N 1 2 381.520 4.417 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1OC(F)F ZINC000026452486 820098353 /nfs/dbraw/zinc/09/83/53/820098353.db2.gz MZOZTLAKYVBDEN-UHFFFAOYSA-N 1 2 384.810 4.021 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1OC(F)F ZINC000026452486 820098362 /nfs/dbraw/zinc/09/83/62/820098362.db2.gz MZOZTLAKYVBDEN-UHFFFAOYSA-N 1 2 384.810 4.021 20 0 GIADLO Cc1ncc(-c2ccc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)cc2)o1 ZINC000058792088 823452804 /nfs/dbraw/zinc/45/28/04/823452804.db2.gz CUDHDTAOLDEXJZ-OAQYLSRUSA-N 1 2 393.512 4.379 20 0 GIADLO CC(=O)Nc1cccc(-n2cnn(C[N@@H+]3CCC[C@@H]3c3ccccc3)c2=S)c1 ZINC000026554231 820113330 /nfs/dbraw/zinc/11/33/30/820113330.db2.gz IQDXHHXVCVMDKG-HXUWFJFHSA-N 1 2 393.516 4.156 20 0 GIADLO CC(=O)Nc1cccc(-n2cnn(C[N@H+]3CCC[C@@H]3c3ccccc3)c2=S)c1 ZINC000026554231 820113338 /nfs/dbraw/zinc/11/33/38/820113338.db2.gz IQDXHHXVCVMDKG-HXUWFJFHSA-N 1 2 393.516 4.156 20 0 GIADLO Cc1nc(-c2ccco2)ccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410298586 823455147 /nfs/dbraw/zinc/45/51/47/823455147.db2.gz GZBNWAPYWYEOTK-UHFFFAOYSA-N 1 2 390.487 4.355 20 0 GIADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc(Br)cs1 ZINC000573153056 823456178 /nfs/dbraw/zinc/45/61/78/823456178.db2.gz PUDQMJHZZVZPAD-JOCQHMNTSA-N 1 2 380.311 4.059 20 0 GIADLO C[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)Cc1ccc(Cl)s1 ZINC000026812195 820147626 /nfs/dbraw/zinc/14/76/26/820147626.db2.gz XFHHVVCXCHHMQL-UHFFFAOYSA-N 1 2 392.830 4.048 20 0 GIADLO C[N@@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)Cc1ccc(Cl)s1 ZINC000026812195 820147633 /nfs/dbraw/zinc/14/76/33/820147633.db2.gz XFHHVVCXCHHMQL-UHFFFAOYSA-N 1 2 392.830 4.048 20 0 GIADLO COc1cc([C@@H](C)[NH2+][C@H]2CSc3ccc(Br)cc32)c(F)cn1 ZINC000573156084 823456442 /nfs/dbraw/zinc/45/64/42/823456442.db2.gz USMITZOCXVKLEH-OTYXRUKQSA-N 1 2 383.286 4.489 20 0 GIADLO COc1cc([C@H](C)[NH2+][C@@H]2CSc3ccc(Br)cc32)c(F)cn1 ZINC000573156083 823456588 /nfs/dbraw/zinc/45/65/88/823456588.db2.gz USMITZOCXVKLEH-LKFCYVNXSA-N 1 2 383.286 4.489 20 0 GIADLO CCc1nc2cc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)ccc2o1 ZINC000058812374 823456908 /nfs/dbraw/zinc/45/69/08/823456908.db2.gz WJWQHADVZUQEJU-HXUWFJFHSA-N 1 2 381.501 4.119 20 0 GIADLO Cc1nc2cc(F)ccc2cc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410308099 823458758 /nfs/dbraw/zinc/45/87/58/823458758.db2.gz KEXBXMOVIZXNCJ-UHFFFAOYSA-N 1 2 392.478 4.388 20 0 GIADLO Cc1cccc(CSCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000410309615 823459037 /nfs/dbraw/zinc/45/90/37/823459037.db2.gz AFGGUJWYFOIQDU-UHFFFAOYSA-N 1 2 383.561 4.320 20 0 GIADLO Cc1ccc(OCCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1C ZINC000410312213 823460041 /nfs/dbraw/zinc/46/00/41/823460041.db2.gz PGIJSEWEDOBQNL-UHFFFAOYSA-N 1 2 381.520 4.164 20 0 GIADLO O=C(C[N@H+](Cc1cccs1)C1CC1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000027108283 820195172 /nfs/dbraw/zinc/19/51/72/820195172.db2.gz XPWJPYRJSJWPMW-SFHVURJKSA-N 1 2 395.484 4.276 20 0 GIADLO O=C(C[N@@H+](Cc1cccs1)C1CC1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000027108283 820195176 /nfs/dbraw/zinc/19/51/76/820195176.db2.gz XPWJPYRJSJWPMW-SFHVURJKSA-N 1 2 395.484 4.276 20 0 GIADLO O=C(COc1ccc2ccccc2c1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410315388 823460838 /nfs/dbraw/zinc/46/08/38/823460838.db2.gz ADIJRMROZQPSSX-UHFFFAOYSA-N 1 2 389.499 4.310 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027287592 820221258 /nfs/dbraw/zinc/22/12/58/820221258.db2.gz GCVVMXXTGJMXQE-UHFFFAOYSA-N 1 2 393.531 4.081 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027287592 820221265 /nfs/dbraw/zinc/22/12/65/820221265.db2.gz GCVVMXXTGJMXQE-UHFFFAOYSA-N 1 2 393.531 4.081 20 0 GIADLO Cc1cccc(Oc2ccc(NC(=O)NCC(C)(C)[NH+]3CCOCC3)cc2)c1 ZINC000058862072 823463770 /nfs/dbraw/zinc/46/37/70/823463770.db2.gz AIWNIRBDECLUTN-UHFFFAOYSA-N 1 2 383.492 4.020 20 0 GIADLO O=C(CSc1ccc(Cl)cc1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027473541 820248908 /nfs/dbraw/zinc/24/89/08/820248908.db2.gz ONZIVYWYOXZHNA-UHFFFAOYSA-N 1 2 385.920 4.036 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Cl)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000027536530 820257183 /nfs/dbraw/zinc/25/71/83/820257183.db2.gz MGEVQUOKDMRROC-OAHLLOKOSA-N 1 2 392.330 4.138 20 0 GIADLO C[N@H+](Cc1csc(-c2ccsc2)n1)Cc1ccccc1N1CCOCC1 ZINC000027552595 820259057 /nfs/dbraw/zinc/25/90/57/820259057.db2.gz IPVRNTNBWODIKD-UHFFFAOYSA-N 1 2 385.558 4.340 20 0 GIADLO C[N@@H+](Cc1csc(-c2ccsc2)n1)Cc1ccccc1N1CCOCC1 ZINC000027552595 820259061 /nfs/dbraw/zinc/25/90/61/820259061.db2.gz IPVRNTNBWODIKD-UHFFFAOYSA-N 1 2 385.558 4.340 20 0 GIADLO COc1ccc(OC)c(C[N@H+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C2CC2)c1 ZINC000027603877 820266348 /nfs/dbraw/zinc/26/63/48/820266348.db2.gz QGRFRQVYIQIZQC-SFHVURJKSA-N 1 2 396.531 4.162 20 0 GIADLO COc1ccc(OC)c(C[N@@H+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C2CC2)c1 ZINC000027603877 820266356 /nfs/dbraw/zinc/26/63/56/820266356.db2.gz QGRFRQVYIQIZQC-SFHVURJKSA-N 1 2 396.531 4.162 20 0 GIADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000027737390 820281564 /nfs/dbraw/zinc/28/15/64/820281564.db2.gz SMHMOWPADBUJGV-CQSZACIVSA-N 1 2 376.884 4.206 20 0 GIADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000027737390 820281572 /nfs/dbraw/zinc/28/15/72/820281572.db2.gz SMHMOWPADBUJGV-CQSZACIVSA-N 1 2 376.884 4.206 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cs1)c1ccc(F)cc1 ZINC000058908894 823469436 /nfs/dbraw/zinc/46/94/36/823469436.db2.gz RQCSTVIVWYHHAA-OAHLLOKOSA-N 1 2 399.495 4.070 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cs1)c1ccc(F)cc1 ZINC000058908894 823469440 /nfs/dbraw/zinc/46/94/40/823469440.db2.gz RQCSTVIVWYHHAA-OAHLLOKOSA-N 1 2 399.495 4.070 20 0 GIADLO CCc1nnc(CSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)o1 ZINC000028298263 820323160 /nfs/dbraw/zinc/32/31/60/820323160.db2.gz NTOKDXCEDQFHOQ-HNNXBMFYSA-N 1 2 398.536 4.052 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2cccc3cnccc32)no1 ZINC000573246339 823469807 /nfs/dbraw/zinc/46/98/07/823469807.db2.gz GHVKQBSXFLARMC-UHFFFAOYSA-N 1 2 377.354 4.269 20 0 GIADLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000028620051 820345504 /nfs/dbraw/zinc/34/55/04/820345504.db2.gz CNPHRCMVRILRAW-CYBMUJFWSA-N 1 2 381.530 4.184 20 0 GIADLO Cc1ccc(OCCCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000028683209 820350649 /nfs/dbraw/zinc/35/06/49/820350649.db2.gz NZIDSTSMBWCQNG-QGZVFWFLSA-N 1 2 387.549 4.481 20 0 GIADLO Cc1ccc(OCCCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000028683209 820350659 /nfs/dbraw/zinc/35/06/59/820350659.db2.gz NZIDSTSMBWCQNG-QGZVFWFLSA-N 1 2 387.549 4.481 20 0 GIADLO CC(C)CCOc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000028694864 820351848 /nfs/dbraw/zinc/35/18/48/820351848.db2.gz QYXLNELAAUMVEY-UHFFFAOYSA-N 1 2 377.488 4.286 20 0 GIADLO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123170597 823473240 /nfs/dbraw/zinc/47/32/40/823473240.db2.gz IXPMEWUMLHUSJC-RDTXWAMCSA-N 1 2 398.507 4.101 20 0 GIADLO COc1cccc(N[NH2+]C=C2c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000028806816 820359736 /nfs/dbraw/zinc/35/97/36/820359736.db2.gz QADBLUUGUDKJOA-PXLXIMEGSA-N 1 2 399.450 4.148 20 0 GIADLO CC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)cc1 ZINC000028835727 820361901 /nfs/dbraw/zinc/36/19/01/820361901.db2.gz JHTXLLCGCQHMGQ-UHFFFAOYSA-N 1 2 395.484 4.258 20 0 GIADLO CN(C)c1ccccc1C[N@H+](C)Cc1nc2ccc(Br)cc2n1C ZINC000573283899 823475443 /nfs/dbraw/zinc/47/54/43/823475443.db2.gz FGJSALIBEXGZCK-UHFFFAOYSA-N 1 2 387.325 4.034 20 0 GIADLO CN(C)c1ccccc1C[N@@H+](C)Cc1nc2ccc(Br)cc2n1C ZINC000573283899 823475446 /nfs/dbraw/zinc/47/54/46/823475446.db2.gz FGJSALIBEXGZCK-UHFFFAOYSA-N 1 2 387.325 4.034 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(-c2ccccc2Cl)on1 ZINC000029093142 820391857 /nfs/dbraw/zinc/39/18/57/820391857.db2.gz JFGYNBFOTIMLAX-UHFFFAOYSA-N 1 2 392.846 4.170 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(SC)cc2)c(OC)c1 ZINC000029117137 820395425 /nfs/dbraw/zinc/39/54/25/820395425.db2.gz QYHQGKTZXIBYCT-IBGZPJMESA-N 1 2 386.517 4.201 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(SC)cc2)c(OC)c1 ZINC000029117137 820395432 /nfs/dbraw/zinc/39/54/32/820395432.db2.gz QYHQGKTZXIBYCT-IBGZPJMESA-N 1 2 386.517 4.201 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(-c3ccccc3Cl)on2)c1C ZINC000058958099 823476043 /nfs/dbraw/zinc/47/60/43/823476043.db2.gz JCPNICNMDHJJAN-UHFFFAOYSA-N 1 2 385.851 4.288 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCOc2ccc(Cl)c(Cl)c2)c1C ZINC000058956885 823476059 /nfs/dbraw/zinc/47/60/59/823476059.db2.gz IUOVOZLCELCQGT-UHFFFAOYSA-N 1 2 397.302 4.441 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000123188209 823476233 /nfs/dbraw/zinc/47/62/33/823476233.db2.gz PLYSHMISGBGZRN-ZBFHGGJFSA-N 1 2 392.484 4.476 20 0 GIADLO COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058958981 823476345 /nfs/dbraw/zinc/47/63/45/823476345.db2.gz FLQBMRCRPBCIOF-SFHVURJKSA-N 1 2 382.504 4.184 20 0 GIADLO Cc1ccn(C)c1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000189707964 823479766 /nfs/dbraw/zinc/47/97/66/823479766.db2.gz RMFJAIHPQOKIAJ-UHFFFAOYSA-N 1 2 384.483 4.175 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000410387265 823483355 /nfs/dbraw/zinc/48/33/55/823483355.db2.gz YQSLETBYAVATAI-BIBXISHDSA-N 1 2 389.833 4.328 20 0 GIADLO C[C@H](c1nc(C(C)(C)C)no1)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000029692521 820498567 /nfs/dbraw/zinc/49/85/67/820498567.db2.gz MOTWNEPDWWVKBV-HUUCEWRRSA-N 1 2 376.932 4.460 20 0 GIADLO C[C@H](c1ccccc1Cl)[NH+]1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000029692526 820498751 /nfs/dbraw/zinc/49/87/51/820498751.db2.gz MOTWNEPDWWVKBV-CABCVRRESA-N 1 2 376.932 4.460 20 0 GIADLO C[C@H]([NH2+][C@H](c1nccs1)c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000123247678 823484610 /nfs/dbraw/zinc/48/46/10/823484610.db2.gz QDEQVYJJKAKJRZ-NYVOZVTQSA-N 1 2 393.556 4.112 20 0 GIADLO Cc1ccc(-c2nc(C[NH+]3CCC(NC(=O)c4ccc(F)cc4)CC3)cs2)o1 ZINC000029720691 820506596 /nfs/dbraw/zinc/50/65/96/820506596.db2.gz QHIQFMLRRZBMAY-UHFFFAOYSA-N 1 2 399.491 4.245 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)CC3c4ccccc4Oc4ccccc43)sc2C1 ZINC000029756506 820511324 /nfs/dbraw/zinc/51/13/24/820511324.db2.gz ZALOTKZCQWNOKJ-UHFFFAOYSA-N 1 2 391.496 4.397 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)CC3c4ccccc4Oc4ccccc43)sc2C1 ZINC000029756506 820511331 /nfs/dbraw/zinc/51/13/31/820511331.db2.gz ZALOTKZCQWNOKJ-UHFFFAOYSA-N 1 2 391.496 4.397 20 0 GIADLO O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029807023 820522199 /nfs/dbraw/zinc/52/21/99/820522199.db2.gz DBEQLLLMXJHARQ-BQYQJAHWSA-N 1 2 392.890 4.213 20 0 GIADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000029862059 820534744 /nfs/dbraw/zinc/53/47/44/820534744.db2.gz UOTXKGIDZXDGRD-UHFFFAOYSA-N 1 2 395.286 4.225 20 0 GIADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000029862059 820534753 /nfs/dbraw/zinc/53/47/53/820534753.db2.gz UOTXKGIDZXDGRD-UHFFFAOYSA-N 1 2 395.286 4.225 20 0 GIADLO CC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000189751463 823487917 /nfs/dbraw/zinc/48/79/17/823487917.db2.gz DNNFUKYXSSGEEH-VQTJNVASSA-N 1 2 387.430 4.043 20 0 GIADLO CC(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000189751463 823487920 /nfs/dbraw/zinc/48/79/20/823487920.db2.gz DNNFUKYXSSGEEH-VQTJNVASSA-N 1 2 387.430 4.043 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3ncco3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189753348 823488242 /nfs/dbraw/zinc/48/82/42/823488242.db2.gz YJRMTYHWWQDWGQ-MOPGFXCFSA-N 1 2 398.413 4.187 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3ncco3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189753348 823488243 /nfs/dbraw/zinc/48/82/43/823488243.db2.gz YJRMTYHWWQDWGQ-MOPGFXCFSA-N 1 2 398.413 4.187 20 0 GIADLO O=C(COc1ccccc1Cc1ccccc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029951402 820555779 /nfs/dbraw/zinc/55/57/79/820555779.db2.gz KCYVFOXXPSQPNQ-UHFFFAOYSA-N 1 2 383.451 4.481 20 0 GIADLO COc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1OCCC(C)C ZINC000123272322 823488721 /nfs/dbraw/zinc/48/87/21/823488721.db2.gz NFXGGLXGCYSZGN-HKUYNNGSSA-N 1 2 385.508 4.040 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccncc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189755498 823488805 /nfs/dbraw/zinc/48/88/05/823488805.db2.gz CPRSANWZKXJTGJ-MSOLQXFVSA-N 1 2 376.863 4.140 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccncc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189755498 823488806 /nfs/dbraw/zinc/48/88/06/823488806.db2.gz CPRSANWZKXJTGJ-MSOLQXFVSA-N 1 2 376.863 4.140 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2ccc3c(c2)CCCC3)C[C@H](C)O1 ZINC000059308585 823491074 /nfs/dbraw/zinc/49/10/74/823491074.db2.gz NXDGVMSVEOFUFE-KDURUIRLSA-N 1 2 392.543 4.356 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2ccc3c(c2)CCCC3)C[C@H](C)O1 ZINC000059308585 823491076 /nfs/dbraw/zinc/49/10/76/823491076.db2.gz NXDGVMSVEOFUFE-KDURUIRLSA-N 1 2 392.543 4.356 20 0 GIADLO COC[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)c1ccc(C)o1 ZINC000177566803 823492833 /nfs/dbraw/zinc/49/28/33/823492833.db2.gz JEIFJJRBFMDUNO-KRWDZBQOSA-N 1 2 390.281 4.014 20 0 GIADLO COC[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)c1ccc(C)o1 ZINC000177567760 823492860 /nfs/dbraw/zinc/49/28/60/823492860.db2.gz AFXSUCKBKPJWMR-OAQYLSRUSA-N 1 2 394.471 4.326 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(Cl)nc(Cl)c3)n2)C1 ZINC000030580810 820645094 /nfs/dbraw/zinc/64/50/94/820645094.db2.gz DGGMRLMXVVCNGQ-SNVBAGLBSA-N 1 2 385.320 4.329 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(Cl)nc(Cl)c3)n2)C1 ZINC000030580810 820645099 /nfs/dbraw/zinc/64/50/99/820645099.db2.gz DGGMRLMXVVCNGQ-SNVBAGLBSA-N 1 2 385.320 4.329 20 0 GIADLO Cc1ccc(-c2nc(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)cs2)cc1 ZINC000030584701 820645987 /nfs/dbraw/zinc/64/59/87/820645987.db2.gz HKFUTYRYCIOIAP-UHFFFAOYSA-N 1 2 388.496 4.293 20 0 GIADLO Clc1cc(Cl)c2nc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)cn2c1 ZINC000177586427 823496715 /nfs/dbraw/zinc/49/67/15/823496715.db2.gz DQUBTBJOXMTHTG-QGZVFWFLSA-N 1 2 398.334 4.191 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000177588312 823497103 /nfs/dbraw/zinc/49/71/03/823497103.db2.gz CEPWYKAZQOUUEK-DYVFJYSZSA-N 1 2 395.429 4.083 20 0 GIADLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000030960099 820711510 /nfs/dbraw/zinc/71/15/10/820711510.db2.gz FQDFEIKDFQVZSW-UHFFFAOYSA-N 1 2 382.504 4.284 20 0 GIADLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000030960099 820711516 /nfs/dbraw/zinc/71/15/16/820711516.db2.gz FQDFEIKDFQVZSW-UHFFFAOYSA-N 1 2 382.504 4.284 20 0 GIADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000030974114 820713841 /nfs/dbraw/zinc/71/38/41/820713841.db2.gz LPGWFYZSZDLYLI-KBPBESRZSA-N 1 2 379.298 4.048 20 0 GIADLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030974114 820713847 /nfs/dbraw/zinc/71/38/47/820713847.db2.gz LPGWFYZSZDLYLI-KBPBESRZSA-N 1 2 379.298 4.048 20 0 GIADLO O=C(NCc1ccccc1F)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031092471 820738299 /nfs/dbraw/zinc/73/82/99/820738299.db2.gz GTVPLUDNODQTHZ-SFHVURJKSA-N 1 2 393.865 4.255 20 0 GIADLO CCC(CC)n1nccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000123390228 823504558 /nfs/dbraw/zinc/50/45/58/823504558.db2.gz YAAQKMZKWBAEAF-UHFFFAOYSA-N 1 2 375.542 4.185 20 0 GIADLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177632315 823504924 /nfs/dbraw/zinc/50/49/24/823504924.db2.gz SRFCJZZICLAHPF-GFCCVEGCSA-N 1 2 384.282 4.006 20 0 GIADLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177632315 823504927 /nfs/dbraw/zinc/50/49/27/823504927.db2.gz SRFCJZZICLAHPF-GFCCVEGCSA-N 1 2 384.282 4.006 20 0 GIADLO C[N@H+](CCSc1ccccc1F)CC(=O)Nc1ccccc1Br ZINC000031205833 820769049 /nfs/dbraw/zinc/76/90/49/820769049.db2.gz DGXIVGJCTLKVSJ-UHFFFAOYSA-N 1 2 397.313 4.251 20 0 GIADLO C[N@@H+](CCSc1ccccc1F)CC(=O)Nc1ccccc1Br ZINC000031205833 820769053 /nfs/dbraw/zinc/76/90/53/820769053.db2.gz DGXIVGJCTLKVSJ-UHFFFAOYSA-N 1 2 397.313 4.251 20 0 GIADLO CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000060046843 823505843 /nfs/dbraw/zinc/50/58/43/823505843.db2.gz NPQUWCHLSNYENJ-INIZCTEOSA-N 1 2 381.451 4.220 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)c1nnnn1C1CCCCC1 ZINC000189857624 823506688 /nfs/dbraw/zinc/50/66/88/823506688.db2.gz AECJVYNIILSQSK-CHWSQXEVSA-N 1 2 383.418 4.489 20 0 GIADLO O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NCCc1cn2c([nH+]1)CCCC2 ZINC000460768836 823507239 /nfs/dbraw/zinc/50/72/39/823507239.db2.gz GNFDDMMYUUVWJK-JOCHJYFZSA-N 1 2 387.527 4.295 20 0 GIADLO O=C(Cc1ccccc1F)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895445 820871622 /nfs/dbraw/zinc/87/16/22/820871622.db2.gz OWGWWOYJOUEIMU-SFHVURJKSA-N 1 2 378.850 4.114 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1c(Cl)nccc1C(F)(F)F ZINC000123478716 823513151 /nfs/dbraw/zinc/51/31/51/823513151.db2.gz XTNLOEXPFXLZJU-UHFFFAOYSA-N 1 2 398.816 4.069 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(Cl)cc2-n2cccn2)c1C ZINC000189938428 823515897 /nfs/dbraw/zinc/51/58/97/823515897.db2.gz XOUQVQMWCXLMHI-UHFFFAOYSA-N 1 2 399.882 4.210 20 0 GIADLO O=S(=O)(c1cccc2cccnc21)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000177717437 823516242 /nfs/dbraw/zinc/51/62/42/823516242.db2.gz QLJDVPKJGRIDOH-UHFFFAOYSA-N 1 2 375.453 4.025 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000177732030 823518178 /nfs/dbraw/zinc/51/81/78/823518178.db2.gz KYTSRYRSXKXTHB-UOXLDJKESA-N 1 2 399.343 4.362 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000177732030 823518180 /nfs/dbraw/zinc/51/81/80/823518180.db2.gz KYTSRYRSXKXTHB-UOXLDJKESA-N 1 2 399.343 4.362 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000177727287 823517502 /nfs/dbraw/zinc/51/75/02/823517502.db2.gz BQRDJXNWOHBNMS-CHAGWJKLSA-N 1 2 386.561 4.353 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000177727287 823517504 /nfs/dbraw/zinc/51/75/04/823517504.db2.gz BQRDJXNWOHBNMS-CHAGWJKLSA-N 1 2 386.561 4.353 20 0 GIADLO Fc1ccc(-c2nc(CN3CC[NH+](Cc4ccccc4F)CC3)cs2)cc1 ZINC000032775233 821006997 /nfs/dbraw/zinc/00/69/97/821006997.db2.gz ZJXPGRFDYGLQNS-UHFFFAOYSA-N 1 2 385.483 4.406 20 0 GIADLO C[NH+](C)[C@H](CNC(=O)c1ccccc1C(=O)c1cccs1)c1ccsc1 ZINC000033047446 821027974 /nfs/dbraw/zinc/02/79/74/821027974.db2.gz SFXNTAMCABEJBR-QGZVFWFLSA-N 1 2 384.526 4.073 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000177768688 823523470 /nfs/dbraw/zinc/52/34/70/823523470.db2.gz HEOILSQLSKEFEO-KRWDZBQOSA-N 1 2 399.292 4.144 20 0 GIADLO OC1(c2c(F)cccc2F)CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000190023699 823527497 /nfs/dbraw/zinc/52/74/97/823527497.db2.gz RSWFTOITNPYRGL-UHFFFAOYSA-N 1 2 389.414 4.497 20 0 GIADLO C[C@H]1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)C[C@H]1n1cc[nH+]c1 ZINC000123631365 823527669 /nfs/dbraw/zinc/52/76/69/823527669.db2.gz WYKNDLRTYKMBGG-SUMWQHHRSA-N 1 2 386.908 4.383 20 0 GIADLO CC(C)CNC(=O)c1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000035853495 821067169 /nfs/dbraw/zinc/06/71/69/821067169.db2.gz HKINPLQRCUXXFR-UHFFFAOYSA-N 1 2 385.939 4.048 20 0 GIADLO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)C1 ZINC000190039713 823529666 /nfs/dbraw/zinc/52/96/66/823529666.db2.gz XGEYDAZALUQVBG-YRNRMSPPSA-N 1 2 380.467 4.362 20 0 GIADLO CCCCc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000038229604 821095350 /nfs/dbraw/zinc/09/53/50/821095350.db2.gz PAYCJGAZVCFDGO-UHFFFAOYSA-N 1 2 397.588 4.348 20 0 GIADLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1Cl ZINC000038630783 821098269 /nfs/dbraw/zinc/09/82/69/821098269.db2.gz WVSDVEHQUGQPEA-FQEVSTJZSA-N 1 2 388.920 4.074 20 0 GIADLO Cn1ccc2cccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccc(F)c(F)c3)c21 ZINC000190012391 823525852 /nfs/dbraw/zinc/52/58/52/823525852.db2.gz AXIHEQHBKOYIQY-UYAOXDASSA-N 1 2 384.430 4.023 20 0 GIADLO Cn1ccc2cccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccc(F)c(F)c3)c21 ZINC000190012391 823525855 /nfs/dbraw/zinc/52/58/55/823525855.db2.gz AXIHEQHBKOYIQY-UYAOXDASSA-N 1 2 384.430 4.023 20 0 GIADLO CC(=O)Nc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc(C(F)(F)F)c1 ZINC000123615383 823526137 /nfs/dbraw/zinc/52/61/37/823526137.db2.gz FFXIOEWIAWNMGX-UHFFFAOYSA-N 1 2 388.349 4.102 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc2ccn(C)c21 ZINC000190018709 823526700 /nfs/dbraw/zinc/52/67/00/823526700.db2.gz QEZPWSGJVOUTOE-UHFFFAOYSA-N 1 2 391.519 4.344 20 0 GIADLO OC1(c2c(F)cccc2F)CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000190023274 823527246 /nfs/dbraw/zinc/52/72/46/823527246.db2.gz BZPHEUZMEGGOOK-UHFFFAOYSA-N 1 2 387.348 4.189 20 0 GIADLO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000177845392 823535316 /nfs/dbraw/zinc/53/53/16/823535316.db2.gz RIBJRVGPQZWWIO-UYAOXDASSA-N 1 2 390.487 4.372 20 0 GIADLO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000177845402 823535370 /nfs/dbraw/zinc/53/53/70/823535370.db2.gz RIBJRVGPQZWWIO-AZUAARDMSA-N 1 2 390.487 4.372 20 0 GIADLO CCc1ccccc1NC(=O)CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000060465017 823531028 /nfs/dbraw/zinc/53/10/28/823531028.db2.gz JIVGRNVTGRMEPH-QGZVFWFLSA-N 1 2 385.939 4.220 20 0 GIADLO Cc1cccc(NC(=O)CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1C ZINC000060465116 823531104 /nfs/dbraw/zinc/53/11/04/823531104.db2.gz ZASKEGONWBLJOZ-GOSISDBHSA-N 1 2 385.939 4.274 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(-c3ccccc3)o2)c1C ZINC000060549863 823541222 /nfs/dbraw/zinc/54/12/22/823541222.db2.gz JMMFQGUZBFPANO-UHFFFAOYSA-N 1 2 379.460 4.309 20 0 GIADLO CC[C@H]1CCC[N@H+](Cn2nc(Nc3cccc(NC(C)=O)c3)sc2=S)C1 ZINC000042095468 821264418 /nfs/dbraw/zinc/26/44/18/821264418.db2.gz RDYUTEUYNBAWAE-AWEZNQCLSA-N 1 2 391.566 4.456 20 0 GIADLO CC[C@H]1CCC[N@@H+](Cn2nc(Nc3cccc(NC(C)=O)c3)sc2=S)C1 ZINC000042095468 821264428 /nfs/dbraw/zinc/26/44/28/821264428.db2.gz RDYUTEUYNBAWAE-AWEZNQCLSA-N 1 2 391.566 4.456 20 0 GIADLO CCOC(=O)C1CC[NH+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000042248009 821291206 /nfs/dbraw/zinc/29/12/06/821291206.db2.gz SRKDFKMDHUAMJR-GFCCVEGCSA-N 1 2 397.397 4.092 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]3c3ccc(F)cc3)cn2c1 ZINC000042465442 821307659 /nfs/dbraw/zinc/30/76/59/821307659.db2.gz LRWWQKGQYFAOSL-LJQANCHMSA-N 1 2 383.492 4.379 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)NCCCO[C@H](C)c3ccccc3)cn2c1 ZINC000042471166 821307889 /nfs/dbraw/zinc/30/78/89/821307889.db2.gz JMYXOSFGJGKDII-GOSISDBHSA-N 1 2 397.544 4.160 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000042531890 821309904 /nfs/dbraw/zinc/30/99/04/821309904.db2.gz POIGUZKGXXTBPH-QGZVFWFLSA-N 1 2 385.577 4.018 20 0 GIADLO CCCc1ccc([C@@H](NC(=O)NCCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000042899133 821343428 /nfs/dbraw/zinc/34/34/28/821343428.db2.gz TYGRKTGFFFULOQ-HXUWFJFHSA-N 1 2 382.533 4.376 20 0 GIADLO CCCc1nc(C)c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)s1 ZINC000042847074 821336491 /nfs/dbraw/zinc/33/64/91/821336491.db2.gz HOKCFQKONDPJTP-UHFFFAOYSA-N 1 2 378.567 4.345 20 0 GIADLO O=C(NC(c1ccccc1)c1ccccc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000043003063 821354106 /nfs/dbraw/zinc/35/41/06/821354106.db2.gz JAIKJVASOVUHKQ-UHFFFAOYSA-N 1 2 386.499 4.139 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2nc(C)cs2)cc1 ZINC000043258860 821381212 /nfs/dbraw/zinc/38/12/12/821381212.db2.gz BNWFGZRUJQHNEQ-UHFFFAOYSA-N 1 2 399.520 4.171 20 0 GIADLO O=C(N[C@@H](CC1CCC1)c1ccccc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000180675644 821391339 /nfs/dbraw/zinc/39/13/39/821391339.db2.gz WNHQHFYYEZJRLE-NRFANRHFSA-N 1 2 378.520 4.281 20 0 GIADLO CC[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1OC ZINC000043500670 821419306 /nfs/dbraw/zinc/41/93/06/821419306.db2.gz XOUCXYOOPNQMDM-QGZVFWFLSA-N 1 2 388.537 4.410 20 0 GIADLO CN(Cc1ccc(F)c(F)c1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043500782 821419358 /nfs/dbraw/zinc/41/93/58/821419358.db2.gz AOQDPJUMNSIDPG-UHFFFAOYSA-N 1 2 380.464 4.071 20 0 GIADLO CCN(Cc1cccc(F)c1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517328 821421237 /nfs/dbraw/zinc/42/12/37/821421237.db2.gz SRDIETHITJUQBC-UHFFFAOYSA-N 1 2 376.501 4.322 20 0 GIADLO COc1ccccc1CN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000043546420 821423999 /nfs/dbraw/zinc/42/39/99/821423999.db2.gz LCUOQCYZNASDMB-HNNXBMFYSA-N 1 2 388.537 4.048 20 0 GIADLO COc1ccccc1CN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000043546420 821424005 /nfs/dbraw/zinc/42/40/05/821424005.db2.gz LCUOQCYZNASDMB-HNNXBMFYSA-N 1 2 388.537 4.048 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3cccc(C(C)C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000043551666 821425888 /nfs/dbraw/zinc/42/58/88/821425888.db2.gz YNKPEYWSJDTZBB-UHFFFAOYSA-N 1 2 381.524 4.386 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)cc1 ZINC000043643413 821435277 /nfs/dbraw/zinc/43/52/77/821435277.db2.gz PSTDBWZNTSCNMV-ZDUSSCGKSA-N 1 2 378.394 4.367 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)cc1 ZINC000043643413 821435281 /nfs/dbraw/zinc/43/52/81/821435281.db2.gz PSTDBWZNTSCNMV-ZDUSSCGKSA-N 1 2 378.394 4.367 20 0 GIADLO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180753431 821435430 /nfs/dbraw/zinc/43/54/30/821435430.db2.gz ZTJXNZVUSAGZBN-SJLPKXTDSA-N 1 2 379.863 4.038 20 0 GIADLO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180753431 821435434 /nfs/dbraw/zinc/43/54/34/821435434.db2.gz ZTJXNZVUSAGZBN-SJLPKXTDSA-N 1 2 379.863 4.038 20 0 GIADLO O=C(Nc1cccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1)C1CCC1 ZINC000043753823 821453671 /nfs/dbraw/zinc/45/36/71/821453671.db2.gz CFRLBUOYYVQFST-UHFFFAOYSA-N 1 2 398.470 4.166 20 0 GIADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000180791010 821460142 /nfs/dbraw/zinc/46/01/42/821460142.db2.gz KTDUDOXEDOJWEF-HXOBKFHXSA-N 1 2 391.540 4.310 20 0 GIADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000180791010 821460149 /nfs/dbraw/zinc/46/01/49/821460149.db2.gz KTDUDOXEDOJWEF-HXOBKFHXSA-N 1 2 391.540 4.310 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(-n2cccn2)cc1 ZINC000180816432 821476470 /nfs/dbraw/zinc/47/64/70/821476470.db2.gz GLFTXBOCWLFMBY-GFCCVEGCSA-N 1 2 399.376 4.190 20 0 GIADLO O=C(NCCn1cc[nH+]c1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000043947661 821493391 /nfs/dbraw/zinc/49/33/91/821493391.db2.gz SUTZSVQANMBJOL-UHFFFAOYSA-N 1 2 376.847 4.182 20 0 GIADLO CCOc1ccc([C@H]([NH2+][C@H](C)CS(=O)(=O)CC)c2ccccc2Cl)cc1 ZINC000180893784 821520030 /nfs/dbraw/zinc/52/00/30/821520030.db2.gz KJDHHACQQQEXIF-QRWLVFNGSA-N 1 2 395.952 4.241 20 0 GIADLO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000044465075 821587815 /nfs/dbraw/zinc/58/78/15/821587815.db2.gz WDWYZQVHRLPYFJ-KRWDZBQOSA-N 1 2 381.520 4.063 20 0 GIADLO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000044465077 821587862 /nfs/dbraw/zinc/58/78/62/821587862.db2.gz WDWYZQVHRLPYFJ-QGZVFWFLSA-N 1 2 381.520 4.063 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C)c(O)c1 ZINC000181044283 821609288 /nfs/dbraw/zinc/60/92/88/821609288.db2.gz JAQZEYXCIKAZRO-UHFFFAOYSA-N 1 2 393.487 4.029 20 0 GIADLO COc1cccc(COCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000044567173 821609757 /nfs/dbraw/zinc/60/97/57/821609757.db2.gz LHOMPPXILMLZKQ-UHFFFAOYSA-N 1 2 391.471 4.050 20 0 GIADLO C[C@H](OCc1ccccc1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568193 821610287 /nfs/dbraw/zinc/61/02/87/821610287.db2.gz QGGXDKRPJVSSDV-KRWDZBQOSA-N 1 2 375.472 4.430 20 0 GIADLO COc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000044567854 821610355 /nfs/dbraw/zinc/61/03/55/821610355.db2.gz LWMMGEDOGNZREB-MRXNPFEDSA-N 1 2 391.471 4.301 20 0 GIADLO CC(C)(C)[C@@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc(F)c1 ZINC000181073532 821619054 /nfs/dbraw/zinc/61/90/54/821619054.db2.gz SJTPIRDEWHVYQA-IBGZPJMESA-N 1 2 383.423 4.481 20 0 GIADLO CCc1nnc(C[NH2+][C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)o1 ZINC000181140215 821658732 /nfs/dbraw/zinc/65/87/32/821658732.db2.gz SWRBNULIPDJXCU-GOSISDBHSA-N 1 2 381.476 4.031 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1nc(-c2cccs2)no1 ZINC000181322527 821758461 /nfs/dbraw/zinc/75/84/61/821758461.db2.gz NVSHSBFIQKAFOV-CHWSQXEVSA-N 1 2 384.461 4.167 20 0 GIADLO CN(C(=O)C[N@H+](Cc1ccccn1)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000181337912 821769097 /nfs/dbraw/zinc/76/90/97/821769097.db2.gz ZTDXRQMWERXDMC-UHFFFAOYSA-N 1 2 385.511 4.294 20 0 GIADLO CN(C(=O)C[N@@H+](Cc1ccccn1)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000181337912 821769100 /nfs/dbraw/zinc/76/91/00/821769100.db2.gz ZTDXRQMWERXDMC-UHFFFAOYSA-N 1 2 385.511 4.294 20 0 GIADLO Cc1cc(-c2noc(C[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)n2)ccc1F ZINC000181341701 821773053 /nfs/dbraw/zinc/77/30/53/821773053.db2.gz HHXKJZACDNBPMO-OAHLLOKOSA-N 1 2 394.450 4.162 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181346175 821776324 /nfs/dbraw/zinc/77/63/24/821776324.db2.gz UDZPCBZFUDVLJU-AWEZNQCLSA-N 1 2 396.878 4.368 20 0 GIADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000181364723 821789747 /nfs/dbraw/zinc/78/97/47/821789747.db2.gz CZGVCQIIMDMTOK-UHFFFAOYSA-N 1 2 378.303 4.011 20 0 GIADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181364723 821789752 /nfs/dbraw/zinc/78/97/52/821789752.db2.gz CZGVCQIIMDMTOK-UHFFFAOYSA-N 1 2 378.303 4.011 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1nc(Cc2ccccc2)no1 ZINC000181389136 821800974 /nfs/dbraw/zinc/80/09/74/821800974.db2.gz LETALDYMBNWMCI-IRXDYDNUSA-N 1 2 390.487 4.199 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc2cc(Br)ccc2o1 ZINC000181408878 821810022 /nfs/dbraw/zinc/81/00/22/821810022.db2.gz OTVFHSRWZOMFAR-GFCCVEGCSA-N 1 2 389.297 4.364 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000181562036 821881622 /nfs/dbraw/zinc/88/16/22/821881622.db2.gz GTXUEGZIEOZPSF-NSHDSACASA-N 1 2 391.397 4.195 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000181575116 821885427 /nfs/dbraw/zinc/88/54/27/821885427.db2.gz WJYLJZQFHFKGHS-AZUAARDMSA-N 1 2 390.478 4.006 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000181575116 821885437 /nfs/dbraw/zinc/88/54/37/821885437.db2.gz WJYLJZQFHFKGHS-AZUAARDMSA-N 1 2 390.478 4.006 20 0 GIADLO COCCN(C(C)=O)c1nc(C[NH2+][C@H](C)c2cccc3ccccc32)cs1 ZINC000181660008 821928511 /nfs/dbraw/zinc/92/85/11/821928511.db2.gz WYRMJRWEYYUYCI-OAHLLOKOSA-N 1 2 383.517 4.146 20 0 GIADLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000181716771 821958530 /nfs/dbraw/zinc/95/85/30/821958530.db2.gz DKGHZOQJTMDUPB-QGZVFWFLSA-N 1 2 395.459 4.351 20 0 GIADLO COc1cc(F)c([C@H](C)[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cc1OC ZINC000181764442 821982552 /nfs/dbraw/zinc/98/25/52/821982552.db2.gz UQIOQICHAXMGBT-LBPRGKRZSA-N 1 2 391.393 4.158 20 0 GIADLO CCC[C@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccccc1 ZINC000181787169 821992055 /nfs/dbraw/zinc/99/20/55/821992055.db2.gz NLOJTJJOUCOPSD-SFHVURJKSA-N 1 2 398.507 4.238 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1cccc(N2CCCC2)c1 ZINC000181861944 822019742 /nfs/dbraw/zinc/01/97/42/822019742.db2.gz QJMLKJANTKULRJ-AWEZNQCLSA-N 1 2 384.430 4.466 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000181909972 822034765 /nfs/dbraw/zinc/03/47/65/822034765.db2.gz FNTDUKJEMJKQFS-AWEZNQCLSA-N 1 2 391.397 4.029 20 0 GIADLO O=S1(=O)CC[C@H]([N@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C2CC2)C1 ZINC000182090633 822089748 /nfs/dbraw/zinc/08/97/48/822089748.db2.gz NNBQTBCXFKUKEY-INIZCTEOSA-N 1 2 399.434 4.117 20 0 GIADLO O=S1(=O)CC[C@H]([N@@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C2CC2)C1 ZINC000182090633 822089756 /nfs/dbraw/zinc/08/97/56/822089756.db2.gz NNBQTBCXFKUKEY-INIZCTEOSA-N 1 2 399.434 4.117 20 0 GIADLO c1nc2c(n1CCc1ccccc1)CC[N@H+](Cc1cc(-c3ccccc3)n[nH]1)C2 ZINC000182144803 822116572 /nfs/dbraw/zinc/11/65/72/822116572.db2.gz PIJBGEVKASOCLE-UHFFFAOYSA-N 1 2 383.499 4.074 20 0 GIADLO c1nc2c(n1CCc1ccccc1)CC[N@@H+](Cc1cc(-c3ccccc3)n[nH]1)C2 ZINC000182144803 822116575 /nfs/dbraw/zinc/11/65/75/822116575.db2.gz PIJBGEVKASOCLE-UHFFFAOYSA-N 1 2 383.499 4.074 20 0 GIADLO C[C@H]([NH2+]Cc1csc(COc2ccc(F)cc2)n1)c1ccc2c(c1)OCO2 ZINC000182277013 822183305 /nfs/dbraw/zinc/18/33/05/822183305.db2.gz XFMGRPFTEZKOKO-ZDUSSCGKSA-N 1 2 386.448 4.441 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3C[C@H](c4ccccc4)C[C@@H]3C)s2)cc1 ZINC000182486803 822262620 /nfs/dbraw/zinc/26/26/20/822262620.db2.gz OIPURXQBJRHVQC-FUHWJXTLSA-N 1 2 392.528 4.477 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3C[C@H](c4ccccc4)C[C@@H]3C)s2)cc1 ZINC000182486803 822262627 /nfs/dbraw/zinc/26/26/27/822262627.db2.gz OIPURXQBJRHVQC-FUHWJXTLSA-N 1 2 392.528 4.477 20 0 GIADLO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000182528597 822285198 /nfs/dbraw/zinc/28/51/98/822285198.db2.gz KHPXXLNFMHQTRY-UHFFFAOYSA-N 1 2 396.293 4.056 20 0 GIADLO Fc1cccc(C[C@@H]([NH2+]Cc2nnnn2-c2ccccc2)c2cccc(F)c2)c1 ZINC000178074182 822309902 /nfs/dbraw/zinc/30/99/02/822309902.db2.gz YLUWUOXXVBGRCL-OAQYLSRUSA-N 1 2 391.425 4.014 20 0 GIADLO COc1ccccc1Oc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178166139 822338626 /nfs/dbraw/zinc/33/86/26/822338626.db2.gz FDRBOSAWECHUSH-UHFFFAOYSA-N 1 2 388.427 4.457 20 0 GIADLO Cc1cccc(C[N@H+](Cc2ccccn2)Cc2cc(=O)oc3cc(O)ccc23)c1 ZINC000182670327 822345394 /nfs/dbraw/zinc/34/53/94/822345394.db2.gz RHFUOQIMWMSYSG-UHFFFAOYSA-N 1 2 386.451 4.404 20 0 GIADLO Cc1cccc(C[N@@H+](Cc2ccccn2)Cc2cc(=O)oc3cc(O)ccc23)c1 ZINC000182670327 822345409 /nfs/dbraw/zinc/34/54/09/822345409.db2.gz RHFUOQIMWMSYSG-UHFFFAOYSA-N 1 2 386.451 4.404 20 0 GIADLO CC[C@@H](c1nnc(NC(=O)NCc2ccn3cc[nH+]c3c2)s1)c1ccccc1 ZINC000178203215 822351655 /nfs/dbraw/zinc/35/16/55/822351655.db2.gz OYWRNBXTQAWXGO-MRXNPFEDSA-N 1 2 392.488 4.049 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(COCc2ccccc2)cc1 ZINC000178212647 822353820 /nfs/dbraw/zinc/35/38/20/822353820.db2.gz JDOGDNGPJDRTQZ-UHFFFAOYSA-N 1 2 386.455 4.373 20 0 GIADLO CCOc1cc(Cl)ccc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000182703583 822355710 /nfs/dbraw/zinc/35/57/10/822355710.db2.gz PUMVYEGMHBEIPG-UHFFFAOYSA-N 1 2 385.851 4.267 20 0 GIADLO O=c1cc(C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)c2ccc(O)cc2o1 ZINC000182712381 822356988 /nfs/dbraw/zinc/35/69/88/822356988.db2.gz ORVZABDRRBVGMZ-QFIPXVFZSA-N 1 2 392.842 4.426 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000178282288 822363021 /nfs/dbraw/zinc/36/30/21/822363021.db2.gz FJOBLHAXOMFUAF-JOCHJYFZSA-N 1 2 388.471 4.450 20 0 GIADLO CCCc1ccc([C@@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)c2cccs2)cc1 ZINC000045123930 822364271 /nfs/dbraw/zinc/36/42/71/822364271.db2.gz MRWLOEVJNQURJQ-OXQOHEQNSA-N 1 2 382.533 4.374 20 0 GIADLO O=C(NCc1cc2ccccc2o1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178311750 822366196 /nfs/dbraw/zinc/36/61/96/822366196.db2.gz UZVJXEDWVNZFDD-IRLDBZIGSA-N 1 2 386.455 4.357 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2csc([C@@H](C)OC)n2)cc1Br ZINC000178365804 822371669 /nfs/dbraw/zinc/37/16/69/822371669.db2.gz SAUNOAYXDNEYBY-GHMZBOCLSA-N 1 2 385.327 4.472 20 0 GIADLO Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)n2)cc1 ZINC000182825195 822373548 /nfs/dbraw/zinc/37/35/48/822373548.db2.gz IRLNTBMWBSCJKI-KRWDZBQOSA-N 1 2 393.388 4.064 20 0 GIADLO Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)n2)cc1 ZINC000182825195 822373552 /nfs/dbraw/zinc/37/35/52/822373552.db2.gz IRLNTBMWBSCJKI-KRWDZBQOSA-N 1 2 393.388 4.064 20 0 GIADLO Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)n2)cc1 ZINC000182825227 822373631 /nfs/dbraw/zinc/37/36/31/822373631.db2.gz IRLNTBMWBSCJKI-QGZVFWFLSA-N 1 2 393.388 4.064 20 0 GIADLO Fc1ccc(-n2ccc(C[N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)n2)cc1 ZINC000182825227 822373634 /nfs/dbraw/zinc/37/36/34/822373634.db2.gz IRLNTBMWBSCJKI-QGZVFWFLSA-N 1 2 393.388 4.064 20 0 GIADLO COc1ccc(-c2nc(C[N@H+](CCCO)[C@H]3CCCc4ccccc43)no2)cc1 ZINC000178398068 822375485 /nfs/dbraw/zinc/37/54/85/822375485.db2.gz SODPDAMLISYLQN-NRFANRHFSA-N 1 2 393.487 4.007 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+](CCCO)[C@H]3CCCc4ccccc43)no2)cc1 ZINC000178398068 822375488 /nfs/dbraw/zinc/37/54/88/822375488.db2.gz SODPDAMLISYLQN-NRFANRHFSA-N 1 2 393.487 4.007 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cccc(OC)c2)cc1 ZINC000045294229 822376614 /nfs/dbraw/zinc/37/66/14/822376614.db2.gz FGYQIZUBOTWDCX-UHFFFAOYSA-N 1 2 393.487 4.023 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000045304648 822377780 /nfs/dbraw/zinc/37/77/80/822377780.db2.gz DHKOEZSRBIAYGM-IERDGZPVSA-N 1 2 394.544 4.301 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000045304647 822377829 /nfs/dbraw/zinc/37/78/29/822377829.db2.gz DHKOEZSRBIAYGM-KKSFZXQISA-N 1 2 394.544 4.301 20 0 GIADLO Cn1c(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nc2cc(Cl)ccc21 ZINC000182850178 822378629 /nfs/dbraw/zinc/37/86/29/822378629.db2.gz PULCEAZTVMIBGG-CYBMUJFWSA-N 1 2 397.832 4.279 20 0 GIADLO Cn1c(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)nc2cc(Cl)ccc21 ZINC000182850178 822378633 /nfs/dbraw/zinc/37/86/33/822378633.db2.gz PULCEAZTVMIBGG-CYBMUJFWSA-N 1 2 397.832 4.279 20 0 GIADLO Cc1cc(Br)c(C[NH2+][C@H](CO)c2cccc(Cl)c2F)s1 ZINC000453599762 822390984 /nfs/dbraw/zinc/39/09/84/822390984.db2.gz PZNIMHUKETUKHG-GFCCVEGCSA-N 1 2 378.694 4.435 20 0 GIADLO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c1 ZINC000182924045 822393767 /nfs/dbraw/zinc/39/37/67/822393767.db2.gz RBBJCFQKGULOOR-OAHLLOKOSA-N 1 2 388.512 4.297 20 0 GIADLO CC(C)(C)[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1nc(-c2nc[nH]n2)no1 ZINC000178678645 822402298 /nfs/dbraw/zinc/40/22/98/822402298.db2.gz AXFSPCGUOGPYNC-INIZCTEOSA-N 1 2 396.426 4.131 20 0 GIADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000045676889 822404735 /nfs/dbraw/zinc/40/47/35/822404735.db2.gz ZHLPSKPHJOTUBJ-GOSISDBHSA-N 1 2 381.520 4.197 20 0 GIADLO O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000178778058 822408960 /nfs/dbraw/zinc/40/89/60/822408960.db2.gz PYEPZKBAUHAVHK-ICSRJNTNSA-N 1 2 379.891 4.199 20 0 GIADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178795801 822410783 /nfs/dbraw/zinc/41/07/83/822410783.db2.gz RDYVJZGJJFIZSZ-YDBLSZJJSA-N 1 2 399.343 4.190 20 0 GIADLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178795801 822410785 /nfs/dbraw/zinc/41/07/85/822410785.db2.gz RDYVJZGJJFIZSZ-YDBLSZJJSA-N 1 2 399.343 4.190 20 0 GIADLO Cc1oc(-c2ccccc2)nc1C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000045771447 822411918 /nfs/dbraw/zinc/41/19/18/822411918.db2.gz YQHVZPIMVSPDGY-UHFFFAOYSA-N 1 2 375.472 4.174 20 0 GIADLO Cc1oc(-c2ccccc2)nc1C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000045771447 822411921 /nfs/dbraw/zinc/41/19/21/822411921.db2.gz YQHVZPIMVSPDGY-UHFFFAOYSA-N 1 2 375.472 4.174 20 0 GIADLO O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000045861018 822419516 /nfs/dbraw/zinc/41/95/16/822419516.db2.gz OZVHDOLFHNUUKB-UHFFFAOYSA-N 1 2 386.411 4.077 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1C ZINC000178909117 822420885 /nfs/dbraw/zinc/42/08/85/822420885.db2.gz XIPBLYSTSTWWAI-QUCCMNQESA-N 1 2 397.519 4.016 20 0 GIADLO CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCc2c[nH+]c(C)cc2C)c(C)c1 ZINC000454028719 822423571 /nfs/dbraw/zinc/42/35/71/822423571.db2.gz LABFWYUSZVWYNE-INIZCTEOSA-N 1 2 385.533 4.152 20 0 GIADLO C[S@](=O)C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)c1ccccc1 ZINC000183098971 822424291 /nfs/dbraw/zinc/42/42/91/822424291.db2.gz PFVHYCGTAKXJOY-HAWMADMCSA-N 1 2 382.407 4.056 20 0 GIADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cnn(Cc2ccccc2Cl)c1 ZINC000045955548 822426610 /nfs/dbraw/zinc/42/66/10/822426610.db2.gz SYJLFKJZONVKNC-UHFFFAOYSA-N 1 2 377.835 4.023 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(OC(F)F)c(F)c3)n2)c1 ZINC000178993772 822427330 /nfs/dbraw/zinc/42/73/30/822427330.db2.gz AADJNDONGMQWBA-NSHDSACASA-N 1 2 393.365 4.337 20 0 GIADLO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000183179968 822436567 /nfs/dbraw/zinc/43/65/67/822436567.db2.gz ARFSTWNSKRAJQT-LLVKDONJSA-N 1 2 393.274 4.219 20 0 GIADLO FC(F)(F)c1ccn(C2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)n1 ZINC000183188174 822438139 /nfs/dbraw/zinc/43/81/39/822438139.db2.gz RPTVNLBNIUGRMW-UHFFFAOYSA-N 1 2 382.411 4.456 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454276465 822448619 /nfs/dbraw/zinc/44/86/19/822448619.db2.gz UDAQWNQTCQNCSZ-QGZVFWFLSA-N 1 2 386.521 4.481 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ncc(Br)s1 ZINC000179206745 822451049 /nfs/dbraw/zinc/45/10/49/822451049.db2.gz CTYTUUSRFMZGCT-NSHDSACASA-N 1 2 382.327 4.473 20 0 GIADLO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2ncc(Br)s2)cc1 ZINC000179215960 822452876 /nfs/dbraw/zinc/45/28/76/822452876.db2.gz NHHUOZFZWBHTFG-GFCCVEGCSA-N 1 2 396.354 4.286 20 0 GIADLO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000183283219 822453225 /nfs/dbraw/zinc/45/32/25/822453225.db2.gz LYRCZRFYDMTSPK-UHFFFAOYSA-N 1 2 393.274 4.316 20 0 GIADLO COc1cc(OC)c(OC)cc1C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183304703 822455992 /nfs/dbraw/zinc/45/59/92/822455992.db2.gz LRMNQRVHIWRZFI-JOCHJYFZSA-N 1 2 382.435 4.126 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cnn1C ZINC000183326542 822459336 /nfs/dbraw/zinc/45/93/36/822459336.db2.gz YDHBCPSJQROVDL-VHSXEESVSA-N 1 2 380.279 4.497 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H]1c1ccc(F)cc1F ZINC000454337388 822459661 /nfs/dbraw/zinc/45/96/61/822459661.db2.gz NCWXWGGNDFKKPS-NRFANRHFSA-N 1 2 396.441 4.256 20 0 GIADLO CCOc1ccccc1NC(=O)[C@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccccc1 ZINC000183337838 822460687 /nfs/dbraw/zinc/46/06/87/822460687.db2.gz UJMNNXSVOMGKPM-OPAMFIHVSA-N 1 2 392.503 4.158 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cnn1C ZINC000183339376 822460864 /nfs/dbraw/zinc/46/08/64/822460864.db2.gz MMLORTRTQWOLDF-HTAPYJJXSA-N 1 2 376.504 4.376 20 0 GIADLO Cc1cc2ccccc2n1CC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000046344477 822464155 /nfs/dbraw/zinc/46/41/55/822464155.db2.gz ILFZZXVNVZDCFI-RTBURBONSA-N 1 2 391.515 4.198 20 0 GIADLO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)cn2)n1 ZINC000183369572 822464815 /nfs/dbraw/zinc/46/48/15/822464815.db2.gz FJSPNCXPZBYVJO-QHCPKHFHSA-N 1 2 387.462 4.297 20 0 GIADLO CCCC[N@H+](Cn1nc(-c2cc(OC)c(OC)c(OC)c2)oc1=S)C1CC1 ZINC000046477880 822476988 /nfs/dbraw/zinc/47/69/88/822476988.db2.gz YCCYLXXXKTXVMP-UHFFFAOYSA-N 1 2 393.509 4.120 20 0 GIADLO CCCC[N@@H+](Cn1nc(-c2cc(OC)c(OC)c(OC)c2)oc1=S)C1CC1 ZINC000046477880 822476989 /nfs/dbraw/zinc/47/69/89/822476989.db2.gz YCCYLXXXKTXVMP-UHFFFAOYSA-N 1 2 393.509 4.120 20 0 GIADLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(SC)cc1OC ZINC000179425840 822480851 /nfs/dbraw/zinc/48/08/51/822480851.db2.gz OMRNZYRVJIBKFK-LJQANCHMSA-N 1 2 377.481 4.138 20 0 GIADLO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(SC)cc1OC ZINC000179425840 822480852 /nfs/dbraw/zinc/48/08/52/822480852.db2.gz OMRNZYRVJIBKFK-LJQANCHMSA-N 1 2 377.481 4.138 20 0 GIADLO OC[C@H](C1CC1)[N@H+](Cc1csc(COc2ccccc2)n1)Cc1ccccc1 ZINC000179443006 822483689 /nfs/dbraw/zinc/48/36/89/822483689.db2.gz BVQXPRLFDPTKNH-JOCHJYFZSA-N 1 2 394.540 4.495 20 0 GIADLO OC[C@H](C1CC1)[N@@H+](Cc1csc(COc2ccccc2)n1)Cc1ccccc1 ZINC000179443006 822483692 /nfs/dbraw/zinc/48/36/92/822483692.db2.gz BVQXPRLFDPTKNH-JOCHJYFZSA-N 1 2 394.540 4.495 20 0 GIADLO Cc1cc2ncc([C@@H](C)[NH2+]Cc3nccn3CCCc3ccccc3)c(C)n2n1 ZINC000179444907 822483893 /nfs/dbraw/zinc/48/38/93/822483893.db2.gz MNNDOJVIFIXTIB-GOSISDBHSA-N 1 2 388.519 4.026 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000179467564 822487015 /nfs/dbraw/zinc/48/70/15/822487015.db2.gz QPNOPFMKAUJJIQ-KRWDZBQOSA-N 1 2 381.303 4.214 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000179467564 822487017 /nfs/dbraw/zinc/48/70/17/822487017.db2.gz QPNOPFMKAUJJIQ-KRWDZBQOSA-N 1 2 381.303 4.214 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC[C@@H]2CCCCC2(F)F)C[C@H](C)O1 ZINC000454514508 822488397 /nfs/dbraw/zinc/48/83/97/822488397.db2.gz RNKWLALCWCUSHB-JZXOWHBKSA-N 1 2 395.494 4.243 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC[C@@H]2CCCCC2(F)F)C[C@H](C)O1 ZINC000454514508 822488399 /nfs/dbraw/zinc/48/83/99/822488399.db2.gz RNKWLALCWCUSHB-JZXOWHBKSA-N 1 2 395.494 4.243 20 0 GIADLO O=C(Nc1ccc(COc2ccccc2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000179499182 822491834 /nfs/dbraw/zinc/49/18/34/822491834.db2.gz GJQFYYUVSLMRDD-HXUWFJFHSA-N 1 2 388.471 4.061 20 0 GIADLO CCOC1CC[NH+](Cc2ccc(Br)c(Br)c2)CC1 ZINC000179499817 822492126 /nfs/dbraw/zinc/49/21/26/822492126.db2.gz DLZGEWKOBHDTBL-UHFFFAOYSA-N 1 2 377.120 4.213 20 0 GIADLO O[C@](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)(c1ccccc1)C(F)(F)F ZINC000183548011 822493173 /nfs/dbraw/zinc/49/31/73/822493173.db2.gz JJHAFHZIKOIFFN-VQTJNVASSA-N 1 2 390.380 4.350 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c[nH+]1 ZINC000454539292 822493730 /nfs/dbraw/zinc/49/37/30/822493730.db2.gz XTSMGPJREOFEAT-UHFFFAOYSA-N 1 2 394.519 4.201 20 0 GIADLO Cc1cccc([C@@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c2ccccn2)c1 ZINC000179534610 822498857 /nfs/dbraw/zinc/49/88/57/822498857.db2.gz RPUQDSZHRVPUIC-KSFYIVLOSA-N 1 2 398.503 4.373 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c[nH+]1 ZINC000454593471 822502945 /nfs/dbraw/zinc/50/29/45/822502945.db2.gz NXSZWRQUJQGVIO-QGZVFWFLSA-N 1 2 389.883 4.231 20 0 GIADLO COc1ccc([C@H](C)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000179556070 822503022 /nfs/dbraw/zinc/50/30/22/822503022.db2.gz SEKSZPRVJBXBDN-WVFSVQOHSA-N 1 2 392.902 4.210 20 0 GIADLO COc1ccc([C@H](C)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000179556070 822503024 /nfs/dbraw/zinc/50/30/24/822503024.db2.gz SEKSZPRVJBXBDN-WVFSVQOHSA-N 1 2 392.902 4.210 20 0 GIADLO C[C@H]1CN(c2ccc([NH2+][C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)cc2)CCO1 ZINC000183629614 822503407 /nfs/dbraw/zinc/50/34/07/822503407.db2.gz DKAWOCNKONRHKI-ZWKOTPCHSA-N 1 2 389.540 4.113 20 0 GIADLO CCOc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1OC ZINC000183632835 822504084 /nfs/dbraw/zinc/50/40/84/822504084.db2.gz AITQSNQOLFQWFE-OAHLLOKOSA-N 1 2 389.521 4.066 20 0 GIADLO Cc1oc(-c2cccs2)nc1C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000179567872 822504909 /nfs/dbraw/zinc/50/49/09/822504909.db2.gz OHAILZWPRMKPRC-GOSISDBHSA-N 1 2 381.501 4.165 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)c1cccc(Br)c1Cl ZINC000183662817 822507650 /nfs/dbraw/zinc/50/76/50/822507650.db2.gz MWLAYSJSOJMORR-UHFFFAOYSA-N 1 2 382.689 4.120 20 0 GIADLO O=c1oc2cc(Br)ccc2n1C[N@H+](Cc1cccs1)C1CC1 ZINC000046719365 822509332 /nfs/dbraw/zinc/50/93/32/822509332.db2.gz JQMNFEQMLADCFO-UHFFFAOYSA-N 1 2 379.279 4.041 20 0 GIADLO O=c1oc2cc(Br)ccc2n1C[N@@H+](Cc1cccs1)C1CC1 ZINC000046719365 822509337 /nfs/dbraw/zinc/50/93/37/822509337.db2.gz JQMNFEQMLADCFO-UHFFFAOYSA-N 1 2 379.279 4.041 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000183695086 822513003 /nfs/dbraw/zinc/51/30/03/822513003.db2.gz DLENKYQFASIFBD-CYBMUJFWSA-N 1 2 381.448 4.260 20 0 GIADLO COc1cc(C)c([C@H](C)[NH2+]Cc2nnc(Cc3ccccc3C)o2)cc1OC ZINC000179620864 822514380 /nfs/dbraw/zinc/51/43/80/822514380.db2.gz KGVCQTZHSBWBCY-INIZCTEOSA-N 1 2 381.476 4.145 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@@H](C)c3cc(OC)c(OC)cc3C)n2)cc1 ZINC000179621809 822514627 /nfs/dbraw/zinc/51/46/27/822514627.db2.gz MBGBPZDBQANOMN-HNNXBMFYSA-N 1 2 381.476 4.475 20 0 GIADLO C[C@H]1CN(c2ccc([NH2+]C3CCC(NC(=O)OC(C)(C)C)CC3)cc2)CCO1 ZINC000179634350 822516731 /nfs/dbraw/zinc/51/67/31/822516731.db2.gz BIHKXPAQIAQKFS-MUYFXNHWSA-N 1 2 389.540 4.160 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]c2cccc(Br)c12 ZINC000179649188 822519515 /nfs/dbraw/zinc/51/95/15/822519515.db2.gz NYUPUNYOZOQASA-UHFFFAOYSA-N 1 2 395.260 4.046 20 0 GIADLO C[C@@H](c1cccc(NC(=O)N2CC(c3cccc(Cl)c3)C2)c1)[NH+]1CCOCC1 ZINC000454727858 822524164 /nfs/dbraw/zinc/52/41/64/822524164.db2.gz BTDSYQBOLNTLQS-INIZCTEOSA-N 1 2 399.922 4.365 20 0 GIADLO CC[C@@H](CNc1ccccc1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000454743416 822526769 /nfs/dbraw/zinc/52/67/69/822526769.db2.gz PRLWZQWPQHPUMW-ICSRJNTNSA-N 1 2 396.535 4.092 20 0 GIADLO CCn1ncc2ccc(NC(=O)N3CC[NH+]([C@@H](C)c4ccsc4)CC3)cc21 ZINC000183777686 822527115 /nfs/dbraw/zinc/52/71/15/822527115.db2.gz AUCDFEOIPRDKSL-HNNXBMFYSA-N 1 2 383.521 4.028 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCCCC[C@H]1c1ccncc1 ZINC000046921434 822531305 /nfs/dbraw/zinc/53/13/05/822531305.db2.gz QDYMJFFHYXWHBR-QFIPXVFZSA-N 1 2 389.503 4.153 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000046943747 822533238 /nfs/dbraw/zinc/53/32/38/822533238.db2.gz VBFYWIDDMOLETK-UHFFFAOYSA-N 1 2 390.487 4.055 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N(Cc1ccco1)Cc1cccs1 ZINC000046943701 822533308 /nfs/dbraw/zinc/53/33/08/822533308.db2.gz LGIWRMMYEWQRFW-UHFFFAOYSA-N 1 2 396.516 4.117 20 0 GIADLO CN(Cc1cccc(Cl)c1Cl)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943703 822533372 /nfs/dbraw/zinc/53/33/72/822533372.db2.gz JIXGXJYXJMUCQO-UHFFFAOYSA-N 1 2 393.318 4.199 20 0 GIADLO CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c12 ZINC000047077233 822542773 /nfs/dbraw/zinc/54/27/73/822542773.db2.gz RWPJXQFSERNEGQ-UHFFFAOYSA-N 1 2 387.443 4.491 20 0 GIADLO Cc1nc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3C(C)C)CC2)cc[nH+]1 ZINC000183908756 822544249 /nfs/dbraw/zinc/54/42/49/822544249.db2.gz CWHWKORVGQTZJI-UHFFFAOYSA-N 1 2 381.524 4.386 20 0 GIADLO CCO[C@H](C)c1nc(C[NH+]2CCC(OCc3ccccc3OC)CC2)cs1 ZINC000179761010 822545576 /nfs/dbraw/zinc/54/55/76/822545576.db2.gz RKNGUNGDUIQLQA-MRXNPFEDSA-N 1 2 390.549 4.430 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccnc1Sc1ccccc1 ZINC000047123381 822545685 /nfs/dbraw/zinc/54/56/85/822545685.db2.gz OZMFHTOIOJYEFU-UHFFFAOYSA-N 1 2 390.512 4.027 20 0 GIADLO Cc1cc(-c2noc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)n2)ccc1F ZINC000179765000 822547226 /nfs/dbraw/zinc/54/72/26/822547226.db2.gz WUFRUSCTLGXGPN-OAQYLSRUSA-N 1 2 395.434 4.196 20 0 GIADLO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)s1 ZINC000183930669 822549162 /nfs/dbraw/zinc/54/91/62/822549162.db2.gz WGWZHBGOHQXRPI-JTQLQIEISA-N 1 2 378.498 4.052 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776315 822550644 /nfs/dbraw/zinc/55/06/44/822550644.db2.gz BEWWIHUHTPIXLQ-ZDUSSCGKSA-N 1 2 380.423 4.075 20 0 GIADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183974554 822556577 /nfs/dbraw/zinc/55/65/77/822556577.db2.gz LTWZRDXSTUNVHV-GFCCVEGCSA-N 1 2 385.489 4.252 20 0 GIADLO O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047242366 822558055 /nfs/dbraw/zinc/55/80/55/822558055.db2.gz JZSWVNNCXQZJOL-UHFFFAOYSA-N 1 2 378.432 4.446 20 0 GIADLO CC(C)(C)c1ccc(OCCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000047248404 822558651 /nfs/dbraw/zinc/55/86/51/822558651.db2.gz JQHOLBNWNWVFPY-UHFFFAOYSA-N 1 2 377.488 4.038 20 0 GIADLO C[C@H](c1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1)C(F)(F)F ZINC000454989638 822566745 /nfs/dbraw/zinc/56/67/45/822566745.db2.gz KBSWCDGDHQDSPD-OAHLLOKOSA-N 1 2 392.421 4.437 20 0 GIADLO Cc1nc(N2CCN(C(=O)Nc3cccc(CSC(C)C)c3C)CC2)cc[nH+]1 ZINC000184045421 822569996 /nfs/dbraw/zinc/56/99/96/822569996.db2.gz XYMDTARUZVBBKI-UHFFFAOYSA-N 1 2 399.564 4.089 20 0 GIADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000179940394 822581225 /nfs/dbraw/zinc/58/12/25/822581225.db2.gz GTHIQTOREKQTDS-GFCCVEGCSA-N 1 2 389.414 4.441 20 0 GIADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000179940394 822581228 /nfs/dbraw/zinc/58/12/28/822581228.db2.gz GTHIQTOREKQTDS-GFCCVEGCSA-N 1 2 389.414 4.441 20 0 GIADLO C[C@@H]1COCCN1c1ccc([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000179943281 822582269 /nfs/dbraw/zinc/58/22/69/822582269.db2.gz YACNHUBMTKNGLN-GBURSHPISA-N 1 2 391.515 4.156 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000184137737 822584551 /nfs/dbraw/zinc/58/45/51/822584551.db2.gz KMKZNPDXFLOBGX-YLJYHZDGSA-N 1 2 379.529 4.202 20 0 GIADLO COc1ccc(-c2nc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cs2)cc1 ZINC000047514513 822585746 /nfs/dbraw/zinc/58/57/46/822585746.db2.gz HTBNVBAIMRRXQL-UHFFFAOYSA-N 1 2 376.441 4.257 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2Cl)n1 ZINC000184167592 822589481 /nfs/dbraw/zinc/58/94/81/822589481.db2.gz NTODYUSWRJYGGR-SECBINFHSA-N 1 2 388.718 4.157 20 0 GIADLO CC(C)CN(CC(C)C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000047570197 822592013 /nfs/dbraw/zinc/59/20/13/822592013.db2.gz CWSGUDYEUYUSND-OALUTQOASA-N 1 2 375.557 4.442 20 0 GIADLO CC(C)CN(CC(C)C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047570199 822592094 /nfs/dbraw/zinc/59/20/94/822592094.db2.gz CWSGUDYEUYUSND-RTBURBONSA-N 1 2 375.557 4.442 20 0 GIADLO Cc1sc2[nH]c(C[NH2+]C3(c4ccc(F)cc4F)CCC3)nc(=O)c2c1C ZINC000179992971 822592273 /nfs/dbraw/zinc/59/22/73/822592273.db2.gz UMODYPFHGPJJBK-UHFFFAOYSA-N 1 2 375.444 4.049 20 0 GIADLO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)c(Cl)c1 ZINC000184184350 822592301 /nfs/dbraw/zinc/59/23/01/822592301.db2.gz WOMAAQMDLYMCHJ-KRWDZBQOSA-N 1 2 378.900 4.492 20 0 GIADLO CCc1cc2c(C[NH2+][C@@H](COCC(C)C)c3ccco3)cc(=O)oc2cc1O ZINC000184185965 822592572 /nfs/dbraw/zinc/59/25/72/822592572.db2.gz YAXZVXIKMZLBIA-SFHVURJKSA-N 1 2 385.460 4.158 20 0 GIADLO NC(=O)c1ccc(-c2nc(C[NH2+]C3(c4ccc(F)cc4F)CCC3)cs2)cc1 ZINC000179994633 822592611 /nfs/dbraw/zinc/59/26/11/822592611.db2.gz MCHJJJCWAPNIAD-UHFFFAOYSA-N 1 2 399.466 4.356 20 0 GIADLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc2ncccc21)c1ccco1 ZINC000184206461 822596223 /nfs/dbraw/zinc/59/62/23/822596223.db2.gz CYLHUGJBHBTXDB-UZLBHIALSA-N 1 2 381.476 4.158 20 0 GIADLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(-c4ccccc4)o3)ccc2NC1=O ZINC000180023093 822598699 /nfs/dbraw/zinc/59/86/99/822598699.db2.gz PVNJSCWWBSOHEZ-KBXCAEBGSA-N 1 2 377.444 4.302 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)n1 ZINC000184228409 822599700 /nfs/dbraw/zinc/59/97/00/822599700.db2.gz YAPKCVYSELFQHP-UGSOOPFHSA-N 1 2 389.521 4.209 20 0 GIADLO C[C@H](C1CC1)n1nccc1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455190635 822604625 /nfs/dbraw/zinc/60/46/25/822604625.db2.gz KNPISFMLORIBCD-CYBMUJFWSA-N 1 2 384.871 4.015 20 0 GIADLO Cc1cc(C)n(-c2ccc(NC(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cc2F)n1 ZINC000047860500 822614401 /nfs/dbraw/zinc/61/44/01/822614401.db2.gz PPTOPSDHQRWIME-LJQANCHMSA-N 1 2 398.486 4.061 20 0 GIADLO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000455258110 822619430 /nfs/dbraw/zinc/61/94/30/822619430.db2.gz HAAOZPNAJDPOBE-CQSZACIVSA-N 1 2 377.872 4.087 20 0 GIADLO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1Br)c1nc(C)cs1 ZINC000184352647 822620672 /nfs/dbraw/zinc/62/06/72/822620672.db2.gz CJECXUKUEJNBDL-LBPRGKRZSA-N 1 2 385.327 4.472 20 0 GIADLO Cc1c(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cccc1N(C)C ZINC000180187665 822635295 /nfs/dbraw/zinc/63/52/95/822635295.db2.gz VWWWLTSQDFKOJQ-YADHBBJMSA-N 1 2 389.503 4.308 20 0 GIADLO Cc1cc(OC(C)C)ccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048121876 822635564 /nfs/dbraw/zinc/63/55/64/822635564.db2.gz JFISCSUIFJHNKZ-UHFFFAOYSA-N 1 2 378.476 4.349 20 0 GIADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc2c(cc1Br)OCCCO2 ZINC000180203237 822638793 /nfs/dbraw/zinc/63/87/93/822638793.db2.gz NETYQKMIHPSANT-ZDUSSCGKSA-N 1 2 377.282 4.198 20 0 GIADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc2c(cc1Br)OCCCO2 ZINC000180203237 822638795 /nfs/dbraw/zinc/63/87/95/822638795.db2.gz NETYQKMIHPSANT-ZDUSSCGKSA-N 1 2 377.282 4.198 20 0 GIADLO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000184474760 822642362 /nfs/dbraw/zinc/64/23/62/822642362.db2.gz GDMRIXKVYWDEFG-OAHLLOKOSA-N 1 2 381.863 4.051 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1nc(C(C)(C)C)cs1 ZINC000184503185 822646778 /nfs/dbraw/zinc/64/67/78/822646778.db2.gz KQJPTKPBJRHGDT-LLVKDONJSA-N 1 2 383.464 4.331 20 0 GIADLO COC[C@H]([NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccco1 ZINC000184526116 822651161 /nfs/dbraw/zinc/65/11/61/822651161.db2.gz NLKOHCVFNLKISM-WQGACYEGSA-N 1 2 385.291 4.129 20 0 GIADLO Cc1ccc(-c2cc(C[NH2+][C@H](c3cnn(C)c3)c3ccc(F)cc3)on2)cc1 ZINC000184581089 822660866 /nfs/dbraw/zinc/66/08/66/822660866.db2.gz TZJPSHBFDPXYAJ-QFIPXVFZSA-N 1 2 376.435 4.402 20 0 GIADLO COC[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)c1ccco1 ZINC000184591471 822662518 /nfs/dbraw/zinc/66/25/18/822662518.db2.gz VVLFACXNXSLMJQ-PMACEKPBSA-N 1 2 384.520 4.218 20 0 GIADLO Cc1cc(C)c(NC(=O)NC(C)(C)COc2ccc(C(F)(F)F)cn2)c(C)[nH+]1 ZINC000455483500 822663132 /nfs/dbraw/zinc/66/31/32/822663132.db2.gz IYXDSAYEDPBYDE-UHFFFAOYSA-N 1 2 396.413 4.400 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCC(CN3CCc4ccccc43)CC2)c(C)[nH+]1 ZINC000455490672 822664757 /nfs/dbraw/zinc/66/47/57/822664757.db2.gz WXORXSUYEGRWPR-UHFFFAOYSA-N 1 2 378.520 4.313 20 0 GIADLO CCOc1cccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1OC(F)F ZINC000455495883 822665831 /nfs/dbraw/zinc/66/58/31/822665831.db2.gz ONZVLGZWORLNNI-UHFFFAOYSA-N 1 2 379.407 4.329 20 0 GIADLO Cc1cc(C)c(NC(=O)N(C)Cc2cc3c(cc2OC(F)F)OCO3)c(C)[nH+]1 ZINC000455499099 822666338 /nfs/dbraw/zinc/66/63/38/822666338.db2.gz RVOABDRZQIJZOL-UHFFFAOYSA-N 1 2 393.390 4.001 20 0 GIADLO CCN(Cc1cc(Br)ccc1F)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455559700 822674610 /nfs/dbraw/zinc/67/46/10/822674610.db2.gz OJJUYNAWZAJESD-UHFFFAOYSA-N 1 2 394.288 4.332 20 0 GIADLO O=C(Cc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000184681932 822675650 /nfs/dbraw/zinc/67/56/50/822675650.db2.gz PVSNKJGUBMQYNB-UHFFFAOYSA-N 1 2 396.422 4.455 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c[nH+]1 ZINC000455567907 822675907 /nfs/dbraw/zinc/67/59/07/822675907.db2.gz IMKDHYONIQEUII-MRXNPFEDSA-N 1 2 377.410 4.416 20 0 GIADLO Clc1ccccc1OCc1nnc(SCCCn2cc[nH+]c2)n1C1CC1 ZINC000180427321 822679645 /nfs/dbraw/zinc/67/96/45/822679645.db2.gz HEFUKQYZJHYFSP-UHFFFAOYSA-N 1 2 389.912 4.224 20 0 GIADLO Cn1c(SCCCn2cc[nH+]c2)nc2scc(-c3cccs3)c2c1=O ZINC000180430273 822680328 /nfs/dbraw/zinc/68/03/28/822680328.db2.gz WCSIJPAQTILTEW-UHFFFAOYSA-N 1 2 388.543 4.102 20 0 GIADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000180436249 822681489 /nfs/dbraw/zinc/68/14/89/822681489.db2.gz RKYISRJRWCQPST-GFCCVEGCSA-N 1 2 395.272 4.195 20 0 GIADLO C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1cc2c(cc1Br)OCCO2 ZINC000048786338 822683255 /nfs/dbraw/zinc/68/32/55/822683255.db2.gz UWLLGKMDCSFGFN-SNVBAGLBSA-N 1 2 384.220 4.349 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CCS(=O)(=O)c2cc(Cl)ccc2Cl)cs1 ZINC000184741609 822684626 /nfs/dbraw/zinc/68/46/26/822684626.db2.gz TVXJNUYRAYKSNA-JTQLQIEISA-N 1 2 393.361 4.137 20 0 GIADLO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(C)o1 ZINC000184751750 822686118 /nfs/dbraw/zinc/68/61/18/822686118.db2.gz WWOGVGZBAWGSQH-AWEZNQCLSA-N 1 2 390.789 4.176 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(C)o1 ZINC000184766032 822688065 /nfs/dbraw/zinc/68/80/65/822688065.db2.gz KICUINUFGNEITJ-CQSZACIVSA-N 1 2 391.682 4.464 20 0 GIADLO CSCc1ccccc1NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000184766646 822688264 /nfs/dbraw/zinc/68/82/64/822688264.db2.gz GGSIGCLDJFZBKT-UHFFFAOYSA-N 1 2 399.564 4.126 20 0 GIADLO C[C@@H]([NH2+]Cc1ccncc1Cl)c1cc2c(cc1Br)OCCO2 ZINC000180478058 822688564 /nfs/dbraw/zinc/68/85/64/822688564.db2.gz AMYNQBWRFIUMBM-SNVBAGLBSA-N 1 2 383.673 4.120 20 0 GIADLO Cc1c([C@H](C)[NH2+]Cc2sccc2Br)nnn1-c1ccc(F)cc1 ZINC000180479943 822688727 /nfs/dbraw/zinc/68/87/27/822688727.db2.gz HEIHVWIHKMZIHS-JTQLQIEISA-N 1 2 395.301 4.390 20 0 GIADLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048966377 822689891 /nfs/dbraw/zinc/68/98/91/822689891.db2.gz FPKPWFYTOJYTHO-FQEVSTJZSA-N 1 2 392.503 4.346 20 0 GIADLO Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cn2)c1C ZINC000180495001 822691082 /nfs/dbraw/zinc/69/10/82/822691082.db2.gz FHUOPPAHMJNYEM-LJQANCHMSA-N 1 2 391.475 4.384 20 0 GIADLO C[C@@H]([NH2+]Cc1cccnc1)c1cc(Br)cc(Br)c1O ZINC000184836964 822697688 /nfs/dbraw/zinc/69/76/88/822697688.db2.gz SCKPTLJDFIDQCJ-SECBINFHSA-N 1 2 386.087 4.163 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000184842521 822698793 /nfs/dbraw/zinc/69/87/93/822698793.db2.gz UDVSMGUCFYPXAM-ZBEGNZNMSA-N 1 2 385.291 4.453 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)o1 ZINC000184854397 822700828 /nfs/dbraw/zinc/70/08/28/822700828.db2.gz OUOQPECYHAVPIN-SUMWQHHRSA-N 1 2 398.459 4.095 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)o1 ZINC000184854450 822700839 /nfs/dbraw/zinc/70/08/39/822700839.db2.gz OUOQPECYHAVPIN-DYVFJYSZSA-N 1 2 398.459 4.095 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1ncc(-c2ccccc2)o1 ZINC000184859769 822701964 /nfs/dbraw/zinc/70/19/64/822701964.db2.gz GVYVTEXMWHRDKF-OPAMFIHVSA-N 1 2 375.472 4.260 20 0 GIADLO CC[C@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1ccc(OC)cc1 ZINC000184869841 822704201 /nfs/dbraw/zinc/70/42/01/822704201.db2.gz PNCOKXAFISMBCP-BEFAXECRSA-N 1 2 379.460 4.418 20 0 GIADLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184891792 822708539 /nfs/dbraw/zinc/70/85/39/822708539.db2.gz JJQBVGLJNQIJNW-ZWKOTPCHSA-N 1 2 377.488 4.429 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184898630 822709581 /nfs/dbraw/zinc/70/95/81/822709581.db2.gz HPXGVAYZMRMCKA-LSDHHAIUSA-N 1 2 395.459 4.037 20 0 GIADLO CC(C)c1noc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000180602962 822709811 /nfs/dbraw/zinc/70/98/11/822709811.db2.gz SFHPTGCXHUBSEJ-AWEZNQCLSA-N 1 2 382.439 4.435 20 0 GIADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184899768 822709794 /nfs/dbraw/zinc/70/97/94/822709794.db2.gz XJIRFUKXCJBNHG-QZTJIDSGSA-N 1 2 377.488 4.348 20 0 GIADLO Cc1c(Cl)cncc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000455717497 822712217 /nfs/dbraw/zinc/71/22/17/822712217.db2.gz QWRUPYBGBHESDY-RTBURBONSA-N 1 2 381.867 4.290 20 0 GIADLO Cc1c(Cl)cncc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000455717494 822712272 /nfs/dbraw/zinc/71/22/72/822712272.db2.gz QWRUPYBGBHESDY-RBUKOAKNSA-N 1 2 381.867 4.290 20 0 GIADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)s1 ZINC000184987214 822722187 /nfs/dbraw/zinc/72/21/87/822722187.db2.gz LNVGACOGLGYHGN-HOTGVXAUSA-N 1 2 393.512 4.360 20 0 GIADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@H](C)c2ncc(C)s2)cc1 ZINC000184988375 822722346 /nfs/dbraw/zinc/72/23/46/822722346.db2.gz OZHRGUWMQROHDA-APWZRJJASA-N 1 2 387.549 4.255 20 0 GIADLO CC(C)C(=O)c1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000455786841 822726652 /nfs/dbraw/zinc/72/66/52/822726652.db2.gz CVNHDCRCSIUIRM-UHFFFAOYSA-N 1 2 382.508 4.446 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cc(Br)cc(F)c1O ZINC000185032668 822727368 /nfs/dbraw/zinc/72/73/68/822727368.db2.gz NPICJABWVBTWAG-LBPRGKRZSA-N 1 2 390.256 4.330 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1nccs1 ZINC000185045780 822728806 /nfs/dbraw/zinc/72/88/06/822728806.db2.gz DUSFWZWLKVRTPZ-LJQANCHMSA-N 1 2 381.501 4.402 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1)c1nccs1 ZINC000185057379 822730366 /nfs/dbraw/zinc/73/03/66/822730366.db2.gz GSHGHIFSMRUBTC-YJBOKZPZSA-N 1 2 393.512 4.442 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ncc(Cc2cccc(C)c2)s1)c1nccs1 ZINC000185100849 822737115 /nfs/dbraw/zinc/73/71/15/822737115.db2.gz MWPPDHFAMAWLPA-MRXNPFEDSA-N 1 2 386.546 4.178 20 0 GIADLO Cc1ccc(C[C@@H]2CCC[N@@H+](Cn3nc(-c4cccnc4)n(C)c3=S)C2)cc1 ZINC000050923226 822742705 /nfs/dbraw/zinc/74/27/05/822742705.db2.gz DGAKYEGKEPFKFT-IBGZPJMESA-N 1 2 393.560 4.234 20 0 GIADLO Cc1ccc(C[C@@H]2CCC[N@H+](Cn3nc(-c4cccnc4)n(C)c3=S)C2)cc1 ZINC000050923226 822742707 /nfs/dbraw/zinc/74/27/07/822742707.db2.gz DGAKYEGKEPFKFT-IBGZPJMESA-N 1 2 393.560 4.234 20 0 GIADLO Cc1cc(O[C@@H](C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)ccc1Cl ZINC000051035627 822744606 /nfs/dbraw/zinc/74/46/06/822744606.db2.gz TXHKOXIQBHBKJK-KRWDZBQOSA-N 1 2 397.906 4.019 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2csc(Br)c2C)c1C ZINC000185190577 822747415 /nfs/dbraw/zinc/74/74/15/822747415.db2.gz HMVJMDARVQROFL-UHFFFAOYSA-N 1 2 383.311 4.112 20 0 GIADLO Cc1nc(NC(=O)NCCCn2cc[nH+]c2)sc1Cc1cccc(Cl)c1 ZINC000455932493 822752215 /nfs/dbraw/zinc/75/22/15/822752215.db2.gz QEJSVEMNNITKNF-UHFFFAOYSA-N 1 2 389.912 4.104 20 0 GIADLO CCOc1cccc2cc([C@H](C)NC(=O)NCc3[nH+]cc(C)c(OC)c3C)oc21 ZINC000051335003 822756651 /nfs/dbraw/zinc/75/66/51/822756651.db2.gz MBONABNMBYIRPL-HNNXBMFYSA-N 1 2 397.475 4.412 20 0 GIADLO CCC1(CC)C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[S@@]1=O ZINC000185273182 822757892 /nfs/dbraw/zinc/75/78/92/822757892.db2.gz LISAPGGOVLKURA-MHZLTWQESA-N 1 2 384.545 4.062 20 0 GIADLO CCC1(CC)C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[S@@]1=O ZINC000185273182 822757894 /nfs/dbraw/zinc/75/78/94/822757894.db2.gz LISAPGGOVLKURA-MHZLTWQESA-N 1 2 384.545 4.062 20 0 GIADLO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2nc(-c3cccs3)cs2)C2CC2)s1 ZINC000185311087 822763681 /nfs/dbraw/zinc/76/36/81/822763681.db2.gz QDKSEFWCWQWUPZ-HNNXBMFYSA-N 1 2 390.559 4.316 20 0 GIADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000051531380 822764499 /nfs/dbraw/zinc/76/44/99/822764499.db2.gz OBXDURPJEBELJJ-XOBRGWDASA-N 1 2 390.886 4.252 20 0 GIADLO CC(C)c1noc(CCC[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)n1 ZINC000185319378 822765349 /nfs/dbraw/zinc/76/53/49/822765349.db2.gz AAOCLFIKVZSFBW-JTQLQIEISA-N 1 2 386.265 4.084 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccccc2N2CCCCCC2)c1C ZINC000051587831 822767303 /nfs/dbraw/zinc/76/73/03/822767303.db2.gz VKNWJXPFLIDHNG-UHFFFAOYSA-N 1 2 382.508 4.409 20 0 GIADLO CCCCOc1ccc(-c2nnc(C[N@H+](C)Cc3ccc4c(c3)OCO4)o2)cc1 ZINC000051588775 822767614 /nfs/dbraw/zinc/76/76/14/822767614.db2.gz IRHHWMXYZYGEIF-UHFFFAOYSA-N 1 2 395.459 4.276 20 0 GIADLO CCCCOc1ccc(-c2nnc(C[N@@H+](C)Cc3ccc4c(c3)OCO4)o2)cc1 ZINC000051588775 822767616 /nfs/dbraw/zinc/76/76/16/822767616.db2.gz IRHHWMXYZYGEIF-UHFFFAOYSA-N 1 2 395.459 4.276 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(OCc3cccnc3)c2)c1C ZINC000051615933 822768805 /nfs/dbraw/zinc/76/88/05/822768805.db2.gz SUXCYGLXFGLAEP-UHFFFAOYSA-N 1 2 392.459 4.003 20 0 GIADLO C[C@H]1CC=C(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000456055313 822772046 /nfs/dbraw/zinc/77/20/46/822772046.db2.gz LMWXIQGRQHBDTK-AWEZNQCLSA-N 1 2 392.297 4.014 20 0 GIADLO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185414681 822780840 /nfs/dbraw/zinc/78/08/40/822780840.db2.gz UOIBFUHNMUCQLZ-AOMKIAJQSA-N 1 2 394.494 4.389 20 0 GIADLO Cc1nc(C(F)(F)F)c(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)s1 ZINC000185459421 822786973 /nfs/dbraw/zinc/78/69/73/822786973.db2.gz DOGJTNHLOKXRAL-LLVKDONJSA-N 1 2 375.485 4.411 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000174421565 822787879 /nfs/dbraw/zinc/78/78/79/822787879.db2.gz GZWMWHANLMBNBK-UHFFFAOYSA-N 1 2 382.851 4.126 20 0 GIADLO OC1(c2ccccc2)CC[NH+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000185487950 822789852 /nfs/dbraw/zinc/78/98/52/822789852.db2.gz JTSNISCUSJATIB-UHFFFAOYSA-N 1 2 395.528 4.161 20 0 GIADLO O=C(c1ccccc1Oc1cccnc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000052147316 822791362 /nfs/dbraw/zinc/79/13/62/822791362.db2.gz KJWMLEDCZDGYIB-JXMROGBWSA-N 1 2 399.494 4.345 20 0 GIADLO COc1cccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2ccccc2Cl)c1OC ZINC000052162847 822791896 /nfs/dbraw/zinc/79/18/96/822791896.db2.gz VSOGTRVJMAPHSE-OAHLLOKOSA-N 1 2 390.911 4.009 20 0 GIADLO COc1cccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2ccccc2Cl)c1OC ZINC000052162847 822791898 /nfs/dbraw/zinc/79/18/98/822791898.db2.gz VSOGTRVJMAPHSE-OAHLLOKOSA-N 1 2 390.911 4.009 20 0 GIADLO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2ccccc2Cl)cc1OC ZINC000052163103 822791945 /nfs/dbraw/zinc/79/19/45/822791945.db2.gz ZLHPEVUHTLDWJW-HNNXBMFYSA-N 1 2 390.911 4.009 20 0 GIADLO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2Cl)cc1OC ZINC000052163103 822791947 /nfs/dbraw/zinc/79/19/47/822791947.db2.gz ZLHPEVUHTLDWJW-HNNXBMFYSA-N 1 2 390.911 4.009 20 0 GIADLO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000052283227 822795608 /nfs/dbraw/zinc/79/56/08/822795608.db2.gz VWBTZEPVFKAONH-SNVBAGLBSA-N 1 2 382.411 4.275 20 0 GIADLO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000052283227 822795612 /nfs/dbraw/zinc/79/56/12/822795612.db2.gz VWBTZEPVFKAONH-SNVBAGLBSA-N 1 2 382.411 4.275 20 0 GIADLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000052455256 822800400 /nfs/dbraw/zinc/80/04/00/822800400.db2.gz XQAXKHKOJRPPBJ-OAQYLSRUSA-N 1 2 397.494 4.083 20 0 GIADLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000052455256 822800402 /nfs/dbraw/zinc/80/04/02/822800402.db2.gz XQAXKHKOJRPPBJ-OAQYLSRUSA-N 1 2 397.494 4.083 20 0 GIADLO CN(Cc1ccoc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000052525189 822802653 /nfs/dbraw/zinc/80/26/53/822802653.db2.gz KWIBBIFBLGMJQE-KRWDZBQOSA-N 1 2 379.863 4.051 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000456401903 822804693 /nfs/dbraw/zinc/80/46/93/822804693.db2.gz NCCYZEBVJYRCGJ-UHFFFAOYSA-N 1 2 399.416 4.298 20 0 GIADLO Cc1cccc(-c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3N3CCOCC3)o2)c1 ZINC000052686746 822807175 /nfs/dbraw/zinc/80/71/75/822807175.db2.gz ZBFARVHCUMNSGE-GOSISDBHSA-N 1 2 392.503 4.075 20 0 GIADLO Cc1cccc(-c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3N3CCOCC3)o2)c1 ZINC000052686746 822807179 /nfs/dbraw/zinc/80/71/79/822807179.db2.gz ZBFARVHCUMNSGE-GOSISDBHSA-N 1 2 392.503 4.075 20 0 GIADLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000052747637 822809364 /nfs/dbraw/zinc/80/93/64/822809364.db2.gz RJSWVIMTYFXLSD-UHFFFAOYSA-N 1 2 393.350 4.213 20 0 GIADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(-c3csc(C)n3)c2)on1 ZINC000052821820 822812086 /nfs/dbraw/zinc/81/20/86/822812086.db2.gz YHLNYLOJRTUTEA-SFHVURJKSA-N 1 2 382.489 4.191 20 0 GIADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(-c3csc(C)n3)c2)on1 ZINC000052821820 822812089 /nfs/dbraw/zinc/81/20/89/822812089.db2.gz YHLNYLOJRTUTEA-SFHVURJKSA-N 1 2 382.489 4.191 20 0 GIADLO Cc1ccc(C[N@@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)[C@@H]2CCc3ccccc32)cc1 ZINC000052829522 822812190 /nfs/dbraw/zinc/81/21/90/822812190.db2.gz PHSYXHKYJPNHMJ-OAQYLSRUSA-N 1 2 399.498 4.067 20 0 GIADLO Cc1ccc(C[N@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)[C@@H]2CCc3ccccc32)cc1 ZINC000052829522 822812192 /nfs/dbraw/zinc/81/21/92/822812192.db2.gz PHSYXHKYJPNHMJ-OAQYLSRUSA-N 1 2 399.498 4.067 20 0 GIADLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000052847710 822812654 /nfs/dbraw/zinc/81/26/54/822812654.db2.gz FKEJVDGHSDNLBU-UHFFFAOYSA-N 1 2 385.352 4.303 20 0 GIADLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847710 822812657 /nfs/dbraw/zinc/81/26/57/822812657.db2.gz FKEJVDGHSDNLBU-UHFFFAOYSA-N 1 2 385.352 4.303 20 0 GIADLO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1cc(Br)cs1 ZINC000052847695 822812763 /nfs/dbraw/zinc/81/27/63/822812763.db2.gz WJVZEAAPZUQFCE-UHFFFAOYSA-N 1 2 391.693 4.374 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1cc(Br)cs1 ZINC000052847695 822812766 /nfs/dbraw/zinc/81/27/66/822812766.db2.gz WJVZEAAPZUQFCE-UHFFFAOYSA-N 1 2 391.693 4.374 20 0 GIADLO Cc1ccc(F)c(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000174632796 822815117 /nfs/dbraw/zinc/81/51/17/822815117.db2.gz DAACNQAYTUUORK-JOCHJYFZSA-N 1 2 383.488 4.417 20 0 GIADLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccccn2)c2ccc(Cl)cc2)c1 ZINC000174636029 822815639 /nfs/dbraw/zinc/81/56/39/822815639.db2.gz ULUCRYSKTVNUJK-FQEVSTJZSA-N 1 2 386.904 4.018 20 0 GIADLO Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000052926420 822815875 /nfs/dbraw/zinc/81/58/75/822815875.db2.gz BNNBXIBMLQIRCO-UHFFFAOYSA-N 1 2 392.440 4.340 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(Br)s3)n2)c1 ZINC000174656360 822818970 /nfs/dbraw/zinc/81/89/70/822818970.db2.gz LNOGKOGXBYCSIR-SNVBAGLBSA-N 1 2 394.294 4.420 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000174662936 822820435 /nfs/dbraw/zinc/82/04/35/822820435.db2.gz PPKVASYDGWNOAU-YKSBVNFPSA-N 1 2 387.483 4.195 20 0 GIADLO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1OC(F)F ZINC000174668156 822821004 /nfs/dbraw/zinc/82/10/04/822821004.db2.gz NOXCXDGGLXPDFQ-NSHDSACASA-N 1 2 393.365 4.337 20 0 GIADLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+](C)Cc3cnc(C)s3)ccc2c1 ZINC000053154163 822824003 /nfs/dbraw/zinc/82/40/03/822824003.db2.gz DDAXDJCEDZJLBO-OAHLLOKOSA-N 1 2 397.544 4.092 20 0 GIADLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc3cnc(C)s3)ccc2c1 ZINC000053154163 822824004 /nfs/dbraw/zinc/82/40/04/822824004.db2.gz DDAXDJCEDZJLBO-OAHLLOKOSA-N 1 2 397.544 4.092 20 0 GIADLO COc1ccc2c(c1)nc(C[NH2+]Cc1c(C)nn(-c3ccccc3)c1Cl)n2C ZINC000185832748 822825423 /nfs/dbraw/zinc/82/54/23/822825423.db2.gz IRPSUMWXZZUPEU-UHFFFAOYSA-N 1 2 395.894 4.019 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)c1oc2ccccc2c1COc1ccccc1Cl ZINC000174759002 822833557 /nfs/dbraw/zinc/83/35/57/822833557.db2.gz LMIIUULYPNCLQN-UHFFFAOYSA-N 1 2 395.846 4.361 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000174760144 822833644 /nfs/dbraw/zinc/83/36/44/822833644.db2.gz ZZOBXSZIEWCOAS-DHLKQENFSA-N 1 2 389.543 4.051 20 0 GIADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000456811153 822833717 /nfs/dbraw/zinc/83/37/17/822833717.db2.gz OSHBFNKAINAHCU-UHFFFAOYSA-N 1 2 381.426 4.245 20 0 GIADLO O=C(Nc1cccc(-c2cc[nH]n2)c1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000185942076 822835643 /nfs/dbraw/zinc/83/56/43/822835643.db2.gz PFHAQZYTJZEMOU-FGZHOGPDSA-N 1 2 398.470 4.324 20 0 GIADLO CC[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000185956411 822836974 /nfs/dbraw/zinc/83/69/74/822836974.db2.gz YYLXPOYRLQDQJZ-LBPRGKRZSA-N 1 2 391.846 4.172 20 0 GIADLO CC[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000185958026 822837380 /nfs/dbraw/zinc/83/73/80/822837380.db2.gz ZVGJAXKGQHSXEY-GFCCVEGCSA-N 1 2 376.375 4.329 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1nc(C(F)(F)F)cs1 ZINC000185958801 822837518 /nfs/dbraw/zinc/83/75/18/822837518.db2.gz DVGIFLFNTAAEPK-VIFPVBQESA-N 1 2 390.431 4.127 20 0 GIADLO Cc1ccc(-n2ncc(C(=O)NCc3c[nH+]c(C)cc3C)c2C(F)(F)F)cc1 ZINC000456868668 822839273 /nfs/dbraw/zinc/83/92/73/822839273.db2.gz XKNDKSKQXYFPGJ-UHFFFAOYSA-N 1 2 388.393 4.141 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000185972037 822839557 /nfs/dbraw/zinc/83/95/57/822839557.db2.gz XRRMPCXXSPYHFW-ZDEQEGDKSA-N 1 2 377.476 4.144 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)C(=O)NCC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185973383 822839812 /nfs/dbraw/zinc/83/98/12/822839812.db2.gz KVSNZBOPPZJSIH-AAEUAGOBSA-N 1 2 377.476 4.288 20 0 GIADLO COc1ccc(C[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C2CC2)cc1 ZINC000053604182 822842314 /nfs/dbraw/zinc/84/23/14/822842314.db2.gz YFSDMNKDRLUPOS-UHFFFAOYSA-N 1 2 393.512 4.082 20 0 GIADLO COc1ccc(C[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C2CC2)cc1 ZINC000053604182 822842315 /nfs/dbraw/zinc/84/23/15/822842315.db2.gz YFSDMNKDRLUPOS-UHFFFAOYSA-N 1 2 393.512 4.082 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000053604490 822842534 /nfs/dbraw/zinc/84/25/34/822842534.db2.gz HUCNBSWNXBMLGL-KRWDZBQOSA-N 1 2 383.542 4.480 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000053604490 822842537 /nfs/dbraw/zinc/84/25/37/822842537.db2.gz HUCNBSWNXBMLGL-KRWDZBQOSA-N 1 2 383.542 4.480 20 0 GIADLO NC(=O)c1ccc(-c2nc(C[N@H+](Cc3cccc(F)c3)C3CC3)cs2)cc1 ZINC000053611226 822842717 /nfs/dbraw/zinc/84/27/17/822842717.db2.gz FBBALNAUFHUEES-UHFFFAOYSA-N 1 2 381.476 4.213 20 0 GIADLO NC(=O)c1ccc(-c2nc(C[N@@H+](Cc3cccc(F)c3)C3CC3)cs2)cc1 ZINC000053611226 822842719 /nfs/dbraw/zinc/84/27/19/822842719.db2.gz FBBALNAUFHUEES-UHFFFAOYSA-N 1 2 381.476 4.213 20 0 GIADLO CC(C)c1ccc(-c2ncc(C[NH2+][C@](C)(C(N)=O)c3ccccc3)s2)cc1 ZINC000174837616 822844299 /nfs/dbraw/zinc/84/42/99/822844299.db2.gz LYGUJZMXLOXUFB-QFIPXVFZSA-N 1 2 379.529 4.424 20 0 GIADLO Fc1cccc([C@@H]2C[C@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1F ZINC000174838690 822844464 /nfs/dbraw/zinc/84/44/64/822844464.db2.gz CGNPHTZKUXAAOR-ZWKOTPCHSA-N 1 2 397.425 4.118 20 0 GIADLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc(C(F)(F)F)cs1 ZINC000174849519 822846176 /nfs/dbraw/zinc/84/61/76/822846176.db2.gz IYXBITLMXUKMAS-CYBMUJFWSA-N 1 2 380.395 4.229 20 0 GIADLO COc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cc(OC)ccc3OC)o2)cc1 ZINC000053782077 822847880 /nfs/dbraw/zinc/84/78/80/822847880.db2.gz RCCYMFOFNFGDSM-IBGZPJMESA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cc(OC)ccc3OC)o2)cc1 ZINC000053782077 822847882 /nfs/dbraw/zinc/84/78/82/822847882.db2.gz RCCYMFOFNFGDSM-IBGZPJMESA-N 1 2 395.459 4.100 20 0 GIADLO CCc1c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1ccc(Cl)cc1 ZINC000186095397 822851020 /nfs/dbraw/zinc/85/10/20/822851020.db2.gz TWJJWFXACDQLKW-MGPUTAFESA-N 1 2 397.910 4.008 20 0 GIADLO Fc1cc(F)cc(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)c1 ZINC000186095513 822851070 /nfs/dbraw/zinc/85/10/70/822851070.db2.gz VCVSQDXDNQZIPO-SFHVURJKSA-N 1 2 390.231 4.397 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(-n2cccc2)c1 ZINC000174894284 822851931 /nfs/dbraw/zinc/85/19/31/822851931.db2.gz WETAOCCBBPJTMU-UHFFFAOYSA-N 1 2 388.515 4.251 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc2cc(F)ccc2o1 ZINC000174896064 822852068 /nfs/dbraw/zinc/85/20/68/822852068.db2.gz HECZHSBHYKTQED-UHFFFAOYSA-N 1 2 381.451 4.346 20 0 GIADLO C[C@@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cn(C)c2ccccc12 ZINC000186108434 822852324 /nfs/dbraw/zinc/85/23/24/822852324.db2.gz NKUNZUTWSZXIQS-OAHLLOKOSA-N 1 2 382.533 4.363 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc2c(s1)CCCC2 ZINC000174899708 822852525 /nfs/dbraw/zinc/85/25/25/822852525.db2.gz JWBXAYAYQBTFAW-UHFFFAOYSA-N 1 2 383.561 4.401 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1ccccc1Cl ZINC000174901923 822853034 /nfs/dbraw/zinc/85/30/34/822853034.db2.gz OOFWZHBYXSWBHG-UHFFFAOYSA-N 1 2 385.939 4.433 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccccc1OCC1CC1 ZINC000174911599 822854598 /nfs/dbraw/zinc/85/45/98/822854598.db2.gz QJUOGMNYJRGTCI-UHFFFAOYSA-N 1 2 393.531 4.249 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1nc(Cl)ccc1Cl ZINC000174913368 822854868 /nfs/dbraw/zinc/85/48/68/822854868.db2.gz IDUXZSSBQLSYLZ-UHFFFAOYSA-N 1 2 393.318 4.162 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCCOc1ccccc1F ZINC000174914630 822855235 /nfs/dbraw/zinc/85/52/35/822855235.db2.gz QMLASXHJDOSLDW-UHFFFAOYSA-N 1 2 399.510 4.145 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000186154558 822856467 /nfs/dbraw/zinc/85/64/67/822856467.db2.gz ZPSPBCFIOJGXQL-GFCCVEGCSA-N 1 2 385.817 4.187 20 0 GIADLO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000054068531 822861131 /nfs/dbraw/zinc/86/11/31/822861131.db2.gz DIJFFDYCBPATRT-LBPRGKRZSA-N 1 2 397.281 4.120 20 0 GIADLO O=C(Nc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1)C1CC1 ZINC000174958846 822861335 /nfs/dbraw/zinc/86/13/35/822861335.db2.gz SQLPRLYEFJDMJR-NRFANRHFSA-N 1 2 395.478 4.167 20 0 GIADLO O=C(Nc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1)C1CC1 ZINC000174958846 822861337 /nfs/dbraw/zinc/86/13/37/822861337.db2.gz SQLPRLYEFJDMJR-NRFANRHFSA-N 1 2 395.478 4.167 20 0 GIADLO CC1(C)C[NH+](CC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)C1 ZINC000569000260 822868865 /nfs/dbraw/zinc/86/88/65/822868865.db2.gz KSOLQDOYNGBJDR-ZDUSSCGKSA-N 1 2 382.348 4.157 20 0 GIADLO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224260 822869132 /nfs/dbraw/zinc/86/91/32/822869132.db2.gz AOQPAJMUJJSRDQ-UHFFFAOYSA-N 1 2 376.391 4.156 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cc1Br ZINC000054224581 822869629 /nfs/dbraw/zinc/86/96/29/822869629.db2.gz XITUNODOEYJDHX-UHFFFAOYSA-N 1 2 378.176 4.165 20 0 GIADLO CCOc1ccccc1OCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224975 822869634 /nfs/dbraw/zinc/86/96/34/822869634.db2.gz FVRSBLOZBHXPNU-UHFFFAOYSA-N 1 2 383.423 4.208 20 0 GIADLO C/C=C/c1ccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(OC)c1 ZINC000054224856 822869650 /nfs/dbraw/zinc/86/96/50/822869650.db2.gz VHFKRLFWOPPDKP-ONEGZZNKSA-N 1 2 381.407 4.071 20 0 GIADLO CC(C)[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)cc1 ZINC000569018451 822870291 /nfs/dbraw/zinc/87/02/91/822870291.db2.gz LGAYAQVWBKXJQB-UXHICEINSA-N 1 2 387.911 4.338 20 0 GIADLO COc1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)c(OC2CCCC2)c1 ZINC000175028238 822870534 /nfs/dbraw/zinc/87/05/34/822870534.db2.gz BUBBPPPXVJMEGQ-HSZRJFAPSA-N 1 2 394.515 4.126 20 0 GIADLO CC[C@@H](CC(F)F)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000457400001 822873012 /nfs/dbraw/zinc/87/30/12/822873012.db2.gz YPALBTGBPGEIRY-AWEZNQCLSA-N 1 2 379.476 4.321 20 0 GIADLO CC[C@@H](CC(F)F)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000457400001 822873016 /nfs/dbraw/zinc/87/30/16/822873016.db2.gz YPALBTGBPGEIRY-AWEZNQCLSA-N 1 2 379.476 4.321 20 0 GIADLO Cc1cc(Br)c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000457459032 822876864 /nfs/dbraw/zinc/87/68/64/822876864.db2.gz NFRHWNDQCKWJSW-UHFFFAOYSA-N 1 2 394.338 4.134 20 0 GIADLO CCCCOc1cccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000054451484 822887297 /nfs/dbraw/zinc/88/72/97/822887297.db2.gz QECWKQPZUUQPHL-UHFFFAOYSA-N 1 2 378.476 4.432 20 0 GIADLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000186397302 822887913 /nfs/dbraw/zinc/88/79/13/822887913.db2.gz UKHLWXRKVRZJRV-QFIPXVFZSA-N 1 2 380.444 4.031 20 0 GIADLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000186397302 822887915 /nfs/dbraw/zinc/88/79/15/822887915.db2.gz UKHLWXRKVRZJRV-QFIPXVFZSA-N 1 2 380.444 4.031 20 0 GIADLO CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000457550968 822889403 /nfs/dbraw/zinc/88/94/03/822889403.db2.gz DMBDWVALQHRYRL-DHIUTWEWSA-N 1 2 388.515 4.409 20 0 GIADLO C[C@](Cc1ccccc1)(NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000457549987 822889566 /nfs/dbraw/zinc/88/95/66/822889566.db2.gz AZQFMVCGNIQZSS-XMMPIXPASA-N 1 2 388.515 4.142 20 0 GIADLO CC1CCC([N@H+](C)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)CC1 ZINC000054513921 822892107 /nfs/dbraw/zinc/89/21/07/822892107.db2.gz UQPKVJDUDWQFRE-UHFFFAOYSA-N 1 2 379.426 4.397 20 0 GIADLO CC1CCC([N@@H+](C)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)CC1 ZINC000054513921 822892113 /nfs/dbraw/zinc/89/21/13/822892113.db2.gz UQPKVJDUDWQFRE-UHFFFAOYSA-N 1 2 379.426 4.397 20 0 GIADLO Cc1cccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1Cl ZINC000175154536 822893474 /nfs/dbraw/zinc/89/34/74/822893474.db2.gz IBZFRQYMGVCOLN-UHFFFAOYSA-N 1 2 382.851 4.126 20 0 GIADLO CCCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000054541787 822894158 /nfs/dbraw/zinc/89/41/58/822894158.db2.gz YCWRJIJGSBIOPN-KRWDZBQOSA-N 1 2 387.524 4.026 20 0 GIADLO CC[N@H+](CCc1ccccc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000054545031 822894346 /nfs/dbraw/zinc/89/43/46/822894346.db2.gz CNVCKHJMGRKIMZ-UHFFFAOYSA-N 1 2 379.533 4.333 20 0 GIADLO CC[N@@H+](CCc1ccccc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000054545031 822894350 /nfs/dbraw/zinc/89/43/50/822894350.db2.gz CNVCKHJMGRKIMZ-UHFFFAOYSA-N 1 2 379.533 4.333 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@H+](C)Cc2cc3ccccc3o2)cc1Cl ZINC000175176205 822897968 /nfs/dbraw/zinc/89/79/68/822897968.db2.gz LBXVJRAWVKKFAK-UHFFFAOYSA-N 1 2 388.851 4.174 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@@H+](C)Cc2cc3ccccc3o2)cc1Cl ZINC000175176205 822897972 /nfs/dbraw/zinc/89/79/72/822897972.db2.gz LBXVJRAWVKKFAK-UHFFFAOYSA-N 1 2 388.851 4.174 20 0 GIADLO O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000569266783 822898339 /nfs/dbraw/zinc/89/83/39/822898339.db2.gz XPLZYHICLMDZSJ-UHFFFAOYSA-N 1 2 375.350 4.342 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1(c3cccc(C(F)(F)F)c3)CC1)C2 ZINC000569290587 822902452 /nfs/dbraw/zinc/90/24/52/822902452.db2.gz BXWSZTBABWORSK-CYBMUJFWSA-N 1 2 391.437 4.462 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1(c3cccc(C(F)(F)F)c3)CC1)CC2 ZINC000569290587 822902455 /nfs/dbraw/zinc/90/24/55/822902455.db2.gz BXWSZTBABWORSK-CYBMUJFWSA-N 1 2 391.437 4.462 20 0 GIADLO Cc1ccc(OCc2nc(C[N@@H+]3CCSC4(CCOCC4)C3)cs2)cc1 ZINC000186481526 822902422 /nfs/dbraw/zinc/90/24/22/822902422.db2.gz HVVZJESDDHJPGB-UHFFFAOYSA-N 1 2 390.574 4.129 20 0 GIADLO Cc1ccc(OCc2nc(C[N@H+]3CCSC4(CCOCC4)C3)cs2)cc1 ZINC000186481526 822902425 /nfs/dbraw/zinc/90/24/25/822902425.db2.gz HVVZJESDDHJPGB-UHFFFAOYSA-N 1 2 390.574 4.129 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(C)(C)Cc1ccc(Cl)cc1 ZINC000457665441 822903368 /nfs/dbraw/zinc/90/33/68/822903368.db2.gz KYWFCHCWPAPXHA-UHFFFAOYSA-N 1 2 387.911 4.087 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457709678 822909356 /nfs/dbraw/zinc/90/93/56/822909356.db2.gz OAAVDRIYANEFLU-LKTVYLICSA-N 1 2 380.813 4.319 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)CC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457709678 822909362 /nfs/dbraw/zinc/90/93/62/822909362.db2.gz OAAVDRIYANEFLU-LKTVYLICSA-N 1 2 380.813 4.319 20 0 GIADLO COc1ccccc1[C@H](CC(C)C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000175234266 822910696 /nfs/dbraw/zinc/91/06/96/822910696.db2.gz MBWHMGHNQRCUCP-FQEVSTJZSA-N 1 2 396.535 4.277 20 0 GIADLO COc1ccc([C@@H]([NH2+]Cc2ccc(OC)nc2OC)c2ccc(F)cc2)cc1 ZINC000569373767 822912804 /nfs/dbraw/zinc/91/28/04/822912804.db2.gz YDGKLDBUADZRAR-NRFANRHFSA-N 1 2 382.435 4.126 20 0 GIADLO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000569391229 822915643 /nfs/dbraw/zinc/91/56/43/822915643.db2.gz GDVNGXARKDFKST-LJQANCHMSA-N 1 2 383.879 4.059 20 0 GIADLO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000054820547 822915806 /nfs/dbraw/zinc/91/58/06/822915806.db2.gz CUWHZWZPHCXBLU-INIZCTEOSA-N 1 2 383.521 4.156 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000569406605 822917799 /nfs/dbraw/zinc/91/77/99/822917799.db2.gz AVBNCORAMDBPOF-UHFFFAOYSA-N 1 2 388.924 4.074 20 0 GIADLO Cc1c([C@@H](C)[NH2+]Cc2cc(Cl)cc3c2OCC3)nnn1-c1ccc(F)cc1 ZINC000186617059 822924192 /nfs/dbraw/zinc/92/41/92/822924192.db2.gz DEDMNJDHGLJSDG-GFCCVEGCSA-N 1 2 386.858 4.154 20 0 GIADLO COc1ccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1OC(C)C ZINC000186643804 822928516 /nfs/dbraw/zinc/92/85/16/822928516.db2.gz ZSTFHGIBYIKJBD-UHFFFAOYSA-N 1 2 399.516 4.310 20 0 GIADLO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000569499025 822930178 /nfs/dbraw/zinc/93/01/78/822930178.db2.gz AEGFCVQXPKWZPK-OAHLLOKOSA-N 1 2 399.878 4.251 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC(c2ccsc2)CC1 ZINC000186655147 822930455 /nfs/dbraw/zinc/93/04/55/822930455.db2.gz KINYTPRDIKIWEA-UHFFFAOYSA-N 1 2 380.517 4.082 20 0 GIADLO Cc1csc(Nc2ccc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)n1 ZINC000569515706 822932909 /nfs/dbraw/zinc/93/29/09/822932909.db2.gz TXKNXHRGANNNMI-KDOFPFPSSA-N 1 2 381.505 4.115 20 0 GIADLO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000175329596 822936842 /nfs/dbraw/zinc/93/68/42/822936842.db2.gz VGGNUSRENHZVKL-UHFFFAOYSA-N 1 2 399.292 4.266 20 0 GIADLO C[C@H]1CCN(C(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)c2ccccc2S1 ZINC000569588313 822942795 /nfs/dbraw/zinc/94/27/95/822942795.db2.gz JZSSLEIAPOADLR-KRWDZBQOSA-N 1 2 379.529 4.088 20 0 GIADLO C[C@H]1CCN(C(=O)C[N@H+]2CCC=C(c3ccccn3)C2)c2ccccc2S1 ZINC000569588313 822942796 /nfs/dbraw/zinc/94/27/96/822942796.db2.gz JZSSLEIAPOADLR-KRWDZBQOSA-N 1 2 379.529 4.088 20 0 GIADLO CC1(C)C[C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c2ccc(F)cc2O1 ZINC000569687801 822955458 /nfs/dbraw/zinc/95/54/58/822955458.db2.gz RRKGOURHINUAOW-RBUKOAKNSA-N 1 2 393.462 4.489 20 0 GIADLO Cc1ccccc1C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000569714044 822958097 /nfs/dbraw/zinc/95/80/97/822958097.db2.gz ULIVEDRRBTYZMW-UHFFFAOYSA-N 1 2 398.304 4.297 20 0 GIADLO Cc1sc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)nc1-c1c(F)cc(F)cc1F ZINC000569761280 822964919 /nfs/dbraw/zinc/96/49/19/822964919.db2.gz GZXLLGPJTAVQRC-SNVBAGLBSA-N 1 2 392.406 4.318 20 0 GIADLO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000175432976 822967549 /nfs/dbraw/zinc/96/75/49/822967549.db2.gz SWUKYUZELIUBFS-VGSWGCGISA-N 1 2 392.478 4.363 20 0 GIADLO Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)nc2)cc1 ZINC000569786908 822968915 /nfs/dbraw/zinc/96/89/15/822968915.db2.gz ZJFDIVPBENWQEN-DYESRHJHSA-N 1 2 376.460 4.102 20 0 GIADLO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000569870271 822978511 /nfs/dbraw/zinc/97/85/11/822978511.db2.gz YIOOGHVUGQHURH-QGZVFWFLSA-N 1 2 394.441 4.085 20 0 GIADLO C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ncc(Br)cc1F ZINC000186921470 822980445 /nfs/dbraw/zinc/98/04/45/822980445.db2.gz IXRBYCYBLWMNFB-BBRMVZONSA-N 1 2 396.304 4.454 20 0 GIADLO Brc1cccc(-c2noc(C[NH2+][C@H](c3cccnc3)C3CC3)n2)c1 ZINC000569889885 822981253 /nfs/dbraw/zinc/98/12/53/822981253.db2.gz SKRRQIQTGFGEAU-KRWDZBQOSA-N 1 2 385.265 4.135 20 0 GIADLO O=C(Nc1c(-c2cccs2)nc2ccccn21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000569891632 822981480 /nfs/dbraw/zinc/98/14/80/822981480.db2.gz BWNHFEQJGYAPRX-AWEZNQCLSA-N 1 2 392.488 4.197 20 0 GIADLO O=C([C@H]1CCCCCC(=O)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000569903106 822983725 /nfs/dbraw/zinc/98/37/25/822983725.db2.gz HYPHVMNCTQWKSS-SFHVURJKSA-N 1 2 387.911 4.105 20 0 GIADLO Cc1ccc(C(C)(C)CN(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000175563144 822998506 /nfs/dbraw/zinc/99/85/06/822998506.db2.gz GXDYOSASPXSFIP-UHFFFAOYSA-N 1 2 390.531 4.359 20 0 GIADLO COc1ccccc1COc1cccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1C ZINC000570215513 823016086 /nfs/dbraw/zinc/01/60/86/823016086.db2.gz INGGFGXIZDKKSC-MRXNPFEDSA-N 1 2 379.460 4.369 20 0 GIADLO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)c1cscn1 ZINC000570345861 823027499 /nfs/dbraw/zinc/02/74/99/823027499.db2.gz XFWNDRFPIOSEEW-GFCCVEGCSA-N 1 2 377.311 4.251 20 0 GIADLO Cc1ccc(C[S@@](=O)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(C)[nH+]1 ZINC000187233386 823028545 /nfs/dbraw/zinc/02/85/45/823028545.db2.gz UXNNFMSJDLZAEY-XELLLNAOSA-N 1 2 399.343 4.131 20 0 GIADLO O=C(NCCOc1cccc(Cl)c1Cl)c1cccc(Cn2cc[nH+]c2)c1 ZINC000055732686 823034262 /nfs/dbraw/zinc/03/42/62/823034262.db2.gz JEEQUOKKBYPVCG-UHFFFAOYSA-N 1 2 390.270 4.047 20 0 GIADLO CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000175766498 823034886 /nfs/dbraw/zinc/03/48/86/823034886.db2.gz FBBJXOWNRZSFIL-IBGZPJMESA-N 1 2 379.460 4.067 20 0 GIADLO Cc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(C)[nH+]1 ZINC000187277813 823035926 /nfs/dbraw/zinc/03/59/26/823035926.db2.gz RXGRHMSQFVSHNE-UHFFFAOYSA-N 1 2 377.473 4.286 20 0 GIADLO Cc1ccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c(C)[nH+]1 ZINC000187283744 823036659 /nfs/dbraw/zinc/03/66/59/823036659.db2.gz VCUCGDOGXGALDJ-MRXNPFEDSA-N 1 2 386.546 4.490 20 0 GIADLO CC(=O)Nc1cccc(CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000570444118 823039322 /nfs/dbraw/zinc/03/93/22/823039322.db2.gz CDSDECAWSUVLPL-UHFFFAOYSA-N 1 2 388.471 4.026 20 0 GIADLO CC[C@H](OC1CCCCC1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000123803047 823542139 /nfs/dbraw/zinc/54/21/39/823542139.db2.gz FOGJDLXZTBHZMT-SVMVAKDDSA-N 1 2 388.552 4.362 20 0 GIADLO CC[C@H](OC1CCCCC1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000123803047 823542143 /nfs/dbraw/zinc/54/21/43/823542143.db2.gz FOGJDLXZTBHZMT-SVMVAKDDSA-N 1 2 388.552 4.362 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000177897981 823543529 /nfs/dbraw/zinc/54/35/29/823543529.db2.gz DDIIFTPGRJLVMH-GFCCVEGCSA-N 1 2 398.841 4.162 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000123877802 823548736 /nfs/dbraw/zinc/54/87/36/823548736.db2.gz QMXPNYBKXOOADC-UHFFFAOYSA-N 1 2 381.505 4.124 20 0 GIADLO CCC(CC)[C@H](C(=O)Nc1ccc(Oc2cccnc2)c(C)c1)[NH+]1CCOCC1 ZINC000460952091 823549581 /nfs/dbraw/zinc/54/95/81/823549581.db2.gz AIBTWNITJDLOCY-JOCHJYFZSA-N 1 2 397.519 4.258 20 0 GIADLO CC(C)(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1F ZINC000190202913 823550338 /nfs/dbraw/zinc/55/03/38/823550338.db2.gz SNDJJOBFPPVOIX-UHFFFAOYSA-N 1 2 385.870 4.318 20 0 GIADLO Cc1cc(N)nc(S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)[nH+]1 ZINC000060710173 823553552 /nfs/dbraw/zinc/55/35/52/823553552.db2.gz NUOYFFAVOFBQEP-LLVKDONJSA-N 1 2 395.513 4.186 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(OCc2ccccn2)cc1 ZINC000460976777 823554446 /nfs/dbraw/zinc/55/44/46/823554446.db2.gz FNWQLUOYUAUBNR-UHFFFAOYSA-N 1 2 388.402 4.238 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)c(C)[nH+]1 ZINC000411209960 823557503 /nfs/dbraw/zinc/55/75/03/823557503.db2.gz OYHMVWDICIQNBL-HNNXBMFYSA-N 1 2 385.533 4.323 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2cccc(Cl)c2Cl)c(C)[nH+]1 ZINC000411237945 823559565 /nfs/dbraw/zinc/55/95/65/823559565.db2.gz HYSHIHAVETURGH-LLVKDONJSA-N 1 2 380.275 4.130 20 0 GIADLO O=C(C[C@H](c1ccc(O)cc1)C1CC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000411237221 823559650 /nfs/dbraw/zinc/55/96/50/823559650.db2.gz JPOLWYYFVQKDLU-IBGZPJMESA-N 1 2 385.533 4.357 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)c(C)[nH+]1 ZINC000411261215 823560880 /nfs/dbraw/zinc/56/08/80/823560880.db2.gz PKKHZOWFRKIXLO-BAXPTACRSA-N 1 2 385.895 4.112 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](c2ccccc2F)C2CCCC2)c(C)[nH+]1 ZINC000411303057 823563551 /nfs/dbraw/zinc/56/35/51/823563551.db2.gz UITFYLLTNCZEFR-HXUWFJFHSA-N 1 2 383.467 4.132 20 0 GIADLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccc(Cl)cc3)CCCCCC2)no1 ZINC000411347804 823565713 /nfs/dbraw/zinc/56/57/13/823565713.db2.gz KFRUZVQIHWHQEV-UHFFFAOYSA-N 1 2 376.888 4.199 20 0 GIADLO CC(C)n1ccnc1C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124102640 823567844 /nfs/dbraw/zinc/56/78/44/823567844.db2.gz ZVKXJETUKRPCKV-FQEVSTJZSA-N 1 2 377.467 4.484 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000190434743 823573321 /nfs/dbraw/zinc/57/33/21/823573321.db2.gz RVICVHPUPPZMOK-UHFFFAOYSA-N 1 2 394.523 4.192 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ncoc3-c3ccc(C)cc3)CC2)s1 ZINC000461087488 823574228 /nfs/dbraw/zinc/57/42/28/823574228.db2.gz KPPYLFFDJXBCSN-UHFFFAOYSA-N 1 2 395.528 4.232 20 0 GIADLO O=C(C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1)N1CCCCC1 ZINC000061039911 823575009 /nfs/dbraw/zinc/57/50/09/823575009.db2.gz XKSPXMWXPUXGTI-UHFFFAOYSA-N 1 2 399.760 4.327 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000124182561 823575271 /nfs/dbraw/zinc/57/52/71/823575271.db2.gz ZTTCSCKDSLYFOZ-BNEJOLLZSA-N 1 2 377.410 4.115 20 0 GIADLO CC[C@@]1(C)Oc2ccc(NC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)cc2O1 ZINC000190449913 823575938 /nfs/dbraw/zinc/57/59/38/823575938.db2.gz SRKMEVZVMWKHRX-QFIPXVFZSA-N 1 2 392.459 4.151 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000190465022 823578125 /nfs/dbraw/zinc/57/81/25/823578125.db2.gz KGBUGCLCPUSLEA-KRWDZBQOSA-N 1 2 395.507 4.283 20 0 GIADLO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](c1ccccc1Cl)C(C)C)[nH]c2=O ZINC000411468178 823578299 /nfs/dbraw/zinc/57/82/99/823578299.db2.gz GOPWVURAJMNLKC-IBGZPJMESA-N 1 2 399.878 4.262 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)CSc3cc(F)ccc3F)n2)CC1 ZINC000061206580 823584605 /nfs/dbraw/zinc/58/46/05/823584605.db2.gz MDZMOEBYMNSHTC-UHFFFAOYSA-N 1 2 397.516 4.384 20 0 GIADLO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1nc(C(C)(C)C)no1 ZINC000411524857 823584647 /nfs/dbraw/zinc/58/46/47/823584647.db2.gz APSWMCGREABMLA-NSHDSACASA-N 1 2 384.402 4.065 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000190553070 823585688 /nfs/dbraw/zinc/58/56/88/823585688.db2.gz LHGXOLAVWVPCML-IIBYNOLFSA-N 1 2 386.515 4.330 20 0 GIADLO CC(C)OC(=O)[C@@H](C)C[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000124311726 823586221 /nfs/dbraw/zinc/58/62/21/823586221.db2.gz HCGBIQJNMUZQGV-QFBILLFUSA-N 1 2 379.460 4.003 20 0 GIADLO CC(C)([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1nc(C(F)(F)F)cs1 ZINC000411542920 823586911 /nfs/dbraw/zinc/58/69/11/823586911.db2.gz QOJVWLVOKRCQOS-STQMWFEESA-N 1 2 389.487 4.168 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)c1C ZINC000461184137 823594719 /nfs/dbraw/zinc/59/47/19/823594719.db2.gz BBAWGWPCTDOTTK-UHFFFAOYSA-N 1 2 395.406 4.309 20 0 GIADLO C[C@H]1CCN(C(=O)c2cccc(OCc3cccs3)c2)C[C@H]1n1cc[nH+]c1 ZINC000124425398 823595651 /nfs/dbraw/zinc/59/56/51/823595651.db2.gz AADWOOLNAKDTOX-OXJNMPFZSA-N 1 2 381.501 4.247 20 0 GIADLO CCc1nc(C(C)(C)[NH2+]CCC(=O)Nc2ccccc2Oc2ccccc2)no1 ZINC000411691116 823597331 /nfs/dbraw/zinc/59/73/31/823597331.db2.gz GYJDJUURIMSARZ-UHFFFAOYSA-N 1 2 394.475 4.278 20 0 GIADLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cccc(Br)c2Cl)CC1 ZINC000411724070 823600197 /nfs/dbraw/zinc/60/01/97/823600197.db2.gz XXCZHMWNFCJSKZ-ZDUSSCGKSA-N 1 2 386.639 4.382 20 0 GIADLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cccc(Br)c2Cl)CC1 ZINC000411724070 823600201 /nfs/dbraw/zinc/60/02/01/823600201.db2.gz XXCZHMWNFCJSKZ-ZDUSSCGKSA-N 1 2 386.639 4.382 20 0 GIADLO COC(=O)c1ccc(C[NH2+]C(C)(C)c2nc(-c3ccccc3F)c(C)s2)nc1 ZINC000411771042 823603859 /nfs/dbraw/zinc/60/38/59/823603859.db2.gz FCNRHQBFQCJTFV-UHFFFAOYSA-N 1 2 399.491 4.464 20 0 GIADLO COCC[C@@H]([NH2+]Cc1nc2ccsc2c(=O)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000411789310 823604942 /nfs/dbraw/zinc/60/49/42/823604942.db2.gz NBULIGJXXFAZKX-CYBMUJFWSA-N 1 2 397.422 4.283 20 0 GIADLO Brc1ccccc1-c1noc([C@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000190781283 823608117 /nfs/dbraw/zinc/60/81/17/823608117.db2.gz RYUJQTWKPVAJDC-MRXNPFEDSA-N 1 2 385.265 4.231 20 0 GIADLO Brc1ccccc1-c1noc([C@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000190781283 823608118 /nfs/dbraw/zinc/60/81/18/823608118.db2.gz RYUJQTWKPVAJDC-MRXNPFEDSA-N 1 2 385.265 4.231 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411869603 823611484 /nfs/dbraw/zinc/61/14/84/823611484.db2.gz NGEUNFMUMFSIOL-CYBMUJFWSA-N 1 2 383.355 4.138 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCSC2(CCC2)CC1 ZINC000411869603 823611485 /nfs/dbraw/zinc/61/14/85/823611485.db2.gz NGEUNFMUMFSIOL-CYBMUJFWSA-N 1 2 383.355 4.138 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)Cc3cc(C)cc(C)c3)cn2c1 ZINC000461287454 823612076 /nfs/dbraw/zinc/61/20/76/823612076.db2.gz XHYFKHTYCLXPLV-GOSISDBHSA-N 1 2 381.545 4.240 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccccc2COc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000124657522 823614821 /nfs/dbraw/zinc/61/48/21/823614821.db2.gz UQMGUFAGDRWELL-XMSQKQJNSA-N 1 2 375.472 4.185 20 0 GIADLO Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2OCCn2cc[nH+]c2)n1 ZINC000124663652 823615340 /nfs/dbraw/zinc/61/53/40/823615340.db2.gz OAJICRKHRKSKCB-FQEVSTJZSA-N 1 2 391.475 4.035 20 0 GIADLO COc1ccc(OCc2nc(C[N@@H+]3C[C@@H](O)C[C@H]3c3ccccc3)cs2)cc1 ZINC000411952246 823616165 /nfs/dbraw/zinc/61/61/65/823616165.db2.gz SISSQVWZAZFXQO-RXVVDRJESA-N 1 2 396.512 4.039 20 0 GIADLO COc1ccc(OCc2nc(C[N@H+]3C[C@@H](O)C[C@H]3c3ccccc3)cs2)cc1 ZINC000411952246 823616167 /nfs/dbraw/zinc/61/61/67/823616167.db2.gz SISSQVWZAZFXQO-RXVVDRJESA-N 1 2 396.512 4.039 20 0 GIADLO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000411955235 823616332 /nfs/dbraw/zinc/61/63/32/823616332.db2.gz VKBYGIRQEWGOKV-ICSRJNTNSA-N 1 2 384.476 4.169 20 0 GIADLO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000411955235 823616333 /nfs/dbraw/zinc/61/63/33/823616333.db2.gz VKBYGIRQEWGOKV-ICSRJNTNSA-N 1 2 384.476 4.169 20 0 GIADLO O=C(C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000411995585 823619460 /nfs/dbraw/zinc/61/94/60/823619460.db2.gz DNYDKPMVNSGQOM-HXUWFJFHSA-N 1 2 388.870 4.271 20 0 GIADLO O=C(C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000411995585 823619462 /nfs/dbraw/zinc/61/94/62/823619462.db2.gz DNYDKPMVNSGQOM-HXUWFJFHSA-N 1 2 388.870 4.271 20 0 GIADLO C[C@]1(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000411999458 823619864 /nfs/dbraw/zinc/61/98/64/823619864.db2.gz BZSXUANZIQYKOY-DVECYGJZSA-N 1 2 399.498 4.455 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412000018 823620100 /nfs/dbraw/zinc/62/01/00/823620100.db2.gz NNTYGPBLIOYDJA-OAQYLSRUSA-N 1 2 384.907 4.441 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412000018 823620104 /nfs/dbraw/zinc/62/01/04/823620104.db2.gz NNTYGPBLIOYDJA-OAQYLSRUSA-N 1 2 384.907 4.441 20 0 GIADLO Cc1nc(C(C)(C)[NH2+]Cc2cc3c(cc2Br)OCO3)sc1C ZINC000124743447 823622697 /nfs/dbraw/zinc/62/26/97/823622697.db2.gz JNXUEJDLOJDLEQ-UHFFFAOYSA-N 1 2 383.311 4.276 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000412128550 823628562 /nfs/dbraw/zinc/62/85/62/823628562.db2.gz NULNOENTRCZMQT-QFIPXVFZSA-N 1 2 394.515 4.055 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000412146999 823630442 /nfs/dbraw/zinc/63/04/42/823630442.db2.gz GDKLFQMMCAQOFZ-OFNKIYASSA-N 1 2 381.495 4.031 20 0 GIADLO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000124861437 823631819 /nfs/dbraw/zinc/63/18/19/823631819.db2.gz PSOCPQXQCXVBNF-DYVFJYSZSA-N 1 2 384.867 4.223 20 0 GIADLO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000124861235 823631869 /nfs/dbraw/zinc/63/18/69/823631869.db2.gz PSOCPQXQCXVBNF-GUYCJALGSA-N 1 2 384.867 4.223 20 0 GIADLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000124870258 823632646 /nfs/dbraw/zinc/63/26/46/823632646.db2.gz WLTCTVZFPMKGHL-HUUCEWRRSA-N 1 2 378.480 4.008 20 0 GIADLO COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)ccc1Br)c1ccncc1 ZINC000190974418 823632971 /nfs/dbraw/zinc/63/29/71/823632971.db2.gz XACHTCWJVAWNJO-QGZVFWFLSA-N 1 2 397.700 4.066 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(COCC4CC4)c3)cn2c1 ZINC000124880802 823633650 /nfs/dbraw/zinc/63/36/50/823633650.db2.gz BDSPAEDQORKGAS-UHFFFAOYSA-N 1 2 395.528 4.441 20 0 GIADLO COc1cccc(Nc2ccccc2C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000124906964 823635645 /nfs/dbraw/zinc/63/56/45/823635645.db2.gz YWDBHUKOMDVKOX-VGOFRKELSA-N 1 2 390.487 4.359 20 0 GIADLO O=C(c1cc(C2CCCCC2)[nH]n1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461450844 823640410 /nfs/dbraw/zinc/64/04/10/823640410.db2.gz RNBBSTCLTLDRCD-RTWAWAEBSA-N 1 2 392.547 4.052 20 0 GIADLO O=C(c1cc(C2CCCCC2)[nH]n1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461450844 823640412 /nfs/dbraw/zinc/64/04/12/823640412.db2.gz RNBBSTCLTLDRCD-RTWAWAEBSA-N 1 2 392.547 4.052 20 0 GIADLO O=C(c1cc(Cl)ncc1Cl)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000124978853 823642362 /nfs/dbraw/zinc/64/23/62/823642362.db2.gz ZPPDBOHVQHPIAM-UHFFFAOYSA-N 1 2 398.721 4.390 20 0 GIADLO O=C(c1cc(Cl)ncc1Cl)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000124978853 823642365 /nfs/dbraw/zinc/64/23/65/823642365.db2.gz ZPPDBOHVQHPIAM-UHFFFAOYSA-N 1 2 398.721 4.390 20 0 GIADLO CCCc1c(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cnn1-c1ccc(F)cc1 ZINC000191083135 823646478 /nfs/dbraw/zinc/64/64/78/823646478.db2.gz BPRMDYPAWFXQDB-UHFFFAOYSA-N 1 2 389.434 4.402 20 0 GIADLO O=C(c1cc(Cl)nc(Cl)c1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000125056607 823648763 /nfs/dbraw/zinc/64/87/63/823648763.db2.gz HBORCEKCFIBVKW-UHFFFAOYSA-N 1 2 398.721 4.390 20 0 GIADLO O=C(c1cc(Cl)nc(Cl)c1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000125056607 823648764 /nfs/dbraw/zinc/64/87/64/823648764.db2.gz HBORCEKCFIBVKW-UHFFFAOYSA-N 1 2 398.721 4.390 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000125163765 823656179 /nfs/dbraw/zinc/65/61/79/823656179.db2.gz MAABFGJWGMWKCV-UHFFFAOYSA-N 1 2 383.801 4.284 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)cs1)c1ccc(C)cc1C ZINC000191179843 823656849 /nfs/dbraw/zinc/65/68/49/823656849.db2.gz XXTITPUBOSAHBB-HZPDHXFCSA-N 1 2 387.549 4.178 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@@H+]3CCSC[C@@H]3c3cnn(C)c3)c2cc1C(C)C ZINC000191200040 823658548 /nfs/dbraw/zinc/65/85/48/823658548.db2.gz ZFMQKCNHOHKGHI-HXUWFJFHSA-N 1 2 397.544 4.248 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@H+]3CCSC[C@@H]3c3cnn(C)c3)c2cc1C(C)C ZINC000191200040 823658552 /nfs/dbraw/zinc/65/85/52/823658552.db2.gz ZFMQKCNHOHKGHI-HXUWFJFHSA-N 1 2 397.544 4.248 20 0 GIADLO CCCOc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000125250419 823662468 /nfs/dbraw/zinc/66/24/68/823662468.db2.gz RYSHPURCGZHAMI-UHFFFAOYSA-N 1 2 378.476 4.084 20 0 GIADLO O=C(C[N@@H+](CCC(F)(F)F)Cc1ccccc1)N1CCc2ccccc2C1 ZINC000191243888 823662756 /nfs/dbraw/zinc/66/27/56/823662756.db2.gz IQZUFJNWNDJSSR-UHFFFAOYSA-N 1 2 376.422 4.026 20 0 GIADLO O=C(C[N@H+](CCC(F)(F)F)Cc1ccccc1)N1CCc2ccccc2C1 ZINC000191243888 823662758 /nfs/dbraw/zinc/66/27/58/823662758.db2.gz IQZUFJNWNDJSSR-UHFFFAOYSA-N 1 2 376.422 4.026 20 0 GIADLO CN(C(=O)C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1nccs1 ZINC000191252781 823663669 /nfs/dbraw/zinc/66/36/69/823663669.db2.gz FXGRTHJKHPVKQO-UHFFFAOYSA-N 1 2 389.830 4.057 20 0 GIADLO COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000191268637 823665561 /nfs/dbraw/zinc/66/55/61/823665561.db2.gz DYZLDQBVQUMQOU-LBPRGKRZSA-N 1 2 397.306 4.222 20 0 GIADLO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000125349876 823669834 /nfs/dbraw/zinc/66/98/34/823669834.db2.gz POZKBSIAPHPFLX-UTKZUKDTSA-N 1 2 392.478 4.158 20 0 GIADLO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000125354772 823670140 /nfs/dbraw/zinc/67/01/40/823670140.db2.gz UJIQFSLABFHPOF-UKTHLTGXSA-N 1 2 392.124 4.419 20 0 GIADLO CCOc1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1OC(F)F ZINC000191311044 823670202 /nfs/dbraw/zinc/67/02/02/823670202.db2.gz VOFASTYYELYWRY-UHFFFAOYSA-N 1 2 375.774 4.475 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000125417811 823674620 /nfs/dbraw/zinc/67/46/20/823674620.db2.gz MJBGZIVNRQQFJB-SBUREZEXSA-N 1 2 397.482 4.217 20 0 GIADLO O=c1[nH]c(C[NH+]2CCC(Cc3cccc(F)c3)CC2)nc2c3ccccc3oc21 ZINC000125490839 823680460 /nfs/dbraw/zinc/68/04/60/823680460.db2.gz HOKZVWHFDGVLAK-UHFFFAOYSA-N 1 2 391.446 4.263 20 0 GIADLO C[C@H]1CCN(C(=O)c2cccnc2Sc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000125517734 823682239 /nfs/dbraw/zinc/68/22/39/823682239.db2.gz APOVRKREMUGEKP-LPHOPBHVSA-N 1 2 378.501 4.153 20 0 GIADLO Cn1c(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)nnc1C1CCC1 ZINC000191467125 823688265 /nfs/dbraw/zinc/68/82/65/823688265.db2.gz JACQYYRIEZITID-UHFFFAOYSA-N 1 2 389.341 4.257 20 0 GIADLO Cn1c(C[N@H+](Cc2cccc(Br)c2)CC2CC2)nnc1C1CCC1 ZINC000191467125 823688268 /nfs/dbraw/zinc/68/82/68/823688268.db2.gz JACQYYRIEZITID-UHFFFAOYSA-N 1 2 389.341 4.257 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125600888 823688911 /nfs/dbraw/zinc/68/89/11/823688911.db2.gz LYHNLSRWDZUOBP-UHFFFAOYSA-N 1 2 394.943 4.409 20 0 GIADLO COc1cc(C(=O)NCCNc2cccc[nH+]2)cc(Cl)c1OCCC(C)C ZINC000063707435 823690336 /nfs/dbraw/zinc/69/03/36/823690336.db2.gz DPWOVJBVOWUHTE-UHFFFAOYSA-N 1 2 391.899 4.010 20 0 GIADLO Cc1c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cnn1-c1cc(C)ccc1C ZINC000125618085 823690410 /nfs/dbraw/zinc/69/04/10/823690410.db2.gz SBKUXGVMCYMROC-UHFFFAOYSA-N 1 2 385.471 4.295 20 0 GIADLO Cc1nnc([C@H](C)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1 ZINC000125632599 823691677 /nfs/dbraw/zinc/69/16/77/823691677.db2.gz DZLCQCAODHOKBM-KKSFZXQISA-N 1 2 396.922 4.500 20 0 GIADLO CC(C)(C)n1cc(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)nn1 ZINC000191520783 823695029 /nfs/dbraw/zinc/69/50/29/823695029.db2.gz ZVBQMRQRVUVBJB-UHFFFAOYSA-N 1 2 391.235 4.104 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000125680216 823696039 /nfs/dbraw/zinc/69/60/39/823696039.db2.gz HISKZJNMEJRNQU-ZDUSSCGKSA-N 1 2 399.347 4.381 20 0 GIADLO CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2C)nnc1-c1ccncc1 ZINC000191530600 823696152 /nfs/dbraw/zinc/69/61/52/823696152.db2.gz FNLJDFSVTANMAE-UHFFFAOYSA-N 1 2 376.489 4.146 20 0 GIADLO Cc1cccc(-c2n[nH]cc2C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000191533313 823696698 /nfs/dbraw/zinc/69/66/98/823696698.db2.gz HNMZITOUVMMETI-CQSZACIVSA-N 1 2 377.423 4.425 20 0 GIADLO CC(=O)CCCCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000412983184 823697277 /nfs/dbraw/zinc/69/72/77/823697277.db2.gz MRKRDBVMSWGTJS-HNNXBMFYSA-N 1 2 378.517 4.271 20 0 GIADLO CC(=O)CCCCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000412983185 823697285 /nfs/dbraw/zinc/69/72/85/823697285.db2.gz MRKRDBVMSWGTJS-OAHLLOKOSA-N 1 2 378.517 4.271 20 0 GIADLO C[C@H](c1nnc(SC[C@@H]2CCCC[C@H]2O)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000412988732 823698242 /nfs/dbraw/zinc/69/82/42/823698242.db2.gz YJNBPUCSZLLDBC-JKIFEVAISA-N 1 2 394.972 4.187 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](Cc3ccccc3)c3ccccc3)[nH+]cn2)C1 ZINC000413029160 823700489 /nfs/dbraw/zinc/70/04/89/823700489.db2.gz RCUSZBLITCCPOF-BWAGFHJFSA-N 1 2 388.515 4.080 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](Cc3ccccc3)c3ccccc3)nc[nH+]2)C1 ZINC000413029160 823700490 /nfs/dbraw/zinc/70/04/90/823700490.db2.gz RCUSZBLITCCPOF-BWAGFHJFSA-N 1 2 388.515 4.080 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3nc(C(C)(C)C)cs3)CC2)n1 ZINC000191566995 823701111 /nfs/dbraw/zinc/70/11/11/823701111.db2.gz VXBBRLYZFYQVOR-UHFFFAOYSA-N 1 2 393.578 4.453 20 0 GIADLO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000191571837 823702082 /nfs/dbraw/zinc/70/20/82/823702082.db2.gz XIJONOBYYDHOSE-RYUDHWBXSA-N 1 2 398.429 4.454 20 0 GIADLO C[N@H+](Cc1ncc(-c2cccs2)o1)[C@@H](CO)c1cccc(Br)c1 ZINC000125738061 823702413 /nfs/dbraw/zinc/70/24/13/823702413.db2.gz CSVOOKHAJDROAV-AWEZNQCLSA-N 1 2 393.306 4.331 20 0 GIADLO C[N@@H+](Cc1ncc(-c2cccs2)o1)[C@@H](CO)c1cccc(Br)c1 ZINC000125738061 823702418 /nfs/dbraw/zinc/70/24/18/823702418.db2.gz CSVOOKHAJDROAV-AWEZNQCLSA-N 1 2 393.306 4.331 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(Oc4ccccc4)cc3)[nH+]cn2)C1 ZINC000413098458 823706643 /nfs/dbraw/zinc/70/66/43/823706643.db2.gz AOWNNYDRNGBGEC-IEBWSBKVSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(Oc4ccccc4)cc3)nc[nH+]2)C1 ZINC000413098458 823706646 /nfs/dbraw/zinc/70/66/46/823706646.db2.gz AOWNNYDRNGBGEC-IEBWSBKVSA-N 1 2 390.487 4.088 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000413122355 823710886 /nfs/dbraw/zinc/71/08/86/823710886.db2.gz JQKLIAZEQVCFRX-OAQYLSRUSA-N 1 2 390.531 4.030 20 0 GIADLO CCc1c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1cccc(Cl)c1 ZINC000125789313 823711182 /nfs/dbraw/zinc/71/11/82/823711182.db2.gz MTROMYZUAWDCMN-YWZLYKJASA-N 1 2 397.910 4.008 20 0 GIADLO COCCCOC1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413159965 823718541 /nfs/dbraw/zinc/71/85/41/823718541.db2.gz LNXYGCMHXZCQKI-UHFFFAOYSA-N 1 2 379.298 4.019 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125824382 823720918 /nfs/dbraw/zinc/72/09/18/823720918.db2.gz NREKTDHUKNBDDC-UTKZUKDTSA-N 1 2 394.519 4.125 20 0 GIADLO CCO[C@@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000413176034 823721608 /nfs/dbraw/zinc/72/16/08/823721608.db2.gz KIPZMVCPXPABCP-KGVIQGDOSA-N 1 2 382.504 4.012 20 0 GIADLO CCO[C@@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000413176034 823721614 /nfs/dbraw/zinc/72/16/14/823721614.db2.gz KIPZMVCPXPABCP-KGVIQGDOSA-N 1 2 382.504 4.012 20 0 GIADLO Cc1cn2c([nH+]1)[C@H](CNc1nc(C(F)F)nc3ccc(Cl)cc31)CCC2 ZINC000413203879 823727247 /nfs/dbraw/zinc/72/72/47/823727247.db2.gz MYTIRQITVOCADB-NSHDSACASA-N 1 2 377.826 4.137 20 0 GIADLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000191665408 823727481 /nfs/dbraw/zinc/72/74/81/823727481.db2.gz OEMOUEQVZIYLCN-UHFFFAOYSA-N 1 2 386.561 4.032 20 0 GIADLO CCCN(C)c1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000064024455 823735695 /nfs/dbraw/zinc/73/56/95/823735695.db2.gz IKSWHSVKDAIMIV-UHFFFAOYSA-N 1 2 386.565 4.474 20 0 GIADLO C[C@@H](Nc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1)c1cc(Cl)ccc1Cl ZINC000413251642 823739193 /nfs/dbraw/zinc/73/91/93/823739193.db2.gz QRUBXFXCMYQERW-AGIUHOORSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](Nc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1)c1cc(Cl)ccc1Cl ZINC000413251642 823739198 /nfs/dbraw/zinc/73/91/98/823739198.db2.gz QRUBXFXCMYQERW-AGIUHOORSA-N 1 2 381.307 4.164 20 0 GIADLO O[C@@]1(C(F)(F)F)CCCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413275679 823743682 /nfs/dbraw/zinc/74/36/82/823743682.db2.gz BIGFRPFMIUNMGD-HNNXBMFYSA-N 1 2 389.215 4.281 20 0 GIADLO CCOCc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000125929716 823746972 /nfs/dbraw/zinc/74/69/72/823746972.db2.gz UNKDYORSLLDPSV-FGZHOGPDSA-N 1 2 390.487 4.470 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cc(F)ccc1OCC1CC1 ZINC000191745450 823755202 /nfs/dbraw/zinc/75/52/02/823755202.db2.gz UPXDVORTUZIMSA-UHFFFAOYSA-N 1 2 394.450 4.181 20 0 GIADLO CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000461924008 823757933 /nfs/dbraw/zinc/75/79/33/823757933.db2.gz SDINLVWZVQBBFH-UHFFFAOYSA-N 1 2 383.814 4.127 20 0 GIADLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000574550473 823762283 /nfs/dbraw/zinc/76/22/83/823762283.db2.gz WFEOBFGBIROWQK-GCJKJVERSA-N 1 2 380.536 4.409 20 0 GIADLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126018095 823767240 /nfs/dbraw/zinc/76/72/40/823767240.db2.gz MSDIBAMIVAJKOL-CVDCTZTESA-N 1 2 390.531 4.043 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1C ZINC000126017723 823767289 /nfs/dbraw/zinc/76/72/89/823767289.db2.gz FCSCYZGLPPOOSK-LSDHHAIUSA-N 1 2 394.393 4.026 20 0 GIADLO C[C@H](NC(=O)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1)c1ccccc1 ZINC000126025186 823769004 /nfs/dbraw/zinc/76/90/04/823769004.db2.gz QKHIRSOVPDFPJX-MHECFPHRSA-N 1 2 398.510 4.130 20 0 GIADLO Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000574606016 823778838 /nfs/dbraw/zinc/77/88/38/823778838.db2.gz AMCBULVWJVNSQU-UHFFFAOYSA-N 1 2 394.438 4.143 20 0 GIADLO OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2Br)CC[C@H]1C(F)(F)F ZINC000574606940 823779052 /nfs/dbraw/zinc/77/90/52/823779052.db2.gz QBNFDRIPXYXMGQ-ZYHUDNBSSA-N 1 2 386.639 4.095 20 0 GIADLO OC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2Br)CC[C@H]1C(F)(F)F ZINC000574606940 823779057 /nfs/dbraw/zinc/77/90/57/823779057.db2.gz QBNFDRIPXYXMGQ-ZYHUDNBSSA-N 1 2 386.639 4.095 20 0 GIADLO Cc1cccc(CS(=O)(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000574615113 823782482 /nfs/dbraw/zinc/78/24/82/823782482.db2.gz ZZMQBAIXDQMTFD-UHFFFAOYSA-N 1 2 381.501 4.137 20 0 GIADLO Cc1oncc1CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000126096510 823785891 /nfs/dbraw/zinc/78/58/91/823785891.db2.gz AWPCMYCFQVTUJQ-UHFFFAOYSA-N 1 2 389.912 4.105 20 0 GIADLO CCCOc1c(Cl)cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000126096993 823786512 /nfs/dbraw/zinc/78/65/12/823786512.db2.gz DTMLILZBLHXDEH-YOEHRIQHSA-N 1 2 391.899 4.057 20 0 GIADLO COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000126119098 823792480 /nfs/dbraw/zinc/79/24/80/823792480.db2.gz PHAWNIYIROSXDZ-DNVCBOLYSA-N 1 2 398.894 4.059 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000126121281 823793135 /nfs/dbraw/zinc/79/31/35/823793135.db2.gz SSJASGAPOUPURY-UHFFFAOYSA-N 1 2 384.907 4.151 20 0 GIADLO C[C@@H]([NH2+]Cc1cncnc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000126134476 823795970 /nfs/dbraw/zinc/79/59/70/823795970.db2.gz KQROQZGULVNDDN-LLVKDONJSA-N 1 2 375.295 4.213 20 0 GIADLO O=C1CCCN1[C@@H]1CCCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000413567809 823798126 /nfs/dbraw/zinc/79/81/26/823798126.db2.gz LATUBXPRDXLXAX-MRXNPFEDSA-N 1 2 377.410 4.235 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCc1ccc(Cl)s1 ZINC000126141902 823798177 /nfs/dbraw/zinc/79/81/77/823798177.db2.gz QRRJTYLBOKRNJV-UHFFFAOYSA-N 1 2 378.925 4.113 20 0 GIADLO C[C@@H](c1nnc(SCCCC2CCOCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000574680328 823799252 /nfs/dbraw/zinc/79/92/52/823799252.db2.gz GRDWXNJTEVDSDH-HNNXBMFYSA-N 1 2 392.544 4.328 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)c2cccc(Br)c2)c1C ZINC000462027459 823801382 /nfs/dbraw/zinc/80/13/82/823801382.db2.gz NLUQDXQYPZULDR-CYBMUJFWSA-N 1 2 391.309 4.232 20 0 GIADLO COC[C@@H]([NH2+]Cc1c(OC)cc(OC)cc1OC)c1cccc(C(F)(F)F)c1 ZINC000164423315 823802359 /nfs/dbraw/zinc/80/23/59/823802359.db2.gz ZGIDNIVVRQFDEI-QGZVFWFLSA-N 1 2 399.409 4.209 20 0 GIADLO Cc1cccn2cc(CCNC(=O)CCCCCO[C@H]3CCC[C@@H](C)C3)[nH+]c12 ZINC000164480678 823805018 /nfs/dbraw/zinc/80/50/18/823805018.db2.gz CFOPBWCKEHUIAV-NQIIRXRSSA-N 1 2 385.552 4.457 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000191897632 823806705 /nfs/dbraw/zinc/80/67/05/823806705.db2.gz WYSBYBXKSSKAPS-UHFFFAOYSA-N 1 2 392.507 4.155 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(SC(F)F)cc1 ZINC000126194365 823809877 /nfs/dbraw/zinc/80/98/77/823809877.db2.gz NKCVCEUVNDDVOZ-UHFFFAOYSA-N 1 2 392.471 4.394 20 0 GIADLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000164603216 823811691 /nfs/dbraw/zinc/81/16/91/823811691.db2.gz KDTNKMUMBXYRPW-UWJYYQICSA-N 1 2 382.552 4.351 20 0 GIADLO Cc1ccc(C)c(-n2cnc3cc(C(=O)N(C)CCCn4cc[nH+]c4)ccc32)c1 ZINC000191921494 823812337 /nfs/dbraw/zinc/81/23/37/823812337.db2.gz NZVXEFUDACCCGX-UHFFFAOYSA-N 1 2 387.487 4.001 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)ccc1Br ZINC000191923453 823812923 /nfs/dbraw/zinc/81/29/23/823812923.db2.gz CEFQOHMXEREBQU-UHFFFAOYSA-N 1 2 393.329 4.461 20 0 GIADLO CCc1cccc2c(CC(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)c[nH]c21 ZINC000126217329 823814143 /nfs/dbraw/zinc/81/41/43/823814143.db2.gz XNLKKXOCJWYZCM-UHFFFAOYSA-N 1 2 391.515 4.052 20 0 GIADLO Cc1ccncc1CN(C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000574735246 823814125 /nfs/dbraw/zinc/81/41/25/823814125.db2.gz VBKGXMGHTGDLOC-UHFFFAOYSA-N 1 2 375.476 4.254 20 0 GIADLO Cc1ccc(-c2noc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)n2)cc1 ZINC000574737588 823814391 /nfs/dbraw/zinc/81/43/91/823814391.db2.gz AYZXFNGAMSNFOP-NRFANRHFSA-N 1 2 375.472 4.399 20 0 GIADLO Cc1ccc(-c2noc(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)n2)cc1 ZINC000574737588 823814394 /nfs/dbraw/zinc/81/43/94/823814394.db2.gz AYZXFNGAMSNFOP-NRFANRHFSA-N 1 2 375.472 4.399 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cnccc2C(C)(C)C)CC1 ZINC000413670700 823814819 /nfs/dbraw/zinc/81/48/19/823814819.db2.gz QSKNLIBLCRAJSW-MRXNPFEDSA-N 1 2 386.565 4.029 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000191940993 823817976 /nfs/dbraw/zinc/81/79/76/823817976.db2.gz KRUNHQPDQVHJKU-UHFFFAOYSA-N 1 2 384.311 4.279 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000126248854 823820635 /nfs/dbraw/zinc/82/06/35/823820635.db2.gz KGZJMCUBTINDSM-UHFFFAOYSA-N 1 2 379.287 4.386 20 0 GIADLO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000574789895 823827250 /nfs/dbraw/zinc/82/72/50/823827250.db2.gz ZMVUTOLYJPBSND-GOEBONIOSA-N 1 2 391.920 4.112 20 0 GIADLO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000574789895 823827256 /nfs/dbraw/zinc/82/72/56/823827256.db2.gz ZMVUTOLYJPBSND-GOEBONIOSA-N 1 2 391.920 4.112 20 0 GIADLO COC[C@@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)c1ccco1 ZINC000126295609 823832657 /nfs/dbraw/zinc/83/26/57/823832657.db2.gz YBOZABAQQOCURT-QGZVFWFLSA-N 1 2 390.281 4.014 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000126325814 823840656 /nfs/dbraw/zinc/84/06/56/823840656.db2.gz NARHYVIKYJZMOZ-UHFFFAOYSA-N 1 2 379.287 4.386 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)o1 ZINC000192043891 823842370 /nfs/dbraw/zinc/84/23/70/823842370.db2.gz YWRWRCLFXVJQSK-GHTZIAJQSA-N 1 2 383.879 4.242 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2ccn(-c3cccc(F)c3)n2)cc1OC(F)F ZINC000064556679 823843257 /nfs/dbraw/zinc/84/32/57/823843257.db2.gz CWVGCWHPTAYTQA-UHFFFAOYSA-N 1 2 391.393 4.253 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2ccn(-c3cccc(F)c3)n2)cc1OC(F)F ZINC000064556679 823843263 /nfs/dbraw/zinc/84/32/63/823843263.db2.gz CWVGCWHPTAYTQA-UHFFFAOYSA-N 1 2 391.393 4.253 20 0 GIADLO CSc1ccc(Cl)cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000064563049 823846364 /nfs/dbraw/zinc/84/63/64/823846364.db2.gz UYWKBMMCSFZCBO-UHFFFAOYSA-N 1 2 376.913 4.379 20 0 GIADLO CCc1cccc(Cc2cnc(NC(=O)NCCCCn3cc[nH+]c3)s2)c1 ZINC000574870253 823848372 /nfs/dbraw/zinc/84/83/72/823848372.db2.gz QFONZQCCYSIWPF-UHFFFAOYSA-N 1 2 383.521 4.095 20 0 GIADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000574885308 823851372 /nfs/dbraw/zinc/85/13/72/823851372.db2.gz NSNMYYYVKJMIQJ-OEEHMVQOSA-N 1 2 375.516 4.215 20 0 GIADLO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000064632050 823855283 /nfs/dbraw/zinc/85/52/83/823855283.db2.gz JOZJBPFKHOVPGB-GOSISDBHSA-N 1 2 382.504 4.182 20 0 GIADLO CCCCNC(=O)C[NH2+][C@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000462179417 823856634 /nfs/dbraw/zinc/85/66/34/823856634.db2.gz YAVDVRRBLLWBTP-HXUWFJFHSA-N 1 2 378.488 4.282 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C[C@@H](C)O)C(C)C)cs1)c1ccc(C)cc1C ZINC000165732710 823861309 /nfs/dbraw/zinc/86/13/09/823861309.db2.gz OXUHALLPQOGGBB-MRXNPFEDSA-N 1 2 375.538 4.036 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C[C@@H](C)O)C(C)C)cs1)c1ccc(C)cc1C ZINC000165732710 823861311 /nfs/dbraw/zinc/86/13/11/823861311.db2.gz OXUHALLPQOGGBB-MRXNPFEDSA-N 1 2 375.538 4.036 20 0 GIADLO Cc1ccccc1-c1nc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)no1 ZINC000192105593 823861758 /nfs/dbraw/zinc/86/17/58/823861758.db2.gz ZXVFTGUTIMXVRT-HKUYNNGSSA-N 1 2 387.842 4.457 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000126424553 823863043 /nfs/dbraw/zinc/86/30/43/823863043.db2.gz PIGIQPAVZCTYOR-RBUKOAKNSA-N 1 2 383.561 4.320 20 0 GIADLO CC[N@H+](Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)CC(C)(C)O ZINC000165870809 823865103 /nfs/dbraw/zinc/86/51/03/823865103.db2.gz IKGWNSDRFBCXQI-UHFFFAOYSA-N 1 2 375.538 4.037 20 0 GIADLO CC[N@@H+](Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)CC(C)(C)O ZINC000165870809 823865109 /nfs/dbraw/zinc/86/51/09/823865109.db2.gz IKGWNSDRFBCXQI-UHFFFAOYSA-N 1 2 375.538 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)CC(C)(C)O)cs1)c1c(C)cc(C)cc1Cl ZINC000165890671 823865352 /nfs/dbraw/zinc/86/53/52/823865352.db2.gz UJVHTOLEOHYHRZ-UHFFFAOYSA-N 1 2 395.956 4.301 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)CC(C)(C)O)cs1)c1c(C)cc(C)cc1Cl ZINC000165890671 823865355 /nfs/dbraw/zinc/86/53/55/823865355.db2.gz UJVHTOLEOHYHRZ-UHFFFAOYSA-N 1 2 395.956 4.301 20 0 GIADLO Cc1ccc(Br)c(C)c1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000574953650 823870036 /nfs/dbraw/zinc/87/00/36/823870036.db2.gz KLIVUQTXNKFPHU-UHFFFAOYSA-N 1 2 398.304 4.241 20 0 GIADLO COc1cccc(F)c1[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462221112 823878978 /nfs/dbraw/zinc/87/89/78/823878978.db2.gz IDJPJWCKRIRUAS-CABCVRRESA-N 1 2 391.512 4.045 20 0 GIADLO CN1C(=O)C[C@H]([NH2+]Cc2ncc(-c3ccccc3)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000192150393 823880970 /nfs/dbraw/zinc/88/09/70/823880970.db2.gz OLTMSBZWCWIYME-UWJYYQICSA-N 1 2 381.863 4.057 20 0 GIADLO COc1ccc2c(c1)CN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H](C1CCCCC1)C2 ZINC000574992563 823881037 /nfs/dbraw/zinc/88/10/37/823881037.db2.gz PEYZPWOQEFQQOO-HTAPYJJXSA-N 1 2 381.520 4.377 20 0 GIADLO COc1cc(CNc2cc[nH+]cc2F)cc(Br)c1OC(F)F ZINC000192150844 823881465 /nfs/dbraw/zinc/88/14/65/823881465.db2.gz WBONQZORXOKHMP-UHFFFAOYSA-N 1 2 377.160 4.205 20 0 GIADLO CC(C)C[C@@H](NC(=O)C[NH+]1CCC(c2noc(C3CC3)n2)CC1)c1ccccc1 ZINC000462236080 823888372 /nfs/dbraw/zinc/88/83/72/823888372.db2.gz WHCCEWUFNMXFBA-HXUWFJFHSA-N 1 2 396.535 4.030 20 0 GIADLO Fc1ccc(Br)c(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000462238199 823889875 /nfs/dbraw/zinc/88/98/75/823889875.db2.gz PGPJDVTVEWPLRK-UHFFFAOYSA-N 1 2 380.261 4.228 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cnn1-c1ccc(F)cc1 ZINC000167950026 823899022 /nfs/dbraw/zinc/89/90/22/823899022.db2.gz FSOWAYXKDBACHN-AUUYWEPGSA-N 1 2 382.487 4.220 20 0 GIADLO CC(C)OCc1c2ccccc2oc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000126564963 823900071 /nfs/dbraw/zinc/90/00/71/823900071.db2.gz JFSVUAHQFXKMHQ-LPHOPBHVSA-N 1 2 381.476 4.278 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2c(C)cc(Br)cc2C)s1 ZINC000414075617 823902743 /nfs/dbraw/zinc/90/27/43/823902743.db2.gz OBHGDPINAPSITN-NSHDSACASA-N 1 2 383.311 4.160 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462270092 823907919 /nfs/dbraw/zinc/90/79/19/823907919.db2.gz LDSWVJQRZDHZQJ-OLZOCXBDSA-N 1 2 397.466 4.205 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462270092 823907930 /nfs/dbraw/zinc/90/79/30/823907930.db2.gz LDSWVJQRZDHZQJ-OLZOCXBDSA-N 1 2 397.466 4.205 20 0 GIADLO CCc1ccc([C@H]2COCC[N@@H+]2CCCCOc2c(OC)cccc2OC)o1 ZINC000575090157 823909032 /nfs/dbraw/zinc/90/90/32/823909032.db2.gz NYDRCPTXMLUWTE-GOSISDBHSA-N 1 2 389.492 4.092 20 0 GIADLO CCc1ccc([C@H]2COCC[N@H+]2CCCCOc2c(OC)cccc2OC)o1 ZINC000575090157 823909041 /nfs/dbraw/zinc/90/90/41/823909041.db2.gz NYDRCPTXMLUWTE-GOSISDBHSA-N 1 2 389.492 4.092 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2cnc3ccccc3c2)no1 ZINC000575092763 823909926 /nfs/dbraw/zinc/90/99/26/823909926.db2.gz ZIMBWCANGAEYAT-UHFFFAOYSA-N 1 2 377.354 4.269 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1cccc2ccc(OC)cc21 ZINC000192245735 823914689 /nfs/dbraw/zinc/91/46/89/823914689.db2.gz CRLFRQIKUYHQFE-UHFFFAOYSA-N 1 2 379.504 4.089 20 0 GIADLO CCOc1ccccc1[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462294903 823914792 /nfs/dbraw/zinc/91/47/92/823914792.db2.gz JYUAIZAVSLKBOF-IRXDYDNUSA-N 1 2 387.549 4.296 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000192247409 823915869 /nfs/dbraw/zinc/91/58/69/823915869.db2.gz CEBFATUTQBOUGM-UHFFFAOYSA-N 1 2 378.520 4.358 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000192248412 823916061 /nfs/dbraw/zinc/91/60/61/823916061.db2.gz HPAHBUISVXPCIR-UHFFFAOYSA-N 1 2 378.476 4.185 20 0 GIADLO Cc1cc(C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)nc(N2CCCC2)n1 ZINC000414137670 823917647 /nfs/dbraw/zinc/91/76/47/823917647.db2.gz KAPOIAKIVGOLGI-MRXNPFEDSA-N 1 2 379.533 4.360 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Cl)cc(Br)c1 ZINC000192259465 823920647 /nfs/dbraw/zinc/92/06/47/823920647.db2.gz AYVYLGZUJPYJNT-UHFFFAOYSA-N 1 2 398.732 4.414 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000192260665 823920755 /nfs/dbraw/zinc/92/07/55/823920755.db2.gz VHXIYBCKKNSPEY-HXUWFJFHSA-N 1 2 396.539 4.141 20 0 GIADLO C[C@H]1C[C@]1(NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(Cl)cc1 ZINC000575149579 823924027 /nfs/dbraw/zinc/92/40/27/823924027.db2.gz KUOJRSIUZOFYRL-VBKZILBWSA-N 1 2 381.867 4.037 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000575151724 823924641 /nfs/dbraw/zinc/92/46/41/823924641.db2.gz QFJQAIRSLSPDCJ-FQEVSTJZSA-N 1 2 380.879 4.072 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(NC(C)=O)c1 ZINC000170643162 823924786 /nfs/dbraw/zinc/92/47/86/823924786.db2.gz RZKIZIJYCXBPJI-UHFFFAOYSA-N 1 2 394.302 4.412 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(NC(C)=O)c1 ZINC000170643162 823924790 /nfs/dbraw/zinc/92/47/90/823924790.db2.gz RZKIZIJYCXBPJI-UHFFFAOYSA-N 1 2 394.302 4.412 20 0 GIADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000170652728 823927019 /nfs/dbraw/zinc/92/70/19/823927019.db2.gz VOHBMBJIPHYEPN-INIZCTEOSA-N 1 2 388.537 4.036 20 0 GIADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000170652728 823927026 /nfs/dbraw/zinc/92/70/26/823927026.db2.gz VOHBMBJIPHYEPN-INIZCTEOSA-N 1 2 388.537 4.036 20 0 GIADLO O=C(C[NH+]1CCC(Nc2ccc(F)cc2)CC1)Nc1cccc2c1N=S=N2 ZINC000170651209 823927220 /nfs/dbraw/zinc/92/72/20/823927220.db2.gz SCUBPVUNSAPXNJ-UHFFFAOYSA-N 1 2 385.468 4.067 20 0 GIADLO Cc1[nH]c2ccc(CNC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)cc2c1C ZINC000065031083 823927629 /nfs/dbraw/zinc/92/76/29/823927629.db2.gz IGVGKGAMVVEOIT-UHFFFAOYSA-N 1 2 387.487 4.029 20 0 GIADLO Cc1cccc(CCSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)n1 ZINC000575179581 823932312 /nfs/dbraw/zinc/93/23/12/823932312.db2.gz BZTLHIXQWDBELC-HNNXBMFYSA-N 1 2 385.512 4.067 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000575193505 823934762 /nfs/dbraw/zinc/93/47/62/823934762.db2.gz IOMXZTWJXDUBGM-YGRLFVJLSA-N 1 2 393.331 4.417 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000575193505 823934768 /nfs/dbraw/zinc/93/47/68/823934768.db2.gz IOMXZTWJXDUBGM-YGRLFVJLSA-N 1 2 393.331 4.417 20 0 GIADLO Cc1nc(-c2cccc(-c3noc([C@H](c4cccc(Cl)c4)[NH+](C)C)n3)c2)n[nH]1 ZINC000575217005 823942282 /nfs/dbraw/zinc/94/22/82/823942282.db2.gz YAVNTYNNFBBIHX-KRWDZBQOSA-N 1 2 394.866 4.135 20 0 GIADLO Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCC[C@H]2c2cccn2C)cs1 ZINC000170751820 823960989 /nfs/dbraw/zinc/96/09/89/823960989.db2.gz ARZJMVNZWZJMHH-FQEVSTJZSA-N 1 2 394.544 4.308 20 0 GIADLO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCC[C@H]2c2cccn2C)cs1 ZINC000170751820 823960995 /nfs/dbraw/zinc/96/09/95/823960995.db2.gz ARZJMVNZWZJMHH-FQEVSTJZSA-N 1 2 394.544 4.308 20 0 GIADLO COc1ccc([C@H](NCc2c[nH+]c(N(C)C)n2C)c2ccccc2Cl)c(C)c1 ZINC000414355590 823964000 /nfs/dbraw/zinc/96/40/00/823964000.db2.gz CIFUQDXXFJLFRS-NRFANRHFSA-N 1 2 398.938 4.336 20 0 GIADLO COc1cccc([C@@H](NCc2c[nH+]c(N(C)C)n2C)c2ccccc2Cl)c1 ZINC000414359465 823964851 /nfs/dbraw/zinc/96/48/51/823964851.db2.gz ONWHKYAZMPNGFJ-HXUWFJFHSA-N 1 2 384.911 4.027 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCSC4(CCC4)CC3)n2)C1 ZINC000414400305 823972059 /nfs/dbraw/zinc/97/20/59/823972059.db2.gz MMZGBQNXBSKSBX-HNNXBMFYSA-N 1 2 394.610 4.269 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCSC4(CCC4)CC3)n2)C1 ZINC000414400305 823972063 /nfs/dbraw/zinc/97/20/63/823972063.db2.gz MMZGBQNXBSKSBX-HNNXBMFYSA-N 1 2 394.610 4.269 20 0 GIADLO O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000126925430 823982287 /nfs/dbraw/zinc/98/22/87/823982287.db2.gz PEQXIYHWRFWNRY-NRFANRHFSA-N 1 2 388.858 4.440 20 0 GIADLO COc1cccc2cc(C(=O)Nc3ccccc3C[NH+]3C[C@H](C)O[C@@H](C)C3)oc21 ZINC000126926860 823982920 /nfs/dbraw/zinc/98/29/20/823982920.db2.gz FPYUUROLNPTBNQ-HOTGVXAUSA-N 1 2 394.471 4.303 20 0 GIADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C2(C3CCCCC3)CCCCC2)cn1 ZINC000575754128 823986562 /nfs/dbraw/zinc/98/65/62/823986562.db2.gz KDMDHVCQISHCFT-UHFFFAOYSA-N 1 2 397.567 4.176 20 0 GIADLO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ncc(C(C)(C)C)s2)c1 ZINC000414492780 823994709 /nfs/dbraw/zinc/99/47/09/823994709.db2.gz GCTAUXUVGDHSKX-UHFFFAOYSA-N 1 2 386.970 4.177 20 0 GIADLO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000127024202 824002228 /nfs/dbraw/zinc/00/22/28/824002228.db2.gz DYXICRMWMDXVGI-UHFFFAOYSA-N 1 2 389.377 4.102 20 0 GIADLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2c(F)cccc2Br)c1 ZINC000192480947 824007627 /nfs/dbraw/zinc/00/76/27/824007627.db2.gz YCIMJNKDGGTWCY-CYBMUJFWSA-N 1 2 393.300 4.406 20 0 GIADLO OCC1(c2ccccc2)C[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000414548821 824008613 /nfs/dbraw/zinc/00/86/13/824008613.db2.gz KVRKCQZIPGWORJ-UHFFFAOYSA-N 1 2 376.283 4.015 20 0 GIADLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000414550632 824009510 /nfs/dbraw/zinc/00/95/10/824009510.db2.gz DHCYSRDDSXUYQX-UHFFFAOYSA-N 1 2 387.940 4.220 20 0 GIADLO CCCOc1ccc(CN(CCC)C(=O)[C@H]2CCc3c[nH+]cn3C2)cc1OCC ZINC000575871879 824016919 /nfs/dbraw/zinc/01/69/19/824016919.db2.gz VOAZICPFAWLVEB-IBGZPJMESA-N 1 2 399.535 4.072 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)n2)cc1 ZINC000170972116 824024135 /nfs/dbraw/zinc/02/41/35/824024135.db2.gz GFBGORXWKFJFLV-UHFFFAOYSA-N 1 2 381.451 4.234 20 0 GIADLO Cc1nc([C@H](C)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)no1 ZINC000575909634 824027138 /nfs/dbraw/zinc/02/71/38/824027138.db2.gz MTLCQNNZLOKKEZ-KKSFZXQISA-N 1 2 396.922 4.500 20 0 GIADLO CCOC(=O)c1nn(-c2ccccc2)cc1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414846736 824041300 /nfs/dbraw/zinc/04/13/00/824041300.db2.gz HRMHUOSMNIEWJT-UHFFFAOYSA-N 1 2 376.460 4.019 20 0 GIADLO Fc1cccc(Cn2cnc(C[NH2+][C@@H]3CCCc4c5ccccc5[nH]c43)n2)c1 ZINC000576023444 824051896 /nfs/dbraw/zinc/05/18/96/824051896.db2.gz QYJFYRAFTTVIBH-HXUWFJFHSA-N 1 2 375.451 4.114 20 0 GIADLO O=C(CCc1ccccc1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000007452624 209131168 /nfs/dbraw/zinc/13/11/68/209131168.db2.gz JZFOTWQWXZRMCY-UHFFFAOYSA-N 1 2 377.513 4.273 20 0 GIADLO O=C(CCc1ccccc1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000007452624 209131174 /nfs/dbraw/zinc/13/11/74/209131174.db2.gz JZFOTWQWXZRMCY-UHFFFAOYSA-N 1 2 377.513 4.273 20 0 GIADLO O=C(c1ccccc1Br)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000014576769 207025409 /nfs/dbraw/zinc/02/54/09/207025409.db2.gz OKMJKVZVMCWSHF-UHFFFAOYSA-N 1 2 393.712 4.061 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000097132216 208338716 /nfs/dbraw/zinc/33/87/16/208338716.db2.gz XTJPCPYOAYXWBQ-UHFFFAOYSA-N 1 2 393.314 4.220 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@H+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000097132216 208338719 /nfs/dbraw/zinc/33/87/19/208338719.db2.gz XTJPCPYOAYXWBQ-UHFFFAOYSA-N 1 2 393.314 4.220 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000016103410 221357775 /nfs/dbraw/zinc/35/77/75/221357775.db2.gz ACYXLQLZXYDUCO-UHFFFAOYSA-N 1 2 393.318 4.178 20 0 GIADLO FC(F)(F)c1ccc(-c2nc(C[NH+]3CCN(c4ccccn4)CC3)co2)cc1 ZINC000072184081 136167425 /nfs/dbraw/zinc/16/74/25/136167425.db2.gz DUWODQSPCBODQS-UHFFFAOYSA-N 1 2 388.393 4.078 20 0 GIADLO Cc1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1Cl ZINC001164671439 719504122 /nfs/dbraw/zinc/50/41/22/719504122.db2.gz FOIWSFXSIZVDIL-UHFFFAOYSA-N 1 2 389.902 4.054 20 0 GIADLO Cc1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1Cl ZINC001164671439 719504128 /nfs/dbraw/zinc/50/41/28/719504128.db2.gz FOIWSFXSIZVDIL-UHFFFAOYSA-N 1 2 389.902 4.054 20 0 GIADLO Cc1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc2cc(Cl)ccc12 ZINC001165010034 721708588 /nfs/dbraw/zinc/70/85/88/721708588.db2.gz YASSEACYVQKPMH-UHFFFAOYSA-N 1 2 398.942 4.039 20 0 GIADLO Cc1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc2cc(Cl)ccc12 ZINC001165010034 721708594 /nfs/dbraw/zinc/70/85/94/721708594.db2.gz YASSEACYVQKPMH-UHFFFAOYSA-N 1 2 398.942 4.039 20 0 GIADLO C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000175818041 823047297 /nfs/dbraw/zinc/04/72/97/823047297.db2.gz ZLWXOLXHLJUUOO-OAHLLOKOSA-N 1 2 378.501 4.401 20 0 GIADLO O=C(c1csc(-c2ccccc2Cl)n1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120720118 823052162 /nfs/dbraw/zinc/05/21/62/823052162.db2.gz JVJFPTAZXQOLQL-AWEZNQCLSA-N 1 2 385.876 4.152 20 0 GIADLO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC000570552891 823053230 /nfs/dbraw/zinc/05/32/30/823053230.db2.gz BBWAVFOGWUWEEW-JTQLQIEISA-N 1 2 382.411 4.457 20 0 GIADLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000120742907 823055672 /nfs/dbraw/zinc/05/56/72/823055672.db2.gz UIIMEOAYHYOTPV-LJQANCHMSA-N 1 2 387.483 4.418 20 0 GIADLO O=C(Nc1cccc(-c2cccs2)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000175882232 823062774 /nfs/dbraw/zinc/06/27/74/823062774.db2.gz WVEAZKMZUAHXLR-IBGZPJMESA-N 1 2 385.533 4.134 20 0 GIADLO Brc1ccccc1C1(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CCC1 ZINC000570623446 823063766 /nfs/dbraw/zinc/06/37/66/823063766.db2.gz KOROPTMIOIEHSD-GOSISDBHSA-N 1 2 397.320 4.368 20 0 GIADLO CC[N@H+](CC(=O)N1CCC(c2cccc(N)c2)CC1)Cc1ccccc1Cl ZINC000570631214 823064264 /nfs/dbraw/zinc/06/42/64/823064264.db2.gz IZRAJEPWPBUKQY-UHFFFAOYSA-N 1 2 385.939 4.150 20 0 GIADLO CC[N@@H+](CC(=O)N1CCC(c2cccc(N)c2)CC1)Cc1ccccc1Cl ZINC000570631214 823064271 /nfs/dbraw/zinc/06/42/71/823064271.db2.gz IZRAJEPWPBUKQY-UHFFFAOYSA-N 1 2 385.939 4.150 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cccc4[nH]ccc43)CC2)cc1 ZINC000175891969 823064905 /nfs/dbraw/zinc/06/49/05/823064905.db2.gz WBSSFHRPSJBCSO-UHFFFAOYSA-N 1 2 377.492 4.024 20 0 GIADLO CCCCCCOc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1OC ZINC000120812974 823069280 /nfs/dbraw/zinc/06/92/80/823069280.db2.gz PUZGDPOZVVLRQH-UHFFFAOYSA-N 1 2 385.508 4.328 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(C)n2C2CC2)ccc1OCc1ccccc1 ZINC000120828478 823072533 /nfs/dbraw/zinc/07/25/33/823072533.db2.gz BMFCDKORPHTMOU-MRXNPFEDSA-N 1 2 392.503 4.360 20 0 GIADLO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000120830033 823072842 /nfs/dbraw/zinc/07/28/42/823072842.db2.gz RNMMIMQHAQLJQY-PBHICJAKSA-N 1 2 388.537 4.200 20 0 GIADLO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000120830033 823072846 /nfs/dbraw/zinc/07/28/46/823072846.db2.gz RNMMIMQHAQLJQY-PBHICJAKSA-N 1 2 388.537 4.200 20 0 GIADLO COc1cc(CCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)ccc1Cl ZINC000120852686 823076802 /nfs/dbraw/zinc/07/68/02/823076802.db2.gz LHZBFGVXHDGIDC-UHFFFAOYSA-N 1 2 399.878 4.195 20 0 GIADLO Cc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc[nH+]1 ZINC000120856560 823077943 /nfs/dbraw/zinc/07/79/43/823077943.db2.gz IQRYDECESNCKHI-UHFFFAOYSA-N 1 2 389.381 4.365 20 0 GIADLO CCSc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000056016690 823079143 /nfs/dbraw/zinc/07/91/43/823079143.db2.gz RBFYTWZTKBOFOM-HZPDHXFCSA-N 1 2 385.533 4.055 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Br ZINC000187525124 823081645 /nfs/dbraw/zinc/08/16/45/823081645.db2.gz QFFSGDXTVGEILD-UHFFFAOYSA-N 1 2 377.286 4.131 20 0 GIADLO CO[C@H](C)c1noc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2Br)n1 ZINC000570744167 823079778 /nfs/dbraw/zinc/07/97/78/823079778.db2.gz FIVNZWLQVLSUOL-HIFRSBDPSA-N 1 2 394.313 4.137 20 0 GIADLO CO[C@H](C)c1noc(C[N@H+]2CCCC[C@H]2Cc2ccccc2Br)n1 ZINC000570744167 823079784 /nfs/dbraw/zinc/07/97/84/823079784.db2.gz FIVNZWLQVLSUOL-HIFRSBDPSA-N 1 2 394.313 4.137 20 0 GIADLO CN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1c2ccccc2-c2ccccc21 ZINC000175955030 823081432 /nfs/dbraw/zinc/08/14/32/823081432.db2.gz VXLODEBJZCZOLA-UHFFFAOYSA-N 1 2 398.510 4.462 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(OC)cc1C ZINC000175977369 823086923 /nfs/dbraw/zinc/08/69/23/823086923.db2.gz CGPTUHNNSCAQCZ-UHFFFAOYSA-N 1 2 382.508 4.169 20 0 GIADLO Cc1cnc([C@H](C)Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)cn1 ZINC000570790214 823087913 /nfs/dbraw/zinc/08/79/13/823087913.db2.gz JUDQSLUYIXQMRY-KRWDZBQOSA-N 1 2 394.548 4.205 20 0 GIADLO Cc1ncsc1CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000570796034 823088777 /nfs/dbraw/zinc/08/87/77/823088777.db2.gz HJLBRIDLWDFBDQ-UHFFFAOYSA-N 1 2 381.505 4.016 20 0 GIADLO C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000570836904 823093543 /nfs/dbraw/zinc/09/35/43/823093543.db2.gz XMZIBLAMKWSSOS-LQLPYNBSSA-N 1 2 375.472 4.001 20 0 GIADLO C[C@H](CC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)n1cc[nH+]c1 ZINC000570850346 823095477 /nfs/dbraw/zinc/09/54/77/823095477.db2.gz WXETUMCDLSUOQE-WBMJQRKESA-N 1 2 380.261 4.100 20 0 GIADLO O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000458855303 823098174 /nfs/dbraw/zinc/09/81/74/823098174.db2.gz ZBHZTYKSACAOCL-HZPDHXFCSA-N 1 2 380.414 4.035 20 0 GIADLO COc1cccc(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1OC ZINC000056201869 823101941 /nfs/dbraw/zinc/10/19/41/823101941.db2.gz PRYXMJNDFBFFGN-NRFANRHFSA-N 1 2 394.446 4.313 20 0 GIADLO COc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c(OC)c1 ZINC000056202446 823102344 /nfs/dbraw/zinc/10/23/44/823102344.db2.gz OKEPSPLHKHGHHQ-JOCHJYFZSA-N 1 2 394.446 4.313 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000177897970 823543335 /nfs/dbraw/zinc/54/33/35/823543335.db2.gz DDIIFTPGRJLVMH-LBPRGKRZSA-N 1 2 398.841 4.162 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCc2cc(OC(F)F)ccc21 ZINC000056237990 823109843 /nfs/dbraw/zinc/10/98/43/823109843.db2.gz HPMFYYAPOFJXIE-UHFFFAOYSA-N 1 2 383.398 4.126 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000458993390 823114071 /nfs/dbraw/zinc/11/40/71/823114071.db2.gz DPKYYESTBJBVKQ-QAPCUYQASA-N 1 2 390.890 4.253 20 0 GIADLO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000459011077 823116438 /nfs/dbraw/zinc/11/64/38/823116438.db2.gz MYOIJRSYHYSZLZ-WMLDXEAASA-N 1 2 376.863 4.243 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000121114522 823121327 /nfs/dbraw/zinc/12/13/27/823121327.db2.gz VKTFDCZASSSRGA-ZDUSSCGKSA-N 1 2 379.492 4.367 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000121114522 823121331 /nfs/dbraw/zinc/12/13/31/823121331.db2.gz VKTFDCZASSSRGA-ZDUSSCGKSA-N 1 2 379.492 4.367 20 0 GIADLO C[C@H](CC(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1)n1cc[nH+]c1 ZINC000571049195 823125127 /nfs/dbraw/zinc/12/51/27/823125127.db2.gz FKRPSLBFILLAQA-SJORKVTESA-N 1 2 381.451 4.430 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c[nH+]1 ZINC000459081402 823125152 /nfs/dbraw/zinc/12/51/52/823125152.db2.gz QTCLPWMKTVUBII-SFHVURJKSA-N 1 2 383.883 4.275 20 0 GIADLO Cc1cc(C)c(CNC(=O)NC(C)(C)c2ccccc2Br)c[nH+]1 ZINC000459084980 823125814 /nfs/dbraw/zinc/12/58/14/823125814.db2.gz UYSCGUYPGFIZBI-UHFFFAOYSA-N 1 2 376.298 4.195 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000187753138 823125886 /nfs/dbraw/zinc/12/58/86/823125886.db2.gz HFFVNCKAEZKRHP-UHFFFAOYSA-N 1 2 396.384 4.237 20 0 GIADLO Cc1ccc(C2(NC(=O)Cc3c[nH+]cn3C)CCCCC2)c(Br)c1 ZINC000571076151 823128522 /nfs/dbraw/zinc/12/85/22/823128522.db2.gz NHVUUUPOBHAQME-UHFFFAOYSA-N 1 2 390.325 4.009 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NCCc1ccc(F)cc1 ZINC000121167226 823131102 /nfs/dbraw/zinc/13/11/02/823131102.db2.gz SDUFBAAIFZVDPQ-OAHLLOKOSA-N 1 2 377.529 4.066 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NCCc1ccc(F)cc1 ZINC000121167226 823131106 /nfs/dbraw/zinc/13/11/06/823131106.db2.gz SDUFBAAIFZVDPQ-OAHLLOKOSA-N 1 2 377.529 4.066 20 0 GIADLO Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC000571093622 823131256 /nfs/dbraw/zinc/13/12/56/823131256.db2.gz FTPCEWZSDOSBIS-ZDUSSCGKSA-N 1 2 391.397 4.294 20 0 GIADLO c1cc([C@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)[nH]n1 ZINC000121222614 823141597 /nfs/dbraw/zinc/14/15/97/823141597.db2.gz IXINHIWTTMTIOF-IBGZPJMESA-N 1 2 384.487 4.037 20 0 GIADLO c1cc([C@H]2CCC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)[nH]n1 ZINC000121222614 823141601 /nfs/dbraw/zinc/14/16/01/823141601.db2.gz IXINHIWTTMTIOF-IBGZPJMESA-N 1 2 384.487 4.037 20 0 GIADLO CO[C@@H](C)c1noc(C[NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)n1 ZINC000187836756 823143313 /nfs/dbraw/zinc/14/33/13/823143313.db2.gz UYYKZLHQDMYFOU-ZDUSSCGKSA-N 1 2 399.413 4.087 20 0 GIADLO Cc1ccc(-c2ncc(C[N@@H+]3CCCN(C(=O)c4ccccc4)CC3)s2)o1 ZINC000121265090 823150867 /nfs/dbraw/zinc/15/08/67/823150867.db2.gz WBDDWIVWCOKSAF-UHFFFAOYSA-N 1 2 381.501 4.060 20 0 GIADLO Cc1ccc(-c2ncc(C[N@H+]3CCCN(C(=O)c4ccccc4)CC3)s2)o1 ZINC000121265090 823150869 /nfs/dbraw/zinc/15/08/69/823150869.db2.gz WBDDWIVWCOKSAF-UHFFFAOYSA-N 1 2 381.501 4.060 20 0 GIADLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1nnc(-c3cc4c(s3)CCCC4)o1)C2 ZINC000121274395 823152842 /nfs/dbraw/zinc/15/28/42/823152842.db2.gz SWKLXDAZGOYZKP-UHFFFAOYSA-N 1 2 397.548 4.092 20 0 GIADLO O=C(CCCc1cc(Cl)sc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121287406 823155510 /nfs/dbraw/zinc/15/55/10/823155510.db2.gz CVMWMHVOTSSHPK-AWEZNQCLSA-N 1 2 385.316 4.453 20 0 GIADLO CCC[N@H+](Cc1cc(-c2ccccc2C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000459280174 823155906 /nfs/dbraw/zinc/15/59/06/823155906.db2.gz AVXXIVNZBWBPPR-HXUWFJFHSA-N 1 2 387.545 4.070 20 0 GIADLO CCC[N@@H+](Cc1cc(-c2ccccc2C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000459280174 823155907 /nfs/dbraw/zinc/15/59/07/823155907.db2.gz AVXXIVNZBWBPPR-HXUWFJFHSA-N 1 2 387.545 4.070 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459320815 823161116 /nfs/dbraw/zinc/16/11/16/823161116.db2.gz TUGQJAFZTMQJLT-GIVPXCGWSA-N 1 2 396.535 4.072 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1Cc2ccc(Cl)cc2C1 ZINC000459314500 823159973 /nfs/dbraw/zinc/15/99/73/823159973.db2.gz ZTPBFVYKMLYTEQ-UHFFFAOYSA-N 1 2 376.913 4.330 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccccc1N1CCCCC1 ZINC000056527998 823162484 /nfs/dbraw/zinc/16/24/84/823162484.db2.gz BLPNDLIZPQCDOD-UHFFFAOYSA-N 1 2 375.476 4.184 20 0 GIADLO CC(C)c1nc([C@@H]2CCC[N@H+](Cc3cccc(O)c3Br)C2)no1 ZINC000459331114 823162711 /nfs/dbraw/zinc/16/27/11/823162711.db2.gz UOCABWFEUJKOLU-CYBMUJFWSA-N 1 2 380.286 4.041 20 0 GIADLO CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3cccc(O)c3Br)C2)no1 ZINC000459331114 823162714 /nfs/dbraw/zinc/16/27/14/823162714.db2.gz UOCABWFEUJKOLU-CYBMUJFWSA-N 1 2 380.286 4.041 20 0 GIADLO CCc1c(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)onc1C(F)(F)F ZINC000571340995 823167998 /nfs/dbraw/zinc/16/79/98/823167998.db2.gz HCVQGBARJMCNEM-LBPRGKRZSA-N 1 2 375.778 4.151 20 0 GIADLO CCOC(=O)c1noc(C[NH2+]C(CC)(CC)c2ccc(Cl)c(Cl)c2)n1 ZINC000459360059 823171253 /nfs/dbraw/zinc/17/12/53/823171253.db2.gz DUQXXHYBFSGSGG-UHFFFAOYSA-N 1 2 386.279 4.358 20 0 GIADLO CCN(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(OC)cc1 ZINC000459363029 823172557 /nfs/dbraw/zinc/17/25/57/823172557.db2.gz RCECETJRJNEFJW-QZTJIDSGSA-N 1 2 397.519 4.363 20 0 GIADLO COc1cc(-c2noc(C[N@H+](C)[C@H]3CCCc4nc(C)sc43)n2)ccc1C ZINC000121403866 823178421 /nfs/dbraw/zinc/17/84/21/823178421.db2.gz PVJWQLWUMOZJOV-INIZCTEOSA-N 1 2 384.505 4.328 20 0 GIADLO COc1cc(-c2noc(C[N@@H+](C)[C@H]3CCCc4nc(C)sc43)n2)ccc1C ZINC000121403866 823178424 /nfs/dbraw/zinc/17/84/24/823178424.db2.gz PVJWQLWUMOZJOV-INIZCTEOSA-N 1 2 384.505 4.328 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc(OC(F)(F)F)c1 ZINC000056607137 823179592 /nfs/dbraw/zinc/17/95/92/823179592.db2.gz GIZAVKMPAMOERV-UHFFFAOYSA-N 1 2 376.338 4.093 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2ccc(Cn3cccn3)cc2)no1)c1cccc(Cl)c1 ZINC000571444009 823183308 /nfs/dbraw/zinc/18/33/08/823183308.db2.gz GWLFJCGGHMAIJT-LJQANCHMSA-N 1 2 393.878 4.286 20 0 GIADLO COCc1cc(C[NH2+][C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)no1 ZINC000459394579 823182069 /nfs/dbraw/zinc/18/20/69/823182069.db2.gz XLLKHJXMDXABMX-OAQYLSRUSA-N 1 2 396.487 4.220 20 0 GIADLO CC(C)Oc1ccc(C[NH2+][C@](C)(C(N)=O)c2cccc(Cl)c2)cc1Cl ZINC000188077088 823182777 /nfs/dbraw/zinc/18/27/77/823182777.db2.gz YEKRIYHSCIZIDX-IBGZPJMESA-N 1 2 381.303 4.271 20 0 GIADLO C[N@H+](Cc1ccc(-c2ccncc2)cc1F)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000188083422 823183842 /nfs/dbraw/zinc/18/38/42/823183842.db2.gz RCRKYGBHYNWYPT-QHCPKHFHSA-N 1 2 389.474 4.121 20 0 GIADLO C[N@@H+](Cc1ccc(-c2ccncc2)cc1F)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000188083422 823183848 /nfs/dbraw/zinc/18/38/48/823183848.db2.gz RCRKYGBHYNWYPT-QHCPKHFHSA-N 1 2 389.474 4.121 20 0 GIADLO Cc1nc([C@H]2CCCN2C(=O)CSCc2cn3cc(C)ccc3[nH+]2)cs1 ZINC000188109281 823188063 /nfs/dbraw/zinc/18/80/63/823188063.db2.gz VIKAYWPZGKHPNJ-QGZVFWFLSA-N 1 2 386.546 4.005 20 0 GIADLO CSc1ccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000056661917 823191950 /nfs/dbraw/zinc/19/19/50/823191950.db2.gz WSCMBCXEVSIYIV-IRXDYDNUSA-N 1 2 399.560 4.339 20 0 GIADLO Cc1c2ccccc2[nH+]c(NCc2ccccc2C[N@@H+](C)C(C)C)c1C(=O)[O-] ZINC000571564892 823200973 /nfs/dbraw/zinc/20/09/73/823200973.db2.gz BFMJAVKQDXNJJN-UHFFFAOYSA-N 1 2 377.488 4.116 20 0 GIADLO Cc1c2ccccc2[nH+]c(NCc2ccccc2C[N@H+](C)C(C)C)c1C(=O)[O-] ZINC000571564892 823200978 /nfs/dbraw/zinc/20/09/78/823200978.db2.gz BFMJAVKQDXNJJN-UHFFFAOYSA-N 1 2 377.488 4.116 20 0 GIADLO Cc1ccc(Sc2ncccc2C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000176390307 823196606 /nfs/dbraw/zinc/19/66/06/823196606.db2.gz DDJFTOVCMUKCGN-MRXNPFEDSA-N 1 2 380.517 4.112 20 0 GIADLO COc1cccc(Oc2ccc(NC(=O)NCCCCn3cc[nH+]c3)cc2)c1 ZINC000056710890 823196864 /nfs/dbraw/zinc/19/68/64/823196864.db2.gz LOGOXDXGIJJXPW-UHFFFAOYSA-N 1 2 380.448 4.286 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000056714718 823198003 /nfs/dbraw/zinc/19/80/03/823198003.db2.gz LSMMLCFWCWHPRY-UHFFFAOYSA-N 1 2 397.429 4.072 20 0 GIADLO OC[C@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2)CC[C@H]1C(F)(F)F ZINC000459466958 823198389 /nfs/dbraw/zinc/19/83/89/823198389.db2.gz POPFAFHQZFXTNY-ZWNOBZJWSA-N 1 2 386.639 4.095 20 0 GIADLO OC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2)CC[C@H]1C(F)(F)F ZINC000459466958 823198392 /nfs/dbraw/zinc/19/83/92/823198392.db2.gz POPFAFHQZFXTNY-ZWNOBZJWSA-N 1 2 386.639 4.095 20 0 GIADLO Cc1sc2[nH]c([C@H](C)[N@H+](C)Cc3ccccc3N3CCCC3)nc(=O)c2c1C ZINC000121517952 823198815 /nfs/dbraw/zinc/19/88/15/823198815.db2.gz YVRKTJRFKFVMIK-HNNXBMFYSA-N 1 2 396.560 4.395 20 0 GIADLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)Cc3ccccc3N3CCCC3)nc(=O)c2c1C ZINC000121517952 823198817 /nfs/dbraw/zinc/19/88/17/823198817.db2.gz YVRKTJRFKFVMIK-HNNXBMFYSA-N 1 2 396.560 4.395 20 0 GIADLO C[C@H](CNC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)Cn1cc[nH+]c1 ZINC000176400601 823199974 /nfs/dbraw/zinc/19/99/74/823199974.db2.gz AKRYWHMZUHKTKT-QGZVFWFLSA-N 1 2 397.906 4.111 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)c2)oc1C ZINC000056739266 823204180 /nfs/dbraw/zinc/20/41/80/823204180.db2.gz VKDWRBRHHLJODO-GOSISDBHSA-N 1 2 381.480 4.391 20 0 GIADLO CC(C)n1cnnc1-c1ccccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000571598354 823205560 /nfs/dbraw/zinc/20/55/60/823205560.db2.gz SPYMPXWUIXNBMR-UHFFFAOYSA-N 1 2 386.459 4.023 20 0 GIADLO Cc1cc(-c2nnc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCC3)o2)c(C)o1 ZINC000459541502 823215974 /nfs/dbraw/zinc/21/59/74/823215974.db2.gz ZLVWJBYMBFKZEB-HXUWFJFHSA-N 1 2 381.476 4.330 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000056832219 823220238 /nfs/dbraw/zinc/22/02/38/823220238.db2.gz RZUTTWNVCXIEOA-NRFANRHFSA-N 1 2 392.478 4.160 20 0 GIADLO Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000409454066 823222718 /nfs/dbraw/zinc/22/27/18/823222718.db2.gz RCURXGDOSQCLMD-AWEZNQCLSA-N 1 2 387.842 4.057 20 0 GIADLO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc(Br)c1O ZINC000459554014 823219124 /nfs/dbraw/zinc/21/91/24/823219124.db2.gz BYCYCPVRIZPQOD-MRXNPFEDSA-N 1 2 377.282 4.286 20 0 GIADLO CCOc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc(Br)c1O ZINC000459554014 823219132 /nfs/dbraw/zinc/21/91/32/823219132.db2.gz BYCYCPVRIZPQOD-MRXNPFEDSA-N 1 2 377.282 4.286 20 0 GIADLO CCOc1cc(C[NH2+][C@H]2COc3cccc(Cl)c32)cc(Br)c1O ZINC000459574275 823223419 /nfs/dbraw/zinc/22/34/19/823223419.db2.gz XGUBJDOMOCNFOS-ZDUSSCGKSA-N 1 2 398.684 4.430 20 0 GIADLO CCOC(=O)COc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 ZINC000571721320 823224948 /nfs/dbraw/zinc/22/49/48/823224948.db2.gz HZVPKNGNCIAIHK-IBGZPJMESA-N 1 2 399.491 4.006 20 0 GIADLO CCOC(=O)COc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1 ZINC000571721320 823224949 /nfs/dbraw/zinc/22/49/49/823224949.db2.gz HZVPKNGNCIAIHK-IBGZPJMESA-N 1 2 399.491 4.006 20 0 GIADLO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000056866811 823225682 /nfs/dbraw/zinc/22/56/82/823225682.db2.gz ODJLGLCDRCCJRP-UHFFFAOYSA-N 1 2 382.489 4.479 20 0 GIADLO O=C(NCC1(Cc2cccc(Cl)c2)CC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000459587574 823225784 /nfs/dbraw/zinc/22/57/84/823225784.db2.gz WLMFRCNKZJSGLU-UHFFFAOYSA-N 1 2 395.894 4.124 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3c(F)c(F)cc(F)c3F)n2)C1 ZINC000176533540 823230894 /nfs/dbraw/zinc/23/08/94/823230894.db2.gz JEBDZSPZRMTKJE-VIFPVBQESA-N 1 2 387.402 4.184 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c(F)c(F)cc(F)c3F)n2)C1 ZINC000176533540 823230902 /nfs/dbraw/zinc/23/09/02/823230902.db2.gz JEBDZSPZRMTKJE-VIFPVBQESA-N 1 2 387.402 4.184 20 0 GIADLO COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000571766340 823232063 /nfs/dbraw/zinc/23/20/63/823232063.db2.gz RVIVRKHQCMXRSL-CQSZACIVSA-N 1 2 383.473 4.296 20 0 GIADLO Cc1cc(CNC(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc(C)[nH+]1 ZINC000571794325 823235219 /nfs/dbraw/zinc/23/52/19/823235219.db2.gz MYZLNPYLMJVWCC-ZWKOTPCHSA-N 1 2 377.492 4.100 20 0 GIADLO C[C@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000409516170 823238947 /nfs/dbraw/zinc/23/89/47/823238947.db2.gz HBIJQZHKUAIZCD-HNNXBMFYSA-N 1 2 392.421 4.280 20 0 GIADLO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000057041479 823242641 /nfs/dbraw/zinc/24/26/41/823242641.db2.gz GMYVCQZODUUNQW-OAQYLSRUSA-N 1 2 389.499 4.066 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC2(CCCC2)c2c1cccc2F ZINC000409520951 823240162 /nfs/dbraw/zinc/24/01/62/823240162.db2.gz RKURZSDHZWMOLY-UHFFFAOYSA-N 1 2 394.494 4.231 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C)c1 ZINC000057024446 823240371 /nfs/dbraw/zinc/24/03/71/823240371.db2.gz FLSKRPXVEOOWQL-SFHVURJKSA-N 1 2 385.939 4.414 20 0 GIADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1csc(COc2ccc(OC)cc2)n1 ZINC000459669834 823246647 /nfs/dbraw/zinc/24/66/47/823246647.db2.gz FBKUPPQVEXQOIS-KRWDZBQOSA-N 1 2 376.522 4.122 20 0 GIADLO CCOC[C@@H]1CCCC[N@H+]1Cc1csc(COc2ccc(OC)cc2)n1 ZINC000459669834 823246654 /nfs/dbraw/zinc/24/66/54/823246654.db2.gz FBKUPPQVEXQOIS-KRWDZBQOSA-N 1 2 376.522 4.122 20 0 GIADLO C[C@@H]1CCN(C(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000188485277 823248659 /nfs/dbraw/zinc/24/86/59/823248659.db2.gz NJRGGCZGCUWDQJ-QAPCUYQASA-N 1 2 391.437 4.334 20 0 GIADLO CC(C)c1[nH+]c(CNC[C@@H](C)c2nc(-c3ccccc3)no2)c2ccccn21 ZINC000571887692 823250089 /nfs/dbraw/zinc/25/00/89/823250089.db2.gz WHVKCMJDFFFWJB-MRXNPFEDSA-N 1 2 375.476 4.401 20 0 GIADLO O=C(N[C@H](CC(F)(F)F)c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000057131217 823253040 /nfs/dbraw/zinc/25/30/40/823253040.db2.gz KKBHUVUAOWUYEY-QGZVFWFLSA-N 1 2 397.466 4.269 20 0 GIADLO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000057170322 823258325 /nfs/dbraw/zinc/25/83/25/823258325.db2.gz YNOOJPDPQSXTAL-KRWDZBQOSA-N 1 2 384.483 4.154 20 0 GIADLO COc1cc(NC(=O)CC[N@@H+]2Cc3ccc(Cl)cc3C2)c(OC)cc1Cl ZINC000459760916 823261600 /nfs/dbraw/zinc/26/16/00/823261600.db2.gz KHYTXKYOGFOVFD-UHFFFAOYSA-N 1 2 395.286 4.355 20 0 GIADLO COc1cc(NC(=O)CC[N@H+]2Cc3ccc(Cl)cc3C2)c(OC)cc1Cl ZINC000459760916 823261602 /nfs/dbraw/zinc/26/16/02/823261602.db2.gz KHYTXKYOGFOVFD-UHFFFAOYSA-N 1 2 395.286 4.355 20 0 GIADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccc(Cl)c2cccnc12)c1cccs1 ZINC000121861281 823265148 /nfs/dbraw/zinc/26/51/48/823265148.db2.gz NDUAELWSUBCGEI-YJBOKZPZSA-N 1 2 388.920 4.274 20 0 GIADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccc(Cl)c2cccnc12)c1cccs1 ZINC000121861281 823265154 /nfs/dbraw/zinc/26/51/54/823265154.db2.gz NDUAELWSUBCGEI-YJBOKZPZSA-N 1 2 388.920 4.274 20 0 GIADLO CCOc1ccc(OCC)c(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000409627558 823265699 /nfs/dbraw/zinc/26/56/99/823265699.db2.gz OSDBPBIGFRVKED-UHFFFAOYSA-N 1 2 398.438 4.131 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[NH2+]C3(c4ccc(Cl)cc4)CC3)nc2c1 ZINC000571987407 823265853 /nfs/dbraw/zinc/26/58/53/823265853.db2.gz AETROKVLCYSXDF-UHFFFAOYSA-N 1 2 390.892 4.054 20 0 GIADLO CCCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000003551827 817483942 /nfs/dbraw/zinc/48/39/42/817483942.db2.gz UWRZVYFWGUCJLC-KRWDZBQOSA-N 1 2 389.569 4.130 20 0 GIADLO CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1[C@@H](CC)[NH+](C)C ZINC000003553590 817484093 /nfs/dbraw/zinc/48/40/93/817484093.db2.gz FJIXXOHZONPYGL-NVXWUHKLSA-N 1 2 389.569 4.210 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000003585618 817489045 /nfs/dbraw/zinc/48/90/45/817489045.db2.gz QTYMXNMPXLSHJD-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000003585618 817489049 /nfs/dbraw/zinc/48/90/49/817489049.db2.gz QTYMXNMPXLSHJD-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO O=C(CSC[C@@H]1CCCCO1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000571996071 823267053 /nfs/dbraw/zinc/26/70/53/823267053.db2.gz LIORBFVPCYDMDV-KRWDZBQOSA-N 1 2 385.533 4.127 20 0 GIADLO CCC[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1 ZINC000057230008 823267555 /nfs/dbraw/zinc/26/75/55/823267555.db2.gz ZXQKVEZKSSZZHD-NRFANRHFSA-N 1 2 390.487 4.183 20 0 GIADLO Cc1oc(-c2ccccc2)c(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC000188639034 823278442 /nfs/dbraw/zinc/27/84/42/823278442.db2.gz VWBULHFLAJLFMK-SFHVURJKSA-N 1 2 377.488 4.392 20 0 GIADLO O=C(Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000460027224 823280723 /nfs/dbraw/zinc/28/07/23/823280723.db2.gz LGTKKUQGTIQXAG-INIZCTEOSA-N 1 2 399.705 4.486 20 0 GIADLO O=C(Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000460027224 823280728 /nfs/dbraw/zinc/28/07/28/823280728.db2.gz LGTKKUQGTIQXAG-INIZCTEOSA-N 1 2 399.705 4.486 20 0 GIADLO CCCC1CCC(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000057361556 823282324 /nfs/dbraw/zinc/28/23/24/823282324.db2.gz KDLIEXPTHSDUFX-UHFFFAOYSA-N 1 2 382.508 4.001 20 0 GIADLO CCCOc1cc(OC)ccc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000188663366 823282433 /nfs/dbraw/zinc/28/24/33/823282433.db2.gz JZLIOUPTMYQQQW-UHFFFAOYSA-N 1 2 395.459 4.012 20 0 GIADLO OCCC[C@@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccccc1 ZINC000121951107 823283775 /nfs/dbraw/zinc/28/37/75/823283775.db2.gz SREQXAGNZPCMAX-QGZVFWFLSA-N 1 2 383.517 4.280 20 0 GIADLO Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000057373026 823283942 /nfs/dbraw/zinc/28/39/42/823283942.db2.gz AWGSTFPRBWMYPJ-UHFFFAOYSA-N 1 2 379.508 4.042 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000006976580 817732866 /nfs/dbraw/zinc/73/28/66/817732866.db2.gz MROHQONEQCQQCE-UHFFFAOYSA-N 1 2 380.467 4.007 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000006976580 817732870 /nfs/dbraw/zinc/73/28/70/817732870.db2.gz MROHQONEQCQQCE-UHFFFAOYSA-N 1 2 380.467 4.007 20 0 GIADLO COc1cc2c(cc1NC(=O)CSc1nc(N)cc(C)[nH+]1)oc1ccccc12 ZINC000007048421 817746817 /nfs/dbraw/zinc/74/68/17/817746817.db2.gz BGJSXYMNEFKERQ-UHFFFAOYSA-N 1 2 394.456 4.006 20 0 GIADLO CC(C)(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1Br ZINC000409706331 823287346 /nfs/dbraw/zinc/28/73/46/823287346.db2.gz PLSJXVATEQPLMU-UHFFFAOYSA-N 1 2 398.304 4.229 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N3CCC[C@@H]([C@@H]4CCOC4)C3)c12 ZINC000409714771 823289141 /nfs/dbraw/zinc/28/91/41/823289141.db2.gz WURWGPTYLUSRNL-CHWSQXEVSA-N 1 2 379.273 4.389 20 0 GIADLO Cc1ccccc1C1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCOCC1 ZINC000057397018 823290153 /nfs/dbraw/zinc/29/01/53/823290153.db2.gz MENZOIFFJLPJAC-UHFFFAOYSA-N 1 2 379.435 4.007 20 0 GIADLO CC(C)c1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2n1 ZINC000409734635 823294541 /nfs/dbraw/zinc/29/45/41/823294541.db2.gz QYOPYZNHVFJIFE-UHFFFAOYSA-N 1 2 389.499 4.443 20 0 GIADLO COc1csc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000176798791 823295410 /nfs/dbraw/zinc/29/54/10/823295410.db2.gz YACKNQMXZDJZEO-UHFFFAOYSA-N 1 2 399.343 4.458 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2C)c1 ZINC000007716757 817901601 /nfs/dbraw/zinc/90/16/01/817901601.db2.gz FTMZAJRNHWLKEJ-IBGZPJMESA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2C)c1 ZINC000007716757 817901605 /nfs/dbraw/zinc/90/16/05/817901605.db2.gz FTMZAJRNHWLKEJ-IBGZPJMESA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 ZINC000007719635 817902354 /nfs/dbraw/zinc/90/23/54/817902354.db2.gz MLHZTULCDQIGJW-HXUWFJFHSA-N 1 2 382.504 4.405 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 ZINC000007719635 817902358 /nfs/dbraw/zinc/90/23/58/817902358.db2.gz MLHZTULCDQIGJW-HXUWFJFHSA-N 1 2 382.504 4.405 20 0 GIADLO FC(F)(F)CC[N@H+](CC1CC1)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000176815874 823300320 /nfs/dbraw/zinc/30/03/20/823300320.db2.gz VOGQGIIPHKUQNH-UHFFFAOYSA-N 1 2 376.473 4.215 20 0 GIADLO FC(F)(F)CC[N@@H+](CC1CC1)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000176815874 823300326 /nfs/dbraw/zinc/30/03/26/823300326.db2.gz VOGQGIIPHKUQNH-UHFFFAOYSA-N 1 2 376.473 4.215 20 0 GIADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000122081341 823303131 /nfs/dbraw/zinc/30/31/31/823303131.db2.gz BKWBKNNIEDSIKP-GDBMZVCRSA-N 1 2 396.491 4.308 20 0 GIADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000122081341 823303134 /nfs/dbraw/zinc/30/31/34/823303134.db2.gz BKWBKNNIEDSIKP-GDBMZVCRSA-N 1 2 396.491 4.308 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)Cc1ccsc1 ZINC000007806524 817921336 /nfs/dbraw/zinc/92/13/36/817921336.db2.gz RYKVHOQFTBGCFU-UHFFFAOYSA-N 1 2 397.475 4.210 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)Cc1ccsc1 ZINC000007806524 817921341 /nfs/dbraw/zinc/92/13/41/817921341.db2.gz RYKVHOQFTBGCFU-UHFFFAOYSA-N 1 2 397.475 4.210 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccccc3)no2)cc1Br ZINC000007879557 817948266 /nfs/dbraw/zinc/94/82/66/817948266.db2.gz KFHMQGZMXBWVIN-LBPRGKRZSA-N 1 2 388.265 4.359 20 0 GIADLO Cc1ccncc1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000460167768 823303533 /nfs/dbraw/zinc/30/35/33/823303533.db2.gz VUBCAPYVTHRAGN-UHFFFAOYSA-N 1 2 382.467 4.232 20 0 GIADLO Cc1c(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cccc1N(C)C ZINC000572224585 823304338 /nfs/dbraw/zinc/30/43/38/823304338.db2.gz QXSSXQDIAYLITJ-UHFFFAOYSA-N 1 2 381.524 4.005 20 0 GIADLO COc1cc(C)c(C[N@H+](C)CN2c3cccc4cccc(c34)C2=O)cc1OC ZINC000008104057 818000612 /nfs/dbraw/zinc/00/06/12/818000612.db2.gz PHVHMCYLYMISGE-UHFFFAOYSA-N 1 2 376.456 4.215 20 0 GIADLO COc1cc(C)c(C[N@@H+](C)CN2c3cccc4cccc(c34)C2=O)cc1OC ZINC000008104057 818000618 /nfs/dbraw/zinc/00/06/18/818000618.db2.gz PHVHMCYLYMISGE-UHFFFAOYSA-N 1 2 376.456 4.215 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@@H+](C)[C@H](C)C3(C)CC3)c2=S)c1 ZINC000176830986 823304617 /nfs/dbraw/zinc/30/46/17/823304617.db2.gz HWYHKRAQRDXZAM-CQSZACIVSA-N 1 2 399.564 4.317 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@H+](C)[C@H](C)C3(C)CC3)c2=S)c1 ZINC000176830986 823304623 /nfs/dbraw/zinc/30/46/23/823304623.db2.gz HWYHKRAQRDXZAM-CQSZACIVSA-N 1 2 399.564 4.317 20 0 GIADLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)c1C ZINC000008152657 818008050 /nfs/dbraw/zinc/00/80/50/818008050.db2.gz GDZAWQWBAOLLDO-UHFFFAOYSA-N 1 2 378.472 4.097 20 0 GIADLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)c1C ZINC000008152657 818008055 /nfs/dbraw/zinc/00/80/55/818008055.db2.gz GDZAWQWBAOLLDO-UHFFFAOYSA-N 1 2 378.472 4.097 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(SC(F)F)cc2)cc1F ZINC000008214342 818019444 /nfs/dbraw/zinc/01/94/44/818019444.db2.gz VKNMVEBGLXZAPM-UHFFFAOYSA-N 1 2 384.423 4.220 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(SC(F)F)cc2)cc1F ZINC000008214342 818019449 /nfs/dbraw/zinc/01/94/49/818019449.db2.gz VKNMVEBGLXZAPM-UHFFFAOYSA-N 1 2 384.423 4.220 20 0 GIADLO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000122094757 823305911 /nfs/dbraw/zinc/30/59/11/823305911.db2.gz LXPBVJOLUOSVLM-GOSISDBHSA-N 1 2 380.517 4.244 20 0 GIADLO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000122094757 823305917 /nfs/dbraw/zinc/30/59/17/823305917.db2.gz LXPBVJOLUOSVLM-GOSISDBHSA-N 1 2 380.517 4.244 20 0 GIADLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000008262071 818026302 /nfs/dbraw/zinc/02/63/02/818026302.db2.gz JDRXTVQDNOTJKL-QGZVFWFLSA-N 1 2 393.512 4.317 20 0 GIADLO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000008262071 818026309 /nfs/dbraw/zinc/02/63/09/818026309.db2.gz JDRXTVQDNOTJKL-QGZVFWFLSA-N 1 2 393.512 4.317 20 0 GIADLO Cc1sc2nc([C@@H](C)[NH+]3CCN(c4cccc(C)c4C)CC3)nc(N)c2c1C ZINC000011049560 818048257 /nfs/dbraw/zinc/04/82/57/818048257.db2.gz LBWBEBOREUHMCG-MRXNPFEDSA-N 1 2 395.576 4.390 20 0 GIADLO Cc1ccccc1CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000011764900 818118164 /nfs/dbraw/zinc/11/81/64/818118164.db2.gz ZQDFPXUDKBSOGO-UHFFFAOYSA-N 1 2 377.513 4.191 20 0 GIADLO Cc1ccccc1CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000011764900 818118168 /nfs/dbraw/zinc/11/81/68/818118168.db2.gz ZQDFPXUDKBSOGO-UHFFFAOYSA-N 1 2 377.513 4.191 20 0 GIADLO COc1ccc([C@H](NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C(C)C)cc1 ZINC000057609326 823314205 /nfs/dbraw/zinc/31/42/05/823314205.db2.gz KWRGWGUUDHWPRE-HXUWFJFHSA-N 1 2 385.508 4.254 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCCO[C@H](C)c2ccccc2)c1C ZINC000057609496 823314586 /nfs/dbraw/zinc/31/45/86/823314586.db2.gz DPQXBHQPPJSCIM-GOSISDBHSA-N 1 2 385.508 4.016 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2cccc(OCC(C)C)c2)c1C ZINC000057618820 823315495 /nfs/dbraw/zinc/31/54/95/823315495.db2.gz DVQYNPXLNZGZLO-UHFFFAOYSA-N 1 2 385.508 4.083 20 0 GIADLO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000012441128 818160221 /nfs/dbraw/zinc/16/02/21/818160221.db2.gz RUXZFOHTPGJSGT-JOCHJYFZSA-N 1 2 388.471 4.262 20 0 GIADLO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000012441128 818160225 /nfs/dbraw/zinc/16/02/25/818160225.db2.gz RUXZFOHTPGJSGT-JOCHJYFZSA-N 1 2 388.471 4.262 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000013729121 818215158 /nfs/dbraw/zinc/21/51/58/818215158.db2.gz RDPIGJJMCNJXDP-HXUWFJFHSA-N 1 2 385.511 4.119 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cccc3c2N=S=N3)s1 ZINC000122219802 823323205 /nfs/dbraw/zinc/32/32/05/823323205.db2.gz CCWLBNKOIWCMHW-NSHDSACASA-N 1 2 375.523 4.372 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cccc3c2N=S=N3)s1 ZINC000122219802 823323212 /nfs/dbraw/zinc/32/32/12/823323212.db2.gz CCWLBNKOIWCMHW-NSHDSACASA-N 1 2 375.523 4.372 20 0 GIADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000122227571 823324532 /nfs/dbraw/zinc/32/45/32/823324532.db2.gz KSYYKHDKLVBRHB-MRXNPFEDSA-N 1 2 383.879 4.433 20 0 GIADLO C[C@@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1ccc(Cl)cc1Cl ZINC000409852379 823326569 /nfs/dbraw/zinc/32/65/69/823326569.db2.gz FNIHLQLGJSHIOD-SNVBAGLBSA-N 1 2 376.280 4.387 20 0 GIADLO Clc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)o1 ZINC000015301087 818310039 /nfs/dbraw/zinc/31/00/39/818310039.db2.gz MEBJZTVGQBYPLO-KRWDZBQOSA-N 1 2 397.862 4.498 20 0 GIADLO Clc1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)o1 ZINC000015301087 818310045 /nfs/dbraw/zinc/31/00/45/818310045.db2.gz MEBJZTVGQBYPLO-KRWDZBQOSA-N 1 2 397.862 4.498 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc(OC)cc3OC)n2)cc1 ZINC000015367289 818317903 /nfs/dbraw/zinc/31/79/03/818317903.db2.gz DICXVQRIJQINLH-LJQANCHMSA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc(OC)cc3OC)n2)cc1 ZINC000015367289 818317908 /nfs/dbraw/zinc/31/79/08/818317908.db2.gz DICXVQRIJQINLH-LJQANCHMSA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc4c(c3)OCO4)cs2)cc1OC ZINC000015369941 818318494 /nfs/dbraw/zinc/31/84/94/818318494.db2.gz ZIFIGIPVUUVPIW-UHFFFAOYSA-N 1 2 398.484 4.188 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc4c(c3)OCO4)cs2)cc1OC ZINC000015369941 818318502 /nfs/dbraw/zinc/31/85/02/818318502.db2.gz ZIFIGIPVUUVPIW-UHFFFAOYSA-N 1 2 398.484 4.188 20 0 GIADLO Cc1sc(NC(=O)CCc2c[nH]c[nH+]2)nc1-c1ccc(OC(F)F)cc1 ZINC000188953324 823333081 /nfs/dbraw/zinc/33/30/81/823333081.db2.gz AETPIKSICQSSDW-UHFFFAOYSA-N 1 2 378.404 4.014 20 0 GIADLO Cc1sc(NC(=O)CCc2c[nH+]c[nH]2)nc1-c1ccc(OC(F)F)cc1 ZINC000188953324 823333088 /nfs/dbraw/zinc/33/30/88/823333088.db2.gz AETPIKSICQSSDW-UHFFFAOYSA-N 1 2 378.404 4.014 20 0 GIADLO O=C(Cc1ccccc1F)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000016003246 818383774 /nfs/dbraw/zinc/38/37/74/818383774.db2.gz OJFWTDXYDJSDJQ-UHFFFAOYSA-N 1 2 381.476 4.022 20 0 GIADLO O=C(Cc1ccccc1F)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000016003246 818383777 /nfs/dbraw/zinc/38/37/77/818383777.db2.gz OJFWTDXYDJSDJQ-UHFFFAOYSA-N 1 2 381.476 4.022 20 0 GIADLO COc1ccc(CN(C(=O)Nc2ccn3cc[nH+]c3c2)[C@H](C)C2CC2)c(OC)c1 ZINC000572414404 823335440 /nfs/dbraw/zinc/33/54/40/823335440.db2.gz VUMXSKMBPYAWBU-OAHLLOKOSA-N 1 2 394.475 4.184 20 0 GIADLO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000016373714 818429941 /nfs/dbraw/zinc/42/99/41/818429941.db2.gz SDCOCTICXPZJSY-UHFFFAOYSA-N 1 2 384.810 4.021 20 0 GIADLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000016373714 818429945 /nfs/dbraw/zinc/42/99/45/818429945.db2.gz SDCOCTICXPZJSY-UHFFFAOYSA-N 1 2 384.810 4.021 20 0 GIADLO O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016637761 818461911 /nfs/dbraw/zinc/46/19/11/818461911.db2.gz PFIBRNREXYEQEC-UHFFFAOYSA-N 1 2 383.904 4.426 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2ccc(C)o2)n1CC ZINC000460282198 823339219 /nfs/dbraw/zinc/33/92/19/823339219.db2.gz JDOFMATWQXFKGK-UHFFFAOYSA-N 1 2 394.523 4.004 20 0 GIADLO CSCc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017357734 818512116 /nfs/dbraw/zinc/51/21/16/818512116.db2.gz GCHOACUEAFVMPL-UHFFFAOYSA-N 1 2 380.513 4.254 20 0 GIADLO Cc1cn2cc(NC(=O)c3nn(-c4ccc(C)cc4F)c4c3CCC4)ccc2[nH+]1 ZINC000409913474 823342786 /nfs/dbraw/zinc/34/27/86/823342786.db2.gz UJNINROGNNTWJB-UHFFFAOYSA-N 1 2 389.434 4.017 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2C[C@H]2c2ccccc2F)C[C@H](C)O1 ZINC000572460465 823344401 /nfs/dbraw/zinc/34/44/01/823344401.db2.gz XQJDKVBNTCCVML-CHOVKTHHSA-N 1 2 397.494 4.113 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2C[C@H]2c2ccccc2F)C[C@H](C)O1 ZINC000572460465 823344403 /nfs/dbraw/zinc/34/44/03/823344403.db2.gz XQJDKVBNTCCVML-CHOVKTHHSA-N 1 2 397.494 4.113 20 0 GIADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000189041449 823346958 /nfs/dbraw/zinc/34/69/58/823346958.db2.gz HYIAUQIUAFFRTF-HNNXBMFYSA-N 1 2 383.398 4.110 20 0 GIADLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000189041449 823346966 /nfs/dbraw/zinc/34/69/66/823346966.db2.gz HYIAUQIUAFFRTF-HNNXBMFYSA-N 1 2 383.398 4.110 20 0 GIADLO Cc1ccccc1-n1cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)nn1 ZINC000572491338 823348927 /nfs/dbraw/zinc/34/89/27/823348927.db2.gz HGHASBVWVKLAGR-UHFFFAOYSA-N 1 2 383.293 4.117 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3cncc(Cl)c3)CC2)c(F)c1 ZINC000572493829 823349074 /nfs/dbraw/zinc/34/90/74/823349074.db2.gz BMQJBSCWFACGSG-CQSZACIVSA-N 1 2 391.874 4.053 20 0 GIADLO Cc1nn(C)c(=O)c(-c2nc(C[N@H+](Cc3ccco3)C3CCCC3)cs2)c1C ZINC000177034105 823355272 /nfs/dbraw/zinc/35/52/72/823355272.db2.gz JLFVXEJSYTYLJK-UHFFFAOYSA-N 1 2 398.532 4.058 20 0 GIADLO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+](Cc3ccco3)C3CCCC3)cs2)c1C ZINC000177034105 823355282 /nfs/dbraw/zinc/35/52/82/823355282.db2.gz JLFVXEJSYTYLJK-UHFFFAOYSA-N 1 2 398.532 4.058 20 0 GIADLO Cc1cc(N2CCN(Cc3ccc(Br)s3)CC2)nc(C(C)C)[nH+]1 ZINC000020668369 818628602 /nfs/dbraw/zinc/62/86/02/818628602.db2.gz BETNKRIJNRJMCH-UHFFFAOYSA-N 1 2 395.370 4.055 20 0 GIADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cccc(Cl)c1 ZINC000020944770 818642364 /nfs/dbraw/zinc/64/23/64/818642364.db2.gz HGNMQMNSYKFPJB-SFHVURJKSA-N 1 2 389.879 4.020 20 0 GIADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cccc(Cl)c1 ZINC000020944770 818642370 /nfs/dbraw/zinc/64/23/70/818642370.db2.gz HGNMQMNSYKFPJB-SFHVURJKSA-N 1 2 389.879 4.020 20 0 GIADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(Cl)cc1 ZINC000020944750 818642499 /nfs/dbraw/zinc/64/24/99/818642499.db2.gz OUQGMQSNLOSWGH-GOSISDBHSA-N 1 2 389.879 4.020 20 0 GIADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000020944750 818642504 /nfs/dbraw/zinc/64/25/04/818642504.db2.gz OUQGMQSNLOSWGH-GOSISDBHSA-N 1 2 389.879 4.020 20 0 GIADLO CCOc1ccc(-c2nc(C)c(C(=O)Nc3cccc4[nH+]ccn43)s2)cc1 ZINC000460329889 823355735 /nfs/dbraw/zinc/35/57/35/823355735.db2.gz DMLUIXWNHAHQIG-UHFFFAOYSA-N 1 2 378.457 4.417 20 0 GIADLO O=C(CCNc1ccccc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000058130849 823363921 /nfs/dbraw/zinc/36/39/21/823363921.db2.gz AQZACGDSLWUKIX-LJQANCHMSA-N 1 2 389.902 4.234 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)Cc3c(F)cccc3Cl)n2)CC1 ZINC000022324814 818793965 /nfs/dbraw/zinc/79/39/65/818793965.db2.gz RHYMVNXMPWENQN-UHFFFAOYSA-N 1 2 381.904 4.349 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(Cl)nc2Cl)C[C@H](C)O1 ZINC000122501972 823363995 /nfs/dbraw/zinc/36/39/95/823363995.db2.gz UXPNAYRVBPOQJR-STQMWFEESA-N 1 2 394.302 4.250 20 0 GIADLO O=C(C[NH+]1CCC([C@@H]2CCCO2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000189160253 823367818 /nfs/dbraw/zinc/36/78/18/823367818.db2.gz QPZXKQVODRISLG-INIZCTEOSA-N 1 2 391.726 4.476 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022788068 818860836 /nfs/dbraw/zinc/86/08/36/818860836.db2.gz KUKXAKZQUCUTSJ-AIADIJKESA-N 1 2 397.950 4.306 20 0 GIADLO Cc1ccc(-c2noc(CN3CC[NH+]([C@H](C)c4ccc(F)cc4)CC3)n2)cc1 ZINC000022823505 818864820 /nfs/dbraw/zinc/86/48/20/818864820.db2.gz DTXNIILMYHKXBH-QGZVFWFLSA-N 1 2 380.467 4.063 20 0 GIADLO CCCCN(CC)c1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000572624263 823370656 /nfs/dbraw/zinc/37/06/56/823370656.db2.gz AXKYIFBJZVQTKW-UHFFFAOYSA-N 1 2 377.492 4.205 20 0 GIADLO O=c1nc(C[NH+]2CCC([C@H]3CCCO3)CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000189180411 823371100 /nfs/dbraw/zinc/37/11/00/823371100.db2.gz JGRRBWBQRQWEPF-GOSISDBHSA-N 1 2 395.528 4.043 20 0 GIADLO Cc1cc(N)nc(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)[nH+]1 ZINC000023194236 818907043 /nfs/dbraw/zinc/90/70/43/818907043.db2.gz PHGNQKBHVMUUEV-VIFPVBQESA-N 1 2 381.383 4.289 20 0 GIADLO C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023375914 818929868 /nfs/dbraw/zinc/92/98/68/818929868.db2.gz QYOAUAHSKLOAKZ-KRWDZBQOSA-N 1 2 379.529 4.046 20 0 GIADLO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)Cc2cccc(Cl)c2Cl)c1 ZINC000023408477 818935515 /nfs/dbraw/zinc/93/55/15/818935515.db2.gz BYPVXNAPVPNMJZ-MRXNPFEDSA-N 1 2 382.287 4.068 20 0 GIADLO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)Cc2cccc(Cl)c2Cl)c1 ZINC000023408477 818935521 /nfs/dbraw/zinc/93/55/21/818935521.db2.gz BYPVXNAPVPNMJZ-MRXNPFEDSA-N 1 2 382.287 4.068 20 0 GIADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000189208611 823376233 /nfs/dbraw/zinc/37/62/33/823376233.db2.gz FHAXPDSCYPHQOR-UHFFFAOYSA-N 1 2 397.828 4.451 20 0 GIADLO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1csc(COc2ccccc2)n1)c1ccco1 ZINC000177124104 823377104 /nfs/dbraw/zinc/37/71/04/823377104.db2.gz MCBDHFSZPHYXEA-MJGOQNOKSA-N 1 2 384.501 4.403 20 0 GIADLO O[C@@H](C[C@H]1CCC[N@H+]1Cc1csc(COc2ccccc2)n1)c1ccco1 ZINC000177124104 823377112 /nfs/dbraw/zinc/37/71/12/823377112.db2.gz MCBDHFSZPHYXEA-MJGOQNOKSA-N 1 2 384.501 4.403 20 0 GIADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000572657078 823377103 /nfs/dbraw/zinc/37/71/03/823377103.db2.gz UIQROHQBHXTGOP-IFXJQAMLSA-N 1 2 398.308 4.008 20 0 GIADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000572657078 823377111 /nfs/dbraw/zinc/37/71/11/823377111.db2.gz UIQROHQBHXTGOP-IFXJQAMLSA-N 1 2 398.308 4.008 20 0 GIADLO O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050965 819016309 /nfs/dbraw/zinc/01/63/09/819016309.db2.gz VISRXMMGOMHFPA-UHFFFAOYSA-N 1 2 396.422 4.450 20 0 GIADLO C[C@H](CC(=O)NC1(c2noc(C3CCCC3)n2)CCCCCC1)n1cc[nH+]c1 ZINC000572726143 823389264 /nfs/dbraw/zinc/38/92/64/823389264.db2.gz LUNNBHNEXWHIEQ-MRXNPFEDSA-N 1 2 385.512 4.241 20 0 GIADLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H](c1ccccc1)c1ccccn1 ZINC000058433688 823391054 /nfs/dbraw/zinc/39/10/54/823391054.db2.gz QFYWMURDSGXBFW-HSZRJFAPSA-N 1 2 382.467 4.188 20 0 GIADLO CSc1ccccc1[C@@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000410112832 823395370 /nfs/dbraw/zinc/39/53/70/823395370.db2.gz JKZZJYVUDAGFNZ-QGZVFWFLSA-N 1 2 394.544 4.256 20 0 GIADLO CSc1ccccc1[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000410116269 823395840 /nfs/dbraw/zinc/39/58/40/823395840.db2.gz OVEMOSFXWKDKQU-MRXNPFEDSA-N 1 2 384.549 4.354 20 0 GIADLO CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000572806857 823402942 /nfs/dbraw/zinc/40/29/42/823402942.db2.gz ZBCFFBZQZMVFMU-SFHVURJKSA-N 1 2 377.488 4.092 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc4cnccc4c3)CC2)c1 ZINC000572835937 823407785 /nfs/dbraw/zinc/40/77/85/823407785.db2.gz NSPQHCFBIDQZPV-KRWDZBQOSA-N 1 2 390.487 4.154 20 0 GIADLO O=C(NCCCCOc1ccc(Cl)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410191389 823414864 /nfs/dbraw/zinc/41/48/64/823414864.db2.gz RTUBCTCIQXPNJO-UHFFFAOYSA-N 1 2 383.879 4.174 20 0 GIADLO COc1cc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c(OC)cc1Cl ZINC000058608470 823416318 /nfs/dbraw/zinc/41/63/18/823416318.db2.gz LXEAIHPHDDYWCP-UHFFFAOYSA-N 1 2 393.871 4.042 20 0 GIADLO Cn1c[nH+]cc1CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000572902537 823416785 /nfs/dbraw/zinc/41/67/85/823416785.db2.gz HBOGYCUGSPPJHR-IBGZPJMESA-N 1 2 379.426 4.419 20 0 GIADLO C[C@@H]1CCN(C(=O)CSc2cc(Cl)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000122814701 823417085 /nfs/dbraw/zinc/41/70/85/823417085.db2.gz VXIPKVWAOLHJTH-IUODEOHRSA-N 1 2 384.332 4.392 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000122816271 823417383 /nfs/dbraw/zinc/41/73/83/823417383.db2.gz UBNJLRAMWWNRJG-LAUBAEHRSA-N 1 2 393.462 4.325 20 0 GIADLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccccc1-c1ccc(Cl)cc1 ZINC000460533801 823422631 /nfs/dbraw/zinc/42/26/31/823422631.db2.gz YMDRUOWDBTXTGY-HNNXBMFYSA-N 1 2 380.879 4.490 20 0 GIADLO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000177291270 823423099 /nfs/dbraw/zinc/42/30/99/823423099.db2.gz JGEZZPGZACWBNY-UHFFFAOYSA-N 1 2 389.499 4.009 20 0 GIADLO O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000177291270 823423104 /nfs/dbraw/zinc/42/31/04/823423104.db2.gz JGEZZPGZACWBNY-UHFFFAOYSA-N 1 2 389.499 4.009 20 0 GIADLO Cc1ccc(-c2ncccc2NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000189481355 823427174 /nfs/dbraw/zinc/42/71/74/823427174.db2.gz HBIMQVUHDCVYGA-YOEHRIQHSA-N 1 2 381.505 4.430 20 0 GIADLO COc1cccc([C@@H](C)CC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000177306911 823428377 /nfs/dbraw/zinc/42/83/77/823428377.db2.gz XZOJVEANWGXGSK-SFHVURJKSA-N 1 2 395.547 4.040 20 0 GIADLO CCCOc1cccc(CC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000122905276 823431930 /nfs/dbraw/zinc/43/19/30/823431930.db2.gz QSPHMNJIXLYFRS-UHFFFAOYSA-N 1 2 395.547 4.178 20 0 GIADLO C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410250555 823434198 /nfs/dbraw/zinc/43/41/98/823434198.db2.gz FJABSFVLHZBAKC-JKSUJKDBSA-N 1 2 387.911 4.046 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(COc2ccccc2)cc1 ZINC000024747029 819872307 /nfs/dbraw/zinc/87/23/07/819872307.db2.gz IIWKNNLAHPBLCZ-UHFFFAOYSA-N 1 2 397.478 4.440 20 0 GIADLO COc1ccc(-c2nc(C[N@H+](C)Cc3cc(OC)c(OC)cc3C)co2)cc1 ZINC000024806853 819879748 /nfs/dbraw/zinc/87/97/48/819879748.db2.gz IQZRKRJIIYJXMN-UHFFFAOYSA-N 1 2 382.460 4.308 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+](C)Cc3cc(OC)c(OC)cc3C)co2)cc1 ZINC000024806853 819879762 /nfs/dbraw/zinc/87/97/62/819879762.db2.gz IQZRKRJIIYJXMN-UHFFFAOYSA-N 1 2 382.460 4.308 20 0 GIADLO CSCc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000024887277 819888777 /nfs/dbraw/zinc/88/87/77/819888777.db2.gz XHJWAABLJILWNZ-AWEZNQCLSA-N 1 2 375.563 4.490 20 0 GIADLO CSCc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000024887277 819888790 /nfs/dbraw/zinc/88/87/90/819888790.db2.gz XHJWAABLJILWNZ-AWEZNQCLSA-N 1 2 375.563 4.490 20 0 GIADLO Cc1ccc(S[C@H](C)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410259101 823437425 /nfs/dbraw/zinc/43/74/25/823437425.db2.gz AMJGFDOVCXHQTI-QZTJIDSGSA-N 1 2 383.561 4.415 20 0 GIADLO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000025056978 819917096 /nfs/dbraw/zinc/91/70/96/819917096.db2.gz NGKUBHHYWGYYTK-MRXNPFEDSA-N 1 2 382.529 4.330 20 0 GIADLO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[NH+]2CCC(C)(O)CC2)cc1 ZINC000177335105 823438047 /nfs/dbraw/zinc/43/80/47/823438047.db2.gz YGWXWYHFELAKGP-UHFFFAOYSA-N 1 2 388.895 4.226 20 0 GIADLO O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410261557 823438574 /nfs/dbraw/zinc/43/85/74/823438574.db2.gz YPYYJJLSUSKREP-HNNXBMFYSA-N 1 2 393.409 4.138 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](Cc2nc(-c3cccs3)oc2C)C2CC2)cc1 ZINC000025196340 819942233 /nfs/dbraw/zinc/94/22/33/819942233.db2.gz PSEGBYSJTYRUFL-UHFFFAOYSA-N 1 2 381.501 4.236 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](Cc2nc(-c3cccs3)oc2C)C2CC2)cc1 ZINC000025196340 819942235 /nfs/dbraw/zinc/94/22/35/819942235.db2.gz PSEGBYSJTYRUFL-UHFFFAOYSA-N 1 2 381.501 4.236 20 0 GIADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253128 819950394 /nfs/dbraw/zinc/95/03/94/819950394.db2.gz LMYLTLFBNXGMPO-LLVKDONJSA-N 1 2 388.336 4.322 20 0 GIADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253128 819950397 /nfs/dbraw/zinc/95/03/97/819950397.db2.gz LMYLTLFBNXGMPO-LLVKDONJSA-N 1 2 388.336 4.322 20 0 GIADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253156 819950483 /nfs/dbraw/zinc/95/04/83/819950483.db2.gz MKMSJCGSOUOKTJ-LLVKDONJSA-N 1 2 388.336 4.322 20 0 GIADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253156 819950488 /nfs/dbraw/zinc/95/04/88/819950488.db2.gz MKMSJCGSOUOKTJ-LLVKDONJSA-N 1 2 388.336 4.322 20 0 GIADLO COc1ccccc1CC(C)(C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410268112 823441751 /nfs/dbraw/zinc/44/17/51/823441751.db2.gz JPRMETCDHNMBOM-LJQANCHMSA-N 1 2 395.547 4.203 20 0 GIADLO O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410269193 823442339 /nfs/dbraw/zinc/44/23/39/823442339.db2.gz CRSMBQWFZVJOKN-CYBMUJFWSA-N 1 2 395.400 4.397 20 0 GIADLO O=C(c1cccc([C@H]2CCCOC2)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410268753 823442359 /nfs/dbraw/zinc/44/23/59/823442359.db2.gz LYBCGRMPVJKGDF-SFTDATJTSA-N 1 2 393.531 4.133 20 0 GIADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)Nc1ccc(Br)cc1 ZINC000025415789 819977254 /nfs/dbraw/zinc/97/72/54/819977254.db2.gz MGCXZYFFEHNGRB-HXUWFJFHSA-N 1 2 396.288 4.162 20 0 GIADLO Cc1cc(OC(F)F)c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000410271500 823443279 /nfs/dbraw/zinc/44/32/79/823443279.db2.gz VTAHLEZYFRGEMI-CYBMUJFWSA-N 1 2 395.475 4.211 20 0 GIADLO C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)n1cc[nH+]c1 ZINC000573095144 823446695 /nfs/dbraw/zinc/44/66/95/823446695.db2.gz YDRDNIZDLRQLNB-VIFPVBQESA-N 1 2 378.206 4.059 20 0 GIADLO COC[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1cccc(Cl)c1F ZINC000573102232 823448125 /nfs/dbraw/zinc/44/81/25/823448125.db2.gz LFXIRIPZDOOPRO-AWEZNQCLSA-N 1 2 392.780 4.293 20 0 GIADLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000026208286 820069080 /nfs/dbraw/zinc/06/90/80/820069080.db2.gz JIMSEQCTBIXEMR-UHFFFAOYSA-N 1 2 388.467 4.211 20 0 GIADLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000026208286 820069089 /nfs/dbraw/zinc/06/90/89/820069089.db2.gz JIMSEQCTBIXEMR-UHFFFAOYSA-N 1 2 388.467 4.211 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc(Cl)sc1Cl ZINC000026216336 820070467 /nfs/dbraw/zinc/07/04/67/820070467.db2.gz YWNAWIHSOSWNOE-UHFFFAOYSA-N 1 2 380.300 4.272 20 0 GIADLO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000177382237 823450274 /nfs/dbraw/zinc/45/02/74/823450274.db2.gz SAKGWDRSQGMYET-CQSZACIVSA-N 1 2 392.849 4.434 20 0 GIADLO CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000177382237 823450275 /nfs/dbraw/zinc/45/02/75/823450275.db2.gz SAKGWDRSQGMYET-CQSZACIVSA-N 1 2 392.849 4.434 20 0 GIADLO Cc1c2ccccc2[nH+]c(NC2CCC([NH+]3CCC(C)CC3)CC2)c1C(=O)[O-] ZINC000573124260 823450558 /nfs/dbraw/zinc/45/05/58/823450558.db2.gz XLHAXUXZJVGCBH-UHFFFAOYSA-N 1 2 381.520 4.118 20 0 GIADLO O=C(CSc1ccc(Cl)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410288934 823450802 /nfs/dbraw/zinc/45/08/02/823450802.db2.gz HRVNERBTIYRTBC-OAHLLOKOSA-N 1 2 389.952 4.371 20 0 GIADLO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026303428 820079995 /nfs/dbraw/zinc/07/99/95/820079995.db2.gz YDFJYUUDKGADHG-UHFFFAOYSA-N 1 2 392.425 4.042 20 0 GIADLO COc1cc2cc[nH+]c(N(C)Cc3nccn3Cc3ccccc3)c2cc1F ZINC000573130539 823451538 /nfs/dbraw/zinc/45/15/38/823451538.db2.gz HLVHJNVSKXQNJL-UHFFFAOYSA-N 1 2 376.435 4.264 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(SC)c2)cc1OC(F)F ZINC000026452503 820099061 /nfs/dbraw/zinc/09/90/61/820099061.db2.gz KKEVVWUWAPNBMR-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(SC)c2)cc1OC(F)F ZINC000026452503 820099072 /nfs/dbraw/zinc/09/90/72/820099072.db2.gz KKEVVWUWAPNBMR-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO O=C(N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1(c2ccc(F)cc2F)CCC1 ZINC000410293871 823452640 /nfs/dbraw/zinc/45/26/40/823452640.db2.gz XRHUNGXTSBZWAO-INIZCTEOSA-N 1 2 399.485 4.326 20 0 GIADLO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3CC(=O)c3cccs3)n2)cc1 ZINC000177399916 823453982 /nfs/dbraw/zinc/45/39/82/823453982.db2.gz WIYIQNPMENFUHV-INIZCTEOSA-N 1 2 397.500 4.434 20 0 GIADLO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@H]3CC(=O)c3cccs3)n2)cc1 ZINC000177399916 823453983 /nfs/dbraw/zinc/45/39/83/823453983.db2.gz WIYIQNPMENFUHV-INIZCTEOSA-N 1 2 397.500 4.434 20 0 GIADLO COc1cc(-c2nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c(=S)o2)cc(OC)c1OC ZINC000026629574 820125515 /nfs/dbraw/zinc/12/55/15/820125515.db2.gz LKDRYLXFJMWLIW-LBPRGKRZSA-N 1 2 395.525 4.222 20 0 GIADLO COc1cc(-c2nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(=S)o2)cc(OC)c1OC ZINC000026629574 820125522 /nfs/dbraw/zinc/12/55/22/820125522.db2.gz LKDRYLXFJMWLIW-LBPRGKRZSA-N 1 2 395.525 4.222 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N3c4ccccc4C[C@H]3C)CC2)c(C)c1 ZINC000026638764 820125574 /nfs/dbraw/zinc/12/55/74/820125574.db2.gz UDBFIMCHBSABKA-LJQANCHMSA-N 1 2 390.527 4.176 20 0 GIADLO COc1ccc2cc(/C=C/C(=O)N3CC[NH+](Cc4cccs4)CC3)ccc2c1 ZINC000026904903 820161173 /nfs/dbraw/zinc/16/11/73/820161173.db2.gz FLBBBFDDWFASQC-WEVVVXLNSA-N 1 2 392.524 4.268 20 0 GIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccccc2OC2CC2)c(C)c1 ZINC000573162757 823457573 /nfs/dbraw/zinc/45/75/73/823457573.db2.gz QQMCTPIFCWRPLL-OAQYLSRUSA-N 1 2 375.472 4.212 20 0 GIADLO C[C@H](Oc1ccccc1Cl)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410311467 823459684 /nfs/dbraw/zinc/45/96/84/823459684.db2.gz WXRDCQCPHDFVME-INIZCTEOSA-N 1 2 387.911 4.199 20 0 GIADLO Cc1ccc(CSCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410307543 823458486 /nfs/dbraw/zinc/45/84/86/823458486.db2.gz LRICIFNGZPRAKM-LJQANCHMSA-N 1 2 383.561 4.167 20 0 GIADLO COc1ccc(-c2nnc(C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)o2)cc1 ZINC000027351644 820229078 /nfs/dbraw/zinc/22/90/78/820229078.db2.gz ZTUKBQJZSKDJGV-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO COc1ccc(-c2nnc(C[N@@H+](C)Cc3ccc(C(F)(F)F)cc3)o2)cc1 ZINC000027351644 820229084 /nfs/dbraw/zinc/22/90/84/820229084.db2.gz ZTUKBQJZSKDJGV-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO COc1ccc(-c2nnc(C[N@H+](C)Cc3ccc(Br)cc3)o2)cc1 ZINC000027350131 820229311 /nfs/dbraw/zinc/22/93/11/820229311.db2.gz IIMSFCZSTFVLFM-UHFFFAOYSA-N 1 2 388.265 4.140 20 0 GIADLO COc1ccc(-c2nnc(C[N@@H+](C)Cc3ccc(Br)cc3)o2)cc1 ZINC000027350131 820229319 /nfs/dbraw/zinc/22/93/19/820229319.db2.gz IIMSFCZSTFVLFM-UHFFFAOYSA-N 1 2 388.265 4.140 20 0 GIADLO C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000027354827 820230254 /nfs/dbraw/zinc/23/02/54/820230254.db2.gz ZIFZYQVCUAATGR-QHCPKHFHSA-N 1 2 388.467 4.270 20 0 GIADLO C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000027354827 820230258 /nfs/dbraw/zinc/23/02/58/820230258.db2.gz ZIFZYQVCUAATGR-QHCPKHFHSA-N 1 2 388.467 4.270 20 0 GIADLO COc1ccc(C2(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CCCC2)cc1 ZINC000058859528 823463056 /nfs/dbraw/zinc/46/30/56/823463056.db2.gz QMVNDFKYSWYGFK-UHFFFAOYSA-N 1 2 393.462 4.148 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123109772 823463564 /nfs/dbraw/zinc/46/35/64/823463564.db2.gz IYXINMUDXDKTRH-AVRDEDQJSA-N 1 2 375.472 4.185 20 0 GIADLO Cc1cc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)on1 ZINC000027425478 820242956 /nfs/dbraw/zinc/24/29/56/820242956.db2.gz LCOYYRZXWMXPRY-UHFFFAOYSA-N 1 2 389.912 4.105 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000027536532 820257068 /nfs/dbraw/zinc/25/70/68/820257068.db2.gz MGEVQUOKDMRROC-HNNXBMFYSA-N 1 2 392.330 4.138 20 0 GIADLO COc1ccc(OC)c(C[N@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C2CC2)c1 ZINC000027605137 820266027 /nfs/dbraw/zinc/26/60/27/820266027.db2.gz WQOYGYZZZVPBON-XMMPIXPASA-N 1 2 396.531 4.182 20 0 GIADLO COc1ccc(OC)c(C[N@@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C2CC2)c1 ZINC000027605137 820266039 /nfs/dbraw/zinc/26/60/39/820266039.db2.gz WQOYGYZZZVPBON-XMMPIXPASA-N 1 2 396.531 4.182 20 0 GIADLO CC(C)c1ccc(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000027683903 820275291 /nfs/dbraw/zinc/27/52/91/820275291.db2.gz RPOGXQFRMNGXKU-UHFFFAOYSA-N 1 2 384.545 4.373 20 0 GIADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000573218747 823467123 /nfs/dbraw/zinc/46/71/23/823467123.db2.gz NPNQOBSGSAFPJC-HNNXBMFYSA-N 1 2 393.453 4.479 20 0 GIADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000573218747 823467125 /nfs/dbraw/zinc/46/71/25/823467125.db2.gz NPNQOBSGSAFPJC-HNNXBMFYSA-N 1 2 393.453 4.479 20 0 GIADLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)c1 ZINC000027881869 820293441 /nfs/dbraw/zinc/29/34/41/820293441.db2.gz OILOBMVMFSVPAJ-OALUTQOASA-N 1 2 391.515 4.129 20 0 GIADLO O=C(c1ccccc1COc1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000027999660 820303873 /nfs/dbraw/zinc/30/38/73/820303873.db2.gz VZZQUPULWLDVDC-UHFFFAOYSA-N 1 2 392.524 4.285 20 0 GIADLO Cc1cc(C(C)(C)C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1Br ZINC000573255838 823471452 /nfs/dbraw/zinc/47/14/52/823471452.db2.gz MWMJOPMCSMBQFQ-UHFFFAOYSA-N 1 2 390.325 4.095 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(F)cc(C(F)(F)F)cc2F)c1C ZINC000573255873 823471515 /nfs/dbraw/zinc/47/15/15/823471515.db2.gz OIFVATJOBQNYHK-UHFFFAOYSA-N 1 2 388.336 4.276 20 0 GIADLO COc1ccc(Cl)cc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000028681950 820350132 /nfs/dbraw/zinc/35/01/32/820350132.db2.gz KTHPIEUUGBCDSE-LBPRGKRZSA-N 1 2 379.913 4.289 20 0 GIADLO COc1ccc(Cl)cc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000028681950 820350142 /nfs/dbraw/zinc/35/01/42/820350142.db2.gz KTHPIEUUGBCDSE-LBPRGKRZSA-N 1 2 379.913 4.289 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc(OC(F)F)cc3)n2)C1 ZINC000028684186 820350474 /nfs/dbraw/zinc/35/04/74/820350474.db2.gz ANYATYJKNJGEDO-ZDUSSCGKSA-N 1 2 395.475 4.158 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc(OC(F)F)cc3)n2)C1 ZINC000028684186 820350486 /nfs/dbraw/zinc/35/04/86/820350486.db2.gz ANYATYJKNJGEDO-ZDUSSCGKSA-N 1 2 395.475 4.158 20 0 GIADLO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1cc(F)cc(F)c1 ZINC000028966807 820378362 /nfs/dbraw/zinc/37/83/62/820378362.db2.gz UPFDJIMNIBZLHI-UHFFFAOYSA-N 1 2 387.455 4.393 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCOc2cccc(Cl)c2Cl)c1C ZINC000058956702 823475610 /nfs/dbraw/zinc/47/56/10/823475610.db2.gz QSWMLHISDSVPCB-UHFFFAOYSA-N 1 2 397.302 4.441 20 0 GIADLO O=C(Cn1c2ccccc2nc1SC(F)F)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029277646 820426471 /nfs/dbraw/zinc/42/64/71/820426471.db2.gz NJLPUVXMIUEBNO-UHFFFAOYSA-N 1 2 399.426 4.175 20 0 GIADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000573327807 823480422 /nfs/dbraw/zinc/48/04/22/823480422.db2.gz WANRGNKTQSKWNY-ATZDWAIDSA-N 1 2 391.437 4.259 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189713352 823480800 /nfs/dbraw/zinc/48/08/00/823480800.db2.gz RTALKOKQSLGSAH-GOTSBHOMSA-N 1 2 388.515 4.142 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000123229909 823481987 /nfs/dbraw/zinc/48/19/87/823481987.db2.gz KMMXPCIXNWCGPQ-INIZCTEOSA-N 1 2 387.474 4.228 20 0 GIADLO Cc1ccc(C)c(NC(=O)CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1 ZINC000029684661 820497193 /nfs/dbraw/zinc/49/71/93/820497193.db2.gz VPMPBSKULRBYGB-SFHVURJKSA-N 1 2 385.939 4.274 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cncc(Br)c2)c1 ZINC000029705438 820501600 /nfs/dbraw/zinc/50/16/00/820501600.db2.gz LHCLDOMKMVJXLF-KRWDZBQOSA-N 1 2 377.282 4.198 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cncc(Br)c2)c1 ZINC000029705438 820501607 /nfs/dbraw/zinc/50/16/07/820501607.db2.gz LHCLDOMKMVJXLF-KRWDZBQOSA-N 1 2 377.282 4.198 20 0 GIADLO CSCC[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1nnc2ccccn21 ZINC000123255888 823486249 /nfs/dbraw/zinc/48/62/49/823486249.db2.gz YTOOGKWQWXIRNV-CQSZACIVSA-N 1 2 398.504 4.362 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1=Cc2cc(Br)ccc2OC1 ZINC000029911514 820546883 /nfs/dbraw/zinc/54/68/83/820546883.db2.gz VQUQZWXDQNXJJW-UHFFFAOYSA-N 1 2 396.244 4.049 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(-c3ncco3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189753328 823488276 /nfs/dbraw/zinc/48/82/76/823488276.db2.gz YJRMTYHWWQDWGQ-OALUTQOASA-N 1 2 398.413 4.187 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(-c3ncco3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189753328 823488281 /nfs/dbraw/zinc/48/82/81/823488281.db2.gz YJRMTYHWWQDWGQ-OALUTQOASA-N 1 2 398.413 4.187 20 0 GIADLO Cc1cc(Br)c(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000573468505 823493698 /nfs/dbraw/zinc/49/36/98/823493698.db2.gz FIPBSZRAQAIACA-UHFFFAOYSA-N 1 2 396.716 4.216 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1csc(-c2ccc(F)cc2)n1 ZINC000030584700 820645949 /nfs/dbraw/zinc/64/59/49/820645949.db2.gz OYKOXZUDFKUTHX-UHFFFAOYSA-N 1 2 392.459 4.124 20 0 GIADLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)cc1 ZINC000059407621 823495608 /nfs/dbraw/zinc/49/56/08/823495608.db2.gz JJRYRBCQYYDFLA-SFHVURJKSA-N 1 2 389.293 4.233 20 0 GIADLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)cc1 ZINC000059407621 823495610 /nfs/dbraw/zinc/49/56/10/823495610.db2.gz JJRYRBCQYYDFLA-SFHVURJKSA-N 1 2 389.293 4.233 20 0 GIADLO CC[N@H+](Cc1csc(CC(=O)NC)n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000177581820 823495761 /nfs/dbraw/zinc/49/57/61/823495761.db2.gz HJNBTXSIEHJIDU-GFCCVEGCSA-N 1 2 385.455 4.034 20 0 GIADLO CC[N@@H+](Cc1csc(CC(=O)NC)n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000177581820 823495763 /nfs/dbraw/zinc/49/57/63/823495763.db2.gz HJNBTXSIEHJIDU-GFCCVEGCSA-N 1 2 385.455 4.034 20 0 GIADLO CC(C)(C)c1ccc(CCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000030657265 820659715 /nfs/dbraw/zinc/65/97/15/820659715.db2.gz PRYFHEQOVOFLHW-UHFFFAOYSA-N 1 2 375.516 4.478 20 0 GIADLO O=C(COc1ccccc1C(F)(F)F)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000059421870 823496174 /nfs/dbraw/zinc/49/61/74/823496174.db2.gz MBDIQVSDJIQTPA-UHFFFAOYSA-N 1 2 379.313 4.048 20 0 GIADLO Cc1cccc2nc(C3CC[NH+](CC(=O)Nc4ccc(Cl)cn4)CC3)oc21 ZINC000189802246 823497155 /nfs/dbraw/zinc/49/71/55/823497155.db2.gz SJAYFJOZHDWRGC-UHFFFAOYSA-N 1 2 384.867 4.003 20 0 GIADLO c1cc(-c2nc3ccccc3s2)oc1C[NH2+]Cc1nncn1-c1ccccc1 ZINC000030908203 820706887 /nfs/dbraw/zinc/70/68/87/820706887.db2.gz FBRHJKCXVIHGNG-UHFFFAOYSA-N 1 2 387.468 4.427 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCCOc3ccccc3F)n2)C1 ZINC000059877467 823501080 /nfs/dbraw/zinc/50/10/80/823501080.db2.gz WANXTKLGSCAFDY-HNNXBMFYSA-N 1 2 391.512 4.312 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCOc3ccccc3F)n2)C1 ZINC000059877467 823501082 /nfs/dbraw/zinc/50/10/82/823501082.db2.gz WANXTKLGSCAFDY-HNNXBMFYSA-N 1 2 391.512 4.312 20 0 GIADLO COc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(C)c1 ZINC000460740368 823501233 /nfs/dbraw/zinc/50/12/33/823501233.db2.gz XZEOATGCHAZVKC-LJQANCHMSA-N 1 2 390.886 4.363 20 0 GIADLO C[C@@H]1CCN(C(=O)CCc2cccc(OC3CCCC3)c2)C[C@H]1n1cc[nH+]c1 ZINC000123361386 823501424 /nfs/dbraw/zinc/50/14/24/823501424.db2.gz CGDBEQCIDWRIMR-XMSQKQJNSA-N 1 2 381.520 4.247 20 0 GIADLO C[C@H]1CCN(C(=O)CCc2cccc(OC3CCCC3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123361155 823501442 /nfs/dbraw/zinc/50/14/42/823501442.db2.gz CGDBEQCIDWRIMR-AVRDEDQJSA-N 1 2 381.520 4.247 20 0 GIADLO Cc1cccc2nc(C3CC[NH+]([C@@H](C)C(=O)Nc4cccnc4Cl)CC3)oc21 ZINC000189818930 823501597 /nfs/dbraw/zinc/50/15/97/823501597.db2.gz QVOGNNWLRNCJSF-AWEZNQCLSA-N 1 2 398.894 4.391 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2c[nH]c3cccc(F)c23)C[C@H](C)O1 ZINC000123365916 823502024 /nfs/dbraw/zinc/50/20/24/823502024.db2.gz UUMOONSXILQIMU-GJZGRUSLSA-N 1 2 381.451 4.169 20 0 GIADLO C=C(Br)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000059926440 823502804 /nfs/dbraw/zinc/50/28/04/823502804.db2.gz CMNXNTFTHVGUDK-UHFFFAOYSA-N 1 2 393.354 4.254 20 0 GIADLO CCCC1CCC([N@H+](C)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 ZINC000189905940 823512302 /nfs/dbraw/zinc/51/23/02/823512302.db2.gz KOJBILCGONIZOT-UHFFFAOYSA-N 1 2 384.480 4.067 20 0 GIADLO CCCC1CCC([N@@H+](C)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CC1 ZINC000189905940 823512308 /nfs/dbraw/zinc/51/23/08/823512308.db2.gz KOJBILCGONIZOT-UHFFFAOYSA-N 1 2 384.480 4.067 20 0 GIADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000031897501 820872243 /nfs/dbraw/zinc/87/22/43/820872243.db2.gz HRUGEMXYJMJKGL-QGZVFWFLSA-N 1 2 382.813 4.324 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(OC2CCCC2)cc1 ZINC000032313605 820913527 /nfs/dbraw/zinc/91/35/27/820913527.db2.gz WSGIOZYXARLXLR-UHFFFAOYSA-N 1 2 375.472 4.183 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000177729305 823517897 /nfs/dbraw/zinc/51/78/97/823517897.db2.gz ZFLJFNUMZVGLGZ-QWVSSGJLSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000177729305 823517898 /nfs/dbraw/zinc/51/78/98/823517898.db2.gz ZFLJFNUMZVGLGZ-QWVSSGJLSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000177729338 823517910 /nfs/dbraw/zinc/51/79/10/823517910.db2.gz ZFLJFNUMZVGLGZ-PFUSGODGSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000177729338 823517911 /nfs/dbraw/zinc/51/79/11/823517911.db2.gz ZFLJFNUMZVGLGZ-PFUSGODGSA-N 1 2 398.450 4.074 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000032753099 821003206 /nfs/dbraw/zinc/00/32/06/821003206.db2.gz AHUKRVKJHUBJAL-MRXNPFEDSA-N 1 2 387.483 4.487 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000032753099 821003213 /nfs/dbraw/zinc/00/32/13/821003213.db2.gz AHUKRVKJHUBJAL-MRXNPFEDSA-N 1 2 387.483 4.487 20 0 GIADLO COc1ccc(-c2nc(CN3CC[NH+](Cc4ccccc4F)CC3)cs2)cc1 ZINC000032775246 821006790 /nfs/dbraw/zinc/00/67/90/821006790.db2.gz UIBYKUYBENLOQT-UHFFFAOYSA-N 1 2 397.519 4.276 20 0 GIADLO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000032941277 821020984 /nfs/dbraw/zinc/02/09/84/821020984.db2.gz WAMZZBIBICNWLV-HXUWFJFHSA-N 1 2 391.540 4.171 20 0 GIADLO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000032941277 821020994 /nfs/dbraw/zinc/02/09/94/821020994.db2.gz WAMZZBIBICNWLV-HXUWFJFHSA-N 1 2 391.540 4.171 20 0 GIADLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000177765390 823522835 /nfs/dbraw/zinc/52/28/35/823522835.db2.gz SXYRSWFSPRCDIN-FNIAAEIWSA-N 1 2 385.552 4.481 20 0 GIADLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000177765390 823522839 /nfs/dbraw/zinc/52/28/39/823522839.db2.gz SXYRSWFSPRCDIN-FNIAAEIWSA-N 1 2 385.552 4.481 20 0 GIADLO C[C@@H]1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)C[C@H]1n1cc[nH+]c1 ZINC000123631236 823527725 /nfs/dbraw/zinc/52/77/25/823527725.db2.gz WYKNDLRTYKMBGG-CXAGYDPISA-N 1 2 386.908 4.383 20 0 GIADLO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000033240913 821053739 /nfs/dbraw/zinc/05/37/39/821053739.db2.gz LJLPHXYXUGASTI-MRXNPFEDSA-N 1 2 399.560 4.270 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000123640357 823528269 /nfs/dbraw/zinc/52/82/69/823528269.db2.gz QQUUNANBLRFZJG-UHFFFAOYSA-N 1 2 382.439 4.155 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C)cc1 ZINC000060442304 823528353 /nfs/dbraw/zinc/52/83/53/823528353.db2.gz FFHFXRNCOMAMMN-UHFFFAOYSA-N 1 2 377.488 4.323 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cccc(OC)c1 ZINC000060442322 823528506 /nfs/dbraw/zinc/52/85/06/823528506.db2.gz UDTFRANALLIIJY-UHFFFAOYSA-N 1 2 393.487 4.023 20 0 GIADLO Cc1cc(C)c(NC(=O)c2cccc(I)c2C)c(C)[nH+]1 ZINC000177811124 823528887 /nfs/dbraw/zinc/52/88/87/823528887.db2.gz TVFXBVBQHLZQHW-UHFFFAOYSA-N 1 2 380.229 4.172 20 0 GIADLO O=C(Cc1ccc(F)cc1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000036099799 821068866 /nfs/dbraw/zinc/06/88/66/821068866.db2.gz RGGZLBPIEQAITN-SFHVURJKSA-N 1 2 378.850 4.114 20 0 GIADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000036099834 821069153 /nfs/dbraw/zinc/06/91/53/821069153.db2.gz OSEQYLOFPVMZMV-KRWDZBQOSA-N 1 2 382.813 4.324 20 0 GIADLO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000038279351 821095045 /nfs/dbraw/zinc/09/50/45/821095045.db2.gz HFXQPNIVJMEOCZ-UHFFFAOYSA-N 1 2 380.879 4.238 20 0 GIADLO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177781061 823525670 /nfs/dbraw/zinc/52/56/70/823525670.db2.gz HWCWMEYLEVDAIM-WIYYLYMNSA-N 1 2 375.472 4.009 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(Br)cc1Cl ZINC000177786888 823526293 /nfs/dbraw/zinc/52/62/93/823526293.db2.gz WSVLCYZWDXQJBL-UHFFFAOYSA-N 1 2 379.645 4.072 20 0 GIADLO Cn1ccc2cccc(NC(=O)N[C@@H]3c4ccccc4CC[C@H]3n3cc[nH+]c3)c21 ZINC000190059043 823532119 /nfs/dbraw/zinc/53/21/19/823532119.db2.gz YSYNWZATILKHQI-NHCUHLMSSA-N 1 2 385.471 4.425 20 0 GIADLO CCCn1c(C)cc(C(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000060486483 823533553 /nfs/dbraw/zinc/53/35/53/823533553.db2.gz LSWXPUICFWTJIO-DHZHZOJOSA-N 1 2 379.548 4.029 20 0 GIADLO COCCc1noc(C[NH+]2CCC(Cc3cc(Cl)ccc3Cl)CC2)n1 ZINC000177862876 823538179 /nfs/dbraw/zinc/53/81/79/823538179.db2.gz XYVGSZBKYXCZIS-UHFFFAOYSA-N 1 2 384.307 4.020 20 0 GIADLO Cc1cc(C)c(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c(C)c1 ZINC000060549312 823541102 /nfs/dbraw/zinc/54/11/02/823541102.db2.gz XMKZEQPGPFSXNZ-UHFFFAOYSA-N 1 2 376.460 4.089 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000060550250 823541317 /nfs/dbraw/zinc/54/13/17/823541317.db2.gz RTQHERYVKYJPHO-UHFFFAOYSA-N 1 2 382.851 4.126 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C2CC2)o1 ZINC000042145825 821274592 /nfs/dbraw/zinc/27/45/92/821274592.db2.gz FAIQKRQDORDRLX-UIAACRFSSA-N 1 2 380.488 4.007 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C2CC2)o1 ZINC000042145825 821274600 /nfs/dbraw/zinc/27/46/00/821274600.db2.gz FAIQKRQDORDRLX-UIAACRFSSA-N 1 2 380.488 4.007 20 0 GIADLO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042206641 821284003 /nfs/dbraw/zinc/28/40/03/821284003.db2.gz XBMSIIJUAYSIEN-ZDUSSCGKSA-N 1 2 396.343 4.218 20 0 GIADLO CSc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000042287531 821295373 /nfs/dbraw/zinc/29/53/73/821295373.db2.gz FAOHPVOLFGEGFW-MBNRZODZSA-N 1 2 395.572 4.067 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H]3CCCc4ccccc43)cn2c1 ZINC000042404690 821307749 /nfs/dbraw/zinc/30/77/49/821307749.db2.gz LYYOIHVMMKSWCX-HXUWFJFHSA-N 1 2 379.529 4.412 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C)cc3)CC2)c(OC)c1 ZINC000042539829 821310557 /nfs/dbraw/zinc/31/05/57/821310557.db2.gz RHCLVPRFASHAIN-KRWDZBQOSA-N 1 2 380.488 4.129 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C)cc3)CC2)c(OC)c1 ZINC000042539829 821310566 /nfs/dbraw/zinc/31/05/66/821310566.db2.gz RHCLVPRFASHAIN-KRWDZBQOSA-N 1 2 380.488 4.129 20 0 GIADLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000042575266 821312795 /nfs/dbraw/zinc/31/27/95/821312795.db2.gz UPFCPTVOVIJAFS-KRWDZBQOSA-N 1 2 394.515 4.180 20 0 GIADLO O=C(NC1CCCC1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000042822871 821336012 /nfs/dbraw/zinc/33/60/12/821336012.db2.gz WWUIVSWKKCGSFY-UHFFFAOYSA-N 1 2 378.879 4.220 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C)c1nc(-c2ccc(OC)cc2)no1)c1ccc2c(c1)OCCO2 ZINC000180633306 821376115 /nfs/dbraw/zinc/37/61/15/821376115.db2.gz PRQGAEKSPDRLQH-KBXCAEBGSA-N 1 2 395.459 4.318 20 0 GIADLO COc1ccc(O[C@@H](C)C[NH2+][C@H](c2nccn2C)c2ccccc2Cl)cc1 ZINC000180648975 821381908 /nfs/dbraw/zinc/38/19/08/821381908.db2.gz DVFCNAXDHAVRFY-YWZLYKJASA-N 1 2 385.895 4.229 20 0 GIADLO COC(=O)CC[C@H]([NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000180670034 821389203 /nfs/dbraw/zinc/38/92/03/821389203.db2.gz ZILNCVPMORKYIK-QRWLVFNGSA-N 1 2 396.466 4.060 20 0 GIADLO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000180670089 821389728 /nfs/dbraw/zinc/38/97/28/821389728.db2.gz ZILNCVPMORKYIK-MGPUTAFESA-N 1 2 396.466 4.060 20 0 GIADLO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F)c1ccccc1 ZINC000180712073 821410787 /nfs/dbraw/zinc/41/07/87/821410787.db2.gz GQYFGWYNAWUBIK-ISKFKSNPSA-N 1 2 392.474 4.212 20 0 GIADLO O[C@H](C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccncc2)cc1F)c1ccccc1 ZINC000180712073 821410789 /nfs/dbraw/zinc/41/07/89/821410789.db2.gz GQYFGWYNAWUBIK-ISKFKSNPSA-N 1 2 392.474 4.212 20 0 GIADLO COCCCOCC[N@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000180722212 821417657 /nfs/dbraw/zinc/41/76/57/821417657.db2.gz WKMISKDVZYTVBO-UHFFFAOYSA-N 1 2 399.354 4.058 20 0 GIADLO COCCCOCC[N@@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000180722212 821417663 /nfs/dbraw/zinc/41/76/63/821417663.db2.gz WKMISKDVZYTVBO-UHFFFAOYSA-N 1 2 399.354 4.058 20 0 GIADLO Cc1cc([C@H]2CCCN2C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)no1 ZINC000043546306 821423767 /nfs/dbraw/zinc/42/37/67/821423767.db2.gz VELDIESNMJAFLE-SUMWQHHRSA-N 1 2 389.525 4.040 20 0 GIADLO Cc1cc([C@H]2CCCN2C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)no1 ZINC000043546306 821423775 /nfs/dbraw/zinc/42/37/75/821423775.db2.gz VELDIESNMJAFLE-SUMWQHHRSA-N 1 2 389.525 4.040 20 0 GIADLO COc1cccc(CN(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000043547441 821424700 /nfs/dbraw/zinc/42/47/00/821424700.db2.gz WPQNRGCJMKWZOP-OAHLLOKOSA-N 1 2 388.537 4.048 20 0 GIADLO COc1cccc(CN(C)C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000043547441 821424701 /nfs/dbraw/zinc/42/47/01/821424701.db2.gz WPQNRGCJMKWZOP-OAHLLOKOSA-N 1 2 388.537 4.048 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@H](C(F)(F)F)C3)n2)C1 ZINC000043547418 821424742 /nfs/dbraw/zinc/42/47/42/821424742.db2.gz IIKZYYGTYZEBBT-STQMWFEESA-N 1 2 390.475 4.181 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@H](C(F)(F)F)C3)n2)C1 ZINC000043547418 821424746 /nfs/dbraw/zinc/42/47/46/821424746.db2.gz IIKZYYGTYZEBBT-STQMWFEESA-N 1 2 390.475 4.181 20 0 GIADLO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CC[NH+](Cc2cccs2)CC1 ZINC000043548952 821425183 /nfs/dbraw/zinc/42/51/83/821425183.db2.gz IAYAJSFPYRILNC-UHFFFAOYSA-N 1 2 399.516 4.139 20 0 GIADLO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043549655 821425953 /nfs/dbraw/zinc/42/59/53/821425953.db2.gz ZIONWFLDXFGBQP-UHFFFAOYSA-N 1 2 399.516 4.139 20 0 GIADLO COc1ccc(-c2nnc(C[N@H+](C)Cc3ccccc3C(F)(F)F)o2)cc1 ZINC000043644178 821435040 /nfs/dbraw/zinc/43/50/40/821435040.db2.gz RGKPXZFLUVOJRR-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO COc1ccc(-c2nnc(C[N@@H+](C)Cc3ccccc3C(F)(F)F)o2)cc1 ZINC000043644178 821435046 /nfs/dbraw/zinc/43/50/46/821435046.db2.gz RGKPXZFLUVOJRR-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c(C(C)(C)C)n1 ZINC000180776990 821450542 /nfs/dbraw/zinc/45/05/42/821450542.db2.gz DUDSRRRKYOZUIV-KRWDZBQOSA-N 1 2 381.442 4.310 20 0 GIADLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c(C(C)(C)C)n1 ZINC000180776990 821450546 /nfs/dbraw/zinc/45/05/46/821450546.db2.gz DUDSRRRKYOZUIV-KRWDZBQOSA-N 1 2 381.442 4.310 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCSc2ccccc2)C[C@H](C)O1 ZINC000043862271 821475621 /nfs/dbraw/zinc/47/56/21/821475621.db2.gz KHUSTJDHLTZNTA-HDICACEKSA-N 1 2 399.560 4.210 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCSc2ccccc2)C[C@H](C)O1 ZINC000043862271 821475627 /nfs/dbraw/zinc/47/56/27/821475627.db2.gz KHUSTJDHLTZNTA-HDICACEKSA-N 1 2 399.560 4.210 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2sccc2Br)c2cccc(F)c2)cn1 ZINC000180841387 821489960 /nfs/dbraw/zinc/48/99/60/821489960.db2.gz IPLJLJQEAAPRTH-MRXNPFEDSA-N 1 2 380.286 4.262 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-n2cccn2)cc1 ZINC000180846070 821491426 /nfs/dbraw/zinc/49/14/26/821491426.db2.gz RXHMQDZICQKOHE-AWEZNQCLSA-N 1 2 379.851 4.427 20 0 GIADLO CC(C)c1ccc(-c2nc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cs2)cc1 ZINC000044006024 821500236 /nfs/dbraw/zinc/50/02/36/821500236.db2.gz UQWHLJSRVHYWSA-UHFFFAOYSA-N 1 2 392.528 4.291 20 0 GIADLO COc1ccc([C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c2ccccc2Cl)cc1 ZINC000180891788 821518664 /nfs/dbraw/zinc/51/86/64/821518664.db2.gz OICVVEGHXPATLF-IBGZPJMESA-N 1 2 395.952 4.241 20 0 GIADLO Cc1ccc2c(c1)[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[C@@H](C)C2 ZINC000181006973 821589226 /nfs/dbraw/zinc/58/92/26/821589226.db2.gz PCXPSKJFIAMQOL-FDDCHVKYSA-N 1 2 388.515 4.015 20 0 GIADLO Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(Cl)n1 ZINC000044520767 821598701 /nfs/dbraw/zinc/59/87/01/821598701.db2.gz SSGYAMSFGZUJKN-MRXNPFEDSA-N 1 2 396.293 4.403 20 0 GIADLO O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568397 821610900 /nfs/dbraw/zinc/61/09/00/821610900.db2.gz OZBLSURDQOZRCG-UHFFFAOYSA-N 1 2 385.471 4.334 20 0 GIADLO CC(=O)N(c1nc(CN(C)CCCn2cc[nH+]c2)cs1)c1ccc(C)cc1C ZINC000181057008 821613749 /nfs/dbraw/zinc/61/37/49/821613749.db2.gz XQXFBUWJEGJGAI-UHFFFAOYSA-N 1 2 397.548 4.163 20 0 GIADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000181108708 821638339 /nfs/dbraw/zinc/63/83/39/821638339.db2.gz KYHPJOMFNDPACQ-MRXNPFEDSA-N 1 2 387.281 4.175 20 0 GIADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000181108708 821638345 /nfs/dbraw/zinc/63/83/45/821638345.db2.gz KYHPJOMFNDPACQ-MRXNPFEDSA-N 1 2 387.281 4.175 20 0 GIADLO COc1ccccc1-c1nnc(C[NH2+][C@H](C)c2ccc(Br)cc2)o1 ZINC000181122903 821646835 /nfs/dbraw/zinc/64/68/35/821646835.db2.gz NVCYMGYNQANDFQ-GFCCVEGCSA-N 1 2 388.265 4.359 20 0 GIADLO CCOc1ccc(-c2noc(C[N@H+](Cc3ccc(OC)cc3)C3CC3)n2)cc1 ZINC000044871101 821674360 /nfs/dbraw/zinc/67/43/60/821674360.db2.gz WMRCGKIMIOZDMY-UHFFFAOYSA-N 1 2 379.460 4.309 20 0 GIADLO CCOc1ccc(-c2noc(C[N@@H+](Cc3ccc(OC)cc3)C3CC3)n2)cc1 ZINC000044871101 821674361 /nfs/dbraw/zinc/67/43/61/821674361.db2.gz WMRCGKIMIOZDMY-UHFFFAOYSA-N 1 2 379.460 4.309 20 0 GIADLO COc1cc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2Cl)ccc1S(C)(=O)=O ZINC000181212937 821700264 /nfs/dbraw/zinc/70/02/64/821700264.db2.gz WIAZDKXJBWRYLY-RYUDHWBXSA-N 1 2 385.888 4.303 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1nnc(-c2ccccc2)o1 ZINC000181298042 821741850 /nfs/dbraw/zinc/74/18/50/821741850.db2.gz JPMYHPNCWYFFSX-GJZGRUSLSA-N 1 2 378.432 4.105 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2nc(Cc3ccccc3)cs2)CC1 ZINC000181306616 821746526 /nfs/dbraw/zinc/74/65/26/821746526.db2.gz NRXQZDMHYSASHV-UHFFFAOYSA-N 1 2 387.549 4.223 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc(F)cc1OC(F)F ZINC000181340003 821771066 /nfs/dbraw/zinc/77/10/66/821771066.db2.gz OLOWNURBLLBEDN-OLZOCXBDSA-N 1 2 376.382 4.420 20 0 GIADLO C[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1cccc(N2CCCC2=O)c1 ZINC000181395644 821805059 /nfs/dbraw/zinc/80/50/59/821805059.db2.gz KXXDGSZCLOEVGM-HNNXBMFYSA-N 1 2 379.435 4.458 20 0 GIADLO Clc1ccc(O[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1Cl ZINC000181426981 821821050 /nfs/dbraw/zinc/82/10/50/821821050.db2.gz IBWLPMPWYRZACG-HNNXBMFYSA-N 1 2 393.318 4.451 20 0 GIADLO Clc1ccc(O[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1Cl ZINC000181426981 821821054 /nfs/dbraw/zinc/82/10/54/821821054.db2.gz IBWLPMPWYRZACG-HNNXBMFYSA-N 1 2 393.318 4.451 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)CCc2ccncc2)cs1)c1ccc(C)cc1 ZINC000181466232 821838950 /nfs/dbraw/zinc/83/89/50/821838950.db2.gz QHLWLQRSXGQVEP-UHFFFAOYSA-N 1 2 380.517 4.206 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)CCc2ccncc2)cs1)c1ccc(C)cc1 ZINC000181466232 821838957 /nfs/dbraw/zinc/83/89/57/821838957.db2.gz QHLWLQRSXGQVEP-UHFFFAOYSA-N 1 2 380.517 4.206 20 0 GIADLO COc1ccc([C@@H](CO)[N@H+](C)Cc2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000181701721 821949894 /nfs/dbraw/zinc/94/98/94/821949894.db2.gz SCIICXHBANDJQV-GOSISDBHSA-N 1 2 390.455 4.262 20 0 GIADLO COc1ccc([C@@H](CO)[N@@H+](C)Cc2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000181701721 821949906 /nfs/dbraw/zinc/94/99/06/821949906.db2.gz SCIICXHBANDJQV-GOSISDBHSA-N 1 2 390.455 4.262 20 0 GIADLO CC[C@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(C)cc2)s1)c1ccc(C)cc1 ZINC000181701714 821949983 /nfs/dbraw/zinc/94/99/83/821949983.db2.gz MKJFOWKLRSBKHS-IBGZPJMESA-N 1 2 394.544 4.326 20 0 GIADLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccccc1Oc1ccccc1)c1ccccc1 ZINC000181771091 821986535 /nfs/dbraw/zinc/98/65/35/821986535.db2.gz UHTIHQVXBKTUNS-NRFANRHFSA-N 1 2 381.497 4.354 20 0 GIADLO C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1cccc(F)c1F ZINC000181983719 822052728 /nfs/dbraw/zinc/05/27/28/822052728.db2.gz WYBPFMHZRYUQGE-GUYCJALGSA-N 1 2 399.397 4.179 20 0 GIADLO O=C(CC1CCC(C(F)(F)F)CC1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000182055231 822076389 /nfs/dbraw/zinc/07/63/89/822076389.db2.gz AGQKYINEGPHSGE-UHFFFAOYSA-N 1 2 384.442 4.216 20 0 GIADLO Cn1cc(C[N@@H+]2CCc3c(ncn3CCc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000182144698 822115537 /nfs/dbraw/zinc/11/55/37/822115537.db2.gz FVQBSSZNTZZOJO-UHFFFAOYSA-N 1 2 397.526 4.085 20 0 GIADLO Cn1cc(C[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000182144698 822115542 /nfs/dbraw/zinc/11/55/42/822115542.db2.gz FVQBSSZNTZZOJO-UHFFFAOYSA-N 1 2 397.526 4.085 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000182214883 822151118 /nfs/dbraw/zinc/15/11/18/822151118.db2.gz JCPWVICZGWBUEA-UHFFFAOYSA-N 1 2 383.499 4.332 20 0 GIADLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)OCC(F)(F)F ZINC000182354750 822212880 /nfs/dbraw/zinc/21/28/80/822212880.db2.gz KSOZXMAFMNDTMY-UHFFFAOYSA-N 1 2 385.213 4.246 20 0 GIADLO COc1ccc([C@@H](CCO)[NH2+]Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000182376728 822220851 /nfs/dbraw/zinc/22/08/51/822220851.db2.gz VOYHHFKSPRSJSN-HXUWFJFHSA-N 1 2 381.476 4.082 20 0 GIADLO CC[C@@H]([NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1)c1c(C)noc1C ZINC000182504021 822271999 /nfs/dbraw/zinc/27/19/99/822271999.db2.gz JIYDPNFVJPNPRK-QGZVFWFLSA-N 1 2 384.505 4.170 20 0 GIADLO O=C(NC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1)c1ccccc1 ZINC000178045580 822297955 /nfs/dbraw/zinc/29/79/55/822297955.db2.gz YTNIQKJTZLGWNI-INIZCTEOSA-N 1 2 398.457 4.073 20 0 GIADLO O=C(NC[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)C1)c1ccccc1 ZINC000178045580 822297958 /nfs/dbraw/zinc/29/79/58/822297958.db2.gz YTNIQKJTZLGWNI-INIZCTEOSA-N 1 2 398.457 4.073 20 0 GIADLO O=C(NC[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1)c1ccccc1 ZINC000178045594 822297993 /nfs/dbraw/zinc/29/79/93/822297993.db2.gz YTNIQKJTZLGWNI-MRXNPFEDSA-N 1 2 398.457 4.073 20 0 GIADLO O=C(NC[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)C1)c1ccccc1 ZINC000178045594 822298001 /nfs/dbraw/zinc/29/80/01/822298001.db2.gz YTNIQKJTZLGWNI-MRXNPFEDSA-N 1 2 398.457 4.073 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000178056048 822302877 /nfs/dbraw/zinc/30/28/77/822302877.db2.gz IDIQIHQDDPDMQU-DLBZAZTESA-N 1 2 388.496 4.310 20 0 GIADLO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000182625993 822328217 /nfs/dbraw/zinc/32/82/17/822328217.db2.gz ARXYHGOCUOBQOJ-CVEARBPZSA-N 1 2 392.507 4.396 20 0 GIADLO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000182641571 822334834 /nfs/dbraw/zinc/33/48/34/822334834.db2.gz ZZPLBSPWIZPCFH-OAHLLOKOSA-N 1 2 390.911 4.192 20 0 GIADLO CC[C@H](c1nnc(NC(=O)NCc2ccn3cc[nH+]c3c2)s1)c1ccccc1 ZINC000178203203 822351375 /nfs/dbraw/zinc/35/13/75/822351375.db2.gz OYWRNBXTQAWXGO-INIZCTEOSA-N 1 2 392.488 4.049 20 0 GIADLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000182714726 822357239 /nfs/dbraw/zinc/35/72/39/822357239.db2.gz AGCPIJYJDJILQE-ZDUSSCGKSA-N 1 2 378.394 4.099 20 0 GIADLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000182714726 822357242 /nfs/dbraw/zinc/35/72/42/822357242.db2.gz AGCPIJYJDJILQE-ZDUSSCGKSA-N 1 2 378.394 4.099 20 0 GIADLO Cc1cc(C)c(NC(=O)c2ccc(F)c(I)c2)c(C)[nH+]1 ZINC000178306002 822365597 /nfs/dbraw/zinc/36/55/97/822365597.db2.gz LMCGDESBSKWCHX-UHFFFAOYSA-N 1 2 384.192 4.003 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cn3nc(-c4ccc(F)cc4)ccc3=O)C2)c1 ZINC000182795688 822368823 /nfs/dbraw/zinc/36/88/23/822368823.db2.gz YEGWIRDYDMZBJC-IBGZPJMESA-N 1 2 377.463 4.113 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3nc(-c4ccc(F)cc4)ccc3=O)C2)c1 ZINC000182795688 822368827 /nfs/dbraw/zinc/36/88/27/822368827.db2.gz YEGWIRDYDMZBJC-IBGZPJMESA-N 1 2 377.463 4.113 20 0 GIADLO O=C(NCc1cccc2cccnc21)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178349761 822370047 /nfs/dbraw/zinc/37/00/47/822370047.db2.gz HIBTXJSIBQMCGA-GMAHTHKFSA-N 1 2 397.482 4.159 20 0 GIADLO CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182818740 822372749 /nfs/dbraw/zinc/37/27/49/822372749.db2.gz SIFKSIONZJMONF-AWEZNQCLSA-N 1 2 395.404 4.248 20 0 GIADLO CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182818740 822372754 /nfs/dbraw/zinc/37/27/54/822372754.db2.gz SIFKSIONZJMONF-AWEZNQCLSA-N 1 2 395.404 4.248 20 0 GIADLO Cc1coc(-c2cc(NC(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2C)n1 ZINC000178389833 822374283 /nfs/dbraw/zinc/37/42/83/822374283.db2.gz KCHAUSFHYBIEOQ-UHFFFAOYSA-N 1 2 387.443 4.466 20 0 GIADLO CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182844111 822377164 /nfs/dbraw/zinc/37/71/64/822377164.db2.gz SMPYVHQWNGSPCZ-CYBMUJFWSA-N 1 2 395.404 4.248 20 0 GIADLO CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182844111 822377172 /nfs/dbraw/zinc/37/71/72/822377172.db2.gz SMPYVHQWNGSPCZ-CYBMUJFWSA-N 1 2 395.404 4.248 20 0 GIADLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000178419655 822377618 /nfs/dbraw/zinc/37/76/18/822377618.db2.gz FYKLYLSXFVGDEX-ABAIWWIYSA-N 1 2 381.293 4.489 20 0 GIADLO CC[C@@H](C)[C@H]([NH2+]Cc1nc(C)c(C)o1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000182865946 822381769 /nfs/dbraw/zinc/38/17/69/822381769.db2.gz CKEFHDNWWDVOGL-HXOBKFHXSA-N 1 2 397.563 4.277 20 0 GIADLO Cc1c([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)cnn1-c1ccc(F)cc1 ZINC000182873164 822383586 /nfs/dbraw/zinc/38/35/86/822383586.db2.gz YRGSDPOXYZDPGY-CQSZACIVSA-N 1 2 377.423 4.221 20 0 GIADLO CC[C@@H]([NH2+]Cc1sc(C)cc1Br)c1nnc2n1CCCCC2 ZINC000453582437 822388146 /nfs/dbraw/zinc/38/81/46/822388146.db2.gz FGGYVIYNICLLCY-CYBMUJFWSA-N 1 2 383.359 4.378 20 0 GIADLO Cc1cc(C)cc([C@H](C)[NH2+]Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c1 ZINC000182924065 822393624 /nfs/dbraw/zinc/39/36/24/822393624.db2.gz RBBJCFQKGULOOR-HNNXBMFYSA-N 1 2 388.512 4.297 20 0 GIADLO COc1cccc([C@H](O)C[N@H+](Cc2nccn2C(F)F)Cc2ccccc2)c1 ZINC000178613960 822396183 /nfs/dbraw/zinc/39/61/83/822396183.db2.gz YTGIBPUHXPOUAP-LJQANCHMSA-N 1 2 387.430 4.023 20 0 GIADLO COc1cccc([C@H](O)C[N@@H+](Cc2nccn2C(F)F)Cc2ccccc2)c1 ZINC000178613960 822396186 /nfs/dbraw/zinc/39/61/86/822396186.db2.gz YTGIBPUHXPOUAP-LJQANCHMSA-N 1 2 387.430 4.023 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc4oc(C)nc4c3)CC2)c1 ZINC000178635432 822398214 /nfs/dbraw/zinc/39/82/14/822398214.db2.gz MFIHQGTXUVZBBP-HNNXBMFYSA-N 1 2 394.475 4.056 20 0 GIADLO O=C(Nc1ccccc1OCC(F)(F)F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045673598 822404235 /nfs/dbraw/zinc/40/42/35/822404235.db2.gz VGWCPTGRDWZAIE-UHFFFAOYSA-N 1 2 375.350 4.125 20 0 GIADLO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045676489 822404575 /nfs/dbraw/zinc/40/45/75/822404575.db2.gz UGLMNTYRCZKRMQ-ZDUSSCGKSA-N 1 2 394.302 4.072 20 0 GIADLO CC1(c2ccccc2)CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000178727053 822405714 /nfs/dbraw/zinc/40/57/14/822405714.db2.gz GHCFPNVJHYQQCW-UHFFFAOYSA-N 1 2 388.515 4.195 20 0 GIADLO O=C(Nc1cccc(OCC(F)(F)F)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045736096 822409506 /nfs/dbraw/zinc/40/95/06/822409506.db2.gz MVUYKNASZHOICH-UHFFFAOYSA-N 1 2 375.350 4.125 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(F)c(F)cc2Br)c1C ZINC000178783865 822409534 /nfs/dbraw/zinc/40/95/34/822409534.db2.gz GKYKSNGOASTEBD-UHFFFAOYSA-N 1 2 399.235 4.020 20 0 GIADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000045761313 822411261 /nfs/dbraw/zinc/41/12/61/822411261.db2.gz WNKFTPYAAKWXMY-SFHVURJKSA-N 1 2 381.520 4.066 20 0 GIADLO CC[C@@H]1c2ccsc2CCN1C(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000183018301 822412192 /nfs/dbraw/zinc/41/21/92/822412192.db2.gz KRIBAJDARKQHNF-CYBMUJFWSA-N 1 2 394.422 4.048 20 0 GIADLO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000183067315 822419865 /nfs/dbraw/zinc/41/98/65/822419865.db2.gz LBDIDFBSTYBDRR-CMPLNLGQSA-N 1 2 376.457 4.199 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)Cc1cccs1 ZINC000045911443 822423141 /nfs/dbraw/zinc/42/31/41/822423141.db2.gz GFZIWPDUWZBMIC-INIZCTEOSA-N 1 2 385.514 4.212 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)Cc1cccs1 ZINC000045911443 822423145 /nfs/dbraw/zinc/42/31/45/822423145.db2.gz GFZIWPDUWZBMIC-INIZCTEOSA-N 1 2 385.514 4.212 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1(c2ccc(F)cc2F)CCC1 ZINC000183111193 822425919 /nfs/dbraw/zinc/42/59/19/822425919.db2.gz BBGAGHYGAGCBOA-UHFFFAOYSA-N 1 2 385.458 4.088 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183118541 822426868 /nfs/dbraw/zinc/42/68/68/822426868.db2.gz KZSGUZZOKIKYGP-KLHKWILBSA-N 1 2 383.458 4.046 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(OC(F)F)c(F)c3)n2)c1 ZINC000178993782 822427343 /nfs/dbraw/zinc/42/73/43/822427343.db2.gz AADJNDONGMQWBA-LLVKDONJSA-N 1 2 393.365 4.337 20 0 GIADLO CCOc1ccc(-c2noc(C[NH2+][C@H](C)c3ccccc3-n3cccn3)n2)cc1 ZINC000183138652 822429456 /nfs/dbraw/zinc/42/94/56/822429456.db2.gz WZDFOLYHPZEUDF-MRXNPFEDSA-N 1 2 389.459 4.172 20 0 GIADLO COc1ccc(/C=C(\C)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1F ZINC000183145771 822431022 /nfs/dbraw/zinc/43/10/22/822431022.db2.gz YUJWNIOVMRTFNF-DTQAZKPQSA-N 1 2 395.434 4.152 20 0 GIADLO O=C(c1ccccc1Cl)N1CCC(Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000183148781 822431428 /nfs/dbraw/zinc/43/14/28/822431428.db2.gz XJJWRNCGEFLIHJ-UHFFFAOYSA-N 1 2 384.911 4.052 20 0 GIADLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc(OCc2nccn2C)cc1 ZINC000183150017 822431669 /nfs/dbraw/zinc/43/16/69/822431669.db2.gz JOZSSRKUYSROBC-KRWDZBQOSA-N 1 2 377.492 4.167 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(C(C)=O)c(C)c3)CC2)c1 ZINC000179051502 822433694 /nfs/dbraw/zinc/43/36/94/822433694.db2.gz QDUNLHSUJYIIAZ-QGZVFWFLSA-N 1 2 395.503 4.117 20 0 GIADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1sc2ccccc2c1Cl ZINC000046018215 822435374 /nfs/dbraw/zinc/43/53/74/822435374.db2.gz CLPSWOGFWPNGLT-UHFFFAOYSA-N 1 2 399.947 4.107 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N(Cc1ccco1)Cc1ccco1 ZINC000046019765 822435597 /nfs/dbraw/zinc/43/55/97/822435597.db2.gz NFYZPRCOSJZBPV-UHFFFAOYSA-N 1 2 390.443 4.029 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NCc1ccsc1 ZINC000046038444 822437547 /nfs/dbraw/zinc/43/75/47/822437547.db2.gz RUATVVPHPALWMS-UHFFFAOYSA-N 1 2 398.532 4.145 20 0 GIADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[NH2+][C@@H](c2ccccc2)C2CC2)n1 ZINC000179108131 822438906 /nfs/dbraw/zinc/43/89/06/822438906.db2.gz JKHJUUUJIOGNFL-KRWDZBQOSA-N 1 2 386.496 4.070 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC(c2cccc(Cl)c2)C1 ZINC000454262712 822445658 /nfs/dbraw/zinc/44/56/58/822445658.db2.gz DGXQSMREUFVROH-UHFFFAOYSA-N 1 2 390.940 4.414 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ncc(Br)s1 ZINC000179206753 822450962 /nfs/dbraw/zinc/45/09/62/822450962.db2.gz CTYTUUSRFMZGCT-LLVKDONJSA-N 1 2 382.327 4.473 20 0 GIADLO COc1cc2c(cc1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)O[C@@H](C)C2 ZINC000183337449 822460700 /nfs/dbraw/zinc/46/07/00/822460700.db2.gz FQKGEFQPVMDLTM-WNSKOXEYSA-N 1 2 378.447 4.432 20 0 GIADLO O=C1CCCN1c1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183353308 822462572 /nfs/dbraw/zinc/46/25/72/822462572.db2.gz MFRCVHPOYUAWMI-HSZRJFAPSA-N 1 2 375.447 4.227 20 0 GIADLO Cc1ccc(SCC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046340963 822462927 /nfs/dbraw/zinc/46/29/27/822462927.db2.gz QEKSJZDDPIHOTQ-QZTJIDSGSA-N 1 2 384.545 4.335 20 0 GIADLO Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000046341233 822463095 /nfs/dbraw/zinc/46/30/95/822463095.db2.gz ZDUFYZJHADJYCU-GUDVDZBRSA-N 1 2 382.504 4.010 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2csc3c2CCCC3)C[C@H](C)O1 ZINC000046341641 822463178 /nfs/dbraw/zinc/46/31/78/822463178.db2.gz IVWVHOQUBIVVRI-IYBDPMFKSA-N 1 2 384.545 4.488 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2csc3c2CCCC3)C[C@H](C)O1 ZINC000046341641 822463179 /nfs/dbraw/zinc/46/31/79/822463179.db2.gz IVWVHOQUBIVVRI-IYBDPMFKSA-N 1 2 384.545 4.488 20 0 GIADLO CN(Cc1ccc(Cl)c(F)c1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000179324895 822466296 /nfs/dbraw/zinc/46/62/96/822466296.db2.gz RUQCKTWFFPIUGQ-UHFFFAOYSA-N 1 2 386.858 4.066 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccccc1 ZINC000183402958 822468711 /nfs/dbraw/zinc/46/87/11/822468711.db2.gz GTIXEIHBBBGDFJ-AOMKIAJQSA-N 1 2 392.503 4.076 20 0 GIADLO C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)c1nccn1C ZINC000183405146 822469125 /nfs/dbraw/zinc/46/91/25/822469125.db2.gz HKKOWWKYIIILQN-UZLBHIALSA-N 1 2 394.519 4.490 20 0 GIADLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1 ZINC000183429787 822473779 /nfs/dbraw/zinc/47/37/79/822473779.db2.gz WAXKEGAFJQWKPA-JOCHJYFZSA-N 1 2 398.528 4.189 20 0 GIADLO C[C@H](c1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1)C(F)(F)F ZINC000454432026 822474808 /nfs/dbraw/zinc/47/48/08/822474808.db2.gz LYJFUWOMHUFHRH-CQSZACIVSA-N 1 2 377.410 4.278 20 0 GIADLO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000046468014 822475853 /nfs/dbraw/zinc/47/58/53/822475853.db2.gz KAGWRAADMFBECL-SFHVURJKSA-N 1 2 385.512 4.104 20 0 GIADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CCC[C@@H]1F ZINC000454451343 822477922 /nfs/dbraw/zinc/47/79/22/822477922.db2.gz JCLBLNSUZZOGPU-FCHUYYIVSA-N 1 2 392.478 4.288 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3nnc(C(=O)Nc4ccccc4)s3)C2)c1 ZINC000183466634 822479235 /nfs/dbraw/zinc/47/92/35/822479235.db2.gz ZGHPPSVWIXAMAJ-QGZVFWFLSA-N 1 2 392.528 4.397 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3nnc(C(=O)Nc4ccccc4)s3)C2)c1 ZINC000183466634 822479236 /nfs/dbraw/zinc/47/92/36/822479236.db2.gz ZGHPPSVWIXAMAJ-QGZVFWFLSA-N 1 2 392.528 4.397 20 0 GIADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2cccc(C(F)F)c2)c2ccc(Cl)cc2)C1 ZINC000179421724 822480155 /nfs/dbraw/zinc/48/01/55/822480155.db2.gz YDAQWZRYYSEDCV-ZWKOTPCHSA-N 1 2 394.849 4.079 20 0 GIADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2cccc(C(F)F)c2)c2ccc(Cl)cc2)C1 ZINC000179421724 822480157 /nfs/dbraw/zinc/48/01/57/822480157.db2.gz YDAQWZRYYSEDCV-ZWKOTPCHSA-N 1 2 394.849 4.079 20 0 GIADLO O=C(Cc1ccc(NCc2cccc3[nH+]ccn32)cc1)N1CCc2ccccc21 ZINC000179430140 822481388 /nfs/dbraw/zinc/48/13/88/822481388.db2.gz XYNNMVSGUZWNOT-UHFFFAOYSA-N 1 2 382.467 4.078 20 0 GIADLO Fc1ccc([C@@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)CCO2)cc1 ZINC000179429094 822481465 /nfs/dbraw/zinc/48/14/65/822481465.db2.gz CJPXFHPQKUPJRZ-QHCPKHFHSA-N 1 2 378.447 4.373 20 0 GIADLO Fc1ccc([C@@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)CCO2)cc1 ZINC000179429094 822481467 /nfs/dbraw/zinc/48/14/67/822481467.db2.gz CJPXFHPQKUPJRZ-QHCPKHFHSA-N 1 2 378.447 4.373 20 0 GIADLO O=C(Nc1cccc(OCc2cccnc2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000046536297 822483496 /nfs/dbraw/zinc/48/34/96/822483496.db2.gz BTWPICOQZFUOFO-UHFFFAOYSA-N 1 2 384.439 4.158 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)C[C@H](C)O1 ZINC000454492914 822484267 /nfs/dbraw/zinc/48/42/67/822484267.db2.gz ACJZMBWJFMDYFZ-ZUOPWANTSA-N 1 2 397.563 4.196 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)C[C@H](C)O1 ZINC000454492914 822484270 /nfs/dbraw/zinc/48/42/70/822484270.db2.gz ACJZMBWJFMDYFZ-ZUOPWANTSA-N 1 2 397.563 4.196 20 0 GIADLO CCc1nc2ccccc2n1C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000179467083 822487033 /nfs/dbraw/zinc/48/70/33/822487033.db2.gz XIUCXVPTSFULHX-UHFFFAOYSA-N 1 2 399.498 4.262 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC(C)(CC(F)(F)F)C2)C[C@H](C)O1 ZINC000454510011 822487570 /nfs/dbraw/zinc/48/75/70/822487570.db2.gz NSAMXDXVKHTGEP-GASCZTMLSA-N 1 2 399.457 4.102 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC(C)(CC(F)(F)F)C2)C[C@H](C)O1 ZINC000454510011 822487571 /nfs/dbraw/zinc/48/75/71/822487571.db2.gz NSAMXDXVKHTGEP-GASCZTMLSA-N 1 2 399.457 4.102 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)C[C@H](C)O1 ZINC000454523318 822491072 /nfs/dbraw/zinc/49/10/72/822491072.db2.gz ZUCOGEFPZXKBNI-SHJAMOMRSA-N 1 2 385.552 4.338 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)C[C@H](C)O1 ZINC000454523318 822491074 /nfs/dbraw/zinc/49/10/74/822491074.db2.gz ZUCOGEFPZXKBNI-SHJAMOMRSA-N 1 2 385.552 4.338 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccc(OCc2cccs2)c1 ZINC000046620191 822494073 /nfs/dbraw/zinc/49/40/73/822494073.db2.gz KJFICIXRPMDTNQ-UHFFFAOYSA-N 1 2 393.512 4.121 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2N2CCCCC2)c1C ZINC000183679821 822510309 /nfs/dbraw/zinc/51/03/09/822510309.db2.gz NWJLXQYRXFQDOS-UHFFFAOYSA-N 1 2 396.535 4.039 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)CC1 ZINC000183705727 822514543 /nfs/dbraw/zinc/51/45/43/822514543.db2.gz CDRKDQDJRPNQPQ-GFCCVEGCSA-N 1 2 399.438 4.399 20 0 GIADLO CNC(=O)c1cccc(C[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)c1 ZINC000183717622 822516259 /nfs/dbraw/zinc/51/62/59/822516259.db2.gz KYBJQKCSLDPYRU-IBGZPJMESA-N 1 2 399.288 4.281 20 0 GIADLO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000179664001 822522763 /nfs/dbraw/zinc/52/27/63/822522763.db2.gz JMSWWOHSQKLDNJ-HOTGVXAUSA-N 1 2 392.507 4.396 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 ZINC000183763684 822524564 /nfs/dbraw/zinc/52/45/64/822524564.db2.gz YJOFZJKURUJLSI-AWEZNQCLSA-N 1 2 387.505 4.166 20 0 GIADLO C[C@H](c1cccc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c1)[NH+]1CCOCC1 ZINC000454736758 822525296 /nfs/dbraw/zinc/52/52/96/822525296.db2.gz JPUFSGONCUAGFC-UTKZUKDTSA-N 1 2 395.503 4.432 20 0 GIADLO C[C@@H](c1cccc(NC(=O)NC[C@H]2CCCCC2(F)F)c1)[NH+]1CCOCC1 ZINC000454749136 822527743 /nfs/dbraw/zinc/52/77/43/822527743.db2.gz USQGWLALROIKMK-DOTOQJQBSA-N 1 2 381.467 4.027 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2noc3c2CCCC3)ccc1OCc1ccncc1 ZINC000179703269 822531052 /nfs/dbraw/zinc/53/10/52/822531052.db2.gz MUBHNSBAVRZJCT-INIZCTEOSA-N 1 2 393.487 4.387 20 0 GIADLO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](c1cccc(C)c1)c1ccccn1 ZINC000183827876 822533133 /nfs/dbraw/zinc/53/31/33/822533133.db2.gz BVTWSNDQKXHQDG-KOSHJBKYSA-N 1 2 390.483 4.382 20 0 GIADLO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943529 822533380 /nfs/dbraw/zinc/53/33/80/822533380.db2.gz GNAHJGKTZMUANM-OAHLLOKOSA-N 1 2 395.532 4.063 20 0 GIADLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)nn1-c1ccc(C)cc1 ZINC000179731886 822537314 /nfs/dbraw/zinc/53/73/14/822537314.db2.gz CBLGCKBVJXJICR-UHFFFAOYSA-N 1 2 375.407 4.066 20 0 GIADLO CSCC(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000047042369 822539748 /nfs/dbraw/zinc/53/97/48/822539748.db2.gz PIETUUOZTWLMJY-KRWDZBQOSA-N 1 2 392.615 4.049 20 0 GIADLO CSCC(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000047042369 822539752 /nfs/dbraw/zinc/53/97/52/822539752.db2.gz PIETUUOZTWLMJY-KRWDZBQOSA-N 1 2 392.615 4.049 20 0 GIADLO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000179752397 822542943 /nfs/dbraw/zinc/54/29/43/822542943.db2.gz XCQRRDBOWIAMKZ-SJLPKXTDSA-N 1 2 391.309 4.115 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)c2ccc(Br)cc2)c1C ZINC000179752804 822543096 /nfs/dbraw/zinc/54/30/96/822543096.db2.gz PPCJTNWZAYPFOA-CYBMUJFWSA-N 1 2 391.309 4.232 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)n2)cc1 ZINC000179757712 822544395 /nfs/dbraw/zinc/54/43/95/822544395.db2.gz KMDBDYVAYDOKEW-QFIPXVFZSA-N 1 2 391.471 4.311 20 0 GIADLO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000179768467 822548672 /nfs/dbraw/zinc/54/86/72/822548672.db2.gz OCWXJCXTDSWAQJ-CABCVRRESA-N 1 2 386.496 4.003 20 0 GIADLO Cc1cnc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000183938214 822550483 /nfs/dbraw/zinc/55/04/83/822550483.db2.gz MAKMXQNDWGDAKK-UHFFFAOYSA-N 1 2 380.579 4.048 20 0 GIADLO Cc1ccc(SC2CCCC2)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000179787525 822553206 /nfs/dbraw/zinc/55/32/06/822553206.db2.gz RCRVOPNNCXMJBN-KRWDZBQOSA-N 1 2 381.545 4.433 20 0 GIADLO COC(=O)c1ccc(C[N@H+](C)Cc2nnc(-c3cc4c(s3)CCCC4)o2)cc1 ZINC000183963591 822554658 /nfs/dbraw/zinc/55/46/58/822554658.db2.gz OSIBRPOCJBYSCZ-UHFFFAOYSA-N 1 2 397.500 4.096 20 0 GIADLO COC(=O)c1ccc(C[N@@H+](C)Cc2nnc(-c3cc4c(s3)CCCC4)o2)cc1 ZINC000183963591 822554659 /nfs/dbraw/zinc/55/46/59/822554659.db2.gz OSIBRPOCJBYSCZ-UHFFFAOYSA-N 1 2 397.500 4.096 20 0 GIADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183974537 822556312 /nfs/dbraw/zinc/55/63/12/822556312.db2.gz LTWZRDXSTUNVHV-LBPRGKRZSA-N 1 2 385.489 4.252 20 0 GIADLO CCCCOC(=O)c1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000047240317 822557677 /nfs/dbraw/zinc/55/76/77/822557677.db2.gz LIOBQJQMZIRZHY-UHFFFAOYSA-N 1 2 377.444 4.141 20 0 GIADLO C[C@@H](CNC(=O)c1scnc1C1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000183999589 822561229 /nfs/dbraw/zinc/56/12/29/822561229.db2.gz LKGUVTRHXZXIQT-ZDUSSCGKSA-N 1 2 375.563 4.039 20 0 GIADLO C[C@@H](CNC(=O)c1scnc1C1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000183999589 822561233 /nfs/dbraw/zinc/56/12/33/822561233.db2.gz LKGUVTRHXZXIQT-ZDUSSCGKSA-N 1 2 375.563 4.039 20 0 GIADLO COc1ccc(/C=C(\C)C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1F ZINC000184106265 822578866 /nfs/dbraw/zinc/57/88/66/822578866.db2.gz FWJLHFOMEBWHIM-SFQUDFHCSA-N 1 2 398.478 4.017 20 0 GIADLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000179930033 822579126 /nfs/dbraw/zinc/57/91/26/822579126.db2.gz DRORCTATRJFQSS-NSHDSACASA-N 1 2 396.800 4.323 20 0 GIADLO Cc1cnc(=S)n(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)c1 ZINC000184123691 822582135 /nfs/dbraw/zinc/58/21/35/822582135.db2.gz ACOSAIHUKAWGLF-UHFFFAOYSA-N 1 2 394.338 4.184 20 0 GIADLO O=C(Nc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1)c1ccccc1 ZINC000047514397 822585735 /nfs/dbraw/zinc/58/57/35/822585735.db2.gz MSOVATRHEKTZEC-UHFFFAOYSA-N 1 2 382.423 4.377 20 0 GIADLO O=C(Nc1cccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1)c1cccs1 ZINC000047514769 822585771 /nfs/dbraw/zinc/58/57/71/822585771.db2.gz SYNBXNCAEXNHPP-UHFFFAOYSA-N 1 2 388.452 4.438 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000047528905 822587718 /nfs/dbraw/zinc/58/77/18/822587718.db2.gz XCCZCKIQMORIDC-UHFFFAOYSA-N 1 2 392.846 4.170 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 ZINC000184167198 822589439 /nfs/dbraw/zinc/58/94/39/822589439.db2.gz QFUKHOBDVKMGJL-JTQLQIEISA-N 1 2 394.472 4.143 20 0 GIADLO CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000047569564 822591917 /nfs/dbraw/zinc/59/19/17/822591917.db2.gz WFKMDKRZNAWGKN-ROUUACIJSA-N 1 2 399.510 4.489 20 0 GIADLO Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047570108 822592070 /nfs/dbraw/zinc/59/20/70/822592070.db2.gz UUDMASGLRDRRHJ-AQNXPRMDSA-N 1 2 395.547 4.357 20 0 GIADLO Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047570108 822592071 /nfs/dbraw/zinc/59/20/71/822592071.db2.gz UUDMASGLRDRRHJ-AQNXPRMDSA-N 1 2 395.547 4.357 20 0 GIADLO Cc1ccc(CN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C2CC2)o1 ZINC000047569972 822592103 /nfs/dbraw/zinc/59/21/03/822592103.db2.gz GUFAZSTXNGLAQL-ROUUACIJSA-N 1 2 397.519 4.394 20 0 GIADLO Cc1ccccc1C[C@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047570110 822592117 /nfs/dbraw/zinc/59/21/17/822592117.db2.gz UUDMASGLRDRRHJ-SLFFLAALSA-N 1 2 395.547 4.357 20 0 GIADLO Cc1ccccc1C[C@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047570110 822592120 /nfs/dbraw/zinc/59/21/20/822592120.db2.gz UUDMASGLRDRRHJ-SLFFLAALSA-N 1 2 395.547 4.357 20 0 GIADLO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000180000605 822593357 /nfs/dbraw/zinc/59/33/57/822593357.db2.gz VHBBWJDDYNHIKX-UHFFFAOYSA-N 1 2 387.524 4.288 20 0 GIADLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000180000605 822593361 /nfs/dbraw/zinc/59/33/61/822593361.db2.gz VHBBWJDDYNHIKX-UHFFFAOYSA-N 1 2 387.524 4.288 20 0 GIADLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(-c4ccc(F)cc4)o3)ccc2NC1=O ZINC000180007061 822594797 /nfs/dbraw/zinc/59/47/97/822594797.db2.gz OXJZUMZVMTXLOF-UGSOOPFHSA-N 1 2 395.434 4.441 20 0 GIADLO CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1Cl ZINC000047601362 822595505 /nfs/dbraw/zinc/59/55/05/822595505.db2.gz GQTYRLUVWGEMRV-UHFFFAOYSA-N 1 2 379.913 4.150 20 0 GIADLO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](COCC(C)C)c2ccco2)cc1 ZINC000184210081 822596672 /nfs/dbraw/zinc/59/66/72/822596672.db2.gz XZWYKEHEIQPEPZ-YJBOKZPZSA-N 1 2 376.522 4.332 20 0 GIADLO CSc1ccc([C@@H](CNC(=O)NC2CC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000047617070 822597227 /nfs/dbraw/zinc/59/72/27/822597227.db2.gz DWYXWHPGQNYIET-GOSISDBHSA-N 1 2 387.574 4.031 20 0 GIADLO CSc1ccc([C@@H](CNC(=O)NC2CC2)[N@H+]2CCc3sccc3C2)cc1 ZINC000047617070 822597228 /nfs/dbraw/zinc/59/72/28/822597228.db2.gz DWYXWHPGQNYIET-GOSISDBHSA-N 1 2 387.574 4.031 20 0 GIADLO CC(C)n1nc2c(c1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)CCC2 ZINC000455158230 822599128 /nfs/dbraw/zinc/59/91/28/822599128.db2.gz NLDQGZUBVGUSKC-UHFFFAOYSA-N 1 2 398.898 4.114 20 0 GIADLO CC(C)COc1cccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000047695706 822600355 /nfs/dbraw/zinc/60/03/55/822600355.db2.gz DWVUINYNDCTFJR-UHFFFAOYSA-N 1 2 378.476 4.288 20 0 GIADLO NC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)c2ccccc2Br)c1 ZINC000180039051 822602700 /nfs/dbraw/zinc/60/27/00/822602700.db2.gz JLRDMQSTSZXWCX-FQEVSTJZSA-N 1 2 395.300 4.427 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000047753271 822606319 /nfs/dbraw/zinc/60/63/19/822606319.db2.gz OZRQRLIEVFMGDN-UHFFFAOYSA-N 1 2 381.339 4.452 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000047753271 822606323 /nfs/dbraw/zinc/60/63/23/822606323.db2.gz OZRQRLIEVFMGDN-UHFFFAOYSA-N 1 2 381.339 4.452 20 0 GIADLO COc1cc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)ccn1 ZINC000180065830 822607709 /nfs/dbraw/zinc/60/77/09/822607709.db2.gz IINYZQILRGNSHV-QFIPXVFZSA-N 1 2 396.874 4.394 20 0 GIADLO Cc1ccc(Oc2ccccc2CC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000455206271 822608427 /nfs/dbraw/zinc/60/84/27/822608427.db2.gz OUWANCOKSDSIJI-UHFFFAOYSA-N 1 2 375.472 4.390 20 0 GIADLO O=C(Cc1cccc(OCc2cccnc2)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000180081845 822611498 /nfs/dbraw/zinc/61/14/98/822611498.db2.gz HVSLCGBPYLBQFC-UHFFFAOYSA-N 1 2 384.439 4.232 20 0 GIADLO CCC(C)(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000047812373 822612049 /nfs/dbraw/zinc/61/20/49/822612049.db2.gz NQTMQBCHHFNPDL-SFHVURJKSA-N 1 2 399.539 4.038 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2nc3oc(C)c(C)c3c(N)n2)ccc1OCC(C)C ZINC000180087139 822612618 /nfs/dbraw/zinc/61/26/18/822612618.db2.gz AOGISVHBHKKOAV-CQSZACIVSA-N 1 2 398.507 4.316 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(N(C)C)c1C ZINC000180103789 822615905 /nfs/dbraw/zinc/61/59/05/822615905.db2.gz WBKMLSHPFQKCFL-UHFFFAOYSA-N 1 2 395.551 4.226 20 0 GIADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3nnnn3-c3c(C)cccc3C)c(C)c2c1 ZINC000184340936 822618574 /nfs/dbraw/zinc/61/85/74/822618574.db2.gz KAJYNBYXCDXXLV-MRXNPFEDSA-N 1 2 391.475 4.193 20 0 GIADLO CCOc1ccc2nc(NC(=O)C[NH2+][C@H](CC)c3nc(C)cs3)sc2c1 ZINC000184369415 822623475 /nfs/dbraw/zinc/62/34/75/822623475.db2.gz IWUPZAZHRRDPRY-CYBMUJFWSA-N 1 2 390.534 4.139 20 0 GIADLO COCC[N@H+](Cc1csc(-c2cc(Br)ccc2OC)n1)C1CC1 ZINC000048023746 822625561 /nfs/dbraw/zinc/62/55/61/822625561.db2.gz JLZNFSJMGFWTBZ-UHFFFAOYSA-N 1 2 397.338 4.192 20 0 GIADLO COCC[N@@H+](Cc1csc(-c2cc(Br)ccc2OC)n1)C1CC1 ZINC000048023746 822625564 /nfs/dbraw/zinc/62/55/64/822625564.db2.gz JLZNFSJMGFWTBZ-UHFFFAOYSA-N 1 2 397.338 4.192 20 0 GIADLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c2c(n1)onc2C(C)C ZINC000184385123 822626018 /nfs/dbraw/zinc/62/60/18/822626018.db2.gz XGALLGBETQAVSB-HNNXBMFYSA-N 1 2 398.532 4.235 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)n1 ZINC000184403555 822629053 /nfs/dbraw/zinc/62/90/53/822629053.db2.gz RQIPUUVDGTWYIX-AWEZNQCLSA-N 1 2 393.438 4.258 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)n1 ZINC000184403555 822629055 /nfs/dbraw/zinc/62/90/55/822629055.db2.gz RQIPUUVDGTWYIX-AWEZNQCLSA-N 1 2 393.438 4.258 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)C[C@H]1n1cc[nH+]c1 ZINC000184423862 822632525 /nfs/dbraw/zinc/63/25/25/822632525.db2.gz OORVHHFYNMTSLX-MAUKXSAKSA-N 1 2 381.505 4.045 20 0 GIADLO CCc1ccc([C@@H]([NH2+]Cc2cccc(C)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180178940 822633392 /nfs/dbraw/zinc/63/33/92/822633392.db2.gz FRMBDHHLZPAYAY-HSZRJFAPSA-N 1 2 394.540 4.235 20 0 GIADLO Cc1cc(OC(C)C)ccc1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000048121077 822635322 /nfs/dbraw/zinc/63/53/22/822635322.db2.gz JFFSPVNRKLAEGB-UHFFFAOYSA-N 1 2 397.519 4.011 20 0 GIADLO CCCOc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000048124095 822635898 /nfs/dbraw/zinc/63/58/98/822635898.db2.gz BFAMAXDXHXLDEO-UHFFFAOYSA-N 1 2 388.899 4.314 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000184446399 822636610 /nfs/dbraw/zinc/63/66/10/822636610.db2.gz VYDZAMXTBILQHJ-CYBMUJFWSA-N 1 2 375.563 4.230 20 0 GIADLO CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184447928 822637040 /nfs/dbraw/zinc/63/70/40/822637040.db2.gz VODANDCCVZOMFA-AWEZNQCLSA-N 1 2 391.606 4.472 20 0 GIADLO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184460536 822639435 /nfs/dbraw/zinc/63/94/35/822639435.db2.gz VDFRCNBYEOKEEB-GFCCVEGCSA-N 1 2 395.956 4.070 20 0 GIADLO Cc1nc(-c2ccccc2)sc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000184462789 822640036 /nfs/dbraw/zinc/64/00/36/822640036.db2.gz UVPUTDXWCCFVNL-WMLDXEAASA-N 1 2 381.505 4.430 20 0 GIADLO C[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cc2ccccc2o1 ZINC000048150125 822640207 /nfs/dbraw/zinc/64/02/07/822640207.db2.gz MBWLXPIIRLMNJO-QGZVFWFLSA-N 1 2 388.471 4.281 20 0 GIADLO CCCc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[nH]c(C)c1C(C)=O ZINC000048182762 822642812 /nfs/dbraw/zinc/64/28/12/822642812.db2.gz RZHPVLGMOBWPGC-GOSISDBHSA-N 1 2 385.508 4.028 20 0 GIADLO O=C(Nc1cccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c1)[C@@H]1CCCO1 ZINC000180230408 822644420 /nfs/dbraw/zinc/64/44/20/822644420.db2.gz VXYWHSMKDSRSOK-XZOQPEGZSA-N 1 2 387.483 4.078 20 0 GIADLO COC[C@H]([NH2+]CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)c1ccco1 ZINC000184519591 822649741 /nfs/dbraw/zinc/64/97/41/822649741.db2.gz YIDGLVUKJPFWOE-INIZCTEOSA-N 1 2 399.516 4.244 20 0 GIADLO C[N@H+](Cc1ccc2ccccc2c1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000048275074 822650924 /nfs/dbraw/zinc/65/09/24/822650924.db2.gz WVXFVFCJDCAFME-UHFFFAOYSA-N 1 2 395.466 4.306 20 0 GIADLO C[N@@H+](Cc1ccc2ccccc2c1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000048275074 822650925 /nfs/dbraw/zinc/65/09/25/822650925.db2.gz WVXFVFCJDCAFME-UHFFFAOYSA-N 1 2 395.466 4.306 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(-c3ccccc3C)nn2C)c1C ZINC000184544318 822654675 /nfs/dbraw/zinc/65/46/75/822654675.db2.gz OGOYGSRBQQJRQA-UHFFFAOYSA-N 1 2 393.491 4.080 20 0 GIADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccco1 ZINC000184555077 822656515 /nfs/dbraw/zinc/65/65/15/822656515.db2.gz CWWLKUQOBKDTIQ-HZMBPMFUSA-N 1 2 390.789 4.256 20 0 GIADLO OC1CCN(c2[nH+]cccc2NCc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000180299093 822659209 /nfs/dbraw/zinc/65/92/09/822659209.db2.gz PMZAMGSYKINLMU-UHFFFAOYSA-N 1 2 385.414 4.193 20 0 GIADLO Cc1cc(C)c(NC(=O)NCc2cccc(COC3CCOCC3)c2)c(C)[nH+]1 ZINC000455464546 822659752 /nfs/dbraw/zinc/65/97/52/822659752.db2.gz DRKARTOVTPIXMF-UHFFFAOYSA-N 1 2 383.492 4.024 20 0 GIADLO Cc1ccc2c(C[NH2+][C@H](c3cnn(C)c3)c3ccc(F)cc3)cc(=O)oc2c1C ZINC000184589187 822662324 /nfs/dbraw/zinc/66/23/24/822662324.db2.gz LOUAKYSDMYSNKU-QFIPXVFZSA-N 1 2 391.446 4.162 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c(C)[nH+]1 ZINC000455486257 822663980 /nfs/dbraw/zinc/66/39/80/822663980.db2.gz ROZXPAIIMIQOFJ-UHFFFAOYSA-N 1 2 390.890 4.149 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2ccc(F)cc2Br)c2ccc(F)cc2)cn1 ZINC000184602005 822664266 /nfs/dbraw/zinc/66/42/66/822664266.db2.gz DYSHHLMGRVBEIV-GOSISDBHSA-N 1 2 392.247 4.340 20 0 GIADLO COC(=O)C[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(Cl)c(F)c1 ZINC000455494259 822665621 /nfs/dbraw/zinc/66/56/21/822665621.db2.gz MWUOTZHDIXHHQD-MRXNPFEDSA-N 1 2 393.846 4.225 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)c(C)[nH+]1 ZINC000455493809 822665627 /nfs/dbraw/zinc/66/56/27/822665627.db2.gz MNMKRZKXIVYSHB-UHFFFAOYSA-N 1 2 376.863 4.153 20 0 GIADLO Cc1cc(C)c(NC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000455496593 822665987 /nfs/dbraw/zinc/66/59/87/822665987.db2.gz PCEIXZMNUQENQO-DLBZAZTESA-N 1 2 393.409 4.365 20 0 GIADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccco1 ZINC000184625471 822667518 /nfs/dbraw/zinc/66/75/18/822667518.db2.gz PNKHQHGKDUFDPJ-GOEBONIOSA-N 1 2 385.489 4.016 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c(C)[nH+]1 ZINC000455530979 822671246 /nfs/dbraw/zinc/67/12/46/822671246.db2.gz RWMWPKLPAUKVFL-CQSZACIVSA-N 1 2 394.244 4.164 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccccc3N3CCCC3)cn2c1 ZINC000048561368 822672472 /nfs/dbraw/zinc/67/24/72/822672472.db2.gz LZVGDIJOCLDVHT-UHFFFAOYSA-N 1 2 380.517 4.115 20 0 GIADLO COc1c(C)c[nH+]c(CSCc2ccc(S(=O)(=O)C(F)F)cc2)c1C ZINC000180377812 822672435 /nfs/dbraw/zinc/67/24/35/822672435.db2.gz PHLFBTNGXCBJGD-UHFFFAOYSA-N 1 2 387.473 4.137 20 0 GIADLO CCCOc1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1OCCC ZINC000180382407 822673242 /nfs/dbraw/zinc/67/32/42/822673242.db2.gz WOWROMQZPFRVML-SFHVURJKSA-N 1 2 386.496 4.157 20 0 GIADLO CC(Cl)(Cl)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000180387987 822674042 /nfs/dbraw/zinc/67/40/42/822674042.db2.gz AOPRSLGVJLJXBX-UHFFFAOYSA-N 1 2 388.298 4.408 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cc(F)cc(F)c3F)CC2)c1 ZINC000455561035 822674786 /nfs/dbraw/zinc/67/47/86/822674786.db2.gz DZURPNKURZHJQE-CYBMUJFWSA-N 1 2 393.409 4.023 20 0 GIADLO Cc1nc(-c2ccc(CCNC(=O)NCc3c[nH+]c(C)cc3C)s2)cs1 ZINC000455564208 822675205 /nfs/dbraw/zinc/67/52/05/822675205.db2.gz UZWQHPWNTHYDPE-UHFFFAOYSA-N 1 2 386.546 4.234 20 0 GIADLO CN1CCC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc21 ZINC000455564353 822675348 /nfs/dbraw/zinc/67/53/48/822675348.db2.gz XHECZFUIFXJZPX-OAQYLSRUSA-N 1 2 395.551 4.056 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c[nH+]1 ZINC000455567906 822675895 /nfs/dbraw/zinc/67/58/95/822675895.db2.gz IMKDHYONIQEUII-INIZCTEOSA-N 1 2 377.410 4.416 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cs1 ZINC000184688761 822676881 /nfs/dbraw/zinc/67/68/81/822676881.db2.gz KAIFJDUXNCGRQC-OAHLLOKOSA-N 1 2 394.544 4.153 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c[nH+]1 ZINC000455574219 822677066 /nfs/dbraw/zinc/67/70/66/822677066.db2.gz QMEKDHNNUCTUEW-QGZVFWFLSA-N 1 2 387.911 4.352 20 0 GIADLO CCc1c(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[nH]c(C)c1C(C)=O ZINC000048679193 822677981 /nfs/dbraw/zinc/67/79/81/822677981.db2.gz CJGPTSOABYEDFT-GFCCVEGCSA-N 1 2 388.537 4.029 20 0 GIADLO CCc1c(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[nH]c(C)c1C(C)=O ZINC000048679193 822677984 /nfs/dbraw/zinc/67/79/84/822677984.db2.gz CJGPTSOABYEDFT-GFCCVEGCSA-N 1 2 388.537 4.029 20 0 GIADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]Cc1cccnc1N(C)C ZINC000048712365 822679482 /nfs/dbraw/zinc/67/94/82/822679482.db2.gz IZHSMHSEFIJQAG-UHFFFAOYSA-N 1 2 383.927 4.202 20 0 GIADLO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000048735595 822680274 /nfs/dbraw/zinc/68/02/74/822680274.db2.gz AHKNMVOMMOXTCY-INIZCTEOSA-N 1 2 392.463 4.046 20 0 GIADLO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2csc(CC)n2)cc1 ZINC000184721595 822681852 /nfs/dbraw/zinc/68/18/52/822681852.db2.gz UDAMRXQCGVZPGK-KXBFYZLASA-N 1 2 387.549 4.119 20 0 GIADLO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2csc(CC)n2)cc1 ZINC000184721576 822681861 /nfs/dbraw/zinc/68/18/61/822681861.db2.gz UDAMRXQCGVZPGK-BEFAXECRSA-N 1 2 387.549 4.119 20 0 GIADLO COc1cccc(C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000048811573 822684197 /nfs/dbraw/zinc/68/41/97/822684197.db2.gz UQNQSNJJEQJSKD-UHFFFAOYSA-N 1 2 385.817 4.085 20 0 GIADLO Cc1nc(C[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)sc1C ZINC000180469435 822687594 /nfs/dbraw/zinc/68/75/94/822687594.db2.gz UBJXMNBFQDLSSS-SNVBAGLBSA-N 1 2 383.311 4.144 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)o1 ZINC000184844900 822699357 /nfs/dbraw/zinc/69/93/57/822699357.db2.gz FWSBZNKMRSROAO-MAUKXSAKSA-N 1 2 384.476 4.085 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)o1 ZINC000184844961 822699389 /nfs/dbraw/zinc/69/93/89/822699389.db2.gz FWSBZNKMRSROAO-QAPCUYQASA-N 1 2 384.476 4.085 20 0 GIADLO CN(C)C(=O)CC1CC[NH+](Cn2c(-c3ccccc3)csc2=S)CC1 ZINC000180558998 822702327 /nfs/dbraw/zinc/70/23/27/822702327.db2.gz KGJJWMJMURXKGE-UHFFFAOYSA-N 1 2 375.563 4.094 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ncc(-c2ccccc2)o1 ZINC000184865269 822703200 /nfs/dbraw/zinc/70/32/00/822703200.db2.gz JFUVCWDQTLONJW-CYBMUJFWSA-N 1 2 392.427 4.189 20 0 GIADLO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184873733 822705000 /nfs/dbraw/zinc/70/50/00/822705000.db2.gz AGJHGEAKWMLHEQ-CVEARBPZSA-N 1 2 379.460 4.418 20 0 GIADLO C[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1ncc(-c2ccccc2)o1 ZINC000184880639 822706351 /nfs/dbraw/zinc/70/63/51/822706351.db2.gz HYSPABRFLGTWDC-KRWDZBQOSA-N 1 2 375.472 4.188 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184896611 822709309 /nfs/dbraw/zinc/70/93/09/822709309.db2.gz LHOJDFRKQDFVKJ-CVEARBPZSA-N 1 2 379.460 4.336 20 0 GIADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O ZINC000184980425 822721271 /nfs/dbraw/zinc/72/12/71/822721271.db2.gz NVIDSOGIISDKOB-JLTOFOAXSA-N 1 2 383.442 4.420 20 0 GIADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O ZINC000184980425 822721272 /nfs/dbraw/zinc/72/12/72/822721272.db2.gz NVIDSOGIISDKOB-JLTOFOAXSA-N 1 2 383.442 4.420 20 0 GIADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O ZINC000184980465 822721301 /nfs/dbraw/zinc/72/13/01/822721301.db2.gz NVIDSOGIISDKOB-VBKZILBWSA-N 1 2 383.442 4.420 20 0 GIADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O ZINC000184980465 822721303 /nfs/dbraw/zinc/72/13/03/822721303.db2.gz NVIDSOGIISDKOB-VBKZILBWSA-N 1 2 383.442 4.420 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(C)c1 ZINC000050231472 822721894 /nfs/dbraw/zinc/72/18/94/822721894.db2.gz HEGRMEHLRHOBOR-OAQYLSRUSA-N 1 2 384.495 4.371 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(C)c1 ZINC000050231472 822721896 /nfs/dbraw/zinc/72/18/96/822721896.db2.gz HEGRMEHLRHOBOR-OAQYLSRUSA-N 1 2 384.495 4.371 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)s1 ZINC000185002247 822723956 /nfs/dbraw/zinc/72/39/56/822723956.db2.gz ZXXLEXWPOBLQJI-LIRRHRJNSA-N 1 2 375.513 4.289 20 0 GIADLO CCCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000455776945 822724541 /nfs/dbraw/zinc/72/45/41/822724541.db2.gz PNQQQVVDSCFENY-CYBMUJFWSA-N 1 2 380.414 4.315 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cc(Br)cc(F)c1O ZINC000185032686 822727380 /nfs/dbraw/zinc/72/73/80/822727380.db2.gz NPICJABWVBTWAG-GFCCVEGCSA-N 1 2 390.256 4.330 20 0 GIADLO C[C@H]([NH2+]CCOc1ccccc1C(=O)OC(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000185063189 822731367 /nfs/dbraw/zinc/73/13/67/822731367.db2.gz WAODWRSFOYJUBT-AWEZNQCLSA-N 1 2 389.496 4.052 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1nccs1 ZINC000185110502 822738360 /nfs/dbraw/zinc/73/83/60/822738360.db2.gz RTMQHXGGZOKQQG-OAHLLOKOSA-N 1 2 387.505 4.254 20 0 GIADLO Cc1c(-c2cc(C[NH2+][C@H](c3ccccc3)c3cccc(F)c3)on2)cnn1C ZINC000185127813 822740490 /nfs/dbraw/zinc/74/04/90/822740490.db2.gz UMVXKKXVNCHQCQ-JOCHJYFZSA-N 1 2 376.435 4.402 20 0 GIADLO C[N@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)Cn1nc2n(c1=S)CCCCC2 ZINC000050928129 822742674 /nfs/dbraw/zinc/74/26/74/822742674.db2.gz QHGASOVSCLJGHZ-UYAOXDASSA-N 1 2 386.565 4.198 20 0 GIADLO C[N@@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)Cn1nc2n(c1=S)CCCCC2 ZINC000050928129 822742675 /nfs/dbraw/zinc/74/26/75/822742675.db2.gz QHGASOVSCLJGHZ-UYAOXDASSA-N 1 2 386.565 4.198 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(Oc2ccccc2)nc1 ZINC000051035593 822744615 /nfs/dbraw/zinc/74/46/15/822744615.db2.gz VHKUPAREEGZIMY-UHFFFAOYSA-N 1 2 398.466 4.091 20 0 GIADLO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000051092515 822746448 /nfs/dbraw/zinc/74/64/48/822746448.db2.gz PLIKPZPJKCBQIO-SFHVURJKSA-N 1 2 377.271 4.357 20 0 GIADLO O=C(CC1(CSc2ccccc2)CC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000185185941 822746956 /nfs/dbraw/zinc/74/69/56/822746956.db2.gz ZKXUHGAOMOYQDM-UHFFFAOYSA-N 1 2 381.545 4.129 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 ZINC000455917033 822748889 /nfs/dbraw/zinc/74/88/89/822748889.db2.gz CZUWMYHMIFYKII-ZDUSSCGKSA-N 1 2 399.495 4.157 20 0 GIADLO Cc1nc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)sc1Cc1cccc(Cl)c1 ZINC000455931412 822751801 /nfs/dbraw/zinc/75/18/01/822751801.db2.gz PHPHGJZOBXPDQY-LBPRGKRZSA-N 1 2 389.912 4.102 20 0 GIADLO Cc1ccc2[nH]cc(CCC(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)c2c1 ZINC000174274879 822760998 /nfs/dbraw/zinc/76/09/98/822760998.db2.gz VXYUAQPLTAMBRB-UHFFFAOYSA-N 1 2 376.435 4.050 20 0 GIADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2csc(-c3ncccn3)n2)CC1 ZINC000051538452 822765278 /nfs/dbraw/zinc/76/52/78/822765278.db2.gz OBONMYLPLHWXKB-HNNXBMFYSA-N 1 2 399.951 4.132 20 0 GIADLO C[C@H](c1nnc(Sc2nc3ccccc3o2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000051588871 822767569 /nfs/dbraw/zinc/76/75/69/822767569.db2.gz LQFMFLCKRFBUMS-GFCCVEGCSA-N 1 2 383.452 4.321 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(COCc3ccco3)c2)c1C ZINC000051616082 822768769 /nfs/dbraw/zinc/76/87/69/822768769.db2.gz YGVMMIBOYJTMNR-UHFFFAOYSA-N 1 2 395.459 4.339 20 0 GIADLO C[C@@H]1CC=C(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000456055318 822772063 /nfs/dbraw/zinc/77/20/63/822772063.db2.gz LMWXIQGRQHBDTK-CQSZACIVSA-N 1 2 392.297 4.014 20 0 GIADLO CC(C)OCc1cccc(CNC(=O)C[N@H+](C)Cc2ccc(Cl)s2)c1 ZINC000051679802 822773416 /nfs/dbraw/zinc/77/34/16/822773416.db2.gz YGVDXTXBXYQHTA-UHFFFAOYSA-N 1 2 380.941 4.075 20 0 GIADLO CC(C)OCc1cccc(CNC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)c1 ZINC000051679802 822773419 /nfs/dbraw/zinc/77/34/19/822773419.db2.gz YGVDXTXBXYQHTA-UHFFFAOYSA-N 1 2 380.941 4.075 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1Oc1cccnc1 ZINC000051982900 822785706 /nfs/dbraw/zinc/78/57/06/822785706.db2.gz XJYUNWBJBFGKSL-UHFFFAOYSA-N 1 2 388.471 4.189 20 0 GIADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000052008292 822786710 /nfs/dbraw/zinc/78/67/10/822786710.db2.gz DUUYIJFVQPCUMR-MRXNPFEDSA-N 1 2 382.291 4.085 20 0 GIADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000052008292 822786711 /nfs/dbraw/zinc/78/67/11/822786711.db2.gz DUUYIJFVQPCUMR-MRXNPFEDSA-N 1 2 382.291 4.085 20 0 GIADLO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(Br)cc(F)c1O ZINC000185532458 822794139 /nfs/dbraw/zinc/79/41/39/822794139.db2.gz SOKCWQQRLSXKRY-YVEFUNNKSA-N 1 2 382.273 4.458 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)CCc1ccccc1 ZINC000174484049 822795632 /nfs/dbraw/zinc/79/56/32/822795632.db2.gz CGQVSJHDCRIGKG-HXUWFJFHSA-N 1 2 394.563 4.351 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc(Oc2ccccn2)c1 ZINC000174498422 822797238 /nfs/dbraw/zinc/79/72/38/822797238.db2.gz WEOAGYWHASOYMO-UHFFFAOYSA-N 1 2 385.427 4.381 20 0 GIADLO CC[C@](C)([NH2+]Cc1cc2c(cc1Br)OCO2)c1nc(C)cs1 ZINC000174500279 822797358 /nfs/dbraw/zinc/79/73/58/822797358.db2.gz CHEZQYUHSGNZJH-INIZCTEOSA-N 1 2 383.311 4.358 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CC[C@@H](C)C[C@H]3c3ccco3)n2)c(OC)c1 ZINC000174509426 822798740 /nfs/dbraw/zinc/79/87/40/822798740.db2.gz OQLOFPVEXHZSAP-PBHICJAKSA-N 1 2 383.448 4.320 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CC[C@@H](C)C[C@H]3c3ccco3)n2)c(OC)c1 ZINC000174509426 822798741 /nfs/dbraw/zinc/79/87/41/822798741.db2.gz OQLOFPVEXHZSAP-PBHICJAKSA-N 1 2 383.448 4.320 20 0 GIADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847895 822812822 /nfs/dbraw/zinc/81/28/22/822812822.db2.gz RFJMMHOBAOCIIA-VIFPVBQESA-N 1 2 389.265 4.248 20 0 GIADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847895 822812826 /nfs/dbraw/zinc/81/28/26/822812826.db2.gz RFJMMHOBAOCIIA-VIFPVBQESA-N 1 2 389.265 4.248 20 0 GIADLO CCO[C@H](C)c1nc(C[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cs1 ZINC000185629311 822804158 /nfs/dbraw/zinc/80/41/58/822804158.db2.gz GYKMGSRFGQBNNZ-GXFFZTMASA-N 1 2 390.475 4.467 20 0 GIADLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cs1 ZINC000185629775 822804265 /nfs/dbraw/zinc/80/42/65/822804265.db2.gz AZHKGTMUYRZTBL-SKDRFNHKSA-N 1 2 376.448 4.077 20 0 GIADLO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C(C)C)CC2 ZINC000052636589 822805904 /nfs/dbraw/zinc/80/59/04/822805904.db2.gz RFEISUFLKNIPPB-INIZCTEOSA-N 1 2 382.504 4.213 20 0 GIADLO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)C(=O)Nc1ccccc1C(C)C)CC2 ZINC000052636589 822805907 /nfs/dbraw/zinc/80/59/07/822805907.db2.gz RFEISUFLKNIPPB-INIZCTEOSA-N 1 2 382.504 4.213 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncnc3ccccc32)CC1 ZINC000052722626 822808440 /nfs/dbraw/zinc/80/84/40/822808440.db2.gz ILPIWRFIRRFWKV-HNNXBMFYSA-N 1 2 375.501 4.123 20 0 GIADLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncnc3ccccc32)CC1 ZINC000052722629 822808549 /nfs/dbraw/zinc/80/85/49/822808549.db2.gz ILPIWRFIRRFWKV-OAHLLOKOSA-N 1 2 375.501 4.123 20 0 GIADLO CN(C(=O)C[N@H+](C)Cc1ccc(Cl)nc1)C(c1ccccc1)c1ccccc1 ZINC000174591015 822809162 /nfs/dbraw/zinc/80/91/62/822809162.db2.gz OOEDDBFNRAGGBZ-UHFFFAOYSA-N 1 2 393.918 4.415 20 0 GIADLO CN(C(=O)C[N@@H+](C)Cc1ccc(Cl)nc1)C(c1ccccc1)c1ccccc1 ZINC000174591015 822809167 /nfs/dbraw/zinc/80/91/67/822809167.db2.gz OOEDDBFNRAGGBZ-UHFFFAOYSA-N 1 2 393.918 4.415 20 0 GIADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(OCc3ccccc3)cc2)on1 ZINC000052821712 822812074 /nfs/dbraw/zinc/81/20/74/822812074.db2.gz KFFVXWKIDIGLKO-NRFANRHFSA-N 1 2 391.471 4.338 20 0 GIADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(OCc3ccccc3)cc2)on1 ZINC000052821712 822812078 /nfs/dbraw/zinc/81/20/78/822812078.db2.gz KFFVXWKIDIGLKO-NRFANRHFSA-N 1 2 391.471 4.338 20 0 GIADLO O=C(COc1ccc(Cl)c2cccnc12)Nc1ccccc1-n1cc[nH+]c1 ZINC000052927339 822815869 /nfs/dbraw/zinc/81/58/69/822815869.db2.gz VUWIUVCRJYPTQL-UHFFFAOYSA-N 1 2 378.819 4.091 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)n2)c1 ZINC000174655310 822818532 /nfs/dbraw/zinc/81/85/32/822818532.db2.gz IQBZWUFLRGZCIK-AWEZNQCLSA-N 1 2 379.460 4.310 20 0 GIADLO COc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1OC(F)F ZINC000174668166 822821073 /nfs/dbraw/zinc/82/10/73/822821073.db2.gz NOXCXDGGLXPDFQ-LLVKDONJSA-N 1 2 393.365 4.337 20 0 GIADLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000053144251 822823450 /nfs/dbraw/zinc/82/34/50/822823450.db2.gz KXXXTYSZJDESSB-QWRGUYRKSA-N 1 2 386.348 4.456 20 0 GIADLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000053144251 822823452 /nfs/dbraw/zinc/82/34/52/822823452.db2.gz KXXXTYSZJDESSB-QWRGUYRKSA-N 1 2 386.348 4.456 20 0 GIADLO C[C@H](Sc1ccccc1Cl)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000053189091 822825652 /nfs/dbraw/zinc/82/56/52/822825652.db2.gz FJVSDVSYQKNNRO-AWEZNQCLSA-N 1 2 375.925 4.001 20 0 GIADLO Cc1cc(N2CCO[C@H](c3ccc(F)c(Br)c3)C2)nc(C2CC2)[nH+]1 ZINC000185862884 822828234 /nfs/dbraw/zinc/82/82/34/822828234.db2.gz WGPGCAYMJGTTCS-INIZCTEOSA-N 1 2 392.272 4.142 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1Cl)Nc1cccc(C(=O)NC2CC2)c1 ZINC000053278751 822828842 /nfs/dbraw/zinc/82/88/42/822828842.db2.gz PPNXCEVYXKZAOA-HXUWFJFHSA-N 1 2 397.906 4.008 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1Cl)Nc1cccc(C(=O)NC2CC2)c1 ZINC000053278751 822828844 /nfs/dbraw/zinc/82/88/44/822828844.db2.gz PPNXCEVYXKZAOA-HXUWFJFHSA-N 1 2 397.906 4.008 20 0 GIADLO CC(C)(c1ccc(F)cc1)C1(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000456767610 822829992 /nfs/dbraw/zinc/82/99/92/822829992.db2.gz IEAGSUOACJEQNA-UHFFFAOYSA-N 1 2 377.463 4.311 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000174760130 822833672 /nfs/dbraw/zinc/83/36/72/822833672.db2.gz ZZOBXSZIEWCOAS-RCZVLFRGSA-N 1 2 389.543 4.051 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1nc(C(F)(F)F)cs1 ZINC000185921734 822833688 /nfs/dbraw/zinc/83/36/88/822833688.db2.gz GDDDXCRRIZSZME-SNVBAGLBSA-N 1 2 379.354 4.120 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000456811728 822833690 /nfs/dbraw/zinc/83/36/90/822833690.db2.gz PTBJIKMTTGYWEU-UHFFFAOYSA-N 1 2 395.453 4.305 20 0 GIADLO Cc1csc(SCc2c3ccccc3oc2C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000174761172 822833803 /nfs/dbraw/zinc/83/38/03/822833803.db2.gz PFUHDXOQGXASIB-UHFFFAOYSA-N 1 2 398.513 4.186 20 0 GIADLO COc1ccc2c(c1)c(C(=O)NCCc1[nH]cc[nH+]1)c(C)n2C1CCCCC1 ZINC000174765396 822834253 /nfs/dbraw/zinc/83/42/53/822834253.db2.gz XNIVMFGMBUCNEI-UHFFFAOYSA-N 1 2 380.492 4.159 20 0 GIADLO Cc1cc(C)c(CNC(=O)Cc2ccc(OCCOc3ccccc3)cc2)c[nH+]1 ZINC000456834555 822836459 /nfs/dbraw/zinc/83/64/59/822836459.db2.gz HOOIHKKZFPCVIL-UHFFFAOYSA-N 1 2 390.483 4.015 20 0 GIADLO CC[C@H]([NH2+][C@H](C)C(=O)N(C)C1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185959874 822837626 /nfs/dbraw/zinc/83/76/26/822837626.db2.gz JXVZFUWUUOHSLC-YPMHNXCESA-N 1 2 377.476 4.382 20 0 GIADLO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185959892 822837655 /nfs/dbraw/zinc/83/76/55/822837655.db2.gz JXVZFUWUUOHSLC-DGCLKSJQSA-N 1 2 377.476 4.382 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185959862 822837665 /nfs/dbraw/zinc/83/76/65/822837665.db2.gz JXVZFUWUUOHSLC-WCQYABFASA-N 1 2 377.476 4.382 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1nc(C(F)(F)F)cs1 ZINC000185962171 822838120 /nfs/dbraw/zinc/83/81/20/822838120.db2.gz MBHUZLLIEIXKHR-GFCCVEGCSA-N 1 2 391.846 4.172 20 0 GIADLO Cc1cc(N)nc(SCC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)[nH+]1 ZINC000053562088 822840895 /nfs/dbraw/zinc/84/08/95/822840895.db2.gz RFTUWWRDFVJHQG-LJQANCHMSA-N 1 2 398.919 4.019 20 0 GIADLO Cc1noc(C2CC[NH+](Cc3csc(Cc4ccc(Cl)cc4)n3)CC2)n1 ZINC000053639476 822843495 /nfs/dbraw/zinc/84/34/95/822843495.db2.gz JSPVMIYIUQCAOV-UHFFFAOYSA-N 1 2 388.924 4.458 20 0 GIADLO CCOc1ccc(-c2nc(C[NH+]3CCC(c4nc(C)no4)CC3)cs2)cc1 ZINC000053639544 822843549 /nfs/dbraw/zinc/84/35/49/822843549.db2.gz ZEHFUDUBDXWTAM-UHFFFAOYSA-N 1 2 384.505 4.280 20 0 GIADLO CCSc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)ccn1 ZINC000053792600 822848128 /nfs/dbraw/zinc/84/81/28/822848128.db2.gz UJCFRANLMXSVEW-ZDUSSCGKSA-N 1 2 376.551 4.134 20 0 GIADLO CCSc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)ccn1 ZINC000053792600 822848129 /nfs/dbraw/zinc/84/81/29/822848129.db2.gz UJCFRANLMXSVEW-ZDUSSCGKSA-N 1 2 376.551 4.134 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C)cc3)CC2)c1 ZINC000053813221 822849060 /nfs/dbraw/zinc/84/90/60/822849060.db2.gz YBXVCMJKBFWZED-KRWDZBQOSA-N 1 2 380.488 4.129 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C)cc3)CC2)c1 ZINC000053813221 822849062 /nfs/dbraw/zinc/84/90/62/822849062.db2.gz YBXVCMJKBFWZED-KRWDZBQOSA-N 1 2 380.488 4.129 20 0 GIADLO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000457074891 822850387 /nfs/dbraw/zinc/85/03/87/822850387.db2.gz KLHWTKSOFCUBHY-GHTZIAJQSA-N 1 2 398.934 4.238 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000174912096 822854783 /nfs/dbraw/zinc/85/47/83/822854783.db2.gz IAGHEBFWYHVVAC-HXUWFJFHSA-N 1 2 393.531 4.103 20 0 GIADLO COc1cccc(F)c1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000186138450 822854865 /nfs/dbraw/zinc/85/48/65/822854865.db2.gz ULMZMBKLWRNZTN-IEBWSBKVSA-N 1 2 380.423 4.081 20 0 GIADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000568993797 822868104 /nfs/dbraw/zinc/86/81/04/822868104.db2.gz ZKRIFVANRIVHKJ-WOJBJXKFSA-N 1 2 395.890 4.185 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)Cc1cccs1 ZINC000175020228 822868667 /nfs/dbraw/zinc/86/86/67/822868667.db2.gz JMEYGMTXQSKHSL-QGZVFWFLSA-N 1 2 386.565 4.022 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21)c1c(F)cccc1Cl ZINC000175022970 822869166 /nfs/dbraw/zinc/86/91/66/822869166.db2.gz SHMWJDGENJFNIR-IIYDPXPESA-N 1 2 376.859 4.158 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2c(F)cccc2Cl)c1 ZINC000175025540 822869962 /nfs/dbraw/zinc/86/99/62/822869962.db2.gz CCTLXKOABBNUQY-VXGBXAGGSA-N 1 2 380.847 4.174 20 0 GIADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)c3ccc(OCC(F)(F)F)cc3)ccn12 ZINC000569016960 822870084 /nfs/dbraw/zinc/87/00/84/822870084.db2.gz HKRINBIRTQWIAU-ZDUSSCGKSA-N 1 2 377.366 4.075 20 0 GIADLO C[C@@H](CC(F)(F)F)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000457387096 822872024 /nfs/dbraw/zinc/87/20/24/822872024.db2.gz KDADRXKVAHBGDL-LBPRGKRZSA-N 1 2 383.439 4.228 20 0 GIADLO C[C@@H](CC(F)(F)F)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000457387096 822872027 /nfs/dbraw/zinc/87/20/27/822872027.db2.gz KDADRXKVAHBGDL-LBPRGKRZSA-N 1 2 383.439 4.228 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3cc(F)ccc3C)CC2)cc1 ZINC000054299939 822873948 /nfs/dbraw/zinc/87/39/48/822873948.db2.gz HAHYNDORCMZKMA-KRWDZBQOSA-N 1 2 382.479 4.364 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000186311618 822874599 /nfs/dbraw/zinc/87/45/99/822874599.db2.gz LEUMQNYCKZPPMD-QGZVFWFLSA-N 1 2 389.908 4.191 20 0 GIADLO C[N@H+](Cc1cc(-c2ccco2)on1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339315 822876946 /nfs/dbraw/zinc/87/69/46/822876946.db2.gz UMSLVURNNKTPRB-YJBOKZPZSA-N 1 2 379.243 4.332 20 0 GIADLO C[N@@H+](Cc1cc(-c2ccco2)on1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339315 822876950 /nfs/dbraw/zinc/87/69/50/822876950.db2.gz UMSLVURNNKTPRB-YJBOKZPZSA-N 1 2 379.243 4.332 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1c(C)cccc1C(C)C)C2 ZINC000054391374 822881148 /nfs/dbraw/zinc/88/11/48/822881148.db2.gz ZMVPZSZAJHVEHN-KRWDZBQOSA-N 1 2 393.531 4.462 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1c(C)cccc1C(C)C)C2 ZINC000054391374 822881152 /nfs/dbraw/zinc/88/11/52/822881152.db2.gz ZMVPZSZAJHVEHN-KRWDZBQOSA-N 1 2 393.531 4.462 20 0 GIADLO S=c1n(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)nc2n1CCCCC2 ZINC000054466208 822887808 /nfs/dbraw/zinc/88/78/08/822887808.db2.gz QKDTUYRLGUXVLK-HNNXBMFYSA-N 1 2 383.521 4.119 20 0 GIADLO S=c1n(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)nc2n1CCCCC2 ZINC000054466208 822887814 /nfs/dbraw/zinc/88/78/14/822887814.db2.gz QKDTUYRLGUXVLK-HNNXBMFYSA-N 1 2 383.521 4.119 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457554092 822890258 /nfs/dbraw/zinc/89/02/58/822890258.db2.gz JSFIKJZISLOXOZ-DOMZBBRYSA-N 1 2 376.850 4.241 20 0 GIADLO CCOc1c(F)cccc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000175139126 822890271 /nfs/dbraw/zinc/89/02/71/822890271.db2.gz ZHPVLFQYUJCTDO-HZPDHXFCSA-N 1 2 386.467 4.086 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457554092 822890263 /nfs/dbraw/zinc/89/02/63/822890263.db2.gz JSFIKJZISLOXOZ-DOMZBBRYSA-N 1 2 376.850 4.241 20 0 GIADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000175162681 822895568 /nfs/dbraw/zinc/89/55/68/822895568.db2.gz BTFLMPWJBPEZSA-HXUWFJFHSA-N 1 2 375.472 4.126 20 0 GIADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000175162681 822895571 /nfs/dbraw/zinc/89/55/71/822895571.db2.gz BTFLMPWJBPEZSA-HXUWFJFHSA-N 1 2 375.472 4.126 20 0 GIADLO CN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000457612318 822897255 /nfs/dbraw/zinc/89/72/55/822897255.db2.gz VOBBXQAKSYZEGD-LEWJYISDSA-N 1 2 378.520 4.160 20 0 GIADLO CCC[N@H+](Cc1csc([C@@H](C)OC)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000175182266 822899273 /nfs/dbraw/zinc/89/92/73/822899273.db2.gz BERYGRPDTZJRSD-GDBMZVCRSA-N 1 2 383.558 4.072 20 0 GIADLO CCC[N@@H+](Cc1csc([C@@H](C)OC)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000175182266 822899280 /nfs/dbraw/zinc/89/92/80/822899280.db2.gz BERYGRPDTZJRSD-GDBMZVCRSA-N 1 2 383.558 4.072 20 0 GIADLO c1cn(Cc2cccc(-c3nc([C@H]4CSc5ccccc5O4)no3)c2)c[nH+]1 ZINC000569272740 822899279 /nfs/dbraw/zinc/89/92/79/822899279.db2.gz FOJYFSZMKKCZAD-QGZVFWFLSA-N 1 2 376.441 4.207 20 0 GIADLO COC1CC[NH+](CC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1 ZINC000054619918 822899607 /nfs/dbraw/zinc/89/96/07/822899607.db2.gz DYRDAPRTPRJOMY-UHFFFAOYSA-N 1 2 387.549 4.157 20 0 GIADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2Cc3ccc(OC)cc3C3(CC3)C2)c1C ZINC000569276252 822900143 /nfs/dbraw/zinc/90/01/43/822900143.db2.gz APVFMGYBFJRYQF-QGZVFWFLSA-N 1 2 396.531 4.051 20 0 GIADLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2Cc3ccc(OC)cc3C3(CC3)C2)c1C ZINC000569276252 822900145 /nfs/dbraw/zinc/90/01/45/822900145.db2.gz APVFMGYBFJRYQF-QGZVFWFLSA-N 1 2 396.531 4.051 20 0 GIADLO CC(C)[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1nc(-c2cccnc2)no1 ZINC000569293628 822902913 /nfs/dbraw/zinc/90/29/13/822902913.db2.gz LUDRLDHZHQMRPO-MRXNPFEDSA-N 1 2 392.381 4.343 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3nc4ccc(OC)cc4s3)CC2)cc1 ZINC000186494446 822904645 /nfs/dbraw/zinc/90/46/45/822904645.db2.gz UKYGKFCLUNJGOL-UHFFFAOYSA-N 1 2 396.512 4.408 20 0 GIADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457678669 822905579 /nfs/dbraw/zinc/90/55/79/822905579.db2.gz ORMDKEMLMGXXQA-HDMKZQKVSA-N 1 2 394.441 4.192 20 0 GIADLO CCOc1c(Br)cc(Cl)cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000569344425 822909738 /nfs/dbraw/zinc/90/97/38/822909738.db2.gz KLXJGJIMBYRXKL-JTQLQIEISA-N 1 2 386.677 4.288 20 0 GIADLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Br)s1 ZINC000175247480 822913399 /nfs/dbraw/zinc/91/33/99/822913399.db2.gz PIQGBVUZDHAXEQ-NEPJUHHUSA-N 1 2 382.327 4.200 20 0 GIADLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Br)c(C)c2)s1 ZINC000175249456 822913924 /nfs/dbraw/zinc/91/39/24/822913924.db2.gz KQGPCYHTNIXMNW-NEPJUHHUSA-N 1 2 382.327 4.200 20 0 GIADLO Cc1cccn2cc(Cc3noc(-c4ccccc4OCc4ccncc4)n3)[nH+]c12 ZINC000569388666 822914959 /nfs/dbraw/zinc/91/49/59/822914959.db2.gz APZRULDCIHIZRF-UHFFFAOYSA-N 1 2 397.438 4.258 20 0 GIADLO CN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000457761558 822915985 /nfs/dbraw/zinc/91/59/85/822915985.db2.gz AYXHAZSGXWUFDW-XZOQPEGZSA-N 1 2 388.515 4.409 20 0 GIADLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)Nc1cccc(SC)c1)C2 ZINC000569395520 822916247 /nfs/dbraw/zinc/91/62/47/822916247.db2.gz AQLGFIVUJXTFRF-OAHLLOKOSA-N 1 2 382.529 4.292 20 0 GIADLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)Nc1cccc(SC)c1)C2 ZINC000569395520 822916249 /nfs/dbraw/zinc/91/62/49/822916249.db2.gz AQLGFIVUJXTFRF-OAHLLOKOSA-N 1 2 382.529 4.292 20 0 GIADLO Oc1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc(C(F)(F)F)c1 ZINC000569399565 822916798 /nfs/dbraw/zinc/91/67/98/822916798.db2.gz VYYQNNHBDLJKOF-ZDUSSCGKSA-N 1 2 393.331 4.463 20 0 GIADLO Oc1cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc(C(F)(F)F)c1 ZINC000569399565 822916800 /nfs/dbraw/zinc/91/68/00/822916800.db2.gz VYYQNNHBDLJKOF-ZDUSSCGKSA-N 1 2 393.331 4.463 20 0 GIADLO CC(=O)N(c1nc(CSc2nc(N)cc(C)[nH+]2)cs1)c1ccc(C)cc1 ZINC000054914944 822921316 /nfs/dbraw/zinc/92/13/16/822921316.db2.gz LZZJTNVHGDYWTH-UHFFFAOYSA-N 1 2 385.518 4.109 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cc(Br)cc(F)c1O ZINC000186600656 822921742 /nfs/dbraw/zinc/92/17/42/822921742.db2.gz ADSFKKCKLAZTPG-NSHDSACASA-N 1 2 382.273 4.372 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC(c2ccsc2)CC1 ZINC000186608636 822923096 /nfs/dbraw/zinc/92/30/96/822923096.db2.gz ULISXIJZDPANFB-UHFFFAOYSA-N 1 2 384.549 4.223 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2ccc(N3CCCC3=O)cc2)no1)c1ccc(Cl)cc1 ZINC000569473073 822926996 /nfs/dbraw/zinc/92/69/96/822926996.db2.gz UXIYREPYTYLHCI-LJQANCHMSA-N 1 2 396.878 4.168 20 0 GIADLO CCCc1nc(C)c(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000569474933 822927479 /nfs/dbraw/zinc/92/74/79/822927479.db2.gz CRDGNRMZLUUNLC-HNNXBMFYSA-N 1 2 387.553 4.348 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2nc(C3CC3)nn2C)ccc1OCc1ccccc1 ZINC000569481280 822928225 /nfs/dbraw/zinc/92/82/25/822928225.db2.gz BWDNKLKOOOYWJC-MRXNPFEDSA-N 1 2 392.503 4.131 20 0 GIADLO Cn1c[nH+]c(CCNC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)c1 ZINC000457885226 822928686 /nfs/dbraw/zinc/92/86/86/822928686.db2.gz PUFMDJYKYWTYMY-UHFFFAOYSA-N 1 2 396.560 4.272 20 0 GIADLO Cc1ccc([C@H](OC[C@H](O)C[N@@H+](C)Cc2nccs2)c2ccccc2)cc1 ZINC000175301959 822929416 /nfs/dbraw/zinc/92/94/16/822929416.db2.gz VNQVFWQOVPYTHB-IFMALSPDSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1ccc([C@H](OC[C@H](O)C[N@H+](C)Cc2nccs2)c2ccccc2)cc1 ZINC000175301959 822929419 /nfs/dbraw/zinc/92/94/19/822929419.db2.gz VNQVFWQOVPYTHB-IFMALSPDSA-N 1 2 382.529 4.050 20 0 GIADLO O=C(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccccc1Cc1ccccc1 ZINC000186687371 822937387 /nfs/dbraw/zinc/93/73/87/822937387.db2.gz WTQHYEPYUUJDCA-AREMUKBSSA-N 1 2 398.506 4.347 20 0 GIADLO O=C(C[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccccc1Cc1ccccc1 ZINC000186687371 822937391 /nfs/dbraw/zinc/93/73/91/822937391.db2.gz WTQHYEPYUUJDCA-AREMUKBSSA-N 1 2 398.506 4.347 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000175347836 822941413 /nfs/dbraw/zinc/94/14/13/822941413.db2.gz ZDWJNDPWOGXYQB-JOCHJYFZSA-N 1 2 390.531 4.433 20 0 GIADLO CCOc1ccc(Oc2ccc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)cc2)cc1 ZINC000569637554 822948595 /nfs/dbraw/zinc/94/85/95/822948595.db2.gz PVKBKDCDONZUIW-INIZCTEOSA-N 1 2 377.444 4.275 20 0 GIADLO CC(C)c1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](c4n[nH]c(=O)[nH]4)C3)s2)cc1 ZINC000569763506 822965185 /nfs/dbraw/zinc/96/51/85/822965185.db2.gz DHGLIDODOSWEPD-MRXNPFEDSA-N 1 2 383.521 4.137 20 0 GIADLO CC(C)c1ccc(-c2ncc(C[N@H+]3CCC[C@@H](c4n[nH]c(=O)[nH]4)C3)s2)cc1 ZINC000569763506 822965187 /nfs/dbraw/zinc/96/51/87/822965187.db2.gz DHGLIDODOSWEPD-MRXNPFEDSA-N 1 2 383.521 4.137 20 0 GIADLO CC(C)C(=O)c1ccc([C@@H](C)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000569791475 822969646 /nfs/dbraw/zinc/96/96/46/822969646.db2.gz NBRNQBSTKJCGGL-QGZVFWFLSA-N 1 2 375.472 4.131 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cnn(CC(C)C)c3C3CC3)cn2c1 ZINC000569842739 822975125 /nfs/dbraw/zinc/97/51/25/822975125.db2.gz MZMXUNXZTYMZJT-UHFFFAOYSA-N 1 2 397.548 4.245 20 0 GIADLO CCC[N@H+](Cc1ccccc1O)Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000186922210 822980592 /nfs/dbraw/zinc/98/05/92/822980592.db2.gz ZJCHQLHEUYBBEJ-UHFFFAOYSA-N 1 2 381.925 4.251 20 0 GIADLO CCC[N@@H+](Cc1ccccc1O)Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000186922210 822980597 /nfs/dbraw/zinc/98/05/97/822980597.db2.gz ZJCHQLHEUYBBEJ-UHFFFAOYSA-N 1 2 381.925 4.251 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000186925752 822981283 /nfs/dbraw/zinc/98/12/83/822981283.db2.gz NNGQPTBHUCVORU-MRXNPFEDSA-N 1 2 393.936 4.132 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000186925752 822981288 /nfs/dbraw/zinc/98/12/88/822981288.db2.gz NNGQPTBHUCVORU-MRXNPFEDSA-N 1 2 393.936 4.132 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)NCC3CC(c4ccccc4)C3)cn2c1 ZINC000569943794 822988333 /nfs/dbraw/zinc/98/83/33/822988333.db2.gz IEBHHFHSAUGKDB-UHFFFAOYSA-N 1 2 379.529 4.186 20 0 GIADLO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ncc(Br)cc1F ZINC000186976468 822990716 /nfs/dbraw/zinc/99/07/16/822990716.db2.gz VPGZQMTUCHGYEH-GFCCVEGCSA-N 1 2 375.245 4.020 20 0 GIADLO COc1cc(Cl)c(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)cc1Cl ZINC000569968705 822990920 /nfs/dbraw/zinc/99/09/20/822990920.db2.gz KWMXTCHVSIWYSU-CQSZACIVSA-N 1 2 385.291 4.398 20 0 GIADLO COc1cc(Cl)c(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)cc1Cl ZINC000569968705 822990922 /nfs/dbraw/zinc/99/09/22/822990922.db2.gz KWMXTCHVSIWYSU-CQSZACIVSA-N 1 2 385.291 4.398 20 0 GIADLO COc1ccccc1[C@@H](C)CC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000175554593 822996272 /nfs/dbraw/zinc/99/62/72/822996272.db2.gz VQJOYRUSDHNMNL-ZWKOTPCHSA-N 1 2 384.495 4.233 20 0 GIADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccn2Cc2cccs2)CC1 ZINC000175558538 822997202 /nfs/dbraw/zinc/99/72/02/822997202.db2.gz RDVIARZYQYCKSP-QGZVFWFLSA-N 1 2 397.519 4.256 20 0 GIADLO COc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)c(Br)c1O ZINC000570092373 823005114 /nfs/dbraw/zinc/00/51/14/823005114.db2.gz LQZSGXKNVFSKAM-UHFFFAOYSA-N 1 2 398.341 4.477 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)n1 ZINC000175627124 823009281 /nfs/dbraw/zinc/00/92/81/823009281.db2.gz CQCJRPBSUBOAMC-UHFFFAOYSA-N 1 2 380.467 4.184 20 0 GIADLO CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000570183003 823013000 /nfs/dbraw/zinc/01/30/00/823013000.db2.gz SEODBVHZTOPANE-NRFANRHFSA-N 1 2 392.421 4.263 20 0 GIADLO CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000570183003 823013003 /nfs/dbraw/zinc/01/30/03/823013003.db2.gz SEODBVHZTOPANE-NRFANRHFSA-N 1 2 392.421 4.263 20 0 GIADLO O=C(NC1CCCCC1)NC1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000570208873 823015371 /nfs/dbraw/zinc/01/53/71/823015371.db2.gz KXKPQFPKJWHJBU-UHFFFAOYSA-N 1 2 399.457 4.007 20 0 GIADLO COCC1CC[NH+](Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)CC1 ZINC000175669390 823016711 /nfs/dbraw/zinc/01/67/11/823016711.db2.gz MHPDDUQAIPQOBT-UHFFFAOYSA-N 1 2 393.940 4.340 20 0 GIADLO COc1ccc(-c2ccncc2)cc1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000187148993 823017776 /nfs/dbraw/zinc/01/77/76/823017776.db2.gz RDGYTWUCEMZNNM-UHFFFAOYSA-N 1 2 389.499 4.330 20 0 GIADLO Cc1ccc(C[S@@](=O)Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c(C)[nH+]1 ZINC000187178915 823021374 /nfs/dbraw/zinc/02/13/74/823021374.db2.gz GJEJYDBTCGNAPD-RUZDIDTESA-N 1 2 395.315 4.035 20 0 GIADLO CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000187247287 823030050 /nfs/dbraw/zinc/03/00/50/823030050.db2.gz RHGXJZGETMDZBH-KSSFIOAISA-N 1 2 376.888 4.439 20 0 GIADLO Cc1cc(Cl)ccc1OCCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000570369533 823030300 /nfs/dbraw/zinc/03/03/00/823030300.db2.gz RMQVIDXUEGZWSO-UHFFFAOYSA-N 1 2 397.906 4.021 20 0 GIADLO CC(=O)N(c1nc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cs1)C1CC1 ZINC000175751119 823031617 /nfs/dbraw/zinc/03/16/17/823031617.db2.gz LXITWRCAPIKSHS-LLVKDONJSA-N 1 2 399.438 4.408 20 0 GIADLO CC[C@@H](CN(CC)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000187278571 823035881 /nfs/dbraw/zinc/03/58/81/823035881.db2.gz SZDIYWHBABBHLS-FQEVSTJZSA-N 1 2 380.536 4.407 20 0 GIADLO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437913 823038354 /nfs/dbraw/zinc/03/83/54/823038354.db2.gz HYEOQRJPNLPWIU-GDIGMMSISA-N 1 2 382.508 4.440 20 0 GIADLO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437913 823038355 /nfs/dbraw/zinc/03/83/55/823038355.db2.gz HYEOQRJPNLPWIU-GDIGMMSISA-N 1 2 382.508 4.440 20 0 GIADLO C[C@@H](OC1CCCCCC1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000570439385 823038895 /nfs/dbraw/zinc/03/88/95/823038895.db2.gz VNDJLGTVSOYYBJ-OAHLLOKOSA-N 1 2 375.900 4.270 20 0 GIADLO COc1ccc(-c2ccncc2)cc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000187317390 823042642 /nfs/dbraw/zinc/04/26/42/823042642.db2.gz DQOQIDHVRCOQAL-UHFFFAOYSA-N 1 2 389.499 4.202 20 0 GIADLO COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000190158634 823544282 /nfs/dbraw/zinc/54/42/82/823544282.db2.gz FRSYGTAPDDZBBK-ICSRJNTNSA-N 1 2 379.460 4.016 20 0 GIADLO COc1ccccc1-c1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000190158634 823544283 /nfs/dbraw/zinc/54/42/83/823544283.db2.gz FRSYGTAPDDZBBK-ICSRJNTNSA-N 1 2 379.460 4.016 20 0 GIADLO Cn1c(COc2ccccc2)nn(C[N@H+](C)[C@@H]2CCc3ccccc32)c1=S ZINC000177916203 823545818 /nfs/dbraw/zinc/54/58/18/823545818.db2.gz OYZNTSYHOCYICC-LJQANCHMSA-N 1 2 380.517 4.107 20 0 GIADLO Cn1c(COc2ccccc2)nn(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1=S ZINC000177916203 823545822 /nfs/dbraw/zinc/54/58/22/823545822.db2.gz OYZNTSYHOCYICC-LJQANCHMSA-N 1 2 380.517 4.107 20 0 GIADLO O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060603449 823547213 /nfs/dbraw/zinc/54/72/13/823547213.db2.gz XHWAZRKDNFYRGB-UHFFFAOYSA-N 1 2 382.467 4.283 20 0 GIADLO CN(CC1(c2ccccc2)CC1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000190186098 823547975 /nfs/dbraw/zinc/54/79/75/823547975.db2.gz AGHXMDROLMWMBR-UHFFFAOYSA-N 1 2 390.487 4.158 20 0 GIADLO O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060613648 823548190 /nfs/dbraw/zinc/54/81/90/823548190.db2.gz JUSOUCAQHKTMEQ-UHFFFAOYSA-N 1 2 392.459 4.370 20 0 GIADLO COc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000123890595 823549506 /nfs/dbraw/zinc/54/95/06/823549506.db2.gz XOBITDFCQMRXLP-VGSWGCGISA-N 1 2 390.487 4.359 20 0 GIADLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2OC(F)F)CC[C@@H]1C(F)(F)F ZINC000190208075 823550815 /nfs/dbraw/zinc/55/08/15/823550815.db2.gz IVGDTOPSJKXGON-ZDUSSCGKSA-N 1 2 380.357 4.137 20 0 GIADLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2OC(F)F)CC[C@@H]1C(F)(F)F ZINC000190208075 823550819 /nfs/dbraw/zinc/55/08/19/823550819.db2.gz IVGDTOPSJKXGON-ZDUSSCGKSA-N 1 2 380.357 4.137 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000123968606 823556471 /nfs/dbraw/zinc/55/64/71/823556471.db2.gz VJURIZLTPAYYQE-GFCCVEGCSA-N 1 2 384.427 4.073 20 0 GIADLO CC(C)c1ncc(Cl)c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)n1 ZINC000123970989 823556689 /nfs/dbraw/zinc/55/66/89/823556689.db2.gz CXSBIMXIZHELGD-LBPRGKRZSA-N 1 2 393.944 4.194 20 0 GIADLO CC(C)c1ncc(Cl)c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)n1 ZINC000123970989 823556693 /nfs/dbraw/zinc/55/66/93/823556693.db2.gz CXSBIMXIZHELGD-LBPRGKRZSA-N 1 2 393.944 4.194 20 0 GIADLO Cc1nn(-c2ccc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)c(C)c1Cl ZINC000123994891 823558444 /nfs/dbraw/zinc/55/84/44/823558444.db2.gz USKRHPQXMSZJTD-KUHUBIRLSA-N 1 2 397.910 4.062 20 0 GIADLO C[C@@H](NC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000190295530 823559987 /nfs/dbraw/zinc/55/99/87/823559987.db2.gz PPYRUVACQIJTNR-AGHHOFFYSA-N 1 2 390.487 4.010 20 0 GIADLO C[N@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)CC(C)(C)S(C)(=O)=O ZINC000124021299 823560633 /nfs/dbraw/zinc/56/06/33/823560633.db2.gz GIGRGCSSNJMBMJ-UHFFFAOYSA-N 1 2 383.460 4.012 20 0 GIADLO C[N@@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)CC(C)(C)S(C)(=O)=O ZINC000124021299 823560634 /nfs/dbraw/zinc/56/06/34/823560634.db2.gz GIGRGCSSNJMBMJ-UHFFFAOYSA-N 1 2 383.460 4.012 20 0 GIADLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccccc3Cl)CCCCCC2)no1 ZINC000411351733 823565996 /nfs/dbraw/zinc/56/59/96/823565996.db2.gz ORQANNSDRCWPGZ-UHFFFAOYSA-N 1 2 376.888 4.199 20 0 GIADLO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000190406177 823569912 /nfs/dbraw/zinc/56/99/12/823569912.db2.gz UDAWGZCTPLPQIH-QGZVFWFLSA-N 1 2 388.371 4.191 20 0 GIADLO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000190406177 823569913 /nfs/dbraw/zinc/56/99/13/823569913.db2.gz UDAWGZCTPLPQIH-QGZVFWFLSA-N 1 2 388.371 4.191 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)c(C)[nH+]1 ZINC000411398930 823570253 /nfs/dbraw/zinc/57/02/53/823570253.db2.gz KHUUROQKMSSXQV-UHFFFAOYSA-N 1 2 395.503 4.433 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCSC[C@H](C)C2)cs1)c1ccc(C)cc1 ZINC000190413448 823570513 /nfs/dbraw/zinc/57/05/13/823570513.db2.gz OYQPWXBZHRRDEI-OAHLLOKOSA-N 1 2 375.563 4.321 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCSC[C@H](C)C2)cs1)c1ccc(C)cc1 ZINC000190413448 823570517 /nfs/dbraw/zinc/57/05/17/823570517.db2.gz OYQPWXBZHRRDEI-OAHLLOKOSA-N 1 2 375.563 4.321 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCSC[C@H](C)C2)cs1)c1ccc(F)cc1 ZINC000190415443 823570722 /nfs/dbraw/zinc/57/07/22/823570722.db2.gz JARVYZHHLWHGHP-CYBMUJFWSA-N 1 2 379.526 4.152 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCSC[C@H](C)C2)cs1)c1ccc(F)cc1 ZINC000190415443 823570725 /nfs/dbraw/zinc/57/07/25/823570725.db2.gz JARVYZHHLWHGHP-CYBMUJFWSA-N 1 2 379.526 4.152 20 0 GIADLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000190431647 823572884 /nfs/dbraw/zinc/57/28/84/823572884.db2.gz XNTVSLMYZWMISC-NSHDSACASA-N 1 2 391.313 4.112 20 0 GIADLO CCCCCOc1ccc([C@@H](C)[NH2+]Cc2nc(N)c3ccccc3n2)cc1OC ZINC000411444065 823574842 /nfs/dbraw/zinc/57/48/42/823574842.db2.gz DMSSEVFYECIWPH-MRXNPFEDSA-N 1 2 394.519 4.471 20 0 GIADLO CCc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)nc1 ZINC000411451685 823576258 /nfs/dbraw/zinc/57/62/58/823576258.db2.gz IAZHAMFQPCNMQS-LBPRGKRZSA-N 1 2 377.282 4.029 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)CCCc3ccc(C)cc3)CCCC2)no1 ZINC000124229246 823579272 /nfs/dbraw/zinc/57/92/72/823579272.db2.gz WUJWYYFYHDBVIQ-UHFFFAOYSA-N 1 2 398.551 4.128 20 0 GIADLO C[N@H+](Cc1ccccn1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190510464 823582484 /nfs/dbraw/zinc/58/24/84/823582484.db2.gz DCTSVBBXMJSFIH-KRWDZBQOSA-N 1 2 391.309 4.034 20 0 GIADLO C[N@@H+](Cc1ccccn1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190510464 823582487 /nfs/dbraw/zinc/58/24/87/823582487.db2.gz DCTSVBBXMJSFIH-KRWDZBQOSA-N 1 2 391.309 4.034 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000411521348 823584337 /nfs/dbraw/zinc/58/43/37/823584337.db2.gz YIMCBEVZIJBYHI-ZDUSSCGKSA-N 1 2 389.418 4.000 20 0 GIADLO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c1C ZINC000411532980 823585531 /nfs/dbraw/zinc/58/55/31/823585531.db2.gz NFVRUMJFERMJGB-CQSZACIVSA-N 1 2 397.500 4.075 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cc(F)cc(F)c2Br)C[C@H]1n1cc[nH+]c1 ZINC000190644577 823594668 /nfs/dbraw/zinc/59/46/68/823594668.db2.gz QZCGCGLECBCIBQ-QMTHXVAHSA-N 1 2 399.239 4.039 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000124439393 823596758 /nfs/dbraw/zinc/59/67/58/823596758.db2.gz LGUQQBJJGOOFLU-UHFFFAOYSA-N 1 2 388.537 4.376 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3OC(C)C)CC2)cc1 ZINC000061501019 823599928 /nfs/dbraw/zinc/59/99/28/823599928.db2.gz MOFRPLKZUWIREK-UHFFFAOYSA-N 1 2 397.519 4.222 20 0 GIADLO COc1ccc([C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)c2nccn2C)cc1 ZINC000190739143 823603780 /nfs/dbraw/zinc/60/37/80/823603780.db2.gz VGZKHZQLGYTUKR-JOCHJYFZSA-N 1 2 377.488 4.097 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000124561245 823606540 /nfs/dbraw/zinc/60/65/40/823606540.db2.gz AQHVEMNVAOVDJL-IIVZCXTMSA-N 1 2 377.410 4.115 20 0 GIADLO C/C(=C/C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1C(F)(F)F ZINC000124607255 823610589 /nfs/dbraw/zinc/61/05/89/823610589.db2.gz RGYGGWSIWHXECG-MEMPGGEMSA-N 1 2 377.410 4.415 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000411838642 823610810 /nfs/dbraw/zinc/61/08/10/823610810.db2.gz YZHSVLLMRVZMCZ-WOJBJXKFSA-N 1 2 379.504 4.130 20 0 GIADLO COCC[N@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)Cc1ccccc1 ZINC000061780577 823613973 /nfs/dbraw/zinc/61/39/73/823613973.db2.gz VOMQIGGZLDWCSF-UHFFFAOYSA-N 1 2 398.528 4.476 20 0 GIADLO COCC[N@@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)Cc1ccccc1 ZINC000061780577 823613975 /nfs/dbraw/zinc/61/39/75/823613975.db2.gz VOMQIGGZLDWCSF-UHFFFAOYSA-N 1 2 398.528 4.476 20 0 GIADLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)Cc1ccc(Br)s1 ZINC000061800806 823615541 /nfs/dbraw/zinc/61/55/41/823615541.db2.gz DUUBOWQDNDIYMN-LBPRGKRZSA-N 1 2 399.329 4.129 20 0 GIADLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000061800806 823615542 /nfs/dbraw/zinc/61/55/42/823615542.db2.gz DUUBOWQDNDIYMN-LBPRGKRZSA-N 1 2 399.329 4.129 20 0 GIADLO O=C(NCc1csc2ccccc12)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000061913808 823618282 /nfs/dbraw/zinc/61/82/82/823618282.db2.gz NRVZTJYDTHKKMZ-UHFFFAOYSA-N 1 2 376.485 4.146 20 0 GIADLO Cc1cc(C)c(Br)c(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000124707613 823619555 /nfs/dbraw/zinc/61/95/55/823619555.db2.gz HFYTWBCHJZKOQS-UHFFFAOYSA-N 1 2 376.298 4.083 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411997303 823619602 /nfs/dbraw/zinc/61/96/02/823619602.db2.gz IEMNOWCBRWNYMD-OAQYLSRUSA-N 1 2 384.907 4.441 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411997303 823619605 /nfs/dbraw/zinc/61/96/05/823619605.db2.gz IEMNOWCBRWNYMD-OAQYLSRUSA-N 1 2 384.907 4.441 20 0 GIADLO Cc1cc(-c2nnc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)o2)c(C)o1 ZINC000411998000 823619848 /nfs/dbraw/zinc/61/98/48/823619848.db2.gz JYMSLQYTFKAXAU-HXUWFJFHSA-N 1 2 379.460 4.300 20 0 GIADLO Cc1cc(-c2nnc(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)o2)c(C)o1 ZINC000411998000 823619850 /nfs/dbraw/zinc/61/98/50/823619850.db2.gz JYMSLQYTFKAXAU-HXUWFJFHSA-N 1 2 379.460 4.300 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(F)c1 ZINC000412002956 823620857 /nfs/dbraw/zinc/62/08/57/823620857.db2.gz VPTJQGIRSGGPHT-LAUBAEHRSA-N 1 2 382.479 4.315 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(F)c1 ZINC000412002956 823620858 /nfs/dbraw/zinc/62/08/58/823620858.db2.gz VPTJQGIRSGGPHT-LAUBAEHRSA-N 1 2 382.479 4.315 20 0 GIADLO CC[N@H+](Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CC(C)(C)C1 ZINC000412042338 823624158 /nfs/dbraw/zinc/62/41/58/823624158.db2.gz UYQSZYFOLKZJCD-UHFFFAOYSA-N 1 2 378.563 4.224 20 0 GIADLO CC[N@@H+](Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CC(C)(C)C1 ZINC000412042338 823624160 /nfs/dbraw/zinc/62/41/60/823624160.db2.gz UYQSZYFOLKZJCD-UHFFFAOYSA-N 1 2 378.563 4.224 20 0 GIADLO Cc1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c(OCC2CC2)c1 ZINC000124804093 823627550 /nfs/dbraw/zinc/62/75/50/823627550.db2.gz MYXVXIVNUAEOAC-JOCHJYFZSA-N 1 2 382.479 4.032 20 0 GIADLO CC[N@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)[C@H](C)CS(C)(=O)=O ZINC000124894992 823634466 /nfs/dbraw/zinc/63/44/66/823634466.db2.gz TXQLTEBYZNXRGT-CQSZACIVSA-N 1 2 383.460 4.012 20 0 GIADLO CC[N@@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)[C@H](C)CS(C)(=O)=O ZINC000124894992 823634467 /nfs/dbraw/zinc/63/44/67/823634467.db2.gz TXQLTEBYZNXRGT-CQSZACIVSA-N 1 2 383.460 4.012 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1C(C)C ZINC000124904487 823635533 /nfs/dbraw/zinc/63/55/33/823635533.db2.gz IRZLIGVNWJDURJ-UHFFFAOYSA-N 1 2 394.475 4.177 20 0 GIADLO COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000412204920 823635591 /nfs/dbraw/zinc/63/55/91/823635591.db2.gz PDWCEYCUJIEBNV-BHDDXSALSA-N 1 2 389.499 4.170 20 0 GIADLO COc1ccc2cc([C@H](C)C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000125009332 823644609 /nfs/dbraw/zinc/64/46/09/823644609.db2.gz BJRJAQAMBADSAS-JLHGSKIFSA-N 1 2 377.488 4.258 20 0 GIADLO CCN(C)c1ccc(C[N@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)cn1 ZINC000191173799 823656255 /nfs/dbraw/zinc/65/62/55/823656255.db2.gz ZJSFFNSSUYOUFT-UHFFFAOYSA-N 1 2 394.441 4.017 20 0 GIADLO CCN(C)c1ccc(C[N@@H+](CC)CC(=O)Nc2ccccc2C(F)(F)F)cn1 ZINC000191173799 823656256 /nfs/dbraw/zinc/65/62/56/823656256.db2.gz ZJSFFNSSUYOUFT-UHFFFAOYSA-N 1 2 394.441 4.017 20 0 GIADLO C[N@H+](Cc1cncs1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000191191132 823657953 /nfs/dbraw/zinc/65/79/53/823657953.db2.gz RHNDZISPUZOBMT-AWEZNQCLSA-N 1 2 397.338 4.095 20 0 GIADLO C[N@@H+](Cc1cncs1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000191191132 823657954 /nfs/dbraw/zinc/65/79/54/823657954.db2.gz RHNDZISPUZOBMT-AWEZNQCLSA-N 1 2 397.338 4.095 20 0 GIADLO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191255145 823663896 /nfs/dbraw/zinc/66/38/96/823663896.db2.gz PXVLBHLZNWLWHL-UHFFFAOYSA-N 1 2 395.837 4.110 20 0 GIADLO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000191279405 823666774 /nfs/dbraw/zinc/66/67/74/823666774.db2.gz XTLQOTHFAAJKDY-IAQYHMDHSA-N 1 2 383.279 4.314 20 0 GIADLO NC(Cc1ccccc1)=[NH+]OCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000063455828 823672564 /nfs/dbraw/zinc/67/25/64/823672564.db2.gz VIMCIAROKCPRSL-UHFFFAOYSA-N 1 2 377.231 4.075 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(Cl)c1 ZINC000063492003 823675760 /nfs/dbraw/zinc/67/57/60/823675760.db2.gz CJEWEQGTNWFWHC-KKSFZXQISA-N 1 2 386.923 4.421 20 0 GIADLO Cc1noc(C)c1C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000063550154 823678895 /nfs/dbraw/zinc/67/88/95/823678895.db2.gz OWGGXZZZQWPPTC-UHFFFAOYSA-N 1 2 379.291 4.441 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000125510182 823681726 /nfs/dbraw/zinc/68/17/26/823681726.db2.gz BCQVPSCSVCWUBT-UHFFFAOYSA-N 1 2 395.890 4.268 20 0 GIADLO Cc1nc2cc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)ccc2n1-c1ccccc1 ZINC000125542975 823683955 /nfs/dbraw/zinc/68/39/55/823683955.db2.gz DXCVFQATRXOTAU-GAJHUEQPSA-N 1 2 399.498 4.254 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCOc2cccc(Cl)c2)n1 ZINC000191451706 823686699 /nfs/dbraw/zinc/68/66/99/823686699.db2.gz GTARAEOEOIZIRZ-INIZCTEOSA-N 1 2 380.897 4.189 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCOc2cccc(Cl)c2)n1 ZINC000191451706 823686700 /nfs/dbraw/zinc/68/67/00/823686700.db2.gz GTARAEOEOIZIRZ-INIZCTEOSA-N 1 2 380.897 4.189 20 0 GIADLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000125592413 823688232 /nfs/dbraw/zinc/68/82/32/823688232.db2.gz RQYLLUVCVBWGQB-FQEVSTJZSA-N 1 2 377.492 4.015 20 0 GIADLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nnnn2-c2c(C)cccc2C)cc1 ZINC000125592413 823688237 /nfs/dbraw/zinc/68/82/37/823688237.db2.gz RQYLLUVCVBWGQB-FQEVSTJZSA-N 1 2 377.492 4.015 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(Sc3ccccn3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000125597054 823688765 /nfs/dbraw/zinc/68/87/65/823688765.db2.gz GFBDKJDBRKXILY-QFBILLFUSA-N 1 2 378.501 4.153 20 0 GIADLO Cc1ccc(Sc2ncccc2C(=O)NCCNc2cccc[nH+]2)cc1C ZINC000063705675 823690119 /nfs/dbraw/zinc/69/01/19/823690119.db2.gz CHAIWQTUESGJAF-UHFFFAOYSA-N 1 2 378.501 4.087 20 0 GIADLO O=C(COc1ccc(-c2ccccc2)cc1Cl)NCCNc1cccc[nH+]1 ZINC000063706407 823690375 /nfs/dbraw/zinc/69/03/75/823690375.db2.gz QSCFXCDFWAIGFL-UHFFFAOYSA-N 1 2 381.863 4.009 20 0 GIADLO CCCC[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccccc1F ZINC000063755030 823693799 /nfs/dbraw/zinc/69/37/99/823693799.db2.gz VLUSBHGZQKSMDL-FQEVSTJZSA-N 1 2 397.538 4.071 20 0 GIADLO CCCC[N@@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccccc1F ZINC000063755030 823693801 /nfs/dbraw/zinc/69/38/01/823693801.db2.gz VLUSBHGZQKSMDL-FQEVSTJZSA-N 1 2 397.538 4.071 20 0 GIADLO Clc1sc(CNc2ccc[nH+]c2N2CCOCC2)cc1Br ZINC000191532311 823696533 /nfs/dbraw/zinc/69/65/33/823696533.db2.gz UOWSXPIPYWQBRW-UHFFFAOYSA-N 1 2 388.718 4.008 20 0 GIADLO C[C@@H](c1nnc(SCc2ccncc2F)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000412981332 823696716 /nfs/dbraw/zinc/69/67/16/823696716.db2.gz GTKZUTZWHPUKFV-LBPRGKRZSA-N 1 2 391.903 4.370 20 0 GIADLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000125695156 823697445 /nfs/dbraw/zinc/69/74/45/823697445.db2.gz UUSSIBPSWZNVTM-WOJBJXKFSA-N 1 2 383.561 4.011 20 0 GIADLO CCOC1CC(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)C1 ZINC000412988723 823698179 /nfs/dbraw/zinc/69/81/79/823698179.db2.gz YGKUPQYVNRNXJB-UWTIGNOOSA-N 1 2 380.945 4.203 20 0 GIADLO CC(C)(CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(Cl)c1 ZINC000063808934 823698909 /nfs/dbraw/zinc/69/89/09/823698909.db2.gz HNTTUQDOXPTGLJ-UHFFFAOYSA-N 1 2 391.968 4.207 20 0 GIADLO C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000125711140 823698996 /nfs/dbraw/zinc/69/89/96/823698996.db2.gz JXZFJPHVWQNUPM-MRXNPFEDSA-N 1 2 399.491 4.468 20 0 GIADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cc3ccccc3nc2N2CCCCC2)n1 ZINC000574320183 823702195 /nfs/dbraw/zinc/70/21/95/823702195.db2.gz KPAHVEUVUSBCRD-HXUWFJFHSA-N 1 2 377.492 4.254 20 0 GIADLO Cc1noc([C@H]2CCC[N@H+]2Cc2cc3ccccc3nc2N2CCCCC2)n1 ZINC000574320183 823702197 /nfs/dbraw/zinc/70/21/97/823702197.db2.gz KPAHVEUVUSBCRD-HXUWFJFHSA-N 1 2 377.492 4.254 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3csc(C4CC4)n3)CC2)n1 ZINC000191572769 823702424 /nfs/dbraw/zinc/70/24/24/823702424.db2.gz OFYPSIHNWHGCMG-UHFFFAOYSA-N 1 2 377.535 4.033 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1)c1nc(Cc2ccccc2)no1 ZINC000191594550 823706377 /nfs/dbraw/zinc/70/63/77/823706377.db2.gz YSMPKQWJSXRCLU-LSDHHAIUSA-N 1 2 398.894 4.382 20 0 GIADLO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccccc1F)c1nc(Cc2ccccc2)no1 ZINC000191597891 823707753 /nfs/dbraw/zinc/70/77/53/823707753.db2.gz VHCFIIAUKUGSMK-AWEZNQCLSA-N 1 2 377.423 4.040 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccccc3Oc3ccccc3)[nH+]cn2)C1 ZINC000413105553 823707960 /nfs/dbraw/zinc/70/79/60/823707960.db2.gz ZHIPTLZKADIRGX-HKUYNNGSSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccccc3Oc3ccccc3)nc[nH+]2)C1 ZINC000413105553 823707963 /nfs/dbraw/zinc/70/79/63/823707963.db2.gz ZHIPTLZKADIRGX-HKUYNNGSSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@@H]1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000125794979 823712054 /nfs/dbraw/zinc/71/20/54/823712054.db2.gz VFBZEFPNQUUBCO-YPMHNXCESA-N 1 2 392.937 4.445 20 0 GIADLO CCc1nc(C[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)cs1 ZINC000191632732 823719513 /nfs/dbraw/zinc/71/95/13/823719513.db2.gz ZDFSSTFABHICSB-UHFFFAOYSA-N 1 2 384.505 4.144 20 0 GIADLO CCO[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000413176030 823721352 /nfs/dbraw/zinc/72/13/52/823721352.db2.gz KIPZMVCPXPABCP-HMFYCAOWSA-N 1 2 382.504 4.012 20 0 GIADLO CCCCc1ccc(C(=O)CCc2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000574439322 823729841 /nfs/dbraw/zinc/72/98/41/823729841.db2.gz IMSQBZASDBKVBZ-NFBKMPQASA-N 1 2 397.519 4.154 20 0 GIADLO CCCCc1ccc(C(=O)CCc2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000574439322 823729851 /nfs/dbraw/zinc/72/98/51/823729851.db2.gz IMSQBZASDBKVBZ-NFBKMPQASA-N 1 2 397.519 4.154 20 0 GIADLO COc1cccc(-n2ccn(C[N@@H+]3CCc4ccc(OC)cc4C3)c2=S)c1 ZINC000064028699 823737193 /nfs/dbraw/zinc/73/71/93/823737193.db2.gz IFCJLAHRZZDCPU-UHFFFAOYSA-N 1 2 381.501 4.041 20 0 GIADLO COc1cccc(-n2ccn(C[N@H+]3CCc4ccc(OC)cc4C3)c2=S)c1 ZINC000064028699 823737199 /nfs/dbraw/zinc/73/71/99/823737199.db2.gz IFCJLAHRZZDCPU-UHFFFAOYSA-N 1 2 381.501 4.041 20 0 GIADLO COCCN(Cc1cncs1)c1[nH+]ccc2cc(Br)ccc21 ZINC000413259383 823740123 /nfs/dbraw/zinc/74/01/23/823740123.db2.gz DDIZINJNFNAJKA-UHFFFAOYSA-N 1 2 378.295 4.107 20 0 GIADLO CC1(C)CN(c2[nH+]ccc3cc(Br)ccc32)C[C@@]2(CCCOC2)O1 ZINC000413264019 823741120 /nfs/dbraw/zinc/74/11/20/823741120.db2.gz IXLFEZHFYYWOOT-LJQANCHMSA-N 1 2 391.309 4.162 20 0 GIADLO C[C@@H]1CCN(C(=O)COc2ccccc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000125916800 823743642 /nfs/dbraw/zinc/74/36/42/823743642.db2.gz QSKHRYCROZDYRD-NQIIRXRSSA-N 1 2 375.472 4.039 20 0 GIADLO O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000574501778 823749784 /nfs/dbraw/zinc/74/97/84/823749784.db2.gz CISNFKYEVXLARP-CYBMUJFWSA-N 1 2 398.919 4.191 20 0 GIADLO Cn1c2ccccc2nc1[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000126008396 823765179 /nfs/dbraw/zinc/76/51/79/823765179.db2.gz UITPWTKHIFZIOK-JOCHJYFZSA-N 1 2 388.446 4.030 20 0 GIADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000574559513 823766248 /nfs/dbraw/zinc/76/62/48/823766248.db2.gz XYUQTLVHGOOPMZ-HNNXBMFYSA-N 1 2 377.370 4.124 20 0 GIADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000574559513 823766255 /nfs/dbraw/zinc/76/62/55/823766255.db2.gz XYUQTLVHGOOPMZ-HNNXBMFYSA-N 1 2 377.370 4.124 20 0 GIADLO Cc1nc(C(C)(C)[NH2+]Cc2cn3ccc(Br)cc3n2)sc1C ZINC000574560471 823766952 /nfs/dbraw/zinc/76/69/52/823766952.db2.gz DRBSKGMDXQRCNO-UHFFFAOYSA-N 1 2 379.327 4.195 20 0 GIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)CC(F)(F)F)c(C)c1 ZINC000413398908 823768442 /nfs/dbraw/zinc/76/84/42/823768442.db2.gz LAYPMIDWYPPSSH-YOEHRIQHSA-N 1 2 382.430 4.129 20 0 GIADLO CCN(Cc1occc1C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000413399918 823768752 /nfs/dbraw/zinc/76/87/52/823768752.db2.gz LSQSYHKIRKDVFH-HXUWFJFHSA-N 1 2 380.492 4.374 20 0 GIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCc3c2cccc3F)c(C)c1 ZINC000461964869 823774537 /nfs/dbraw/zinc/77/45/37/823774537.db2.gz WIRWOYNIWJFMFE-FQEVSTJZSA-N 1 2 378.451 4.153 20 0 GIADLO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3csc(-c4ccc(F)cc4)n3)C2=O)cc1 ZINC000191810191 823777364 /nfs/dbraw/zinc/77/73/64/823777364.db2.gz OHDYPOWCQGMGBG-HXUWFJFHSA-N 1 2 395.503 4.148 20 0 GIADLO Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC000126082094 823782383 /nfs/dbraw/zinc/78/23/83/823782383.db2.gz IZHYTSDFDZFXNP-UHFFFAOYSA-N 1 2 396.531 4.277 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000126087084 823783733 /nfs/dbraw/zinc/78/37/33/823783733.db2.gz CUSZPLYBLMCWAR-UHFFFAOYSA-N 1 2 386.923 4.397 20 0 GIADLO Fc1cc2[nH+]ccc(N3CCC(c4ccncn4)CC3)c2cc1Br ZINC000413472640 823784399 /nfs/dbraw/zinc/78/43/99/823784399.db2.gz SWWDIUUHNTWGOF-UHFFFAOYSA-N 1 2 387.256 4.310 20 0 GIADLO Cc1c(COc2ccccc2)cccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000126093682 823785377 /nfs/dbraw/zinc/78/53/77/823785377.db2.gz IGFQKJCYCXWJRT-UHFFFAOYSA-N 1 2 378.476 4.325 20 0 GIADLO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000191831002 823789308 /nfs/dbraw/zinc/78/93/08/823789308.db2.gz KLTZVSCPKDZYQM-QGZVFWFLSA-N 1 2 399.502 4.020 20 0 GIADLO CC(C)c1ccccc1N(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000574647142 823790544 /nfs/dbraw/zinc/79/05/44/823790544.db2.gz FNVIIBSDDCBAIC-UHFFFAOYSA-N 1 2 390.487 4.312 20 0 GIADLO COc1ccc2oc(C(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)c(C)c2c1 ZINC000126120514 823793088 /nfs/dbraw/zinc/79/30/88/823793088.db2.gz JCSOWOVOQWLVRX-UHFFFAOYSA-N 1 2 394.471 4.143 20 0 GIADLO CCCCO[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000462009569 823793199 /nfs/dbraw/zinc/79/31/99/823793199.db2.gz WIGHNNGPTFEBGX-SFTDATJTSA-N 1 2 398.551 4.057 20 0 GIADLO CCCCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000462009568 823793294 /nfs/dbraw/zinc/79/32/94/823793294.db2.gz WIGHNNGPTFEBGX-RTWAWAEBSA-N 1 2 398.551 4.057 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C)c(Br)c1 ZINC000191843245 823793881 /nfs/dbraw/zinc/79/38/81/823793881.db2.gz MKGPCVWEIBKFJQ-UHFFFAOYSA-N 1 2 393.329 4.461 20 0 GIADLO Cc1sc2[nH]c(C[N@H+](C)C[C@H]3CCCCO3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000126147902 823799820 /nfs/dbraw/zinc/79/98/20/823799820.db2.gz IDJCFSDJFQIHON-QGZVFWFLSA-N 1 2 397.544 4.269 20 0 GIADLO Cc1sc2[nH]c(C[N@@H+](C)C[C@H]3CCCCO3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000126147902 823799823 /nfs/dbraw/zinc/79/98/23/823799823.db2.gz IDJCFSDJFQIHON-QGZVFWFLSA-N 1 2 397.544 4.269 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(Cl)cc1OCC ZINC000191914962 823810576 /nfs/dbraw/zinc/81/05/76/823810576.db2.gz AMBFQVBSBALAJR-UHFFFAOYSA-N 1 2 378.904 4.442 20 0 GIADLO CCO[C@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccccc1 ZINC000413654965 823811753 /nfs/dbraw/zinc/81/17/53/823811753.db2.gz MBQOYRBZISCZHW-YADHBBJMSA-N 1 2 377.488 4.135 20 0 GIADLO COc1cccc(C[N@@H+](Cc2nnc(-c3ccc(C)cc3)o2)C[C@@H]2CCCO2)c1 ZINC000064400160 823812124 /nfs/dbraw/zinc/81/21/24/823812124.db2.gz SWKPXQLKKYVAIB-NRFANRHFSA-N 1 2 393.487 4.235 20 0 GIADLO COc1cccc(C[N@H+](Cc2nnc(-c3ccc(C)cc3)o2)C[C@@H]2CCCO2)c1 ZINC000064400160 823812132 /nfs/dbraw/zinc/81/21/32/823812132.db2.gz SWKPXQLKKYVAIB-NRFANRHFSA-N 1 2 393.487 4.235 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccnc1-c1ccccc1 ZINC000191921933 823812365 /nfs/dbraw/zinc/81/23/65/823812365.db2.gz YZCOTRFNOUAXGG-UHFFFAOYSA-N 1 2 377.492 4.452 20 0 GIADLO COc1ccc(C2(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)CCCCC2)cc1 ZINC000126209136 823812508 /nfs/dbraw/zinc/81/25/08/823812508.db2.gz MIFZVEUZOSFUKL-WIYYLYMNSA-N 1 2 381.520 4.203 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC(C)C)c(OC)c1 ZINC000191936124 823816002 /nfs/dbraw/zinc/81/60/02/823816002.db2.gz DXKQBZULPSJKDU-UHFFFAOYSA-N 1 2 388.512 4.185 20 0 GIADLO CC[N@H+](Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1ccccc1C ZINC000164746418 823818097 /nfs/dbraw/zinc/81/80/97/823818097.db2.gz PTOXXQWFUYDPOA-UHFFFAOYSA-N 1 2 388.512 4.160 20 0 GIADLO CC[N@@H+](Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1ccccc1C ZINC000164746418 823818101 /nfs/dbraw/zinc/81/81/01/823818101.db2.gz PTOXXQWFUYDPOA-UHFFFAOYSA-N 1 2 388.512 4.160 20 0 GIADLO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000164856908 823823008 /nfs/dbraw/zinc/82/30/08/823823008.db2.gz WOVGIBCRGLSTKP-KRWDZBQOSA-N 1 2 389.565 4.106 20 0 GIADLO CCOc1cccc(-c2cccc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)n2)c1 ZINC000574820351 823834460 /nfs/dbraw/zinc/83/44/60/823834460.db2.gz GBVLKZRQEBTEGD-UHFFFAOYSA-N 1 2 386.455 4.285 20 0 GIADLO Cc1ccc(NC(=O)[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000064600003 823850530 /nfs/dbraw/zinc/85/05/30/823850530.db2.gz OBWWUUVCLNJZLQ-JOCHJYFZSA-N 1 2 391.446 4.042 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@H](c2ccsc2)C1)Nc1cc(Cl)ccc1Cl ZINC000126369448 823850575 /nfs/dbraw/zinc/85/05/75/823850575.db2.gz FQTLHZJXWMBCBM-INIZCTEOSA-N 1 2 385.316 4.457 20 0 GIADLO O=C(CC[N@H+]1CCO[C@H](c2ccsc2)C1)Nc1cc(Cl)ccc1Cl ZINC000126369448 823850582 /nfs/dbraw/zinc/85/05/82/823850582.db2.gz FQTLHZJXWMBCBM-INIZCTEOSA-N 1 2 385.316 4.457 20 0 GIADLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000192072705 823850977 /nfs/dbraw/zinc/85/09/77/823850977.db2.gz CWNSUJNRDWNYCH-LBPRGKRZSA-N 1 2 396.322 4.057 20 0 GIADLO Cc1onc(C2CC2)c1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000574898208 823855341 /nfs/dbraw/zinc/85/53/41/823855341.db2.gz NGBIZAHLFJPUAG-FXAWDEMLSA-N 1 2 389.446 4.092 20 0 GIADLO Cc1onc(C2CC2)c1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000574898208 823855346 /nfs/dbraw/zinc/85/53/46/823855346.db2.gz NGBIZAHLFJPUAG-FXAWDEMLSA-N 1 2 389.446 4.092 20 0 GIADLO C[N@H+](CCC(F)(F)F)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000064635370 823855704 /nfs/dbraw/zinc/85/57/04/823855704.db2.gz VVTGIUJBCQHFBB-UHFFFAOYSA-N 1 2 378.438 4.209 20 0 GIADLO C[N@@H+](CCC(F)(F)F)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000064635370 823855713 /nfs/dbraw/zinc/85/57/13/823855713.db2.gz VVTGIUJBCQHFBB-UHFFFAOYSA-N 1 2 378.438 4.209 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](CCCO)CC(C)(C)C)cs1)c1ccccc1 ZINC000165709841 823860100 /nfs/dbraw/zinc/86/01/00/823860100.db2.gz YEHOVEQUQUJQOD-UHFFFAOYSA-N 1 2 375.538 4.058 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](CCCO)CC(C)(C)C)cs1)c1ccccc1 ZINC000165709841 823860106 /nfs/dbraw/zinc/86/01/06/823860106.db2.gz YEHOVEQUQUJQOD-UHFFFAOYSA-N 1 2 375.538 4.058 20 0 GIADLO Cc1ccc(OCc2nc(CN3CCN(c4cc(C)cc[nH+]4)CC3)cs2)cc1 ZINC000166040709 823868993 /nfs/dbraw/zinc/86/89/93/823868993.db2.gz JUKAYUNGWIEZAX-UHFFFAOYSA-N 1 2 394.544 4.056 20 0 GIADLO Cc1cc(C(C)(C)[NH2+]Cc2nc(-c3ccoc3)no2)ccc1Br ZINC000574961886 823873005 /nfs/dbraw/zinc/87/30/05/823873005.db2.gz GYGRBKMBWSMUEP-UHFFFAOYSA-N 1 2 376.254 4.425 20 0 GIADLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC000574964185 823874237 /nfs/dbraw/zinc/87/42/37/823874237.db2.gz APQWEQQUXFJEDY-AWEZNQCLSA-N 1 2 388.231 4.442 20 0 GIADLO C/C(=C/c1ccccc1OC(F)F)CNc1cc(CSCCO)cc[nH+]1 ZINC000574964195 823874316 /nfs/dbraw/zinc/87/43/16/823874316.db2.gz AZWHRJBCQFADJR-UVTDQMKNSA-N 1 2 380.460 4.424 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)C[C@@H]2CCOC2)cs1)c1c(C)cc(C)cc1C ZINC000166286909 823874428 /nfs/dbraw/zinc/87/44/28/823874428.db2.gz OFLLPHPQAIZBHZ-SFHVURJKSA-N 1 2 387.549 4.221 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)C[C@@H]2CCOC2)cs1)c1c(C)cc(C)cc1C ZINC000166286909 823874435 /nfs/dbraw/zinc/87/44/35/823874435.db2.gz OFLLPHPQAIZBHZ-SFHVURJKSA-N 1 2 387.549 4.221 20 0 GIADLO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)CCO1 ZINC000126480847 823879467 /nfs/dbraw/zinc/87/94/67/823879467.db2.gz LROWWULXJWZGBO-HSZRJFAPSA-N 1 2 390.483 4.092 20 0 GIADLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)CCO1 ZINC000126480847 823879475 /nfs/dbraw/zinc/87/94/75/823879475.db2.gz LROWWULXJWZGBO-HSZRJFAPSA-N 1 2 390.483 4.092 20 0 GIADLO Fc1ccc(Br)cc1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462231782 823885008 /nfs/dbraw/zinc/88/50/08/823885008.db2.gz LRIKVPXYDRUNDI-UHFFFAOYSA-N 1 2 380.261 4.228 20 0 GIADLO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1=O ZINC000575006373 823885190 /nfs/dbraw/zinc/88/51/90/823885190.db2.gz YQSLPQSMZQXMJO-IIBYNOLFSA-N 1 2 393.462 4.323 20 0 GIADLO CCc1ccc(-c2nc(CC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cs2)cc1 ZINC000126507318 823886768 /nfs/dbraw/zinc/88/67/68/823886768.db2.gz GYNCTLVGFDLQEP-JXFKEZNVSA-N 1 2 394.544 4.221 20 0 GIADLO C[C@H]1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@H]1n1cc[nH+]c1 ZINC000126531358 823892325 /nfs/dbraw/zinc/89/23/25/823892325.db2.gz FMCRHDRCBUCYEA-WMLDXEAASA-N 1 2 390.325 4.033 20 0 GIADLO COc1ccc(Nc2nn(C[N@@H+]3CCSC[C@H](C)C3)c(=S)s2)cc1 ZINC000192177440 823893028 /nfs/dbraw/zinc/89/30/28/823893028.db2.gz HMVHDAUQKGPIKW-GFCCVEGCSA-N 1 2 382.580 4.069 20 0 GIADLO COc1ccc(Nc2nn(C[N@H+]3CCSC[C@H](C)C3)c(=S)s2)cc1 ZINC000192177440 823893038 /nfs/dbraw/zinc/89/30/38/823893038.db2.gz HMVHDAUQKGPIKW-GFCCVEGCSA-N 1 2 382.580 4.069 20 0 GIADLO C[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1cc2n(n1)CCC2 ZINC000414066872 823899658 /nfs/dbraw/zinc/89/96/58/823899658.db2.gz AAZZQWYOXQKBNS-JTQLQIEISA-N 1 2 386.240 4.044 20 0 GIADLO CC(C)OCc1c2ccccc2oc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000126564762 823900150 /nfs/dbraw/zinc/90/01/50/823900150.db2.gz JFSVUAHQFXKMHQ-APWZRJJASA-N 1 2 381.476 4.278 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)s1 ZINC000414075612 823902427 /nfs/dbraw/zinc/90/24/27/823902427.db2.gz PEQPKYYPVKYFBK-HUUCEWRRSA-N 1 2 397.500 4.316 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000462260825 823903423 /nfs/dbraw/zinc/90/34/23/823903423.db2.gz WPPCFSFQNQHPIG-SNVBAGLBSA-N 1 2 390.456 4.134 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@@H+]3CCC[C@@H](c4ccccc4)CC3)nc2c1 ZINC000126594975 823907457 /nfs/dbraw/zinc/90/74/57/823907457.db2.gz JPKZVINEQSZAFE-GOSISDBHSA-N 1 2 398.528 4.391 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@H+]3CCC[C@@H](c4ccccc4)CC3)nc2c1 ZINC000126594975 823907465 /nfs/dbraw/zinc/90/74/65/823907465.db2.gz JPKZVINEQSZAFE-GOSISDBHSA-N 1 2 398.528 4.391 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462270093 823907752 /nfs/dbraw/zinc/90/77/52/823907752.db2.gz LDSWVJQRZDHZQJ-QWHCGFSZSA-N 1 2 397.466 4.205 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462270093 823907760 /nfs/dbraw/zinc/90/77/60/823907760.db2.gz LDSWVJQRZDHZQJ-QWHCGFSZSA-N 1 2 397.466 4.205 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C ZINC000462284809 823912436 /nfs/dbraw/zinc/91/24/36/823912436.db2.gz CTAKZYGWAJVGJB-AOMKIAJQSA-N 1 2 394.519 4.062 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000462291514 823913941 /nfs/dbraw/zinc/91/39/41/823913941.db2.gz CHTAUKNTAYILCY-CQSZACIVSA-N 1 2 397.466 4.355 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000192249456 823916658 /nfs/dbraw/zinc/91/66/58/823916658.db2.gz JEKVOBAMSPOYKP-UHFFFAOYSA-N 1 2 376.504 4.424 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1csc(-c2cccs2)n1 ZINC000192253663 823917831 /nfs/dbraw/zinc/91/78/31/823917831.db2.gz OUTQFDAUZIKRQC-UHFFFAOYSA-N 1 2 388.562 4.112 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)ccc1Br ZINC000192254524 823918267 /nfs/dbraw/zinc/91/82/67/823918267.db2.gz DHUVDNCYJXPQMO-UHFFFAOYSA-N 1 2 378.314 4.069 20 0 GIADLO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1csc(-c2ccccc2)n1 ZINC000414143747 823918322 /nfs/dbraw/zinc/91/83/22/823918322.db2.gz SQNXDUZGDRLANQ-OAHLLOKOSA-N 1 2 398.507 4.032 20 0 GIADLO Cc1ccc(C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)cc1S(C)(=O)=O ZINC000414150145 823918950 /nfs/dbraw/zinc/91/89/50/823918950.db2.gz PDQJRVSZPPZFMA-OAHLLOKOSA-N 1 2 386.542 4.373 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000192256564 823919172 /nfs/dbraw/zinc/91/91/72/823919172.db2.gz WAHHBCYJYMREQG-UHFFFAOYSA-N 1 2 387.553 4.070 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000192260671 823920630 /nfs/dbraw/zinc/92/06/30/823920630.db2.gz VHXIYBCKKNSPEY-FQEVSTJZSA-N 1 2 396.539 4.141 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000192260797 823921000 /nfs/dbraw/zinc/92/10/00/823921000.db2.gz RAZRBJZHNNPHEE-UHFFFAOYSA-N 1 2 386.496 4.261 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(OC)c(-c2ccccn2)c1 ZINC000192261622 823921032 /nfs/dbraw/zinc/92/10/32/823921032.db2.gz ZATPMSVDMIQAOM-UHFFFAOYSA-N 1 2 392.503 4.069 20 0 GIADLO C[C@@H]1C[C@@]1(NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(Cl)cc1 ZINC000575149580 823924074 /nfs/dbraw/zinc/92/40/74/823924074.db2.gz KUOJRSIUZOFYRL-VLIAUNLRSA-N 1 2 381.867 4.037 20 0 GIADLO CC(=O)c1ccc(NC(=O)C[N@H+](C)CCCc2cc(-c3ccccc3)no2)cc1 ZINC000170647108 823925890 /nfs/dbraw/zinc/92/58/90/823925890.db2.gz IQPYSKASXOSSEU-UHFFFAOYSA-N 1 2 391.471 4.047 20 0 GIADLO CC(=O)c1ccc(NC(=O)C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)cc1 ZINC000170647108 823925895 /nfs/dbraw/zinc/92/58/95/823925895.db2.gz IQPYSKASXOSSEU-UHFFFAOYSA-N 1 2 391.471 4.047 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(Cl)cc(Br)c2)s1 ZINC000414235085 823935848 /nfs/dbraw/zinc/93/58/48/823935848.db2.gz DDEOCDBSELIACA-MRVPVSSYSA-N 1 2 389.702 4.196 20 0 GIADLO Nc1c(Cl)cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000192297839 823938759 /nfs/dbraw/zinc/93/87/59/823938759.db2.gz NVHDNWDFLMXHPK-UHFFFAOYSA-N 1 2 376.247 4.083 20 0 GIADLO FC(F)(F)c1ccnc(C[NH2+][C@@H]2CCCc3c(Br)cccc32)n1 ZINC000414270654 823947851 /nfs/dbraw/zinc/94/78/51/823947851.db2.gz YWCFVYSTEAXPNR-CYBMUJFWSA-N 1 2 386.215 4.425 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000192365382 823960066 /nfs/dbraw/zinc/96/00/66/823960066.db2.gz CNQZLUIOFRJDDP-UHFFFAOYSA-N 1 2 390.959 4.498 20 0 GIADLO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)c(C)o1 ZINC000170776157 823968163 /nfs/dbraw/zinc/96/81/63/823968163.db2.gz GJBDLVZZZGDBQH-UHFFFAOYSA-N 1 2 385.489 4.007 20 0 GIADLO CC(C)c1cnc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)s1 ZINC000192397036 823970563 /nfs/dbraw/zinc/97/05/63/823970563.db2.gz ZXFPKOGLOSTNJV-UHFFFAOYSA-N 1 2 387.553 4.123 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCSC4(CCC4)CC3)n2)C1 ZINC000414400522 823972112 /nfs/dbraw/zinc/97/21/12/823972112.db2.gz MMZGBQNXBSKSBX-OAHLLOKOSA-N 1 2 394.610 4.269 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCSC4(CCC4)CC3)n2)C1 ZINC000414400522 823972118 /nfs/dbraw/zinc/97/21/18/823972118.db2.gz MMZGBQNXBSKSBX-OAHLLOKOSA-N 1 2 394.610 4.269 20 0 GIADLO CC(=O)c1ccc2c(c1)CN(C(=O)Nc1nc(C[N@H+]3CCC[C@H](C)C3)cs1)C2 ZINC000414416366 823976964 /nfs/dbraw/zinc/97/69/64/823976964.db2.gz WSTZKTOWNSEQBQ-AWEZNQCLSA-N 1 2 398.532 4.125 20 0 GIADLO CC(=O)c1ccc2c(c1)CN(C(=O)Nc1nc(C[N@@H+]3CCC[C@H](C)C3)cs1)C2 ZINC000414416366 823976970 /nfs/dbraw/zinc/97/69/70/823976970.db2.gz WSTZKTOWNSEQBQ-AWEZNQCLSA-N 1 2 398.532 4.125 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000575662482 823982032 /nfs/dbraw/zinc/98/20/32/823982032.db2.gz ZLIHBEVQUSJGPY-FUHWJXTLSA-N 1 2 386.927 4.051 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000192422978 823985490 /nfs/dbraw/zinc/98/54/90/823985490.db2.gz JAHMSKMZONDTLN-GFCCVEGCSA-N 1 2 397.281 4.438 20 0 GIADLO COc1cccc2c1CC[C@@H]([NH2+][C@H](c1noc(C)n1)c1ccc(Cl)cc1)C2 ZINC000192446987 823995774 /nfs/dbraw/zinc/99/57/74/823995774.db2.gz LXEQCGDZIIGLCD-XLIONFOSSA-N 1 2 383.879 4.277 20 0 GIADLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414502710 823996847 /nfs/dbraw/zinc/99/68/47/823996847.db2.gz HKAFVPZCLLUSDD-INIZCTEOSA-N 1 2 392.540 4.001 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C2SCCS2)cc1 ZINC000126997051 823997489 /nfs/dbraw/zinc/99/74/89/823997489.db2.gz OWTWVURPKREWKY-UHFFFAOYSA-N 1 2 399.516 4.420 20 0 GIADLO CS(=O)(=O)c1ccccc1C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414511801 823999001 /nfs/dbraw/zinc/99/90/01/823999001.db2.gz YEOQUTLFPUDISH-UHFFFAOYSA-N 1 2 377.815 4.052 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCc2c(C)cccc2C1 ZINC000170921822 824005626 /nfs/dbraw/zinc/00/56/26/824005626.db2.gz LDIXBFMDUZLAFF-LJQANCHMSA-N 1 2 388.515 4.183 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCc2c(C)cccc2C1 ZINC000170921822 824005630 /nfs/dbraw/zinc/00/56/30/824005630.db2.gz LDIXBFMDUZLAFF-LJQANCHMSA-N 1 2 388.515 4.183 20 0 GIADLO c1ccc2c(C[N@@H+]3CCCC[C@@H]3c3nnc(C4CCOCC4)o3)ccnc2c1 ZINC000575838075 824008521 /nfs/dbraw/zinc/00/85/21/824008521.db2.gz ZMWUSRYDDATGFL-HXUWFJFHSA-N 1 2 378.476 4.239 20 0 GIADLO c1ccc2c(C[N@H+]3CCCC[C@@H]3c3nnc(C4CCOCC4)o3)ccnc2c1 ZINC000575838075 824008530 /nfs/dbraw/zinc/00/85/30/824008530.db2.gz ZMWUSRYDDATGFL-HXUWFJFHSA-N 1 2 378.476 4.239 20 0 GIADLO Cc1cccc2c1CC[N@H+](Cn1ccc(=O)c3cccc(Br)c31)C2 ZINC000170938369 824009481 /nfs/dbraw/zinc/00/94/81/824009481.db2.gz AFYIVTOOKNONBP-UHFFFAOYSA-N 1 2 383.289 4.088 20 0 GIADLO Cc1cccc2c1CC[N@@H+](Cn1ccc(=O)c3cccc(Br)c31)C2 ZINC000170938369 824009487 /nfs/dbraw/zinc/00/94/87/824009487.db2.gz AFYIVTOOKNONBP-UHFFFAOYSA-N 1 2 383.289 4.088 20 0 GIADLO O=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000192492008 824009976 /nfs/dbraw/zinc/00/99/76/824009976.db2.gz PTVAVVFNXNMMRR-OUKQBFOZSA-N 1 2 395.466 4.482 20 0 GIADLO COc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1OCc1ccccc1 ZINC000414552700 824010283 /nfs/dbraw/zinc/01/02/83/824010283.db2.gz HERXIAAPOKZTOD-UHFFFAOYSA-N 1 2 381.501 4.293 20 0 GIADLO COCc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192507190 824014574 /nfs/dbraw/zinc/01/45/74/824014574.db2.gz YFMNTNLXIGFGNA-OALUTQOASA-N 1 2 391.874 4.192 20 0 GIADLO COCc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192507190 824014582 /nfs/dbraw/zinc/01/45/82/824014582.db2.gz YFMNTNLXIGFGNA-OALUTQOASA-N 1 2 391.874 4.192 20 0 GIADLO C[C@H]1C[C@H](c2ccccc2)N(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000575905961 824025429 /nfs/dbraw/zinc/02/54/29/824025429.db2.gz KDBITCOUMIOMFJ-HRAATJIYSA-N 1 2 378.451 4.304 20 0 GIADLO CCCCn1ccnc1-c1cccc(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000127145487 824026302 /nfs/dbraw/zinc/02/63/02/824026302.db2.gz BPGWVNSZHJRXAT-UHFFFAOYSA-N 1 2 380.496 4.101 20 0 GIADLO Cc1ccccc1-c1nc(C[NH+]2CCC3(CC2)OCCc2ccccc23)no1 ZINC000576004601 824047817 /nfs/dbraw/zinc/04/78/17/824047817.db2.gz WXTOWXSXRPLBHQ-UHFFFAOYSA-N 1 2 375.472 4.109 20 0 GIADLO COc1ccc([C@H]([NH2+]Cc2nnc(C(=O)Nc3ccccc3)s2)C(C)C)cc1 ZINC000192631794 824051471 /nfs/dbraw/zinc/05/14/71/824051471.db2.gz GHYKJQNDCMFACS-LJQANCHMSA-N 1 2 396.516 4.286 20 0 GIADLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000171065104 824053324 /nfs/dbraw/zinc/05/33/24/824053324.db2.gz OSGRMNPLHVSMCJ-UHFFFAOYSA-N 1 2 386.908 4.446 20 0 GIADLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000359893093 206268155 /nfs/dbraw/zinc/26/81/55/206268155.db2.gz CZZOPSZCQVVSRL-LJQANCHMSA-N 1 2 389.459 4.041 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000016109776 207073490 /nfs/dbraw/zinc/07/34/90/207073490.db2.gz ZWRKGMPUROSWKI-UHFFFAOYSA-N 1 2 394.475 4.346 20 0 GIADLO O=C(Cc1cccc(F)c1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000016003199 207070833 /nfs/dbraw/zinc/07/08/33/207070833.db2.gz HHTNWYVSQKSWQD-UHFFFAOYSA-N 1 2 381.476 4.022 20 0 GIADLO O=C(Cc1cccc(F)c1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000016003199 207070834 /nfs/dbraw/zinc/07/08/34/207070834.db2.gz HHTNWYVSQKSWQD-UHFFFAOYSA-N 1 2 381.476 4.022 20 0 GIADLO C[C@H]1C[C@H](NC(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c2[nH+]ccn21 ZINC000333197818 570735194 /nfs/dbraw/zinc/73/51/94/570735194.db2.gz QBADVXNQCJPNBR-DJJJIMSYSA-N 1 2 381.455 4.099 20 0 GIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc4ccccc4n2)CC3)cc1 ZINC001164668179 719492882 /nfs/dbraw/zinc/49/28/82/719492882.db2.gz OMNWRMWMYDKKFR-UHFFFAOYSA-N 1 2 391.490 4.245 20 0 GIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc4ccccc4n2)CC3)cc1 ZINC001164668179 719492892 /nfs/dbraw/zinc/49/28/92/719492892.db2.gz OMNWRMWMYDKKFR-UHFFFAOYSA-N 1 2 391.490 4.245 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000055839831 823051575 /nfs/dbraw/zinc/05/15/75/823051575.db2.gz DYZYYPIIOYIPFC-UHFFFAOYSA-N 1 2 398.510 4.218 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000175850478 823055463 /nfs/dbraw/zinc/05/54/63/823055463.db2.gz QKEHEAYTWPYDDL-SFHVURJKSA-N 1 2 392.528 4.196 20 0 GIADLO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000175851449 823055678 /nfs/dbraw/zinc/05/56/78/823055678.db2.gz HTKQVBQVMGXLMF-OAHLLOKOSA-N 1 2 383.521 4.102 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cs1)c1ccc(C)c(C)c1 ZINC000120743777 823055784 /nfs/dbraw/zinc/05/57/84/823055784.db2.gz BCBIWUNNNSXTLG-AEFFLSMTSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cs1)c1ccc(C)c(C)c1 ZINC000120743777 823055787 /nfs/dbraw/zinc/05/57/87/823055787.db2.gz BCBIWUNNNSXTLG-AEFFLSMTSA-N 1 2 387.549 4.037 20 0 GIADLO O=c1cc(C[NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)nc2ccccn12 ZINC000055873494 823058145 /nfs/dbraw/zinc/05/81/45/823058145.db2.gz IMLOCOSMDYDGMS-JOCHJYFZSA-N 1 2 393.849 4.366 20 0 GIADLO Cc1nnc(C[NH2+][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1C1CC1 ZINC000120764390 823059337 /nfs/dbraw/zinc/05/93/37/823059337.db2.gz NSRYFHPGXSKGEA-HNNXBMFYSA-N 1 2 375.476 4.025 20 0 GIADLO CC(C)c1noc([C@@H](C)[NH+]2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)n1 ZINC000175871706 823060429 /nfs/dbraw/zinc/06/04/29/823060429.db2.gz NSELKCVTWXTULX-OAHLLOKOSA-N 1 2 392.544 4.366 20 0 GIADLO COc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c(OCC2CC2)c1 ZINC000570602786 823060705 /nfs/dbraw/zinc/06/07/05/823060705.db2.gz DRRZAHFSYSKRKA-UHFFFAOYSA-N 1 2 388.427 4.387 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cs1)c1ccc(C)cc1C ZINC000120781781 823062848 /nfs/dbraw/zinc/06/28/48/823062848.db2.gz QQNUSLIROZQVKA-AEFFLSMTSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cs1)c1ccc(C)cc1C ZINC000120781781 823062858 /nfs/dbraw/zinc/06/28/58/823062858.db2.gz QQNUSLIROZQVKA-AEFFLSMTSA-N 1 2 387.549 4.037 20 0 GIADLO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2cc(F)ccc2OC)c2ccccc2)cc1 ZINC000187452211 823066217 /nfs/dbraw/zinc/06/62/17/823066217.db2.gz YRSGTQXUTHZXFK-QFIPXVFZSA-N 1 2 394.446 4.313 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2csc(CCc3ccccc3)n2)CC1 ZINC000175909954 823070287 /nfs/dbraw/zinc/07/02/87/823070287.db2.gz QOTORLDVWHJDCX-LJQANCHMSA-N 1 2 392.572 4.202 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c(C)[nH+]1 ZINC000570674427 823070728 /nfs/dbraw/zinc/07/07/28/823070728.db2.gz PLBFHHIFRDAIGU-HNNXBMFYSA-N 1 2 394.397 4.106 20 0 GIADLO CC(C)OCc1c2ccccc2oc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120866357 823079416 /nfs/dbraw/zinc/07/94/16/823079416.db2.gz UXOAXIOLNLOKHS-KRWDZBQOSA-N 1 2 395.503 4.186 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CCCc3occc32)C[C@@H](C)O1 ZINC000120870839 823080189 /nfs/dbraw/zinc/08/01/89/823080189.db2.gz NYWSSGPLHYTIMB-JXXFODFXSA-N 1 2 383.492 4.088 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)c2ccc(F)cc2)cn1 ZINC000187521720 823080577 /nfs/dbraw/zinc/08/05/77/823080577.db2.gz WZOJGUUFIIEQCC-NRFANRHFSA-N 1 2 395.869 4.278 20 0 GIADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175952843 823081191 /nfs/dbraw/zinc/08/11/91/823081191.db2.gz BPZSWPWXPXVTHI-KNQAVFIVSA-N 1 2 391.515 4.445 20 0 GIADLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175952843 823081198 /nfs/dbraw/zinc/08/11/98/823081198.db2.gz BPZSWPWXPXVTHI-KNQAVFIVSA-N 1 2 391.515 4.445 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000187539255 823085089 /nfs/dbraw/zinc/08/50/89/823085089.db2.gz FAJDWOBQVMWVOS-UHFFFAOYSA-N 1 2 398.938 4.293 20 0 GIADLO CC(C)COc1ccc([C@H](C)NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120955733 823092675 /nfs/dbraw/zinc/09/26/75/823092675.db2.gz ZIXOBYZMQYEYOT-OALUTQOASA-N 1 2 398.551 4.180 20 0 GIADLO O=C(CCCc1nccs1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000570819895 823091528 /nfs/dbraw/zinc/09/15/28/823091528.db2.gz RGPQHGUWYSYNFY-MRXNPFEDSA-N 1 2 395.931 4.212 20 0 GIADLO Cc1ccc(-c2ccc(C[NH2+][C@@H](c3nc(-c4nc[nH]n4)no3)C(C)(C)C)o2)cc1 ZINC000120953421 823091893 /nfs/dbraw/zinc/09/18/93/823091893.db2.gz ULZPRQBUFNONAT-KRWDZBQOSA-N 1 2 392.463 4.300 20 0 GIADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1)n2C ZINC000187585877 823093174 /nfs/dbraw/zinc/09/31/74/823093174.db2.gz WRTSVAZUXQHVDQ-GOSISDBHSA-N 1 2 399.922 4.383 20 0 GIADLO CCC[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1F ZINC000120963786 823093939 /nfs/dbraw/zinc/09/39/39/823093939.db2.gz NOMOMXMYFDGUKD-KXBFYZLASA-N 1 2 390.478 4.204 20 0 GIADLO COCC[N@H+](Cc1cc(Br)c(Cl)s1)Cc1ccccn1 ZINC000570885857 823102160 /nfs/dbraw/zinc/10/21/60/823102160.db2.gz MYYFHGVQSGCZPP-UHFFFAOYSA-N 1 2 375.719 4.208 20 0 GIADLO COCC[N@@H+](Cc1cc(Br)c(Cl)s1)Cc1ccccn1 ZINC000570885857 823102162 /nfs/dbraw/zinc/10/21/62/823102162.db2.gz MYYFHGVQSGCZPP-UHFFFAOYSA-N 1 2 375.719 4.208 20 0 GIADLO CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000458892548 823102613 /nfs/dbraw/zinc/10/26/13/823102613.db2.gz WPVKPOGCPZMOKI-LSDHHAIUSA-N 1 2 392.956 4.341 20 0 GIADLO O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000176039704 823103610 /nfs/dbraw/zinc/10/36/10/823103610.db2.gz RVWPUTWHODFEEK-UHFFFAOYSA-N 1 2 385.876 4.080 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C2CCCC2)n1CC ZINC000570894861 823104131 /nfs/dbraw/zinc/10/41/31/823104131.db2.gz UNWPBXNURXLAJN-UHFFFAOYSA-N 1 2 382.556 4.094 20 0 GIADLO C[C@H]1C[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C[C@H](c2ccsc2)O1 ZINC000121048284 823108772 /nfs/dbraw/zinc/10/87/72/823108772.db2.gz KEBQHMHHWUFNHE-KBXCAEBGSA-N 1 2 376.547 4.484 20 0 GIADLO C[C@H]1C[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)C[C@H](c2ccsc2)O1 ZINC000121048284 823108777 /nfs/dbraw/zinc/10/87/77/823108777.db2.gz KEBQHMHHWUFNHE-KBXCAEBGSA-N 1 2 376.547 4.484 20 0 GIADLO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(-n2cccn2)c(F)c1 ZINC000570945013 823110280 /nfs/dbraw/zinc/11/02/80/823110280.db2.gz OHOPSSLSPOBFDO-CQSZACIVSA-N 1 2 396.857 4.096 20 0 GIADLO CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000570987333 823115976 /nfs/dbraw/zinc/11/59/76/823115976.db2.gz NBOWIQAIVIPMID-GOSISDBHSA-N 1 2 394.515 4.100 20 0 GIADLO C[N@H+](C[C@H]1CCOC1)Cn1nc(-c2ccc(F)cc2)n(-c2ccccc2)c1=S ZINC000176099395 823119583 /nfs/dbraw/zinc/11/95/83/823119583.db2.gz UAWJRJBWEOAROZ-MRXNPFEDSA-N 1 2 398.507 4.135 20 0 GIADLO C[N@@H+](C[C@H]1CCOC1)Cn1nc(-c2ccc(F)cc2)n(-c2ccccc2)c1=S ZINC000176099395 823119585 /nfs/dbraw/zinc/11/95/85/823119585.db2.gz UAWJRJBWEOAROZ-MRXNPFEDSA-N 1 2 398.507 4.135 20 0 GIADLO CCOc1cc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc(Cl)c1OC ZINC000571007160 823119132 /nfs/dbraw/zinc/11/91/32/823119132.db2.gz ZNCPEBPGUGVZOQ-UHFFFAOYSA-N 1 2 375.852 4.121 20 0 GIADLO CCOc1cc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc(Cl)c1OC ZINC000571007160 823119137 /nfs/dbraw/zinc/11/91/37/823119137.db2.gz ZNCPEBPGUGVZOQ-UHFFFAOYSA-N 1 2 375.852 4.121 20 0 GIADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000571027405 823122254 /nfs/dbraw/zinc/12/22/54/823122254.db2.gz GJBQQTFYHICWNN-UHFFFAOYSA-N 1 2 386.455 4.023 20 0 GIADLO C[NH+](C)[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045964 823124568 /nfs/dbraw/zinc/12/45/68/823124568.db2.gz QTIPYAKEIKVFDV-GOTSBHOMSA-N 1 2 381.539 4.215 20 0 GIADLO C[NH+](C)[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045964 823124569 /nfs/dbraw/zinc/12/45/69/823124569.db2.gz QTIPYAKEIKVFDV-GOTSBHOMSA-N 1 2 381.539 4.215 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000121139425 823125418 /nfs/dbraw/zinc/12/54/18/823125418.db2.gz PHXARJVXJHLADF-OAHLLOKOSA-N 1 2 377.529 4.365 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000121139425 823125420 /nfs/dbraw/zinc/12/54/20/823125420.db2.gz PHXARJVXJHLADF-OAHLLOKOSA-N 1 2 377.529 4.365 20 0 GIADLO O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121158099 823129484 /nfs/dbraw/zinc/12/94/84/823129484.db2.gz SFOXKWFNJIBCPV-SFHVURJKSA-N 1 2 395.846 4.216 20 0 GIADLO O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121158270 823129553 /nfs/dbraw/zinc/12/95/53/823129553.db2.gz SFOXKWFNJIBCPV-GOSISDBHSA-N 1 2 395.846 4.216 20 0 GIADLO O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056350623 823134557 /nfs/dbraw/zinc/13/45/57/823134557.db2.gz VXSFGSFZVWYEHZ-LJQANCHMSA-N 1 2 377.444 4.073 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)c2c(F)cccc2Cl)CC1 ZINC000176147620 823136043 /nfs/dbraw/zinc/13/60/43/823136043.db2.gz CIYROLKBOXGKNM-LSDHHAIUSA-N 1 2 390.890 4.024 20 0 GIADLO C[C@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000121241748 823145674 /nfs/dbraw/zinc/14/56/74/823145674.db2.gz DTCIYVKAERFSAA-RDTXWAMCSA-N 1 2 378.394 4.274 20 0 GIADLO CCOc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OCC(F)(F)F ZINC000121243615 823146112 /nfs/dbraw/zinc/14/61/12/823146112.db2.gz DAVIBEUNCQYEET-HNNXBMFYSA-N 1 2 383.414 4.129 20 0 GIADLO Cc1ccc(-c2c[nH]cc2C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000187838743 823143845 /nfs/dbraw/zinc/14/38/45/823143845.db2.gz DVZDGLQLHAWCAY-UHFFFAOYSA-N 1 2 376.485 4.226 20 0 GIADLO CCOc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OCC(F)(F)F ZINC000121243615 823146108 /nfs/dbraw/zinc/14/61/08/823146108.db2.gz DAVIBEUNCQYEET-HNNXBMFYSA-N 1 2 383.414 4.129 20 0 GIADLO CSc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c(Cl)cc1Cl ZINC000121246212 823146679 /nfs/dbraw/zinc/14/66/79/823146679.db2.gz IQXPYRPNFDMNBF-UHFFFAOYSA-N 1 2 384.332 4.221 20 0 GIADLO COc1cc(C[N@@H+]2CCc3cc(Br)cc(C)c3C2)cc(OC)c1O ZINC000571246889 823155008 /nfs/dbraw/zinc/15/50/08/823155008.db2.gz SPTQVPDFMAEYBP-UHFFFAOYSA-N 1 2 392.293 4.039 20 0 GIADLO COc1cc(C[N@H+]2CCc3cc(Br)cc(C)c3C2)cc(OC)c1O ZINC000571246889 823155010 /nfs/dbraw/zinc/15/50/10/823155010.db2.gz SPTQVPDFMAEYBP-UHFFFAOYSA-N 1 2 392.293 4.039 20 0 GIADLO CC(C)c1nc(C2CC[NH+](Cc3cccc(O)c3Br)CC2)no1 ZINC000459328584 823162153 /nfs/dbraw/zinc/16/21/53/823162153.db2.gz PZFUTHKGYYMELS-UHFFFAOYSA-N 1 2 380.286 4.041 20 0 GIADLO Cn1cc(-c2ncc(C[N@@H+](Cc3ccc(F)cc3Cl)CC3CC3)cn2)cn1 ZINC000571309938 823163674 /nfs/dbraw/zinc/16/36/74/823163674.db2.gz HVMIWNQAIRJWCJ-UHFFFAOYSA-N 1 2 385.874 4.082 20 0 GIADLO Cn1cc(-c2ncc(C[N@H+](Cc3ccc(F)cc3Cl)CC3CC3)cn2)cn1 ZINC000571309938 823163677 /nfs/dbraw/zinc/16/36/77/823163677.db2.gz HVMIWNQAIRJWCJ-UHFFFAOYSA-N 1 2 385.874 4.082 20 0 GIADLO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(c3ccccc3F)CC2)c1C ZINC000571325683 823165461 /nfs/dbraw/zinc/16/54/61/823165461.db2.gz QULCWCWNYVOREM-HNNXBMFYSA-N 1 2 386.467 4.008 20 0 GIADLO Fc1ccc([C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)c2ncc[nH]2)cc1 ZINC000188000994 823169705 /nfs/dbraw/zinc/16/97/05/823169705.db2.gz IKDDHCCPXLMMII-JOCHJYFZSA-N 1 2 395.478 4.124 20 0 GIADLO C[C@@H](c1cccc(NC(=O)NC2CCC(C(F)F)CC2)c1)[NH+]1CCOCC1 ZINC000459391871 823181419 /nfs/dbraw/zinc/18/14/19/823181419.db2.gz VUJSXDDYZNKWJM-UQPPLGOBSA-N 1 2 381.467 4.025 20 0 GIADLO Cc1cc(C(=O)C[NH+]2CCC(OC3CCCC3)CC2)c(C)n1Cc1ccco1 ZINC000176322758 823181902 /nfs/dbraw/zinc/18/19/02/823181902.db2.gz HSDZGNUZXFRVOV-UHFFFAOYSA-N 1 2 384.520 4.353 20 0 GIADLO O=C(c1cccc(COc2cccc(F)c2)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121430288 823182920 /nfs/dbraw/zinc/18/29/20/823182920.db2.gz LQNJEFWJHRCVKP-QFIPXVFZSA-N 1 2 392.430 4.093 20 0 GIADLO Cc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(OCC(F)(F)F)c1 ZINC000056626047 823184324 /nfs/dbraw/zinc/18/43/24/823184324.db2.gz IDRJGWXHYVRMOM-MRXNPFEDSA-N 1 2 398.429 4.369 20 0 GIADLO O[C@@H](C[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1)c1ccsc1 ZINC000176332987 823184688 /nfs/dbraw/zinc/18/46/88/823184688.db2.gz SVTFRWNHNLCJFR-KRWDZBQOSA-N 1 2 381.457 4.127 20 0 GIADLO O[C@@H](C[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1)c1ccsc1 ZINC000176332987 823184690 /nfs/dbraw/zinc/18/46/90/823184690.db2.gz SVTFRWNHNLCJFR-KRWDZBQOSA-N 1 2 381.457 4.127 20 0 GIADLO CCOC[C@@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)C1 ZINC000176346086 823188500 /nfs/dbraw/zinc/18/85/00/823188500.db2.gz AOEXRYLQFPRCCU-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO CCOC[C@@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)C1 ZINC000176346086 823188502 /nfs/dbraw/zinc/18/85/02/823188502.db2.gz AOEXRYLQFPRCCU-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO CCOc1cc(C[NH2+]Cc2nc3ccc(C)cc3[nH]2)cc(Br)c1O ZINC000459435980 823191899 /nfs/dbraw/zinc/19/18/99/823191899.db2.gz XZBQBCVBICFTDE-UHFFFAOYSA-N 1 2 390.281 4.028 20 0 GIADLO O=C(c1cccc2[nH]ccc21)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000571498179 823192548 /nfs/dbraw/zinc/19/25/48/823192548.db2.gz GCMHTSFIOVROSV-UHFFFAOYSA-N 1 2 378.863 4.360 20 0 GIADLO CCOc1cc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)cc(Cl)c1O ZINC000459457930 823196192 /nfs/dbraw/zinc/19/61/92/823196192.db2.gz IUBXINGZUPBKFW-KBPBESRZSA-N 1 2 391.899 4.065 20 0 GIADLO CO[C@H](C)c1noc(C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)n1 ZINC000188183138 823199784 /nfs/dbraw/zinc/19/97/84/823199784.db2.gz ZFXGAHPPFPCBCX-MEBBXXQBSA-N 1 2 398.276 4.310 20 0 GIADLO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459488240 823202790 /nfs/dbraw/zinc/20/27/90/823202790.db2.gz IDSCUDVCWNTRPM-YVEFUNNKSA-N 1 2 393.409 4.040 20 0 GIADLO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459488240 823202795 /nfs/dbraw/zinc/20/27/95/823202795.db2.gz IDSCUDVCWNTRPM-YVEFUNNKSA-N 1 2 393.409 4.040 20 0 GIADLO FC(F)(F)COc1cc(NCc2ccc(OC[C@@H]3CCCO3)cc2)cc[nH+]1 ZINC000571608878 823208229 /nfs/dbraw/zinc/20/82/29/823208229.db2.gz FFIYLSAUFBIGGK-KRWDZBQOSA-N 1 2 382.382 4.193 20 0 GIADLO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000459513211 823208309 /nfs/dbraw/zinc/20/83/09/823208309.db2.gz RHRRTWRNQBZBFC-VXKWHMMOSA-N 1 2 379.500 4.241 20 0 GIADLO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000459513211 823208314 /nfs/dbraw/zinc/20/83/14/823208314.db2.gz RHRRTWRNQBZBFC-VXKWHMMOSA-N 1 2 379.500 4.241 20 0 GIADLO CCc1noc(CC)c1CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000176460861 823212411 /nfs/dbraw/zinc/21/24/11/823212411.db2.gz HCCRMELWPSIXNQ-UHFFFAOYSA-N 1 2 378.476 4.180 20 0 GIADLO C=CC[C@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000188268444 823211465 /nfs/dbraw/zinc/21/14/65/823211465.db2.gz HNZVAUXWZGMCFZ-QHCPKHFHSA-N 1 2 377.532 4.198 20 0 GIADLO Cc1ccc(S[C@H](C(=O)NCCc2c[nH+]cn2C)c2ccccc2)c(C)c1 ZINC000121600252 823213872 /nfs/dbraw/zinc/21/38/72/823213872.db2.gz MBPBWTWSPZGNKO-NRFANRHFSA-N 1 2 379.529 4.229 20 0 GIADLO CC[C@@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000121612044 823215600 /nfs/dbraw/zinc/21/56/00/823215600.db2.gz ITQXKOFFHPVRNR-ZWKOTPCHSA-N 1 2 378.394 4.274 20 0 GIADLO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc(Br)c1O ZINC000459555516 823219496 /nfs/dbraw/zinc/21/94/96/823219496.db2.gz GDQUXDRLFNLMHL-INIZCTEOSA-N 1 2 377.282 4.286 20 0 GIADLO CCOc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)cc(Br)c1O ZINC000459555516 823219500 /nfs/dbraw/zinc/21/95/00/823219500.db2.gz GDQUXDRLFNLMHL-INIZCTEOSA-N 1 2 377.282 4.286 20 0 GIADLO CCOc1cccc2[nH]cc(CC(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)c21 ZINC000188327835 823220142 /nfs/dbraw/zinc/22/01/42/823220142.db2.gz MKUGHDXDKBPXMM-UHFFFAOYSA-N 1 2 378.407 4.073 20 0 GIADLO Cc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)sc2nccc(C)c12 ZINC000409451120 823221562 /nfs/dbraw/zinc/22/15/62/823221562.db2.gz BTHXGSVXUSKVAC-UHFFFAOYSA-N 1 2 380.448 4.168 20 0 GIADLO CS(=O)(=O)CC1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459564946 823221584 /nfs/dbraw/zinc/22/15/84/823221584.db2.gz WTJVZNOTSWROHY-VMPITWQZSA-N 1 2 399.556 4.035 20 0 GIADLO O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409452022 823221912 /nfs/dbraw/zinc/22/19/12/823221912.db2.gz FSNOESSJSJJUPL-UHFFFAOYSA-N 1 2 387.842 4.140 20 0 GIADLO O=C(COc1ccc(Cl)c(Cl)c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409453093 823222353 /nfs/dbraw/zinc/22/23/53/823222353.db2.gz NQNOKIGOFSIVBN-UHFFFAOYSA-N 1 2 394.233 4.013 20 0 GIADLO Oc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2ccnc2)c1Br ZINC000459552154 823218839 /nfs/dbraw/zinc/21/88/39/823218839.db2.gz RRJQXVJMLXNQIF-PXNSSMCTSA-N 1 2 398.304 4.370 20 0 GIADLO Cc1nn(-c2ccccc2)c(Cl)c1C[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000176502926 823222931 /nfs/dbraw/zinc/22/29/31/823222931.db2.gz LQGZBZBKBLAISD-HHHXNRCGSA-N 1 2 398.919 4.239 20 0 GIADLO Cc1ccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000121666226 823225777 /nfs/dbraw/zinc/22/57/77/823225777.db2.gz YJPXWOVSRWRATK-IAGOWNOFSA-N 1 2 385.483 4.065 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N(Cc1ccco1)Cc1cccs1 ZINC000056894333 823229058 /nfs/dbraw/zinc/22/90/58/823229058.db2.gz IFZCUOQURYTMKA-UHFFFAOYSA-N 1 2 392.484 4.439 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000176541758 823232807 /nfs/dbraw/zinc/23/28/07/823232807.db2.gz QJPYIXNDBAFPHB-WVDZOPJMSA-N 1 2 397.544 4.043 20 0 GIADLO Cc1cccn2cc(C[S@](=O)[C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)[nH+]c12 ZINC000176531078 823230473 /nfs/dbraw/zinc/23/04/73/823230473.db2.gz RDKHMZOCRGWVLK-POXGOYDTSA-N 1 2 398.463 4.150 20 0 GIADLO CC[C@@H](C)c1ccc(NC(=O)C[S@](=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000176533084 823230820 /nfs/dbraw/zinc/23/08/20/823230820.db2.gz FZJATSDJJAYXLT-YVORESIASA-N 1 2 383.517 4.044 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)Cc3ncc(-c4ccccc4Cl)o3)[nH+]c12 ZINC000176533694 823231344 /nfs/dbraw/zinc/23/13/44/823231344.db2.gz WHMQBZONJNCOAB-AREMUKBSSA-N 1 2 385.876 4.400 20 0 GIADLO COc1ccccc1-c1nnc(C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)o1 ZINC000121692587 823231447 /nfs/dbraw/zinc/23/14/47/823231447.db2.gz LVVRZJXBQPLAPM-QRWLVFNGSA-N 1 2 381.501 4.424 20 0 GIADLO COc1ccccc1-c1nnc(C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)o1 ZINC000121692587 823231451 /nfs/dbraw/zinc/23/14/51/823231451.db2.gz LVVRZJXBQPLAPM-QRWLVFNGSA-N 1 2 381.501 4.424 20 0 GIADLO CC(C)=CCC[C@H](C)CC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000571765352 823231784 /nfs/dbraw/zinc/23/17/84/823231784.db2.gz ZBBWDUNXVBDSPG-IBGZPJMESA-N 1 2 385.552 4.062 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000056940779 823233366 /nfs/dbraw/zinc/23/33/66/823233366.db2.gz CLOFMZSHMWWCOL-FQEVSTJZSA-N 1 2 380.879 4.072 20 0 GIADLO Brc1ccc([C@@H]([NH2+]Cc2nnc3ccccn32)c2ccccc2)cc1 ZINC000188400906 823234317 /nfs/dbraw/zinc/23/43/17/823234317.db2.gz REBGFVAKSWDUOH-FQEVSTJZSA-N 1 2 393.288 4.371 20 0 GIADLO FC(F)(F)c1cc(Cl)cc(CNc2cccc(CN3CCOCC3)[nH+]2)c1 ZINC000188450776 823242467 /nfs/dbraw/zinc/24/24/67/823242467.db2.gz BTIRNGQHARDWIQ-UHFFFAOYSA-N 1 2 385.817 4.198 20 0 GIADLO COc1ccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1SC ZINC000459650333 823238909 /nfs/dbraw/zinc/23/89/09/823238909.db2.gz MIVCMKYXCZGMNN-UHFFFAOYSA-N 1 2 375.494 4.101 20 0 GIADLO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000571816960 823238929 /nfs/dbraw/zinc/23/89/29/823238929.db2.gz CZFSBGFXRQSDOQ-HSZRJFAPSA-N 1 2 390.531 4.403 20 0 GIADLO CCO[C@H](C)c1nc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658059 823242644 /nfs/dbraw/zinc/24/26/44/823242644.db2.gz ITVQKMUDMLYLKG-HIFRSBDPSA-N 1 2 392.487 4.422 20 0 GIADLO CCO[C@H](C)c1nc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658059 823242647 /nfs/dbraw/zinc/24/26/47/823242647.db2.gz ITVQKMUDMLYLKG-HIFRSBDPSA-N 1 2 392.487 4.422 20 0 GIADLO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000057045954 823242889 /nfs/dbraw/zinc/24/28/89/823242889.db2.gz OSXQCGYVKNJULU-OAQYLSRUSA-N 1 2 389.499 4.066 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000121752267 823243266 /nfs/dbraw/zinc/24/32/66/823243266.db2.gz BXRXQNFEVTVLQI-GFCCVEGCSA-N 1 2 384.377 4.065 20 0 GIADLO Cc1ccccc1C1(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCC1 ZINC000409532916 823243500 /nfs/dbraw/zinc/24/35/00/823243500.db2.gz YBEOBPWGVZLQKO-LJQANCHMSA-N 1 2 378.516 4.449 20 0 GIADLO CSc1ccc(Cl)c(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1 ZINC000057053870 823244010 /nfs/dbraw/zinc/24/40/10/823244010.db2.gz LVACWJXDNWDXBY-UHFFFAOYSA-N 1 2 389.952 4.062 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc3ccncc3s2)C[C@@H](C)O1 ZINC000571850686 823245613 /nfs/dbraw/zinc/24/56/13/823245613.db2.gz CIBVXBSGDIULAL-HUUCEWRRSA-N 1 2 381.501 4.158 20 0 GIADLO CC(C)(C)c1nnc(C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]1 ZINC000459675915 823248377 /nfs/dbraw/zinc/24/83/77/823248377.db2.gz KTRFOFQJIIBLMU-UHFFFAOYSA-N 1 2 380.336 4.430 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000121798889 823253694 /nfs/dbraw/zinc/25/36/94/823253694.db2.gz MEMQEILUFAKNLL-UHFFFAOYSA-N 1 2 384.911 4.209 20 0 GIADLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000121804380 823254758 /nfs/dbraw/zinc/25/47/58/823254758.db2.gz ILHUTJPZNCMXHX-UHFFFAOYSA-N 1 2 396.541 4.352 20 0 GIADLO COc1c(C)cnc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)c1C ZINC000571927786 823255251 /nfs/dbraw/zinc/25/52/51/823255251.db2.gz PBCMPAWHNRIVOL-UHFFFAOYSA-N 1 2 386.389 4.419 20 0 GIADLO COc1c(C)cnc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)c1C ZINC000571927786 823255256 /nfs/dbraw/zinc/25/52/56/823255256.db2.gz PBCMPAWHNRIVOL-UHFFFAOYSA-N 1 2 386.389 4.419 20 0 GIADLO CCc1ccc(OCc2nnc(SCCn3cc[nH+]c3)n2CC(C)C)cc1 ZINC000121807043 823255282 /nfs/dbraw/zinc/25/52/82/823255282.db2.gz YWSDBXORPFHPFE-UHFFFAOYSA-N 1 2 385.537 4.064 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000121818688 823257495 /nfs/dbraw/zinc/25/74/95/823257495.db2.gz LCALJVGCBOMKKO-HNNXBMFYSA-N 1 2 389.569 4.053 20 0 GIADLO Clc1ccc(OCc2nc(C[N@@H+]3CC4(CCC4)[C@H]4COC[C@@H]43)cs2)cc1 ZINC000459731831 823258222 /nfs/dbraw/zinc/25/82/22/823258222.db2.gz TZRSWRKUPBBYDY-ROUUACIJSA-N 1 2 390.936 4.376 20 0 GIADLO Clc1ccc(OCc2nc(C[N@H+]3CC4(CCC4)[C@H]4COC[C@@H]43)cs2)cc1 ZINC000459731831 823258224 /nfs/dbraw/zinc/25/82/24/823258224.db2.gz TZRSWRKUPBBYDY-ROUUACIJSA-N 1 2 390.936 4.376 20 0 GIADLO COc1ccccc1-c1nnc(SCCn2cc[nH+]c2)n1-c1ccc(C)cc1 ZINC000121857977 823264189 /nfs/dbraw/zinc/26/41/89/823264189.db2.gz NMZHCIDLWRRLJE-UHFFFAOYSA-N 1 2 391.500 4.240 20 0 GIADLO CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1[C@@H](CC)[NH+](C)C ZINC000003553586 817483978 /nfs/dbraw/zinc/48/39/78/817483978.db2.gz FJIXXOHZONPYGL-DOTOQJQBSA-N 1 2 389.569 4.210 20 0 GIADLO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000572047721 823273901 /nfs/dbraw/zinc/27/39/01/823273901.db2.gz TYEMNOAHOVZBKM-SFHVURJKSA-N 1 2 385.467 4.168 20 0 GIADLO Cc1ccccc1Cc1nc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)no1 ZINC000121909124 823275049 /nfs/dbraw/zinc/27/50/49/823275049.db2.gz FRLAOLJRXVGGQI-PMACEKPBSA-N 1 2 395.503 4.430 20 0 GIADLO Cc1ccccc1Cc1nc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)no1 ZINC000121909124 823275052 /nfs/dbraw/zinc/27/50/52/823275052.db2.gz FRLAOLJRXVGGQI-PMACEKPBSA-N 1 2 395.503 4.430 20 0 GIADLO Cc1nn(C(C)C)cc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000572056560 823275327 /nfs/dbraw/zinc/27/53/27/823275327.db2.gz UHTULSJATNZXDJ-GOSISDBHSA-N 1 2 392.906 4.132 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000572081900 823280063 /nfs/dbraw/zinc/28/00/63/823280063.db2.gz YVMYEDSSJWYHNJ-HNNXBMFYSA-N 1 2 383.883 4.117 20 0 GIADLO Cc1sc(NC(=O)CCc2c[nH+]cn2C)nc1-c1ccc(OC(F)F)cc1 ZINC000188661059 823281853 /nfs/dbraw/zinc/28/18/53/823281853.db2.gz PPQFKARUQHIYKK-UHFFFAOYSA-N 1 2 392.431 4.025 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000057373174 823283868 /nfs/dbraw/zinc/28/38/68/823283868.db2.gz JIXOHJWZKMFDRI-QFIPXVFZSA-N 1 2 376.504 4.337 20 0 GIADLO CCOc1ccc([C@H](NC(=O)NCCCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000057374171 823283885 /nfs/dbraw/zinc/28/38/85/823283885.db2.gz IZSLYWZXCXJNCE-JOCHJYFZSA-N 1 2 392.503 4.151 20 0 GIADLO Cc1cc(N)nc(SCC(=O)N2c3ccccc3Sc3ccccc32)[nH+]1 ZINC000007048157 817746755 /nfs/dbraw/zinc/74/67/55/817746755.db2.gz VQWBOQBVGKOSDE-UHFFFAOYSA-N 1 2 380.498 4.289 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000460103913 823285185 /nfs/dbraw/zinc/28/51/85/823285185.db2.gz FTGISWNPSAEXRE-IBGZPJMESA-N 1 2 382.529 4.045 20 0 GIADLO S=c1n2ccccc2nn1C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007142541 817770025 /nfs/dbraw/zinc/77/00/25/817770025.db2.gz RHHBNAFYWUOUID-CQSZACIVSA-N 1 2 381.530 4.312 20 0 GIADLO S=c1n2ccccc2nn1C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007142541 817770029 /nfs/dbraw/zinc/77/00/29/817770029.db2.gz RHHBNAFYWUOUID-CQSZACIVSA-N 1 2 381.530 4.312 20 0 GIADLO Fc1cccc(C2([NH2+]Cn3nc(C(F)(F)F)sc3=S)CCOCC2)c1 ZINC000188715297 823291646 /nfs/dbraw/zinc/29/16/46/823291646.db2.gz PLKJZVCOPUCDHB-UHFFFAOYSA-N 1 2 393.431 4.085 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267137 817808122 /nfs/dbraw/zinc/80/81/22/817808122.db2.gz UTOQJGRFTBTXAH-GXTWGEPZSA-N 1 2 395.286 4.092 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267137 817808131 /nfs/dbraw/zinc/80/81/31/817808131.db2.gz UTOQJGRFTBTXAH-GXTWGEPZSA-N 1 2 395.286 4.092 20 0 GIADLO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)C(=O)Nc1c(C)cc(C)cc1C)CC2 ZINC000007418585 817836421 /nfs/dbraw/zinc/83/64/21/817836421.db2.gz UAAVKXYETZKNPD-KRWDZBQOSA-N 1 2 382.504 4.014 20 0 GIADLO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)C(=O)Nc1c(C)cc(C)cc1C)CC2 ZINC000007418585 817836429 /nfs/dbraw/zinc/83/64/29/817836429.db2.gz UAAVKXYETZKNPD-KRWDZBQOSA-N 1 2 382.504 4.014 20 0 GIADLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000007452371 817844730 /nfs/dbraw/zinc/84/47/30/817844730.db2.gz LVBUJXJLDVRBHT-UHFFFAOYSA-N 1 2 397.302 4.390 20 0 GIADLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000007452371 817844738 /nfs/dbraw/zinc/84/47/38/817844738.db2.gz LVBUJXJLDVRBHT-UHFFFAOYSA-N 1 2 397.302 4.390 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2CCc3[nH]c4ccccc4c3C2)s1 ZINC000122014356 823293156 /nfs/dbraw/zinc/29/31/56/823293156.db2.gz LGZKYTZKMAEEAH-HNNXBMFYSA-N 1 2 396.560 4.073 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2CCc3[nH]c4ccccc4c3C2)s1 ZINC000122014356 823293160 /nfs/dbraw/zinc/29/31/60/823293160.db2.gz LGZKYTZKMAEEAH-HNNXBMFYSA-N 1 2 396.560 4.073 20 0 GIADLO CCc1ccc(-c2noc(C[N@H+](C)Cc3cc(OC)c(OC)cc3C)n2)cc1 ZINC000007582737 817873811 /nfs/dbraw/zinc/87/38/11/817873811.db2.gz IPDGFHDZIATKHC-UHFFFAOYSA-N 1 2 381.476 4.257 20 0 GIADLO CCc1ccc(-c2noc(C[N@@H+](C)Cc3cc(OC)c(OC)cc3C)n2)cc1 ZINC000007582737 817873821 /nfs/dbraw/zinc/87/38/21/817873821.db2.gz IPDGFHDZIATKHC-UHFFFAOYSA-N 1 2 381.476 4.257 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000572175126 823294905 /nfs/dbraw/zinc/29/49/05/823294905.db2.gz ZWGHLRHRVRLVNZ-PBHICJAKSA-N 1 2 396.457 4.247 20 0 GIADLO Cc1ccc(-c2noc(-c3cccc(NC(=O)CCn4cc[nH+]c4)c3)n2)c(F)c1 ZINC000460142664 823295531 /nfs/dbraw/zinc/29/55/31/823295531.db2.gz IJYCTCNQKHAXGU-UHFFFAOYSA-N 1 2 391.406 4.076 20 0 GIADLO O=C(N[C@H](Cc1ccccc1Cl)c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000460146904 823296982 /nfs/dbraw/zinc/29/69/82/823296982.db2.gz RVQRVMNTBPNQFU-HXUWFJFHSA-N 1 2 380.879 4.046 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2cccc3ccccc32)c(OC)c1 ZINC000007730349 817904050 /nfs/dbraw/zinc/90/40/50/817904050.db2.gz CAZCSJQHOAWPAT-QGZVFWFLSA-N 1 2 392.499 4.166 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2cccc3ccccc32)c(OC)c1 ZINC000007730349 817904053 /nfs/dbraw/zinc/90/40/53/817904053.db2.gz CAZCSJQHOAWPAT-QGZVFWFLSA-N 1 2 392.499 4.166 20 0 GIADLO CC[C@H](C)Oc1cccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000057484640 823303182 /nfs/dbraw/zinc/30/31/82/823303182.db2.gz CLMAJUYILPMRAU-KRWDZBQOSA-N 1 2 378.476 4.430 20 0 GIADLO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000122082057 823303243 /nfs/dbraw/zinc/30/32/43/823303243.db2.gz QWQURTJWMHCZOU-IRXDYDNUSA-N 1 2 392.528 4.477 20 0 GIADLO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000122082057 823303249 /nfs/dbraw/zinc/30/32/49/823303249.db2.gz QWQURTJWMHCZOU-IRXDYDNUSA-N 1 2 392.528 4.477 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409763078 823301504 /nfs/dbraw/zinc/30/15/04/823301504.db2.gz HYUDCQOPIAZPAU-ARFHVFGLSA-N 1 2 389.849 4.054 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409763078 823301510 /nfs/dbraw/zinc/30/15/10/823301510.db2.gz HYUDCQOPIAZPAU-ARFHVFGLSA-N 1 2 389.849 4.054 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409763082 823301633 /nfs/dbraw/zinc/30/16/33/823301633.db2.gz HYUDCQOPIAZPAU-JYJNAYRXSA-N 1 2 389.849 4.054 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409763082 823301637 /nfs/dbraw/zinc/30/16/37/823301637.db2.gz HYUDCQOPIAZPAU-JYJNAYRXSA-N 1 2 389.849 4.054 20 0 GIADLO Clc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000057457191 823299294 /nfs/dbraw/zinc/29/92/94/823299294.db2.gz RUQFZNNTNQNVOU-QGZVFWFLSA-N 1 2 397.862 4.498 20 0 GIADLO Clc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000057457191 823299296 /nfs/dbraw/zinc/29/92/96/823299296.db2.gz RUQFZNNTNQNVOU-QGZVFWFLSA-N 1 2 397.862 4.498 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c(F)cccc1SC ZINC000409754598 823299356 /nfs/dbraw/zinc/29/93/56/823299356.db2.gz OCFCIBQWCLQFTE-UHFFFAOYSA-N 1 2 387.524 4.321 20 0 GIADLO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)NCc1ccc(F)cc1 ZINC000008000892 817978586 /nfs/dbraw/zinc/97/85/86/817978586.db2.gz UOJNEUSYXVDMDG-FQEVSTJZSA-N 1 2 386.517 4.213 20 0 GIADLO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)NCc1ccc(F)cc1 ZINC000008000892 817978587 /nfs/dbraw/zinc/97/85/87/817978587.db2.gz UOJNEUSYXVDMDG-FQEVSTJZSA-N 1 2 386.517 4.213 20 0 GIADLO COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000572233034 823305377 /nfs/dbraw/zinc/30/53/77/823305377.db2.gz PBPMIKGDRPBVFK-KLDKWKSESA-N 1 2 394.515 4.047 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCc2cccc(OC(C)C)c2)s1 ZINC000122097122 823306246 /nfs/dbraw/zinc/30/62/46/823306246.db2.gz CYUVXTRDIAYBMN-MRXNPFEDSA-N 1 2 389.565 4.110 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCc2cccc(OC(C)C)c2)s1 ZINC000122097122 823306253 /nfs/dbraw/zinc/30/62/53/823306253.db2.gz CYUVXTRDIAYBMN-MRXNPFEDSA-N 1 2 389.565 4.110 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000011077291 818050425 /nfs/dbraw/zinc/05/04/25/818050425.db2.gz AOSQCSNJHCJXGP-UHFFFAOYSA-N 1 2 393.318 4.178 20 0 GIADLO O=C(NCc1ccc(C2CC2)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000572253121 823308149 /nfs/dbraw/zinc/30/81/49/823308149.db2.gz UPSZNYSGFLKZHW-HXUWFJFHSA-N 1 2 378.520 4.186 20 0 GIADLO CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1c[nH+]c2ccc(C)cn12 ZINC000122158111 823314719 /nfs/dbraw/zinc/31/47/19/823314719.db2.gz QPPKFKHNIMDNAX-UHFFFAOYSA-N 1 2 391.302 4.410 20 0 GIADLO O=C(CCc1cccs1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000011764797 818118079 /nfs/dbraw/zinc/11/80/79/818118079.db2.gz SQAVUTFFCNNCJZ-UHFFFAOYSA-N 1 2 383.542 4.334 20 0 GIADLO O=C(CCc1cccs1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000011764797 818118083 /nfs/dbraw/zinc/11/80/83/818118083.db2.gz SQAVUTFFCNNCJZ-UHFFFAOYSA-N 1 2 383.542 4.334 20 0 GIADLO CC(=O)N(c1nc(CSc2nc(N)cc(C)[nH+]2)cs1)c1ccc(C)cc1C ZINC000057649156 823318701 /nfs/dbraw/zinc/31/87/01/823318701.db2.gz AWEFWNOSWGNYAG-UHFFFAOYSA-N 1 2 399.545 4.417 20 0 GIADLO C[C@H](CNC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21)Cn1cc[nH+]c1 ZINC000176896667 823319812 /nfs/dbraw/zinc/31/98/12/823319812.db2.gz GBFOVGKUJNQWMC-KGLIPLIRSA-N 1 2 388.924 4.018 20 0 GIADLO CCn1c(C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)nc2c1cccc2F ZINC000572322472 823319787 /nfs/dbraw/zinc/31/97/87/823319787.db2.gz GITWQNJRJCJFDQ-UHFFFAOYSA-N 1 2 388.874 4.287 20 0 GIADLO O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)N1CCn2c[nH+]cc2C1 ZINC000572326965 823321309 /nfs/dbraw/zinc/32/13/09/823321309.db2.gz OOQZWBYWMLOLEF-UHFFFAOYSA-N 1 2 388.258 4.300 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000014326600 818235040 /nfs/dbraw/zinc/23/50/40/818235040.db2.gz DBSLPLZRDVDGKH-AWEZNQCLSA-N 1 2 397.500 4.463 20 0 GIADLO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000409842740 823322747 /nfs/dbraw/zinc/32/27/47/823322747.db2.gz FUIAOHKEMMZXPB-BDJLRTHQSA-N 1 2 379.323 4.048 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000015041833 818286102 /nfs/dbraw/zinc/28/61/02/818286102.db2.gz UAJYQLDZSXPTLU-CQSZACIVSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000015041833 818286108 /nfs/dbraw/zinc/28/61/08/818286108.db2.gz UAJYQLDZSXPTLU-CQSZACIVSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)s1 ZINC000015109174 818291040 /nfs/dbraw/zinc/29/10/40/818291040.db2.gz HYNXAHLCGKURBJ-GFCCVEGCSA-N 1 2 397.338 4.287 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000015109174 818291044 /nfs/dbraw/zinc/29/10/44/818291044.db2.gz HYNXAHLCGKURBJ-GFCCVEGCSA-N 1 2 397.338 4.287 20 0 GIADLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000572349670 823325792 /nfs/dbraw/zinc/32/57/92/823325792.db2.gz UQCMLUHSSCCPJQ-ZDUSSCGKSA-N 1 2 389.414 4.311 20 0 GIADLO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000572349670 823325799 /nfs/dbraw/zinc/32/57/99/823325799.db2.gz UQCMLUHSSCCPJQ-ZDUSSCGKSA-N 1 2 389.414 4.311 20 0 GIADLO CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1OC)c1ccccc1 ZINC000015298396 818308149 /nfs/dbraw/zinc/30/81/49/818308149.db2.gz QMZIQQBPEUAZBM-LAUBAEHRSA-N 1 2 384.520 4.182 20 0 GIADLO CCC[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC)c1ccccc1 ZINC000015298396 818308163 /nfs/dbraw/zinc/30/81/63/818308163.db2.gz QMZIQQBPEUAZBM-LAUBAEHRSA-N 1 2 384.520 4.182 20 0 GIADLO CC(C)c1ccc(-c2noc(C[N@H+](C)C[C@@H]3COc4ccccc4O3)n2)cc1 ZINC000015297204 818308306 /nfs/dbraw/zinc/30/83/06/818308306.db2.gz OBNHAMAMYMYTOT-GOSISDBHSA-N 1 2 379.460 4.132 20 0 GIADLO CC(C)c1ccc(-c2noc(C[N@@H+](C)C[C@@H]3COc4ccccc4O3)n2)cc1 ZINC000015297204 818308315 /nfs/dbraw/zinc/30/83/15/818308315.db2.gz OBNHAMAMYMYTOT-GOSISDBHSA-N 1 2 379.460 4.132 20 0 GIADLO CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000015301191 818309840 /nfs/dbraw/zinc/30/98/40/818309840.db2.gz ZCMCBHRKNRCCHV-IBGZPJMESA-N 1 2 391.471 4.407 20 0 GIADLO CCc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000015301191 818309846 /nfs/dbraw/zinc/30/98/46/818309846.db2.gz ZCMCBHRKNRCCHV-IBGZPJMESA-N 1 2 391.471 4.407 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c2cccs2)cc1 ZINC000015521930 818333830 /nfs/dbraw/zinc/33/38/30/818333830.db2.gz ABEXZUJOYDHCNL-OFNKIYASSA-N 1 2 393.556 4.438 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c2cccs2)cc1 ZINC000015521930 818333835 /nfs/dbraw/zinc/33/38/35/818333835.db2.gz ABEXZUJOYDHCNL-OFNKIYASSA-N 1 2 393.556 4.438 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)Cc3csc(CCc4ccccc4)n3)[nH+]c12 ZINC000176942335 823330434 /nfs/dbraw/zinc/33/04/34/823330434.db2.gz MLDSSVCGEGJMJR-HHHXNRCGSA-N 1 2 395.553 4.333 20 0 GIADLO Cc1cc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1-c1ccccc1 ZINC000460252006 823331132 /nfs/dbraw/zinc/33/11/32/823331132.db2.gz AVJLGWAJKARAHF-QFIPXVFZSA-N 1 2 393.531 4.381 20 0 GIADLO CC[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000176947555 823331620 /nfs/dbraw/zinc/33/16/20/823331620.db2.gz KRJADPYNMTYAMX-SFHVURJKSA-N 1 2 391.437 4.379 20 0 GIADLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(OC)ccn1 ZINC000122346869 823341776 /nfs/dbraw/zinc/34/17/76/823341776.db2.gz ZDLRBTZYYMLPHN-UHFFFAOYSA-N 1 2 382.291 4.248 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(OC)ccn1 ZINC000122346869 823341781 /nfs/dbraw/zinc/34/17/81/823341781.db2.gz ZDLRBTZYYMLPHN-UHFFFAOYSA-N 1 2 382.291 4.248 20 0 GIADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000122401670 823349354 /nfs/dbraw/zinc/34/93/54/823349354.db2.gz LYCFDTOSNYKWAY-JOCHJYFZSA-N 1 2 395.503 4.152 20 0 GIADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000122401670 823349360 /nfs/dbraw/zinc/34/93/60/823349360.db2.gz LYCFDTOSNYKWAY-JOCHJYFZSA-N 1 2 395.503 4.152 20 0 GIADLO O=C(Nc1cccc(F)c1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000020543326 818625081 /nfs/dbraw/zinc/62/50/81/818625081.db2.gz KNBLVDXSTPNYJX-UHFFFAOYSA-N 1 2 381.373 4.194 20 0 GIADLO O[C@@H](C[N@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccccc1)c1ccco1 ZINC000189075474 823353012 /nfs/dbraw/zinc/35/30/12/823353012.db2.gz JEDKQXDBPREKQX-IBGZPJMESA-N 1 2 393.418 4.205 20 0 GIADLO O[C@@H](C[N@@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccccc1)c1ccco1 ZINC000189075474 823353020 /nfs/dbraw/zinc/35/30/20/823353020.db2.gz JEDKQXDBPREKQX-IBGZPJMESA-N 1 2 393.418 4.205 20 0 GIADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc3c4ccccc4n(C)c3s2)C[C@H](C)O1 ZINC000021048879 818649975 /nfs/dbraw/zinc/64/99/75/818649975.db2.gz HQGPWEVSIKCFMN-GASCZTMLSA-N 1 2 399.560 4.011 20 0 GIADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc3c4ccccc4n(C)c3s2)C[C@H](C)O1 ZINC000021048879 818649982 /nfs/dbraw/zinc/64/99/82/818649982.db2.gz HQGPWEVSIKCFMN-GASCZTMLSA-N 1 2 399.560 4.011 20 0 GIADLO C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000572527511 823354628 /nfs/dbraw/zinc/35/46/28/823354628.db2.gz YVMXGAOBMMWGST-XMMPIXPASA-N 1 2 391.490 4.237 20 0 GIADLO Cc1ccc(-c2cnc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)s2)c(C)c1 ZINC000572528851 823354776 /nfs/dbraw/zinc/35/47/76/823354776.db2.gz ANIFMFXQJLQBEH-MRXNPFEDSA-N 1 2 381.505 4.320 20 0 GIADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000122455850 823357161 /nfs/dbraw/zinc/35/71/61/823357161.db2.gz NMTHVTAWHPCJQM-INIZCTEOSA-N 1 2 398.457 4.155 20 0 GIADLO Clc1ccccc1-c1nnc(SCC[NH+]2CCOCC2)n1C1CCCC1 ZINC000058044385 823357255 /nfs/dbraw/zinc/35/72/55/823357255.db2.gz PQCMSAAQZNYVHP-UHFFFAOYSA-N 1 2 392.956 4.138 20 0 GIADLO FC(F)(F)c1cccc(NC(=S)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000022272032 818788110 /nfs/dbraw/zinc/78/81/10/818788110.db2.gz MQHXDVNSJXWFPN-UHFFFAOYSA-N 1 2 385.480 4.282 20 0 GIADLO COc1ccccc1NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000409993524 823365534 /nfs/dbraw/zinc/36/55/34/823365534.db2.gz QPTCKLMNEOFQKQ-UHFFFAOYSA-N 1 2 384.867 4.279 20 0 GIADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022772676 818858868 /nfs/dbraw/zinc/85/88/68/818858868.db2.gz YKGGKEWERLPINV-CLNPQZTCSA-N 1 2 399.538 4.498 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022787801 818860702 /nfs/dbraw/zinc/86/07/02/818860702.db2.gz SMNRJGFXLPNRAL-QPGLYAHGSA-N 1 2 397.950 4.306 20 0 GIADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000023040177 818890786 /nfs/dbraw/zinc/89/07/86/818890786.db2.gz BOFHHPBCWOCKHR-LBPRGKRZSA-N 1 2 397.263 4.037 20 0 GIADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000023040177 818890793 /nfs/dbraw/zinc/89/07/93/818890793.db2.gz BOFHHPBCWOCKHR-LBPRGKRZSA-N 1 2 397.263 4.037 20 0 GIADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000023666985 818971667 /nfs/dbraw/zinc/97/16/67/818971667.db2.gz LWLAIYOPBCYNEM-LLVKDONJSA-N 1 2 383.236 4.359 20 0 GIADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000023666985 818971673 /nfs/dbraw/zinc/97/16/73/818971673.db2.gz LWLAIYOPBCYNEM-LLVKDONJSA-N 1 2 383.236 4.359 20 0 GIADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000023667246 818971813 /nfs/dbraw/zinc/97/18/13/818971813.db2.gz QIXYEYXQLFTIHQ-LLVKDONJSA-N 1 2 396.459 4.061 20 0 GIADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000023667246 818971820 /nfs/dbraw/zinc/97/18/20/818971820.db2.gz QIXYEYXQLFTIHQ-LLVKDONJSA-N 1 2 396.459 4.061 20 0 GIADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+](C)CCOc1ccccc1 ZINC000023815079 818985308 /nfs/dbraw/zinc/98/53/08/818985308.db2.gz YQJPYFSCRWNWRC-LSDHHAIUSA-N 1 2 397.544 4.181 20 0 GIADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+](C)CCOc1ccccc1 ZINC000023815079 818985316 /nfs/dbraw/zinc/98/53/16/818985316.db2.gz YQJPYFSCRWNWRC-LSDHHAIUSA-N 1 2 397.544 4.181 20 0 GIADLO CCCn1c2ccccc2n(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1=O ZINC000023845563 818986092 /nfs/dbraw/zinc/98/60/92/818986092.db2.gz RSDIAVTUAFIHAR-UHFFFAOYSA-N 1 2 390.487 4.191 20 0 GIADLO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000122589021 823377779 /nfs/dbraw/zinc/37/77/79/823377779.db2.gz NLTZPSUDUOKZON-AZUAARDMSA-N 1 2 378.520 4.078 20 0 GIADLO CCCCCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000024378638 819052773 /nfs/dbraw/zinc/05/27/73/819052773.db2.gz OLUWXTFDOWKJJK-UHFFFAOYSA-N 1 2 396.531 4.018 20 0 GIADLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1ccc(F)nc1)CC2 ZINC000189284257 823386794 /nfs/dbraw/zinc/38/67/94/823386794.db2.gz CGLNHTFNKPKFOQ-QHCPKHFHSA-N 1 2 378.447 4.386 20 0 GIADLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1ccc(F)nc1)CC2 ZINC000189284257 823386801 /nfs/dbraw/zinc/38/68/01/823386801.db2.gz CGLNHTFNKPKFOQ-QHCPKHFHSA-N 1 2 378.447 4.386 20 0 GIADLO CSc1ccccc1[C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000410105824 823393397 /nfs/dbraw/zinc/39/33/97/823393397.db2.gz OCRYCGGPHHLKBO-MRXNPFEDSA-N 1 2 380.517 4.214 20 0 GIADLO Cc1ccccc1-n1ncc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C(C)C ZINC000189340255 823396856 /nfs/dbraw/zinc/39/68/56/823396856.db2.gz FFOKUWHOZZIZGU-NQIIRXRSSA-N 1 2 391.519 4.224 20 0 GIADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000410135557 823399030 /nfs/dbraw/zinc/39/90/30/823399030.db2.gz NXOQSACAJFIWRC-HLAWJBBLSA-N 1 2 382.552 4.234 20 0 GIADLO COCCCOC1CC[NH+](Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000122715416 823399353 /nfs/dbraw/zinc/39/93/53/823399353.db2.gz YLZBBCZWNYDHLW-UHFFFAOYSA-N 1 2 390.549 4.048 20 0 GIADLO C[C@@H](NC(=O)N[C@@H]1CCCc2c(O)cccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000189363122 823401076 /nfs/dbraw/zinc/40/10/76/823401076.db2.gz OYHIYTRKEKUVBO-FOIQADDNSA-N 1 2 376.460 4.016 20 0 GIADLO COc1ccc(-c2nnc(C[N@H+](C)Cc3ccc(SC)c(OC)c3)o2)cc1 ZINC000058528392 823404098 /nfs/dbraw/zinc/40/40/98/823404098.db2.gz CAWCUUYWEVJFFI-UHFFFAOYSA-N 1 2 385.489 4.108 20 0 GIADLO COc1ccc(-c2nnc(C[N@@H+](C)Cc3ccc(SC)c(OC)c3)o2)cc1 ZINC000058528392 823404104 /nfs/dbraw/zinc/40/41/04/823404104.db2.gz CAWCUUYWEVJFFI-UHFFFAOYSA-N 1 2 385.489 4.108 20 0 GIADLO CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2Cc2ccccc2OC)nc1-c1ccco1 ZINC000058540115 823406510 /nfs/dbraw/zinc/40/65/10/823406510.db2.gz UBDFWLHPTIQGJJ-QGZVFWFLSA-N 1 2 398.532 4.367 20 0 GIADLO CCn1c(=S)n(C[N@H+]2CCC[C@@H]2Cc2ccccc2OC)nc1-c1ccco1 ZINC000058540115 823406512 /nfs/dbraw/zinc/40/65/12/823406512.db2.gz UBDFWLHPTIQGJJ-QGZVFWFLSA-N 1 2 398.532 4.367 20 0 GIADLO COc1cccc([C@H]([NH2+]CC(=O)Nc2ccccc2)c2cc(F)ccc2OC)c1 ZINC000177256271 823411171 /nfs/dbraw/zinc/41/11/71/823411171.db2.gz FANREAHWNGGHHA-QHCPKHFHSA-N 1 2 394.446 4.161 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(Br)c2)c1C ZINC000058601068 823415008 /nfs/dbraw/zinc/41/50/08/823415008.db2.gz DFDAFOWGUWQFHJ-UHFFFAOYSA-N 1 2 378.270 4.133 20 0 GIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)c(C)c1 ZINC000572900288 823416778 /nfs/dbraw/zinc/41/67/78/823416778.db2.gz MIGHAXIKPFHHBC-SFTDATJTSA-N 1 2 378.520 4.215 20 0 GIADLO CCC(CC)c1nnc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)s1 ZINC000058612068 823416956 /nfs/dbraw/zinc/41/69/56/823416956.db2.gz VLIXRSMJGAGIJA-UHFFFAOYSA-N 1 2 377.514 4.126 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccccc2-n2nc(C)cc2C)c1C ZINC000058619234 823418086 /nfs/dbraw/zinc/41/80/86/823418086.db2.gz UNEHUPPOJNXJNT-UHFFFAOYSA-N 1 2 393.491 4.173 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(Cl)c2-n2cccn2)c1C ZINC000058629594 823419869 /nfs/dbraw/zinc/41/98/69/823419869.db2.gz WNKMBUFXKIRSNY-UHFFFAOYSA-N 1 2 399.882 4.210 20 0 GIADLO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CCCCC2)n1 ZINC000189478798 823426043 /nfs/dbraw/zinc/42/60/43/823426043.db2.gz HUEXGFAZUTVAML-HZPDHXFCSA-N 1 2 378.517 4.043 20 0 GIADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000122876449 823427411 /nfs/dbraw/zinc/42/74/11/823427411.db2.gz MJYDZEAQXILXGY-MRXNPFEDSA-N 1 2 381.501 4.312 20 0 GIADLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000122876449 823427414 /nfs/dbraw/zinc/42/74/14/823427414.db2.gz MJYDZEAQXILXGY-MRXNPFEDSA-N 1 2 381.501 4.312 20 0 GIADLO Cc1c[nH+]c2cc(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCCO3)ccn12 ZINC000572983106 823430007 /nfs/dbraw/zinc/43/00/07/823430007.db2.gz HEXGSMCTBPOLFV-KRWDZBQOSA-N 1 2 399.878 4.496 20 0 GIADLO CCC(CC)n1nccc1C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000122905541 823431907 /nfs/dbraw/zinc/43/19/07/823431907.db2.gz GNZJVPBUCHXZRA-UHFFFAOYSA-N 1 2 383.540 4.018 20 0 GIADLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000024679801 819864302 /nfs/dbraw/zinc/86/43/02/819864302.db2.gz FTJWBPIVTYOMQZ-SFHVURJKSA-N 1 2 386.430 4.027 20 0 GIADLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](Cc1ccccc1F)C1CC1 ZINC000024679801 819864310 /nfs/dbraw/zinc/86/43/10/819864310.db2.gz FTJWBPIVTYOMQZ-SFHVURJKSA-N 1 2 386.430 4.027 20 0 GIADLO O=C(N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1(c2cccc(Cl)c2)CC1 ZINC000410252180 823434809 /nfs/dbraw/zinc/43/48/09/823434809.db2.gz MOJDZSTUGZTAEA-INIZCTEOSA-N 1 2 383.923 4.311 20 0 GIADLO Cc1[nH]c2ccccc2c1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000024747388 819871903 /nfs/dbraw/zinc/87/19/03/819871903.db2.gz GYXHKMHUHSVBCN-UHFFFAOYSA-N 1 2 382.533 4.346 20 0 GIADLO CC[C@@H](Oc1ccccc1C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410256120 823436148 /nfs/dbraw/zinc/43/61/48/823436148.db2.gz LNFPMOHCNQXBOS-UYAOXDASSA-N 1 2 381.520 4.091 20 0 GIADLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025056711 819916942 /nfs/dbraw/zinc/91/69/42/819916942.db2.gz TWRMOTOPBFORFC-IBGZPJMESA-N 1 2 383.492 4.075 20 0 GIADLO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000025058186 819917717 /nfs/dbraw/zinc/91/77/17/819917717.db2.gz SLMGBQSNEFBSTD-MRXNPFEDSA-N 1 2 382.529 4.330 20 0 GIADLO COCCc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000189530360 823438305 /nfs/dbraw/zinc/43/83/05/823438305.db2.gz JOBLEQLPDXYGJK-FGZHOGPDSA-N 1 2 390.487 4.122 20 0 GIADLO O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410261558 823438523 /nfs/dbraw/zinc/43/85/23/823438523.db2.gz YPYYJJLSUSKREP-OAHLLOKOSA-N 1 2 393.409 4.138 20 0 GIADLO COc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025242583 819948744 /nfs/dbraw/zinc/94/87/44/819948744.db2.gz ULBSSRKWAFVICO-ZDUSSCGKSA-N 1 2 382.382 4.053 20 0 GIADLO COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025242583 819948747 /nfs/dbraw/zinc/94/87/47/819948747.db2.gz ULBSSRKWAFVICO-ZDUSSCGKSA-N 1 2 382.382 4.053 20 0 GIADLO O=C(Cc1csc2ccccc12)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410264292 823440068 /nfs/dbraw/zinc/44/00/68/823440068.db2.gz GVBLSGSIPFPNJF-MRXNPFEDSA-N 1 2 379.529 4.383 20 0 GIADLO CCCN(CC)c1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410266583 823441094 /nfs/dbraw/zinc/44/10/94/823441094.db2.gz PSZHLGBUIJZKFB-FQEVSTJZSA-N 1 2 394.563 4.476 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C(F)F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189547828 823441629 /nfs/dbraw/zinc/44/16/29/823441629.db2.gz HREYOTZYQGCPBK-SJORKVTESA-N 1 2 381.373 4.469 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C(F)F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189547828 823441633 /nfs/dbraw/zinc/44/16/33/823441633.db2.gz HREYOTZYQGCPBK-SJORKVTESA-N 1 2 381.373 4.469 20 0 GIADLO CCCOc1ccc(CCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410267876 823441761 /nfs/dbraw/zinc/44/17/61/823441761.db2.gz IEDLAWJXGLBFJZ-HXUWFJFHSA-N 1 2 395.547 4.347 20 0 GIADLO CC[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(OC)cc1 ZINC000410268607 823441985 /nfs/dbraw/zinc/44/19/85/823441985.db2.gz USVUNRXZPMFYLC-WIYYLYMNSA-N 1 2 381.520 4.128 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000025380488 819973197 /nfs/dbraw/zinc/97/31/97/819973197.db2.gz MTDHLKBYTOZOJH-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000025380488 819973200 /nfs/dbraw/zinc/97/32/00/819973200.db2.gz MTDHLKBYTOZOJH-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)Nc1ccc(Br)cc1 ZINC000025415785 819977114 /nfs/dbraw/zinc/97/71/14/819977114.db2.gz MGCXZYFFEHNGRB-FQEVSTJZSA-N 1 2 396.288 4.162 20 0 GIADLO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000025509544 819992595 /nfs/dbraw/zinc/99/25/95/819992595.db2.gz ZFHULZKAPYJZNW-KRWDZBQOSA-N 1 2 396.487 4.081 20 0 GIADLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000025530515 819996970 /nfs/dbraw/zinc/99/69/70/819996970.db2.gz HAOUBFMXOKHTOG-ZWKOTPCHSA-N 1 2 396.487 4.081 20 0 GIADLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000025530515 819996977 /nfs/dbraw/zinc/99/69/77/819996977.db2.gz HAOUBFMXOKHTOG-ZWKOTPCHSA-N 1 2 396.487 4.081 20 0 GIADLO Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410276089 823445224 /nfs/dbraw/zinc/44/52/24/823445224.db2.gz NRBXEQDERPUTHE-IBGZPJMESA-N 1 2 395.547 4.436 20 0 GIADLO C[NH+](C)[C@@H](CNC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccsc1 ZINC000025816228 820028473 /nfs/dbraw/zinc/02/84/73/820028473.db2.gz OPQURCYDKWULIM-FQEVSTJZSA-N 1 2 396.487 4.151 20 0 GIADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000026114846 820059941 /nfs/dbraw/zinc/05/99/41/820059941.db2.gz RHLKWQGAYGINFC-HNNXBMFYSA-N 1 2 388.458 4.342 20 0 GIADLO O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000123027066 823450028 /nfs/dbraw/zinc/45/00/28/823450028.db2.gz NAVGNAVDPXJPPE-UHFFFAOYSA-N 1 2 393.340 4.264 20 0 GIADLO Clc1ccc(-n2c(C[NH+]3CCCC3)nnc2SCCc2ccncc2)cc1 ZINC000026238909 820073666 /nfs/dbraw/zinc/07/36/66/820073666.db2.gz DPXCRBVXNLCZBO-UHFFFAOYSA-N 1 2 399.951 4.246 20 0 GIADLO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000573123733 823450523 /nfs/dbraw/zinc/45/05/23/823450523.db2.gz LTMNUNLHKUZPCY-DDUZABMNSA-N 1 2 377.410 4.074 20 0 GIADLO C[C@H]([C@H](C)NC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC000573129911 823451143 /nfs/dbraw/zinc/45/11/43/823451143.db2.gz WVOMLCJVZKMSIR-OTWHNJEPSA-N 1 2 397.519 4.057 20 0 GIADLO COc1ccc(C2(C(=O)N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)CCC2)cc1 ZINC000410293585 823452484 /nfs/dbraw/zinc/45/24/84/823452484.db2.gz WBSAUZZXTCHVFG-SFHVURJKSA-N 1 2 393.531 4.056 20 0 GIADLO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000026470787 820101484 /nfs/dbraw/zinc/10/14/84/820101484.db2.gz GXAKYCSZLYLYQR-OALUTQOASA-N 1 2 391.515 4.129 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccnc(Br)c1 ZINC000177395342 823453095 /nfs/dbraw/zinc/45/30/95/823453095.db2.gz PSVGIVLWDQFLLP-UHFFFAOYSA-N 1 2 397.276 4.296 20 0 GIADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)c(C)c1C ZINC000177400238 823453956 /nfs/dbraw/zinc/45/39/56/823453956.db2.gz OVCCGKZAOACGHK-HNNXBMFYSA-N 1 2 376.547 4.411 20 0 GIADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)c(C)c1C ZINC000177400238 823453957 /nfs/dbraw/zinc/45/39/57/823453957.db2.gz OVCCGKZAOACGHK-HNNXBMFYSA-N 1 2 376.547 4.411 20 0 GIADLO CCc1ccc(C[NH2+][C@H](C)c2nc(-c3ccc(Br)cc3)no2)cn1 ZINC000573140664 823454204 /nfs/dbraw/zinc/45/42/04/823454204.db2.gz ZSZPLKIEYPZATM-GFCCVEGCSA-N 1 2 387.281 4.307 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)NCc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000026638656 820125713 /nfs/dbraw/zinc/12/57/13/820125713.db2.gz IAMJQAYIASRULA-UHFFFAOYSA-N 1 2 398.934 4.168 20 0 GIADLO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000026640040 820126552 /nfs/dbraw/zinc/12/65/52/820126552.db2.gz RRKSWPIPMHYXMX-GOSISDBHSA-N 1 2 394.515 4.234 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc2c(Cl)cccc2n1 ZINC000573154178 823456324 /nfs/dbraw/zinc/45/63/24/823456324.db2.gz OIELTDJEBLJQFJ-UHFFFAOYSA-N 1 2 376.847 4.314 20 0 GIADLO C[C@@]([NH2+]Cc1ccccc1Oc1cccnc1)(C(N)=O)c1cccc(Cl)c1 ZINC000177414216 823456883 /nfs/dbraw/zinc/45/68/83/823456883.db2.gz NZIYKVCSASPHOG-NRFANRHFSA-N 1 2 381.863 4.018 20 0 GIADLO CC(C)[C@@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccccc1 ZINC000026908248 820162422 /nfs/dbraw/zinc/16/24/22/820162422.db2.gz MRXVJKLDYGMRAS-LJQANCHMSA-N 1 2 398.507 4.094 20 0 GIADLO O=C([C@@H]1CCSc2ccccc21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410308302 823458741 /nfs/dbraw/zinc/45/87/41/823458741.db2.gz OKSZHFDKNPWXMB-VQIMIIECSA-N 1 2 381.545 4.205 20 0 GIADLO C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(-c2cccnc2)cc1 ZINC000177428612 823459888 /nfs/dbraw/zinc/45/98/88/823459888.db2.gz KCTSNZJESAPPIS-SFHVURJKSA-N 1 2 397.482 4.495 20 0 GIADLO C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(-c2cccnc2)cc1 ZINC000177428628 823460273 /nfs/dbraw/zinc/46/02/73/823460273.db2.gz KCTSNZJESAPPIS-GOSISDBHSA-N 1 2 397.482 4.495 20 0 GIADLO CC(C)(C)OC(=O)c1cccc(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000410314519 823460505 /nfs/dbraw/zinc/46/05/05/823460505.db2.gz MDSUEFLIEHCBQT-UHFFFAOYSA-N 1 2 382.504 4.086 20 0 GIADLO O=C(CCCOCc1ccccc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410315227 823460738 /nfs/dbraw/zinc/46/07/38/823460738.db2.gz HXFREERCFDTQHW-UHFFFAOYSA-N 1 2 381.520 4.075 20 0 GIADLO Cc1c2cc(F)ccc2oc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027479089 820250175 /nfs/dbraw/zinc/25/01/75/820250175.db2.gz LHAIJTFQAOOVMP-UHFFFAOYSA-N 1 2 377.419 4.098 20 0 GIADLO Cc1cc2occ(CC(=O)NCCc3[nH+]ccn3Cc3ccccc3)c2cc1C ZINC000027482179 820250484 /nfs/dbraw/zinc/25/04/84/820250484.db2.gz MDJFYQOLFXMJRO-UHFFFAOYSA-N 1 2 387.483 4.196 20 0 GIADLO CC[NH+](CC)[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccccc1Cl ZINC000027580123 820263340 /nfs/dbraw/zinc/26/33/40/820263340.db2.gz ROKZAIVZMMCVAW-YUBNGQEKSA-N 1 2 390.955 4.235 20 0 GIADLO CC[NH+](CC)[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccccc1Cl ZINC000027580119 820263410 /nfs/dbraw/zinc/26/34/10/820263410.db2.gz ROKZAIVZMMCVAW-YLPFRIKTSA-N 1 2 390.955 4.235 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)N2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1 ZINC000027674865 820273577 /nfs/dbraw/zinc/27/35/77/820273577.db2.gz GULIQMMYTPFZJW-INIZCTEOSA-N 1 2 391.968 4.163 20 0 GIADLO CCOc1cccc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)c1 ZINC000410337138 823466801 /nfs/dbraw/zinc/46/68/01/823466801.db2.gz HVPBJEPVEDRFRT-INIZCTEOSA-N 1 2 388.533 4.246 20 0 GIADLO CCOc1cccc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c1 ZINC000410337138 823466804 /nfs/dbraw/zinc/46/68/04/823466804.db2.gz HVPBJEPVEDRFRT-INIZCTEOSA-N 1 2 388.533 4.246 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000573217336 823467028 /nfs/dbraw/zinc/46/70/28/823467028.db2.gz BKJVGFABYWNLOJ-MLGOLLRUSA-N 1 2 384.480 4.045 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000573217336 823467031 /nfs/dbraw/zinc/46/70/31/823467031.db2.gz BKJVGFABYWNLOJ-MLGOLLRUSA-N 1 2 384.480 4.045 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123139860 823468937 /nfs/dbraw/zinc/46/89/37/823468937.db2.gz WZGRHOZIHKZWAH-VGSWGCGISA-N 1 2 393.462 4.325 20 0 GIADLO CCc1nc(CNc2[nH+]c3ccccc3n2Cc2cccc(OC)c2)cs1 ZINC000460663461 823470645 /nfs/dbraw/zinc/47/06/45/823470645.db2.gz SQQXRDUWKPACMW-UHFFFAOYSA-N 1 2 378.501 4.146 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(-c4ccccc4)[nH]n3)n2)C1 ZINC000028677915 820349330 /nfs/dbraw/zinc/34/93/30/820349330.db2.gz BJWVPOCXYYUKRG-AWEZNQCLSA-N 1 2 381.505 4.017 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(-c4ccccc4)[nH]n3)n2)C1 ZINC000028677915 820349340 /nfs/dbraw/zinc/34/93/40/820349340.db2.gz BJWVPOCXYYUKRG-AWEZNQCLSA-N 1 2 381.505 4.017 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(-n4cccc4)c3)n2)C1 ZINC000028684164 820350627 /nfs/dbraw/zinc/35/06/27/820350627.db2.gz RPHAAPRCJIPLLD-MRXNPFEDSA-N 1 2 380.517 4.418 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(-n4cccc4)c3)n2)C1 ZINC000028684164 820350629 /nfs/dbraw/zinc/35/06/29/820350629.db2.gz RPHAAPRCJIPLLD-MRXNPFEDSA-N 1 2 380.517 4.418 20 0 GIADLO Cc1cc2ccccc2n1CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000028684682 820351429 /nfs/dbraw/zinc/35/14/29/820351429.db2.gz UGEAPKHYARECPU-OAHLLOKOSA-N 1 2 382.533 4.277 20 0 GIADLO Cc1cc2ccccc2n1CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000028684682 820351438 /nfs/dbraw/zinc/35/14/38/820351438.db2.gz UGEAPKHYARECPU-OAHLLOKOSA-N 1 2 382.533 4.277 20 0 GIADLO O=C(Cc1cccc(OC(F)(F)F)c1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000573261856 823472838 /nfs/dbraw/zinc/47/28/38/823472838.db2.gz COKMHAPETQXFQN-WKILWMFISA-N 1 2 393.409 4.062 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc4c(cc(C)cc4C)[nH]3)CC2)cc1 ZINC000028733354 820354190 /nfs/dbraw/zinc/35/41/90/820354190.db2.gz AKVFPUJJVMJNQQ-UHFFFAOYSA-N 1 2 391.515 4.141 20 0 GIADLO CSc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000029114565 820394487 /nfs/dbraw/zinc/39/44/87/820394487.db2.gz ZAEYSGIFWLRRER-INIZCTEOSA-N 1 2 376.547 4.090 20 0 GIADLO CSc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000029114565 820394497 /nfs/dbraw/zinc/39/44/97/820394497.db2.gz ZAEYSGIFWLRRER-INIZCTEOSA-N 1 2 376.547 4.090 20 0 GIADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177494182 823475803 /nfs/dbraw/zinc/47/58/03/823475803.db2.gz DKLXKAHEDXESGI-AWEZNQCLSA-N 1 2 382.907 4.477 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(-c3ccc(Cl)s3)on2)c1C ZINC000058957927 823476067 /nfs/dbraw/zinc/47/60/67/823476067.db2.gz KBUHQQAZOUGLSD-UHFFFAOYSA-N 1 2 391.880 4.349 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)c1C ZINC000058958368 823476313 /nfs/dbraw/zinc/47/63/13/823476313.db2.gz OBLZZXCXPYGMGV-UHFFFAOYSA-N 1 2 394.496 4.272 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@@H+](C)[C@@H](C)C(C)C)c2=S)c1 ZINC000029541978 820473517 /nfs/dbraw/zinc/47/35/17/820473517.db2.gz ZCEUOFPMOXWAFZ-AWEZNQCLSA-N 1 2 387.553 4.173 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@H+](C)[C@@H](C)C(C)C)c2=S)c1 ZINC000029541978 820473522 /nfs/dbraw/zinc/47/35/22/820473522.db2.gz ZCEUOFPMOXWAFZ-AWEZNQCLSA-N 1 2 387.553 4.173 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000189725662 823482825 /nfs/dbraw/zinc/48/28/25/823482825.db2.gz HABNTMWPMREIOZ-KRWDZBQOSA-N 1 2 396.539 4.020 20 0 GIADLO COc1cccc(C[N@H+](C)Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000029695791 820499419 /nfs/dbraw/zinc/49/94/19/820499419.db2.gz SNAOWIUKKGSEFP-UHFFFAOYSA-N 1 2 395.524 4.468 20 0 GIADLO COc1cccc(C[N@@H+](C)Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000029695791 820499422 /nfs/dbraw/zinc/49/94/22/820499422.db2.gz SNAOWIUKKGSEFP-UHFFFAOYSA-N 1 2 395.524 4.468 20 0 GIADLO Fc1ccc([C@H]2C[C@H]2c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)c(F)c1 ZINC000573363349 823484709 /nfs/dbraw/zinc/48/47/09/823484709.db2.gz GQBJCDMSJNPNIT-RTBURBONSA-N 1 2 397.425 4.118 20 0 GIADLO C[C@H]([NH2+][C@H](c1nccs1)c1ccccc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000123248094 823484990 /nfs/dbraw/zinc/48/49/90/823484990.db2.gz QDEQVYJJKAKJRZ-BWAGFHJFSA-N 1 2 393.556 4.112 20 0 GIADLO Cn1ccnc1[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccccc1Cl ZINC000573371110 823485729 /nfs/dbraw/zinc/48/57/29/823485729.db2.gz POTKRKQECNAIMT-AZUAARDMSA-N 1 2 387.936 4.302 20 0 GIADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827420 820526424 /nfs/dbraw/zinc/52/64/24/820526424.db2.gz OURZUARGFBJHMX-UONOGXRCSA-N 1 2 384.867 4.083 20 0 GIADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827420 820526431 /nfs/dbraw/zinc/52/64/31/820526431.db2.gz OURZUARGFBJHMX-UONOGXRCSA-N 1 2 384.867 4.083 20 0 GIADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C)n1Cc1ccccc1 ZINC000029952960 820556417 /nfs/dbraw/zinc/55/64/17/820556417.db2.gz CKSABGVWOGLUOM-UHFFFAOYSA-N 1 2 393.556 4.173 20 0 GIADLO Cc1nc2ccccc2nc1N1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000030003793 820565939 /nfs/dbraw/zinc/56/59/39/820565939.db2.gz PIWDIGVIQVQMRF-INIZCTEOSA-N 1 2 389.528 4.431 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)COC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189756860 823489100 /nfs/dbraw/zinc/48/91/00/823489100.db2.gz CKYSWZXUTMGZIR-MOPGFXCFSA-N 1 2 389.858 4.076 20 0 GIADLO COc1ccc2cc(/C=C/C(=O)NCc3cc[nH+]c(N4CCCC4)c3)ccc2c1 ZINC000030012505 820568789 /nfs/dbraw/zinc/56/87/89/820568789.db2.gz GWEFGVRPPDYUHI-WEVVVXLNSA-N 1 2 387.483 4.173 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)COC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189756860 823489101 /nfs/dbraw/zinc/48/91/01/823489101.db2.gz CKYSWZXUTMGZIR-MOPGFXCFSA-N 1 2 389.858 4.076 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NCC2(c3ccccc3)CC2)C2CC2)o1 ZINC000030152992 820580003 /nfs/dbraw/zinc/58/00/03/820580003.db2.gz HQEYQDZIVGEZQO-UTKZUKDTSA-N 1 2 378.516 4.215 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NCC2(c3ccccc3)CC2)C2CC2)o1 ZINC000030152992 820580005 /nfs/dbraw/zinc/58/00/05/820580005.db2.gz HQEYQDZIVGEZQO-UTKZUKDTSA-N 1 2 378.516 4.215 20 0 GIADLO O=C(c1ccccn1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030180960 820584992 /nfs/dbraw/zinc/58/49/92/820584992.db2.gz VOZKOLYFSNSHAB-UHFFFAOYSA-N 1 2 397.931 4.422 20 0 GIADLO Cc1noc(C)c1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181657 820585267 /nfs/dbraw/zinc/58/52/67/820585267.db2.gz IAIOEBJCZCWADY-UHFFFAOYSA-N 1 2 399.491 4.117 20 0 GIADLO Cc1nc(-c2cccs2)ccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030218123 820588330 /nfs/dbraw/zinc/58/83/30/820588330.db2.gz VUBBUSNRBASRDZ-UHFFFAOYSA-N 1 2 388.496 4.293 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(COc2ccccc2)cc1 ZINC000030220302 820588953 /nfs/dbraw/zinc/58/89/53/820588953.db2.gz MEKOGUVTDLNDPT-UHFFFAOYSA-N 1 2 397.478 4.440 20 0 GIADLO Cc1cc(OCCCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1Cl ZINC000030220446 820589215 /nfs/dbraw/zinc/58/92/15/820589215.db2.gz XSMUOWLUYSIVSQ-UHFFFAOYSA-N 1 2 397.906 4.369 20 0 GIADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000059390596 823494979 /nfs/dbraw/zinc/49/49/79/823494979.db2.gz IQMWMEBXMNWXKV-IIDMSEBBSA-N 1 2 379.342 4.091 20 0 GIADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000059390596 823494983 /nfs/dbraw/zinc/49/49/83/823494983.db2.gz IQMWMEBXMNWXKV-IIDMSEBBSA-N 1 2 379.342 4.091 20 0 GIADLO CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030563864 820641269 /nfs/dbraw/zinc/64/12/69/820641269.db2.gz ZFHKEAUROQWKHC-GOSISDBHSA-N 1 2 377.488 4.140 20 0 GIADLO COc1cc(OC)cc([C@H]([NH2+]Cc2cc(C)c(C)cc2C)c2nccn2C)c1 ZINC000030649484 820657899 /nfs/dbraw/zinc/65/78/99/820657899.db2.gz OYHWDANBWLHEPR-QFIPXVFZSA-N 1 2 379.504 4.242 20 0 GIADLO CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000177589627 823497156 /nfs/dbraw/zinc/49/71/56/823497156.db2.gz YQTCATFNQBLFJF-SFHVURJKSA-N 1 2 399.878 4.412 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000177588363 823497211 /nfs/dbraw/zinc/49/72/11/823497211.db2.gz CEPWYKAZQOUUEK-SUMWQHHRSA-N 1 2 395.429 4.083 20 0 GIADLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)o1)c1ccc(Cl)cc1 ZINC000030974054 820713611 /nfs/dbraw/zinc/71/36/11/820713611.db2.gz OJZHKBZYTHBVFL-NEPJUHHUSA-N 1 2 399.716 4.393 20 0 GIADLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)o1)c1ccc(Cl)cc1 ZINC000030974054 820713621 /nfs/dbraw/zinc/71/36/21/820713621.db2.gz OJZHKBZYTHBVFL-NEPJUHHUSA-N 1 2 399.716 4.393 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccc(Cl)cc1 ZINC000031005242 820720090 /nfs/dbraw/zinc/72/00/90/820720090.db2.gz AXSXUHWGKZTXCP-GOSISDBHSA-N 1 2 397.862 4.336 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccc(Cl)cc1 ZINC000031005242 820720098 /nfs/dbraw/zinc/72/00/98/820720098.db2.gz AXSXUHWGKZTXCP-GOSISDBHSA-N 1 2 397.862 4.336 20 0 GIADLO CC[N@H+](Cc1csc(CC(=O)NC)n1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000177601098 823499466 /nfs/dbraw/zinc/49/94/66/823499466.db2.gz IKBXXGDVOLGXRX-JOCHJYFZSA-N 1 2 397.519 4.182 20 0 GIADLO CC[N@@H+](Cc1csc(CC(=O)NC)n1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000177601098 823499468 /nfs/dbraw/zinc/49/94/68/823499468.db2.gz IKBXXGDVOLGXRX-JOCHJYFZSA-N 1 2 397.519 4.182 20 0 GIADLO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)cc1OC ZINC000123388213 823504254 /nfs/dbraw/zinc/50/42/54/823504254.db2.gz DZXGLDLCDQSMAE-HUUCEWRRSA-N 1 2 382.464 4.341 20 0 GIADLO CCC(CC)[C@@H](C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1)[NH+]1CCOCC1 ZINC000460764180 823506445 /nfs/dbraw/zinc/50/64/45/823506445.db2.gz DCEHRRBNRWQHRF-NRFANRHFSA-N 1 2 397.519 4.295 20 0 GIADLO Cc1noc(C)c1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000031164798 820757708 /nfs/dbraw/zinc/75/77/08/820757708.db2.gz WFBQUBSRPIBEQW-UHFFFAOYSA-N 1 2 399.491 4.117 20 0 GIADLO O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000060046409 823505641 /nfs/dbraw/zinc/50/56/41/823505641.db2.gz FMWACXWIAQLTHV-UHFFFAOYSA-N 1 2 394.233 4.013 20 0 GIADLO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2nc3ccccc3s2)CC1 ZINC000060038797 823505768 /nfs/dbraw/zinc/50/57/68/823505768.db2.gz PVAGQPXDPQUPRC-UHFFFAOYSA-N 1 2 385.920 4.298 20 0 GIADLO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2nc3ccccc3s2)CC1 ZINC000060038797 823505772 /nfs/dbraw/zinc/50/57/72/823505772.db2.gz PVAGQPXDPQUPRC-UHFFFAOYSA-N 1 2 385.920 4.298 20 0 GIADLO Cc1ccc(-c2cc(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)on2)cc1 ZINC000031264228 820780685 /nfs/dbraw/zinc/78/06/85/820780685.db2.gz RBBNGHQDDOGSKN-UHFFFAOYSA-N 1 2 382.489 4.345 20 0 GIADLO CCCCOc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OCC ZINC000123381396 823503535 /nfs/dbraw/zinc/50/35/35/823503535.db2.gz XMXNKAKSFXPUAX-HKUYNNGSSA-N 1 2 385.508 4.184 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000177673362 823511790 /nfs/dbraw/zinc/51/17/90/823511790.db2.gz JYVILLFISFGTBT-UHFFFAOYSA-N 1 2 379.273 4.276 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000177673362 823511794 /nfs/dbraw/zinc/51/17/94/823511794.db2.gz JYVILLFISFGTBT-UHFFFAOYSA-N 1 2 379.273 4.276 20 0 GIADLO O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000123438323 823509123 /nfs/dbraw/zinc/50/91/23/823509123.db2.gz UECKZSPJPBNCPR-UHFFFAOYSA-N 1 2 399.479 4.430 20 0 GIADLO COCc1ccccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031890051 820870333 /nfs/dbraw/zinc/87/03/33/820870333.db2.gz AZKPZWOCOPHTJW-IBGZPJMESA-N 1 2 390.886 4.192 20 0 GIADLO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000031890383 820870357 /nfs/dbraw/zinc/87/03/57/820870357.db2.gz GPFFSAWTABWFTI-CYBMUJFWSA-N 1 2 379.913 4.188 20 0 GIADLO Cc1noc(C(C)C)c1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031891101 820870589 /nfs/dbraw/zinc/87/05/89/820870589.db2.gz CKYRNERUNVOLSH-INIZCTEOSA-N 1 2 393.890 4.466 20 0 GIADLO CCC(CC)[C@H](C(=O)N[C@H]1CCSc2ccc(Cl)cc21)[NH+]1CCOCC1 ZINC000460790198 823513110 /nfs/dbraw/zinc/51/31/10/823513110.db2.gz LMGXYBOXRSAWSN-PKOBYXMFSA-N 1 2 396.984 4.130 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)C1(c2ccccc2F)CCCC1 ZINC000032314939 820913615 /nfs/dbraw/zinc/91/36/15/820913615.db2.gz CCEJVFSMXHJVFS-UHFFFAOYSA-N 1 2 391.490 4.241 20 0 GIADLO COc1ccccc1-c1csc(C2CC[NH+](CN3CCSC3=O)CC2)n1 ZINC000189935094 823515421 /nfs/dbraw/zinc/51/54/21/823515421.db2.gz BUTKHBPRWWHJFJ-UHFFFAOYSA-N 1 2 389.546 4.124 20 0 GIADLO CCC(CC)[C@@H](C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000460808359 823518165 /nfs/dbraw/zinc/51/81/65/823518165.db2.gz AVKOKPJQCJYOAK-KDOFPFPSSA-N 1 2 386.458 4.020 20 0 GIADLO Cc1cccn2cc(CC(=O)N3CCCc4cc(OC(F)(F)F)ccc43)[nH+]c12 ZINC000060341572 823517297 /nfs/dbraw/zinc/51/72/97/823517297.db2.gz VJHIOZKQLCGGFQ-UHFFFAOYSA-N 1 2 389.377 4.063 20 0 GIADLO O=C(N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000123551373 823520424 /nfs/dbraw/zinc/52/04/24/823520424.db2.gz BXUNRFOMVSMAFZ-UGKGYDQZSA-N 1 2 391.540 4.292 20 0 GIADLO CCCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000189978200 823520658 /nfs/dbraw/zinc/52/06/58/823520658.db2.gz UFGKBJUCQPMMEL-HXUWFJFHSA-N 1 2 386.584 4.006 20 0 GIADLO C[N@H+](CCOc1ccccc1)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000032773069 821006346 /nfs/dbraw/zinc/00/63/46/821006346.db2.gz CGWRBMHOYCROAM-UHFFFAOYSA-N 1 2 394.294 4.071 20 0 GIADLO C[N@@H+](CCOc1ccccc1)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000032773069 821006356 /nfs/dbraw/zinc/00/63/56/821006356.db2.gz CGWRBMHOYCROAM-UHFFFAOYSA-N 1 2 394.294 4.071 20 0 GIADLO COc1cccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000032774577 821006848 /nfs/dbraw/zinc/00/68/48/821006848.db2.gz YIWOPSHOUKHGAH-NRFANRHFSA-N 1 2 398.553 4.082 20 0 GIADLO COc1cccc(CNC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000032774577 821006857 /nfs/dbraw/zinc/00/68/57/821006857.db2.gz YIWOPSHOUKHGAH-NRFANRHFSA-N 1 2 398.553 4.082 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000177755757 823521245 /nfs/dbraw/zinc/52/12/45/823521245.db2.gz CWHRKEWCZJVJSV-UHFFFAOYSA-N 1 2 384.430 4.267 20 0 GIADLO CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000060375636 823521251 /nfs/dbraw/zinc/52/12/51/823521251.db2.gz JAFRMUIBWPUIKQ-OAQYLSRUSA-N 1 2 379.529 4.447 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000032956067 821022614 /nfs/dbraw/zinc/02/26/14/821022614.db2.gz KCQZQGLXCXPIMR-UHFFFAOYSA-N 1 2 393.490 4.475 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)/C=C/c1ccco1 ZINC000060442257 823528200 /nfs/dbraw/zinc/52/82/00/823528200.db2.gz PMRUVNFAZIHCHA-ZHACJKMWSA-N 1 2 379.460 4.007 20 0 GIADLO COc1ccc(N2CC[NH+](Cc3cc4ccc(OC)cc4nc3Cl)CC2)cc1 ZINC000039561539 821114781 /nfs/dbraw/zinc/11/47/81/821114781.db2.gz XOYTYPJUVABNIQ-UHFFFAOYSA-N 1 2 397.906 4.228 20 0 GIADLO COc1ccccc1C[NH+]1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000039973920 821123968 /nfs/dbraw/zinc/12/39/68/821123968.db2.gz UCLIEUOLEKBEPE-UHFFFAOYSA-N 1 2 393.915 4.002 20 0 GIADLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(OC(F)(F)F)c1 ZINC000177848098 823535742 /nfs/dbraw/zinc/53/57/42/823535742.db2.gz GVJXQHJAMLIPHT-GRDNDAEWSA-N 1 2 396.413 4.135 20 0 GIADLO CCOC(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2Br)nc1 ZINC000411479082 823579705 /nfs/dbraw/zinc/57/97/05/823579705.db2.gz VILWHMMXFAGSCH-UHFFFAOYSA-N 1 2 377.282 4.046 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccccc1C(F)(F)F ZINC000177882530 823540827 /nfs/dbraw/zinc/54/08/27/823540827.db2.gz WLQVUSVGGDBOAG-SFHVURJKSA-N 1 2 396.384 4.247 20 0 GIADLO O=C(CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccccc1C(F)(F)F ZINC000177882530 823540829 /nfs/dbraw/zinc/54/08/29/823540829.db2.gz WLQVUSVGGDBOAG-SFHVURJKSA-N 1 2 396.384 4.247 20 0 GIADLO Cc1[nH]c2ccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cc2[nH+]1 ZINC000042060544 821258612 /nfs/dbraw/zinc/25/86/12/821258612.db2.gz RYADSFJAMYXERG-UHFFFAOYSA-N 1 2 399.863 4.306 20 0 GIADLO CCOc1ccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1OCC ZINC000042471245 821308008 /nfs/dbraw/zinc/30/80/08/821308008.db2.gz ZSMMLZFRZWFCGM-UHFFFAOYSA-N 1 2 399.516 4.312 20 0 GIADLO Cn1ccnc1COc1ccc(C[NH+](Cc2ccco2)Cc2ccco2)cc1 ZINC000042743454 821330141 /nfs/dbraw/zinc/33/01/41/821330141.db2.gz DOYGBHRUSRPOKY-UHFFFAOYSA-N 1 2 377.444 4.388 20 0 GIADLO CC[C@@H]1c2ccsc2CCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000043077030 821358579 /nfs/dbraw/zinc/35/85/79/821358579.db2.gz WVAWGQUKJTZXIW-QGZVFWFLSA-N 1 2 385.558 4.473 20 0 GIADLO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H](c1nccn1C)c1ccccc1Cl ZINC000180657301 821385234 /nfs/dbraw/zinc/38/52/34/821385234.db2.gz SPOFCUGIBZJXPT-XMCHAPAWSA-N 1 2 387.886 4.404 20 0 GIADLO COC(=O)CC[C@@H]([NH2+][C@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000180671798 821390162 /nfs/dbraw/zinc/39/01/62/821390162.db2.gz FJHSANKCWVPNFP-DGCLKSJQSA-N 1 2 383.311 4.251 20 0 GIADLO COC(=O)CC[C@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000180671726 821390263 /nfs/dbraw/zinc/39/02/63/821390263.db2.gz FJHSANKCWVPNFP-AAEUAGOBSA-N 1 2 383.311 4.251 20 0 GIADLO O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180711507 821410780 /nfs/dbraw/zinc/41/07/80/821410780.db2.gz ULSCAGYQGRJRJG-ZWKOTPCHSA-N 1 2 392.425 4.227 20 0 GIADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F)c1ccccc1 ZINC000180712123 821411439 /nfs/dbraw/zinc/41/14/39/821411439.db2.gz GQYFGWYNAWUBIK-UPVQGACJSA-N 1 2 392.474 4.212 20 0 GIADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccncc2)cc1F)c1ccccc1 ZINC000180712123 821411443 /nfs/dbraw/zinc/41/14/43/821411443.db2.gz GQYFGWYNAWUBIK-UPVQGACJSA-N 1 2 392.474 4.212 20 0 GIADLO COc1ccccc1-c1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000180724578 821418942 /nfs/dbraw/zinc/41/89/42/821418942.db2.gz FBVVPNGFTYGDNX-IRLDBZIGSA-N 1 2 393.483 4.280 20 0 GIADLO COc1ccccc1-c1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000180724578 821418947 /nfs/dbraw/zinc/41/89/47/821418947.db2.gz FBVVPNGFTYGDNX-IRLDBZIGSA-N 1 2 393.483 4.280 20 0 GIADLO COc1ccccc1-c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000180724556 821419076 /nfs/dbraw/zinc/41/90/76/821419076.db2.gz FBVVPNGFTYGDNX-UNMCSNQZSA-N 1 2 393.483 4.280 20 0 GIADLO COc1ccccc1-c1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000180724556 821419080 /nfs/dbraw/zinc/41/90/80/821419080.db2.gz FBVVPNGFTYGDNX-UNMCSNQZSA-N 1 2 393.483 4.280 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(C(F)(F)F)cc3)cn2c1 ZINC000043507812 821420811 /nfs/dbraw/zinc/42/08/11/821420811.db2.gz GATZAMHANCIHNS-UHFFFAOYSA-N 1 2 393.434 4.211 20 0 GIADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000180793002 821461456 /nfs/dbraw/zinc/46/14/56/821461456.db2.gz AEAUAXHIOUGEID-UHFFFAOYSA-N 1 2 395.404 4.013 20 0 GIADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000180793002 821461459 /nfs/dbraw/zinc/46/14/59/821461459.db2.gz AEAUAXHIOUGEID-UHFFFAOYSA-N 1 2 395.404 4.013 20 0 GIADLO S=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc2ccccc2c1 ZINC000044057442 821513741 /nfs/dbraw/zinc/51/37/41/821513741.db2.gz BPUKRBCLJMQZHB-JOCHJYFZSA-N 1 2 391.540 4.027 20 0 GIADLO S=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc2ccccc2c1 ZINC000044057442 821513751 /nfs/dbraw/zinc/51/37/51/821513751.db2.gz BPUKRBCLJMQZHB-JOCHJYFZSA-N 1 2 391.540 4.027 20 0 GIADLO CCCc1ccccc1NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000044079830 821518106 /nfs/dbraw/zinc/51/81/06/821518106.db2.gz QGJHKZKRMVJZDF-UHFFFAOYSA-N 1 2 381.524 4.215 20 0 GIADLO N#C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181040309 821607214 /nfs/dbraw/zinc/60/72/14/821607214.db2.gz VEWHYACAKTYUGM-QGZVFWFLSA-N 1 2 399.237 4.140 20 0 GIADLO C[C@H](c1nc2ccccc2o1)[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000181119704 821644753 /nfs/dbraw/zinc/64/47/53/821644753.db2.gz KZXSFDXZPFCROI-LLVKDONJSA-N 1 2 376.359 4.351 20 0 GIADLO C[C@H](c1nc2ccccc2o1)[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000181119704 821644759 /nfs/dbraw/zinc/64/47/59/821644759.db2.gz KZXSFDXZPFCROI-LLVKDONJSA-N 1 2 376.359 4.351 20 0 GIADLO O=C(NN(Cc1ccccc1)c1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044882542 821676428 /nfs/dbraw/zinc/67/64/28/821676428.db2.gz NHKOFIVRCZOSRA-UHFFFAOYSA-N 1 2 382.467 4.283 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000044895759 821677631 /nfs/dbraw/zinc/67/76/31/821677631.db2.gz GWADEFLIAYZBGA-FQEVSTJZSA-N 1 2 397.906 4.008 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000044895759 821677635 /nfs/dbraw/zinc/67/76/35/821677635.db2.gz GWADEFLIAYZBGA-FQEVSTJZSA-N 1 2 397.906 4.008 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)no2)cc1 ZINC000181179821 821680983 /nfs/dbraw/zinc/68/09/83/821680983.db2.gz FFVRYRFBTQYCHW-OXJNMPFZSA-N 1 2 379.460 4.003 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000181191890 821687554 /nfs/dbraw/zinc/68/75/54/821687554.db2.gz IWVDJVCBFPQYCA-RXVVDRJESA-N 1 2 377.488 4.226 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)o1 ZINC000181191944 821687619 /nfs/dbraw/zinc/68/76/19/821687619.db2.gz IWVDJVCBFPQYCA-WIYYLYMNSA-N 1 2 377.488 4.226 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc(C)cc3)no2)cc1OC ZINC000045004262 821688858 /nfs/dbraw/zinc/68/88/58/821688858.db2.gz IUGCCVMMCORKKO-SFHVURJKSA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc(C)cc3)no2)cc1OC ZINC000045004262 821688863 /nfs/dbraw/zinc/68/88/63/821688863.db2.gz IUGCCVMMCORKKO-SFHVURJKSA-N 1 2 379.460 4.399 20 0 GIADLO COc1cc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2Cl)ccc1S(C)(=O)=O ZINC000181212968 821700336 /nfs/dbraw/zinc/70/03/36/821700336.db2.gz WIAZDKXJBWRYLY-NWDGAFQWSA-N 1 2 385.888 4.303 20 0 GIADLO Fc1ccc(OCc2noc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181233114 821710208 /nfs/dbraw/zinc/71/02/08/821710208.db2.gz UPLYHVNPISLGMI-OXJNMPFZSA-N 1 2 397.450 4.045 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181269308 821725429 /nfs/dbraw/zinc/72/54/29/821725429.db2.gz RPSRVPGRMGDECT-ZDUSSCGKSA-N 1 2 398.850 4.197 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000181275718 821729059 /nfs/dbraw/zinc/72/90/59/821729059.db2.gz CIAVZZGUEAIVOE-YOEHRIQHSA-N 1 2 386.776 4.072 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000181275718 821729064 /nfs/dbraw/zinc/72/90/64/821729064.db2.gz CIAVZZGUEAIVOE-YOEHRIQHSA-N 1 2 386.776 4.072 20 0 GIADLO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181278212 821730812 /nfs/dbraw/zinc/73/08/12/821730812.db2.gz IGWUGRNQUQUVSY-INIZCTEOSA-N 1 2 387.256 4.150 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)o2)cc1 ZINC000181285743 821735175 /nfs/dbraw/zinc/73/51/75/821735175.db2.gz RVVVBOMUXRJSBO-CVEARBPZSA-N 1 2 392.459 4.413 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1nc(Cc2ccccc2)no1 ZINC000181295245 821740766 /nfs/dbraw/zinc/74/07/66/821740766.db2.gz JUXRPDHYJGRWNG-HOTGVXAUSA-N 1 2 392.459 4.029 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(N2CCOC2=O)c1 ZINC000181302436 821744647 /nfs/dbraw/zinc/74/46/47/821744647.db2.gz PEAFEEYXWQKEOR-ZDUSSCGKSA-N 1 2 398.850 4.197 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1nc(-c2cccs2)no1 ZINC000181322509 821758399 /nfs/dbraw/zinc/75/83/99/821758399.db2.gz NVSHSBFIQKAFOV-QWHCGFSZSA-N 1 2 384.461 4.167 20 0 GIADLO O=C(C[N@H+](Cc1ccccn1)C1CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000181377845 821795195 /nfs/dbraw/zinc/79/51/95/821795195.db2.gz BDGNZECHCYMCPH-JOCHJYFZSA-N 1 2 395.503 4.152 20 0 GIADLO O=C(C[N@@H+](Cc1ccccn1)C1CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000181377845 821795203 /nfs/dbraw/zinc/79/52/03/821795203.db2.gz BDGNZECHCYMCPH-JOCHJYFZSA-N 1 2 395.503 4.152 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nc(Cc2ccccc2)no1)c1ccc(N2CCCC2=O)cc1 ZINC000181389160 821801144 /nfs/dbraw/zinc/80/11/44/821801144.db2.gz LETALDYMBNWMCI-SJORKVTESA-N 1 2 390.487 4.199 20 0 GIADLO Cc1ncc(C[N@@H+](C)[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000181435460 821825771 /nfs/dbraw/zinc/82/57/71/821825771.db2.gz KPDKSYSZXYSFQT-KRWDZBQOSA-N 1 2 397.466 4.093 20 0 GIADLO Cc1ncc(C[N@H+](C)[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000181435460 821825774 /nfs/dbraw/zinc/82/57/74/821825774.db2.gz KPDKSYSZXYSFQT-KRWDZBQOSA-N 1 2 397.466 4.093 20 0 GIADLO CNc1[nH+]cnc2c1cnn2Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000181834167 822011736 /nfs/dbraw/zinc/01/17/36/822011736.db2.gz PGCQTCCVHSKIRS-UHFFFAOYSA-N 1 2 390.394 4.059 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3cccc(N4CCCC4)c3)no2)cc1 ZINC000181854147 822016930 /nfs/dbraw/zinc/01/69/30/822016930.db2.gz WZVJBJUQXKNHHE-INIZCTEOSA-N 1 2 378.476 4.196 20 0 GIADLO COc1cccc(-c2nc(C[N@H+](CCO)Cc3ccc(C)cc3)cs2)c1OC ZINC000181962576 822047154 /nfs/dbraw/zinc/04/71/54/822047154.db2.gz IHQZOOJXEXZZQJ-UHFFFAOYSA-N 1 2 398.528 4.130 20 0 GIADLO COc1cccc(-c2nc(C[N@@H+](CCO)Cc3ccc(C)cc3)cs2)c1OC ZINC000181962576 822047166 /nfs/dbraw/zinc/04/71/66/822047166.db2.gz IHQZOOJXEXZZQJ-UHFFFAOYSA-N 1 2 398.528 4.130 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)o1 ZINC000181976887 822050761 /nfs/dbraw/zinc/05/07/61/822050761.db2.gz GBXCMUDOWJAMAI-QHCPKHFHSA-N 1 2 393.487 4.227 20 0 GIADLO CCCc1c(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cnn1-c1cccc(F)c1 ZINC000182171814 822130157 /nfs/dbraw/zinc/13/01/57/822130157.db2.gz QPYSUISHFOKZPZ-UHFFFAOYSA-N 1 2 389.434 4.402 20 0 GIADLO Cc1cc(C)cc([C@@H]2CCN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C2)c1 ZINC000182262244 822175106 /nfs/dbraw/zinc/17/51/06/822175106.db2.gz MKZSDDDIZHYAIL-JOCHJYFZSA-N 1 2 388.515 4.247 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc4c(c3)C(=O)CCC4)cn2c1 ZINC000177972400 822263941 /nfs/dbraw/zinc/26/39/41/822263941.db2.gz MJFJEGGABSJJJV-UHFFFAOYSA-N 1 2 379.485 4.034 20 0 GIADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000182492848 822265293 /nfs/dbraw/zinc/26/52/93/822265293.db2.gz NLEPWNYZQOZCSG-KRWDZBQOSA-N 1 2 387.549 4.100 20 0 GIADLO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000182505061 822272094 /nfs/dbraw/zinc/27/20/94/822272094.db2.gz SZMRTCOSUMNSQD-LPHOPBHVSA-N 1 2 388.920 4.224 20 0 GIADLO O=C(NCc1ccc(Cl)cc1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178056654 822303485 /nfs/dbraw/zinc/30/34/85/822303485.db2.gz FZRVOWUIAGZTLQ-UXHICEINSA-N 1 2 380.879 4.265 20 0 GIADLO FC(F)(F)CN1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000182588443 822313818 /nfs/dbraw/zinc/31/38/18/822313818.db2.gz NRAQYKUTKURTCU-UHFFFAOYSA-N 1 2 389.874 4.160 20 0 GIADLO COc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1Cc1ccccc1 ZINC000178095187 822317237 /nfs/dbraw/zinc/31/72/37/822317237.db2.gz RIJGNOROQFEEEL-UHFFFAOYSA-N 1 2 378.476 4.037 20 0 GIADLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000178108435 822323081 /nfs/dbraw/zinc/32/30/81/822323081.db2.gz NCHOXKNWGMYEBT-LLVKDONJSA-N 1 2 380.279 4.360 20 0 GIADLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000178108435 822323091 /nfs/dbraw/zinc/32/30/91/822323091.db2.gz NCHOXKNWGMYEBT-LLVKDONJSA-N 1 2 380.279 4.360 20 0 GIADLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)cc1OCC ZINC000178139359 822330493 /nfs/dbraw/zinc/33/04/93/822330493.db2.gz VEWKTQQIGWVMGP-CABCVRRESA-N 1 2 382.464 4.341 20 0 GIADLO COc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1OC1CCCC1 ZINC000182639304 822334398 /nfs/dbraw/zinc/33/43/98/822334398.db2.gz XREJLUZRPDWBEG-UHFFFAOYSA-N 1 2 383.492 4.034 20 0 GIADLO CCc1nc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)sc1C ZINC000178178215 822343082 /nfs/dbraw/zinc/34/30/82/822343082.db2.gz JMAYZSFZIOXKOE-QZTJIDSGSA-N 1 2 381.505 4.261 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccccc1CN1CCc2ccccc21 ZINC000178183775 822345518 /nfs/dbraw/zinc/34/55/18/822345518.db2.gz KBUBFLSPCNEVME-UHFFFAOYSA-N 1 2 397.482 4.219 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2cc(Br)ccc2F)c(OC)c1 ZINC000178221030 822355507 /nfs/dbraw/zinc/35/55/07/822355507.db2.gz PGMUFPOOJLLCRJ-NSHDSACASA-N 1 2 398.272 4.465 20 0 GIADLO COc1cccc([C@@H]([NH2+][C@H](C)c2cn(C)nc2C)c2cc(F)ccc2OC)c1 ZINC000178225219 822356103 /nfs/dbraw/zinc/35/61/03/822356103.db2.gz SLJFSDQUSSBDKS-JLCFBVMHSA-N 1 2 383.467 4.325 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)c1oc2ccccc2c1COc1ccccc1 ZINC000045052487 822359736 /nfs/dbraw/zinc/35/97/36/822359736.db2.gz VSZPQAJVPPEMOF-UHFFFAOYSA-N 1 2 375.428 4.028 20 0 GIADLO CCOc1ccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1OCC ZINC000045053220 822359863 /nfs/dbraw/zinc/35/98/63/822359863.db2.gz DWPDROUBOZWACM-INIZCTEOSA-N 1 2 379.460 4.161 20 0 GIADLO COc1ccc([C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C(C)C)cc1 ZINC000045149124 822365875 /nfs/dbraw/zinc/36/58/75/822365875.db2.gz JKNANTMPBHEYDQ-QFIPXVFZSA-N 1 2 392.503 4.137 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cn3nc(-c4ccc(F)cc4)ccc3=O)C2)c1 ZINC000182795670 822368803 /nfs/dbraw/zinc/36/88/03/822368803.db2.gz YEGWIRDYDMZBJC-LJQANCHMSA-N 1 2 377.463 4.113 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3nc(-c4ccc(F)cc4)ccc3=O)C2)c1 ZINC000182795670 822368807 /nfs/dbraw/zinc/36/88/07/822368807.db2.gz YEGWIRDYDMZBJC-LJQANCHMSA-N 1 2 377.463 4.113 20 0 GIADLO O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178344715 822369461 /nfs/dbraw/zinc/36/94/61/822369461.db2.gz JHVBTFKGCXKVAH-GXRSIYKFSA-N 1 2 390.462 4.106 20 0 GIADLO CC(C)OCC[NH+]1CCN(CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000182819717 822372642 /nfs/dbraw/zinc/37/26/42/822372642.db2.gz GAAIVNMTIKCAKI-UHFFFAOYSA-N 1 2 393.984 4.023 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)n1 ZINC000182845126 822377357 /nfs/dbraw/zinc/37/73/57/822377357.db2.gz VOXXPLFQIQAGGL-AWEZNQCLSA-N 1 2 382.411 4.456 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)n1 ZINC000182845126 822377358 /nfs/dbraw/zinc/37/73/58/822377358.db2.gz VOXXPLFQIQAGGL-AWEZNQCLSA-N 1 2 382.411 4.456 20 0 GIADLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(Br)cc1Cl ZINC000178421235 822377581 /nfs/dbraw/zinc/37/75/81/822377581.db2.gz HCDNAHMKBRBSPJ-OAQYLSRUSA-N 1 2 386.742 4.472 20 0 GIADLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(Br)cc1Cl ZINC000178421235 822377585 /nfs/dbraw/zinc/37/75/85/822377585.db2.gz HCDNAHMKBRBSPJ-OAQYLSRUSA-N 1 2 386.742 4.472 20 0 GIADLO CC(C)Cn1ncnc1C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000182847291 822377957 /nfs/dbraw/zinc/37/79/57/822377957.db2.gz VJQUIFBICRSTPL-UHFFFAOYSA-N 1 2 397.350 4.422 20 0 GIADLO CCS[C@H](C)c1noc(C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000178448600 822380002 /nfs/dbraw/zinc/38/00/02/822380002.db2.gz TVMYBDYKLAUSSF-ZIAGYGMSSA-N 1 2 398.573 4.009 20 0 GIADLO Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c(C)n1Cc1cccs1 ZINC000178497756 822385518 /nfs/dbraw/zinc/38/55/18/822385518.db2.gz OZRCCFAKTMMUMZ-HXUWFJFHSA-N 1 2 396.560 4.140 20 0 GIADLO Cc1cc(C(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c(C)n1Cc1cccs1 ZINC000178497756 822385523 /nfs/dbraw/zinc/38/55/23/822385523.db2.gz OZRCCFAKTMMUMZ-HXUWFJFHSA-N 1 2 396.560 4.140 20 0 GIADLO CCC[C@@H]([NH2+]Cc1sc(C)cc1Br)c1nnc2ccccn21 ZINC000453571614 822386011 /nfs/dbraw/zinc/38/60/11/822386011.db2.gz MZBCYKORIHSQAR-CYBMUJFWSA-N 1 2 379.327 4.493 20 0 GIADLO CCC[C@H]([NH2+]Cc1sc(C)cc1Br)c1nnc2ccccn21 ZINC000453571628 822386199 /nfs/dbraw/zinc/38/61/99/822386199.db2.gz MZBCYKORIHSQAR-ZDUSSCGKSA-N 1 2 379.327 4.493 20 0 GIADLO COc1ccc2c(c1)nc(C[NH2+]Cc1sc(C)cc1Br)n2C ZINC000453578398 822387320 /nfs/dbraw/zinc/38/73/20/822387320.db2.gz YNUZBMVZRBTPIX-UHFFFAOYSA-N 1 2 380.311 4.004 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1c(F)cc(Cl)cc1F ZINC000182904929 822389970 /nfs/dbraw/zinc/38/99/70/822389970.db2.gz HELKWOXWCNFCMH-UHFFFAOYSA-N 1 2 376.794 4.185 20 0 GIADLO CCOc1ccc([C@@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000045491385 822390480 /nfs/dbraw/zinc/39/04/80/822390480.db2.gz QOYFDBIJSNAAQF-NRFANRHFSA-N 1 2 394.519 4.127 20 0 GIADLO COCCOc1ccc([C@@H](C)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1OC ZINC000182909736 822390924 /nfs/dbraw/zinc/39/09/24/822390924.db2.gz KDFWIAJIFXMUNU-OAHLLOKOSA-N 1 2 385.439 4.218 20 0 GIADLO O=C(NCc1ccc(OCc2ccccc2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045708870 822406854 /nfs/dbraw/zinc/40/68/54/822406854.db2.gz QFXYYFIPIRHWSD-UHFFFAOYSA-N 1 2 397.478 4.440 20 0 GIADLO CC[C@H]1c2ccsc2CCN1C(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000183018321 822412121 /nfs/dbraw/zinc/41/21/21/822412121.db2.gz KRIBAJDARKQHNF-ZDUSSCGKSA-N 1 2 394.422 4.048 20 0 GIADLO O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860173 822419331 /nfs/dbraw/zinc/41/93/31/822419331.db2.gz INTHUEJCTBZURV-UHFFFAOYSA-N 1 2 378.432 4.316 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@@H](C[S@](C)=O)c3ccccc3)cs2)cc1 ZINC000183068529 822419993 /nfs/dbraw/zinc/41/99/93/822419993.db2.gz GSQDIPIVIHHFEF-SIBVEZHUSA-N 1 2 386.542 4.028 20 0 GIADLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)n1 ZINC000183075280 822421098 /nfs/dbraw/zinc/42/10/98/822421098.db2.gz HJJLRNWNKOYLSM-DGCLKSJQSA-N 1 2 388.493 4.068 20 0 GIADLO CCOc1cccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000045883448 822421580 /nfs/dbraw/zinc/42/15/80/822421580.db2.gz MIEUPSHQWPCYGW-ROUUACIJSA-N 1 2 397.519 4.016 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cnc3ccc(F)cc3c2)C[C@H](C)O1 ZINC000178984106 822426317 /nfs/dbraw/zinc/42/63/17/822426317.db2.gz AEEXDEVEFKDVQH-HOTGVXAUSA-N 1 2 393.462 4.235 20 0 GIADLO Fc1ccccc1OCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000045965397 822427887 /nfs/dbraw/zinc/42/78/87/822427887.db2.gz XRVCDDFLFUGLNM-UHFFFAOYSA-N 1 2 398.507 4.173 20 0 GIADLO O=C(Nc1cccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1)c1ccccc1 ZINC000046001570 822433167 /nfs/dbraw/zinc/43/31/67/822433167.db2.gz GXMQFMTURDPJNL-UHFFFAOYSA-N 1 2 396.450 4.436 20 0 GIADLO Cc1ccccc1Nc1nc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cs1 ZINC000183168936 822434776 /nfs/dbraw/zinc/43/47/76/822434776.db2.gz FDBMKEIFUYCDMI-SIBVEZHUSA-N 1 2 385.558 4.405 20 0 GIADLO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000183179985 822436560 /nfs/dbraw/zinc/43/65/60/822436560.db2.gz ARFSTWNSKRAJQT-NSHDSACASA-N 1 2 393.274 4.219 20 0 GIADLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(C)Cc3ccco3)CC2)cc1 ZINC000046087281 822440592 /nfs/dbraw/zinc/44/05/92/822440592.db2.gz HQQZNCNKSXTMJV-UHFFFAOYSA-N 1 2 396.531 4.031 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000454231566 822441495 /nfs/dbraw/zinc/44/14/95/822441495.db2.gz UERIIHUZGNNJKZ-LJQANCHMSA-N 1 2 386.446 4.007 20 0 GIADLO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ncc(Br)s1 ZINC000179198122 822449758 /nfs/dbraw/zinc/44/97/58/822449758.db2.gz ZHDVJGHRXCBUKB-NSHDSACASA-N 1 2 394.338 4.495 20 0 GIADLO Cc1csc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000179216997 822452892 /nfs/dbraw/zinc/45/28/92/822452892.db2.gz LYAXRIUZQPWTEQ-IUIKQTSFSA-N 1 2 396.919 4.050 20 0 GIADLO Cc1csc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000179216997 822452894 /nfs/dbraw/zinc/45/28/94/822452894.db2.gz LYAXRIUZQPWTEQ-IUIKQTSFSA-N 1 2 396.919 4.050 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c[nH+]1 ZINC000454302446 822454750 /nfs/dbraw/zinc/45/47/50/822454750.db2.gz OLIIGDIERAVYTE-GOSISDBHSA-N 1 2 390.487 4.233 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000454337390 822459588 /nfs/dbraw/zinc/45/95/88/822459588.db2.gz NCWXWGGNDFKKPS-OAQYLSRUSA-N 1 2 396.441 4.256 20 0 GIADLO COc1cc2c(cc1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)O[C@H](C)C2 ZINC000183337427 822460639 /nfs/dbraw/zinc/46/06/39/822460639.db2.gz FQKGEFQPVMDLTM-CMJOXMDJSA-N 1 2 378.447 4.432 20 0 GIADLO O=C1CCCN1Cc1ccccc1C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183343952 822461775 /nfs/dbraw/zinc/46/17/75/822461775.db2.gz OSDMIMVAAWDNNR-XMMPIXPASA-N 1 2 389.474 4.222 20 0 GIADLO Cc1ccccc1SCC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000046340853 822462766 /nfs/dbraw/zinc/46/27/66/822462766.db2.gz RSWMEZAOGMKEAN-QZTJIDSGSA-N 1 2 384.545 4.335 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CSc2ccc(F)cc2)C[C@@H](C)O1 ZINC000046340919 822463062 /nfs/dbraw/zinc/46/30/62/822463062.db2.gz GFGYJSNNZZVXIH-HZPDHXFCSA-N 1 2 388.508 4.166 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2nc(Cl)ccc2Cl)C[C@@H](C)O1 ZINC000046344008 822463824 /nfs/dbraw/zinc/46/38/24/822463824.db2.gz USEXYVWHQSCFBJ-CHWSQXEVSA-N 1 2 394.302 4.250 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(OC(F)F)cc2)C[C@@H](C)O1 ZINC000046344688 822464073 /nfs/dbraw/zinc/46/40/73/822464073.db2.gz UDDZXUQUNMGHOX-HUUCEWRRSA-N 1 2 390.430 4.150 20 0 GIADLO CCCc1nc(C)c(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000046345634 822464456 /nfs/dbraw/zinc/46/44/56/822464456.db2.gz GWCVFKRKINIQOY-GJZGRUSLSA-N 1 2 387.549 4.266 20 0 GIADLO Cc1cc(C)c(CNC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c[nH+]1 ZINC000454390758 822467466 /nfs/dbraw/zinc/46/74/66/822467466.db2.gz VPSWDLJKKCRWAP-UHFFFAOYSA-N 1 2 394.519 4.217 20 0 GIADLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cn1cccnc1=S)CC2 ZINC000046476540 822476742 /nfs/dbraw/zinc/47/67/42/822476742.db2.gz ZBNKQLMPKRVPMF-NRFANRHFSA-N 1 2 393.512 4.235 20 0 GIADLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cn1cccnc1=S)CC2 ZINC000046476540 822476744 /nfs/dbraw/zinc/47/67/44/822476744.db2.gz ZBNKQLMPKRVPMF-NRFANRHFSA-N 1 2 393.512 4.235 20 0 GIADLO CC[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C(F)F ZINC000454449789 822477723 /nfs/dbraw/zinc/47/77/23/822477723.db2.gz GZCYGFWQERVSFX-FQEVSTJZSA-N 1 2 398.457 4.441 20 0 GIADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2cccc(C(F)F)c2)c2ccc(Cl)cc2)C1 ZINC000179421743 822480180 /nfs/dbraw/zinc/48/01/80/822480180.db2.gz YDAQWZRYYSEDCV-QZTJIDSGSA-N 1 2 394.849 4.079 20 0 GIADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2cccc(C(F)F)c2)c2ccc(Cl)cc2)C1 ZINC000179421743 822480182 /nfs/dbraw/zinc/48/01/82/822480182.db2.gz YDAQWZRYYSEDCV-QZTJIDSGSA-N 1 2 394.849 4.079 20 0 GIADLO CCOc1ccc(-c2noc(C[N@H+](CC)Cc3ccc(OC)c(OC)c3)n2)cc1 ZINC000046586532 822488724 /nfs/dbraw/zinc/48/87/24/822488724.db2.gz DQXAGVOKJAUTSE-UHFFFAOYSA-N 1 2 397.475 4.175 20 0 GIADLO CCOc1ccc(-c2noc(C[N@@H+](CC)Cc3ccc(OC)c(OC)c3)n2)cc1 ZINC000046586532 822488725 /nfs/dbraw/zinc/48/87/25/822488725.db2.gz DQXAGVOKJAUTSE-UHFFFAOYSA-N 1 2 397.475 4.175 20 0 GIADLO COc1ccccc1[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1ccccn1 ZINC000179481760 822489003 /nfs/dbraw/zinc/48/90/03/822489003.db2.gz CGRBXXYEUJVLRR-HJPURHCSSA-N 1 2 375.472 4.489 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c[nH+]1 ZINC000454518307 822489656 /nfs/dbraw/zinc/48/96/56/822489656.db2.gz GTBVZPJVHYTWGV-UHFFFAOYSA-N 1 2 380.492 4.036 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000183533392 822491273 /nfs/dbraw/zinc/49/12/73/822491273.db2.gz WLYBAWVBFPTHQJ-GUYCJALGSA-N 1 2 392.450 4.454 20 0 GIADLO O=C(CCSc1ccc(Cl)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046616786 822493321 /nfs/dbraw/zinc/49/33/21/822493321.db2.gz QEUBMAQDCDZRTR-UHFFFAOYSA-N 1 2 375.925 4.002 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c[nH+]1 ZINC000454542047 822494092 /nfs/dbraw/zinc/49/40/92/822494092.db2.gz ZJCFIJPIRWQPTQ-QGZVFWFLSA-N 1 2 380.492 4.035 20 0 GIADLO CCOc1c(Cl)cc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)cc1OC ZINC000179529698 822497732 /nfs/dbraw/zinc/49/77/32/822497732.db2.gz AEZFIULQZPNUGI-UHFFFAOYSA-N 1 2 388.895 4.264 20 0 GIADLO CCOc1c(Cl)cc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)cc1OC ZINC000179529698 822497733 /nfs/dbraw/zinc/49/77/33/822497733.db2.gz AEZFIULQZPNUGI-UHFFFAOYSA-N 1 2 388.895 4.264 20 0 GIADLO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000183597080 822499090 /nfs/dbraw/zinc/49/90/90/822499090.db2.gz CDKZBOSCGHHMJR-SJKOYZFVSA-N 1 2 387.277 4.381 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(OC(F)F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179550122 822501563 /nfs/dbraw/zinc/50/15/63/822501563.db2.gz NZIGNVNYTOVFEY-IRXDYDNUSA-N 1 2 397.372 4.133 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(OC(F)F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179550122 822501565 /nfs/dbraw/zinc/50/15/65/822501565.db2.gz NZIGNVNYTOVFEY-IRXDYDNUSA-N 1 2 397.372 4.133 20 0 GIADLO C[C@@H]([NH2+][C@H](c1cccc(F)c1)c1ccccn1)c1ccc(S(C)(=O)=O)cc1 ZINC000179550547 822501829 /nfs/dbraw/zinc/50/18/29/822501829.db2.gz UCFUMQVLNAAJMN-QVKFZJNVSA-N 1 2 384.476 4.064 20 0 GIADLO O=C1CCCN1C[C@@H]([NH2+]Cc1c(F)cccc1Br)c1ccccc1 ZINC000179552588 822502170 /nfs/dbraw/zinc/50/21/70/822502170.db2.gz ZLSMCJOFSPJVMS-GOSISDBHSA-N 1 2 391.284 4.042 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1c(C2CC2)nc2sccn12 ZINC000179566850 822504759 /nfs/dbraw/zinc/50/47/59/822504759.db2.gz NZGKTCLSZDGTQM-UHFFFAOYSA-N 1 2 382.533 4.432 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1c(C2CC2)nc2sccn12 ZINC000179566850 822504763 /nfs/dbraw/zinc/50/47/63/822504763.db2.gz NZGKTCLSZDGTQM-UHFFFAOYSA-N 1 2 382.533 4.432 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000183654013 822506602 /nfs/dbraw/zinc/50/66/02/822506602.db2.gz STMJOXNDSXYQHQ-LBPRGKRZSA-N 1 2 393.896 4.041 20 0 GIADLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000179593211 822508945 /nfs/dbraw/zinc/50/89/45/822508945.db2.gz SQPNGGHDOODQEH-LLVKDONJSA-N 1 2 377.311 4.157 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(OC(F)F)cc1 ZINC000179602799 822510942 /nfs/dbraw/zinc/51/09/42/822510942.db2.gz ZCLKJNXODJEBMM-SNVBAGLBSA-N 1 2 381.329 4.467 20 0 GIADLO CCOc1ccc(-c2noc(C[NH2+][C@@H](C)c3cc(OC)c(OC)cc3C)n2)cc1 ZINC000179619554 822514200 /nfs/dbraw/zinc/51/42/00/822514200.db2.gz MEPILSLHUWYCIY-HNNXBMFYSA-N 1 2 397.475 4.312 20 0 GIADLO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000179626446 822515248 /nfs/dbraw/zinc/51/52/48/822515248.db2.gz VXSYGAUMAFCNRV-ZDUSSCGKSA-N 1 2 381.307 4.168 20 0 GIADLO O=C(NCCc1cccc2ccccc21)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046771363 822515423 /nfs/dbraw/zinc/51/54/23/822515423.db2.gz PFZKKMLJEPCGST-UHFFFAOYSA-N 1 2 384.483 4.127 20 0 GIADLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179703024 822531028 /nfs/dbraw/zinc/53/10/28/822531028.db2.gz QDRFFTWSMOIHPF-QPJJXVBHSA-N 1 2 397.950 4.226 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccnn2C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179713702 822533205 /nfs/dbraw/zinc/53/32/05/822533205.db2.gz UHPGYHRNEMZSEM-AEFFLSMTSA-N 1 2 393.894 4.214 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccnn2C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179713702 822533208 /nfs/dbraw/zinc/53/32/08/822533208.db2.gz UHPGYHRNEMZSEM-AEFFLSMTSA-N 1 2 393.894 4.214 20 0 GIADLO C[N@H+](Cc1nc2ccccc2s1)[C@@H](CO)c1cccc(Br)c1 ZINC000179741149 822540374 /nfs/dbraw/zinc/54/03/74/822540374.db2.gz XXSSVJYEORKGSD-HNNXBMFYSA-N 1 2 377.307 4.224 20 0 GIADLO C[N@@H+](Cc1nc2ccccc2s1)[C@@H](CO)c1cccc(Br)c1 ZINC000179741149 822540375 /nfs/dbraw/zinc/54/03/75/822540375.db2.gz XXSSVJYEORKGSD-HNNXBMFYSA-N 1 2 377.307 4.224 20 0 GIADLO Cc1ccn(-c2ccc(C(=O)Nc3nc(C[N@H+]4CCC[C@@H](C)C4)cs3)cc2)n1 ZINC000047073112 822542195 /nfs/dbraw/zinc/54/21/95/822542195.db2.gz HAQYOQFGUHDVIA-OAHLLOKOSA-N 1 2 395.532 4.121 20 0 GIADLO Cc1ccn(-c2ccc(C(=O)Nc3nc(C[N@@H+]4CCC[C@@H](C)C4)cs3)cc2)n1 ZINC000047073112 822542198 /nfs/dbraw/zinc/54/21/98/822542198.db2.gz HAQYOQFGUHDVIA-OAHLLOKOSA-N 1 2 395.532 4.121 20 0 GIADLO COc1ccccc1COC1CC[NH+](CC(=O)c2cc(C)n(C3CC3)c2C)CC1 ZINC000179749653 822542242 /nfs/dbraw/zinc/54/22/42/822542242.db2.gz CSNLUCTUFBFFLQ-UHFFFAOYSA-N 1 2 396.531 4.312 20 0 GIADLO Cc1oc(-c2cccs2)nc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000047073961 822542375 /nfs/dbraw/zinc/54/23/75/822542375.db2.gz NMWLVXRVJPBYHD-UHFFFAOYSA-N 1 2 388.518 4.406 20 0 GIADLO Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000183904285 822543612 /nfs/dbraw/zinc/54/36/12/822543612.db2.gz CGGVHAYPMPLNDD-UYAOXDASSA-N 1 2 381.520 4.290 20 0 GIADLO CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454868038 822548696 /nfs/dbraw/zinc/54/86/96/822548696.db2.gz DODCPTLFONVODQ-UHFFFAOYSA-N 1 2 391.519 4.008 20 0 GIADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1 ZINC000183930549 822549179 /nfs/dbraw/zinc/54/91/79/822549179.db2.gz KDZPIAMBLBZQQK-UHFFFAOYSA-N 1 2 390.509 4.178 20 0 GIADLO CCc1noc(C2CCC([NH2+][C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)CC2)n1 ZINC000183940980 822550977 /nfs/dbraw/zinc/55/09/77/822550977.db2.gz XVAUNJQSPMFVKR-ACBHZAAOSA-N 1 2 399.535 4.201 20 0 GIADLO CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000047249865 822558621 /nfs/dbraw/zinc/55/86/21/822558621.db2.gz NJVLHBSTYQKQEW-UHFFFAOYSA-N 1 2 376.460 4.168 20 0 GIADLO COc1ccc([C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c2ccccc2)cc1 ZINC000047248385 822558634 /nfs/dbraw/zinc/55/86/34/822558634.db2.gz PMPBRUZUDHXYGL-DEOSSOPVSA-N 1 2 397.478 4.459 20 0 GIADLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000047259455 822559611 /nfs/dbraw/zinc/55/96/11/822559611.db2.gz FJARBADWKYHGFA-MRXNPFEDSA-N 1 2 379.529 4.178 20 0 GIADLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000047259455 822559612 /nfs/dbraw/zinc/55/96/12/822559612.db2.gz FJARBADWKYHGFA-MRXNPFEDSA-N 1 2 379.529 4.178 20 0 GIADLO C[C@@H](CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)c1ccc(Cl)cc1 ZINC000179845183 822565060 /nfs/dbraw/zinc/56/50/60/822565060.db2.gz KFLKYHKXSHOBEO-INIZCTEOSA-N 1 2 395.890 4.110 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(-c3ncco3)cc2)CC1 ZINC000184038874 822568871 /nfs/dbraw/zinc/56/88/71/822568871.db2.gz KGSMGAOMAOVAFH-HNNXBMFYSA-N 1 2 382.489 4.314 20 0 GIADLO Cc1cc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc(C)c1O ZINC000047377646 822572449 /nfs/dbraw/zinc/57/24/49/822572449.db2.gz ZSHDYSTUHXNVBH-ZDUSSCGKSA-N 1 2 388.537 4.019 20 0 GIADLO Cc1cc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc(C)c1O ZINC000047377646 822572451 /nfs/dbraw/zinc/57/24/51/822572451.db2.gz ZSHDYSTUHXNVBH-ZDUSSCGKSA-N 1 2 388.537 4.019 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(C(F)(F)F)cc1Cl ZINC000179920545 822577524 /nfs/dbraw/zinc/57/75/24/822577524.db2.gz UJBFGSVGKPNZGH-UHFFFAOYSA-N 1 2 383.801 4.284 20 0 GIADLO O=C(c1cccc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c1)N1CCCCC1 ZINC000179929790 822578943 /nfs/dbraw/zinc/57/89/43/822578943.db2.gz MBEDMKMETIFPAT-UHFFFAOYSA-N 1 2 388.393 4.125 20 0 GIADLO CCN(C(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21)[C@H](C)c1ccc(F)cc1 ZINC000179930119 822579065 /nfs/dbraw/zinc/57/90/65/822579065.db2.gz FYQKEXBPPFCWJS-GFCCVEGCSA-N 1 2 394.372 4.199 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)C[C@H]1n1cc[nH+]c1 ZINC000455119621 822591739 /nfs/dbraw/zinc/59/17/39/822591739.db2.gz QSWLSUWGEYYITJ-VQIMIIECSA-N 1 2 377.448 4.185 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)[C@@H]2CCc3ccccc32)C[C@H](C)O1 ZINC000047569717 822591767 /nfs/dbraw/zinc/59/17/67/822591767.db2.gz ZIVRACTUNZFBOL-IEGUWTFLSA-N 1 2 393.531 4.447 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)[C@@H]2CCc3ccccc32)C[C@H](C)O1 ZINC000047569717 822591769 /nfs/dbraw/zinc/59/17/69/822591769.db2.gz ZIVRACTUNZFBOL-IEGUWTFLSA-N 1 2 393.531 4.447 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)Cc2ccccc2F)C[C@H](C)O1 ZINC000047569446 822591877 /nfs/dbraw/zinc/59/18/77/822591877.db2.gz FGZICYDPSZZSBY-CALCHBBNSA-N 1 2 385.483 4.099 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)Cc2ccccc2F)C[C@H](C)O1 ZINC000047569446 822591879 /nfs/dbraw/zinc/59/18/79/822591879.db2.gz FGZICYDPSZZSBY-CALCHBBNSA-N 1 2 385.483 4.099 20 0 GIADLO Cc1ccccc1-c1noc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)n1 ZINC000179993541 822592484 /nfs/dbraw/zinc/59/24/84/822592484.db2.gz CBTYRQJDZXIYFM-LSDHHAIUSA-N 1 2 376.460 4.342 20 0 GIADLO COc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cn1 ZINC000180051341 822604812 /nfs/dbraw/zinc/60/48/12/822604812.db2.gz PGGVKXYCZVKJOL-QFIPXVFZSA-N 1 2 396.874 4.394 20 0 GIADLO C[C@@H](C1CC1)n1cc(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cn1 ZINC000455197171 822606049 /nfs/dbraw/zinc/60/60/49/822606049.db2.gz AVGGYRUQDVGXES-ZDUSSCGKSA-N 1 2 384.871 4.015 20 0 GIADLO CCOc1cc(C)ccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000047764724 822607647 /nfs/dbraw/zinc/60/76/47/822607647.db2.gz DSCJKZCXAYJLDB-UHFFFAOYSA-N 1 2 378.476 4.003 20 0 GIADLO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797160 822609674 /nfs/dbraw/zinc/60/96/74/822609674.db2.gz DBXYYEPLERVYHM-INIZCTEOSA-N 1 2 394.506 4.191 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 ZINC000455211790 822609681 /nfs/dbraw/zinc/60/96/81/822609681.db2.gz PMIXWJQWEUZZCO-SFTDATJTSA-N 1 2 382.552 4.451 20 0 GIADLO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000184355992 822621287 /nfs/dbraw/zinc/62/12/87/822621287.db2.gz CWSLBCULZJPDSB-INIZCTEOSA-N 1 2 395.890 4.110 20 0 GIADLO Cc1ccc(C2(C(=O)N3CC[NH+]([C@@H](C)c4ccsc4)CC3)CCOCC2)cc1 ZINC000184369442 822623486 /nfs/dbraw/zinc/62/34/86/822623486.db2.gz QFRKHNWNZJQMIL-IBGZPJMESA-N 1 2 398.572 4.010 20 0 GIADLO C[C@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cccnc1 ZINC000048067547 822628935 /nfs/dbraw/zinc/62/89/35/822628935.db2.gz WZJWMUHDFZKPCC-KSSFIOAISA-N 1 2 390.890 4.071 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1OC ZINC000184494676 822645305 /nfs/dbraw/zinc/64/53/05/822645305.db2.gz PJDLFYCNMUHNKN-CHWSQXEVSA-N 1 2 391.537 4.136 20 0 GIADLO CC[C@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1ccccc1OCC(=O)N(C)C ZINC000180242024 822646582 /nfs/dbraw/zinc/64/65/82/822646582.db2.gz LROPXTKLSMKSRE-INIZCTEOSA-N 1 2 396.318 4.096 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184503504 822646759 /nfs/dbraw/zinc/64/67/59/822646759.db2.gz UWVYLUHEVPHIHN-STQMWFEESA-N 1 2 391.537 4.136 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)c1nc(C(C)(C)C)cs1 ZINC000184508643 822647493 /nfs/dbraw/zinc/64/74/93/822647493.db2.gz PYGLRKYKUAHIQC-JTQLQIEISA-N 1 2 392.525 4.479 20 0 GIADLO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1nc(-c2ccccc2)cs1 ZINC000184526059 822651044 /nfs/dbraw/zinc/65/10/44/822651044.db2.gz NDMRDPZKRMOMNI-CYBMUJFWSA-N 1 2 396.903 4.322 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@H+](Cc2cccnc2)C2CC2)c2cccs2)cc1 ZINC000180279800 822653879 /nfs/dbraw/zinc/65/38/79/822653879.db2.gz GQAYKLZTAXKSOX-QHCPKHFHSA-N 1 2 391.540 4.322 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)c2cccs2)cc1 ZINC000180279800 822653880 /nfs/dbraw/zinc/65/38/80/822653880.db2.gz GQAYKLZTAXKSOX-QHCPKHFHSA-N 1 2 391.540 4.322 20 0 GIADLO Cc1nc(NC(=O)NCc2cn3c([nH+]2)CCCC3)sc1Cc1ccc(F)cc1 ZINC000455441724 822654757 /nfs/dbraw/zinc/65/47/57/822654757.db2.gz HMXIXMXZPAEMSV-UHFFFAOYSA-N 1 2 399.495 4.036 20 0 GIADLO COC(=O)C[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(SC)cc1 ZINC000455470198 822660761 /nfs/dbraw/zinc/66/07/61/822660761.db2.gz IFMRYCDRMIHXTR-QGZVFWFLSA-N 1 2 387.505 4.155 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cccc4[nH+]ccn43)s2)cc1 ZINC000180311619 822661632 /nfs/dbraw/zinc/66/16/32/822661632.db2.gz JEVPWKXRWHGYRN-PTNGSMBKSA-N 1 2 395.875 4.483 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c(C)[nH+]1 ZINC000455486544 822664032 /nfs/dbraw/zinc/66/40/32/822664032.db2.gz KZHZLMFBJZQAMH-AWEZNQCLSA-N 1 2 383.427 4.387 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2cc(Br)ccc2F)c2ccc(F)cc2)cn1 ZINC000184609562 822665298 /nfs/dbraw/zinc/66/52/98/822665298.db2.gz GBSOFQJBCUUGBF-SFHVURJKSA-N 1 2 392.247 4.340 20 0 GIADLO CN(C)C(=O)Sc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000184611146 822665486 /nfs/dbraw/zinc/66/54/86/822665486.db2.gz KXBUVTAAGJOYGX-FQEVSTJZSA-N 1 2 398.507 4.212 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(-c3ncco3)c2C)c1C ZINC000455494631 822665639 /nfs/dbraw/zinc/66/56/39/822665639.db2.gz UUCYERMCRVBGLJ-UHFFFAOYSA-N 1 2 380.448 4.334 20 0 GIADLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C(F)(F)F)c1 ZINC000048550452 822671819 /nfs/dbraw/zinc/67/18/19/822671819.db2.gz YOKKUXYGGBTJFL-UHFFFAOYSA-N 1 2 399.438 4.125 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c[nH+]1 ZINC000455535770 822671894 /nfs/dbraw/zinc/67/18/94/822671894.db2.gz BCUAKXJDRJSCGK-SFHVURJKSA-N 1 2 394.302 4.288 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cs1 ZINC000184688475 822676852 /nfs/dbraw/zinc/67/68/52/822676852.db2.gz GESWQKUKCBTINK-LLVKDONJSA-N 1 2 390.509 4.257 20 0 GIADLO O=C(Nc1ccccc1N1CCc2ccccc21)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180414155 822677703 /nfs/dbraw/zinc/67/77/03/822677703.db2.gz SDSDRJGIMSXOQH-IBGZPJMESA-N 1 2 387.487 4.274 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)cs1 ZINC000184696806 822678306 /nfs/dbraw/zinc/67/83/06/822678306.db2.gz YDGPNPVLUQXKME-CQSZACIVSA-N 1 2 380.579 4.128 20 0 GIADLO CCOc1ccc2nc(NC(=O)C[NH2+][C@H](C)c3csc(CC)n3)sc2c1 ZINC000184698499 822678523 /nfs/dbraw/zinc/67/85/23/822678523.db2.gz YCMAGMNYXXSFEZ-LLVKDONJSA-N 1 2 390.534 4.003 20 0 GIADLO COC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccc(C)o1 ZINC000184718706 822681303 /nfs/dbraw/zinc/68/13/03/822681303.db2.gz PNAFANWRQPUCHW-WBMJQRKESA-N 1 2 385.291 4.049 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N2CC[C@H](C)Sc3ccccc32)cs1 ZINC000184722869 822682045 /nfs/dbraw/zinc/68/20/45/822682045.db2.gz MUNJTHHGBGJVMN-UONOGXRCSA-N 1 2 375.563 4.274 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cs1 ZINC000184723021 822682258 /nfs/dbraw/zinc/68/22/58/822682258.db2.gz AUKWUFFUOXZHGP-VIFPVBQESA-N 1 2 389.855 4.250 20 0 GIADLO CC(C)c1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)cs1 ZINC000184724999 822682503 /nfs/dbraw/zinc/68/25/03/822682503.db2.gz LEXXTLLBTSPJJH-NSHDSACASA-N 1 2 382.327 4.318 20 0 GIADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cs1 ZINC000184730038 822683158 /nfs/dbraw/zinc/68/31/58/822683158.db2.gz JZBZOFPVVJAQIR-BQBZGAKWSA-N 1 2 393.381 4.079 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Br)cs1 ZINC000184738242 822684382 /nfs/dbraw/zinc/68/43/82/822684382.db2.gz LMBJLUCTHXEMPD-LLVKDONJSA-N 1 2 382.327 4.066 20 0 GIADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)cs1 ZINC000184740063 822684592 /nfs/dbraw/zinc/68/45/92/822684592.db2.gz YQHMSKYFMMDJMS-VXGBXAGGSA-N 1 2 385.489 4.332 20 0 GIADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)Nc1cccc(C2CC2)n1 ZINC000455618965 822685091 /nfs/dbraw/zinc/68/50/91/822685091.db2.gz FRXAUFOFAWOCCD-HOTGVXAUSA-N 1 2 388.512 4.097 20 0 GIADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)Nc1cccc(C2CC2)n1 ZINC000455618965 822685094 /nfs/dbraw/zinc/68/50/94/822685094.db2.gz FRXAUFOFAWOCCD-HOTGVXAUSA-N 1 2 388.512 4.097 20 0 GIADLO Cc1cccc(COc2cccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)c2)c1 ZINC000180478882 822688804 /nfs/dbraw/zinc/68/88/04/822688804.db2.gz LGVGERMJHSQZDG-OAQYLSRUSA-N 1 2 390.487 4.467 20 0 GIADLO O=C(Nc1ccnc(Oc2ccccc2Cl)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180494755 822691034 /nfs/dbraw/zinc/69/10/34/822691034.db2.gz WWSJUUSBGGHWHU-INIZCTEOSA-N 1 2 397.866 4.420 20 0 GIADLO Cc1cc([C@@H]([NH2+][C@@H](C)CN2CCN(C)CC2)c2ccccc2Cl)ccc1F ZINC000180496924 822691288 /nfs/dbraw/zinc/69/12/88/822691288.db2.gz BRFPDNHVMBBNBO-HTAPYJJXSA-N 1 2 389.946 4.102 20 0 GIADLO CCCCOc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(Cl)c1 ZINC000184828084 822696300 /nfs/dbraw/zinc/69/63/00/822696300.db2.gz HRIMHEORRKASBR-UHFFFAOYSA-N 1 2 379.913 4.216 20 0 GIADLO CCCCOc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(Cl)c1 ZINC000184828084 822696302 /nfs/dbraw/zinc/69/63/02/822696302.db2.gz HRIMHEORRKASBR-UHFFFAOYSA-N 1 2 379.913 4.216 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)o1 ZINC000184829383 822696470 /nfs/dbraw/zinc/69/64/70/822696470.db2.gz YBJXPLIABJKQOH-DAYGRLMNSA-N 1 2 384.476 4.131 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2ccccc2-c2ccccc2)o1 ZINC000184853435 822700699 /nfs/dbraw/zinc/70/06/99/822700699.db2.gz BKKQKZXUVXJMSE-NRFANRHFSA-N 1 2 378.472 4.425 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(Cl)cc1)c1ncc(-c2ccccc2)o1 ZINC000184856716 822701216 /nfs/dbraw/zinc/70/12/16/822701216.db2.gz SCZIRCXAMQPRBS-LSDHHAIUSA-N 1 2 383.879 4.351 20 0 GIADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184855801 822701326 /nfs/dbraw/zinc/70/13/26/822701326.db2.gz QTZCDQVZFOSFOG-HZPDHXFCSA-N 1 2 379.460 4.418 20 0 GIADLO Cc1cccnc1C[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000180555251 822701374 /nfs/dbraw/zinc/70/13/74/822701374.db2.gz APQQTGLDZOHUKJ-UHFFFAOYSA-N 1 2 375.472 4.078 20 0 GIADLO Cc1cccnc1C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000180555251 822701375 /nfs/dbraw/zinc/70/13/75/822701375.db2.gz APQQTGLDZOHUKJ-UHFFFAOYSA-N 1 2 375.472 4.078 20 0 GIADLO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)C2CC2)cc1 ZINC000184872452 822704676 /nfs/dbraw/zinc/70/46/76/822704676.db2.gz WKBUQUNYKVVCRY-GOSISDBHSA-N 1 2 389.499 4.492 20 0 GIADLO CCCC[C@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1cc(C)on1 ZINC000184874099 822705161 /nfs/dbraw/zinc/70/51/61/822705161.db2.gz OOKKMAGAXDIWIB-WBVHZDCISA-N 1 2 382.464 4.486 20 0 GIADLO CCCCCc1ccc(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000049934951 822711553 /nfs/dbraw/zinc/71/15/53/822711553.db2.gz ZDDWFBHDZFYWEB-UHFFFAOYSA-N 1 2 393.531 4.126 20 0 GIADLO Cc1ccc(F)c(Br)c1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000455743971 822718252 /nfs/dbraw/zinc/71/82/52/822718252.db2.gz DNTDWNVTEOBGOF-UHFFFAOYSA-N 1 2 381.249 4.031 20 0 GIADLO Cc1ccc(F)c(Br)c1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000455743971 822718254 /nfs/dbraw/zinc/71/82/54/822718254.db2.gz DNTDWNVTEOBGOF-UHFFFAOYSA-N 1 2 381.249 4.031 20 0 GIADLO CCCn1ncc(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1C1CC1 ZINC000455754459 822720224 /nfs/dbraw/zinc/72/02/24/822720224.db2.gz LBWINNCAJIDFBW-UHFFFAOYSA-N 1 2 398.898 4.331 20 0 GIADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S ZINC000184990014 822722527 /nfs/dbraw/zinc/72/25/27/822722527.db2.gz NUNJLNVXPUHBDT-CRAIPNDOSA-N 1 2 383.521 4.195 20 0 GIADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S ZINC000184990014 822722528 /nfs/dbraw/zinc/72/25/28/822722528.db2.gz NUNJLNVXPUHBDT-CRAIPNDOSA-N 1 2 383.521 4.195 20 0 GIADLO CC[C@@H](C)n1c2ccc(NC(=O)NCc3c[nH+]cn3C)cc2nc1C(F)(F)F ZINC000455781087 822725618 /nfs/dbraw/zinc/72/56/18/822725618.db2.gz GLLYBXWNDXTGCI-LLVKDONJSA-N 1 2 394.401 4.081 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)s1 ZINC000185016746 822725665 /nfs/dbraw/zinc/72/56/65/822725665.db2.gz TWZHBNPKOSIFCJ-ACJLOTCBSA-N 1 2 389.521 4.209 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)s1 ZINC000185016787 822725669 /nfs/dbraw/zinc/72/56/69/822725669.db2.gz TWZHBNPKOSIFCJ-FZKQIMNGSA-N 1 2 389.521 4.209 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)s1 ZINC000185020836 822726174 /nfs/dbraw/zinc/72/61/74/822726174.db2.gz YFHNPPKRMJQKSZ-ZDUSSCGKSA-N 1 2 397.466 4.312 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)s1 ZINC000185022426 822726311 /nfs/dbraw/zinc/72/63/11/822726311.db2.gz PSRWQNCHNOWIPM-CQSZACIVSA-N 1 2 386.546 4.097 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)s1 ZINC000185022406 822726327 /nfs/dbraw/zinc/72/63/27/822726327.db2.gz PSRWQNCHNOWIPM-AWEZNQCLSA-N 1 2 386.546 4.097 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1)c1nccs1 ZINC000185057399 822730261 /nfs/dbraw/zinc/73/02/61/822730261.db2.gz GSHGHIFSMRUBTC-MAUKXSAKSA-N 1 2 393.512 4.442 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)NCc1ccc(COc2ccccc2)cc1)c1nccs1 ZINC000185092927 822736132 /nfs/dbraw/zinc/73/61/32/822736132.db2.gz QUFOVSOLJNOORT-HXUWFJFHSA-N 1 2 395.528 4.079 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1nccs1 ZINC000185094479 822736272 /nfs/dbraw/zinc/73/62/72/822736272.db2.gz YBBPROBQIDXPJI-CRAIPNDOSA-N 1 2 389.521 4.290 20 0 GIADLO C[C@H](Sc1ccccc1Cl)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000051035649 822744588 /nfs/dbraw/zinc/74/45/88/822744588.db2.gz WYEATNCGOFPAJF-INIZCTEOSA-N 1 2 399.947 4.424 20 0 GIADLO C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1nc(C(C)(C)C)no1 ZINC000185178570 822745988 /nfs/dbraw/zinc/74/59/88/822745988.db2.gz JKEDJKGPKYYZSC-QFBILLFUSA-N 1 2 395.503 4.125 20 0 GIADLO O[C@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000051091570 822746475 /nfs/dbraw/zinc/74/64/75/822746475.db2.gz CVBCKVWRGOBQGH-HXRGIAOBSA-N 1 2 390.449 4.070 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000185219945 822750736 /nfs/dbraw/zinc/75/07/36/822750736.db2.gz OUMQBCMMJVVUOK-STQMWFEESA-N 1 2 375.325 4.171 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c(OC)c1 ZINC000051454724 822760630 /nfs/dbraw/zinc/76/06/30/822760630.db2.gz RIKIBNXDCOQXFE-MRXNPFEDSA-N 1 2 396.487 4.101 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c(OC)c1 ZINC000051454724 822760631 /nfs/dbraw/zinc/76/06/31/822760631.db2.gz RIKIBNXDCOQXFE-MRXNPFEDSA-N 1 2 396.487 4.101 20 0 GIADLO Cc1cnc([C@H]([NH2+]Cc2cc3c(cc2Br)OCCO3)C2CC2)s1 ZINC000185299572 822761884 /nfs/dbraw/zinc/76/18/84/822761884.db2.gz SVPDPIUKMRRRMG-MRXNPFEDSA-N 1 2 395.322 4.226 20 0 GIADLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000051531378 822764643 /nfs/dbraw/zinc/76/46/43/822764643.db2.gz OBXDURPJEBELJJ-VBKZILBWSA-N 1 2 390.886 4.252 20 0 GIADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2csc(-c3ncccn3)n2)CC1 ZINC000051538454 822765225 /nfs/dbraw/zinc/76/52/25/822765225.db2.gz OBONMYLPLHWXKB-OAHLLOKOSA-N 1 2 399.951 4.132 20 0 GIADLO C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(Br)cc(F)c1[O-] ZINC000185325668 822766311 /nfs/dbraw/zinc/76/63/11/822766311.db2.gz GHACVJQXBMHDCY-GFCCVEGCSA-N 1 2 382.277 4.232 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+](C)[C@@H](CO)CC(C)C)cs1 ZINC000185338934 822768190 /nfs/dbraw/zinc/76/81/90/822768190.db2.gz WZKCUYKEJDDAOS-LJQANCHMSA-N 1 2 389.565 4.229 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+](C)[C@@H](CO)CC(C)C)cs1 ZINC000185338934 822768192 /nfs/dbraw/zinc/76/81/92/822768192.db2.gz WZKCUYKEJDDAOS-LJQANCHMSA-N 1 2 389.565 4.229 20 0 GIADLO C[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H](c2ccco2)C1 ZINC000174335110 822773357 /nfs/dbraw/zinc/77/33/57/822773357.db2.gz KVXBDPVXKIZUKP-BEFAXECRSA-N 1 2 382.439 4.287 20 0 GIADLO COc1ccccc1[C@H]1CN(C(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)CC[NH2+]1 ZINC000456068217 822773851 /nfs/dbraw/zinc/77/38/51/822773851.db2.gz NPJILPWXARXKDA-RDTXWAMCSA-N 1 2 392.421 4.148 20 0 GIADLO C[C@H](c1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1)C(F)(F)F ZINC000456074556 822774680 /nfs/dbraw/zinc/77/46/80/822774680.db2.gz WBQRLVNKDLXQKW-FZKQIMNGSA-N 1 2 380.385 4.278 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2c(C)noc2-c2ccccc2)c1C ZINC000185465055 822787468 /nfs/dbraw/zinc/78/74/68/822787468.db2.gz PVSLLTQQSMZIGE-UHFFFAOYSA-N 1 2 380.448 4.334 20 0 GIADLO Cc1cccc2nc(C[NH2+]Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)cn21 ZINC000174423671 822788037 /nfs/dbraw/zinc/78/80/37/822788037.db2.gz WCTRHWIKLOFYPO-IBGZPJMESA-N 1 2 385.895 4.144 20 0 GIADLO Cc1ccc(C2=CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 ZINC000052281955 822795633 /nfs/dbraw/zinc/79/56/33/822795633.db2.gz VMZUQRVMSFPKER-UHFFFAOYSA-N 1 2 376.416 4.243 20 0 GIADLO Cc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 ZINC000052281955 822795636 /nfs/dbraw/zinc/79/56/36/822795636.db2.gz VMZUQRVMSFPKER-UHFFFAOYSA-N 1 2 376.416 4.243 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000185576979 822798447 /nfs/dbraw/zinc/79/84/47/822798447.db2.gz WDQSOWYPSCOCNE-CYBMUJFWSA-N 1 2 394.338 4.421 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3nc4cc(Cl)ccc4n3C)CC2)cc1 ZINC000052433822 822799454 /nfs/dbraw/zinc/79/94/54/822799454.db2.gz IPEHEDPSNXIKGO-UHFFFAOYSA-N 1 2 397.906 4.330 20 0 GIADLO CN(C(=O)C[N@H+](C)Cc1ccccc1C(F)(F)F)c1nc2ccccc2s1 ZINC000052508356 822802073 /nfs/dbraw/zinc/80/20/73/822802073.db2.gz CQFNUIMEYMLNCC-UHFFFAOYSA-N 1 2 393.434 4.410 20 0 GIADLO CN(C(=O)C[N@@H+](C)Cc1ccccc1C(F)(F)F)c1nc2ccccc2s1 ZINC000052508356 822802074 /nfs/dbraw/zinc/80/20/74/822802074.db2.gz CQFNUIMEYMLNCC-UHFFFAOYSA-N 1 2 393.434 4.410 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nc(-c2cccs2)no1 ZINC000185619112 822802887 /nfs/dbraw/zinc/80/28/87/822802887.db2.gz AYXBWNNYUXJPKU-VIFPVBQESA-N 1 2 385.415 4.025 20 0 GIADLO COc1ccc(OC)c([C@H](C)NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000174566064 822805687 /nfs/dbraw/zinc/80/56/87/822805687.db2.gz OGQLJXMOUZBNJS-HOTGVXAUSA-N 1 2 394.475 4.011 20 0 GIADLO CCc1ccccc1NC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638529 822806018 /nfs/dbraw/zinc/80/60/18/822806018.db2.gz XGWNCWVOWQINHJ-ICSRJNTNSA-N 1 2 393.314 4.084 20 0 GIADLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638529 822806020 /nfs/dbraw/zinc/80/60/20/822806020.db2.gz XGWNCWVOWQINHJ-ICSRJNTNSA-N 1 2 393.314 4.084 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000052710407 822807913 /nfs/dbraw/zinc/80/79/13/822807913.db2.gz QWKXNBCBHOHSQQ-UHFFFAOYSA-N 1 2 387.911 4.019 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000052710407 822807915 /nfs/dbraw/zinc/80/79/15/822807915.db2.gz QWKXNBCBHOHSQQ-UHFFFAOYSA-N 1 2 387.911 4.019 20 0 GIADLO Cc1ccccc1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000052746520 822809251 /nfs/dbraw/zinc/80/92/51/822809251.db2.gz VXTPKWCMMIQWDD-HNNXBMFYSA-N 1 2 396.516 4.062 20 0 GIADLO COc1ccc(F)cc1CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000185697762 822811117 /nfs/dbraw/zinc/81/11/17/822811117.db2.gz UJEGLYPSBYUNLO-UHFFFAOYSA-N 1 2 379.435 4.215 20 0 GIADLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cccnc2Cl)c2ccccc2)c1 ZINC000174631023 822814746 /nfs/dbraw/zinc/81/47/46/822814746.db2.gz BPFXXZVDLAVXSP-IBGZPJMESA-N 1 2 386.904 4.018 20 0 GIADLO O=C(Nc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1)c1cccs1 ZINC000052909975 822814998 /nfs/dbraw/zinc/81/49/98/822814998.db2.gz JBJYLCITYNNNGZ-UHFFFAOYSA-N 1 2 388.452 4.438 20 0 GIADLO CCC(CC)(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000174634720 822815478 /nfs/dbraw/zinc/81/54/78/822815478.db2.gz BYWIIDCLYWCTIY-UHFFFAOYSA-N 1 2 375.516 4.348 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cccc(OC(F)F)c3)n2)c1 ZINC000174658661 822819634 /nfs/dbraw/zinc/81/96/34/822819634.db2.gz WYAXDKUOXIJLLP-GFCCVEGCSA-N 1 2 375.375 4.197 20 0 GIADLO CC(C)(C)c1nc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cs1 ZINC000053050008 822819842 /nfs/dbraw/zinc/81/98/42/822819842.db2.gz JAEILBUVDFXAAO-UHFFFAOYSA-N 1 2 389.540 4.108 20 0 GIADLO O=C(c1scnc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000053058620 822820323 /nfs/dbraw/zinc/82/03/23/822820323.db2.gz OTVCAXBRRAYUQR-UHFFFAOYSA-N 1 2 397.931 4.344 20 0 GIADLO C[C@H](c1nnc(SCC2(O)CCC(C)CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000174668804 822821145 /nfs/dbraw/zinc/82/11/45/822821145.db2.gz QRYXZAJZCZUISZ-RDYUPDBUSA-N 1 2 392.544 4.062 20 0 GIADLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(-c3ccncc3)cc1F)n2C ZINC000185840998 822826436 /nfs/dbraw/zinc/82/64/36/822826436.db2.gz QWLWBWXVBWWVKV-UHFFFAOYSA-N 1 2 376.435 4.073 20 0 GIADLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(-c3c(F)cccc3F)o1)n2C ZINC000185844756 822826871 /nfs/dbraw/zinc/82/68/71/822826871.db2.gz BKRQGEWCUSQMNU-UHFFFAOYSA-N 1 2 383.398 4.410 20 0 GIADLO Cc1cc(N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)nc(C2CC2)[nH+]1 ZINC000185862904 822828176 /nfs/dbraw/zinc/82/81/76/822828176.db2.gz WGPGCAYMJGTTCS-MRXNPFEDSA-N 1 2 392.272 4.142 20 0 GIADLO Cc1nc(-c2cccs2)sc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053266824 822828352 /nfs/dbraw/zinc/82/83/52/822828352.db2.gz RSEMUIIYQCEQLA-UHFFFAOYSA-N 1 2 389.571 4.030 20 0 GIADLO Cc1nc(-c2cccs2)sc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053266824 822828354 /nfs/dbraw/zinc/82/83/54/822828354.db2.gz RSEMUIIYQCEQLA-UHFFFAOYSA-N 1 2 389.571 4.030 20 0 GIADLO Cc1c(O)ccc2c(C[N@@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)cc(=O)oc12 ZINC000053369439 822832026 /nfs/dbraw/zinc/83/20/26/822832026.db2.gz CDEGWBIWTIHQQL-LJQANCHMSA-N 1 2 385.847 4.034 20 0 GIADLO Cc1c(O)ccc2c(C[N@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)cc(=O)oc12 ZINC000053369439 822832029 /nfs/dbraw/zinc/83/20/29/822832029.db2.gz CDEGWBIWTIHQQL-LJQANCHMSA-N 1 2 385.847 4.034 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCCOc4ccc(F)cc43)cn2c1 ZINC000053368682 822832100 /nfs/dbraw/zinc/83/21/00/822832100.db2.gz CCAQBDBHJULGLY-SFHVURJKSA-N 1 2 399.491 4.045 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N(CC)C1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185918881 822833383 /nfs/dbraw/zinc/83/33/83/822833383.db2.gz YUHQMJFZEUHBSP-ZDUSSCGKSA-N 1 2 377.476 4.384 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000174764440 822834148 /nfs/dbraw/zinc/83/41/48/822834148.db2.gz UZTJCWSYPVIRLQ-UHFFFAOYSA-N 1 2 377.341 4.207 20 0 GIADLO O=C(Nc1cccc(-c2cc[nH]n2)c1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000185942112 822835661 /nfs/dbraw/zinc/83/56/61/822835661.db2.gz PFHAQZYTJZEMOU-YADHBBJMSA-N 1 2 398.470 4.324 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000185964314 822838413 /nfs/dbraw/zinc/83/84/13/822838413.db2.gz JBYTUPURESBGEW-WFASDCNBSA-N 1 2 397.466 4.176 20 0 GIADLO Cc1c(C(=O)NCc2c[nH+]c(C)cc2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC000456866194 822839133 /nfs/dbraw/zinc/83/91/33/822839133.db2.gz UOUBALPGMXAQLJ-UHFFFAOYSA-N 1 2 388.393 4.141 20 0 GIADLO Fc1ccc(-c2ccc(C[NH2+]Cc3nnc4ccc(C(F)(F)F)cn43)o2)cc1 ZINC000053601575 822842188 /nfs/dbraw/zinc/84/21/88/822842188.db2.gz NKUGOAHJYHECHM-UHFFFAOYSA-N 1 2 390.340 4.437 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)CSc3ncccc3Cl)n2)CC1 ZINC000053682937 822844710 /nfs/dbraw/zinc/84/47/10/822844710.db2.gz SKOMBCHQHJUOIH-UHFFFAOYSA-N 1 2 396.969 4.154 20 0 GIADLO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H]3c3ccc(Br)cc3)nc12 ZINC000053714621 822845655 /nfs/dbraw/zinc/84/56/55/822845655.db2.gz OCIGHXQMJQZEMK-SFHVURJKSA-N 1 2 398.304 4.103 20 0 GIADLO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H]3c3ccc(Br)cc3)nc12 ZINC000053714621 822845658 /nfs/dbraw/zinc/84/56/58/822845658.db2.gz OCIGHXQMJQZEMK-SFHVURJKSA-N 1 2 398.304 4.103 20 0 GIADLO O=C(Nc1ccccc1)c1cccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC000186040601 822846478 /nfs/dbraw/zinc/84/64/78/822846478.db2.gz JWDISRWJJGNPOC-UHFFFAOYSA-N 1 2 390.405 4.282 20 0 GIADLO COc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cc(OC)ccc3OC)o2)cc1 ZINC000053782075 822847860 /nfs/dbraw/zinc/84/78/60/822847860.db2.gz RCCYMFOFNFGDSM-LJQANCHMSA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cc(OC)ccc3OC)o2)cc1 ZINC000053782075 822847862 /nfs/dbraw/zinc/84/78/62/822847862.db2.gz RCCYMFOFNFGDSM-LJQANCHMSA-N 1 2 395.459 4.100 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000174896652 822852207 /nfs/dbraw/zinc/85/22/07/822852207.db2.gz JPULSZWWGZIQOD-UHFFFAOYSA-N 1 2 393.318 4.162 20 0 GIADLO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186112287 822852565 /nfs/dbraw/zinc/85/25/65/822852565.db2.gz GBBRZWLXXAIVID-UHFFFAOYSA-N 1 2 399.838 4.436 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1ccccc1OC(C)C ZINC000174900778 822852907 /nfs/dbraw/zinc/85/29/07/822852907.db2.gz CJRITCTUEXUWHG-UHFFFAOYSA-N 1 2 395.547 4.176 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CSc2ccccc21 ZINC000174901404 822852914 /nfs/dbraw/zinc/85/29/14/822852914.db2.gz HVCZMULFVBQUMC-IBGZPJMESA-N 1 2 381.545 4.036 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(c2cccc(F)c2)CC1 ZINC000174906841 822853810 /nfs/dbraw/zinc/85/38/10/822853810.db2.gz VFEAIMPWCAQFHN-UHFFFAOYSA-N 1 2 381.495 4.017 20 0 GIADLO C[C@H](NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)C1CC1 ZINC000053983352 822855423 /nfs/dbraw/zinc/85/54/23/822855423.db2.gz HHPHLPCUHFJWII-AWEZNQCLSA-N 1 2 378.879 4.076 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCCc2cccc(C(F)(F)F)c2)C1 ZINC000186154296 822856354 /nfs/dbraw/zinc/85/63/54/822856354.db2.gz ZSRSNSONSZOFRB-QGZVFWFLSA-N 1 2 393.453 4.243 20 0 GIADLO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000054068533 822861115 /nfs/dbraw/zinc/86/11/15/822861115.db2.gz DIJFFDYCBPATRT-GFCCVEGCSA-N 1 2 397.281 4.120 20 0 GIADLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054300621 822873972 /nfs/dbraw/zinc/87/39/72/822873972.db2.gz QIYMKKCOAYPRFC-SFHVURJKSA-N 1 2 378.516 4.479 20 0 GIADLO CC[C@H](CC(F)F)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457451583 822876130 /nfs/dbraw/zinc/87/61/30/822876130.db2.gz QZONXBWSROAAKR-IUODEOHRSA-N 1 2 376.850 4.414 20 0 GIADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)NC1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000186326700 822876621 /nfs/dbraw/zinc/87/66/21/822876621.db2.gz HYWJLCCWGWSUDK-OAQYLSRUSA-N 1 2 378.520 4.161 20 0 GIADLO C[C@@H](CC(F)(F)F)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457460568 822877287 /nfs/dbraw/zinc/87/72/87/822877287.db2.gz XXQJNTYWAUVOQO-FZMZJTMJSA-N 1 2 380.813 4.321 20 0 GIADLO C[C@@H](Cc1ccccc1F)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000054382584 822879749 /nfs/dbraw/zinc/87/97/49/822879749.db2.gz NVOKQVVDOXPZGK-AWEZNQCLSA-N 1 2 376.501 4.021 20 0 GIADLO O=C(C[N@@H+]1CC[C@H](c2cccnc2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000569100748 822880141 /nfs/dbraw/zinc/88/01/41/822880141.db2.gz PGSJMQILHCRMBV-LBPRGKRZSA-N 1 2 384.694 4.470 20 0 GIADLO O=C(C[N@H+]1CC[C@H](c2cccnc2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000569100748 822880143 /nfs/dbraw/zinc/88/01/43/822880143.db2.gz PGSJMQILHCRMBV-LBPRGKRZSA-N 1 2 384.694 4.470 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2[nH]ccc2C2CC2)cc1 ZINC000457540627 822887939 /nfs/dbraw/zinc/88/79/39/822887939.db2.gz PAADZUBRHGZWTM-UHFFFAOYSA-N 1 2 392.503 4.220 20 0 GIADLO C[C@@](Cc1ccccc1)(NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000457549981 822889451 /nfs/dbraw/zinc/88/94/51/822889451.db2.gz AZQFMVCGNIQZSS-DEOSSOPVSA-N 1 2 388.515 4.142 20 0 GIADLO CC[C@@H](CC(F)F)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457554095 822890196 /nfs/dbraw/zinc/89/01/96/822890196.db2.gz JSFIKJZISLOXOZ-WFASDCNBSA-N 1 2 376.850 4.241 20 0 GIADLO CC[C@@H](CC(F)F)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457554095 822890200 /nfs/dbraw/zinc/89/02/00/822890200.db2.gz JSFIKJZISLOXOZ-WFASDCNBSA-N 1 2 376.850 4.241 20 0 GIADLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000186422656 822892132 /nfs/dbraw/zinc/89/21/32/822892132.db2.gz ZDOPNVSXYOABBX-ZDUSSCGKSA-N 1 2 392.381 4.133 20 0 GIADLO CC(C)(C)OCc1cc(C[NH2+]Cc2cccc(OCc3ccccn3)c2)no1 ZINC000186431277 822893840 /nfs/dbraw/zinc/89/38/40/822893840.db2.gz UZGMVDCJLUWUIK-UHFFFAOYSA-N 1 2 381.476 4.254 20 0 GIADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2cccs2)o1)c1ccccc1 ZINC000175167391 822896569 /nfs/dbraw/zinc/89/65/69/822896569.db2.gz YVFNKDIEXFHYMK-KRWDZBQOSA-N 1 2 381.501 4.188 20 0 GIADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2cccs2)o1)c1ccccc1 ZINC000175167391 822896573 /nfs/dbraw/zinc/89/65/73/822896573.db2.gz YVFNKDIEXFHYMK-KRWDZBQOSA-N 1 2 381.501 4.188 20 0 GIADLO COCC[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccccc1 ZINC000054583055 822896859 /nfs/dbraw/zinc/89/68/59/822896859.db2.gz ABUXWRTXQPCCTF-UHFFFAOYSA-N 1 2 391.393 4.404 20 0 GIADLO COCC[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccccc1 ZINC000054583055 822896863 /nfs/dbraw/zinc/89/68/63/822896863.db2.gz ABUXWRTXQPCCTF-UHFFFAOYSA-N 1 2 391.393 4.404 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC1(Cc2cccc(Cl)c2)CC1 ZINC000457672757 822904805 /nfs/dbraw/zinc/90/48/05/822904805.db2.gz LLRVVNHZJYLNFT-UHFFFAOYSA-N 1 2 394.906 4.159 20 0 GIADLO COC[C@H]1CCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000569311605 822905647 /nfs/dbraw/zinc/90/56/47/822905647.db2.gz YOBDHAVXFDVOII-KRWDZBQOSA-N 1 2 382.508 4.167 20 0 GIADLO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000186503619 822905790 /nfs/dbraw/zinc/90/57/90/822905790.db2.gz MNTOQDWVBXFSFX-GUYCJALGSA-N 1 2 380.330 4.169 20 0 GIADLO C[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H]1c1cccc(F)c1 ZINC000175234033 822910505 /nfs/dbraw/zinc/91/05/05/822910505.db2.gz ZRRFCVYUFXDOFF-IERDGZPVSA-N 1 2 382.483 4.114 20 0 GIADLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569358507 822911093 /nfs/dbraw/zinc/91/10/93/822911093.db2.gz SKKAASWMQXORNJ-CEMLEFRQSA-N 1 2 392.547 4.445 20 0 GIADLO COc1ccc([C@H]([NH2+]Cc2ccc(OC)nc2OC)c2ccc(F)cc2)cc1 ZINC000569373768 822912663 /nfs/dbraw/zinc/91/26/63/822912663.db2.gz YDGKLDBUADZRAR-OAQYLSRUSA-N 1 2 382.435 4.126 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Br)s1 ZINC000175247519 822913462 /nfs/dbraw/zinc/91/34/62/822913462.db2.gz PIQGBVUZDHAXEQ-VXGBXAGGSA-N 1 2 382.327 4.200 20 0 GIADLO O=C(c1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1)N1CCCCC1 ZINC000054808981 822914685 /nfs/dbraw/zinc/91/46/85/822914685.db2.gz SMMIHDBJXMJIPQ-JOCHJYFZSA-N 1 2 382.479 4.025 20 0 GIADLO O=C(c1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1)N1CCCCC1 ZINC000054808981 822914687 /nfs/dbraw/zinc/91/46/87/822914687.db2.gz SMMIHDBJXMJIPQ-JOCHJYFZSA-N 1 2 382.479 4.025 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)cc(C(=O)OC(C)(C)C)c1 ZINC000457752793 822914762 /nfs/dbraw/zinc/91/47/62/822914762.db2.gz IKUBYVNDDYQBSN-UHFFFAOYSA-N 1 2 399.535 4.262 20 0 GIADLO Cc1ccc(CSc2nnc(-c3ccncc3)n2CC(F)(F)F)c(C)[nH+]1 ZINC000186597441 822920954 /nfs/dbraw/zinc/92/09/54/822920954.db2.gz XTRDSIINSDKZJV-UHFFFAOYSA-N 1 2 379.411 4.207 20 0 GIADLO CCN(CC1CC[NH+](Cc2csc([C@@H](C)OC)n2)CC1)C(=O)OC(C)(C)C ZINC000175288749 822925341 /nfs/dbraw/zinc/92/53/41/822925341.db2.gz SLPHRXXSGNESPT-OAHLLOKOSA-N 1 2 397.585 4.320 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2ccc(N3CCCC3=O)cc2)no1)c1ccc(Cl)cc1 ZINC000569473072 822927025 /nfs/dbraw/zinc/92/70/25/822927025.db2.gz UXIYREPYTYLHCI-IBGZPJMESA-N 1 2 396.878 4.168 20 0 GIADLO O=C([O-])c1ccccc1CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000569472660 822927089 /nfs/dbraw/zinc/92/70/89/822927089.db2.gz MGTBXMMMXNFJJE-UHFFFAOYSA-N 1 2 375.472 4.025 20 0 GIADLO C[C@H]1CCc2c(sc3nc(C[N@@H+]4CCC=C(c5ccccn5)C4)nc(N)c23)C1 ZINC000569499380 822930208 /nfs/dbraw/zinc/93/02/08/822930208.db2.gz BKCGFOLQAUNOGQ-AWEZNQCLSA-N 1 2 391.544 4.083 20 0 GIADLO C[C@H]1CCc2c(sc3nc(C[N@H+]4CCC=C(c5ccccn5)C4)nc(N)c23)C1 ZINC000569499380 822930210 /nfs/dbraw/zinc/93/02/10/822930210.db2.gz BKCGFOLQAUNOGQ-AWEZNQCLSA-N 1 2 391.544 4.083 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(Cl)c2cccnc12 ZINC000569541122 822937238 /nfs/dbraw/zinc/93/72/38/822937238.db2.gz KMCXKONVMFWZKH-UHFFFAOYSA-N 1 2 386.789 4.463 20 0 GIADLO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)CCO2 ZINC000186698660 822940088 /nfs/dbraw/zinc/94/00/88/822940088.db2.gz WJJPISZSBMCECT-UNMCSNQZSA-N 1 2 381.451 4.161 20 0 GIADLO CCOc1ccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c(C)c1 ZINC000175364454 822947150 /nfs/dbraw/zinc/94/71/50/822947150.db2.gz OHLPQHGGWGXXGW-UHFFFAOYSA-N 1 2 396.535 4.250 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000186736138 822947348 /nfs/dbraw/zinc/94/73/48/822947348.db2.gz BCIMCVRNNISJOZ-QGZVFWFLSA-N 1 2 388.393 4.018 20 0 GIADLO CC(C)OCCCN(C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000569652580 822950481 /nfs/dbraw/zinc/95/04/81/822950481.db2.gz HHZMTSIVXCFHKV-SFHVURJKSA-N 1 2 399.938 4.073 20 0 GIADLO CCOC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@@H]1c1cccc(C)n1)n2CC ZINC000569764289 822965489 /nfs/dbraw/zinc/96/54/89/822965489.db2.gz SULGQYYXBPZZBM-HXUWFJFHSA-N 1 2 392.503 4.273 20 0 GIADLO CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@@H]1c1cccc(C)n1)n2CC ZINC000569764289 822965492 /nfs/dbraw/zinc/96/54/92/822965492.db2.gz SULGQYYXBPZZBM-HXUWFJFHSA-N 1 2 392.503 4.273 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000055536124 822975763 /nfs/dbraw/zinc/97/57/63/822975763.db2.gz XTJZEOHYJJRAFQ-UHFFFAOYSA-N 1 2 384.483 4.176 20 0 GIADLO OC1(Cc2cccc(F)c2)CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000186935352 822983516 /nfs/dbraw/zinc/98/35/16/822983516.db2.gz DMVRHNNYMNDJCE-UHFFFAOYSA-N 1 2 396.531 4.443 20 0 GIADLO O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000569908098 822984392 /nfs/dbraw/zinc/98/43/92/822984392.db2.gz LMKSTSSWUDDMIK-KRWDZBQOSA-N 1 2 398.473 4.230 20 0 GIADLO COc1ccc(-c2cnc(C[NH+]3CCC(Oc4cncc(Cl)c4)CC3)o2)cc1 ZINC000569937312 822987755 /nfs/dbraw/zinc/98/77/55/822987755.db2.gz JOJZHMSWQCWEMY-UHFFFAOYSA-N 1 2 399.878 4.442 20 0 GIADLO C[N@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)[C@H]1CCc2ccccc21 ZINC000175529479 822991650 /nfs/dbraw/zinc/99/16/50/822991650.db2.gz YUPISTLSOYHEMB-FQEVSTJZSA-N 1 2 377.513 4.444 20 0 GIADLO C[N@@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)[C@H]1CCc2ccccc21 ZINC000175529479 822991653 /nfs/dbraw/zinc/99/16/53/822991653.db2.gz YUPISTLSOYHEMB-FQEVSTJZSA-N 1 2 377.513 4.444 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3c(c2)C(C)(C)CO3)C[C@@H](C)O1 ZINC000570017996 822997469 /nfs/dbraw/zinc/99/74/69/822997469.db2.gz AJFSAXKLOOFOEV-IAGOWNOFSA-N 1 2 394.515 4.218 20 0 GIADLO O=C(CCCc1ncc(-c2ccccc2)o1)NCc1ccccc1-n1cc[nH+]c1 ZINC000055697022 823000294 /nfs/dbraw/zinc/00/02/94/823000294.db2.gz CAYSLNFZCLWJCH-UHFFFAOYSA-N 1 2 386.455 4.166 20 0 GIADLO CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000055701353 823000716 /nfs/dbraw/zinc/00/07/16/823000716.db2.gz WCLMWDBYMRSLJF-IBGZPJMESA-N 1 2 391.515 4.470 20 0 GIADLO COc1ccccc1C(C)(C)[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175638803 823011011 /nfs/dbraw/zinc/01/10/11/823011011.db2.gz GURGJBWVCGAOEH-UHFFFAOYSA-N 1 2 395.528 4.107 20 0 GIADLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(OCc2ccccc2F)nc1 ZINC000187130530 823015251 /nfs/dbraw/zinc/01/52/51/823015251.db2.gz LKWRWYZCGCDIIO-NDEPHWFRSA-N 1 2 398.503 4.169 20 0 GIADLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(OCc2ccccc2F)nc1 ZINC000187130530 823015254 /nfs/dbraw/zinc/01/52/54/823015254.db2.gz LKWRWYZCGCDIIO-NDEPHWFRSA-N 1 2 398.503 4.169 20 0 GIADLO COC[C@@H]1CCC[N@H+](Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C1 ZINC000175671224 823017180 /nfs/dbraw/zinc/01/71/80/823017180.db2.gz PJRPGHAUCZMXLE-OAHLLOKOSA-N 1 2 393.940 4.340 20 0 GIADLO COC[C@@H]1CCC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C1 ZINC000175671224 823017183 /nfs/dbraw/zinc/01/71/83/823017183.db2.gz PJRPGHAUCZMXLE-OAHLLOKOSA-N 1 2 393.940 4.340 20 0 GIADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187145869 823017276 /nfs/dbraw/zinc/01/72/76/823017276.db2.gz ZRYDZFVDXWJRDW-SANMLTNESA-N 1 2 387.936 4.354 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1oc2ccccc2c1C ZINC000187243077 823029418 /nfs/dbraw/zinc/02/94/18/823029418.db2.gz RJAGBKPOONIPFR-UHFFFAOYSA-N 1 2 377.893 4.478 20 0 GIADLO CCOc1cccc2cc([C@@H](C)NC(=O)NCc3ccn4cc[nH+]c4c3)oc21 ZINC000177917080 823546124 /nfs/dbraw/zinc/54/61/24/823546124.db2.gz JAZHPSGZBPBZCY-CQSZACIVSA-N 1 2 378.432 4.040 20 0 GIADLO c1c(CNc2[nH+]c3ccccc3n2C2CCCCC2)nnn1Cc1cccnc1 ZINC000124025968 823561041 /nfs/dbraw/zinc/56/10/41/823561041.db2.gz HVSDCGDTZUJVQS-UHFFFAOYSA-N 1 2 387.491 4.188 20 0 GIADLO O=C(NCCNc1cccc[nH+]1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000060857689 823562722 /nfs/dbraw/zinc/56/27/22/823562722.db2.gz OGXUSLNRPNGTTQ-QBHLMBNYSA-N 1 2 398.510 4.090 20 0 GIADLO CCn1nccc1C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000124050616 823563112 /nfs/dbraw/zinc/56/31/12/823563112.db2.gz HHMTYTGJYSWRHE-UHFFFAOYSA-N 1 2 393.466 4.244 20 0 GIADLO CCn1nccc1C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000124050616 823563117 /nfs/dbraw/zinc/56/31/17/823563117.db2.gz HHMTYTGJYSWRHE-UHFFFAOYSA-N 1 2 393.466 4.244 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)c(C)[nH+]1 ZINC000411301088 823563170 /nfs/dbraw/zinc/56/31/70/823563170.db2.gz CPUZNTAFLGBFOL-SFHVURJKSA-N 1 2 389.446 4.127 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000060868454 823563409 /nfs/dbraw/zinc/56/34/09/823563409.db2.gz HKDANIGTDOCNRM-SFHVURJKSA-N 1 2 396.450 4.017 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2F)C(C)C)c(C)[nH+]1 ZINC000411359052 823566300 /nfs/dbraw/zinc/56/63/00/823566300.db2.gz QRPLTUPELOPSFS-QGZVFWFLSA-N 1 2 391.874 4.251 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1 ZINC000411412628 823571409 /nfs/dbraw/zinc/57/14/09/823571409.db2.gz FRFWVJQKBVOMIW-JOCHJYFZSA-N 1 2 375.472 4.041 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1 ZINC000411412628 823571412 /nfs/dbraw/zinc/57/14/12/823571412.db2.gz FRFWVJQKBVOMIW-JOCHJYFZSA-N 1 2 375.472 4.041 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1cccc(CCC(F)(F)F)c1 ZINC000124161876 823573318 /nfs/dbraw/zinc/57/33/18/823573318.db2.gz RBGWRQGZMAQLMC-UHFFFAOYSA-N 1 2 380.414 4.079 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(Br)cc1 ZINC000190434362 823573355 /nfs/dbraw/zinc/57/33/55/823573355.db2.gz YRAMPVHCTOQVIV-UHFFFAOYSA-N 1 2 379.302 4.152 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)c(C)[nH+]1 ZINC000411432529 823573560 /nfs/dbraw/zinc/57/35/60/823573560.db2.gz WLPOGJWLDHDSSA-UHFFFAOYSA-N 1 2 379.382 4.079 20 0 GIADLO CCC(CC)[C@H](C(=O)Nc1ccc(COC2CCCC2)cc1)[NH+]1CCOCC1 ZINC000461091688 823574939 /nfs/dbraw/zinc/57/49/39/823574939.db2.gz UXPCWXCLDAUVID-JOCHJYFZSA-N 1 2 388.552 4.221 20 0 GIADLO Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000124192420 823576126 /nfs/dbraw/zinc/57/61/26/823576126.db2.gz IIFGIYILBTVQQB-UHFFFAOYSA-N 1 2 396.466 4.464 20 0 GIADLO O=C([C@H]1Cc2ccccc21)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000461097861 823576437 /nfs/dbraw/zinc/57/64/37/823576437.db2.gz HABLVJYMFKUSQO-SFHVURJKSA-N 1 2 397.881 4.434 20 0 GIADLO CC(=O)Oc1ccc(C[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)cc1 ZINC000124203876 823577093 /nfs/dbraw/zinc/57/70/93/823577093.db2.gz KZJSLLYSOFRWQF-UHFFFAOYSA-N 1 2 375.472 4.221 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCSc3ccccc3)c2C1 ZINC000061082890 823577709 /nfs/dbraw/zinc/57/77/09/823577709.db2.gz FHDKJMJBUCWQGK-UHFFFAOYSA-N 1 2 391.540 4.135 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCSc3ccccc3)c2C1 ZINC000061082890 823577713 /nfs/dbraw/zinc/57/77/13/823577713.db2.gz FHDKJMJBUCWQGK-UHFFFAOYSA-N 1 2 391.540 4.135 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc4ccccc4c3)CCCC2)no1 ZINC000124248151 823581021 /nfs/dbraw/zinc/58/10/21/823581021.db2.gz CTYMKJUCSDDEAW-UHFFFAOYSA-N 1 2 392.503 4.264 20 0 GIADLO C[C@H]1CCN(C(=O)CCCCc2nc3ccccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000124256551 823581433 /nfs/dbraw/zinc/58/14/33/823581433.db2.gz HKVPRCLTBFAALC-FUHWJXTLSA-N 1 2 382.533 4.315 20 0 GIADLO CC(C)C[C@H]([NH2+]Cc1nc(N)nc(Nc2ccc(F)cc2)n1)c1cccs1 ZINC000411512988 823582796 /nfs/dbraw/zinc/58/27/96/823582796.db2.gz NUVGRSXVYUPUAX-HNNXBMFYSA-N 1 2 386.500 4.105 20 0 GIADLO Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000190558068 823586203 /nfs/dbraw/zinc/58/62/03/823586203.db2.gz HZCMCQYXAUICEG-DYVFJYSZSA-N 1 2 380.414 4.003 20 0 GIADLO O=c1nc(C[N@H+]2CCC[C@@H]2CCO)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000411564107 823588375 /nfs/dbraw/zinc/58/83/75/823588375.db2.gz FAFSLSDISKXYPT-GFCCVEGCSA-N 1 2 389.908 4.064 20 0 GIADLO O=c1nc(C[N@@H+]2CCC[C@@H]2CCO)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000411564107 823588379 /nfs/dbraw/zinc/58/83/79/823588379.db2.gz FAFSLSDISKXYPT-GFCCVEGCSA-N 1 2 389.908 4.064 20 0 GIADLO C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)CCCC2 ZINC000061424551 823596493 /nfs/dbraw/zinc/59/64/93/823596493.db2.gz XHPNEDQSINSTOL-SFHVURJKSA-N 1 2 388.515 4.371 20 0 GIADLO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)CC2)[nH]1 ZINC000190670685 823596979 /nfs/dbraw/zinc/59/69/79/823596979.db2.gz KQHIWANZALEPLC-JKSUJKDBSA-N 1 2 383.540 4.087 20 0 GIADLO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)CC2)n1 ZINC000190670685 823596982 /nfs/dbraw/zinc/59/69/82/823596982.db2.gz KQHIWANZALEPLC-JKSUJKDBSA-N 1 2 383.540 4.087 20 0 GIADLO CCc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)CC2)n[nH]1 ZINC000190670685 823596985 /nfs/dbraw/zinc/59/69/85/823596985.db2.gz KQHIWANZALEPLC-JKSUJKDBSA-N 1 2 383.540 4.087 20 0 GIADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000411692947 823597603 /nfs/dbraw/zinc/59/76/03/823597603.db2.gz KZKNWWPQERLLJM-GOSISDBHSA-N 1 2 398.450 4.129 20 0 GIADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000411692947 823597606 /nfs/dbraw/zinc/59/76/06/823597606.db2.gz KZKNWWPQERLLJM-GOSISDBHSA-N 1 2 398.450 4.129 20 0 GIADLO CC(C)(C)c1cc(CCC(=O)N2CCn3c[nH+]cc3C2)cc(C(C)(C)C)c1O ZINC000461201872 823597688 /nfs/dbraw/zinc/59/76/88/823597688.db2.gz IRXBSFSKGPVQRL-UHFFFAOYSA-N 1 2 383.536 4.159 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[C@H](C)C[C@H](c3ccccc3)C2)c(C)[nH+]1 ZINC000411822089 823608557 /nfs/dbraw/zinc/60/85/57/823608557.db2.gz RUZOZVAYCDFZGY-VOBQZIQPSA-N 1 2 379.504 4.034 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1C ZINC000411995781 823619449 /nfs/dbraw/zinc/61/94/49/823619449.db2.gz FAALKQCUOWGYNR-UZUQRXQVSA-N 1 2 394.515 4.259 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1C ZINC000411995781 823619451 /nfs/dbraw/zinc/61/94/51/823619451.db2.gz FAALKQCUOWGYNR-UZUQRXQVSA-N 1 2 394.515 4.259 20 0 GIADLO C[N@H+](CC1CCOCC1)Cn1nc(-c2ccco2)n(Cc2ccccc2)c1=S ZINC000124746337 823622931 /nfs/dbraw/zinc/62/29/31/823622931.db2.gz NVDVUNZSKRNPMV-UHFFFAOYSA-N 1 2 398.532 4.038 20 0 GIADLO C[N@@H+](CC1CCOCC1)Cn1nc(-c2ccco2)n(Cc2ccccc2)c1=S ZINC000124746337 823622933 /nfs/dbraw/zinc/62/29/33/823622933.db2.gz NVDVUNZSKRNPMV-UHFFFAOYSA-N 1 2 398.532 4.038 20 0 GIADLO CNC(=O)NC1CC[NH+]([C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000412056497 823624533 /nfs/dbraw/zinc/62/45/33/823624533.db2.gz SXWANFDZFAHZPX-SNVBAGLBSA-N 1 2 397.363 4.179 20 0 GIADLO CCN(C)c1ccc(C[NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)cn1 ZINC000190921398 823624767 /nfs/dbraw/zinc/62/47/67/823624767.db2.gz NHHBWHAJMFFUTA-HSZRJFAPSA-N 1 2 385.515 4.304 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N(Cc1c(F)cccc1F)C1CC1 ZINC000190941377 823627786 /nfs/dbraw/zinc/62/77/86/823627786.db2.gz RLJWBYRSMATHCC-UHFFFAOYSA-N 1 2 396.441 4.084 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000412122868 823627980 /nfs/dbraw/zinc/62/79/80/823627980.db2.gz IPVCLOCAPHKFFW-FQEVSTJZSA-N 1 2 394.515 4.111 20 0 GIADLO O=C(CCCc1cccnc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000062370860 823630223 /nfs/dbraw/zinc/63/02/23/823630223.db2.gz KMGYOXIPDXGKPU-LJQANCHMSA-N 1 2 389.902 4.150 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1C(C)C ZINC000124851925 823630980 /nfs/dbraw/zinc/63/09/80/823630980.db2.gz UXORFFFVZRTGEE-UHFFFAOYSA-N 1 2 388.537 4.344 20 0 GIADLO CCc1nc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cs1 ZINC000190964970 823631610 /nfs/dbraw/zinc/63/16/10/823631610.db2.gz REGYSLWRJJOBQL-GXFFZTMASA-N 1 2 384.332 4.468 20 0 GIADLO CC[N@@H+](Cc1cc(Cl)cc2cccnc21)Cc1nc2ccccc2c(=O)[nH]1 ZINC000124870700 823632654 /nfs/dbraw/zinc/63/26/54/823632654.db2.gz UVDLSOJIWUDTQN-UHFFFAOYSA-N 1 2 378.863 4.147 20 0 GIADLO CC[N@H+](Cc1cc(Cl)cc2cccnc21)Cc1nc2ccccc2c(=O)[nH]1 ZINC000124870700 823632656 /nfs/dbraw/zinc/63/26/56/823632656.db2.gz UVDLSOJIWUDTQN-UHFFFAOYSA-N 1 2 378.863 4.147 20 0 GIADLO CC1(C)C[N@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC2(CCCC2)O1 ZINC000190974345 823633003 /nfs/dbraw/zinc/63/30/03/823633003.db2.gz BJWXHGCCGKPOCY-UHFFFAOYSA-N 1 2 399.560 4.248 20 0 GIADLO CC1(C)C[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC2(CCCC2)O1 ZINC000190974345 823633004 /nfs/dbraw/zinc/63/30/04/823633004.db2.gz BJWXHGCCGKPOCY-UHFFFAOYSA-N 1 2 399.560 4.248 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)N(CCC(F)(F)F)Cc1ccccc1 ZINC000191102550 823649400 /nfs/dbraw/zinc/64/94/00/823649400.db2.gz CDHKJUYTJBYCCT-UHFFFAOYSA-N 1 2 380.414 4.048 20 0 GIADLO COCC[N@H+](Cc1cccnc1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000191125245 823651782 /nfs/dbraw/zinc/65/17/82/823651782.db2.gz XHDPFUUNVUNAII-UHFFFAOYSA-N 1 2 397.906 4.358 20 0 GIADLO COCC[N@@H+](Cc1cccnc1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000191125245 823651784 /nfs/dbraw/zinc/65/17/84/823651784.db2.gz XHDPFUUNVUNAII-UHFFFAOYSA-N 1 2 397.906 4.358 20 0 GIADLO Cc1nc2sc3c(c2c(NCc2ccc(-n4cc[nH+]c4)c(F)c2)n1)CCC3 ZINC000063254598 823657269 /nfs/dbraw/zinc/65/72/69/823657269.db2.gz IAXXXLSBNIKUIE-UHFFFAOYSA-N 1 2 379.464 4.425 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Oc2cccnc2)cc1 ZINC000063267136 823658490 /nfs/dbraw/zinc/65/84/90/823658490.db2.gz HXSYRZWSDRZIRK-UHFFFAOYSA-N 1 2 384.439 4.049 20 0 GIADLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000063280949 823659496 /nfs/dbraw/zinc/65/94/96/823659496.db2.gz SISSJFPOAPHVNQ-UHFFFAOYSA-N 1 2 380.429 4.389 20 0 GIADLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000063280949 823659499 /nfs/dbraw/zinc/65/94/99/823659499.db2.gz SISSJFPOAPHVNQ-UHFFFAOYSA-N 1 2 380.429 4.389 20 0 GIADLO CCn1c(=S)n(C[N@H+](C)CCCc2ccc(OC)cc2)nc1-c1ccco1 ZINC000125281245 823664512 /nfs/dbraw/zinc/66/45/12/823664512.db2.gz KKAHMPUNNSLQND-UHFFFAOYSA-N 1 2 386.521 4.225 20 0 GIADLO CCn1c(=S)n(C[N@@H+](C)CCCc2ccc(OC)cc2)nc1-c1ccco1 ZINC000125281245 823664513 /nfs/dbraw/zinc/66/45/13/823664513.db2.gz KKAHMPUNNSLQND-UHFFFAOYSA-N 1 2 386.521 4.225 20 0 GIADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191299659 823668969 /nfs/dbraw/zinc/66/89/69/823668969.db2.gz ZLLDWHNACILNHM-SNVBAGLBSA-N 1 2 392.397 4.108 20 0 GIADLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191299659 823668974 /nfs/dbraw/zinc/66/89/74/823668974.db2.gz ZLLDWHNACILNHM-SNVBAGLBSA-N 1 2 392.397 4.108 20 0 GIADLO Brc1cccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccncc3)n2)c1 ZINC000125359730 823670540 /nfs/dbraw/zinc/67/05/40/823670540.db2.gz AWGSREXTYHCQDB-INIZCTEOSA-N 1 2 385.265 4.231 20 0 GIADLO Brc1cccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccncc3)n2)c1 ZINC000125359730 823670541 /nfs/dbraw/zinc/67/05/41/823670541.db2.gz AWGSREXTYHCQDB-INIZCTEOSA-N 1 2 385.265 4.231 20 0 GIADLO Cc1cc(C(N)=[NH+]OCc2ccc(C(=O)Nc3ccccc3)cc2)ccc1F ZINC000063457710 823672550 /nfs/dbraw/zinc/67/25/50/823672550.db2.gz PEZIBBCCCUMVTL-UHFFFAOYSA-N 1 2 377.419 4.224 20 0 GIADLO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)cc1OC ZINC000125391715 823672808 /nfs/dbraw/zinc/67/28/08/823672808.db2.gz KLEFQYLMHMFBFZ-KRWDZBQOSA-N 1 2 383.423 4.230 20 0 GIADLO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)cc1OC ZINC000125391715 823672810 /nfs/dbraw/zinc/67/28/10/823672810.db2.gz KLEFQYLMHMFBFZ-KRWDZBQOSA-N 1 2 383.423 4.230 20 0 GIADLO CC(C)c1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2cnn(C(C)C)c2n1 ZINC000125419337 823674695 /nfs/dbraw/zinc/67/46/95/823674695.db2.gz HNZIMSSEQYSIPZ-OXJNMPFZSA-N 1 2 394.523 4.055 20 0 GIADLO O=C(C[N@H+](CCc1ccccc1)Cc1cccnc1)Nc1cc(F)ccc1F ZINC000191349464 823675025 /nfs/dbraw/zinc/67/50/25/823675025.db2.gz QNTJLPLKPSOKEZ-UHFFFAOYSA-N 1 2 381.426 4.043 20 0 GIADLO O=C(C[N@@H+](CCc1ccccc1)Cc1cccnc1)Nc1cc(F)ccc1F ZINC000191349464 823675029 /nfs/dbraw/zinc/67/50/29/823675029.db2.gz QNTJLPLKPSOKEZ-UHFFFAOYSA-N 1 2 381.426 4.043 20 0 GIADLO CC(C)[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)Cc1ccccn1 ZINC000063524202 823677580 /nfs/dbraw/zinc/67/75/80/823677580.db2.gz VFGBBZVTVZJRBY-UHFFFAOYSA-N 1 2 396.716 4.347 20 0 GIADLO CC(C)[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)Cc1ccccn1 ZINC000063524202 823677582 /nfs/dbraw/zinc/67/75/82/823677582.db2.gz VFGBBZVTVZJRBY-UHFFFAOYSA-N 1 2 396.716 4.347 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cnc(Cc2ccccc2)s1 ZINC000125461070 823678058 /nfs/dbraw/zinc/67/80/58/823678058.db2.gz BXAXWQQXLPWVLE-UHFFFAOYSA-N 1 2 398.557 4.429 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CNc3ccccc3Cl)n2)C1 ZINC000063656587 823687182 /nfs/dbraw/zinc/68/71/82/823687182.db2.gz IYXFMEKFXGKROL-ZDUSSCGKSA-N 1 2 378.929 4.079 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CNc3ccccc3Cl)n2)C1 ZINC000063656587 823687185 /nfs/dbraw/zinc/68/71/85/823687185.db2.gz IYXFMEKFXGKROL-ZDUSSCGKSA-N 1 2 378.929 4.079 20 0 GIADLO CC(C)[N@H+](Cc1nc(-c2cccc(Br)c2)no1)Cc1cccnc1 ZINC000125629015 823691266 /nfs/dbraw/zinc/69/12/66/823691266.db2.gz JXNNEHWKOMNKCL-UHFFFAOYSA-N 1 2 387.281 4.305 20 0 GIADLO CC(C)[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)Cc1cccnc1 ZINC000125629015 823691268 /nfs/dbraw/zinc/69/12/68/823691268.db2.gz JXNNEHWKOMNKCL-UHFFFAOYSA-N 1 2 387.281 4.305 20 0 GIADLO O=C(CSc1ccc(F)c(F)c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000125636629 823692250 /nfs/dbraw/zinc/69/22/50/823692250.db2.gz PISWWJXUJUKORH-UHFFFAOYSA-N 1 2 383.489 4.138 20 0 GIADLO CCCC[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1F ZINC000063755319 823693782 /nfs/dbraw/zinc/69/37/82/823693782.db2.gz KNTLTKQQPUKXQP-UHFFFAOYSA-N 1 2 386.467 4.228 20 0 GIADLO CCCC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1F ZINC000063755319 823693783 /nfs/dbraw/zinc/69/37/83/823693783.db2.gz KNTLTKQQPUKXQP-UHFFFAOYSA-N 1 2 386.467 4.228 20 0 GIADLO CC(C)OC1CC(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)C1 ZINC000412978713 823696386 /nfs/dbraw/zinc/69/63/86/823696386.db2.gz BNHIQFGHJZQBSQ-IGEOTXOUSA-N 1 2 378.517 4.077 20 0 GIADLO C[C@@H](c1nnc(S[C@H]2CCOC(C)(C)C2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000412983382 823697235 /nfs/dbraw/zinc/69/72/35/823697235.db2.gz NHPFULMCOXNWHX-BBRMVZONSA-N 1 2 378.517 4.079 20 0 GIADLO Cc1ccsc1[C@H]1C[C@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000125695391 823697511 /nfs/dbraw/zinc/69/75/11/823697511.db2.gz UUSSIBPSWZNVTM-VQTJNVASSA-N 1 2 383.561 4.011 20 0 GIADLO O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000191539360 823697555 /nfs/dbraw/zinc/69/75/55/823697555.db2.gz RYXSCDABSXEHST-LBPRGKRZSA-N 1 2 387.270 4.453 20 0 GIADLO CCCCc1nc(C[NH+]2CCC(c3nc(C(=O)OCC)cs3)CC2)cs1 ZINC000191567883 823701371 /nfs/dbraw/zinc/70/13/71/823701371.db2.gz NYFWKHYOKWKTSK-UHFFFAOYSA-N 1 2 393.578 4.499 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3cccc(Oc4ccccc4)c3)[nH+]cn2)C1 ZINC000413056686 823702025 /nfs/dbraw/zinc/70/20/25/823702025.db2.gz VMGDKQZEVAVUQK-IEBWSBKVSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3cccc(Oc4ccccc4)c3)nc[nH+]2)C1 ZINC000413056686 823702026 /nfs/dbraw/zinc/70/20/26/823702026.db2.gz VMGDKQZEVAVUQK-IEBWSBKVSA-N 1 2 390.487 4.088 20 0 GIADLO CCc1c(NC(=O)NCc2ccn3cc[nH+]c3c2)cnn1-c1ccccc1Cl ZINC000191593015 823706120 /nfs/dbraw/zinc/70/61/20/823706120.db2.gz FMDKNOJLDGNSKT-UHFFFAOYSA-N 1 2 394.866 4.058 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(Oc4ccccc4)cc3)[nH+]cn2)C1 ZINC000413098463 823706669 /nfs/dbraw/zinc/70/66/69/823706669.db2.gz AOWNNYDRNGBGEC-PKOBYXMFSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(Oc4ccccc4)cc3)nc[nH+]2)C1 ZINC000413098463 823706672 /nfs/dbraw/zinc/70/66/72/823706672.db2.gz AOWNNYDRNGBGEC-PKOBYXMFSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)c1nc(Cc2ccccc2)no1 ZINC000191595588 823706732 /nfs/dbraw/zinc/70/67/32/823706732.db2.gz QIVOLDNCGNXAQS-MRXNPFEDSA-N 1 2 387.443 4.094 20 0 GIADLO C[N@H+](Cc1csc(-c2ccoc2)n1)[C@H](CO)c1cccc(Br)c1 ZINC000125787486 823710717 /nfs/dbraw/zinc/71/07/17/823710717.db2.gz CVQRFPULDOFVIP-MRXNPFEDSA-N 1 2 393.306 4.331 20 0 GIADLO C[N@@H+](Cc1csc(-c2ccoc2)n1)[C@H](CO)c1cccc(Br)c1 ZINC000125787486 823710719 /nfs/dbraw/zinc/71/07/19/823710719.db2.gz CVQRFPULDOFVIP-MRXNPFEDSA-N 1 2 393.306 4.331 20 0 GIADLO C[C@@H]1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C[C@H]1n1cc[nH+]c1 ZINC000125795409 823712571 /nfs/dbraw/zinc/71/25/71/823712571.db2.gz VFBZEFPNQUUBCO-DGCLKSJQSA-N 1 2 392.937 4.445 20 0 GIADLO CCc1c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cnn1-c1cccc(Cl)c1 ZINC000191618354 823714933 /nfs/dbraw/zinc/71/49/33/823714933.db2.gz LZYZBFGPDDGYCI-UHFFFAOYSA-N 1 2 398.898 4.154 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3cccc(Cl)c3Cl)[nH+]cn2)C1 ZINC000413155856 823717255 /nfs/dbraw/zinc/71/72/55/823717255.db2.gz NCYDFDPSOVWJNM-YNEHKIRRSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3cccc(Cl)c3Cl)nc[nH+]2)C1 ZINC000413155856 823717257 /nfs/dbraw/zinc/71/72/57/823717257.db2.gz NCYDFDPSOVWJNM-YNEHKIRRSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2cccc(C3CC3)c2)C[C@H](C)O1 ZINC000413179689 823722568 /nfs/dbraw/zinc/72/25/68/823722568.db2.gz OLFPJPCOWMXTFR-HDICACEKSA-N 1 2 378.516 4.354 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2cccc(C3CC3)c2)C[C@H](C)O1 ZINC000413179689 823722574 /nfs/dbraw/zinc/72/25/74/823722574.db2.gz OLFPJPCOWMXTFR-HDICACEKSA-N 1 2 378.516 4.354 20 0 GIADLO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cs1 ZINC000191645760 823722962 /nfs/dbraw/zinc/72/29/62/823722962.db2.gz HCYAVJUUINOURJ-SUMWQHHRSA-N 1 2 393.503 4.387 20 0 GIADLO COC(=O)[C@H](N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)c1ccsc1 ZINC000574416411 823723797 /nfs/dbraw/zinc/72/37/97/823723797.db2.gz OTYHKBNBZNONAN-IPMKNSEASA-N 1 2 394.487 4.054 20 0 GIADLO COC(=O)[C@H](N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)c1ccsc1 ZINC000574416411 823723800 /nfs/dbraw/zinc/72/38/00/823723800.db2.gz OTYHKBNBZNONAN-IPMKNSEASA-N 1 2 394.487 4.054 20 0 GIADLO COc1ccc(Nc2nn(C[N@@H+]3CCS[C@H](C)CC3)c(=S)s2)cc1 ZINC000191667482 823728099 /nfs/dbraw/zinc/72/80/99/823728099.db2.gz PTGRHBXYRSTKED-GFCCVEGCSA-N 1 2 382.580 4.211 20 0 GIADLO COc1ccc(Nc2nn(C[N@H+]3CCS[C@H](C)CC3)c(=S)s2)cc1 ZINC000191667482 823728110 /nfs/dbraw/zinc/72/81/10/823728110.db2.gz PTGRHBXYRSTKED-GFCCVEGCSA-N 1 2 382.580 4.211 20 0 GIADLO CCCCc1ccc(C(=O)CCc2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000574439324 823730030 /nfs/dbraw/zinc/73/00/30/823730030.db2.gz IMSQBZASDBKVBZ-OFNKIYASSA-N 1 2 397.519 4.154 20 0 GIADLO CCCCc1ccc(C(=O)CCc2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000574439324 823730036 /nfs/dbraw/zinc/73/00/36/823730036.db2.gz IMSQBZASDBKVBZ-OFNKIYASSA-N 1 2 397.519 4.154 20 0 GIADLO C[C@H]1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)C[C@H]1n1cc[nH+]c1 ZINC000125871300 823733389 /nfs/dbraw/zinc/73/33/89/823733389.db2.gz JSFHQWRPGHVQOI-SUMWQHHRSA-N 1 2 386.908 4.383 20 0 GIADLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125912373 823742517 /nfs/dbraw/zinc/74/25/17/823742517.db2.gz BDCNIRRIOMJPSY-PNCHPQGNSA-N 1 2 390.531 4.042 20 0 GIADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000125928152 823746499 /nfs/dbraw/zinc/74/64/99/823746499.db2.gz RHDYZINIUAIGOA-CYBMUJFWSA-N 1 2 387.423 4.182 20 0 GIADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000125928152 823746504 /nfs/dbraw/zinc/74/65/04/823746504.db2.gz RHDYZINIUAIGOA-CYBMUJFWSA-N 1 2 387.423 4.182 20 0 GIADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000125938209 823749359 /nfs/dbraw/zinc/74/93/59/823749359.db2.gz UXVAFTIGBZBSQO-GFCCVEGCSA-N 1 2 389.414 4.441 20 0 GIADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000125938209 823749365 /nfs/dbraw/zinc/74/93/65/823749365.db2.gz UXVAFTIGBZBSQO-GFCCVEGCSA-N 1 2 389.414 4.441 20 0 GIADLO Cc1ccccc1NC(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125943800 823750238 /nfs/dbraw/zinc/75/02/38/823750238.db2.gz OZWBFOBDWFZWSV-QHCPKHFHSA-N 1 2 384.483 4.199 20 0 GIADLO Cc1nn(C)c(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)c1Br ZINC000574515212 823753288 /nfs/dbraw/zinc/75/32/88/823753288.db2.gz VGHQEUAYCJPUMF-CYBMUJFWSA-N 1 2 382.277 4.022 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000574583292 823772161 /nfs/dbraw/zinc/77/21/61/823772161.db2.gz TUYVGXOIQPUGJH-PIGZYNQJSA-N 1 2 394.288 4.148 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000574583292 823772167 /nfs/dbraw/zinc/77/21/67/823772167.db2.gz TUYVGXOIQPUGJH-PIGZYNQJSA-N 1 2 394.288 4.148 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000574599856 823776532 /nfs/dbraw/zinc/77/65/32/823776532.db2.gz BJPRYUIUACGDAQ-IOMROCGXSA-N 1 2 399.560 4.057 20 0 GIADLO C[C@@H]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000126065745 823778844 /nfs/dbraw/zinc/77/88/44/823778844.db2.gz KIPVXGLOQOEORM-CXAGYDPISA-N 1 2 386.908 4.383 20 0 GIADLO CCCOc1ccc(CN(Cc2ccccc2)C(=O)NCc2c[nH+]cn2C)cc1 ZINC000461989448 823785333 /nfs/dbraw/zinc/78/53/33/823785333.db2.gz PGCGFXREQNXOSO-UHFFFAOYSA-N 1 2 392.503 4.121 20 0 GIADLO CSCC[C@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1nnc2ccccn21 ZINC000164251486 823789938 /nfs/dbraw/zinc/78/99/38/823789938.db2.gz XCIUAQNGVIMCCQ-NHYWBVRUSA-N 1 2 380.439 4.292 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)NC1(Cc2cccc(F)c2)CCC1 ZINC000462002675 823791315 /nfs/dbraw/zinc/79/13/15/823791315.db2.gz ILAHLICBLHRTAH-UHFFFAOYSA-N 1 2 392.478 4.035 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000191842462 823794020 /nfs/dbraw/zinc/79/40/20/823794020.db2.gz IDMNDJHOTCWPSX-UHFFFAOYSA-N 1 2 398.429 4.331 20 0 GIADLO CCOc1ncccc1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000462027400 823801350 /nfs/dbraw/zinc/80/13/50/823801350.db2.gz MNGKQVUHYHDTSP-UHFFFAOYSA-N 1 2 375.472 4.121 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000574706915 823804488 /nfs/dbraw/zinc/80/44/88/823804488.db2.gz UECHMETXXDBZKU-UHFFFAOYSA-N 1 2 383.418 4.112 20 0 GIADLO COc1cc2c(cc1NC(=O)C[N@H+](C)C[C@@H]1CCCCO1)oc1ccccc12 ZINC000126179312 823806482 /nfs/dbraw/zinc/80/64/82/823806482.db2.gz NACLCOYLUIYXEP-HNNXBMFYSA-N 1 2 382.460 4.034 20 0 GIADLO COc1cc2c(cc1NC(=O)C[N@@H+](C)C[C@@H]1CCCCO1)oc1ccccc12 ZINC000126179312 823806495 /nfs/dbraw/zinc/80/64/95/823806495.db2.gz NACLCOYLUIYXEP-HNNXBMFYSA-N 1 2 382.460 4.034 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000191900333 823807273 /nfs/dbraw/zinc/80/72/73/823807273.db2.gz WKFHNTSAXBVGQS-UHFFFAOYSA-N 1 2 377.920 4.109 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000126187931 823808384 /nfs/dbraw/zinc/80/83/84/823808384.db2.gz KZPGCEQKERNGPZ-UHFFFAOYSA-N 1 2 393.512 4.203 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000191907887 823809265 /nfs/dbraw/zinc/80/92/65/823809265.db2.gz AMQCBZWEZOBWHD-UHFFFAOYSA-N 1 2 382.430 4.494 20 0 GIADLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2ccccc2)ns1 ZINC000462045462 823810121 /nfs/dbraw/zinc/81/01/21/823810121.db2.gz CJNXROKQUVTWEW-SFHVURJKSA-N 1 2 381.501 4.360 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000191918684 823811660 /nfs/dbraw/zinc/81/16/60/823811660.db2.gz BQVNMFQHLVTNLD-UHFFFAOYSA-N 1 2 398.486 4.023 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000191932723 823814677 /nfs/dbraw/zinc/81/46/77/823814677.db2.gz ZSRDGRBGKFBDBC-UHFFFAOYSA-N 1 2 382.480 4.390 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000126267046 823824968 /nfs/dbraw/zinc/82/49/68/823824968.db2.gz TXSSAJTWXSKDJX-STZQEDGTSA-N 1 2 375.472 4.113 20 0 GIADLO OC[C@@H]([NH2+]Cc1csc(Cc2ccc(Cl)cc2)n1)c1ccc(F)cc1 ZINC000574784777 823825329 /nfs/dbraw/zinc/82/53/29/823825329.db2.gz IYAAQDZQFSCMBY-GOSISDBHSA-N 1 2 376.884 4.350 20 0 GIADLO CCCCn1c(SCC2CCC3(CC2)OCCO3)nnc1[C@H](CC)[NH+](C)C ZINC000191977228 823829677 /nfs/dbraw/zinc/82/96/77/823829677.db2.gz MXQOBKSWCMBFNI-KRWDZBQOSA-N 1 2 396.601 4.116 20 0 GIADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000165034301 823830971 /nfs/dbraw/zinc/83/09/71/823830971.db2.gz HDPDREDSJANNDX-KRWDZBQOSA-N 1 2 395.425 4.193 20 0 GIADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000165034301 823830978 /nfs/dbraw/zinc/83/09/78/823830978.db2.gz HDPDREDSJANNDX-KRWDZBQOSA-N 1 2 395.425 4.193 20 0 GIADLO O=C(C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 ZINC000165113502 823834612 /nfs/dbraw/zinc/83/46/12/823834612.db2.gz HJWJVILCSBOJCG-OAQYLSRUSA-N 1 2 393.874 4.248 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000192049855 823844556 /nfs/dbraw/zinc/84/45/56/823844556.db2.gz DVBPMHNSMOMXOR-NQIIRXRSSA-N 1 2 383.879 4.242 20 0 GIADLO Cc1ccc(C)c(OC2CC[NH+](CC(=O)Nc3ccnn3C3CCCC3)CC2)c1 ZINC000064631793 823855070 /nfs/dbraw/zinc/85/50/70/823855070.db2.gz DNZSBAQGGPFSRJ-UHFFFAOYSA-N 1 2 396.535 4.097 20 0 GIADLO Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000165605672 823855243 /nfs/dbraw/zinc/85/52/43/823855243.db2.gz BCMKVUUGUFEVLP-UHFFFAOYSA-N 1 2 377.835 4.477 20 0 GIADLO CC(C)CO[C@H](C)c1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192085481 823855381 /nfs/dbraw/zinc/85/53/81/823855381.db2.gz OWSNGAJCWBPRSF-PZPSRYQVSA-N 1 2 397.878 4.216 20 0 GIADLO O=C(N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000574917514 823860241 /nfs/dbraw/zinc/86/02/41/823860241.db2.gz FLMMBGBNCMIJEP-PMACEKPBSA-N 1 2 399.498 4.264 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C[C@@H](C)O)C(C)C)cs1)c1c(C)cc(C)cc1C ZINC000165732429 823861255 /nfs/dbraw/zinc/86/12/55/823861255.db2.gz QPCIVBPLUGSFEV-QGZVFWFLSA-N 1 2 389.565 4.344 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C[C@@H](C)O)C(C)C)cs1)c1c(C)cc(C)cc1C ZINC000165732429 823861259 /nfs/dbraw/zinc/86/12/59/823861259.db2.gz QPCIVBPLUGSFEV-QGZVFWFLSA-N 1 2 389.565 4.344 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000126424986 823863493 /nfs/dbraw/zinc/86/34/93/823863493.db2.gz PIGIQPAVZCTYOR-RTBURBONSA-N 1 2 383.561 4.320 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000126440212 823867895 /nfs/dbraw/zinc/86/78/95/823867895.db2.gz CJRNRHXGFJDSNS-IERDGZPVSA-N 1 2 386.455 4.415 20 0 GIADLO Clc1ccc([C@H](c2ccccc2)[NH+]2CCN(Cc3ncccn3)CC2)cc1 ZINC000192125987 823868774 /nfs/dbraw/zinc/86/87/74/823868774.db2.gz XDUNADVDXRTKRK-QFIPXVFZSA-N 1 2 378.907 4.037 20 0 GIADLO Cc1ccc(CC[C@@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)o1 ZINC000462202955 823869015 /nfs/dbraw/zinc/86/90/15/823869015.db2.gz JGWGHEDUGLJJFF-NVXWUHKLSA-N 1 2 375.538 4.059 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000462203305 823869045 /nfs/dbraw/zinc/86/90/45/823869045.db2.gz YQPGPDPVKAYCDI-UONOGXRCSA-N 1 2 379.476 4.176 20 0 GIADLO COc1ccc(F)c(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000126459088 823873098 /nfs/dbraw/zinc/87/30/98/823873098.db2.gz HDPRKFGYNXAHLD-UXHICEINSA-N 1 2 380.423 4.081 20 0 GIADLO COc1ccc(F)c(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000126458720 823873264 /nfs/dbraw/zinc/87/32/64/823873264.db2.gz HDPRKFGYNXAHLD-VQTJNVASSA-N 1 2 380.423 4.081 20 0 GIADLO COC[C@H]1CCC[N@@H+]1Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 ZINC000166279859 823874074 /nfs/dbraw/zinc/87/40/74/823874074.db2.gz VIPWPIDKKLLSQI-LJQANCHMSA-N 1 2 387.549 4.364 20 0 GIADLO COC[C@H]1CCC[N@H+]1Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 ZINC000166279859 823874080 /nfs/dbraw/zinc/87/40/80/823874080.db2.gz VIPWPIDKKLLSQI-LJQANCHMSA-N 1 2 387.549 4.364 20 0 GIADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000574986344 823879572 /nfs/dbraw/zinc/87/95/72/823879572.db2.gz DPJSPIZOPZAYCM-IJEWVQPXSA-N 1 2 394.544 4.467 20 0 GIADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000574986344 823879577 /nfs/dbraw/zinc/87/95/77/823879577.db2.gz DPJSPIZOPZAYCM-IJEWVQPXSA-N 1 2 394.544 4.467 20 0 GIADLO COc1ccc2c(c1)CN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H](C1CCCCC1)C2 ZINC000574992565 823881581 /nfs/dbraw/zinc/88/15/81/823881581.db2.gz PEYZPWOQEFQQOO-VGOFRKELSA-N 1 2 381.520 4.377 20 0 GIADLO CCc1ccc(-c2nc(CC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cs2)cc1 ZINC000126507507 823886675 /nfs/dbraw/zinc/88/66/75/823886675.db2.gz GYNCTLVGFDLQEP-UZLBHIALSA-N 1 2 394.544 4.221 20 0 GIADLO CC(C)C[C@H](NC(=O)C[NH+]1CCC(c2noc(C3CC3)n2)CC1)c1ccccc1 ZINC000462236079 823888487 /nfs/dbraw/zinc/88/84/87/823888487.db2.gz WHCCEWUFNMXFBA-FQEVSTJZSA-N 1 2 396.535 4.030 20 0 GIADLO COCCSc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414065607 823899032 /nfs/dbraw/zinc/89/90/32/823899032.db2.gz GCIVOUFWAFVYNR-CHWSQXEVSA-N 1 2 380.535 4.080 20 0 GIADLO O=C(NCC1(C(F)(F)F)CC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000575054388 823900740 /nfs/dbraw/zinc/90/07/40/823900740.db2.gz WTLVKPIACSJBDA-UHFFFAOYSA-N 1 2 378.398 4.350 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=S)NCCSc2ccc(Cl)cc2)c1C ZINC000064855605 823902454 /nfs/dbraw/zinc/90/24/54/823902454.db2.gz WEVVFHXANUYQGA-UHFFFAOYSA-N 1 2 395.981 4.117 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(C)C)c(OC)c2)s1 ZINC000414085107 823905303 /nfs/dbraw/zinc/90/53/03/823905303.db2.gz YLGYDGOJNXSKAR-UONOGXRCSA-N 1 2 392.521 4.385 20 0 GIADLO COc1c(Cl)cccc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462264695 823905530 /nfs/dbraw/zinc/90/55/30/823905530.db2.gz BFZLCRMHTNJLOA-ZDUSSCGKSA-N 1 2 379.913 4.321 20 0 GIADLO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2csc(-c3ccccc3)n2)C1=O ZINC000414087731 823906502 /nfs/dbraw/zinc/90/65/02/823906502.db2.gz IPEAJYXURKXCTM-RDJZCZTQSA-N 1 2 393.512 4.275 20 0 GIADLO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2csc(-c3ccccc3)n2)C1=O ZINC000414087729 823906525 /nfs/dbraw/zinc/90/65/25/823906525.db2.gz IPEAJYXURKXCTM-DOTOQJQBSA-N 1 2 393.512 4.275 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]C2(c3cccc(Br)c3)CC2)s1 ZINC000414102667 823910293 /nfs/dbraw/zinc/91/02/93/823910293.db2.gz VVVPOZPWYIAYTD-SNVBAGLBSA-N 1 2 381.295 4.032 20 0 GIADLO Cc1ccccc1-n1nccc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462280343 823911085 /nfs/dbraw/zinc/91/10/85/823911085.db2.gz WGODPUWBIMXBGK-QGZVFWFLSA-N 1 2 395.532 4.153 20 0 GIADLO Cc1cc(C)cc(-n2ccn(C[NH+]3CCC(N4CCCCC4=O)CC3)c2=S)c1 ZINC000126620935 823913305 /nfs/dbraw/zinc/91/33/05/823913305.db2.gz DLNUYODYXOFPBI-UHFFFAOYSA-N 1 2 398.576 4.060 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cncc(-c2cccc(C)c2)c1 ZINC000192247933 823915982 /nfs/dbraw/zinc/91/59/82/823915982.db2.gz RKHIABBLMHHZPX-UHFFFAOYSA-N 1 2 376.504 4.368 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000192249513 823916425 /nfs/dbraw/zinc/91/64/25/823916425.db2.gz FCXXMIREUUOBNX-UHFFFAOYSA-N 1 2 389.499 4.229 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000192249048 823916601 /nfs/dbraw/zinc/91/66/01/823916601.db2.gz CLFYFSDZMYJWID-UHFFFAOYSA-N 1 2 386.883 4.306 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1sc(-c2cccs2)nc1C ZINC000192253671 823917614 /nfs/dbraw/zinc/91/76/14/823917614.db2.gz ASVLBBAYPLCADX-UHFFFAOYSA-N 1 2 388.562 4.491 20 0 GIADLO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1csc(-c2ccccc2)n1 ZINC000414143745 823918024 /nfs/dbraw/zinc/91/80/24/823918024.db2.gz SQNXDUZGDRLANQ-HNNXBMFYSA-N 1 2 398.507 4.032 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000462305688 823918610 /nfs/dbraw/zinc/91/86/10/823918610.db2.gz LSHFAGXJBUKYNN-APWZRJJASA-N 1 2 385.533 4.050 20 0 GIADLO C[C@H]([NH2+]Cc1cc(Br)ccc1Br)c1cc2n(n1)CCC2 ZINC000414149746 823919064 /nfs/dbraw/zinc/91/90/64/823919064.db2.gz XSEMWZXYYWWARO-JTQLQIEISA-N 1 2 399.130 4.205 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)c(Br)cc1C ZINC000192259593 823920698 /nfs/dbraw/zinc/92/06/98/823920698.db2.gz LCOAIQRNRSGKSL-UHFFFAOYSA-N 1 2 392.341 4.377 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CSc2cc(Cl)ccc2Cl)c1C ZINC000064998312 823923251 /nfs/dbraw/zinc/92/32/51/823923251.db2.gz VBNHILUQILWXAD-UHFFFAOYSA-N 1 2 385.316 4.422 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2SC)ccc1SC ZINC000170644071 823925093 /nfs/dbraw/zinc/92/50/93/823925093.db2.gz IAQHTOMUZGEZGZ-UHFFFAOYSA-N 1 2 376.547 4.210 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)ccc1SC ZINC000170644071 823925098 /nfs/dbraw/zinc/92/50/98/823925098.db2.gz IAQHTOMUZGEZGZ-UHFFFAOYSA-N 1 2 376.547 4.210 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cnc(CC)s1 ZINC000065050134 823930745 /nfs/dbraw/zinc/93/07/45/823930745.db2.gz WBRRCNDFESCPPX-UHFFFAOYSA-N 1 2 398.532 4.033 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2c(F)cc(F)cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000192286195 823933751 /nfs/dbraw/zinc/93/37/51/823933751.db2.gz YAXNBWQPFHAAAK-IINYFYTJSA-N 1 2 399.239 4.039 20 0 GIADLO C[C@@H](CC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)n1cc[nH+]c1 ZINC000575186050 823933869 /nfs/dbraw/zinc/93/38/69/823933869.db2.gz SEGQKVLZROQFGR-SCLBCKFNSA-N 1 2 376.298 4.254 20 0 GIADLO FC(F)(F)c1ccnc(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)n1 ZINC000414235897 823935554 /nfs/dbraw/zinc/93/55/54/823935554.db2.gz HQAAYUGXKFRTPB-CYBMUJFWSA-N 1 2 386.215 4.425 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C ZINC000192308747 823942138 /nfs/dbraw/zinc/94/21/38/823942138.db2.gz HWXMDXLQHFPUPQ-UHFFFAOYSA-N 1 2 383.279 4.260 20 0 GIADLO CO[C@@](C)(C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccccc1F ZINC000192330127 823947807 /nfs/dbraw/zinc/94/78/07/823947807.db2.gz WUTAHTIJSDJLFU-JLTOFOAXSA-N 1 2 391.512 4.014 20 0 GIADLO CO[C@@](C)(C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccccc1F ZINC000192330127 823947816 /nfs/dbraw/zinc/94/78/16/823947816.db2.gz WUTAHTIJSDJLFU-JLTOFOAXSA-N 1 2 391.512 4.014 20 0 GIADLO CO[C@](C)(C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccccc1F ZINC000192330499 823948066 /nfs/dbraw/zinc/94/80/66/823948066.db2.gz UBGHSXNDBCITCO-FQEVSTJZSA-N 1 2 391.512 4.014 20 0 GIADLO COc1cc(Br)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000170718882 823953205 /nfs/dbraw/zinc/95/32/05/823953205.db2.gz UXRPDOXALAYLAR-LLVKDONJSA-N 1 2 382.220 4.241 20 0 GIADLO COc1cc(Br)c(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000170718882 823953215 /nfs/dbraw/zinc/95/32/15/823953215.db2.gz UXRPDOXALAYLAR-LLVKDONJSA-N 1 2 382.220 4.241 20 0 GIADLO O=c1oc2cc(Cl)ccc2n1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000065188339 823957874 /nfs/dbraw/zinc/95/78/74/823957874.db2.gz PEKNBXUSWLPXBS-KRWDZBQOSA-N 1 2 390.842 4.026 20 0 GIADLO O=c1oc2cc(Cl)ccc2n1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000065188339 823957881 /nfs/dbraw/zinc/95/78/81/823957881.db2.gz PEKNBXUSWLPXBS-KRWDZBQOSA-N 1 2 390.842 4.026 20 0 GIADLO COc1cccc([C@H](C)[NH2+]Cc2nc(-c3cc(Br)cs3)no2)c1 ZINC000575345834 823959152 /nfs/dbraw/zinc/95/91/52/823959152.db2.gz BUTICBQIHUCHQK-JTQLQIEISA-N 1 2 394.294 4.420 20 0 GIADLO O=C(COc1ccccc1OCC(F)(F)F)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000170782168 823970666 /nfs/dbraw/zinc/97/06/66/823970666.db2.gz WLFXRCJADPUYGY-UHFFFAOYSA-N 1 2 391.349 4.035 20 0 GIADLO O=C(CCC(=O)c1csc2ccccc12)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000575457215 823972601 /nfs/dbraw/zinc/97/26/01/823972601.db2.gz KSPRTFCKYSUIKI-UHFFFAOYSA-N 1 2 390.468 4.143 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000575662484 823981804 /nfs/dbraw/zinc/98/18/04/823981804.db2.gz ZLIHBEVQUSJGPY-WMZOPIPTSA-N 1 2 386.927 4.051 20 0 GIADLO Cc1cccc(OCCC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000126931118 823983811 /nfs/dbraw/zinc/98/38/11/823983811.db2.gz SXQMZCJKXCRJLG-RTBURBONSA-N 1 2 382.504 4.012 20 0 GIADLO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126945590 823987199 /nfs/dbraw/zinc/98/71/99/823987199.db2.gz FJHNLNYVABDMBV-QHCPKHFHSA-N 1 2 388.467 4.218 20 0 GIADLO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126945590 823987204 /nfs/dbraw/zinc/98/72/04/823987204.db2.gz FJHNLNYVABDMBV-QHCPKHFHSA-N 1 2 388.467 4.218 20 0 GIADLO CCOc1ccc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1OCC ZINC000126962237 823990388 /nfs/dbraw/zinc/99/03/88/823990388.db2.gz USTSDNGQGXKAQT-UHFFFAOYSA-N 1 2 395.503 4.131 20 0 GIADLO CCOc1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1OCC ZINC000126962237 823990392 /nfs/dbraw/zinc/99/03/92/823990392.db2.gz USTSDNGQGXKAQT-UHFFFAOYSA-N 1 2 395.503 4.131 20 0 GIADLO COc1cccc2c1CC[C@H]([NH2+][C@H](c1noc(C)n1)c1ccc(Cl)cc1)C2 ZINC000192446989 823995883 /nfs/dbraw/zinc/99/58/83/823995883.db2.gz LXEQCGDZIIGLCD-PXNSSMCTSA-N 1 2 383.879 4.277 20 0 GIADLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192461718 823999789 /nfs/dbraw/zinc/99/97/89/823999789.db2.gz OICACJSYKYQFOG-MRXNPFEDSA-N 1 2 382.479 4.310 20 0 GIADLO COC(=O)Nc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000192492303 824010005 /nfs/dbraw/zinc/01/00/05/824010005.db2.gz SJSBFTXVRWGKHD-UHFFFAOYSA-N 1 2 390.443 4.317 20 0 GIADLO CC(C)CCOCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000127068710 824010606 /nfs/dbraw/zinc/01/06/06/824010606.db2.gz CJXCESJDGFOLEH-OAHLLOKOSA-N 1 2 380.533 4.184 20 0 GIADLO COc1cc2c(cc1Cl)CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)CC2 ZINC000575863618 824015579 /nfs/dbraw/zinc/01/55/79/824015579.db2.gz XJWCIVIAXGQDDI-GOSISDBHSA-N 1 2 395.890 4.179 20 0 GIADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1CCC(OC[C@H]2CCCO2)CC1 ZINC000575874119 824017347 /nfs/dbraw/zinc/01/73/47/824017347.db2.gz PREYIEQHLUYODP-NKELODKYSA-N 1 2 383.492 4.078 20 0 GIADLO C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)c1cc2ccccc2s1 ZINC000170968933 824022556 /nfs/dbraw/zinc/02/25/56/824022556.db2.gz XMFULWTXKLOUCB-AOMKIAJQSA-N 1 2 394.540 4.277 20 0 GIADLO CC1(C)CN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)[C@H]1c1cccnc1 ZINC000575995875 824046275 /nfs/dbraw/zinc/04/62/75/824046275.db2.gz CFWMLDHXTCANIP-IBGZPJMESA-N 1 2 395.894 4.213 20 0 GIADLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)nc1)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000359894486 206268078 /nfs/dbraw/zinc/26/80/78/206268078.db2.gz GCFINQQFUSYWSC-HSZRJFAPSA-N 1 2 397.482 4.222 20 0 GIADLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000022196035 207248590 /nfs/dbraw/zinc/24/85/90/207248590.db2.gz YRRILMDWTAZACR-MRXNPFEDSA-N 1 2 378.234 4.385 20 0 GIADLO c1cc(-c2nc(C[NH+]3CCN(c4ncnc5sccc54)CC3)cs2)cs1 ZINC000022225718 207249507 /nfs/dbraw/zinc/24/95/07/207249507.db2.gz FATZNBWDDYUERC-UHFFFAOYSA-N 1 2 399.570 4.199 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164660599 719344565 /nfs/dbraw/zinc/34/45/65/719344565.db2.gz IXYFUUYKDMHEDC-NSHGMRRFSA-N 1 2 378.944 4.409 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164660599 719344568 /nfs/dbraw/zinc/34/45/68/719344568.db2.gz IXYFUUYKDMHEDC-NSHGMRRFSA-N 1 2 378.944 4.409 20 0 GIADLO C[C@H](CCCc1cccnc1)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000458488065 823046572 /nfs/dbraw/zinc/04/65/72/823046572.db2.gz SUUZWBIHINCNBT-MSOLQXFVSA-N 1 2 377.492 4.039 20 0 GIADLO CCO[C@@H](C)c1nc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cs1 ZINC000120761740 823058981 /nfs/dbraw/zinc/05/89/81/823058981.db2.gz WQOXBFDIWIEFBH-IFXJQAMLSA-N 1 2 378.513 4.325 20 0 GIADLO C[C@H]1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000187419232 823059916 /nfs/dbraw/zinc/05/99/16/823059916.db2.gz CXHNCHXETWQVIW-YOEHRIQHSA-N 1 2 392.906 4.246 20 0 GIADLO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000175872125 823060668 /nfs/dbraw/zinc/06/06/68/823060668.db2.gz QIZNARWBNGQWOR-UHFFFAOYSA-N 1 2 379.932 4.347 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)cs1)c1ccc(Cl)cc1 ZINC000120781243 823062969 /nfs/dbraw/zinc/06/29/69/823062969.db2.gz ADNLZVWMRVEYEV-ZFWWWQNUSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)cs1)c1ccc(Cl)cc1 ZINC000120781243 823062974 /nfs/dbraw/zinc/06/29/74/823062974.db2.gz ADNLZVWMRVEYEV-ZFWWWQNUSA-N 1 2 393.940 4.074 20 0 GIADLO Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120792716 823065386 /nfs/dbraw/zinc/06/53/86/823065386.db2.gz YWTNJIXVDUPNBM-CQSZACIVSA-N 1 2 386.546 4.008 20 0 GIADLO Cc1cccc(COc2cccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)c2)c1 ZINC000120830614 823073005 /nfs/dbraw/zinc/07/30/05/823073005.db2.gz LDSHQCXTWJHNQN-UHFFFAOYSA-N 1 2 375.472 4.248 20 0 GIADLO C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000570764255 823083325 /nfs/dbraw/zinc/08/33/25/823083325.db2.gz RPOZGEAPWNBAKJ-ZDUSSCGKSA-N 1 2 376.382 4.448 20 0 GIADLO Cc1c(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cccc1-c1ncco1 ZINC000570774894 823085744 /nfs/dbraw/zinc/08/57/44/823085744.db2.gz AKNXZVARUHUFJZ-UHFFFAOYSA-N 1 2 382.489 4.061 20 0 GIADLO C[C@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176003022 823092909 /nfs/dbraw/zinc/09/29/09/823092909.db2.gz JXLSCJBEZBGRQC-SFHVURJKSA-N 1 2 392.547 4.050 20 0 GIADLO C[C@@H](c1ccccc1F)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176008572 823094639 /nfs/dbraw/zinc/09/46/39/823094639.db2.gz MTRZAANMJYAVPP-KRWDZBQOSA-N 1 2 398.526 4.263 20 0 GIADLO COCC1=CC[N@H+](Cc2cc(Br)cc(C)c2OC(F)F)CC1 ZINC000187613701 823098031 /nfs/dbraw/zinc/09/80/31/823098031.db2.gz SHMOPUOVLDRDQQ-UHFFFAOYSA-N 1 2 376.241 4.137 20 0 GIADLO COCC1=CC[N@@H+](Cc2cc(Br)cc(C)c2OC(F)F)CC1 ZINC000187613701 823098034 /nfs/dbraw/zinc/09/80/34/823098034.db2.gz SHMOPUOVLDRDQQ-UHFFFAOYSA-N 1 2 376.241 4.137 20 0 GIADLO CCS[C@H]1CC[C@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000458892546 823102692 /nfs/dbraw/zinc/10/26/92/823102692.db2.gz WPVKPOGCPZMOKI-GJZGRUSLSA-N 1 2 392.956 4.341 20 0 GIADLO Fc1cccc2oc(Sc3nnc(C[NH+]4CCCC4)n3-c3ccccc3)nc21 ZINC000570876525 823100530 /nfs/dbraw/zinc/10/05/30/823100530.db2.gz LHHPFKFPJIVISO-UHFFFAOYSA-N 1 2 395.463 4.295 20 0 GIADLO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1OC ZINC000121053195 823109753 /nfs/dbraw/zinc/10/97/53/823109753.db2.gz UGDZYJUKIKZWIS-AWEZNQCLSA-N 1 2 391.537 4.224 20 0 GIADLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1OC ZINC000121053195 823109757 /nfs/dbraw/zinc/10/97/57/823109757.db2.gz UGDZYJUKIKZWIS-AWEZNQCLSA-N 1 2 391.537 4.224 20 0 GIADLO FC(F)(F)c1ccc(O[C@H]2CC[N@H+](Cc3cnc4ccc(Cl)cn34)C2)nc1 ZINC000571006956 823119245 /nfs/dbraw/zinc/11/92/45/823119245.db2.gz QWKJMDWRSMOBNZ-HNNXBMFYSA-N 1 2 396.800 4.055 20 0 GIADLO FC(F)(F)c1ccc(O[C@H]2CC[N@@H+](Cc3cnc4ccc(Cl)cn34)C2)nc1 ZINC000571006956 823119246 /nfs/dbraw/zinc/11/92/46/823119246.db2.gz QWKJMDWRSMOBNZ-HNNXBMFYSA-N 1 2 396.800 4.055 20 0 GIADLO Cc1cccc(-n2c(=S)n(C[N@H+](C)C[C@H]3CCOC3)nc2-c2ccccc2)c1 ZINC000176097450 823119301 /nfs/dbraw/zinc/11/93/01/823119301.db2.gz VNBGZHCGNWPWLC-GOSISDBHSA-N 1 2 394.544 4.305 20 0 GIADLO Cc1cccc(-n2c(=S)n(C[N@@H+](C)C[C@H]3CCOC3)nc2-c2ccccc2)c1 ZINC000176097450 823119305 /nfs/dbraw/zinc/11/93/05/823119305.db2.gz VNBGZHCGNWPWLC-GOSISDBHSA-N 1 2 394.544 4.305 20 0 GIADLO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c(OC)c1 ZINC000121090737 823116550 /nfs/dbraw/zinc/11/65/50/823116550.db2.gz BLANXJMZIHDBFH-CQSZACIVSA-N 1 2 391.537 4.224 20 0 GIADLO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c(OC)c1 ZINC000121090737 823116553 /nfs/dbraw/zinc/11/65/53/823116553.db2.gz BLANXJMZIHDBFH-CQSZACIVSA-N 1 2 391.537 4.224 20 0 GIADLO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121112634 823120583 /nfs/dbraw/zinc/12/05/83/823120583.db2.gz HZIATSHTLJZSKC-AWEZNQCLSA-N 1 2 388.537 4.165 20 0 GIADLO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121112634 823120585 /nfs/dbraw/zinc/12/05/85/823120585.db2.gz HZIATSHTLJZSKC-AWEZNQCLSA-N 1 2 388.537 4.165 20 0 GIADLO CC[C@@H]([NH2+][C@H](c1nccn1C)c1cc(OC)cc(OC)c1)c1cccc(F)c1 ZINC000187738989 823122956 /nfs/dbraw/zinc/12/29/56/823122956.db2.gz PSNQILXEQGNTQQ-RTWAWAEBSA-N 1 2 383.467 4.407 20 0 GIADLO O=C(NC[C@@H]1CCCC1(F)F)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000459073346 823124171 /nfs/dbraw/zinc/12/41/71/823124171.db2.gz RSVRRSJXJVULSO-INIZCTEOSA-N 1 2 396.869 4.184 20 0 GIADLO Cc1cc(C)c(CNC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)c[nH+]1 ZINC000459081426 823125117 /nfs/dbraw/zinc/12/51/17/823125117.db2.gz QZZNIZUSXDDXSR-UHFFFAOYSA-N 1 2 379.382 4.086 20 0 GIADLO CSc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1Cl ZINC000176116422 823125422 /nfs/dbraw/zinc/12/54/22/823125422.db2.gz DZCPHMZXBQORLD-UHFFFAOYSA-N 1 2 376.913 4.379 20 0 GIADLO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)NCc1c[nH+]c(C)cc1C ZINC000459114848 823129872 /nfs/dbraw/zinc/12/98/72/823129872.db2.gz IPDHNZOMKLJXFE-FQEVSTJZSA-N 1 2 377.492 4.115 20 0 GIADLO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)n(C(C)(C)C)n1 ZINC000121150643 823127719 /nfs/dbraw/zinc/12/77/19/823127719.db2.gz SHCVVCVUQFOSKO-OAHLLOKOSA-N 1 2 391.585 4.466 20 0 GIADLO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)n(C(C)(C)C)n1 ZINC000121150643 823127723 /nfs/dbraw/zinc/12/77/23/823127723.db2.gz SHCVVCVUQFOSKO-OAHLLOKOSA-N 1 2 391.585 4.466 20 0 GIADLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cn1c2cc(Cl)ccc2oc1=S ZINC000176122247 823127735 /nfs/dbraw/zinc/12/77/35/823127735.db2.gz LNULENRTAFDWME-XMMPIXPASA-N 1 2 380.922 4.444 20 0 GIADLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cn1c2cc(Cl)ccc2oc1=S ZINC000176122247 823127737 /nfs/dbraw/zinc/12/77/37/823127737.db2.gz LNULENRTAFDWME-XMMPIXPASA-N 1 2 380.922 4.444 20 0 GIADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000571103295 823132659 /nfs/dbraw/zinc/13/26/59/823132659.db2.gz OWHWFRFRPPQAGM-RTBURBONSA-N 1 2 394.519 4.167 20 0 GIADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121193589 823135928 /nfs/dbraw/zinc/13/59/28/823135928.db2.gz HGYGQIAYOBCALZ-SFHVURJKSA-N 1 2 383.927 4.304 20 0 GIADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121193589 823135931 /nfs/dbraw/zinc/13/59/31/823135931.db2.gz HGYGQIAYOBCALZ-SFHVURJKSA-N 1 2 383.927 4.304 20 0 GIADLO COc1ccc([C@@H](C)[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1O ZINC000571129475 823137467 /nfs/dbraw/zinc/13/74/67/823137467.db2.gz RTVKIJXIOKVEHE-OPAMFIHVSA-N 1 2 376.456 4.431 20 0 GIADLO Cc1coc(-c2ccc(C)c(NC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2)n1 ZINC000121210291 823139358 /nfs/dbraw/zinc/13/93/58/823139358.db2.gz YPBXUBHBTRMHST-BEFAXECRSA-N 1 2 379.464 4.270 20 0 GIADLO Cc1c2ccccc2oc1[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000056385462 823141088 /nfs/dbraw/zinc/14/10/88/823141088.db2.gz KSTNBOMXPIKOOJ-INIZCTEOSA-N 1 2 378.476 4.297 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C2(Cc3ccccc3F)CC2)C[C@@H](C)O1 ZINC000187832483 823142209 /nfs/dbraw/zinc/14/22/09/823142209.db2.gz YWYOJBUJWROPKC-QZTJIDSGSA-N 1 2 396.506 4.396 20 0 GIADLO Cc1ccc(-c2nc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cs2)c(C)c1 ZINC000121242741 823145962 /nfs/dbraw/zinc/14/59/62/823145962.db2.gz NFXNVOAOPCZHRL-QGZVFWFLSA-N 1 2 379.485 4.115 20 0 GIADLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121240409 823145510 /nfs/dbraw/zinc/14/55/10/823145510.db2.gz IPDSKZPCXWAQCE-GOSISDBHSA-N 1 2 383.927 4.304 20 0 GIADLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121240409 823145512 /nfs/dbraw/zinc/14/55/12/823145512.db2.gz IPDSKZPCXWAQCE-GOSISDBHSA-N 1 2 383.927 4.304 20 0 GIADLO COC(=O)c1cc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)oc1C ZINC000121252865 823148026 /nfs/dbraw/zinc/14/80/26/823148026.db2.gz DUFHBPALROYOGU-NRFANRHFSA-N 1 2 383.419 4.402 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000121257042 823149302 /nfs/dbraw/zinc/14/93/02/823149302.db2.gz PZMOWBMTNCXHDF-UHFFFAOYSA-N 1 2 390.793 4.032 20 0 GIADLO CCOc1cc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc(Cl)c1O ZINC000459307644 823159719 /nfs/dbraw/zinc/15/97/19/823159719.db2.gz JGQPFGLYBQCUTR-UHFFFAOYSA-N 1 2 394.943 4.059 20 0 GIADLO CCOc1cc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc(Cl)c1O ZINC000459307644 823159720 /nfs/dbraw/zinc/15/97/20/823159720.db2.gz JGQPFGLYBQCUTR-UHFFFAOYSA-N 1 2 394.943 4.059 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccco2)C1)Nc1ccccc1Oc1ccccc1 ZINC000121340462 823166204 /nfs/dbraw/zinc/16/62/04/823166204.db2.gz ZLPVRMHCZKXVDG-JOCHJYFZSA-N 1 2 392.455 4.474 20 0 GIADLO O=C(CC[N@H+]1CCO[C@@H](c2ccco2)C1)Nc1ccccc1Oc1ccccc1 ZINC000121340462 823166209 /nfs/dbraw/zinc/16/62/09/823166209.db2.gz ZLPVRMHCZKXVDG-JOCHJYFZSA-N 1 2 392.455 4.474 20 0 GIADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459337851 823164307 /nfs/dbraw/zinc/16/43/07/823164307.db2.gz BVJCFFOILSKZTH-AXJDHONKSA-N 1 2 387.545 4.032 20 0 GIADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459337851 823164310 /nfs/dbraw/zinc/16/43/10/823164310.db2.gz BVJCFFOILSKZTH-AXJDHONKSA-N 1 2 387.545 4.032 20 0 GIADLO Cc1cc(N2CCCC2)ccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056553604 823168187 /nfs/dbraw/zinc/16/81/87/823168187.db2.gz FFFVEEOGSJFVBO-UHFFFAOYSA-N 1 2 375.476 4.103 20 0 GIADLO CC(C)c1cccc(O[C@H](C(=O)NCCc2c[nH+]cn2C)c2ccccc2)c1 ZINC000121350777 823168438 /nfs/dbraw/zinc/16/84/38/823168438.db2.gz PETNDBZTGGIQLV-QFIPXVFZSA-N 1 2 377.488 4.023 20 0 GIADLO Fc1ccc([C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)c2ncc[nH]2)cc1 ZINC000188000971 823169861 /nfs/dbraw/zinc/16/98/61/823169861.db2.gz IKDDHCCPXLMMII-QFIPXVFZSA-N 1 2 395.478 4.124 20 0 GIADLO CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC000176291422 823173881 /nfs/dbraw/zinc/17/38/81/823173881.db2.gz IBFYSOIAXXMCIP-LLVKDONJSA-N 1 2 376.869 4.250 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000056597820 823177736 /nfs/dbraw/zinc/17/77/36/823177736.db2.gz DVICSCRCWKRJMO-LJQANCHMSA-N 1 2 398.938 4.252 20 0 GIADLO C[C@H](CCCc1cccnc1)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000459382130 823178550 /nfs/dbraw/zinc/17/85/50/823178550.db2.gz FDWGWZRYRRSBBH-RTBURBONSA-N 1 2 396.535 4.008 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC[C@@H]2C2CCCC2)C[C@H](C)O1 ZINC000056629156 823185446 /nfs/dbraw/zinc/18/54/46/823185446.db2.gz CPKCOYYBZUEDOF-KGVIQGDOSA-N 1 2 385.552 4.482 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC[C@@H]2C2CCCC2)C[C@H](C)O1 ZINC000056629156 823185452 /nfs/dbraw/zinc/18/54/52/823185452.db2.gz CPKCOYYBZUEDOF-KGVIQGDOSA-N 1 2 385.552 4.482 20 0 GIADLO Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000056661895 823191958 /nfs/dbraw/zinc/19/19/58/823191958.db2.gz REGVHYNCTOSXCE-PNCHPQGNSA-N 1 2 393.531 4.413 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC[C@@H]2c2ccccn2)C[C@H](C)O1 ZINC000056661890 823192101 /nfs/dbraw/zinc/19/21/01/823192101.db2.gz PEIFBRCTOIGXPD-KGVIQGDOSA-N 1 2 394.519 4.060 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC[C@@H]2c2ccccn2)C[C@H](C)O1 ZINC000056661890 823192103 /nfs/dbraw/zinc/19/21/03/823192103.db2.gz PEIFBRCTOIGXPD-KGVIQGDOSA-N 1 2 394.519 4.060 20 0 GIADLO O=C(c1occc1CSc1ccccc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121502455 823195932 /nfs/dbraw/zinc/19/59/32/823195932.db2.gz UOHSRUGLQOTJBD-GOSISDBHSA-N 1 2 380.469 4.260 20 0 GIADLO CCC(CC)(Cc1nc2ccccc2s1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000176403616 823200877 /nfs/dbraw/zinc/20/08/77/823200877.db2.gz VOLLENKTAZBZFH-MRXNPFEDSA-N 1 2 384.549 4.294 20 0 GIADLO FC(F)(F)Oc1cccc([C@@H]2C[N@H+](Cc3scnc3C3CC3)CCO2)c1 ZINC000571602966 823206421 /nfs/dbraw/zinc/20/64/21/823206421.db2.gz QUTLHRISXUTXHQ-HNNXBMFYSA-N 1 2 384.423 4.493 20 0 GIADLO FC(F)(F)Oc1cccc([C@@H]2C[N@@H+](Cc3scnc3C3CC3)CCO2)c1 ZINC000571602966 823206423 /nfs/dbraw/zinc/20/64/23/823206423.db2.gz QUTLHRISXUTXHQ-HNNXBMFYSA-N 1 2 384.423 4.493 20 0 GIADLO C[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000459496145 823204253 /nfs/dbraw/zinc/20/42/53/823204253.db2.gz WRGUNJIMDCJAHC-SJKOYZFVSA-N 1 2 393.409 4.040 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000459496145 823204259 /nfs/dbraw/zinc/20/42/59/823204259.db2.gz WRGUNJIMDCJAHC-SJKOYZFVSA-N 1 2 393.409 4.040 20 0 GIADLO O[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000188213405 823204312 /nfs/dbraw/zinc/20/43/12/823204312.db2.gz WOXMKJLHYYLIPI-DOTOQJQBSA-N 1 2 380.250 4.268 20 0 GIADLO CCCOc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(C)c1 ZINC000056747289 823205740 /nfs/dbraw/zinc/20/57/40/823205740.db2.gz YIBVZJJLPGJOIW-UHFFFAOYSA-N 1 2 392.503 4.393 20 0 GIADLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000188224462 823206290 /nfs/dbraw/zinc/20/62/90/823206290.db2.gz YMGKWXMYQVNCMJ-PBHICJAKSA-N 1 2 395.425 4.169 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)c1cc2ccccc2o1 ZINC000176442903 823208743 /nfs/dbraw/zinc/20/87/43/823208743.db2.gz NYZBLWNFSKRDDC-QGZVFWFLSA-N 1 2 378.472 4.316 20 0 GIADLO OCC1([C@@H]([NH2+]Cc2nc(-c3ccc(F)cc3)no2)c2ccccc2)CCCC1 ZINC000459518691 823209854 /nfs/dbraw/zinc/20/98/54/823209854.db2.gz CQSONBXYRAFIRL-FQEVSTJZSA-N 1 2 381.451 4.259 20 0 GIADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000571635861 823212863 /nfs/dbraw/zinc/21/28/63/823212863.db2.gz VPVXFXBXWSKWGR-NSISKUIASA-N 1 2 381.426 4.272 20 0 GIADLO COc1ccc2c(c1)C1(CC1)CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C2 ZINC000571635877 823212890 /nfs/dbraw/zinc/21/28/90/823212890.db2.gz WSTHWXYRSKVWFQ-FQEVSTJZSA-N 1 2 387.483 4.014 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000121607540 823215058 /nfs/dbraw/zinc/21/50/58/823215058.db2.gz JAITZWBNDXGANZ-ZDUSSCGKSA-N 1 2 380.464 4.221 20 0 GIADLO Fc1cccc(Cl)c1CN(CCCn1cc[nH+]c1)Cc1cnc(C2CC2)nc1 ZINC000459556505 823219831 /nfs/dbraw/zinc/21/98/31/823219831.db2.gz IOKCJKBUDYMENR-UHFFFAOYSA-N 1 2 399.901 4.436 20 0 GIADLO COc1cccc([C@@H]2C[C@H](C)CN2C(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000571695426 823220143 /nfs/dbraw/zinc/22/01/43/823220143.db2.gz DQRDSIUBUIOQAG-MBSDFSHPSA-N 1 2 389.499 4.092 20 0 GIADLO O=C(CCCC1CCOCC1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000409451768 823221590 /nfs/dbraw/zinc/22/15/90/823221590.db2.gz DGGVIXQYRGOERF-LJQANCHMSA-N 1 2 396.934 4.329 20 0 GIADLO COc1cccc(-c2nc(C[S@](=O)Cc3cn4cccc(C)c4[nH+]3)cs2)c1 ZINC000176501549 823222668 /nfs/dbraw/zinc/22/26/68/823222668.db2.gz NAIWCOCDLZMXFY-HHHXNRCGSA-N 1 2 397.525 4.224 20 0 GIADLO Cc1cccn2cc(C[S@](=O)Cc3csc(-c4ccccc4F)n3)[nH+]c12 ZINC000176509373 823224724 /nfs/dbraw/zinc/22/47/24/823224724.db2.gz HDUKFICITAWMEM-SANMLTNESA-N 1 2 385.489 4.354 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@H]1c1cccc(Br)c1 ZINC000571724414 823225668 /nfs/dbraw/zinc/22/56/68/823225668.db2.gz JGTMHLSHOCKIAT-INIZCTEOSA-N 1 2 385.265 4.466 20 0 GIADLO COc1ccc([C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C(C)C)cc1 ZINC000056894684 823229380 /nfs/dbraw/zinc/22/93/80/823229380.db2.gz ZBDOWMFEHGUNIM-OAQYLSRUSA-N 1 2 378.476 4.077 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000056895724 823229656 /nfs/dbraw/zinc/22/96/56/823229656.db2.gz CNWZAZLRYOKZOI-OAQYLSRUSA-N 1 2 375.476 4.094 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)[C@@H](C)c3nc(-c4ccc(F)c(C)c4)no3)[nH+]c12 ZINC000176531669 823230384 /nfs/dbraw/zinc/23/03/84/823230384.db2.gz HVGZNSPASILLQX-HJFSHJIFSA-N 1 2 398.463 4.150 20 0 GIADLO CCc1ccc(CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C2CC2)cc1 ZINC000409482743 823231393 /nfs/dbraw/zinc/23/13/93/823231393.db2.gz BSPIFWMIXVBFNU-UHFFFAOYSA-N 1 2 392.478 4.448 20 0 GIADLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000056931980 823232231 /nfs/dbraw/zinc/23/22/31/823232231.db2.gz AWINXZSICZXUEH-MRXNPFEDSA-N 1 2 382.439 4.265 20 0 GIADLO CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409501401 823235805 /nfs/dbraw/zinc/23/58/05/823235805.db2.gz MKAPPUHIHALZSK-KRWDZBQOSA-N 1 2 384.480 4.292 20 0 GIADLO Cc1cnccc1CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000188414010 823236937 /nfs/dbraw/zinc/23/69/37/823236937.db2.gz OPMIKCXBPFAAIL-UHFFFAOYSA-N 1 2 396.494 4.161 20 0 GIADLO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3c3nc(C)no3)o2)cc1 ZINC000571805899 823236982 /nfs/dbraw/zinc/23/69/82/823236982.db2.gz JNULQJWHLCNFBY-GOSISDBHSA-N 1 2 381.432 4.152 20 0 GIADLO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3c3nc(C)no3)o2)cc1 ZINC000571805899 823236985 /nfs/dbraw/zinc/23/69/85/823236985.db2.gz JNULQJWHLCNFBY-GOSISDBHSA-N 1 2 381.432 4.152 20 0 GIADLO CC[C@H]([NH2+]Cc1nnc2ccccn21)c1ccc(Br)cc1Cl ZINC000188440812 823241054 /nfs/dbraw/zinc/24/10/54/823241054.db2.gz HQYRKRNVILAJPI-AWEZNQCLSA-N 1 2 379.689 4.386 20 0 GIADLO CC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(Br)cc1Cl ZINC000188459667 823243507 /nfs/dbraw/zinc/24/35/07/823243507.db2.gz WPWPTAYCDJPUNI-CQSZACIVSA-N 1 2 383.721 4.271 20 0 GIADLO CC(=O)N(c1nc(C[NH2+]Cc2ccc(Br)c(C)c2)cs1)C1CC1 ZINC000459662754 823244701 /nfs/dbraw/zinc/24/47/01/823244701.db2.gz NUWDTQJWWQQRHT-UHFFFAOYSA-N 1 2 394.338 4.019 20 0 GIADLO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(-c2cccnc2)cc1 ZINC000176601194 823245873 /nfs/dbraw/zinc/24/58/73/823245873.db2.gz QJQSUBIRKCIIPV-SFHVURJKSA-N 1 2 389.503 4.396 20 0 GIADLO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)c1 ZINC000459683964 823250014 /nfs/dbraw/zinc/25/00/14/823250014.db2.gz UTLHYOQIVXJBCT-UHFFFAOYSA-N 1 2 396.539 4.019 20 0 GIADLO CCc1nc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)sc1C(C)(C)C ZINC000459682827 823250039 /nfs/dbraw/zinc/25/00/39/823250039.db2.gz ATSGPQLBVZTPOK-CYBMUJFWSA-N 1 2 375.542 4.148 20 0 GIADLO NC(=O)c1coc(C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)c1 ZINC000188493525 823250298 /nfs/dbraw/zinc/25/02/98/823250298.db2.gz CKVQAUIWVCUQGT-OAHLLOKOSA-N 1 2 383.673 4.035 20 0 GIADLO C[C@H](CCCC(F)(F)F)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409618857 823263143 /nfs/dbraw/zinc/26/31/43/823263143.db2.gz YYZKJBIAYDPGRH-CABCVRRESA-N 1 2 386.462 4.230 20 0 GIADLO Cc1c([C@H]2CCC[N@@H+]2Cc2nnc(-c3cc4c(s3)CCCC4)o2)cnn1C ZINC000121867345 823266385 /nfs/dbraw/zinc/26/63/85/823266385.db2.gz DRDZBGDWIKTBEX-MRXNPFEDSA-N 1 2 383.521 4.056 20 0 GIADLO Cc1c([C@H]2CCC[N@H+]2Cc2nnc(-c3cc4c(s3)CCCC4)o2)cnn1C ZINC000121867345 823266388 /nfs/dbraw/zinc/26/63/88/823266388.db2.gz DRDZBGDWIKTBEX-MRXNPFEDSA-N 1 2 383.521 4.056 20 0 GIADLO C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@H](C)C1CCCCC1 ZINC000176687078 823268150 /nfs/dbraw/zinc/26/81/50/823268150.db2.gz MDRYDHHOVUCPJV-ZWKOTPCHSA-N 1 2 396.535 4.247 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccc2c(c1)OCO2 ZINC000121904962 823274037 /nfs/dbraw/zinc/27/40/37/823274037.db2.gz RZMYPCOHZVPOCL-LBPRGKRZSA-N 1 2 383.473 4.256 20 0 GIADLO Cn1c[nH+]cc1CNC(=O)NCc1cccc(Oc2ccc3ccccc3c2)c1 ZINC000572086279 823280801 /nfs/dbraw/zinc/28/08/01/823280801.db2.gz JXANXQPUYJHMLM-UHFFFAOYSA-N 1 2 386.455 4.365 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2csc(C(F)(F)F)n2)C[C@H](C)O1 ZINC000188665637 823282662 /nfs/dbraw/zinc/28/26/62/823282662.db2.gz XXKMWPOEPHDMLH-RYUDHWBXSA-N 1 2 399.438 4.023 20 0 GIADLO CCc1ccc2c(C[N@H+](C)CC(=O)Nc3ccccc3SC)cc(=O)oc2c1 ZINC000006653569 817716267 /nfs/dbraw/zinc/71/62/67/817716267.db2.gz BZLZITZVUQLAGK-UHFFFAOYSA-N 1 2 396.512 4.148 20 0 GIADLO CCc1ccc2c(C[N@@H+](C)CC(=O)Nc3ccccc3SC)cc(=O)oc2c1 ZINC000006653569 817716272 /nfs/dbraw/zinc/71/62/72/817716272.db2.gz BZLZITZVUQLAGK-UHFFFAOYSA-N 1 2 396.512 4.148 20 0 GIADLO CO[C@H](C)c1nc(CNc2cc[nH+]c3c(Br)ccc(F)c23)cs1 ZINC000409711036 823288204 /nfs/dbraw/zinc/28/82/04/823288204.db2.gz JRFBPNCGYKYHON-SECBINFHSA-N 1 2 396.285 4.334 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000007266970 817807928 /nfs/dbraw/zinc/80/79/28/817807928.db2.gz AKWIAVYRTICNNC-ZDUSSCGKSA-N 1 2 378.394 4.367 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000007266970 817807936 /nfs/dbraw/zinc/80/79/36/817807936.db2.gz AKWIAVYRTICNNC-ZDUSSCGKSA-N 1 2 378.394 4.367 20 0 GIADLO Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000007359954 817823457 /nfs/dbraw/zinc/82/34/57/817823457.db2.gz FNSIKISBXPHIBD-IBGZPJMESA-N 1 2 379.529 4.101 20 0 GIADLO Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000007359954 817823465 /nfs/dbraw/zinc/82/34/65/817823465.db2.gz FNSIKISBXPHIBD-IBGZPJMESA-N 1 2 379.529 4.101 20 0 GIADLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2ccc(C)cc2Cl)cc1OC ZINC000007452108 817844867 /nfs/dbraw/zinc/84/48/67/817844867.db2.gz QTKXYMMHMKUMMY-UHFFFAOYSA-N 1 2 376.884 4.045 20 0 GIADLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2Cl)cc1OC ZINC000007452108 817844878 /nfs/dbraw/zinc/84/48/78/817844878.db2.gz QTKXYMMHMKUMMY-UHFFFAOYSA-N 1 2 376.884 4.045 20 0 GIADLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2Cl)cc1OC ZINC000007452569 817844933 /nfs/dbraw/zinc/84/49/33/817844933.db2.gz BMASPZYBMVXBSD-UHFFFAOYSA-N 1 2 397.302 4.390 20 0 GIADLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2Cl)cc1OC ZINC000007452569 817844939 /nfs/dbraw/zinc/84/49/39/817844939.db2.gz BMASPZYBMVXBSD-UHFFFAOYSA-N 1 2 397.302 4.390 20 0 GIADLO COc1c(Br)cccc1C[NH2+]Cc1csc(-c2ccco2)n1 ZINC000176806139 823297629 /nfs/dbraw/zinc/29/76/29/823297629.db2.gz JHTRDHDBVOKQGP-UHFFFAOYSA-N 1 2 379.279 4.464 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000122027273 823295866 /nfs/dbraw/zinc/29/58/66/823295866.db2.gz WUKPOLMYEKMNFB-UHFFFAOYSA-N 1 2 394.906 4.459 20 0 GIADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188769775 823300975 /nfs/dbraw/zinc/30/09/75/823300975.db2.gz ZHHLTTBFTAMHAL-LJQANCHMSA-N 1 2 384.277 4.011 20 0 GIADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188769775 823300982 /nfs/dbraw/zinc/30/09/82/823300982.db2.gz ZHHLTTBFTAMHAL-LJQANCHMSA-N 1 2 384.277 4.011 20 0 GIADLO O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188770175 823301387 /nfs/dbraw/zinc/30/13/87/823301387.db2.gz ICITWLAJWZLPNA-HNNXBMFYSA-N 1 2 397.862 4.193 20 0 GIADLO CC[C@H](C)Oc1cccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000057482936 823302783 /nfs/dbraw/zinc/30/27/83/823302783.db2.gz VPIQKBNFQQSXPW-KRWDZBQOSA-N 1 2 378.476 4.430 20 0 GIADLO CC[NH+](CC)[C@H](c1nc(C2CCOCC2)no1)c1cccc(C(F)(F)F)c1 ZINC000572203594 823299408 /nfs/dbraw/zinc/29/94/08/823299408.db2.gz HXHUMBXYWRGDFY-INIZCTEOSA-N 1 2 383.414 4.414 20 0 GIADLO O=C(Nc1ccccc1)C1CC[NH+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000008190642 818015551 /nfs/dbraw/zinc/01/55/51/818015551.db2.gz ONXRURQASLOAEG-UHFFFAOYSA-N 1 2 385.467 4.108 20 0 GIADLO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008262404 818026168 /nfs/dbraw/zinc/02/61/68/818026168.db2.gz OBQGUWJZUKKDLK-MRXNPFEDSA-N 1 2 393.512 4.317 20 0 GIADLO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008262404 818026178 /nfs/dbraw/zinc/02/61/78/818026178.db2.gz OBQGUWJZUKKDLK-MRXNPFEDSA-N 1 2 393.512 4.317 20 0 GIADLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000572267273 823310074 /nfs/dbraw/zinc/31/00/74/823310074.db2.gz ZSFPUQZEDWNSRF-INIZCTEOSA-N 1 2 398.304 4.171 20 0 GIADLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000572267273 823310080 /nfs/dbraw/zinc/31/00/80/823310080.db2.gz ZSFPUQZEDWNSRF-INIZCTEOSA-N 1 2 398.304 4.171 20 0 GIADLO Fc1cc(Br)cc(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000176852907 823310256 /nfs/dbraw/zinc/31/02/56/823310256.db2.gz MWESEDXXVWXTIQ-UHFFFAOYSA-N 1 2 379.273 4.033 20 0 GIADLO COCc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000011764695 818118117 /nfs/dbraw/zinc/11/81/17/818118117.db2.gz IFDGVSQVJOPEDA-UHFFFAOYSA-N 1 2 393.512 4.100 20 0 GIADLO COCc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000011764695 818118121 /nfs/dbraw/zinc/11/81/21/818118121.db2.gz IFDGVSQVJOPEDA-UHFFFAOYSA-N 1 2 393.512 4.100 20 0 GIADLO Fc1cccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1F ZINC000012133485 818143865 /nfs/dbraw/zinc/14/38/65/818143865.db2.gz LRSIJJRYWYNGLJ-UHFFFAOYSA-N 1 2 386.471 4.434 20 0 GIADLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@H]3c3cccn3C)n2)cc1 ZINC000057622892 823315938 /nfs/dbraw/zinc/31/59/38/823315938.db2.gz AYEIMXSHLYASHT-IBGZPJMESA-N 1 2 380.517 4.233 20 0 GIADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@H]3c3cccn3C)n2)cc1 ZINC000057622892 823315944 /nfs/dbraw/zinc/31/59/44/823315944.db2.gz AYEIMXSHLYASHT-IBGZPJMESA-N 1 2 380.517 4.233 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cnc(Cc2ccccc2)s1 ZINC000122179574 823317409 /nfs/dbraw/zinc/31/74/09/823317409.db2.gz XTIZYWNZMGXKMA-UHFFFAOYSA-N 1 2 392.528 4.049 20 0 GIADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000012980069 818198542 /nfs/dbraw/zinc/19/85/42/818198542.db2.gz GTVCWGCLRHPXQW-JTQLQIEISA-N 1 2 380.217 4.424 20 0 GIADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000012980069 818198546 /nfs/dbraw/zinc/19/85/46/818198546.db2.gz GTVCWGCLRHPXQW-JTQLQIEISA-N 1 2 380.217 4.424 20 0 GIADLO C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000409834568 823320222 /nfs/dbraw/zinc/32/02/22/823320222.db2.gz WQUJFFSUQWGUMU-YOEHRIQHSA-N 1 2 390.325 4.033 20 0 GIADLO Cc1ccc(Cl)c(OCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000014526057 818249240 /nfs/dbraw/zinc/24/92/40/818249240.db2.gz CFPUSGDOZRUADD-UHFFFAOYSA-N 1 2 393.940 4.354 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c(OC)c1 ZINC000015041867 818286155 /nfs/dbraw/zinc/28/61/55/818286155.db2.gz HWUOPPCYIMVTMC-AWEZNQCLSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c(OC)c1 ZINC000015041867 818286160 /nfs/dbraw/zinc/28/61/60/818286160.db2.gz HWUOPPCYIMVTMC-AWEZNQCLSA-N 1 2 376.884 4.125 20 0 GIADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1ccc(Br)s1 ZINC000015109179 818291102 /nfs/dbraw/zinc/29/11/02/818291102.db2.gz GJBIMPOHWFYRMH-SECBINFHSA-N 1 2 388.718 4.018 20 0 GIADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1ccc(Br)s1 ZINC000015109179 818291108 /nfs/dbraw/zinc/29/11/08/818291108.db2.gz GJBIMPOHWFYRMH-SECBINFHSA-N 1 2 388.718 4.018 20 0 GIADLO COc1cc(-c2noc(C[N@H+](C)Cc3ccccc3C)n2)ccc1OC(F)F ZINC000015295285 818307775 /nfs/dbraw/zinc/30/77/75/818307775.db2.gz YVCCKJACBYVYEI-UHFFFAOYSA-N 1 2 389.402 4.287 20 0 GIADLO COc1cc(-c2noc(C[N@@H+](C)Cc3ccccc3C)n2)ccc1OC(F)F ZINC000015295285 818307780 /nfs/dbraw/zinc/30/77/80/818307780.db2.gz YVCCKJACBYVYEI-UHFFFAOYSA-N 1 2 389.402 4.287 20 0 GIADLO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(Cl)cn1 ZINC000015450121 818326448 /nfs/dbraw/zinc/32/64/48/818326448.db2.gz IFTWLYHIRVQTJP-UHFFFAOYSA-N 1 2 386.908 4.163 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000015547528 818337139 /nfs/dbraw/zinc/33/71/39/818337139.db2.gz ARGTZBUCXPIKSM-IBGZPJMESA-N 1 2 399.560 4.178 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000015547528 818337147 /nfs/dbraw/zinc/33/71/47/818337147.db2.gz ARGTZBUCXPIKSM-IBGZPJMESA-N 1 2 399.560 4.178 20 0 GIADLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000015548372 818337320 /nfs/dbraw/zinc/33/73/20/818337320.db2.gz QSZARIRMLOETNB-KRWDZBQOSA-N 1 2 395.528 4.209 20 0 GIADLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000015548372 818337327 /nfs/dbraw/zinc/33/73/27/818337327.db2.gz QSZARIRMLOETNB-KRWDZBQOSA-N 1 2 395.528 4.209 20 0 GIADLO CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000015571476 818339729 /nfs/dbraw/zinc/33/97/29/818339729.db2.gz GIOIFWCWBOGUCU-WMZHIEFXSA-N 1 2 390.531 4.350 20 0 GIADLO CCC[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000015571476 818339739 /nfs/dbraw/zinc/33/97/39/818339739.db2.gz GIOIFWCWBOGUCU-WMZHIEFXSA-N 1 2 390.531 4.350 20 0 GIADLO CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000015571474 818339992 /nfs/dbraw/zinc/33/99/92/818339992.db2.gz GIOIFWCWBOGUCU-AUSIDOKSSA-N 1 2 390.531 4.350 20 0 GIADLO CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000015571474 818339997 /nfs/dbraw/zinc/33/99/97/818339997.db2.gz GIOIFWCWBOGUCU-AUSIDOKSSA-N 1 2 390.531 4.350 20 0 GIADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000122276780 823331609 /nfs/dbraw/zinc/33/16/09/823331609.db2.gz OILSXJLLOUEONX-UHFFFAOYSA-N 1 2 383.801 4.357 20 0 GIADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000122276780 823331615 /nfs/dbraw/zinc/33/16/15/823331615.db2.gz OILSXJLLOUEONX-UHFFFAOYSA-N 1 2 383.801 4.357 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3F)no2)c1 ZINC000188953851 823333457 /nfs/dbraw/zinc/33/34/57/823333457.db2.gz FKMAJVZDIUNVFA-GOSISDBHSA-N 1 2 383.423 4.230 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3F)no2)c1 ZINC000188953851 823333468 /nfs/dbraw/zinc/33/34/68/823333468.db2.gz FKMAJVZDIUNVFA-GOSISDBHSA-N 1 2 383.423 4.230 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CCC(C)C)n1CC ZINC000460260950 823333508 /nfs/dbraw/zinc/33/35/08/823333508.db2.gz XNQAAMJNJMKOEB-UHFFFAOYSA-N 1 2 384.572 4.025 20 0 GIADLO Cc1nc2ccc(C(=O)Nc3nc(C[NH+]4CCC(C)CC4)cs3)cc2nc1C ZINC000057819488 823337410 /nfs/dbraw/zinc/33/74/10/823337410.db2.gz NEBNALJZCKXFMW-UHFFFAOYSA-N 1 2 395.532 4.187 20 0 GIADLO C[N@H+](Cc1nc(-c2cccc(Br)c2)no1)Cc1ccc(F)cc1 ZINC000016379774 818431618 /nfs/dbraw/zinc/43/16/18/818431618.db2.gz QCSOPMJQORQYIH-UHFFFAOYSA-N 1 2 376.229 4.270 20 0 GIADLO C[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)Cc1ccc(F)cc1 ZINC000016379774 818431622 /nfs/dbraw/zinc/43/16/22/818431622.db2.gz QCSOPMJQORQYIH-UHFFFAOYSA-N 1 2 376.229 4.270 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@@H](C)C(=O)Nc1cccc(C)c1)CC2 ZINC000016418903 818440543 /nfs/dbraw/zinc/44/05/43/818440543.db2.gz PSEGRJPMGVJPFR-KRWDZBQOSA-N 1 2 382.504 4.178 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@H+]([C@@H](C)C(=O)Nc1cccc(C)c1)CC2 ZINC000016418903 818440545 /nfs/dbraw/zinc/44/05/45/818440545.db2.gz PSEGRJPMGVJPFR-KRWDZBQOSA-N 1 2 382.504 4.178 20 0 GIADLO O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)N1CCn2c[nH+]cc2C1 ZINC000460277071 823337712 /nfs/dbraw/zinc/33/77/12/823337712.db2.gz QBTYGEQCSIUGAB-QHCPKHFHSA-N 1 2 382.467 4.351 20 0 GIADLO O=C(C[N@H+]1CCC[C@H](CO)C1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000016484261 818448595 /nfs/dbraw/zinc/44/85/95/818448595.db2.gz MZOZJCDJSWEOFL-HNNXBMFYSA-N 1 2 390.936 4.134 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H](CO)C1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000016484261 818448600 /nfs/dbraw/zinc/44/86/00/818448600.db2.gz MZOZJCDJSWEOFL-HNNXBMFYSA-N 1 2 390.936 4.134 20 0 GIADLO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000016558625 818454676 /nfs/dbraw/zinc/45/46/76/818454676.db2.gz QRSCVAGLQJTAHQ-UHFFFAOYSA-N 1 2 386.801 4.438 20 0 GIADLO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000016558625 818454680 /nfs/dbraw/zinc/45/46/80/818454680.db2.gz QRSCVAGLQJTAHQ-UHFFFAOYSA-N 1 2 386.801 4.438 20 0 GIADLO O=C(c1cc2sc3ccccc3c2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638776 818461722 /nfs/dbraw/zinc/46/17/22/818461722.db2.gz IRPDJBIXMDDUBS-UHFFFAOYSA-N 1 2 379.510 4.473 20 0 GIADLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000017744393 818526807 /nfs/dbraw/zinc/52/68/07/818526807.db2.gz OIUCZLHEOQRTSL-UHFFFAOYSA-N 1 2 377.410 4.364 20 0 GIADLO Cc1cc(Br)cc2c1[C@H]([NH2+]Cc1n[nH]cc1Br)CC2 ZINC000572459180 823343952 /nfs/dbraw/zinc/34/39/52/823343952.db2.gz SHJSCZUVRRAQLI-GFCCVEGCSA-N 1 2 385.103 4.020 20 0 GIADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(Cl)c(Cl)c1 ZINC000018179014 818554646 /nfs/dbraw/zinc/55/46/46/818554646.db2.gz PFDQMVYNTYYKPB-INIZCTEOSA-N 1 2 394.302 4.016 20 0 GIADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(Cl)c(Cl)c1 ZINC000018179014 818554654 /nfs/dbraw/zinc/55/46/54/818554654.db2.gz PFDQMVYNTYYKPB-INIZCTEOSA-N 1 2 394.302 4.016 20 0 GIADLO Cc1cc(C)n(-c2ccccc2CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000572469325 823345833 /nfs/dbraw/zinc/34/58/33/823345833.db2.gz HTERAQLWXZBYKT-OAQYLSRUSA-N 1 2 399.498 4.051 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c2cccs2)cc1 ZINC000122376576 823345955 /nfs/dbraw/zinc/34/59/55/823345955.db2.gz XYGLYDXMFVXOQF-HSZRJFAPSA-N 1 2 391.540 4.322 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c2cccs2)cc1 ZINC000122376576 823345960 /nfs/dbraw/zinc/34/59/60/823345960.db2.gz XYGLYDXMFVXOQF-HSZRJFAPSA-N 1 2 391.540 4.322 20 0 GIADLO Cc1cc(C)c(C)c(OCCC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000409939326 823348279 /nfs/dbraw/zinc/34/82/79/823348279.db2.gz VDGKNJNDKSLXMU-HXUWFJFHSA-N 1 2 396.531 4.413 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)Cc2nc3ccccc3[nH]2)CC1 ZINC000409940654 823348648 /nfs/dbraw/zinc/34/86/48/823348648.db2.gz ZBZHWVQFRONKFF-MRXNPFEDSA-N 1 2 396.560 4.099 20 0 GIADLO O=C(CSCc1ccc(Br)cc1F)Nc1cccc2[nH+]ccn21 ZINC000460325836 823354402 /nfs/dbraw/zinc/35/44/02/823354402.db2.gz AFZGPIOXRXITND-UHFFFAOYSA-N 1 2 394.269 4.108 20 0 GIADLO C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000572527510 823354556 /nfs/dbraw/zinc/35/45/56/823354556.db2.gz YVMXGAOBMMWGST-DEOSSOPVSA-N 1 2 391.490 4.237 20 0 GIADLO C[C@@H](CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccc(Br)cc1 ZINC000122456551 823357310 /nfs/dbraw/zinc/35/73/10/823357310.db2.gz VZWBYEREIVMPLN-NSHDSACASA-N 1 2 394.338 4.026 20 0 GIADLO C[C@@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccc(Br)cc1 ZINC000122456551 823357316 /nfs/dbraw/zinc/35/73/16/823357316.db2.gz VZWBYEREIVMPLN-NSHDSACASA-N 1 2 394.338 4.026 20 0 GIADLO C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000460335855 823357288 /nfs/dbraw/zinc/35/72/88/823357288.db2.gz QKEXCQHPMCKNOE-NSHDSACASA-N 1 2 376.279 4.216 20 0 GIADLO O=C(Nc1cccc2[nH+]ccn21)c1c2c(sc1-n1cccc1)CSCC2 ZINC000460340141 823358408 /nfs/dbraw/zinc/35/84/08/823358408.db2.gz HSBDSMBROIPZHX-UHFFFAOYSA-N 1 2 380.498 4.228 20 0 GIADLO Cn1c[nH+]cc1Cc1noc(C2(c3cc(C(F)(F)F)ccc3Cl)CC2)n1 ZINC000572561572 823361409 /nfs/dbraw/zinc/36/14/09/823361409.db2.gz IISANUOSWLDMGI-UHFFFAOYSA-N 1 2 382.773 4.146 20 0 GIADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000021917903 818755507 /nfs/dbraw/zinc/75/55/07/818755507.db2.gz PLOAYXANOCOVFO-GOSISDBHSA-N 1 2 381.520 4.145 20 0 GIADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000021917903 818755514 /nfs/dbraw/zinc/75/55/14/818755514.db2.gz PLOAYXANOCOVFO-GOSISDBHSA-N 1 2 381.520 4.145 20 0 GIADLO O=C(N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1)N1CCn2c[nH+]cc2C1 ZINC000460354379 823362173 /nfs/dbraw/zinc/36/21/73/823362173.db2.gz TYLLWGXGYISRQR-HXUWFJFHSA-N 1 2 386.927 4.253 20 0 GIADLO CC(C)[C@H](NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccccc1 ZINC000022063564 818769054 /nfs/dbraw/zinc/76/90/54/818769054.db2.gz BUCYRFHTYOHMAQ-UGKGYDQZSA-N 1 2 386.561 4.243 20 0 GIADLO CC(C)[C@H](NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccccc1 ZINC000022063564 818769058 /nfs/dbraw/zinc/76/90/58/818769058.db2.gz BUCYRFHTYOHMAQ-UGKGYDQZSA-N 1 2 386.561 4.243 20 0 GIADLO CCC1(CC)CCCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000189131206 823362419 /nfs/dbraw/zinc/36/24/19/823362419.db2.gz PBIRYEHKBPRUNT-UHFFFAOYSA-N 1 2 396.535 4.344 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1Br ZINC000022288990 818790235 /nfs/dbraw/zinc/79/02/35/818790235.db2.gz YUSJCWJPSYEGDD-UHFFFAOYSA-N 1 2 380.311 4.144 20 0 GIADLO Cc1cccc(OCCCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000022291514 818790609 /nfs/dbraw/zinc/79/06/09/818790609.db2.gz ZFBYPPZHZNZBEG-UHFFFAOYSA-N 1 2 387.549 4.481 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2CCC([C@H]3CCCO3)CC2)cs1)c1ccccc1 ZINC000189158815 823367186 /nfs/dbraw/zinc/36/71/86/823367186.db2.gz UCTZNXFZXPBUHY-HXUWFJFHSA-N 1 2 385.533 4.219 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000122510536 823365278 /nfs/dbraw/zinc/36/52/78/823365278.db2.gz RGSHWKFDMMQVBF-UHFFFAOYSA-N 1 2 377.492 4.074 20 0 GIADLO C[C@@H]([NH2+]Cc1noc(-c2ccc(F)cc2F)n1)c1ccccc1-n1cccn1 ZINC000189162693 823368129 /nfs/dbraw/zinc/36/81/29/823368129.db2.gz HQIRRWDPYVJUBG-CYBMUJFWSA-N 1 2 381.386 4.051 20 0 GIADLO C[C@H]([NH2+]Cc1noc(-c2ccc(F)cc2F)n1)c1cccc(-n2cccn2)c1 ZINC000189163201 823368577 /nfs/dbraw/zinc/36/85/77/823368577.db2.gz VRKWYYOSAKIOGN-ZDUSSCGKSA-N 1 2 381.386 4.051 20 0 GIADLO O=C(NC(CCc1ccccc1)CCc1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000460376082 823368727 /nfs/dbraw/zinc/36/87/27/823368727.db2.gz JXORBSWZAURFCM-UHFFFAOYSA-N 1 2 388.515 4.043 20 0 GIADLO Cc1cccc(-c2nnc([C@@H](C)N3CC[NH+](C/C=C/c4ccccc4)CC3)o2)c1 ZINC000022777649 818859618 /nfs/dbraw/zinc/85/96/18/818859618.db2.gz BORJJCDZYOOLAG-WUTDNEBXSA-N 1 2 388.515 4.437 20 0 GIADLO O=C1c2cccc3cccc(c23)N1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022815509 818863594 /nfs/dbraw/zinc/86/35/94/818863594.db2.gz JRPFMWRHTQEEJH-UHFFFAOYSA-N 1 2 391.902 4.229 20 0 GIADLO CSCc1c2ccccc2oc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000022840334 818866843 /nfs/dbraw/zinc/86/68/43/818866843.db2.gz FEVRVWOEJRKBGR-IBGZPJMESA-N 1 2 380.513 4.425 20 0 GIADLO CSCc1c2ccccc2oc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000022840334 818866850 /nfs/dbraw/zinc/86/68/50/818866850.db2.gz FEVRVWOEJRKBGR-IBGZPJMESA-N 1 2 380.513 4.425 20 0 GIADLO O=c1[nH]c(C[NH2+]C(c2ccccc2)c2ccccc2)nc2cc(Cl)ccc12 ZINC000023243165 818916659 /nfs/dbraw/zinc/91/66/59/818916659.db2.gz DRTFMNMGYOQWSC-UHFFFAOYSA-N 1 2 375.859 4.456 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3CCC(F)(F)CC3)n2)C1 ZINC000410028629 823374240 /nfs/dbraw/zinc/37/42/40/823374240.db2.gz SJYQFJURKIZCEK-ZDUSSCGKSA-N 1 2 386.512 4.322 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3CCC(F)(F)CC3)n2)C1 ZINC000410028629 823374248 /nfs/dbraw/zinc/37/42/48/823374248.db2.gz SJYQFJURKIZCEK-ZDUSSCGKSA-N 1 2 386.512 4.322 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](C)Cn2c(-c3ccccc3)csc2=S)cc1 ZINC000177130735 823378508 /nfs/dbraw/zinc/37/85/08/823378508.db2.gz JQUCCYWVZWIUQP-UHFFFAOYSA-N 1 2 383.542 4.395 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](C)Cn2c(-c3ccccc3)csc2=S)cc1 ZINC000177130735 823378509 /nfs/dbraw/zinc/37/85/09/823378509.db2.gz JQUCCYWVZWIUQP-UHFFFAOYSA-N 1 2 383.542 4.395 20 0 GIADLO O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000058285890 823375004 /nfs/dbraw/zinc/37/50/04/823375004.db2.gz OQPPLLXTCIFQQU-UHFFFAOYSA-N 1 2 396.450 4.436 20 0 GIADLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1OC ZINC000023642762 818969809 /nfs/dbraw/zinc/96/98/09/818969809.db2.gz MGBYCAJIHQOGCP-UHFFFAOYSA-N 1 2 396.531 4.175 20 0 GIADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889414 818990117 /nfs/dbraw/zinc/99/01/17/818990117.db2.gz HONJNWLNNNABEH-CYBMUJFWSA-N 1 2 386.249 4.041 20 0 GIADLO CC(C)COc1ccccc1[C@H](CC(C)C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000460407658 823379138 /nfs/dbraw/zinc/37/91/38/823379138.db2.gz UCLRYWTUVXENRO-FQEVSTJZSA-N 1 2 384.524 4.231 20 0 GIADLO Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000410046522 823379135 /nfs/dbraw/zinc/37/91/35/823379135.db2.gz LLDSVMXCEMSIQG-GOSISDBHSA-N 1 2 390.487 4.020 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000122604659 823379949 /nfs/dbraw/zinc/37/99/49/823379949.db2.gz FCQYMWBCIMGBSK-UHFFFAOYSA-N 1 2 389.455 4.371 20 0 GIADLO CCOC(=O)C1CC[NH+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000177152616 823384819 /nfs/dbraw/zinc/38/48/19/823384819.db2.gz KTFNHANXPWHEHL-FQEVSTJZSA-N 1 2 391.471 4.101 20 0 GIADLO Clc1sc(CNc2ccc(N3CCOCC3)c[nH+]2)cc1Br ZINC000191522464 823694928 /nfs/dbraw/zinc/69/49/28/823694928.db2.gz DRWKDCCYQMOYCP-UHFFFAOYSA-N 1 2 388.718 4.008 20 0 GIADLO CC1CCN(C(=O)C2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)CC1 ZINC000058396392 823385533 /nfs/dbraw/zinc/38/55/33/823385533.db2.gz UASWSVGUAAVIMK-UHFFFAOYSA-N 1 2 375.582 4.271 20 0 GIADLO O=C(CC[C@H]1CCOC1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000177165865 823388976 /nfs/dbraw/zinc/38/89/76/823388976.db2.gz XMPJQVHZRLBSIZ-FQEVSTJZSA-N 1 2 389.499 4.031 20 0 GIADLO OC1CCN(c2[nH+]cccc2NCc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189361268 823401107 /nfs/dbraw/zinc/40/11/07/823401107.db2.gz CJIBDLVGCCTOHM-UHFFFAOYSA-N 1 2 385.817 4.327 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)c2nc(-c3ccncc3)nc3ccccc32)c1C ZINC000058544865 823407063 /nfs/dbraw/zinc/40/70/63/823407063.db2.gz SQKHXSRLUSEFKZ-UHFFFAOYSA-N 1 2 385.471 4.349 20 0 GIADLO CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1C ZINC000058581338 823412502 /nfs/dbraw/zinc/41/25/02/823412502.db2.gz MODZSXMKXKFLGJ-CQSZACIVSA-N 1 2 378.519 4.070 20 0 GIADLO CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1C ZINC000058581338 823412507 /nfs/dbraw/zinc/41/25/07/823412507.db2.gz MODZSXMKXKFLGJ-CQSZACIVSA-N 1 2 378.519 4.070 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000122815843 823417344 /nfs/dbraw/zinc/41/73/44/823417344.db2.gz UBNJLRAMWWNRJG-UWJYYQICSA-N 1 2 393.462 4.325 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c1C ZINC000058616977 823417573 /nfs/dbraw/zinc/41/75/73/823417573.db2.gz LNJDTKKSEYOASO-UHFFFAOYSA-N 1 2 398.507 4.356 20 0 GIADLO C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccccc1-c1ccc(Cl)cc1 ZINC000460533802 823422640 /nfs/dbraw/zinc/42/26/40/823422640.db2.gz YMDRUOWDBTXTGY-OAHLLOKOSA-N 1 2 380.879 4.490 20 0 GIADLO COc1ccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c(C(F)(F)F)c1 ZINC000058628150 823419576 /nfs/dbraw/zinc/41/95/76/823419576.db2.gz SIERJBFUUSMOPB-UHFFFAOYSA-N 1 2 397.397 4.398 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(N3CCCC3)c(F)c2)c1C ZINC000058632258 823420188 /nfs/dbraw/zinc/42/01/88/823420188.db2.gz PBVQLAFZYCJRTJ-UHFFFAOYSA-N 1 2 386.471 4.110 20 0 GIADLO CSc1ccc([C@H](C)NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000410235196 823429077 /nfs/dbraw/zinc/42/90/77/823429077.db2.gz GIBRAEAKRJUUSB-JXFKEZNVSA-N 1 2 386.586 4.376 20 0 GIADLO COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(Cn3cc[nH+]c3)c1)[C@@H]2C ZINC000573004478 823432349 /nfs/dbraw/zinc/43/23/49/823432349.db2.gz DTYIOYIHQDDGEU-DLBZAZTESA-N 1 2 375.472 4.088 20 0 GIADLO Cc1cc2c(ncnc2N2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)s1 ZINC000189513584 823434813 /nfs/dbraw/zinc/43/48/13/823434813.db2.gz IHDAHCNFSVVUGK-AWEZNQCLSA-N 1 2 379.489 4.024 20 0 GIADLO CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1cccs1 ZINC000024740387 819871159 /nfs/dbraw/zinc/87/11/59/819871159.db2.gz YGTIRJAWKVRRKP-QGZVFWFLSA-N 1 2 383.473 4.134 20 0 GIADLO CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1cccs1 ZINC000024740387 819871166 /nfs/dbraw/zinc/87/11/66/819871166.db2.gz YGTIRJAWKVRRKP-QGZVFWFLSA-N 1 2 383.473 4.134 20 0 GIADLO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000024747393 819872160 /nfs/dbraw/zinc/87/21/60/819872160.db2.gz YHNFMEKYQWJXPB-UHFFFAOYSA-N 1 2 398.454 4.350 20 0 GIADLO Cc1nc(-c2cccs2)sc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024750002 819872973 /nfs/dbraw/zinc/87/29/73/819872973.db2.gz WJZBVPGZQZMCLI-UHFFFAOYSA-N 1 2 394.525 4.355 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC2CCCC2)cc1 ZINC000024752860 819873286 /nfs/dbraw/zinc/87/32/86/819873286.db2.gz PEOXUTXTYBHKHS-UHFFFAOYSA-N 1 2 375.472 4.183 20 0 GIADLO Cn1c(=S)n(C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)nc1C1CC1 ZINC000024751400 819873502 /nfs/dbraw/zinc/87/35/02/819873502.db2.gz XENUBFJIBWBMNG-FQEVSTJZSA-N 1 2 376.529 4.434 20 0 GIADLO Cn1c(=S)n(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)nc1C1CC1 ZINC000024751400 819873506 /nfs/dbraw/zinc/87/35/06/819873506.db2.gz XENUBFJIBWBMNG-FQEVSTJZSA-N 1 2 376.529 4.434 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(-c2ccccc2Cl)on1 ZINC000024752949 819874214 /nfs/dbraw/zinc/87/42/14/819874214.db2.gz NFUWPFYLJJFZCC-UHFFFAOYSA-N 1 2 392.846 4.170 20 0 GIADLO Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H](C)CO2)c1 ZINC000460565301 823435114 /nfs/dbraw/zinc/43/51/14/823435114.db2.gz OBDSVTATDRJXOQ-AVRDEDQJSA-N 1 2 375.472 4.091 20 0 GIADLO C[C@@H](Sc1ccccc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000024886785 819888838 /nfs/dbraw/zinc/88/88/38/819888838.db2.gz XOKGRDXCVZZQHS-HUUCEWRRSA-N 1 2 375.563 4.494 20 0 GIADLO C[C@@H](Sc1ccccc1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000024886785 819888846 /nfs/dbraw/zinc/88/88/46/819888846.db2.gz XOKGRDXCVZZQHS-HUUCEWRRSA-N 1 2 375.563 4.494 20 0 GIADLO O=C(N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1(Cc2cccc(F)c2)CCC1 ZINC000410257198 823436691 /nfs/dbraw/zinc/43/66/91/823436691.db2.gz QUZOKRWJKDMYQI-IBGZPJMESA-N 1 2 395.522 4.478 20 0 GIADLO O=C(COc1ccc2ccccc2c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410263057 823439248 /nfs/dbraw/zinc/43/92/48/823439248.db2.gz HCZSRDXKUBPYSR-FQEVSTJZSA-N 1 2 389.499 4.158 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C2CC2)cc1 ZINC000025195793 819942112 /nfs/dbraw/zinc/94/21/12/819942112.db2.gz YBIHFJPDQZGNMW-UHFFFAOYSA-N 1 2 379.435 4.005 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C2CC2)cc1 ZINC000025195793 819942117 /nfs/dbraw/zinc/94/21/17/819942117.db2.gz YBIHFJPDQZGNMW-UHFFFAOYSA-N 1 2 379.435 4.005 20 0 GIADLO C[C@@]1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCc2ccccc2C1 ZINC000410267898 823441651 /nfs/dbraw/zinc/44/16/51/823441651.db2.gz IJKBIPQDDRNZAH-HYBUGGRVSA-N 1 2 377.532 4.121 20 0 GIADLO O=C(CCc1nc2ccccc2s1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000025460189 819984966 /nfs/dbraw/zinc/98/49/66/819984966.db2.gz QYZYYQFBBVNZJT-RMKNXTFCSA-N 1 2 391.540 4.087 20 0 GIADLO CCSc1ccc(CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410272519 823443788 /nfs/dbraw/zinc/44/37/88/823443788.db2.gz MBQXCTIPYWRRKY-GOSISDBHSA-N 1 2 383.561 4.280 20 0 GIADLO O=C(N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1(c2cccc(F)c2)CCC1 ZINC000410273857 823444130 /nfs/dbraw/zinc/44/41/30/823444130.db2.gz ANSNIVHULRBISI-QGZVFWFLSA-N 1 2 381.495 4.186 20 0 GIADLO O=C(N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1(c2cccc(F)c2)CCC1 ZINC000410273856 823444164 /nfs/dbraw/zinc/44/41/64/823444164.db2.gz ANSNIVHULRBISI-KRWDZBQOSA-N 1 2 381.495 4.186 20 0 GIADLO O=C(CCc1ccc(F)cc1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000025722734 820018974 /nfs/dbraw/zinc/01/89/74/820018974.db2.gz ILYPWDMVIRVCNU-UHFFFAOYSA-N 1 2 395.503 4.412 20 0 GIADLO O=C(CCc1ccc(F)cc1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000025722734 820018986 /nfs/dbraw/zinc/01/89/86/820018986.db2.gz ILYPWDMVIRVCNU-UHFFFAOYSA-N 1 2 395.503 4.412 20 0 GIADLO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410278400 823445737 /nfs/dbraw/zinc/44/57/37/823445737.db2.gz HZVOSHHBEWDKNO-JYRKZWEQSA-N 1 2 387.568 4.299 20 0 GIADLO CC[N@H+](C)[C@@H](c1nc([C@@H](NC(=O)c2ccccc2)C(C)C)no1)c1ccccc1 ZINC000573097992 823447154 /nfs/dbraw/zinc/44/71/54/823447154.db2.gz SEKBIBNOAKFVQS-VQTJNVASSA-N 1 2 392.503 4.238 20 0 GIADLO CC[N@@H+](C)[C@@H](c1nc([C@@H](NC(=O)c2ccccc2)C(C)C)no1)c1ccccc1 ZINC000573097992 823447157 /nfs/dbraw/zinc/44/71/57/823447157.db2.gz SEKBIBNOAKFVQS-VQTJNVASSA-N 1 2 392.503 4.238 20 0 GIADLO C[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)s1 ZINC000410283624 823447945 /nfs/dbraw/zinc/44/79/45/823447945.db2.gz SYYCTSZVFTXUKH-KBPBESRZSA-N 1 2 377.941 4.444 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C)cc3)o2)c1 ZINC000025926910 820040595 /nfs/dbraw/zinc/04/05/95/820040595.db2.gz RDFNNBOZDRSLFR-IBGZPJMESA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C)cc3)o2)c1 ZINC000025926910 820040603 /nfs/dbraw/zinc/04/06/03/820040603.db2.gz RDFNNBOZDRSLFR-IBGZPJMESA-N 1 2 379.460 4.399 20 0 GIADLO Cc1ccc(-c2nnc(C[N@@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000025936892 820042281 /nfs/dbraw/zinc/04/22/81/820042281.db2.gz RAYLHTOKPFWUKF-UHFFFAOYSA-N 1 2 396.922 4.406 20 0 GIADLO Cc1ccc(-c2nnc(C[N@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000025936892 820042293 /nfs/dbraw/zinc/04/22/93/820042293.db2.gz RAYLHTOKPFWUKF-UHFFFAOYSA-N 1 2 396.922 4.406 20 0 GIADLO COC[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1cccc(Cl)c1F ZINC000573102237 823448164 /nfs/dbraw/zinc/44/81/64/823448164.db2.gz LFXIRIPZDOOPRO-CQSZACIVSA-N 1 2 392.780 4.293 20 0 GIADLO CC(C)(C)c1ccc(CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410288164 823450420 /nfs/dbraw/zinc/45/04/20/823450420.db2.gz GCELHNCROQZSCL-LJQANCHMSA-N 1 2 379.548 4.466 20 0 GIADLO O=C(COc1cccc2ccccc21)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410288968 823450772 /nfs/dbraw/zinc/45/07/72/823450772.db2.gz HZTBPFAGBVATOQ-IBGZPJMESA-N 1 2 389.499 4.158 20 0 GIADLO COc1cc(Br)c(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c(OC)c1 ZINC000189583697 823451880 /nfs/dbraw/zinc/45/18/80/823451880.db2.gz DHERTCFWWDTYKQ-MRXNPFEDSA-N 1 2 396.256 4.219 20 0 GIADLO O=C(C[N@H+](Cc1cccc(Br)c1)C1CC1)Nc1c(F)cccc1F ZINC000026446150 820097251 /nfs/dbraw/zinc/09/72/51/820097251.db2.gz RXPKXOQMJGPSGN-UHFFFAOYSA-N 1 2 395.247 4.330 20 0 GIADLO O=C(C[N@@H+](Cc1cccc(Br)c1)C1CC1)Nc1c(F)cccc1F ZINC000026446150 820097260 /nfs/dbraw/zinc/09/72/60/820097260.db2.gz RXPKXOQMJGPSGN-UHFFFAOYSA-N 1 2 395.247 4.330 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2C)cc1OC(F)F ZINC000026452401 820099003 /nfs/dbraw/zinc/09/90/03/820099003.db2.gz OEXULQANYOCFAL-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)cc1OC(F)F ZINC000026452401 820099008 /nfs/dbraw/zinc/09/90/08/820099008.db2.gz OEXULQANYOCFAL-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccccc2C)ccc1OC(F)F ZINC000026454126 820100401 /nfs/dbraw/zinc/10/04/01/820100401.db2.gz LZQVDEFFLNSAKW-UHFFFAOYSA-N 1 2 378.419 4.066 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2C)ccc1OC(F)F ZINC000026454126 820100406 /nfs/dbraw/zinc/10/04/06/820100406.db2.gz LZQVDEFFLNSAKW-UHFFFAOYSA-N 1 2 378.419 4.066 20 0 GIADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)NCC1(c2ccccc2)CCCC1 ZINC000026476167 820102359 /nfs/dbraw/zinc/10/23/59/820102359.db2.gz HLZCJZMPBMMWGB-VWLOTQADSA-N 1 2 399.538 4.389 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N3c4ccccc4C[C@@H]3C)CC2)c(C)c1 ZINC000026638771 820125475 /nfs/dbraw/zinc/12/54/75/820125475.db2.gz UDBFIMCHBSABKA-IBGZPJMESA-N 1 2 390.527 4.176 20 0 GIADLO Cc1nc(-c2ccc(CNc3nc(NCCO)c4ccccc4[nH+]3)s2)cs1 ZINC000026697029 820133304 /nfs/dbraw/zinc/13/33/04/820133304.db2.gz JVHFDXAEFSODCU-UHFFFAOYSA-N 1 2 397.529 4.140 20 0 GIADLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000026777103 820142896 /nfs/dbraw/zinc/14/28/96/820142896.db2.gz LELKIMGUCDPKRY-ZDUSSCGKSA-N 1 2 382.851 4.186 20 0 GIADLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Br)cc1 ZINC000410311186 823459779 /nfs/dbraw/zinc/45/97/79/823459779.db2.gz ZHQLIDCUFYRYRB-UHFFFAOYSA-N 1 2 384.277 4.361 20 0 GIADLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000177416744 823457553 /nfs/dbraw/zinc/45/75/53/823457553.db2.gz HKDUWIASXYPQBM-DJJJIMSYSA-N 1 2 386.398 4.260 20 0 GIADLO O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410307967 823458420 /nfs/dbraw/zinc/45/84/20/823458420.db2.gz MSWBLOUZEDSYPQ-JTJYXVOQSA-N 1 2 389.543 4.220 20 0 GIADLO Clc1cc(Br)ccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000177449508 823464858 /nfs/dbraw/zinc/46/48/58/823464858.db2.gz QJYFCYUATONFEI-INIZCTEOSA-N 1 2 388.733 4.263 20 0 GIADLO C[C@H](SCc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410317615 823461396 /nfs/dbraw/zinc/46/13/96/823461396.db2.gz LOBSXKWQMABGMC-SFHVURJKSA-N 1 2 383.561 4.400 20 0 GIADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000027558120 820259596 /nfs/dbraw/zinc/25/95/96/820259596.db2.gz LDQQVYCOHHMZGS-HNAYVOBHSA-N 1 2 395.434 4.382 20 0 GIADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000027558120 820259602 /nfs/dbraw/zinc/25/96/02/820259602.db2.gz LDQQVYCOHHMZGS-HNAYVOBHSA-N 1 2 395.434 4.382 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(C(=O)OC)c1 ZINC000027563673 820260036 /nfs/dbraw/zinc/26/00/36/820260036.db2.gz YXCOYQGAKIWCPO-UHFFFAOYSA-N 1 2 395.286 4.241 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(C(=O)OC)c1 ZINC000027563673 820260040 /nfs/dbraw/zinc/26/00/40/820260040.db2.gz YXCOYQGAKIWCPO-UHFFFAOYSA-N 1 2 395.286 4.241 20 0 GIADLO Cc1cc(C)cc(CS(=O)(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000410337350 823466985 /nfs/dbraw/zinc/46/69/85/823466985.db2.gz AIZHJJWLHYJPJS-UHFFFAOYSA-N 1 2 393.512 4.161 20 0 GIADLO C[C@@H]1CCN(C(=O)CCCOc2cccc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000123128280 823467016 /nfs/dbraw/zinc/46/70/16/823467016.db2.gz CGLJOXAVICZQDK-NQIIRXRSSA-N 1 2 377.488 4.305 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000027879938 820293002 /nfs/dbraw/zinc/29/30/02/820293002.db2.gz MSWSGBKMDOSYHI-LJQANCHMSA-N 1 2 379.548 4.269 20 0 GIADLO O=C(CCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000028086517 820310403 /nfs/dbraw/zinc/31/04/03/820310403.db2.gz PYJTXQYTVGHHAH-UHFFFAOYSA-N 1 2 386.495 4.147 20 0 GIADLO COc1cccc(Cn2c3ccccc3[nH+]c2NCc2csc(C3CC3)n2)c1 ZINC000460660883 823469611 /nfs/dbraw/zinc/46/96/11/823469611.db2.gz HVEMVDOESZHZAJ-UHFFFAOYSA-N 1 2 390.512 4.461 20 0 GIADLO Cc1nc2ccc(-c3nc([C@@H]4C[N@H+](Cc5ccccc5)CCO4)no3)cc2s1 ZINC000573245399 823469790 /nfs/dbraw/zinc/46/97/90/823469790.db2.gz CFZWQUIRDYCJHX-SFHVURJKSA-N 1 2 392.484 4.228 20 0 GIADLO Cc1nc2ccc(-c3nc([C@@H]4C[N@@H+](Cc5ccccc5)CCO4)no3)cc2s1 ZINC000573245399 823469794 /nfs/dbraw/zinc/46/97/94/823469794.db2.gz CFZWQUIRDYCJHX-SFHVURJKSA-N 1 2 392.484 4.228 20 0 GIADLO CNC(=O)c1cccc(C[NH2+][C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 ZINC000028374864 820330566 /nfs/dbraw/zinc/33/05/66/820330566.db2.gz UBYDWCUTFVIIBU-QHCPKHFHSA-N 1 2 397.478 4.241 20 0 GIADLO CCn1c2ccccc2[nH+]c1NCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000460668827 823472240 /nfs/dbraw/zinc/47/22/40/823472240.db2.gz LKADGTNZZFNKAX-UHFFFAOYSA-N 1 2 388.471 4.073 20 0 GIADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000028649716 820347208 /nfs/dbraw/zinc/34/72/08/820347208.db2.gz IXWHVJSGPVUKMC-HNNXBMFYSA-N 1 2 385.920 4.382 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccc(Cl)cc3)n2)C1 ZINC000028683163 820350766 /nfs/dbraw/zinc/35/07/66/820350766.db2.gz ANPVICARJARGOP-CYBMUJFWSA-N 1 2 379.913 4.046 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccc(Cl)cc3)n2)C1 ZINC000028683163 820350773 /nfs/dbraw/zinc/35/07/73/820350773.db2.gz ANPVICARJARGOP-CYBMUJFWSA-N 1 2 379.913 4.046 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCc3nc4ccccc4o3)n2)C1 ZINC000028683774 820350931 /nfs/dbraw/zinc/35/09/31/820350931.db2.gz GANAKHHJLDWOFW-CQSZACIVSA-N 1 2 384.505 4.088 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCc3nc4ccccc4o3)n2)C1 ZINC000028683774 820350942 /nfs/dbraw/zinc/35/09/42/820350942.db2.gz GANAKHHJLDWOFW-CQSZACIVSA-N 1 2 384.505 4.088 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(-n4cccc4)c3)n2)C1 ZINC000028684167 820351056 /nfs/dbraw/zinc/35/10/56/820351056.db2.gz RPHAAPRCJIPLLD-INIZCTEOSA-N 1 2 380.517 4.418 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(-n4cccc4)c3)n2)C1 ZINC000028684167 820351065 /nfs/dbraw/zinc/35/10/65/820351065.db2.gz RPHAAPRCJIPLLD-INIZCTEOSA-N 1 2 380.517 4.418 20 0 GIADLO COC(=O)c1cc(C[N@H+](C)Cn2c3ccc(Cl)cc3oc2=S)oc1C ZINC000028815118 820360381 /nfs/dbraw/zinc/36/03/81/820360381.db2.gz MBKUBQQKEFDLPB-UHFFFAOYSA-N 1 2 380.853 4.395 20 0 GIADLO COC(=O)c1cc(C[N@@H+](C)Cn2c3ccc(Cl)cc3oc2=S)oc1C ZINC000028815118 820360390 /nfs/dbraw/zinc/36/03/90/820360390.db2.gz MBKUBQQKEFDLPB-UHFFFAOYSA-N 1 2 380.853 4.395 20 0 GIADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC000028927735 820374547 /nfs/dbraw/zinc/37/45/47/820374547.db2.gz YCKIUYABFJVVIR-SFHVURJKSA-N 1 2 396.487 4.001 20 0 GIADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC000028927735 820374558 /nfs/dbraw/zinc/37/45/58/820374558.db2.gz YCKIUYABFJVVIR-SFHVURJKSA-N 1 2 396.487 4.001 20 0 GIADLO O=C(CCCc1ccccc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000058947910 823474310 /nfs/dbraw/zinc/47/43/10/823474310.db2.gz XHKAZBWYRVVRFO-UHFFFAOYSA-N 1 2 390.449 4.373 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)n2)C1 ZINC000028931326 820375191 /nfs/dbraw/zinc/37/51/91/820375191.db2.gz ZNUWDVFOOAJGGN-ZDUSSCGKSA-N 1 2 399.495 4.157 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)n2)C1 ZINC000028931326 820375199 /nfs/dbraw/zinc/37/51/99/820375199.db2.gz ZNUWDVFOOAJGGN-ZDUSSCGKSA-N 1 2 399.495 4.157 20 0 GIADLO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000028930896 820375336 /nfs/dbraw/zinc/37/53/36/820375336.db2.gz WEDIAKCKZGCDPO-UHFFFAOYSA-N 1 2 397.700 4.182 20 0 GIADLO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000028930896 820375346 /nfs/dbraw/zinc/37/53/46/820375346.db2.gz WEDIAKCKZGCDPO-UHFFFAOYSA-N 1 2 397.700 4.182 20 0 GIADLO O=C(Nc1ccccc1F)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000028989317 820380424 /nfs/dbraw/zinc/38/04/24/820380424.db2.gz ORRNBGKUINQATI-UHFFFAOYSA-N 1 2 397.372 4.074 20 0 GIADLO C[N@@H+]1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)[C@H](c2ccccc2)C1 ZINC000029091623 820391696 /nfs/dbraw/zinc/39/16/96/820391696.db2.gz CDLFRYZSQUVYCY-IBGZPJMESA-N 1 2 381.863 4.124 20 0 GIADLO C[N@H+]1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)[C@H](c2ccccc2)C1 ZINC000029091623 820391707 /nfs/dbraw/zinc/39/17/07/820391707.db2.gz CDLFRYZSQUVYCY-IBGZPJMESA-N 1 2 381.863 4.124 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Sc2ccccc2Cl)c1C ZINC000058956804 823475702 /nfs/dbraw/zinc/47/57/02/823475702.db2.gz UGDQVLJBCLNHSC-CQSZACIVSA-N 1 2 378.925 4.500 20 0 GIADLO CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1C ZINC000058956962 823476079 /nfs/dbraw/zinc/47/60/79/823476079.db2.gz NJWJYGMMCNUVOT-JAIQZWGSSA-N 1 2 394.519 4.101 20 0 GIADLO O=C(CCC(=O)c1ccc2ccccc2c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029558361 820475898 /nfs/dbraw/zinc/47/58/98/820475898.db2.gz VTVUDUNVYXKVBN-UHFFFAOYSA-N 1 2 387.483 4.114 20 0 GIADLO O=C(CCCCc1nc2ccccc2s1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029555463 820475937 /nfs/dbraw/zinc/47/59/37/820475937.db2.gz RKJSEHVWJQPHKM-UHFFFAOYSA-N 1 2 394.544 4.321 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000573338925 823481845 /nfs/dbraw/zinc/48/18/45/823481845.db2.gz LTRFTJGQUKSPMH-AEFFLSMTSA-N 1 2 386.927 4.351 20 0 GIADLO Cc1c(C)n(C2CCCCC2)c(=S)n1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000029582901 820479231 /nfs/dbraw/zinc/47/92/31/820479231.db2.gz SXMBYRHWYBUEBC-UHFFFAOYSA-N 1 2 390.597 4.089 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(Cl)nc2ccccc21 ZINC000029668427 820495574 /nfs/dbraw/zinc/49/55/74/820495574.db2.gz QLVBAXXJAQPORO-UHFFFAOYSA-N 1 2 376.847 4.063 20 0 GIADLO CC[C@H](C)c1ccccc1OCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029669349 820495699 /nfs/dbraw/zinc/49/56/99/820495699.db2.gz GOXVBGIFTYJSDM-SFHVURJKSA-N 1 2 377.488 4.140 20 0 GIADLO Cc1ccccc1NC(=O)[C@H](C)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000029686331 820497829 /nfs/dbraw/zinc/49/78/29/820497829.db2.gz RKXQBNIVUDOYLS-MSOLQXFVSA-N 1 2 385.939 4.354 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(-c2ccc(F)cc2)no1 ZINC000029698058 820500336 /nfs/dbraw/zinc/50/03/36/820500336.db2.gz PZSWOSYNZWEHQR-UHFFFAOYSA-N 1 2 397.450 4.340 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(-c2ccc(F)cc2)no1 ZINC000029698058 820500338 /nfs/dbraw/zinc/50/03/38/820500338.db2.gz PZSWOSYNZWEHQR-UHFFFAOYSA-N 1 2 397.450 4.340 20 0 GIADLO Fc1ccc([C@H]2C[C@@H]2c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)c(F)c1 ZINC000573363345 823484725 /nfs/dbraw/zinc/48/47/25/823484725.db2.gz GQBJCDMSJNPNIT-MOPGFXCFSA-N 1 2 397.425 4.118 20 0 GIADLO CSCC[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1nnc2ccccn21 ZINC000123255671 823486287 /nfs/dbraw/zinc/48/62/87/823486287.db2.gz YTOOGKWQWXIRNV-AWEZNQCLSA-N 1 2 398.504 4.362 20 0 GIADLO C[C@H]1CCN(C(=O)c2csc(-c3c(F)cccc3F)n2)C[C@H]1n1cc[nH+]c1 ZINC000177541967 823486652 /nfs/dbraw/zinc/48/66/52/823486652.db2.gz UNUYYPFLVNVNOR-BLLLJJGKSA-N 1 2 388.443 4.008 20 0 GIADLO FC(F)Sc1nc2ccccc2n1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029893170 820541757 /nfs/dbraw/zinc/54/17/57/820541757.db2.gz ZUKWFQZSRHIJHL-KRWDZBQOSA-N 1 2 375.444 4.382 20 0 GIADLO FC(F)Sc1nc2ccccc2n1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029893170 820541765 /nfs/dbraw/zinc/54/17/65/820541765.db2.gz ZUKWFQZSRHIJHL-KRWDZBQOSA-N 1 2 375.444 4.382 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2cc1C ZINC000030004428 820566674 /nfs/dbraw/zinc/56/66/74/820566674.db2.gz HKHXVHSYPHXQNE-INIZCTEOSA-N 1 2 399.512 4.006 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2cc1C ZINC000030004428 820566678 /nfs/dbraw/zinc/56/66/78/820566678.db2.gz HKHXVHSYPHXQNE-INIZCTEOSA-N 1 2 399.512 4.006 20 0 GIADLO C[N@@H+]1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)[C@@H](c2ccccc2)C1 ZINC000030030430 820571890 /nfs/dbraw/zinc/57/18/90/820571890.db2.gz ODZXYCUIVKDTCC-LJQANCHMSA-N 1 2 390.508 4.436 20 0 GIADLO C[N@H+]1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)[C@@H](c2ccccc2)C1 ZINC000030030430 820571898 /nfs/dbraw/zinc/57/18/98/820571898.db2.gz ODZXYCUIVKDTCC-LJQANCHMSA-N 1 2 390.508 4.436 20 0 GIADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)o1 ZINC000030181944 820585145 /nfs/dbraw/zinc/58/51/45/820585145.db2.gz UTVUEDMNEUVRGZ-UHFFFAOYSA-N 1 2 384.476 4.414 20 0 GIADLO COC[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)c1ccco1 ZINC000177573638 823494315 /nfs/dbraw/zinc/49/43/15/823494315.db2.gz FNXLTKLETSFKQJ-FQEVSTJZSA-N 1 2 380.444 4.018 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1(c2cccc(F)c2)CCCC1 ZINC000030216851 820588362 /nfs/dbraw/zinc/58/83/62/820588362.db2.gz GSJWTCQCUNTVKI-UHFFFAOYSA-N 1 2 377.463 4.199 20 0 GIADLO COc1ccc(-c2cc(C[N@H+](C)Cc3ccc(Br)o3)on2)cc1 ZINC000030216952 820588446 /nfs/dbraw/zinc/58/84/46/820588446.db2.gz VLLXZEVSAKJATH-UHFFFAOYSA-N 1 2 377.238 4.338 20 0 GIADLO COc1ccc(-c2cc(C[N@@H+](C)Cc3ccc(Br)o3)on2)cc1 ZINC000030216952 820588450 /nfs/dbraw/zinc/58/84/50/820588450.db2.gz VLLXZEVSAKJATH-UHFFFAOYSA-N 1 2 377.238 4.338 20 0 GIADLO CCCc1ccc(C(=O)CCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030220340 820588941 /nfs/dbraw/zinc/58/89/41/820588941.db2.gz BJPXTRRHGHVVKZ-UHFFFAOYSA-N 1 2 389.499 4.163 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000030223907 820589808 /nfs/dbraw/zinc/58/98/08/820589808.db2.gz FYECBPPUSWVTQD-OAHLLOKOSA-N 1 2 394.924 4.367 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000030223907 820589813 /nfs/dbraw/zinc/58/98/13/820589813.db2.gz FYECBPPUSWVTQD-OAHLLOKOSA-N 1 2 394.924 4.367 20 0 GIADLO Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1NC(=O)OC(C)(C)C ZINC000123313706 823495004 /nfs/dbraw/zinc/49/50/04/823495004.db2.gz ZJXSJEXALAIVJR-APWZRJJASA-N 1 2 398.507 4.262 20 0 GIADLO COc1cccc([C@@H]([NH2+]Cc2cnn3ccccc23)c2cc(F)ccc2OC)c1 ZINC000177563605 823492157 /nfs/dbraw/zinc/49/21/57/823492157.db2.gz ZAUXSNMFGRXVBS-HSZRJFAPSA-N 1 2 391.446 4.370 20 0 GIADLO O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030567598 820642081 /nfs/dbraw/zinc/64/20/81/820642081.db2.gz YUXJDEKJVWIXHZ-UHFFFAOYSA-N 1 2 398.470 4.110 20 0 GIADLO COc1ccccc1C[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)C1CC1 ZINC000059406891 823495623 /nfs/dbraw/zinc/49/56/23/823495623.db2.gz BMVKHWLQDQBMFH-UHFFFAOYSA-N 1 2 388.895 4.269 20 0 GIADLO COc1ccccc1C[N@@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)C1CC1 ZINC000059406891 823495625 /nfs/dbraw/zinc/49/56/25/823495625.db2.gz BMVKHWLQDQBMFH-UHFFFAOYSA-N 1 2 388.895 4.269 20 0 GIADLO Cc1cc(OCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1C(C)C ZINC000030656492 820659120 /nfs/dbraw/zinc/65/91/20/820659120.db2.gz ILZGSQZLFYWWGE-UHFFFAOYSA-N 1 2 377.488 4.058 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000410496893 823499726 /nfs/dbraw/zinc/49/97/26/823499726.db2.gz HLRMYMXZMXIMFJ-FGZHOGPDSA-N 1 2 378.516 4.350 20 0 GIADLO COc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(C)c1 ZINC000460740364 823501241 /nfs/dbraw/zinc/50/12/41/823501241.db2.gz XZEOATGCHAZVKC-IBGZPJMESA-N 1 2 390.886 4.363 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3ccc(CC(C)C)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000031493787 820817797 /nfs/dbraw/zinc/81/77/97/820817797.db2.gz BDIOTUISDVGQMD-UHFFFAOYSA-N 1 2 380.536 4.069 20 0 GIADLO Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ncc(C(C)(C)C)o3)CC2)s1 ZINC000177665762 823510571 /nfs/dbraw/zinc/51/05/71/823510571.db2.gz DGWDETPNKMIHAD-AWEZNQCLSA-N 1 2 375.538 4.297 20 0 GIADLO COCc1ccccc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000031875181 820868845 /nfs/dbraw/zinc/86/88/45/820868845.db2.gz RAZKROWNIXYRFL-UHFFFAOYSA-N 1 2 393.512 4.100 20 0 GIADLO COCc1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000031875181 820868853 /nfs/dbraw/zinc/86/88/53/820868853.db2.gz RAZKROWNIXYRFL-UHFFFAOYSA-N 1 2 393.512 4.100 20 0 GIADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccnc(Cl)c1 ZINC000031891048 820870487 /nfs/dbraw/zinc/87/04/87/820870487.db2.gz CNOZYEOAOWDGTE-OAHLLOKOSA-N 1 2 382.266 4.094 20 0 GIADLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)n1 ZINC000032001263 820887961 /nfs/dbraw/zinc/88/79/61/820887961.db2.gz IBHWJNHVYPJGTD-UHFFFAOYSA-N 1 2 395.503 4.216 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1cccc(Br)c1)C1CC1 ZINC000032079463 820894801 /nfs/dbraw/zinc/89/48/01/820894801.db2.gz KLJCLXUPBHDANL-UHFFFAOYSA-N 1 2 396.288 4.440 20 0 GIADLO CCC(CC)[C@@H](C(=O)N[C@H]1CCSc2ccc(Cl)cc21)[NH+]1CCOCC1 ZINC000460790195 823513095 /nfs/dbraw/zinc/51/30/95/823513095.db2.gz LMGXYBOXRSAWSN-HKUYNNGSSA-N 1 2 396.984 4.130 20 0 GIADLO COc1cccc(CNC(=O)C[NH+](Cc2cccs2)Cc2cccs2)c1 ZINC000032775795 821006809 /nfs/dbraw/zinc/00/68/09/821006809.db2.gz SDNHCRCEPWPDRM-UHFFFAOYSA-N 1 2 386.542 4.137 20 0 GIADLO Cc1nc2ccccc2n1CCc1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000460819622 823521577 /nfs/dbraw/zinc/52/15/77/823521577.db2.gz ZNBMWMFYTOQXRQ-DHZHZOJOSA-N 1 2 396.454 4.327 20 0 GIADLO C[C@@H]1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000123630801 823527703 /nfs/dbraw/zinc/52/77/03/823527703.db2.gz WYKNDLRTYKMBGG-DYVFJYSZSA-N 1 2 386.908 4.383 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cccc(Br)c1 ZINC000033280224 821055035 /nfs/dbraw/zinc/05/50/35/821055035.db2.gz CYWQCQAKTORIBL-UHFFFAOYSA-N 1 2 389.297 4.156 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(OC)cc1 ZINC000060442261 823528150 /nfs/dbraw/zinc/52/81/50/823528150.db2.gz PDHLYNOVTVYQOZ-UHFFFAOYSA-N 1 2 393.487 4.023 20 0 GIADLO FC(F)(F)c1cccc(N2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)c1 ZINC000038389905 821095892 /nfs/dbraw/zinc/09/58/92/821095892.db2.gz YJDUOLCNCRWTDM-UHFFFAOYSA-N 1 2 386.421 4.418 20 0 GIADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 ZINC000038694976 821099195 /nfs/dbraw/zinc/09/91/95/821099195.db2.gz PHIDLXCEKZPMEY-UHFFFAOYSA-N 1 2 378.447 4.352 20 0 GIADLO CC(C)(C)c1ccc(SCC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000060426303 823525950 /nfs/dbraw/zinc/52/59/50/823525950.db2.gz WSLPEZVDWHSRGG-UHFFFAOYSA-N 1 2 383.561 4.256 20 0 GIADLO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000177845415 823535390 /nfs/dbraw/zinc/53/53/90/823535390.db2.gz RIBJRVGPQZWWIO-QUCCMNQESA-N 1 2 390.487 4.372 20 0 GIADLO Cc1ccc(C)c(N2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC000040945537 821166363 /nfs/dbraw/zinc/16/63/63/821166363.db2.gz IARHEPXSAHJNQP-UHFFFAOYSA-N 1 2 382.895 4.329 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCSc4ccccc43)CC2)c1 ZINC000460879417 823534860 /nfs/dbraw/zinc/53/48/60/823534860.db2.gz XHLXRYUPMIYHRL-LAUBAEHRSA-N 1 2 396.556 4.180 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cncc(-c2ccccc2)c1 ZINC000123750471 823537179 /nfs/dbraw/zinc/53/71/79/823537179.db2.gz HIJBFUNVRAUGCZ-UHFFFAOYSA-N 1 2 384.439 4.276 20 0 GIADLO Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000190113350 823538800 /nfs/dbraw/zinc/53/88/00/823538800.db2.gz XFNOJHZFSJBCSF-UHFFFAOYSA-N 1 2 384.480 4.008 20 0 GIADLO CC[C@H]1CCC[N@H+](Cn2nc(C3CC3)n(-c3cccc(NC(C)=O)c3)c2=S)C1 ZINC000042095510 821264685 /nfs/dbraw/zinc/26/46/85/821264685.db2.gz BZWNRGWKDLBXIN-INIZCTEOSA-N 1 2 399.564 4.319 20 0 GIADLO CC[C@H]1CCC[N@@H+](Cn2nc(C3CC3)n(-c3cccc(NC(C)=O)c3)c2=S)C1 ZINC000042095510 821264692 /nfs/dbraw/zinc/26/46/92/821264692.db2.gz BZWNRGWKDLBXIN-INIZCTEOSA-N 1 2 399.564 4.319 20 0 GIADLO CCC(=O)N1CCC[N@@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000123793010 823541338 /nfs/dbraw/zinc/54/13/38/823541338.db2.gz OCILBLPJCYLOPT-HNNXBMFYSA-N 1 2 375.900 4.309 20 0 GIADLO CCC(=O)N1CCC[N@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000123793010 823541342 /nfs/dbraw/zinc/54/13/42/823541342.db2.gz OCILBLPJCYLOPT-HNNXBMFYSA-N 1 2 375.900 4.309 20 0 GIADLO CN(CC1CCCC1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000060545693 823540629 /nfs/dbraw/zinc/54/06/29/823540629.db2.gz YFNBFBBSAGCDHC-SFHVURJKSA-N 1 2 381.923 4.448 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000042861482 821339881 /nfs/dbraw/zinc/33/98/81/821339881.db2.gz GOFUCEFMSHLVOW-HZPDHXFCSA-N 1 2 387.911 4.271 20 0 GIADLO COc1ncccc1C[NH2+]Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000042226291 821288010 /nfs/dbraw/zinc/28/80/10/821288010.db2.gz FGPSELTVZRTCHM-UHFFFAOYSA-N 1 2 377.275 4.181 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)Cc3ccc(Cl)s3)cn2c1 ZINC000042383041 821305667 /nfs/dbraw/zinc/30/56/67/821305667.db2.gz BSSZERQHJJJYKK-UHFFFAOYSA-N 1 2 379.938 4.249 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000042898184 821343349 /nfs/dbraw/zinc/34/33/49/821343349.db2.gz CJSRDJJGEKYOKN-NRFANRHFSA-N 1 2 394.544 4.302 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)c1nc(-c2ccc(OC)cc2)no1)c1ccc2c(c1)OCCO2 ZINC000180633288 821375890 /nfs/dbraw/zinc/37/58/90/821375890.db2.gz PRQGAEKSPDRLQH-KSSFIOAISA-N 1 2 395.459 4.318 20 0 GIADLO Cc1cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1Br ZINC000043260943 821382272 /nfs/dbraw/zinc/38/22/72/821382272.db2.gz SPGNVAFVEQIEDT-UHFFFAOYSA-N 1 2 399.292 4.324 20 0 GIADLO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H](c1nccn1C)c1ccccc1Cl ZINC000180657376 821385354 /nfs/dbraw/zinc/38/53/54/821385354.db2.gz PTTURYYHFORYSX-QBIMZIAESA-N 1 2 375.925 4.326 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3F)CC2)nc(C(C)C)[nH+]1 ZINC000043275962 821385532 /nfs/dbraw/zinc/38/55/32/821385532.db2.gz DYLQCJVXEKZSAE-UHFFFAOYSA-N 1 2 391.878 4.055 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)NCCCn3ccc4ccccc43)cn2c1 ZINC000043507817 821420678 /nfs/dbraw/zinc/42/06/78/821420678.db2.gz DSSPINVLMDEVFZ-UHFFFAOYSA-N 1 2 392.528 4.037 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCc2[nH]c3ccccc3c2C1 ZINC000043517037 821421122 /nfs/dbraw/zinc/42/11/22/821421122.db2.gz SZQVARIIKFJMTM-UHFFFAOYSA-N 1 2 395.532 4.201 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccc(F)cc3F)n2)C1 ZINC000043546817 821423886 /nfs/dbraw/zinc/42/38/86/821423886.db2.gz RQWZSJAGNYBTCC-CYBMUJFWSA-N 1 2 394.491 4.317 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccc(F)cc3F)n2)C1 ZINC000043546817 821423893 /nfs/dbraw/zinc/42/38/93/821423893.db2.gz RQWZSJAGNYBTCC-CYBMUJFWSA-N 1 2 394.491 4.317 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCc4sccc4C3)n2)C1 ZINC000043546908 821423916 /nfs/dbraw/zinc/42/39/16/821423916.db2.gz GLHKHYXAYATOBP-CYBMUJFWSA-N 1 2 376.551 4.027 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCc4sccc4C3)n2)C1 ZINC000043546908 821423922 /nfs/dbraw/zinc/42/39/22/821423922.db2.gz GLHKHYXAYATOBP-CYBMUJFWSA-N 1 2 376.551 4.027 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000043547908 821424708 /nfs/dbraw/zinc/42/47/08/821424708.db2.gz XQQCLIGHZXXXLJ-UHFFFAOYSA-N 1 2 377.473 4.372 20 0 GIADLO O=C(Nc1ccccc1SC(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043552648 821426952 /nfs/dbraw/zinc/42/69/52/821426952.db2.gz QURJTSNXCAZIHH-UHFFFAOYSA-N 1 2 383.489 4.413 20 0 GIADLO FC(F)(F)c1ccc([C@H]2C[N@H+](Cc3ccc(N4CCCC4)nc3)CCO2)cc1 ZINC000180776425 821449708 /nfs/dbraw/zinc/44/97/08/821449708.db2.gz GRKVHXMUUDLUPA-LJQANCHMSA-N 1 2 391.437 4.274 20 0 GIADLO FC(F)(F)c1ccc([C@H]2C[N@@H+](Cc3ccc(N4CCCC4)nc3)CCO2)cc1 ZINC000180776425 821449713 /nfs/dbraw/zinc/44/97/13/821449713.db2.gz GRKVHXMUUDLUPA-LJQANCHMSA-N 1 2 391.437 4.274 20 0 GIADLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(C(F)(F)F)c3)c2C1 ZINC000180789998 821459946 /nfs/dbraw/zinc/45/99/46/821459946.db2.gz OMALEEYRTYEPRI-UHFFFAOYSA-N 1 2 398.450 4.373 20 0 GIADLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(C(F)(F)F)c3)c2C1 ZINC000180789998 821459951 /nfs/dbraw/zinc/45/99/51/821459951.db2.gz OMALEEYRTYEPRI-UHFFFAOYSA-N 1 2 398.450 4.373 20 0 GIADLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc(-n4cccn4)cc3)n2)ccc1C ZINC000180829116 821484625 /nfs/dbraw/zinc/48/46/25/821484625.db2.gz VZOOAASSFQDJBP-INIZCTEOSA-N 1 2 389.459 4.090 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000044308636 821565580 /nfs/dbraw/zinc/56/55/80/821565580.db2.gz PAUDVHKBFKDDGX-UHFFFAOYSA-N 1 2 387.443 4.272 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1C ZINC000044567664 821610340 /nfs/dbraw/zinc/61/03/40/821610340.db2.gz NWLVMWFIKYRUOQ-UHFFFAOYSA-N 1 2 376.460 4.286 20 0 GIADLO COc1ccc([C@H](Nc2ccc(N3CCOCC3)c[nH+]2)c2ccccc2)cc1 ZINC000181072073 821618187 /nfs/dbraw/zinc/61/81/87/821618187.db2.gz AZSAOIXIJPNLCH-HSZRJFAPSA-N 1 2 375.472 4.128 20 0 GIADLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)C[C@H]1n1cc[nH+]c1 ZINC000181082727 821623869 /nfs/dbraw/zinc/62/38/69/821623869.db2.gz OULXJRWJEIMQSY-ZTFGCOKTSA-N 1 2 388.899 4.043 20 0 GIADLO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)c1 ZINC000181123334 821647608 /nfs/dbraw/zinc/64/76/08/821647608.db2.gz ULPZWQPULPPTAG-UHFFFAOYSA-N 1 2 399.445 4.159 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000181308315 821747093 /nfs/dbraw/zinc/74/70/93/821747093.db2.gz FANUPQNVUYKJQV-OLZOCXBDSA-N 1 2 392.429 4.055 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1cccc(N2CCOC2=O)c1 ZINC000181327917 821762065 /nfs/dbraw/zinc/76/20/65/821762065.db2.gz RVJHZAUKXAWDFU-ZDUSSCGKSA-N 1 2 398.850 4.197 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccccc2)no1 ZINC000181339667 821770996 /nfs/dbraw/zinc/77/09/96/821770996.db2.gz XDFJAMDFQFSPBX-HZPDHXFCSA-N 1 2 376.460 4.275 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181368000 821791807 /nfs/dbraw/zinc/79/18/07/821791807.db2.gz FOPTZMWAKFCBKQ-CQSZACIVSA-N 1 2 396.878 4.368 20 0 GIADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000181371291 821792900 /nfs/dbraw/zinc/79/29/00/821792900.db2.gz IHFJSTBRSQIOMZ-DLBZAZTESA-N 1 2 379.863 4.038 20 0 GIADLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000181371291 821792903 /nfs/dbraw/zinc/79/29/03/821792903.db2.gz IHFJSTBRSQIOMZ-DLBZAZTESA-N 1 2 379.863 4.038 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1nc(-c2cccs2)no1 ZINC000181376176 821794310 /nfs/dbraw/zinc/79/43/10/821794310.db2.gz VPUVKIYLGLVVAN-UONOGXRCSA-N 1 2 382.489 4.337 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(N2CCCC2=O)c1 ZINC000181400173 821807101 /nfs/dbraw/zinc/80/71/01/821807101.db2.gz JQCXACGXLFWJDB-AWEZNQCLSA-N 1 2 396.878 4.368 20 0 GIADLO COC[C@H]([NH2+]Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1 ZINC000181663477 821930529 /nfs/dbraw/zinc/93/05/29/821930529.db2.gz NSCFRNJIJCBSGT-SFHVURJKSA-N 1 2 384.501 4.305 20 0 GIADLO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000181666442 821932782 /nfs/dbraw/zinc/93/27/82/821932782.db2.gz ABTIDYHUNKXVQL-UHFFFAOYSA-N 1 2 398.410 4.159 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)c1c(F)cccc1Cl ZINC000181739133 821970041 /nfs/dbraw/zinc/97/00/41/821970041.db2.gz RAJOBJTZJRNVHQ-LBPRGKRZSA-N 1 2 392.887 4.075 20 0 GIADLO CCC[C@H]([NH2+]Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1)c1ccccc1 ZINC000181780140 821989396 /nfs/dbraw/zinc/98/93/96/821989396.db2.gz GBEOGKPRUJUBSC-SFHVURJKSA-N 1 2 396.516 4.430 20 0 GIADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] ZINC000181824954 822007741 /nfs/dbraw/zinc/00/77/41/822007741.db2.gz RBNQUURHGLLXSY-QWHCGFSZSA-N 1 2 397.391 4.273 20 0 GIADLO Cc1ccc([C@@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1[N+](=O)[O-] ZINC000181834442 822011709 /nfs/dbraw/zinc/01/17/09/822011709.db2.gz MZSWEIGEHGXRLB-CYBMUJFWSA-N 1 2 382.376 4.317 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(OC(F)(F)F)c1 ZINC000181896733 822029920 /nfs/dbraw/zinc/02/99/20/822029920.db2.gz PXUOEIYPKCCVGH-GFCCVEGCSA-N 1 2 388.349 4.358 20 0 GIADLO O=C(COc1cccc2cccnc21)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182048881 822073045 /nfs/dbraw/zinc/07/30/45/822073045.db2.gz WWCRJPBNKAOULK-UHFFFAOYSA-N 1 2 398.466 4.452 20 0 GIADLO O=C(Cc1ccc(O)cc1Cl)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182049182 822073778 /nfs/dbraw/zinc/07/37/78/822073778.db2.gz RSXQFJNKRYKANM-UHFFFAOYSA-N 1 2 381.863 4.427 20 0 GIADLO COc1cc(Br)c(C[NH2+]Cc2cccc(Cl)c2O)cc1OC ZINC000182199700 822143818 /nfs/dbraw/zinc/14/38/18/822143818.db2.gz LKBBJHBAKBIORA-UHFFFAOYSA-N 1 2 386.673 4.115 20 0 GIADLO COc1cc(OC)cc([C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)c2nccn2C)c1 ZINC000182302376 822193946 /nfs/dbraw/zinc/19/39/46/822193946.db2.gz YSWRPZZEVVRFGI-VXKWHMMOSA-N 1 2 395.478 4.333 20 0 GIADLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000182353366 822211640 /nfs/dbraw/zinc/21/16/40/822211640.db2.gz KHZKLHIIFYXYGD-DLBZAZTESA-N 1 2 381.904 4.198 20 0 GIADLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000182353366 822211646 /nfs/dbraw/zinc/21/16/46/822211646.db2.gz KHZKLHIIFYXYGD-DLBZAZTESA-N 1 2 381.904 4.198 20 0 GIADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(O)c1 ZINC000182380415 822222374 /nfs/dbraw/zinc/22/23/74/822222374.db2.gz WNJLFCWLXOJLBG-UHFFFAOYSA-N 1 2 383.451 4.234 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(C(F)(F)F)cc1 ZINC000182466242 822254150 /nfs/dbraw/zinc/25/41/50/822254150.db2.gz TZULNNRULDXDPV-NSHDSACASA-N 1 2 391.349 4.335 20 0 GIADLO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000182505038 822272248 /nfs/dbraw/zinc/27/22/48/822272248.db2.gz SZMRTCOSUMNSQD-APWZRJJASA-N 1 2 388.920 4.224 20 0 GIADLO Cc1cccc(C[NH+](Cc2ccc(-n3ccnc3)cc2)Cc2cccc(C)n2)n1 ZINC000177999195 822276580 /nfs/dbraw/zinc/27/65/80/822276580.db2.gz CBSAOFHAWVLDMJ-UHFFFAOYSA-N 1 2 383.499 4.482 20 0 GIADLO CN(C)c1ncccc1C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000182543087 822292738 /nfs/dbraw/zinc/29/27/38/822292738.db2.gz MSVASKDFAMQYFR-GOSISDBHSA-N 1 2 386.293 4.382 20 0 GIADLO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000182558655 822301961 /nfs/dbraw/zinc/30/19/61/822301961.db2.gz UEFVSZFFWMSBBG-FQEVSTJZSA-N 1 2 392.507 4.039 20 0 GIADLO O=C(NCc1ccc(Cl)cc1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178056610 822303888 /nfs/dbraw/zinc/30/38/88/822303888.db2.gz FZRVOWUIAGZTLQ-VQTJNVASSA-N 1 2 380.879 4.265 20 0 GIADLO CC(C)([NH2+]Cc1ccc(F)cc1C(F)(F)F)c1cn(-c2ccccc2)nn1 ZINC000182647107 822337653 /nfs/dbraw/zinc/33/76/53/822337653.db2.gz UMUIKFXTMOUBPJ-UHFFFAOYSA-N 1 2 378.373 4.450 20 0 GIADLO CCc1nc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)sc1C ZINC000178178203 822343491 /nfs/dbraw/zinc/34/34/91/822343491.db2.gz JMAYZSFZIOXKOE-ROUUACIJSA-N 1 2 381.505 4.261 20 0 GIADLO O=S(=O)(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC000178190064 822347793 /nfs/dbraw/zinc/34/77/93/822347793.db2.gz IULMVUXRIVNAOE-UHFFFAOYSA-N 1 2 399.806 4.132 20 0 GIADLO COCCC[C@@H](C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000182714669 822357162 /nfs/dbraw/zinc/35/71/62/822357162.db2.gz XWYJOCWIELFPCK-LJQANCHMSA-N 1 2 391.515 4.277 20 0 GIADLO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000453414485 822359573 /nfs/dbraw/zinc/35/95/73/822359573.db2.gz BEEDOAKMNALRKQ-KGLIPLIRSA-N 1 2 384.480 4.330 20 0 GIADLO COc1ccc(COCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000045079028 822361531 /nfs/dbraw/zinc/36/15/31/822361531.db2.gz BPGQJEMCDUHYEP-UHFFFAOYSA-N 1 2 391.471 4.050 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000178282271 822363034 /nfs/dbraw/zinc/36/30/34/822363034.db2.gz FJOBLHAXOMFUAF-QFIPXVFZSA-N 1 2 388.471 4.450 20 0 GIADLO CCCc1ccc([C@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)c2cccs2)cc1 ZINC000045123928 822364262 /nfs/dbraw/zinc/36/42/62/822364262.db2.gz MRWLOEVJNQURJQ-UZLBHIALSA-N 1 2 382.533 4.374 20 0 GIADLO CC(C)[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000045149721 822365757 /nfs/dbraw/zinc/36/57/57/822365757.db2.gz RFIZEBWIEJLLMR-QFIPXVFZSA-N 1 2 376.504 4.170 20 0 GIADLO CC[N@H+](C)[C@H](C(=O)Oc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000182784140 822367094 /nfs/dbraw/zinc/36/70/94/822367094.db2.gz IHHQWSZGOGVZAW-FQEVSTJZSA-N 1 2 378.428 4.130 20 0 GIADLO CC[N@@H+](C)[C@H](C(=O)Oc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000182784140 822367096 /nfs/dbraw/zinc/36/70/96/822367096.db2.gz IHHQWSZGOGVZAW-FQEVSTJZSA-N 1 2 378.428 4.130 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cc1F ZINC000178327107 822367524 /nfs/dbraw/zinc/36/75/24/822367524.db2.gz YBWPANLGTFLKLI-AWEZNQCLSA-N 1 2 399.491 4.072 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cn3ncn(CCc4ccccn4)c3=S)C2)c1 ZINC000182796317 822368651 /nfs/dbraw/zinc/36/86/51/822368651.db2.gz UHWVMXWECUYDEG-LJQANCHMSA-N 1 2 393.560 4.116 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3ncn(CCc4ccccn4)c3=S)C2)c1 ZINC000182796317 822368656 /nfs/dbraw/zinc/36/86/56/822368656.db2.gz UHWVMXWECUYDEG-LJQANCHMSA-N 1 2 393.560 4.116 20 0 GIADLO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)c3nnnn3-c3ccccc3)c(C)c2c1 ZINC000178341377 822368936 /nfs/dbraw/zinc/36/89/36/822368936.db2.gz RAFSPZOJTONZNI-CABCVRRESA-N 1 2 377.448 4.137 20 0 GIADLO O=C(NCc1cccc2cccnc21)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178349773 822370087 /nfs/dbraw/zinc/37/00/87/822370087.db2.gz HIBTXJSIBQMCGA-GGAORHGYSA-N 1 2 397.482 4.159 20 0 GIADLO O=C(Nc1ccccc1)c1nnc(C[NH2+]C2(c3ccccc3)CCCC2)s1 ZINC000182805832 822370684 /nfs/dbraw/zinc/37/06/84/822370684.db2.gz NRPKLONFAVJAMB-UHFFFAOYSA-N 1 2 378.501 4.350 20 0 GIADLO COc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)c3cc(OC)c(OC)cc3C)n2)cc1 ZINC000178384091 822373544 /nfs/dbraw/zinc/37/35/44/822373544.db2.gz DOYBEBPLCUAQAS-HUUCEWRRSA-N 1 2 397.475 4.483 20 0 GIADLO COc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)c3cc(OC)c(OC)cc3C)n2)cc1 ZINC000178384079 822373571 /nfs/dbraw/zinc/37/35/71/822373571.db2.gz DOYBEBPLCUAQAS-GJZGRUSLSA-N 1 2 397.475 4.483 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3coc(-c4cccs4)n3)C2)n1 ZINC000182847957 822378019 /nfs/dbraw/zinc/37/80/19/822378019.db2.gz HVFKXOAIMHZFRW-CYBMUJFWSA-N 1 2 382.411 4.456 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3coc(-c4cccs4)n3)C2)n1 ZINC000182847957 822378024 /nfs/dbraw/zinc/37/80/24/822378024.db2.gz HVFKXOAIMHZFRW-CYBMUJFWSA-N 1 2 382.411 4.456 20 0 GIADLO CC[C@H](C)[C@@H]([NH2+]Cc1nc(C)c(C)o1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000182866005 822381759 /nfs/dbraw/zinc/38/17/59/822381759.db2.gz CKEFHDNWWDVOGL-GAJHUEQPSA-N 1 2 397.563 4.277 20 0 GIADLO CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000178468548 822382329 /nfs/dbraw/zinc/38/23/29/822382329.db2.gz NURQLGGSWIJJFW-QGZVFWFLSA-N 1 2 382.508 4.059 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000045491206 822390504 /nfs/dbraw/zinc/39/05/04/822390504.db2.gz WQFDFBSFUIZKTG-LJQANCHMSA-N 1 2 384.911 4.382 20 0 GIADLO CC(C)[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1F ZINC000182908719 822390581 /nfs/dbraw/zinc/39/05/81/822390581.db2.gz XOOLOIHYMCMPSQ-GOSISDBHSA-N 1 2 378.879 4.419 20 0 GIADLO COCC[N@H+](Cc1cnc(-c2ccc(C)cc2)s1)Cc1c(C)nn(C)c1C ZINC000453603120 822391472 /nfs/dbraw/zinc/39/14/72/822391472.db2.gz AJAVDUCWFPREFC-UHFFFAOYSA-N 1 2 384.549 4.117 20 0 GIADLO COCC[N@@H+](Cc1cnc(-c2ccc(C)cc2)s1)Cc1c(C)nn(C)c1C ZINC000453603120 822391476 /nfs/dbraw/zinc/39/14/76/822391476.db2.gz AJAVDUCWFPREFC-UHFFFAOYSA-N 1 2 384.549 4.117 20 0 GIADLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1OC ZINC000453614943 822393294 /nfs/dbraw/zinc/39/32/94/822393294.db2.gz QHSNQPGUOAVPHN-MRXNPFEDSA-N 1 2 377.282 4.198 20 0 GIADLO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1OC ZINC000453614943 822393297 /nfs/dbraw/zinc/39/32/97/822393297.db2.gz QHSNQPGUOAVPHN-MRXNPFEDSA-N 1 2 377.282 4.198 20 0 GIADLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045531963 822393966 /nfs/dbraw/zinc/39/39/66/822393966.db2.gz NZRUJJAOCBKJIV-KRWDZBQOSA-N 1 2 380.467 4.016 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@H]1c1cccs1 ZINC000045532482 822394194 /nfs/dbraw/zinc/39/41/94/822394194.db2.gz VRWCIKWESZZFOB-SFHVURJKSA-N 1 2 380.517 4.082 20 0 GIADLO CC[C@@H]1c2ccsc2CCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532152 822394239 /nfs/dbraw/zinc/39/42/39/822394239.db2.gz ZIZMQZUALKCTEH-LJQANCHMSA-N 1 2 394.544 4.254 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@@H]1c1cccs1 ZINC000045532479 822394282 /nfs/dbraw/zinc/39/42/82/822394282.db2.gz VRWCIKWESZZFOB-GOSISDBHSA-N 1 2 380.517 4.082 20 0 GIADLO COc1ccc(C(=O)N2CCCC2)cc1N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182982233 822404335 /nfs/dbraw/zinc/40/43/35/822404335.db2.gz UFRHQVUIAFDWMW-KRWDZBQOSA-N 1 2 390.487 4.290 20 0 GIADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000045676888 822404849 /nfs/dbraw/zinc/40/48/49/822404849.db2.gz ZHLPSKPHJOTUBJ-SFHVURJKSA-N 1 2 381.520 4.197 20 0 GIADLO O=C(CC1CCC(C(F)(F)F)CC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000183002189 822408986 /nfs/dbraw/zinc/40/89/86/822408986.db2.gz KVDOUXADMWDCQM-UHFFFAOYSA-N 1 2 383.458 4.447 20 0 GIADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000178855823 822416644 /nfs/dbraw/zinc/41/66/44/822416644.db2.gz SXIAJDWGCFQGRV-AWEZNQCLSA-N 1 2 383.293 4.284 20 0 GIADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000178855823 822416646 /nfs/dbraw/zinc/41/66/46/822416646.db2.gz SXIAJDWGCFQGRV-AWEZNQCLSA-N 1 2 383.293 4.284 20 0 GIADLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178965028 822425025 /nfs/dbraw/zinc/42/50/25/822425025.db2.gz UVHOVSAWHGGXDS-INIZCTEOSA-N 1 2 398.919 4.176 20 0 GIADLO COc1ccc([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1Cn1cccn1 ZINC000183148454 822431379 /nfs/dbraw/zinc/43/13/79/822431379.db2.gz VBDZSYWAKNHASY-KRWDZBQOSA-N 1 2 377.492 4.108 20 0 GIADLO COc1ccccc1-c1nc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cs1 ZINC000183156370 822432894 /nfs/dbraw/zinc/43/28/94/822432894.db2.gz LIVORHWYHDIFSE-HFJWLAOPSA-N 1 2 386.542 4.028 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000046018938 822435313 /nfs/dbraw/zinc/43/53/13/822435313.db2.gz XESDQRXKUGBEAB-OAQYLSRUSA-N 1 2 378.451 4.117 20 0 GIADLO CCCCOc1ccc(CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000046024942 822436198 /nfs/dbraw/zinc/43/61/98/822436198.db2.gz YCMNHLBWIOHHMS-UHFFFAOYSA-N 1 2 377.488 4.083 20 0 GIADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000046099448 822441039 /nfs/dbraw/zinc/44/10/39/822441039.db2.gz XGXMCPKPOXCQMH-IBGZPJMESA-N 1 2 391.515 4.447 20 0 GIADLO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000179130999 822441479 /nfs/dbraw/zinc/44/14/79/822441479.db2.gz NDQMRNJDDNJJSI-KRWDZBQOSA-N 1 2 399.926 4.126 20 0 GIADLO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ncc(Br)s1 ZINC000179213565 822452089 /nfs/dbraw/zinc/45/20/89/822452089.db2.gz YFELKLPQZRIIGI-QMMMGPOBSA-N 1 2 389.702 4.181 20 0 GIADLO Cn1c(Cl)cnc1C[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000183288977 822453770 /nfs/dbraw/zinc/45/37/70/822453770.db2.gz SCFYJYDHMXGXSF-UHFFFAOYSA-N 1 2 398.894 4.326 20 0 GIADLO Cn1c(Cl)cnc1C[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000183288977 822453774 /nfs/dbraw/zinc/45/37/74/822453774.db2.gz SCFYJYDHMXGXSF-UHFFFAOYSA-N 1 2 398.894 4.326 20 0 GIADLO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ncc(Br)s1 ZINC000179238524 822455766 /nfs/dbraw/zinc/45/57/66/822455766.db2.gz GLJZCQPOHCDYCZ-CYBMUJFWSA-N 1 2 399.354 4.480 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454331072 822458923 /nfs/dbraw/zinc/45/89/23/822458923.db2.gz VRWIBQMWLLGIAK-ROUUACIJSA-N 1 2 394.441 4.242 20 0 GIADLO Cn1c(C[N@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)nc2ccccc21 ZINC000183342224 822461268 /nfs/dbraw/zinc/46/12/68/822461268.db2.gz XDOXHSQRUGNIIV-UHFFFAOYSA-N 1 2 381.373 4.286 20 0 GIADLO Cn1c(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)nc2ccccc21 ZINC000183342224 822461271 /nfs/dbraw/zinc/46/12/71/822461271.db2.gz XDOXHSQRUGNIIV-UHFFFAOYSA-N 1 2 381.373 4.286 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cnc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000046344728 822464036 /nfs/dbraw/zinc/46/40/36/822464036.db2.gz XHGSZBAOSPDBIF-STQMWFEESA-N 1 2 394.302 4.250 20 0 GIADLO Cc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000046345028 822464084 /nfs/dbraw/zinc/46/40/84/822464084.db2.gz AIRZDEXZLYSROZ-IAGOWNOFSA-N 1 2 391.515 4.267 20 0 GIADLO CCCOc1cccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000046345119 822464099 /nfs/dbraw/zinc/46/40/99/822464099.db2.gz QPQVDDBQDHBVHO-ROUUACIJSA-N 1 2 382.504 4.337 20 0 GIADLO CCCc1nc(C)c(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000046345629 822464352 /nfs/dbraw/zinc/46/43/52/822464352.db2.gz GWCVFKRKINIQOY-GASCZTMLSA-N 1 2 387.549 4.266 20 0 GIADLO CCCc1nc(C)c(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000046345629 822464353 /nfs/dbraw/zinc/46/43/53/822464353.db2.gz GWCVFKRKINIQOY-GASCZTMLSA-N 1 2 387.549 4.266 20 0 GIADLO COCCO[C@H]1CCC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000179347342 822468898 /nfs/dbraw/zinc/46/88/98/822468898.db2.gz CXXCXGZESSVGOW-SFHVURJKSA-N 1 2 380.941 4.015 20 0 GIADLO COCCO[C@H]1CCC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000179347342 822468900 /nfs/dbraw/zinc/46/89/00/822468900.db2.gz CXXCXGZESSVGOW-SFHVURJKSA-N 1 2 380.941 4.015 20 0 GIADLO CC(C)N(C)c1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000046468383 822475905 /nfs/dbraw/zinc/47/59/05/822475905.db2.gz FTWYEPRMHSQVLU-GOSISDBHSA-N 1 2 375.492 4.103 20 0 GIADLO CCc1nc([C@H](C)NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cs1 ZINC000454496530 822484923 /nfs/dbraw/zinc/48/49/23/822484923.db2.gz ZCKIEYAMLUELBY-LBPRGKRZSA-N 1 2 389.912 4.105 20 0 GIADLO Cc1cccc2c1N(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000454498709 822485340 /nfs/dbraw/zinc/48/53/40/822485340.db2.gz DSWAQDZHVVWVMG-QZTJIDSGSA-N 1 2 379.504 4.199 20 0 GIADLO CCn1c(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)nc2c1cccc2F ZINC000183507793 822487629 /nfs/dbraw/zinc/48/76/29/822487629.db2.gz IUYVYNLVCMEYFI-LBPRGKRZSA-N 1 2 375.419 4.202 20 0 GIADLO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc([S@](C)=O)cc1)c1ccccn1 ZINC000179483684 822489190 /nfs/dbraw/zinc/48/91/90/822489190.db2.gz RCKQJYPPKGNHGC-AIPAAETGSA-N 1 2 380.513 4.268 20 0 GIADLO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000183527775 822490195 /nfs/dbraw/zinc/49/01/95/822490195.db2.gz LDVDHPZOVSWMFS-YADHBBJMSA-N 1 2 393.556 4.204 20 0 GIADLO CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454521401 822490464 /nfs/dbraw/zinc/49/04/64/822490464.db2.gz YMXMEGSJHCXHTB-BAYUQKDNSA-N 1 2 387.568 4.440 20 0 GIADLO CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454521401 822490468 /nfs/dbraw/zinc/49/04/68/822490468.db2.gz YMXMEGSJHCXHTB-BAYUQKDNSA-N 1 2 387.568 4.440 20 0 GIADLO O=C(Cc1coc2ccc3ccccc3c12)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046618648 822493765 /nfs/dbraw/zinc/49/37/65/822493765.db2.gz RKBXPHSREAZDLT-UHFFFAOYSA-N 1 2 385.467 4.309 20 0 GIADLO Cc1cccc([C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c2ccccn2)c1 ZINC000179534599 822498968 /nfs/dbraw/zinc/49/89/68/822498968.db2.gz RPUQDSZHRVPUIC-AOMKIAJQSA-N 1 2 398.503 4.373 20 0 GIADLO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000183597889 822499370 /nfs/dbraw/zinc/49/93/70/822499370.db2.gz UMQNVCCFKVHKOF-SJKOYZFVSA-N 1 2 387.277 4.381 20 0 GIADLO COc1c(C)ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C ZINC000179548977 822501344 /nfs/dbraw/zinc/50/13/44/822501344.db2.gz XOMVCWXZAAAOFD-RBUKOAKNSA-N 1 2 389.446 4.157 20 0 GIADLO COc1c(C)ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C ZINC000179548977 822501345 /nfs/dbraw/zinc/50/13/45/822501345.db2.gz XOMVCWXZAAAOFD-RBUKOAKNSA-N 1 2 389.446 4.157 20 0 GIADLO O=C1CCCN1C[C@H]([NH2+]Cc1c(F)cccc1Br)c1ccccc1 ZINC000179552598 822502235 /nfs/dbraw/zinc/50/22/35/822502235.db2.gz ZLSMCJOFSPJVMS-SFHVURJKSA-N 1 2 391.284 4.042 20 0 GIADLO C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)c1cc(F)c(F)c(F)c1 ZINC000179555828 822502826 /nfs/dbraw/zinc/50/28/26/822502826.db2.gz WAKWXZKCSZKTMW-OPURJYLOSA-N 1 2 398.856 4.480 20 0 GIADLO C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)c1cc(F)c(F)c(F)c1 ZINC000179555828 822502829 /nfs/dbraw/zinc/50/28/29/822502829.db2.gz WAKWXZKCSZKTMW-OPURJYLOSA-N 1 2 398.856 4.480 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c[nH+]1 ZINC000454593470 822502949 /nfs/dbraw/zinc/50/29/49/822502949.db2.gz NXSZWRQUJQGVIO-KRWDZBQOSA-N 1 2 389.883 4.231 20 0 GIADLO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000183627342 822503219 /nfs/dbraw/zinc/50/32/19/822503219.db2.gz AEUZLAKGVHJQCL-ZDUSSCGKSA-N 1 2 399.401 4.169 20 0 GIADLO O=C1CCCN1C[C@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)c1ccccc1 ZINC000179560925 822503933 /nfs/dbraw/zinc/50/39/33/822503933.db2.gz GJAGCBNOZDEIET-IBGZPJMESA-N 1 2 397.425 4.073 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(OC(F)F)cc3)n2)cc1 ZINC000179612849 822512864 /nfs/dbraw/zinc/51/28/64/822512864.db2.gz FPTRSZPLKXMVSX-GFCCVEGCSA-N 1 2 375.375 4.197 20 0 GIADLO O=C(Nc1cccc(Cl)c1-n1cccn1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000046776283 822515963 /nfs/dbraw/zinc/51/59/63/822515963.db2.gz BSVVEKBUOVNLGB-UHFFFAOYSA-N 1 2 377.835 4.023 20 0 GIADLO O=C(NCc1ccccc1OC1CCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000046780074 822516614 /nfs/dbraw/zinc/51/66/14/822516614.db2.gz ZKDXJWMWAZSLHM-UHFFFAOYSA-N 1 2 375.472 4.183 20 0 GIADLO CC(C)c1csc(CNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)n1 ZINC000454694845 822518563 /nfs/dbraw/zinc/51/85/63/822518563.db2.gz KVOSJHZLYAYFCM-UHFFFAOYSA-N 1 2 389.912 4.105 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454775860 822531701 /nfs/dbraw/zinc/53/17/01/822531701.db2.gz ZQLMDNYZTWMZTJ-FQEVSTJZSA-N 1 2 392.459 4.314 20 0 GIADLO CCOc1ccc(OC)cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000183833987 822533771 /nfs/dbraw/zinc/53/37/71/822533771.db2.gz HBGAPLUWLNKHHE-HNNXBMFYSA-N 1 2 389.521 4.066 20 0 GIADLO Fc1ccc(COC2CC[NH+](Cc3cncc(Br)c3)CC2)cc1 ZINC000179742629 822540701 /nfs/dbraw/zinc/54/07/01/822540701.db2.gz GRCACSWPDGDFQH-UHFFFAOYSA-N 1 2 379.273 4.164 20 0 GIADLO Cc1cccc(-c2noc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)n2)c1 ZINC000179749924 822542428 /nfs/dbraw/zinc/54/24/28/822542428.db2.gz CBGFBNRVTNHLTG-OAQYLSRUSA-N 1 2 377.444 4.057 20 0 GIADLO CCCc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cnn1Cc1ccccc1 ZINC000047077248 822542819 /nfs/dbraw/zinc/54/28/19/822542819.db2.gz UPVDDWILGDRZQK-UHFFFAOYSA-N 1 2 385.471 4.322 20 0 GIADLO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000179768327 822548443 /nfs/dbraw/zinc/54/84/43/822548443.db2.gz BYHRHDPGROKXIH-INIZCTEOSA-N 1 2 376.243 4.446 20 0 GIADLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000179779762 822551255 /nfs/dbraw/zinc/55/12/55/822551255.db2.gz DDUHRYBQENAGHR-AWEZNQCLSA-N 1 2 384.277 4.055 20 0 GIADLO COc1ccc([C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c2ccccc2)cc1 ZINC000047248384 822558564 /nfs/dbraw/zinc/55/85/64/822558564.db2.gz PMPBRUZUDHXYGL-XMMPIXPASA-N 1 2 397.478 4.459 20 0 GIADLO Cc1csc(NC(=O)C2CC[NH+](Cc3csc(C(C)(C)C)n3)CC2)n1 ZINC000047264113 822559974 /nfs/dbraw/zinc/55/99/74/822559974.db2.gz FEQJPPNQUSURAQ-UHFFFAOYSA-N 1 2 378.567 4.056 20 0 GIADLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274106 822561011 /nfs/dbraw/zinc/56/10/11/822561011.db2.gz OFMUIHWKHKGNET-UHFFFAOYSA-N 1 2 393.462 4.352 20 0 GIADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274106 822561012 /nfs/dbraw/zinc/56/10/12/822561012.db2.gz OFMUIHWKHKGNET-UHFFFAOYSA-N 1 2 393.462 4.352 20 0 GIADLO C[C@@H](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)Cc1ccc(Cl)cc1 ZINC000179849592 822566008 /nfs/dbraw/zinc/56/60/08/822566008.db2.gz MOZJQZHFPOTXFA-QGZVFWFLSA-N 1 2 381.907 4.470 20 0 GIADLO O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000179853705 822566651 /nfs/dbraw/zinc/56/66/51/822566651.db2.gz NINRCNJINGFRMU-QGZVFWFLSA-N 1 2 388.393 4.243 20 0 GIADLO O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000179853705 822566652 /nfs/dbraw/zinc/56/66/52/822566652.db2.gz NINRCNJINGFRMU-QGZVFWFLSA-N 1 2 388.393 4.243 20 0 GIADLO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000184029444 822567253 /nfs/dbraw/zinc/56/72/53/822567253.db2.gz SVHGKSKGBAACBI-VGOFRKELSA-N 1 2 378.520 4.063 20 0 GIADLO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000047372012 822571835 /nfs/dbraw/zinc/57/18/35/822571835.db2.gz KVKCARSWRSOXNQ-AWEZNQCLSA-N 1 2 392.956 4.429 20 0 GIADLO C[C@@H](c1ccccc1F)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000047377831 822572727 /nfs/dbraw/zinc/57/27/27/822572727.db2.gz ANPRQCAWGFYWIV-CABCVRRESA-N 1 2 390.528 4.161 20 0 GIADLO C[C@@H](c1ccccc1F)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000047377831 822572730 /nfs/dbraw/zinc/57/27/30/822572730.db2.gz ANPRQCAWGFYWIV-CABCVRRESA-N 1 2 390.528 4.161 20 0 GIADLO C[C@H](O[NH+]=C(N)Cc1cccnc1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000179922037 822577640 /nfs/dbraw/zinc/57/76/40/822577640.db2.gz GRVZHKCCTTUQSI-JTQLQIEISA-N 1 2 392.246 4.031 20 0 GIADLO CC(C)(C)[C@@H](NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21)c1cccs1 ZINC000179932368 822579519 /nfs/dbraw/zinc/57/95/19/822579519.db2.gz SSGHPQWGEQPENE-INIZCTEOSA-N 1 2 396.438 4.415 20 0 GIADLO CC(C)COC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000184144804 822585272 /nfs/dbraw/zinc/58/52/72/822585272.db2.gz ZQMJKNYKQSEXFE-QAPCUYQASA-N 1 2 378.900 4.114 20 0 GIADLO CC(C)COC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000184144779 822585315 /nfs/dbraw/zinc/58/53/15/822585315.db2.gz ZQMJKNYKQSEXFE-YJBOKZPZSA-N 1 2 378.900 4.114 20 0 GIADLO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047515053 822585693 /nfs/dbraw/zinc/58/56/93/822585693.db2.gz DBBBWQYRBBXPEO-ZDUSSCGKSA-N 1 2 386.249 4.041 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000047514973 822585750 /nfs/dbraw/zinc/58/57/50/822585750.db2.gz SHXQIFKPKXWWEB-UHFFFAOYSA-N 1 2 391.431 4.023 20 0 GIADLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000184151382 822586334 /nfs/dbraw/zinc/58/63/34/822586334.db2.gz SAZQFPJQIWXARB-NQIIRXRSSA-N 1 2 399.535 4.210 20 0 GIADLO Cc1ccsc1CN(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047569543 822591818 /nfs/dbraw/zinc/59/18/18/822591818.db2.gz HHRUAJFFAUWDDW-IAGOWNOFSA-N 1 2 387.549 4.330 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC[C@@H]2c2ccncc2)C[C@H](C)O1 ZINC000047569711 822591894 /nfs/dbraw/zinc/59/18/94/822591894.db2.gz QKEZROPVPWUQIR-KGVIQGDOSA-N 1 2 394.519 4.060 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC[C@@H]2c2ccncc2)C[C@H](C)O1 ZINC000047569711 822591895 /nfs/dbraw/zinc/59/18/95/822591895.db2.gz QKEZROPVPWUQIR-KGVIQGDOSA-N 1 2 394.519 4.060 20 0 GIADLO CCN(CCc1ccccc1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047569963 822592030 /nfs/dbraw/zinc/59/20/30/822592030.db2.gz FUFQMWQOSONNQV-WOJBJXKFSA-N 1 2 395.547 4.392 20 0 GIADLO CC(C)CN(CC(C)C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047570195 822592142 /nfs/dbraw/zinc/59/21/42/822592142.db2.gz CWSGUDYEUYUSND-KDURUIRLSA-N 1 2 375.557 4.442 20 0 GIADLO CC(C)CN(CC(C)C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047570195 822592144 /nfs/dbraw/zinc/59/21/44/822592144.db2.gz CWSGUDYEUYUSND-KDURUIRLSA-N 1 2 375.557 4.442 20 0 GIADLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1cccc(C2CC2)c1 ZINC000455121461 822592156 /nfs/dbraw/zinc/59/21/56/822592156.db2.gz VPXHQESMSJCRAK-QZTJIDSGSA-N 1 2 378.520 4.108 20 0 GIADLO Cc1ccc(Br)cc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000047570862 822592312 /nfs/dbraw/zinc/59/23/12/822592312.db2.gz SIQUPEFMJFHUJA-UHFFFAOYSA-N 1 2 394.338 4.169 20 0 GIADLO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](COCC(C)C)c2ccco2)c1 ZINC000184192646 822593819 /nfs/dbraw/zinc/59/38/19/822593819.db2.gz WCMFPIPHPPVPMI-CRAIPNDOSA-N 1 2 376.522 4.332 20 0 GIADLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(-c4ccc(F)cc4)o3)ccc2NC1=O ZINC000180007045 822594730 /nfs/dbraw/zinc/59/47/30/822594730.db2.gz OXJZUMZVMTXLOF-SCLBCKFNSA-N 1 2 395.434 4.441 20 0 GIADLO CC(C)COC[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1ccco1 ZINC000184210876 822596910 /nfs/dbraw/zinc/59/69/10/822596910.db2.gz ARYCHHQSYSXJCP-NRFANRHFSA-N 1 2 384.520 4.409 20 0 GIADLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(-c4ccccc4)o3)ccc2NC1=O ZINC000180023057 822598783 /nfs/dbraw/zinc/59/87/83/822598783.db2.gz PVNJSCWWBSOHEZ-RDTXWAMCSA-N 1 2 377.444 4.302 20 0 GIADLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc(C(F)(F)F)cs3)ccc2NC1=O ZINC000180029232 822600643 /nfs/dbraw/zinc/60/06/43/822600643.db2.gz RLBZRIMJODXJIR-SKDRFNHKSA-N 1 2 385.411 4.122 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)n1 ZINC000184238594 822601122 /nfs/dbraw/zinc/60/11/22/822601122.db2.gz GLQWBIQKFPXNMC-CQSZACIVSA-N 1 2 386.546 4.097 20 0 GIADLO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000184306049 822611625 /nfs/dbraw/zinc/61/16/25/822611625.db2.gz XYZBEODCJNDFMT-OAHLLOKOSA-N 1 2 381.863 4.051 20 0 GIADLO CO[C@H](C)c1noc(C[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000184345800 822619610 /nfs/dbraw/zinc/61/96/10/822619610.db2.gz YTRJVANPQVCJIE-ZYHUDNBSSA-N 1 2 376.457 4.199 20 0 GIADLO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000180122977 822619893 /nfs/dbraw/zinc/61/98/93/822619893.db2.gz UKRSXUWAPFQBQJ-SOVGHPHASA-N 1 2 396.878 4.013 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nn1-c1ccccc1Cl ZINC000180128210 822621516 /nfs/dbraw/zinc/62/15/16/822621516.db2.gz PPFQMOQQEGTPGF-KBXCAEBGSA-N 1 2 398.898 4.146 20 0 GIADLO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3F)CC2)C1 ZINC000048047482 822626662 /nfs/dbraw/zinc/62/66/62/822626662.db2.gz URZNNNCYXBREEY-CQSZACIVSA-N 1 2 397.332 4.059 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc(C)c3)no2)cc1OC ZINC000048056648 822627783 /nfs/dbraw/zinc/62/77/83/822627783.db2.gz QQOKKXZXAVIHQR-GOSISDBHSA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc(C)c3)no2)cc1OC ZINC000048056648 822627786 /nfs/dbraw/zinc/62/77/86/822627786.db2.gz QQOKKXZXAVIHQR-GOSISDBHSA-N 1 2 379.460 4.399 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nn1-c1cc(C)cc(C)c1 ZINC000180183082 822634435 /nfs/dbraw/zinc/63/44/35/822634435.db2.gz MBKJHURHVJOBGF-PXNSSMCTSA-N 1 2 392.507 4.109 20 0 GIADLO CCCOc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1Cl ZINC000048123726 822635909 /nfs/dbraw/zinc/63/59/09/822635909.db2.gz QVVBHAYERRYENT-UHFFFAOYSA-N 1 2 388.899 4.446 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)c1nc(C(C)(C)C)cs1 ZINC000184450276 822637422 /nfs/dbraw/zinc/63/74/22/822637422.db2.gz NULAIELJRNDRPA-LLVKDONJSA-N 1 2 396.354 4.492 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1cccc2c1N=S=N2)c1nc(C(C)(C)C)cs1 ZINC000184451296 822637632 /nfs/dbraw/zinc/63/76/32/822637632.db2.gz TXYJKQXDMHSJCZ-JTQLQIEISA-N 1 2 375.523 4.456 20 0 GIADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1Cl ZINC000180205255 822639155 /nfs/dbraw/zinc/63/91/55/822639155.db2.gz FCIHYKWITGBNBA-UHFFFAOYSA-N 1 2 398.812 4.443 20 0 GIADLO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000184474741 822642350 /nfs/dbraw/zinc/64/23/50/822642350.db2.gz GDMRIXKVYWDEFG-HNNXBMFYSA-N 1 2 381.863 4.051 20 0 GIADLO CCCCn1c(SCc2cn3cc(C)ccc3n2)nnc1[C@H](CC)[NH+](C)C ZINC000184527080 822651278 /nfs/dbraw/zinc/65/12/78/822651278.db2.gz WXHNYUFQZSBRLX-KRWDZBQOSA-N 1 2 386.569 4.339 20 0 GIADLO Clc1cnccc1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000184533890 822652532 /nfs/dbraw/zinc/65/25/32/822652532.db2.gz KTNCHXLDAXFJEQ-UHFFFAOYSA-N 1 2 399.951 4.263 20 0 GIADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000455444929 822655414 /nfs/dbraw/zinc/65/54/14/822655414.db2.gz KXYFLKWLAXEHGO-OAHLLOKOSA-N 1 2 391.437 4.436 20 0 GIADLO COCCN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455467406 822660178 /nfs/dbraw/zinc/66/01/78/822660178.db2.gz AVLDUNSYCSKYHT-UHFFFAOYSA-N 1 2 379.863 4.480 20 0 GIADLO COC(=O)C[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(SC)cc1 ZINC000455470197 822660699 /nfs/dbraw/zinc/66/06/99/822660699.db2.gz IFMRYCDRMIHXTR-KRWDZBQOSA-N 1 2 387.505 4.155 20 0 GIADLO CCc1ccc(C2=CCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000180309166 822661374 /nfs/dbraw/zinc/66/13/74/822661374.db2.gz VBVMZVJWDNHKLO-UHFFFAOYSA-N 1 2 390.531 4.112 20 0 GIADLO CC(C)Oc1cccc([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000048485385 822667054 /nfs/dbraw/zinc/66/70/54/822667054.db2.gz TWYZVFVJJCWUEJ-QGZVFWFLSA-N 1 2 382.508 4.029 20 0 GIADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1)c1ccco1 ZINC000184626100 822667775 /nfs/dbraw/zinc/66/77/75/822667775.db2.gz XYVNVNUIYRXQSZ-LPHOPBHVSA-N 1 2 380.444 4.376 20 0 GIADLO CCC(CC)n1nc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1C ZINC000180354808 822668964 /nfs/dbraw/zinc/66/89/64/822668964.db2.gz LVMOBVKCRIYWSG-UHFFFAOYSA-N 1 2 375.542 4.247 20 0 GIADLO COC[C@H]([NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(C)o1 ZINC000184643203 822670183 /nfs/dbraw/zinc/67/01/83/822670183.db2.gz JQIHNLYDMJTVRW-NRFANRHFSA-N 1 2 394.471 4.083 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c(C)[nH+]1 ZINC000455528632 822670914 /nfs/dbraw/zinc/67/09/14/822670914.db2.gz QVZDRVZZDFIBNC-AWEZNQCLSA-N 1 2 395.429 4.171 20 0 GIADLO O=C(c1cc(F)ccc1F)C1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000048565678 822672931 /nfs/dbraw/zinc/67/29/31/822672931.db2.gz NJKCJJNFNBSZRP-UHFFFAOYSA-N 1 2 391.389 4.065 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(C)Cc2cc(Br)ccc2Cl)c[nH+]1 ZINC000455556253 822674487 /nfs/dbraw/zinc/67/44/87/822674487.db2.gz GLVGPTFJDGAQBC-UHFFFAOYSA-N 1 2 396.716 4.456 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)c[nH+]1 ZINC000455568616 822675962 /nfs/dbraw/zinc/67/59/62/822675962.db2.gz JSJNPDINCPPCIE-HNNXBMFYSA-N 1 2 379.426 4.490 20 0 GIADLO CCOc1ccc2nc(NC(=O)C[NH2+][C@@H](C)c3csc(CC)n3)sc2c1 ZINC000184698520 822678518 /nfs/dbraw/zinc/67/85/18/822678518.db2.gz YCMAGMNYXXSFEZ-NSHDSACASA-N 1 2 390.534 4.003 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000180434082 822681126 /nfs/dbraw/zinc/68/11/26/822681126.db2.gz QTIUNDMYZFZACE-HNNXBMFYSA-N 1 2 387.911 4.087 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(F)cc1F)c1cc2c(cc1Br)OCCO2 ZINC000048786258 822683067 /nfs/dbraw/zinc/68/30/67/822683067.db2.gz YFOLTCHEPQIJCG-JTQLQIEISA-N 1 2 384.220 4.349 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2C)cs1 ZINC000184747645 822685566 /nfs/dbraw/zinc/68/55/66/822685566.db2.gz AFUOTWZEASSWHW-NSHDSACASA-N 1 2 382.327 4.066 20 0 GIADLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000455636787 822688148 /nfs/dbraw/zinc/68/81/48/822688148.db2.gz IETALZYLDHGCMA-UWJYYQICSA-N 1 2 394.906 4.132 20 0 GIADLO COC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21)c1ccc(C)o1 ZINC000184769186 822688425 /nfs/dbraw/zinc/68/84/25/822688425.db2.gz PORWAQSKBVRYJK-FIKGOQFSSA-N 1 2 380.488 4.284 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484642 822689609 /nfs/dbraw/zinc/68/96/09/822689609.db2.gz WBSGBMSXNYDCBY-AWEZNQCLSA-N 1 2 391.437 4.163 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484642 822689611 /nfs/dbraw/zinc/68/96/11/822689611.db2.gz WBSGBMSXNYDCBY-AWEZNQCLSA-N 1 2 391.437 4.163 20 0 GIADLO CC[C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(OC)cc1 ZINC000180522314 822695651 /nfs/dbraw/zinc/69/56/51/822695651.db2.gz WPJHIWAGGACSHR-NRFANRHFSA-N 1 2 381.520 4.281 20 0 GIADLO COc1cc(Br)c(C[NH2+][C@H](C)c2cccnc2Cl)cc1OC ZINC000180543698 822699296 /nfs/dbraw/zinc/69/92/96/822699296.db2.gz AUPDKHPQHJDCSE-SNVBAGLBSA-N 1 2 385.689 4.366 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ncc(-c2ccccc2)o1 ZINC000184859962 822701980 /nfs/dbraw/zinc/70/19/80/822701980.db2.gz PXCCDEVJTDNYHR-KRWDZBQOSA-N 1 2 390.487 4.231 20 0 GIADLO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184861307 822702190 /nfs/dbraw/zinc/70/21/90/822702190.db2.gz RSJONQJWBFOVKA-MRXNPFEDSA-N 1 2 381.451 4.180 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)NCc1ccccc1Cl ZINC000184869477 822704087 /nfs/dbraw/zinc/70/40/87/822704087.db2.gz JQPOOMTYPGPEQM-CABCVRRESA-N 1 2 383.879 4.351 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(Br)c(Cl)c1Cl ZINC000184869648 822704191 /nfs/dbraw/zinc/70/41/91/822704191.db2.gz GOURGZASEWEFGG-UHFFFAOYSA-N 1 2 392.084 4.164 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)c1ccc2c(c1)OCCO2 ZINC000184875389 822705177 /nfs/dbraw/zinc/70/51/77/822705177.db2.gz LMOCEEQDPNCCLE-GHMZBOCLSA-N 1 2 396.256 4.477 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000049974291 822712946 /nfs/dbraw/zinc/71/29/46/822712946.db2.gz ZFJKHWMBAOXWPT-YCRPNKLZSA-N 1 2 380.444 4.003 20 0 GIADLO COc1ccccc1NC(=O)C1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000049983198 822713129 /nfs/dbraw/zinc/71/31/29/822713129.db2.gz OZNAEBYYTBVATO-UHFFFAOYSA-N 1 2 394.302 4.248 20 0 GIADLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)OCCO2 ZINC000180618647 822713687 /nfs/dbraw/zinc/71/36/87/822713687.db2.gz VMGSAMWUOKFYBY-INIZCTEOSA-N 1 2 385.851 4.402 20 0 GIADLO Cc1cc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)on1 ZINC000184949963 822717506 /nfs/dbraw/zinc/71/75/06/822717506.db2.gz ARKDTNPXTCQKEQ-LLVKDONJSA-N 1 2 390.896 4.358 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1cc(Br)cc(F)c1O ZINC000184957841 822718388 /nfs/dbraw/zinc/71/83/88/822718388.db2.gz WPDCNBSJWFFZEZ-VHSXEESVSA-N 1 2 382.229 4.434 20 0 GIADLO CSc1cccc(C)c1NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000184962178 822718963 /nfs/dbraw/zinc/71/89/63/822718963.db2.gz ONPCLFVHONLLBN-UHFFFAOYSA-N 1 2 399.564 4.293 20 0 GIADLO C[C@@H](c1ccsc1)N1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000184973535 822720245 /nfs/dbraw/zinc/72/02/45/822720245.db2.gz LFUALURYDQERIP-KRWDZBQOSA-N 1 2 380.517 4.209 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)s1 ZINC000185003119 822724143 /nfs/dbraw/zinc/72/41/43/822724143.db2.gz DJVATDYVKRFRBU-OAHLLOKOSA-N 1 2 397.548 4.224 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1nccs1 ZINC000185045759 822728796 /nfs/dbraw/zinc/72/87/96/822728796.db2.gz DUSFWZWLKVRTPZ-IBGZPJMESA-N 1 2 381.501 4.402 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CCOc2cccc(Cl)c2Cl)c1C ZINC000050447999 822729627 /nfs/dbraw/zinc/72/96/27/822729627.db2.gz LCGCXRMKOJEYSW-UHFFFAOYSA-N 1 2 383.275 4.099 20 0 GIADLO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)c1O ZINC000185082328 822734387 /nfs/dbraw/zinc/73/43/87/822734387.db2.gz STNZJWGTHMDXKH-JTQLQIEISA-N 1 2 389.814 4.288 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1nccs1 ZINC000185109233 822738255 /nfs/dbraw/zinc/73/82/55/822738255.db2.gz VCGDWPMMAVESOA-NSHDSACASA-N 1 2 377.819 4.495 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CCSc2nc3ccccc3s2)c1C ZINC000050771359 822738373 /nfs/dbraw/zinc/73/83/73/822738373.db2.gz DDWPFUWOGPIRNK-UHFFFAOYSA-N 1 2 387.530 4.115 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](C)Cc2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000185162346 822744525 /nfs/dbraw/zinc/74/45/25/822744525.db2.gz FDEMPHSBZNGHHL-UHFFFAOYSA-N 1 2 387.455 4.080 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](C)Cc2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000185162346 822744527 /nfs/dbraw/zinc/74/45/27/822744527.db2.gz FDEMPHSBZNGHHL-UHFFFAOYSA-N 1 2 387.455 4.080 20 0 GIADLO CCCCOc1ccc(-c2nnc(C[NH+]3CCN(c4ccccc4)CC3)o2)cc1 ZINC000051129030 822746841 /nfs/dbraw/zinc/74/68/41/822746841.db2.gz AJFMFWHNQMXOBA-UHFFFAOYSA-N 1 2 392.503 4.238 20 0 GIADLO CCc1c(C(=O)C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)[nH]c(C)c1C(C)=O ZINC000051131891 822746997 /nfs/dbraw/zinc/74/69/97/822746997.db2.gz MTTJQOOURNATCS-YADARESESA-N 1 2 396.531 4.371 20 0 GIADLO CCc1c(C(=O)C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)[nH]c(C)c1C(C)=O ZINC000051131891 822746999 /nfs/dbraw/zinc/74/69/99/822746999.db2.gz MTTJQOOURNATCS-YADARESESA-N 1 2 396.531 4.371 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cnc(Cc3ccccc3F)s2)c1C ZINC000185190771 822747381 /nfs/dbraw/zinc/74/73/81/822747381.db2.gz ZFANOPVPWGCMOZ-UHFFFAOYSA-N 1 2 399.491 4.166 20 0 GIADLO CCSCc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)no1 ZINC000185202392 822749038 /nfs/dbraw/zinc/74/90/38/822749038.db2.gz BZDVIWMMAFAATC-UHFFFAOYSA-N 1 2 382.489 4.380 20 0 GIADLO O=C(CCCOCCc1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000051283672 822754178 /nfs/dbraw/zinc/75/41/78/822754178.db2.gz ZSUAZJBZTHTNKM-UHFFFAOYSA-N 1 2 387.549 4.107 20 0 GIADLO O=C(Nc1cc(Cl)cc(Br)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000455963548 822757951 /nfs/dbraw/zinc/75/79/51/822757951.db2.gz AVXRYXBULIWCLF-SNVBAGLBSA-N 1 2 383.677 4.237 20 0 GIADLO Cc1ccc(C(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)c(C2CC2)n1 ZINC000456027461 822768227 /nfs/dbraw/zinc/76/82/27/822768227.db2.gz RIVASSCOUYBJIG-IRXDYDNUSA-N 1 2 387.524 4.014 20 0 GIADLO Cc1ccc(C(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)c(C2CC2)n1 ZINC000456027461 822768230 /nfs/dbraw/zinc/76/82/30/822768230.db2.gz RIVASSCOUYBJIG-IRXDYDNUSA-N 1 2 387.524 4.014 20 0 GIADLO C[C@H](CCOc1ccccc1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000174331432 822772387 /nfs/dbraw/zinc/77/23/87/822772387.db2.gz KKGOLMQBDFXNHM-GOSISDBHSA-N 1 2 393.487 4.141 20 0 GIADLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051755375 822777655 /nfs/dbraw/zinc/77/76/55/822777655.db2.gz HHSBNYAOSCVXQK-UHFFFAOYSA-N 1 2 379.913 4.320 20 0 GIADLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000185429967 822782838 /nfs/dbraw/zinc/78/28/38/822782838.db2.gz UKKLIJGITNDARL-SDNWHVSQSA-N 1 2 386.477 4.079 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1cc(Br)cc(F)c1O ZINC000185445896 822785047 /nfs/dbraw/zinc/78/50/47/822785047.db2.gz VHNNQRUHCBWZEQ-VHSXEESVSA-N 1 2 396.260 4.196 20 0 GIADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(Cc2ccccc2)c2ccccc2)on1 ZINC000052010432 822786805 /nfs/dbraw/zinc/78/68/05/822786805.db2.gz RNZGPIYENFTKMJ-OAQYLSRUSA-N 1 2 375.472 4.353 20 0 GIADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(Cc2ccccc2)c2ccccc2)on1 ZINC000052010432 822786806 /nfs/dbraw/zinc/78/68/06/822786806.db2.gz RNZGPIYENFTKMJ-OAQYLSRUSA-N 1 2 375.472 4.353 20 0 GIADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(Cc2ccccc2)c2ccccc2)on1 ZINC000052010429 822786843 /nfs/dbraw/zinc/78/68/43/822786843.db2.gz RNZGPIYENFTKMJ-NRFANRHFSA-N 1 2 375.472 4.353 20 0 GIADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(Cc2ccccc2)c2ccccc2)on1 ZINC000052010429 822786845 /nfs/dbraw/zinc/78/68/45/822786845.db2.gz RNZGPIYENFTKMJ-NRFANRHFSA-N 1 2 375.472 4.353 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(O)(c3ccccc3)CC2)c(Cl)c1 ZINC000185479770 822788972 /nfs/dbraw/zinc/78/89/72/822788972.db2.gz QMYKOWXZYMHJLN-QGZVFWFLSA-N 1 2 386.923 4.267 20 0 GIADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185525514 822793479 /nfs/dbraw/zinc/79/34/79/822793479.db2.gz LUKUNJMESGMHKN-CQSZACIVSA-N 1 2 393.314 4.304 20 0 GIADLO CC(C)Oc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(F)c1 ZINC000052265628 822795131 /nfs/dbraw/zinc/79/51/31/822795131.db2.gz IZTAGXMQAQDZJI-UHFFFAOYSA-N 1 2 386.471 4.320 20 0 GIADLO CCCC(=O)Nc1cccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000052324747 822796428 /nfs/dbraw/zinc/79/64/28/822796428.db2.gz DEZMEKYDHNBNQX-UHFFFAOYSA-N 1 2 386.459 4.166 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000174522653 822800454 /nfs/dbraw/zinc/80/04/54/822800454.db2.gz JLPODCMNJLYXJC-UHFFFAOYSA-N 1 2 378.520 4.341 20 0 GIADLO C[C@@H](c1nccs1)N1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000185611130 822802027 /nfs/dbraw/zinc/80/20/27/822802027.db2.gz DTHIFIQEMLHBTI-AWEZNQCLSA-N 1 2 387.940 4.065 20 0 GIADLO C[C@@H](CNC(=O)CCCCC(=O)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000052586349 822804476 /nfs/dbraw/zinc/80/44/76/822804476.db2.gz MZVBINSIXPCFHQ-KRWDZBQOSA-N 1 2 384.545 4.054 20 0 GIADLO C[C@@H](CNC(=O)CCCCC(=O)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000052586349 822804478 /nfs/dbraw/zinc/80/44/78/822804478.db2.gz MZVBINSIXPCFHQ-KRWDZBQOSA-N 1 2 384.545 4.054 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nc(-c2cccc(C)c2)no1 ZINC000185637284 822805249 /nfs/dbraw/zinc/80/52/49/822805249.db2.gz ZBNPRGRBUBOLBP-GFCCVEGCSA-N 1 2 393.413 4.271 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000174581061 822807848 /nfs/dbraw/zinc/80/78/48/822807848.db2.gz OXLYTBRWVXNGTA-GFCCVEGCSA-N 1 2 382.291 4.164 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000174581061 822807849 /nfs/dbraw/zinc/80/78/49/822807849.db2.gz OXLYTBRWVXNGTA-GFCCVEGCSA-N 1 2 382.291 4.164 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052711902 822808018 /nfs/dbraw/zinc/80/80/18/822808018.db2.gz RIUITSXCCMSYRT-GOSISDBHSA-N 1 2 385.577 4.325 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)nc2)c(Br)c1 ZINC000174593252 822809394 /nfs/dbraw/zinc/80/93/94/822809394.db2.gz VIYARKRCYVIMQX-LBPRGKRZSA-N 1 2 396.716 4.265 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c(Br)c1 ZINC000174593252 822809395 /nfs/dbraw/zinc/80/93/95/822809395.db2.gz VIYARKRCYVIMQX-LBPRGKRZSA-N 1 2 396.716 4.265 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000052749773 822809531 /nfs/dbraw/zinc/80/95/31/822809531.db2.gz JCGVSHFSHJNGOG-MRXNPFEDSA-N 1 2 390.462 4.308 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000052749839 822809554 /nfs/dbraw/zinc/80/95/54/822809554.db2.gz CSMIMTSIFOZEDS-MRXNPFEDSA-N 1 2 388.496 4.492 20 0 GIADLO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)c(OC)cc1Cl ZINC000052803753 822811236 /nfs/dbraw/zinc/81/12/36/822811236.db2.gz MEHVLEKWVFFACD-HNNXBMFYSA-N 1 2 380.897 4.194 20 0 GIADLO COc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)c(OC)cc1Cl ZINC000052803753 822811240 /nfs/dbraw/zinc/81/12/40/822811240.db2.gz MEHVLEKWVFFACD-HNNXBMFYSA-N 1 2 380.897 4.194 20 0 GIADLO C[C@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1cccnc1 ZINC000174620175 822813383 /nfs/dbraw/zinc/81/33/83/822813383.db2.gz OHBMFYZKIYFCPK-IBGZPJMESA-N 1 2 396.494 4.413 20 0 GIADLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC000052872748 822813707 /nfs/dbraw/zinc/81/37/07/822813707.db2.gz UPLDNNSCEDOMJB-OAHLLOKOSA-N 1 2 386.442 4.195 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1O ZINC000174625061 822814058 /nfs/dbraw/zinc/81/40/58/822814058.db2.gz IWSXNKGJWLIZMQ-LLVKDONJSA-N 1 2 383.275 4.167 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1O ZINC000174625061 822814060 /nfs/dbraw/zinc/81/40/60/822814060.db2.gz IWSXNKGJWLIZMQ-LLVKDONJSA-N 1 2 383.275 4.167 20 0 GIADLO CCc1nc(CSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)no1 ZINC000052889649 822814231 /nfs/dbraw/zinc/81/42/31/822814231.db2.gz GZRCVPYALSQILV-OAHLLOKOSA-N 1 2 398.536 4.052 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1O ZINC000174629800 822814511 /nfs/dbraw/zinc/81/45/11/822814511.db2.gz JGFUTMLZGJTOJC-AWEZNQCLSA-N 1 2 376.884 4.130 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1O ZINC000174629800 822814513 /nfs/dbraw/zinc/81/45/13/822814513.db2.gz JGFUTMLZGJTOJC-AWEZNQCLSA-N 1 2 376.884 4.130 20 0 GIADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000052909782 822815114 /nfs/dbraw/zinc/81/51/14/822815114.db2.gz RNCUSUGEGOPIBG-UHFFFAOYSA-N 1 2 377.375 4.436 20 0 GIADLO CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000052910109 822815130 /nfs/dbraw/zinc/81/51/30/822815130.db2.gz QAONLGWTXLNCTN-UHFFFAOYSA-N 1 2 378.432 4.472 20 0 GIADLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cccc(F)c2F)c2ccccc2)c1 ZINC000174633077 822815200 /nfs/dbraw/zinc/81/52/00/822815200.db2.gz DKGPVDREXZXLNK-NRFANRHFSA-N 1 2 387.451 4.248 20 0 GIADLO CCc1ccc([C@@H]([NH2+]Cc2ccc(C)o2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174633992 822815411 /nfs/dbraw/zinc/81/54/11/822815411.db2.gz ZNBSURFKOINPQJ-JOCHJYFZSA-N 1 2 383.513 4.433 20 0 GIADLO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993736 822817958 /nfs/dbraw/zinc/81/79/58/822817958.db2.gz LUZBIIODLOCLLQ-LLVKDONJSA-N 1 2 390.896 4.144 20 0 GIADLO CCOc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1OCC ZINC000174656325 822819011 /nfs/dbraw/zinc/81/90/11/822819011.db2.gz MKYPDOHYISHVIY-HNNXBMFYSA-N 1 2 397.475 4.393 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(OC(F)F)cc3)n2)c1 ZINC000174659074 822819646 /nfs/dbraw/zinc/81/96/46/822819646.db2.gz KHMGKUZKCOGGGT-LBPRGKRZSA-N 1 2 375.375 4.197 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174665322 822820878 /nfs/dbraw/zinc/82/08/78/822820878.db2.gz HSHPXAPQSYEOHL-LBPRGKRZSA-N 1 2 377.366 4.370 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000053111163 822822103 /nfs/dbraw/zinc/82/21/03/822822103.db2.gz IKGUTFSVEDDSQX-CYBMUJFWSA-N 1 2 378.394 4.367 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000053111163 822822104 /nfs/dbraw/zinc/82/21/04/822822104.db2.gz IKGUTFSVEDDSQX-CYBMUJFWSA-N 1 2 378.394 4.367 20 0 GIADLO CCOc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)cc1OC ZINC000053125191 822822757 /nfs/dbraw/zinc/82/27/57/822822757.db2.gz MGVQEEAIKYRYKN-CVEARBPZSA-N 1 2 388.483 4.103 20 0 GIADLO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)cc1OC ZINC000053125191 822822758 /nfs/dbraw/zinc/82/27/58/822822758.db2.gz MGVQEEAIKYRYKN-CVEARBPZSA-N 1 2 388.483 4.103 20 0 GIADLO CCOc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2F)cc1OC ZINC000053125192 822822796 /nfs/dbraw/zinc/82/27/96/822822796.db2.gz MGVQEEAIKYRYKN-HOTGVXAUSA-N 1 2 388.483 4.103 20 0 GIADLO CCOc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2F)cc1OC ZINC000053125192 822822798 /nfs/dbraw/zinc/82/27/98/822822798.db2.gz MGVQEEAIKYRYKN-HOTGVXAUSA-N 1 2 388.483 4.103 20 0 GIADLO O=c1nc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)[nH]c2sc3c(c21)CCC3 ZINC000053128528 822822900 /nfs/dbraw/zinc/82/29/00/822822900.db2.gz BNMXRIDRLUYRDF-UHFFFAOYSA-N 1 2 385.920 4.291 20 0 GIADLO O=c1nc(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)[nH]c2sc3c(c21)CCC3 ZINC000053128528 822822903 /nfs/dbraw/zinc/82/29/03/822822903.db2.gz BNMXRIDRLUYRDF-UHFFFAOYSA-N 1 2 385.920 4.291 20 0 GIADLO C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C(=O)c1cccc(F)c1 ZINC000174695238 822824569 /nfs/dbraw/zinc/82/45/69/822824569.db2.gz CMDACJAJJVDTIZ-QGZVFWFLSA-N 1 2 397.494 4.126 20 0 GIADLO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000185826358 822824839 /nfs/dbraw/zinc/82/48/39/822824839.db2.gz BDOKCVNTMCMALO-DIFFPNOSSA-N 1 2 398.272 4.077 20 0 GIADLO COc1ccc2c(c1)nc(C[NH2+]Cc1c(Cl)cccc1N1CCCC1)n2C ZINC000185841751 822826554 /nfs/dbraw/zinc/82/65/54/822826554.db2.gz ZNKQULRFOXVSOB-UHFFFAOYSA-N 1 2 384.911 4.125 20 0 GIADLO Cc1ccc(C)c([C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H](C)CO2)c1 ZINC000174708990 822826598 /nfs/dbraw/zinc/82/65/98/822826598.db2.gz MRSYNXCQVYNIQR-AVRDEDQJSA-N 1 2 375.472 4.091 20 0 GIADLO COCCn1c2ccccc2[nH+]c1NCc1cc(OC)c(OC)cc1SC ZINC000185845571 822826824 /nfs/dbraw/zinc/82/68/24/822826824.db2.gz TYQGWXXDRJVTCJ-UHFFFAOYSA-N 1 2 387.505 4.034 20 0 GIADLO CC(C)(c1ccc(F)cc1)C1(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000456745732 822828973 /nfs/dbraw/zinc/82/89/73/822828973.db2.gz CQZWPUWZPWWETM-UHFFFAOYSA-N 1 2 391.490 4.240 20 0 GIADLO CC(C)Sc1ccccc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000053300366 822829534 /nfs/dbraw/zinc/82/95/34/822829534.db2.gz MMWTVDCLWRALPY-UHFFFAOYSA-N 1 2 379.529 4.404 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1nc(C(F)(F)F)cs1 ZINC000185945463 822836074 /nfs/dbraw/zinc/83/60/74/822836074.db2.gz LFHDPSDWIAEILS-ZDUSSCGKSA-N 1 2 389.418 4.000 20 0 GIADLO Cc1cc(C)c(CNC(=O)c2occc2CN2c3ccccc3C[C@H]2C)c[nH+]1 ZINC000456834763 822836656 /nfs/dbraw/zinc/83/66/56/822836656.db2.gz IGKIUYFMPSNXHF-QGZVFWFLSA-N 1 2 375.472 4.173 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000185955043 822836807 /nfs/dbraw/zinc/83/68/07/822836807.db2.gz OFTCHUSKAMXBQH-AAEUAGOBSA-N 1 2 383.439 4.180 20 0 GIADLO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185957737 822837327 /nfs/dbraw/zinc/83/73/27/822837327.db2.gz GHASQBJFYXTIPY-SNVBAGLBSA-N 1 2 376.400 4.345 20 0 GIADLO CC[C@@H]([NH2+]Cc1ccc(C(=O)OC)cc1F)c1nc(C(F)(F)F)cs1 ZINC000185959024 822837500 /nfs/dbraw/zinc/83/75/00/822837500.db2.gz UICVEBJSUJJWTA-GFCCVEGCSA-N 1 2 376.375 4.329 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1nc(C(F)(F)F)cs1 ZINC000185971994 822839507 /nfs/dbraw/zinc/83/95/07/822839507.db2.gz VTWAUEKJRKTUPU-ZDUSSCGKSA-N 1 2 383.439 4.182 20 0 GIADLO Cc1cc(N)nc(SCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)[nH+]1 ZINC000053562133 822840853 /nfs/dbraw/zinc/84/08/53/822840853.db2.gz VZNZXQSNPVFNDG-KRWDZBQOSA-N 1 2 384.549 4.121 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(Br)cc(F)c1O ZINC000185986331 822841320 /nfs/dbraw/zinc/84/13/20/822841320.db2.gz GMZRKDWKBGDROA-LLVKDONJSA-N 1 2 379.229 4.047 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000053604486 822842545 /nfs/dbraw/zinc/84/25/45/822842545.db2.gz HUCNBSWNXBMLGL-QGZVFWFLSA-N 1 2 383.542 4.480 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000053604486 822842549 /nfs/dbraw/zinc/84/25/49/822842549.db2.gz HUCNBSWNXBMLGL-QGZVFWFLSA-N 1 2 383.542 4.480 20 0 GIADLO C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[C@H]1c1ccccc1 ZINC000174862718 822848181 /nfs/dbraw/zinc/84/81/81/822848181.db2.gz UHEQPUQSTXVMCX-WIYYLYMNSA-N 1 2 378.520 4.017 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1sccc1-n1cccc1 ZINC000174894506 822851866 /nfs/dbraw/zinc/85/18/66/822851866.db2.gz OVBFQXYEICHUEE-UHFFFAOYSA-N 1 2 394.544 4.313 20 0 GIADLO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000186176993 822858293 /nfs/dbraw/zinc/85/82/93/822858293.db2.gz LKSKXJXXGCJBLL-SNVBAGLBSA-N 1 2 384.293 4.003 20 0 GIADLO CN(C(=O)C[N@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1)C1CCCCC1 ZINC000054174915 822865967 /nfs/dbraw/zinc/86/59/67/822865967.db2.gz JHQPUGFWJQQUBU-UHFFFAOYSA-N 1 2 393.531 4.162 20 0 GIADLO CN(C(=O)C[N@@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1)C1CCCCC1 ZINC000054174915 822865970 /nfs/dbraw/zinc/86/59/70/822865970.db2.gz JHQPUGFWJQQUBU-UHFFFAOYSA-N 1 2 393.531 4.162 20 0 GIADLO COc1cc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1OC(C)C ZINC000186269902 822867672 /nfs/dbraw/zinc/86/76/72/822867672.db2.gz AZFLIIFKWYFLAL-UHFFFAOYSA-N 1 2 394.475 4.049 20 0 GIADLO O=S1(=O)CC[C@H]([NH2+]C(c2cccs2)c2cccs2)c2ccccc21 ZINC000186280200 822869548 /nfs/dbraw/zinc/86/95/48/822869548.db2.gz GDFPCCHPZDUIMQ-AWEZNQCLSA-N 1 2 375.540 4.407 20 0 GIADLO CC1(C)C[NH+](CC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)C1 ZINC000569016952 822870103 /nfs/dbraw/zinc/87/01/03/822870103.db2.gz HHWCRMOKVWIMRV-UHFFFAOYSA-N 1 2 379.382 4.173 20 0 GIADLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2csc(C(C)C)n2)cc1 ZINC000186283899 822870416 /nfs/dbraw/zinc/87/04/16/822870416.db2.gz YGOFLOZIVSPLAB-HNNXBMFYSA-N 1 2 395.594 4.148 20 0 GIADLO CSc1cccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000054295135 822873632 /nfs/dbraw/zinc/87/36/32/822873632.db2.gz XAVLXKLRKYZQNH-UHFFFAOYSA-N 1 2 382.529 4.250 20 0 GIADLO CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000054297610 822873718 /nfs/dbraw/zinc/87/37/18/822873718.db2.gz LXCHSIJGVKJOIY-SFHVURJKSA-N 1 2 394.515 4.316 20 0 GIADLO O=S1(=O)CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-c3ccc(Cl)cc3)o1)C2 ZINC000569069631 822876506 /nfs/dbraw/zinc/87/65/06/822876506.db2.gz QQGRZTOTGAXTSA-LJQANCHMSA-N 1 2 379.909 4.001 20 0 GIADLO O=S1(=O)CC[C@]2(C1)CCC[N@H+](Cc1ccc(-c3ccc(Cl)cc3)o1)C2 ZINC000569069631 822876511 /nfs/dbraw/zinc/87/65/11/822876511.db2.gz QQGRZTOTGAXTSA-LJQANCHMSA-N 1 2 379.909 4.001 20 0 GIADLO Cc1cc(NC(=O)C2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)no1 ZINC000054359858 822878350 /nfs/dbraw/zinc/87/83/50/822878350.db2.gz AVNBCCIKGSHHHW-UHFFFAOYSA-N 1 2 388.518 4.019 20 0 GIADLO CC(C)Oc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000457486679 822880648 /nfs/dbraw/zinc/88/06/48/822880648.db2.gz ZBRAOUOJCORZLK-UHFFFAOYSA-N 1 2 388.895 4.212 20 0 GIADLO CC(C)(C)[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc(C(F)(F)F)c1 ZINC000569123961 822881625 /nfs/dbraw/zinc/88/16/25/822881625.db2.gz QTMQQDNPZZOUOD-RHSMWYFYSA-N 1 2 379.426 4.368 20 0 GIADLO CC(C)Oc1ncccc1-c1noc([C@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000569155074 822885018 /nfs/dbraw/zinc/88/50/18/822885018.db2.gz YMRXJWPJJDPORM-SFHVURJKSA-N 1 2 396.516 4.057 20 0 GIADLO CCCc1ccc([C@H](NC(=O)NCCc2cn(C)c[nH+]2)c2cccs2)cc1 ZINC000457545564 822888617 /nfs/dbraw/zinc/88/86/17/822888617.db2.gz WJWGKQSKWOQRBK-FQEVSTJZSA-N 1 2 382.533 4.065 20 0 GIADLO C[C@@H](CC(F)(F)F)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457549272 822889111 /nfs/dbraw/zinc/88/91/11/822889111.db2.gz CGOOHUCVFSBKHH-SMDDNHRTSA-N 1 2 380.813 4.148 20 0 GIADLO C[C@@H](CC(F)(F)F)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457549272 822889115 /nfs/dbraw/zinc/88/91/15/822889115.db2.gz CGOOHUCVFSBKHH-SMDDNHRTSA-N 1 2 380.813 4.148 20 0 GIADLO C[C@H](CC(F)(F)F)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457549271 822889214 /nfs/dbraw/zinc/88/92/14/822889214.db2.gz CGOOHUCVFSBKHH-RISCZKNCSA-N 1 2 380.813 4.148 20 0 GIADLO C[C@H](CC(F)(F)F)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000457549271 822889220 /nfs/dbraw/zinc/88/92/20/822889220.db2.gz CGOOHUCVFSBKHH-RISCZKNCSA-N 1 2 380.813 4.148 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000457551504 822889707 /nfs/dbraw/zinc/88/97/07/822889707.db2.gz FNSSIHVMLCUYTP-MSYCTHLASA-N 1 2 388.515 4.408 20 0 GIADLO CC[C@H](Oc1ccccc1F)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000175181093 822898901 /nfs/dbraw/zinc/89/89/01/822898901.db2.gz DJWONZONGSHBPP-INIZCTEOSA-N 1 2 377.485 4.064 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457663217 822903117 /nfs/dbraw/zinc/90/31/17/822903117.db2.gz HLDZCCJBWFVAPU-DNVFCKCGSA-N 1 2 388.515 4.408 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457663219 822903181 /nfs/dbraw/zinc/90/31/81/822903181.db2.gz HLDZCCJBWFVAPU-MSYCTHLASA-N 1 2 388.515 4.408 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccnc1OC(C)C ZINC000175203973 822903646 /nfs/dbraw/zinc/90/36/46/822903646.db2.gz RHEJQEFFHGQWLG-UHFFFAOYSA-N 1 2 397.523 4.034 20 0 GIADLO CN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000457691076 822907282 /nfs/dbraw/zinc/90/72/82/822907282.db2.gz YFMYKNPQKCDERM-PKTZIBPZSA-N 1 2 388.515 4.409 20 0 GIADLO C[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1c1cccc(F)c1 ZINC000175234067 822910537 /nfs/dbraw/zinc/91/05/37/822910537.db2.gz ZRRFCVYUFXDOFF-IIBYNOLFSA-N 1 2 382.483 4.114 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000175241431 822912067 /nfs/dbraw/zinc/91/20/67/822912067.db2.gz WEBKVCRMDNOWLX-IBGZPJMESA-N 1 2 380.536 4.399 20 0 GIADLO CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1 ZINC000569387697 822914641 /nfs/dbraw/zinc/91/46/41/822914641.db2.gz CASSSWSAGUQUNZ-UHFFFAOYSA-N 1 2 385.489 4.040 20 0 GIADLO O=C(NCCCc1cccc(Cl)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000569403467 822917577 /nfs/dbraw/zinc/91/75/77/822917577.db2.gz FRVMVHPGSPJWSU-UHFFFAOYSA-N 1 2 388.943 4.371 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457778857 822918536 /nfs/dbraw/zinc/91/85/36/822918536.db2.gz TTZRMNXYTHNYGM-DNVFCKCGSA-N 1 2 388.515 4.408 20 0 GIADLO C[C@@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1cccc(F)c1 ZINC000175262769 822918520 /nfs/dbraw/zinc/91/85/20/822918520.db2.gz WKCQVMZRPXNPMU-VGSWGCGISA-N 1 2 392.478 4.363 20 0 GIADLO C[C@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1cccc(F)c1 ZINC000175262786 822918579 /nfs/dbraw/zinc/91/85/79/822918579.db2.gz WKCQVMZRPXNPMU-JTSKRJEESA-N 1 2 392.478 4.363 20 0 GIADLO Cc1ncsc1/C=C/C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000186592878 822919615 /nfs/dbraw/zinc/91/96/15/822919615.db2.gz XYEWZMWXHRYROP-KIUWMYQTSA-N 1 2 375.925 4.024 20 0 GIADLO CC(C)[C@H](NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000054886493 822919841 /nfs/dbraw/zinc/91/98/41/822919841.db2.gz DWAVGVJNNVSOQZ-QHCPKHFHSA-N 1 2 396.506 4.234 20 0 GIADLO Cc1cc(C(=O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(C)n1Cc1ccco1 ZINC000186606113 822922606 /nfs/dbraw/zinc/92/26/06/822922606.db2.gz JSRZZIMVHABQOQ-DEOSSOPVSA-N 1 2 390.483 4.060 20 0 GIADLO Cc1cc(C(=O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(C)n1Cc1ccco1 ZINC000186606113 822922607 /nfs/dbraw/zinc/92/26/07/822922607.db2.gz JSRZZIMVHABQOQ-DEOSSOPVSA-N 1 2 390.483 4.060 20 0 GIADLO Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+](C)Cc1nccs1)c1ccccc1 ZINC000175300777 822929083 /nfs/dbraw/zinc/92/90/83/822929083.db2.gz JWJOWMDEIIBNSV-SIKLNZKXSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+](C)Cc1nccs1)c1ccccc1 ZINC000175300777 822929085 /nfs/dbraw/zinc/92/90/85/822929085.db2.gz JWJOWMDEIIBNSV-SIKLNZKXSA-N 1 2 382.529 4.050 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N(Cc1ccco1)Cc1ccco1 ZINC000569508766 822931818 /nfs/dbraw/zinc/93/18/18/822931818.db2.gz PSRKFIYGOKYMJS-UHFFFAOYSA-N 1 2 390.443 4.029 20 0 GIADLO O=C(CC1CCCC1)NC1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000569537842 822936551 /nfs/dbraw/zinc/93/65/51/822936551.db2.gz WDRYHGPTPQNUHZ-UHFFFAOYSA-N 1 2 384.442 4.072 20 0 GIADLO Cc1sc(C2(NC(=O)CCc3c[nH+]cn3C)CCC2)nc1-c1ccccc1F ZINC000569731848 822960086 /nfs/dbraw/zinc/96/00/86/822960086.db2.gz ASCUXOXAROBVIE-UHFFFAOYSA-N 1 2 398.507 4.119 20 0 GIADLO O=C([C@H](Sc1ccccc1Cl)c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000569775778 822967237 /nfs/dbraw/zinc/96/72/37/822967237.db2.gz HIPOUWQJACIXQF-LJQANCHMSA-N 1 2 383.904 4.412 20 0 GIADLO CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175432884 822967354 /nfs/dbraw/zinc/96/73/54/822967354.db2.gz OXGZDWHGBHZEMO-QFIPXVFZSA-N 1 2 376.504 4.094 20 0 GIADLO CCc1nc(C(C)C)ccc1C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000569816680 822972311 /nfs/dbraw/zinc/97/23/11/822972311.db2.gz BGVQWUUQRDNNPQ-UHFFFAOYSA-N 1 2 392.547 4.007 20 0 GIADLO CCc1nc(C(C)C)ccc1C[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000569816680 822972313 /nfs/dbraw/zinc/97/23/13/822972313.db2.gz BGVQWUUQRDNNPQ-UHFFFAOYSA-N 1 2 392.547 4.007 20 0 GIADLO O=C(C1CC[NH+](Cc2cnc(Cl)s2)CC1)N(Cc1ccccc1)C1CC1 ZINC000175452981 822972762 /nfs/dbraw/zinc/97/27/62/822972762.db2.gz VEOQTIPWNSGKCZ-UHFFFAOYSA-N 1 2 389.952 4.200 20 0 GIADLO O=C([C@@H]1CCCCCC(=O)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000569903103 822983769 /nfs/dbraw/zinc/98/37/69/822983769.db2.gz HYPHVMNCTQWKSS-GOSISDBHSA-N 1 2 387.911 4.105 20 0 GIADLO CC(C)OC1CC[NH+](Cc2ccc(I)c(Cl)c2)CC1 ZINC000569909796 822984937 /nfs/dbraw/zinc/98/49/37/822984937.db2.gz QYYUMXXXDUDMPC-UHFFFAOYSA-N 1 2 393.696 4.334 20 0 GIADLO COc1ccccc1[C@@H](C)CC(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000175554555 822996336 /nfs/dbraw/zinc/99/63/36/822996336.db2.gz VQJOYRUSDHNMNL-ROUUACIJSA-N 1 2 384.495 4.233 20 0 GIADLO Cc1ccc(OCc2ccccc2)c(NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000570031387 822999117 /nfs/dbraw/zinc/99/91/17/822999117.db2.gz BKZHLOYRFBWSKC-UHFFFAOYSA-N 1 2 378.476 4.372 20 0 GIADLO O=C(CCCc1nc2ccccc2s1)NCc1ccccc1-n1cc[nH+]c1 ZINC000055695875 823000044 /nfs/dbraw/zinc/00/00/44/823000044.db2.gz QIZNLFKKURLYKL-UHFFFAOYSA-N 1 2 376.485 4.121 20 0 GIADLO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ncc(Br)cc2F)cn1 ZINC000187035580 823001562 /nfs/dbraw/zinc/00/15/62/823001562.db2.gz RNYRADLYFCRJQU-GFCCVEGCSA-N 1 2 381.293 4.075 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000187035810 823001578 /nfs/dbraw/zinc/00/15/78/823001578.db2.gz XJYXSPPMPQHOEQ-KRWDZBQOSA-N 1 2 385.957 4.057 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000187035810 823001581 /nfs/dbraw/zinc/00/15/81/823001581.db2.gz XJYXSPPMPQHOEQ-KRWDZBQOSA-N 1 2 385.957 4.057 20 0 GIADLO Cc1cccc([C@H]2CCCN2C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000175582563 823001900 /nfs/dbraw/zinc/00/19/00/823001900.db2.gz BCGCAENLEMCCJE-OAQYLSRUSA-N 1 2 378.520 4.214 20 0 GIADLO O=C(CC[N@@H+]1CCSC[C@H]1c1nccs1)Nc1cccc2ccccc21 ZINC000187064296 823005643 /nfs/dbraw/zinc/00/56/43/823005643.db2.gz WQXSKTRNDDYVRL-SFHVURJKSA-N 1 2 383.542 4.415 20 0 GIADLO O=C(CC[N@H+]1CCSC[C@H]1c1nccs1)Nc1cccc2ccccc21 ZINC000187064296 823005647 /nfs/dbraw/zinc/00/56/47/823005647.db2.gz WQXSKTRNDDYVRL-SFHVURJKSA-N 1 2 383.542 4.415 20 0 GIADLO C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187074740 823007029 /nfs/dbraw/zinc/00/70/29/823007029.db2.gz LXGSUDRSPLPOAS-YWZLYKJASA-N 1 2 381.863 4.128 20 0 GIADLO C[C@H]1C[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC(C)(C)C1 ZINC000570124175 823007927 /nfs/dbraw/zinc/00/79/27/823007927.db2.gz XELJUJBBYCEOOO-CQSZACIVSA-N 1 2 378.563 4.082 20 0 GIADLO C[C@H]1C[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC(C)(C)C1 ZINC000570124175 823007930 /nfs/dbraw/zinc/00/79/30/823007930.db2.gz XELJUJBBYCEOOO-CQSZACIVSA-N 1 2 378.563 4.082 20 0 GIADLO COc1cc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)ccc1F ZINC000187087778 823008989 /nfs/dbraw/zinc/00/89/89/823008989.db2.gz ANRPTAYJRJQGIX-UYAOXDASSA-N 1 2 380.423 4.081 20 0 GIADLO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000187091881 823009722 /nfs/dbraw/zinc/00/97/22/823009722.db2.gz FHBBAGIQMBIXDH-CABCVRRESA-N 1 2 375.987 4.240 20 0 GIADLO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000187091881 823009723 /nfs/dbraw/zinc/00/97/23/823009723.db2.gz FHBBAGIQMBIXDH-CABCVRRESA-N 1 2 375.987 4.240 20 0 GIADLO Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1NC(=O)CC(C)C ZINC000175664659 823015716 /nfs/dbraw/zinc/01/57/16/823015716.db2.gz CYDNMXLNCOMADB-UHFFFAOYSA-N 1 2 390.487 4.095 20 0 GIADLO COc1ccccc1COc1cccc(NC(=O)C[C@H](C)n2cc[nH+]c2)c1C ZINC000570215512 823016081 /nfs/dbraw/zinc/01/60/81/823016081.db2.gz INGGFGXIZDKKSC-INIZCTEOSA-N 1 2 379.460 4.369 20 0 GIADLO CCc1ccc([C@@H](NC(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c2cccs2)cc1 ZINC000570219262 823016200 /nfs/dbraw/zinc/01/62/00/823016200.db2.gz JSCDQZFLMLTQFH-MGPUTAFESA-N 1 2 392.515 4.493 20 0 GIADLO CCc1ccc([C@@H](NC(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)c2cccs2)cc1 ZINC000570219262 823016204 /nfs/dbraw/zinc/01/62/04/823016204.db2.gz JSCDQZFLMLTQFH-MGPUTAFESA-N 1 2 392.515 4.493 20 0 GIADLO COc1cc(Br)ccc1CCC[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187220912 823026656 /nfs/dbraw/zinc/02/66/56/823026656.db2.gz AEUMVUAKMFGZMH-QHCPKHFHSA-N 1 2 396.350 4.351 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000570364924 823029640 /nfs/dbraw/zinc/02/96/40/823029640.db2.gz DCPUHYDSPBOXMX-ZWNOBZJWSA-N 1 2 389.418 4.219 20 0 GIADLO Cc1ccsc1[C@@H](CO)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000570376191 823031268 /nfs/dbraw/zinc/03/12/68/823031268.db2.gz OGLBZFMYJQQYED-GOSISDBHSA-N 1 2 396.516 4.111 20 0 GIADLO Cc1ccc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c(C)[nH+]1 ZINC000187283728 823036564 /nfs/dbraw/zinc/03/65/64/823036564.db2.gz VCUCGDOGXGALDJ-INIZCTEOSA-N 1 2 386.546 4.490 20 0 GIADLO C[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000570445627 823039685 /nfs/dbraw/zinc/03/96/85/823039685.db2.gz CFWQSRSRZGSEJF-TYCQWZJGSA-N 1 2 393.462 4.059 20 0 GIADLO CCCCn1c2nnc(SCc3ccc(C)[nH+]c3C)n2c2ccccc2c1=O ZINC000187304334 823040039 /nfs/dbraw/zinc/04/00/39/823040039.db2.gz IXCTXRDEIRVDBV-UHFFFAOYSA-N 1 2 393.516 4.148 20 0 GIADLO Cc1ccc(CSc2nnc(N3CCCCC3)n2Cc2ccco2)c(C)[nH+]1 ZINC000187332122 823044789 /nfs/dbraw/zinc/04/47/89/823044789.db2.gz NOWGWLWOWXXSNF-UHFFFAOYSA-N 1 2 383.521 4.214 20 0 GIADLO CCN(c1ccc(NC(=O)C[N@H+](C)Cc2ccc(OC)c(F)c2)cc1)C(C)C ZINC000060557542 823542225 /nfs/dbraw/zinc/54/22/25/823542225.db2.gz WZCPXSUUNGPJNR-UHFFFAOYSA-N 1 2 387.499 4.140 20 0 GIADLO CCN(c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)c(F)c2)cc1)C(C)C ZINC000060557542 823542228 /nfs/dbraw/zinc/54/22/28/823542228.db2.gz WZCPXSUUNGPJNR-UHFFFAOYSA-N 1 2 387.499 4.140 20 0 GIADLO CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc[nH+]c(C)c2)[C@@H]1c1ccccc1OC ZINC000123841621 823544748 /nfs/dbraw/zinc/54/47/48/823544748.db2.gz YMRLGGGDNVKYFC-KNQAVFIVSA-N 1 2 395.503 4.117 20 0 GIADLO Cc1nc(CC2CC2)sc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000190178092 823546990 /nfs/dbraw/zinc/54/69/90/823546990.db2.gz GRJIGCZYPODSSK-LBPRGKRZSA-N 1 2 390.578 4.345 20 0 GIADLO Cc1nc(CC2CC2)sc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000190178092 823546991 /nfs/dbraw/zinc/54/69/91/823546991.db2.gz GRJIGCZYPODSSK-LBPRGKRZSA-N 1 2 390.578 4.345 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CC[C@@H](C(F)(F)F)C(C)(C)C3)n2)c(OC)c1 ZINC000190194267 823549267 /nfs/dbraw/zinc/54/92/67/823549267.db2.gz HKHOZTSEFJJRJE-OAHLLOKOSA-N 1 2 399.413 4.164 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CC[C@@H](C(F)(F)F)C(C)(C)C3)n2)c(OC)c1 ZINC000190194267 823549269 /nfs/dbraw/zinc/54/92/69/823549269.db2.gz HKHOZTSEFJJRJE-OAHLLOKOSA-N 1 2 399.413 4.164 20 0 GIADLO CCC(CC)[C@@H](C(=O)Nc1ccc(Oc2cccnc2)c(C)c1)[NH+]1CCOCC1 ZINC000460952093 823549505 /nfs/dbraw/zinc/54/95/05/823549505.db2.gz AIBTWNITJDLOCY-QFIPXVFZSA-N 1 2 397.519 4.258 20 0 GIADLO C[C@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccc(F)c(F)c1 ZINC000460965059 823552101 /nfs/dbraw/zinc/55/21/01/823552101.db2.gz BQPLYVHKHIINPB-ZDUSSCGKSA-N 1 2 379.476 4.395 20 0 GIADLO CC[N@H+](Cc1ccc(OCc2cccs2)c(OC)c1)[C@@H](C)c1nnc(C)[nH]1 ZINC000411155041 823552548 /nfs/dbraw/zinc/55/25/48/823552548.db2.gz MADMIANCKSYQSG-AWEZNQCLSA-N 1 2 386.521 4.345 20 0 GIADLO CC[N@@H+](Cc1ccc(OCc2cccs2)c(OC)c1)[C@@H](C)c1nnc(C)[nH]1 ZINC000411155041 823552549 /nfs/dbraw/zinc/55/25/49/823552549.db2.gz MADMIANCKSYQSG-AWEZNQCLSA-N 1 2 386.521 4.345 20 0 GIADLO COCCSc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)cc1 ZINC000123951247 823554658 /nfs/dbraw/zinc/55/46/58/823554658.db2.gz URJMDVXPUIQUFH-HUUCEWRRSA-N 1 2 384.505 4.282 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)c(C)[nH+]1 ZINC000411237946 823559628 /nfs/dbraw/zinc/55/96/28/823559628.db2.gz HYSHIHAVETURGH-NSHDSACASA-N 1 2 380.275 4.130 20 0 GIADLO CC(C)(C(=O)NCCCCNc1cccc[nH+]1)c1ccc(OC(F)(F)F)cc1 ZINC000190305071 823561088 /nfs/dbraw/zinc/56/10/88/823561088.db2.gz BCKHFNOYCUYFCZ-UHFFFAOYSA-N 1 2 395.425 4.266 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000411267479 823561110 /nfs/dbraw/zinc/56/11/10/823561110.db2.gz DICNAYXLKNMWPG-VQTJNVASSA-N 1 2 379.891 4.047 20 0 GIADLO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411275366 823561711 /nfs/dbraw/zinc/56/17/11/823561711.db2.gz RDFUJSJZVVRZAN-LJQANCHMSA-N 1 2 397.519 4.248 20 0 GIADLO CNc1ccc(Nc2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)c[nH+]1 ZINC000060860021 823563043 /nfs/dbraw/zinc/56/30/43/823563043.db2.gz BULMEKXCNDWCBC-UHFFFAOYSA-N 1 2 389.488 4.207 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)c(C)[nH+]1 ZINC000411301084 823563274 /nfs/dbraw/zinc/56/32/74/823563274.db2.gz CPUZNTAFLGBFOL-GOSISDBHSA-N 1 2 389.446 4.127 20 0 GIADLO CCn1nccc1C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000124052288 823563328 /nfs/dbraw/zinc/56/33/28/823563328.db2.gz KJGCKTBDUWURHS-UHFFFAOYSA-N 1 2 375.476 4.105 20 0 GIADLO CCn1nccc1C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000124052288 823563329 /nfs/dbraw/zinc/56/33/29/823563329.db2.gz KJGCKTBDUWURHS-UHFFFAOYSA-N 1 2 375.476 4.105 20 0 GIADLO CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000411308833 823563812 /nfs/dbraw/zinc/56/38/12/823563812.db2.gz IUIUHVVSPQTXSK-KRWDZBQOSA-N 1 2 398.894 4.220 20 0 GIADLO C[C@@H](CC(F)F)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000411314597 823563975 /nfs/dbraw/zinc/56/39/75/823563975.db2.gz DZWLYJNYHSQCNS-AWEZNQCLSA-N 1 2 396.478 4.490 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NCc3cnc(C(C)(C)C)s3)CCCC2)no1 ZINC000124063184 823564479 /nfs/dbraw/zinc/56/44/79/823564479.db2.gz JPDQYTMVMIQHLI-UHFFFAOYSA-N 1 2 391.585 4.225 20 0 GIADLO COc1cc2c(c(C[NH2+][C@@H](C)c3nc(-c4ccncc4)cs3)c1)O[C@H](C)C2 ZINC000124074422 823565315 /nfs/dbraw/zinc/56/53/15/823565315.db2.gz MXNFMYHMTOQECK-KGLIPLIRSA-N 1 2 381.501 4.388 20 0 GIADLO CCOc1ccc(C[NH2+][C@@H](c2ccccn2)c2ccccc2OC)cc1OC ZINC000124092189 823566986 /nfs/dbraw/zinc/56/69/86/823566986.db2.gz RXQNMSGHGMBYMT-HSZRJFAPSA-N 1 2 378.472 4.377 20 0 GIADLO CC[C@](C)([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)c1nccs1 ZINC000411396266 823569890 /nfs/dbraw/zinc/56/98/90/823569890.db2.gz WRXMPKORMYMZGV-INIZCTEOSA-N 1 2 378.548 4.182 20 0 GIADLO COc1ccc([C@H]([NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)c2ccccc2)cc1 ZINC000060995821 823571715 /nfs/dbraw/zinc/57/17/15/823571715.db2.gz CTEUTFGDOVSRBY-DNQXCXABSA-N 1 2 386.495 4.394 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)CSc3ccc(F)cc3F)n2)CC1 ZINC000061057832 823575922 /nfs/dbraw/zinc/57/59/22/823575922.db2.gz OCHDMSLCGPOLCA-UHFFFAOYSA-N 1 2 397.516 4.384 20 0 GIADLO CC[C@]1(C)Oc2ccc(NC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)cc2O1 ZINC000190449896 823575959 /nfs/dbraw/zinc/57/59/59/823575959.db2.gz SRKMEVZVMWKHRX-JOCHJYFZSA-N 1 2 392.459 4.151 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2nc(N)c3ccccc3n2)ccc1OC1CCCC1 ZINC000411457700 823576832 /nfs/dbraw/zinc/57/68/32/823576832.db2.gz WUACIBSCGPTAIJ-OAHLLOKOSA-N 1 2 392.503 4.223 20 0 GIADLO CCCO[C@@H]1CCCN(c2cc(N3CCC[C@H](OCCC)CC3)nc[nH+]2)CC1 ZINC000124225450 823578984 /nfs/dbraw/zinc/57/89/84/823578984.db2.gz PJDXUGDOOIHLDX-BGYRXZFFSA-N 1 2 390.572 4.048 20 0 GIADLO CCCO[C@@H]1CCCN(c2cc(N3CCC[C@H](OCCC)CC3)[nH+]cn2)CC1 ZINC000124225450 823578987 /nfs/dbraw/zinc/57/89/87/823578987.db2.gz PJDXUGDOOIHLDX-BGYRXZFFSA-N 1 2 390.572 4.048 20 0 GIADLO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c1C ZINC000411532979 823585504 /nfs/dbraw/zinc/58/55/04/823585504.db2.gz NFVRUMJFERMJGB-AWEZNQCLSA-N 1 2 397.500 4.075 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190562896 823586866 /nfs/dbraw/zinc/58/68/66/823586866.db2.gz SJYRAPQWQALMHG-AWEZNQCLSA-N 1 2 391.874 4.053 20 0 GIADLO CC(C)=CCNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000190605988 823590762 /nfs/dbraw/zinc/59/07/62/823590762.db2.gz OUKGPVHVUFDRCD-UHFFFAOYSA-N 1 2 378.879 4.244 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cc(F)cc(F)c2Br)C[C@@H]1n1cc[nH+]c1 ZINC000190644537 823594616 /nfs/dbraw/zinc/59/46/16/823594616.db2.gz QZCGCGLECBCIBQ-YGRLFVJLSA-N 1 2 399.239 4.039 20 0 GIADLO Clc1ccc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1Br ZINC000411661217 823595507 /nfs/dbraw/zinc/59/55/07/823595507.db2.gz CUDJSBSSPXXRIY-OAHLLOKOSA-N 1 2 381.701 4.289 20 0 GIADLO Clc1ccc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc1Br ZINC000411661217 823595510 /nfs/dbraw/zinc/59/55/10/823595510.db2.gz CUDJSBSSPXXRIY-OAHLLOKOSA-N 1 2 381.701 4.289 20 0 GIADLO CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[C@H](C)CC)CC2)[nH]1 ZINC000190670707 823596923 /nfs/dbraw/zinc/59/69/23/823596923.db2.gz KQHIWANZALEPLC-CVEARBPZSA-N 1 2 383.540 4.087 20 0 GIADLO CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[C@H](C)CC)CC2)n1 ZINC000190670707 823596926 /nfs/dbraw/zinc/59/69/26/823596926.db2.gz KQHIWANZALEPLC-CVEARBPZSA-N 1 2 383.540 4.087 20 0 GIADLO CCc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[C@H](C)CC)CC2)n[nH]1 ZINC000190670707 823596930 /nfs/dbraw/zinc/59/69/30/823596930.db2.gz KQHIWANZALEPLC-CVEARBPZSA-N 1 2 383.540 4.087 20 0 GIADLO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccco1 ZINC000061495108 823599743 /nfs/dbraw/zinc/59/97/43/823599743.db2.gz YCRKGOFJGHHPNL-OAQYLSRUSA-N 1 2 390.483 4.329 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccnc2)no1)c1ccc(OCC2CC2)c(F)c1 ZINC000124480533 823600348 /nfs/dbraw/zinc/60/03/48/823600348.db2.gz VBVKIJDXAOMOPO-KGLIPLIRSA-N 1 2 382.439 4.471 20 0 GIADLO CC(C)Oc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000124529764 823604097 /nfs/dbraw/zinc/60/40/97/823604097.db2.gz IOTWJIMWVBLSEI-UHFFFAOYSA-N 1 2 384.402 4.243 20 0 GIADLO CCC(CC)c1nnc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)s1 ZINC000124544985 823605134 /nfs/dbraw/zinc/60/51/34/823605134.db2.gz XYRDFAPJOBOBID-UHFFFAOYSA-N 1 2 388.541 4.149 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[C@H](c3ccccc3)C[C@H](C)C2)c(C)[nH+]1 ZINC000411822084 823608552 /nfs/dbraw/zinc/60/85/52/823608552.db2.gz RUZOZVAYCDFZGY-VHKYSDTDSA-N 1 2 379.504 4.034 20 0 GIADLO Cc1cc(-n2cccn2)ccc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000190806821 823611402 /nfs/dbraw/zinc/61/14/02/823611402.db2.gz DQCIWBGKAYENPF-QGZVFWFLSA-N 1 2 395.532 4.153 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(I)cc1Cl)c1nccs1 ZINC000411880862 823612332 /nfs/dbraw/zinc/61/23/32/823612332.db2.gz JXZUFGABMYGWHA-QMMMGPOBSA-N 1 2 378.666 4.252 20 0 GIADLO C[N@H+](CC1CCOCC1)Cn1nc(SCc2ccc(F)cc2)sc1=S ZINC000124652580 823614435 /nfs/dbraw/zinc/61/44/35/823614435.db2.gz NADIFSYJBOLLNR-UHFFFAOYSA-N 1 2 399.582 4.421 20 0 GIADLO C[N@@H+](CC1CCOCC1)Cn1nc(SCc2ccc(F)cc2)sc1=S ZINC000124652580 823614438 /nfs/dbraw/zinc/61/44/38/823614438.db2.gz NADIFSYJBOLLNR-UHFFFAOYSA-N 1 2 399.582 4.421 20 0 GIADLO CC(=O)c1ccc2c(c1)C[N@@H+](CCCc1nc(-c3ccc(C)c(F)c3)no1)C2 ZINC000411933476 823614976 /nfs/dbraw/zinc/61/49/76/823614976.db2.gz CXKMRIMTLNUAQX-UHFFFAOYSA-N 1 2 379.435 4.335 20 0 GIADLO CC(=O)c1ccc2c(c1)C[N@H+](CCCc1nc(-c3ccc(C)c(F)c3)no1)C2 ZINC000411933476 823614978 /nfs/dbraw/zinc/61/49/78/823614978.db2.gz CXKMRIMTLNUAQX-UHFFFAOYSA-N 1 2 379.435 4.335 20 0 GIADLO COc1ccc(OCc2nc(C[N@@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cs2)cc1 ZINC000411952247 823616052 /nfs/dbraw/zinc/61/60/52/823616052.db2.gz SISSQVWZAZFXQO-WIYYLYMNSA-N 1 2 396.512 4.039 20 0 GIADLO COc1ccc(OCc2nc(C[N@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cs2)cc1 ZINC000411952247 823616056 /nfs/dbraw/zinc/61/60/56/823616056.db2.gz SISSQVWZAZFXQO-WIYYLYMNSA-N 1 2 396.512 4.039 20 0 GIADLO COc1ccc(OCc2nc(C[N@@H+]3C[C@H](O)C[C@H]3c3ccccc3)cs2)cc1 ZINC000411952245 823616084 /nfs/dbraw/zinc/61/60/84/823616084.db2.gz SISSQVWZAZFXQO-NQIIRXRSSA-N 1 2 396.512 4.039 20 0 GIADLO COc1ccc(OCc2nc(C[N@H+]3C[C@H](O)C[C@H]3c3ccccc3)cs2)cc1 ZINC000411952245 823616087 /nfs/dbraw/zinc/61/60/87/823616087.db2.gz SISSQVWZAZFXQO-NQIIRXRSSA-N 1 2 396.512 4.039 20 0 GIADLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412010740 823622300 /nfs/dbraw/zinc/62/23/00/823622300.db2.gz JCPYRJIXRPWRNC-QFIPXVFZSA-N 1 2 399.556 4.013 20 0 GIADLO Cc1cccc(S(=O)(=O)CCC[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412010740 823622302 /nfs/dbraw/zinc/62/23/02/823622302.db2.gz JCPYRJIXRPWRNC-QFIPXVFZSA-N 1 2 399.556 4.013 20 0 GIADLO C[C@@H](c1cccc(NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)c1)[NH+]1CCOCC1 ZINC000412021829 823623193 /nfs/dbraw/zinc/62/31/93/823623193.db2.gz POOBPNKGNWHHHZ-UWJYYQICSA-N 1 2 394.515 4.363 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N(C)c2nc3ccccc3s2)cc1Cl ZINC000412045173 823624106 /nfs/dbraw/zinc/62/41/06/823624106.db2.gz RKGFUOSHGJQUQO-UHFFFAOYSA-N 1 2 389.908 4.053 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N(C)c2nc3ccccc3s2)cc1Cl ZINC000412045173 823624109 /nfs/dbraw/zinc/62/41/09/823624109.db2.gz RKGFUOSHGJQUQO-UHFFFAOYSA-N 1 2 389.908 4.053 20 0 GIADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412059326 823624833 /nfs/dbraw/zinc/62/48/33/823624833.db2.gz CFDMHQDYIFWKHP-HUUCEWRRSA-N 1 2 396.478 4.126 20 0 GIADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412059326 823624834 /nfs/dbraw/zinc/62/48/34/823624834.db2.gz CFDMHQDYIFWKHP-HUUCEWRRSA-N 1 2 396.478 4.126 20 0 GIADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)n1 ZINC000412071233 823625524 /nfs/dbraw/zinc/62/55/24/823625524.db2.gz PGVOJBMOLJOCFW-GJZGRUSLSA-N 1 2 383.558 4.218 20 0 GIADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)n1 ZINC000412071233 823625525 /nfs/dbraw/zinc/62/55/25/823625525.db2.gz PGVOJBMOLJOCFW-GJZGRUSLSA-N 1 2 383.558 4.218 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cs1)c1cccc(C)c1C ZINC000412074675 823625772 /nfs/dbraw/zinc/62/57/72/823625772.db2.gz IRBDVFQWBKNVSD-FUHWJXTLSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cs1)c1cccc(C)c1C ZINC000412074675 823625774 /nfs/dbraw/zinc/62/57/74/823625774.db2.gz IRBDVFQWBKNVSD-FUHWJXTLSA-N 1 2 387.549 4.037 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)Cc2cnccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000412233860 823638007 /nfs/dbraw/zinc/63/80/07/823638007.db2.gz OWGDRZRZMJYLDA-HKUYNNGSSA-N 1 2 396.293 4.022 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)Cc2cnccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000412233860 823638011 /nfs/dbraw/zinc/63/80/11/823638011.db2.gz OWGDRZRZMJYLDA-HKUYNNGSSA-N 1 2 396.293 4.022 20 0 GIADLO O=C(NCC1(c2ccc(F)cc2Cl)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000124963869 823640961 /nfs/dbraw/zinc/64/09/61/823640961.db2.gz BDRGDJMJCGNMCE-UHFFFAOYSA-N 1 2 383.854 4.186 20 0 GIADLO C[C@@H](c1cccc(Cl)c1)[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000062640464 823642833 /nfs/dbraw/zinc/64/28/33/823642833.db2.gz IEGBBTYTHYQHSA-AWEZNQCLSA-N 1 2 388.924 4.330 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)c3csc(-c4cccc(Cl)c4)n3)sc2C1 ZINC000125059572 823648912 /nfs/dbraw/zinc/64/89/12/823648912.db2.gz RTKUSJWMWUCUTK-UHFFFAOYSA-N 1 2 390.921 4.160 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)c3csc(-c4cccc(Cl)c4)n3)sc2C1 ZINC000125059572 823648914 /nfs/dbraw/zinc/64/89/14/823648914.db2.gz RTKUSJWMWUCUTK-UHFFFAOYSA-N 1 2 390.921 4.160 20 0 GIADLO CN(c1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1)C1CCCCC1 ZINC000062932896 823649783 /nfs/dbraw/zinc/64/97/83/823649783.db2.gz KHNFQNCFSIIKFQ-UHFFFAOYSA-N 1 2 395.551 4.152 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2[C@H](C)CC(O)C[C@@H]2C)cs1 ZINC000191139594 823653187 /nfs/dbraw/zinc/65/31/87/823653187.db2.gz OXMCDZKOUWLUQB-RTHVDDQRSA-N 1 2 387.549 4.124 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2[C@H](C)CC(O)C[C@@H]2C)cs1 ZINC000191139594 823653190 /nfs/dbraw/zinc/65/31/90/823653190.db2.gz OXMCDZKOUWLUQB-RTHVDDQRSA-N 1 2 387.549 4.124 20 0 GIADLO CC[C@@H](C)Oc1cccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000063164648 823653900 /nfs/dbraw/zinc/65/39/00/823653900.db2.gz ZFUZQTQSBDCMDI-LJQANCHMSA-N 1 2 397.519 4.092 20 0 GIADLO CC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1Cl ZINC000063286383 823660034 /nfs/dbraw/zinc/66/00/34/823660034.db2.gz DRFIUZBMDHMYOU-UHFFFAOYSA-N 1 2 381.925 4.035 20 0 GIADLO CC[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1Cl ZINC000063286383 823660035 /nfs/dbraw/zinc/66/00/35/823660035.db2.gz DRFIUZBMDHMYOU-UHFFFAOYSA-N 1 2 381.925 4.035 20 0 GIADLO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000191279387 823666781 /nfs/dbraw/zinc/66/67/81/823666781.db2.gz XTLQOTHFAAJKDY-NHYWBVRUSA-N 1 2 383.279 4.314 20 0 GIADLO Cc1ccc(Br)c(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000412640998 823669554 /nfs/dbraw/zinc/66/95/54/823669554.db2.gz MTGOHTXZUZAKFR-CYBMUJFWSA-N 1 2 390.325 4.025 20 0 GIADLO Cc1ccc(Br)c(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000412640998 823669555 /nfs/dbraw/zinc/66/95/55/823669555.db2.gz MTGOHTXZUZAKFR-CYBMUJFWSA-N 1 2 390.325 4.025 20 0 GIADLO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000125350562 823669993 /nfs/dbraw/zinc/66/99/93/823669993.db2.gz POZKBSIAPHPFLX-LAUBAEHRSA-N 1 2 392.478 4.158 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000125447664 823676864 /nfs/dbraw/zinc/67/68/64/823676864.db2.gz WCGPOYRNFXBHHI-DENIHFKCSA-N 1 2 395.503 4.325 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000125447664 823676866 /nfs/dbraw/zinc/67/68/66/823676866.db2.gz WCGPOYRNFXBHHI-DENIHFKCSA-N 1 2 395.503 4.325 20 0 GIADLO CCc1nc(CSc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)no1 ZINC000063648932 823686599 /nfs/dbraw/zinc/68/65/99/823686599.db2.gz NBRGGVRMUGCSPN-UHFFFAOYSA-N 1 2 389.550 4.142 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000063663071 823687671 /nfs/dbraw/zinc/68/76/71/823687671.db2.gz FYCNMSJMQTVLEB-UHFFFAOYSA-N 1 2 390.274 4.149 20 0 GIADLO O=C(NCCNc1cccc[nH+]1)c1cc2ccccc2n1Cc1ccccc1F ZINC000063704597 823690048 /nfs/dbraw/zinc/69/00/48/823690048.db2.gz XMIXSESBBPNUCS-UHFFFAOYSA-N 1 2 388.446 4.066 20 0 GIADLO Clc1sc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1Br ZINC000191503901 823692513 /nfs/dbraw/zinc/69/25/13/823692513.db2.gz FWBHGILIOFBJRM-UHFFFAOYSA-N 1 2 382.776 4.262 20 0 GIADLO Clc1sc(C[N@H+]2CCSC3(CCOCC3)C2)cc1Br ZINC000191503901 823692515 /nfs/dbraw/zinc/69/25/15/823692515.db2.gz FWBHGILIOFBJRM-UHFFFAOYSA-N 1 2 382.776 4.262 20 0 GIADLO COc1ccccc1-c1csc(C2CC[NH+](CC(=O)c3cccn3C)CC2)n1 ZINC000191509068 823693418 /nfs/dbraw/zinc/69/34/18/823693418.db2.gz NSOHFOGEZSHSNF-UHFFFAOYSA-N 1 2 395.528 4.220 20 0 GIADLO COCC[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1ccc(C#N)cc1 ZINC000063754094 823693584 /nfs/dbraw/zinc/69/35/84/823693584.db2.gz SLLTXLRIKSMOGC-UHFFFAOYSA-N 1 2 399.494 4.312 20 0 GIADLO COCC[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1ccc(C#N)cc1 ZINC000063754094 823693585 /nfs/dbraw/zinc/69/35/85/823693585.db2.gz SLLTXLRIKSMOGC-UHFFFAOYSA-N 1 2 399.494 4.312 20 0 GIADLO O=C(C[N@H+]1CC=C(c2cccc3ccccc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000063762843 823694003 /nfs/dbraw/zinc/69/40/03/823694003.db2.gz OSTNNVCOTIWQTN-UHFFFAOYSA-N 1 2 387.439 4.476 20 0 GIADLO O=C(C[N@@H+]1CC=C(c2cccc3ccccc32)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000063762843 823694004 /nfs/dbraw/zinc/69/40/04/823694004.db2.gz OSTNNVCOTIWQTN-UHFFFAOYSA-N 1 2 387.439 4.476 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000125655607 823694160 /nfs/dbraw/zinc/69/41/60/823694160.db2.gz OPTMULMMVSANAC-OAHLLOKOSA-N 1 2 375.542 4.175 20 0 GIADLO CC(C)[N@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1cccnc1 ZINC000125689941 823696882 /nfs/dbraw/zinc/69/68/82/823696882.db2.gz XWVSWHKZLKAXTF-UHFFFAOYSA-N 1 2 387.281 4.305 20 0 GIADLO CC(C)[N@@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1cccnc1 ZINC000125689941 823696884 /nfs/dbraw/zinc/69/68/84/823696884.db2.gz XWVSWHKZLKAXTF-UHFFFAOYSA-N 1 2 387.281 4.305 20 0 GIADLO CC(C)[N@H+](Cc1nc(-c2ccc(Br)s2)no1)Cc1cccnc1 ZINC000125703516 823698140 /nfs/dbraw/zinc/69/81/40/823698140.db2.gz RIRXPVIEQNTKKS-UHFFFAOYSA-N 1 2 393.310 4.366 20 0 GIADLO CC(C)[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)Cc1cccnc1 ZINC000125703516 823698142 /nfs/dbraw/zinc/69/81/42/823698142.db2.gz RIRXPVIEQNTKKS-UHFFFAOYSA-N 1 2 393.310 4.366 20 0 GIADLO CC[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cc(F)ccc1F ZINC000125713782 823699356 /nfs/dbraw/zinc/69/93/56/823699356.db2.gz CMGLTJANVMDVEC-FQEVSTJZSA-N 1 2 398.457 4.203 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3cc(F)c(Cl)cc3Cl)[nH+]cn2)C1 ZINC000413031634 823700609 /nfs/dbraw/zinc/70/06/09/823700609.db2.gz XZZDVQQECNCJPC-SDDRHHMPSA-N 1 2 399.297 4.303 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3cc(F)c(Cl)cc3Cl)nc[nH+]2)C1 ZINC000413031634 823700610 /nfs/dbraw/zinc/70/06/10/823700610.db2.gz XZZDVQQECNCJPC-SDDRHHMPSA-N 1 2 399.297 4.303 20 0 GIADLO C[C@H]1CCN(C(=O)COC(c2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000125724650 823700571 /nfs/dbraw/zinc/70/05/71/823700571.db2.gz IEFFJWWEWBSONL-UGKGYDQZSA-N 1 2 389.499 4.099 20 0 GIADLO CCCCn1c2nn(C[N@@H+]3CCC[C@H]3C(C)C)c(=S)n2c2ccccc2c1=O ZINC000063858768 823703150 /nfs/dbraw/zinc/70/31/50/823703150.db2.gz SZPUZQONZRZBOA-KRWDZBQOSA-N 1 2 399.564 4.058 20 0 GIADLO CCCCn1c2nn(C[N@H+]3CCC[C@H]3C(C)C)c(=S)n2c2ccccc2c1=O ZINC000063858768 823703153 /nfs/dbraw/zinc/70/31/53/823703153.db2.gz SZPUZQONZRZBOA-KRWDZBQOSA-N 1 2 399.564 4.058 20 0 GIADLO CCn1c(=S)n(CN2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc1-c1ccc(C)cc1 ZINC000163355768 823703599 /nfs/dbraw/zinc/70/35/99/823703599.db2.gz WFXOUSHUBKQNDQ-IEBWSBKVSA-N 1 2 396.564 4.147 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000413076621 823703924 /nfs/dbraw/zinc/70/39/24/823703924.db2.gz RBWURBXVXNKHCI-OAQYLSRUSA-N 1 2 390.531 4.161 20 0 GIADLO CCc1c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cnn1-c1ccccc1Cl ZINC000191592301 823706167 /nfs/dbraw/zinc/70/61/67/823706167.db2.gz IFCJBZXDTUGJNG-UHFFFAOYSA-N 1 2 398.898 4.154 20 0 GIADLO Cc1ccc(OCCCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(C)c1 ZINC000163420680 823707782 /nfs/dbraw/zinc/70/77/82/823707782.db2.gz OGYVRONTZACTJL-UHFFFAOYSA-N 1 2 391.515 4.066 20 0 GIADLO Cc1ccc(-c2nc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)cs2)c(C)c1 ZINC000063919028 823711538 /nfs/dbraw/zinc/71/15/38/823711538.db2.gz ZWVXIQVVFLDASP-UHFFFAOYSA-N 1 2 392.528 4.352 20 0 GIADLO COc1ccccc1-c1nc(C2CC[NH+](Cc3csc(C4CC4)n3)CC2)no1 ZINC000191633520 823720070 /nfs/dbraw/zinc/72/00/70/823720070.db2.gz KBBNXURAWGBDIT-UHFFFAOYSA-N 1 2 396.516 4.459 20 0 GIADLO C[C@H]1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)C[C@H]1n1cc[nH+]c1 ZINC000125825138 823720986 /nfs/dbraw/zinc/72/09/86/823720986.db2.gz NREKTDHUKNBDDC-LAUBAEHRSA-N 1 2 394.519 4.125 20 0 GIADLO CCc1c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1ccccc1C ZINC000191638784 823721663 /nfs/dbraw/zinc/72/16/63/823721663.db2.gz QIFSGSADQKVTLX-DYESRHJHSA-N 1 2 392.507 4.055 20 0 GIADLO Cc1ccc(Br)c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000574409408 823722504 /nfs/dbraw/zinc/72/25/04/823722504.db2.gz JVPKQLJRSBKAQX-SHTZXODSSA-N 1 2 388.309 4.306 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N2CCn3c(nnc3C3CCCC3)C2)c1 ZINC000413202841 823726737 /nfs/dbraw/zinc/72/67/37/823726737.db2.gz VKICMDDUJHJXQS-UHFFFAOYSA-N 1 2 398.308 4.267 20 0 GIADLO COc1cccc(Nc2nn(C[N@@H+]3CCS[C@H](C)CC3)c(=S)s2)c1 ZINC000191667349 823728212 /nfs/dbraw/zinc/72/82/12/823728212.db2.gz HHAYVSIOFSNBKF-GFCCVEGCSA-N 1 2 382.580 4.211 20 0 GIADLO COc1cccc(Nc2nn(C[N@H+]3CCS[C@H](C)CC3)c(=S)s2)c1 ZINC000191667349 823728221 /nfs/dbraw/zinc/72/82/21/823728221.db2.gz HHAYVSIOFSNBKF-GFCCVEGCSA-N 1 2 382.580 4.211 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1nc2ccccc2cc1Cl ZINC000574435133 823728560 /nfs/dbraw/zinc/72/85/60/823728560.db2.gz GJYPFTLJNCXDKV-UHFFFAOYSA-N 1 2 376.847 4.063 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(Br)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000125862797 823731852 /nfs/dbraw/zinc/73/18/52/823731852.db2.gz PDISVSKLRSQFOP-NHYWBVRUSA-N 1 2 382.689 4.022 20 0 GIADLO Cc1sc(-c2ccco2)nc1C(=O)OCCOCCCc1cccc(C)[nH+]1 ZINC000125888402 823738061 /nfs/dbraw/zinc/73/80/61/823738061.db2.gz LTAXPWCKKWEPTC-UHFFFAOYSA-N 1 2 386.473 4.221 20 0 GIADLO CSc1cc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)ccc1F ZINC000163709311 823740382 /nfs/dbraw/zinc/74/03/82/823740382.db2.gz OLCBQAOAMGHFAZ-UHFFFAOYSA-N 1 2 387.524 4.012 20 0 GIADLO CCS(=O)(=O)c1ccc(CNc2[nH+]cccc2OCc2ccccc2)cc1 ZINC000574490660 823746657 /nfs/dbraw/zinc/74/66/57/823746657.db2.gz HHBYDMWKHIXLBT-UHFFFAOYSA-N 1 2 382.485 4.066 20 0 GIADLO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1CC[S@@](=O)c1ccccc1 ZINC000125931102 823747702 /nfs/dbraw/zinc/74/77/02/823747702.db2.gz VNHKHDIIBJTRJX-QYBDOPJKSA-N 1 2 393.984 4.446 20 0 GIADLO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1CC[S@@](=O)c1ccccc1 ZINC000125931102 823747709 /nfs/dbraw/zinc/74/77/09/823747709.db2.gz VNHKHDIIBJTRJX-QYBDOPJKSA-N 1 2 393.984 4.446 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CCCc2cc(F)ccc21 ZINC000125932139 823748252 /nfs/dbraw/zinc/74/82/52/823748252.db2.gz BVGXUZLHNSTSNX-FQEVSTJZSA-N 1 2 382.483 4.088 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cccc(Cl)c2Br)C[C@H]1n1cc[nH+]c1 ZINC000191727654 823749245 /nfs/dbraw/zinc/74/92/45/823749245.db2.gz JRLZSKLKGKKQTG-SMDDNHRTSA-N 1 2 397.704 4.414 20 0 GIADLO O=C(Nc1cccc(Cl)c1Br)N1CCC(n2cc[nH+]c2)CC1 ZINC000191736807 823751473 /nfs/dbraw/zinc/75/14/73/823751473.db2.gz GIMGGSLGAMVMJR-UHFFFAOYSA-N 1 2 383.677 4.168 20 0 GIADLO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000064140320 823753461 /nfs/dbraw/zinc/75/34/61/823753461.db2.gz YUQHZHWFOQILTE-CQSZACIVSA-N 1 2 394.849 4.460 20 0 GIADLO Cc1noc(C2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)n1 ZINC000064143300 823754581 /nfs/dbraw/zinc/75/45/81/823754581.db2.gz JAWDKARYJZCLFO-UHFFFAOYSA-N 1 2 394.262 4.114 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(Cl)cc3C)CCCC2)no1 ZINC000163859931 823754932 /nfs/dbraw/zinc/75/49/32/823754932.db2.gz WBNOTNLIWDHNPZ-UHFFFAOYSA-N 1 2 390.915 4.073 20 0 GIADLO CCN(C(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1)c1ccccc1 ZINC000125971273 823756599 /nfs/dbraw/zinc/75/65/99/823756599.db2.gz OODKWPRTYIZWJG-DEOSSOPVSA-N 1 2 398.510 4.305 20 0 GIADLO C[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(Br)c1 ZINC000461921993 823756695 /nfs/dbraw/zinc/75/66/95/823756695.db2.gz MUPYEDAMQNPUAX-CQSZACIVSA-N 1 2 384.277 4.055 20 0 GIADLO C[N@H+](Cc1cnc(-c2ccccc2)s1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191759931 823758761 /nfs/dbraw/zinc/75/87/61/823758761.db2.gz CKKDCYZQRCXSDF-HXUWFJFHSA-N 1 2 377.513 4.043 20 0 GIADLO C[N@@H+](Cc1cnc(-c2ccccc2)s1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191759931 823758764 /nfs/dbraw/zinc/75/87/64/823758764.db2.gz CKKDCYZQRCXSDF-HXUWFJFHSA-N 1 2 377.513 4.043 20 0 GIADLO CN(C)C(=O)c1cccc(C[NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)c1 ZINC000125997554 823763167 /nfs/dbraw/zinc/76/31/67/823763167.db2.gz PEQZNLIMARGSNN-HSZRJFAPSA-N 1 2 398.510 4.154 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccccc1N1CCCCC1 ZINC000191779219 823765582 /nfs/dbraw/zinc/76/55/82/823765582.db2.gz PDWVGHAHNBLHTH-UHFFFAOYSA-N 1 2 383.540 4.380 20 0 GIADLO C[C@H]1CCN(C(=O)CCC(=O)c2csc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000126015506 823766907 /nfs/dbraw/zinc/76/69/07/823766907.db2.gz IHLCGDZUSLCQPX-MAUKXSAKSA-N 1 2 381.501 4.170 20 0 GIADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000574583287 823772255 /nfs/dbraw/zinc/77/22/55/823772255.db2.gz TUYVGXOIQPUGJH-APPDUMDISA-N 1 2 394.288 4.148 20 0 GIADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000574583287 823772260 /nfs/dbraw/zinc/77/22/60/823772260.db2.gz TUYVGXOIQPUGJH-APPDUMDISA-N 1 2 394.288 4.148 20 0 GIADLO CN(C(=O)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1)C1CCCCC1 ZINC000126043808 823773840 /nfs/dbraw/zinc/77/38/40/823773840.db2.gz RLYNLVYQYGYGHZ-HSZRJFAPSA-N 1 2 390.531 4.043 20 0 GIADLO Cc1ccc(S[C@H](C)C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000126074357 823780388 /nfs/dbraw/zinc/78/03/88/823780388.db2.gz DQSHRKGTDSGWTI-GOSISDBHSA-N 1 2 384.545 4.255 20 0 GIADLO O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000164150148 823781547 /nfs/dbraw/zinc/78/15/47/823781547.db2.gz DITCPYXGDBDLIH-CQSZACIVSA-N 1 2 386.377 4.165 20 0 GIADLO Cc1oncc1CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000126088206 823783811 /nfs/dbraw/zinc/78/38/11/823783811.db2.gz CAEHNJOCSUDSKK-NSHDSACASA-N 1 2 377.901 4.132 20 0 GIADLO Cc1cncc(-c2nc(C[N@@H+](CC(C)C)[C@H]3CCCc4cccnc43)no2)c1 ZINC000574639278 823787362 /nfs/dbraw/zinc/78/73/62/823787362.db2.gz QHGURIKWUJVEHK-IBGZPJMESA-N 1 2 377.492 4.371 20 0 GIADLO Cc1cncc(-c2nc(C[N@H+](CC(C)C)[C@H]3CCCc4cccnc43)no2)c1 ZINC000574639278 823787365 /nfs/dbraw/zinc/78/73/65/823787365.db2.gz QHGURIKWUJVEHK-IBGZPJMESA-N 1 2 377.492 4.371 20 0 GIADLO CCN(C(=O)[C@H](C)CC(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000413502401 823788079 /nfs/dbraw/zinc/78/80/79/823788079.db2.gz QRWDERSAMRQXHR-CQSZACIVSA-N 1 2 382.499 4.017 20 0 GIADLO Cc1cncc(-c2nc(C[N@@H+](CC(C)C)[C@@H]3CCCc4cccnc43)no2)c1 ZINC000574639279 823788060 /nfs/dbraw/zinc/78/80/60/823788060.db2.gz QHGURIKWUJVEHK-LJQANCHMSA-N 1 2 377.492 4.371 20 0 GIADLO Cc1cncc(-c2nc(C[N@H+](CC(C)C)[C@@H]3CCCc4cccnc43)no2)c1 ZINC000574639279 823788068 /nfs/dbraw/zinc/78/80/68/823788068.db2.gz QHGURIKWUJVEHK-LJQANCHMSA-N 1 2 377.492 4.371 20 0 GIADLO CCCC[C@](C)(NC(=O)NCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000461997507 823788986 /nfs/dbraw/zinc/78/89/86/823788986.db2.gz YYBHONUEPRYLSP-SFHVURJKSA-N 1 2 393.329 4.087 20 0 GIADLO CCCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000462008463 823792807 /nfs/dbraw/zinc/79/28/07/823792807.db2.gz OOORTEZNEOWQKC-NHCUHLMSSA-N 1 2 398.551 4.057 20 0 GIADLO COC[C@H]([NH2+]Cc1c(OC)cc(OC)cc1OC)c1cccc(C(F)(F)F)c1 ZINC000164423190 823802090 /nfs/dbraw/zinc/80/20/90/823802090.db2.gz ZGIDNIVVRQFDEI-KRWDZBQOSA-N 1 2 399.409 4.209 20 0 GIADLO CC(=O)c1ccc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)nc1 ZINC000413623510 823804804 /nfs/dbraw/zinc/80/48/04/823804804.db2.gz ULZODYNZFGATCG-UHFFFAOYSA-N 1 2 388.309 4.123 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000462035109 823805306 /nfs/dbraw/zinc/80/53/06/823805306.db2.gz UUXJQNXINWRAIF-UHFFFAOYSA-N 1 2 397.466 4.207 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000462035109 823805318 /nfs/dbraw/zinc/80/53/18/823805318.db2.gz UUXJQNXINWRAIF-UHFFFAOYSA-N 1 2 397.466 4.207 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000191900934 823807612 /nfs/dbraw/zinc/80/76/12/823807612.db2.gz SZPRKMZDMAOEJN-UHFFFAOYSA-N 1 2 398.486 4.023 20 0 GIADLO COC(=O)C[C@](C)([NH2+]Cc1csc(-c2ccc(C)cc2)n1)c1ccncc1 ZINC000191903591 823808416 /nfs/dbraw/zinc/80/84/16/823808416.db2.gz ZKBIAMHFWPJFRU-NRFANRHFSA-N 1 2 381.501 4.082 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000126223920 823815498 /nfs/dbraw/zinc/81/54/98/823815498.db2.gz YZBQFZKKSBBDLA-IAGOWNOFSA-N 1 2 384.442 4.134 20 0 GIADLO C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164674531 823815606 /nfs/dbraw/zinc/81/56/06/823815606.db2.gz BBSAZTTWLHTHTI-CVEARBPZSA-N 1 2 395.532 4.063 20 0 GIADLO CC[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)CC(F)(F)F ZINC000413740896 823829712 /nfs/dbraw/zinc/82/97/12/823829712.db2.gz NVZCBYCVVAQMLD-CQSZACIVSA-N 1 2 386.462 4.087 20 0 GIADLO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000462112977 823831930 /nfs/dbraw/zinc/83/19/30/823831930.db2.gz QKOSQDZGHQGLKX-FQEVSTJZSA-N 1 2 385.895 4.292 20 0 GIADLO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c(Cl)c1 ZINC000462112977 823831935 /nfs/dbraw/zinc/83/19/35/823831935.db2.gz QKOSQDZGHQGLKX-FQEVSTJZSA-N 1 2 385.895 4.292 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(OC2CCCC2)c1 ZINC000126295435 823832721 /nfs/dbraw/zinc/83/27/21/823832721.db2.gz WNQWCGBPLORZAA-UHFFFAOYSA-N 1 2 394.515 4.401 20 0 GIADLO Cc1ccc(NC(=O)C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1F ZINC000165111200 823834465 /nfs/dbraw/zinc/83/44/65/823834465.db2.gz FEAKFKRKENBPGS-JOCHJYFZSA-N 1 2 391.446 4.042 20 0 GIADLO C[C@@H]1CCN(C(=O)CCOc2ccccc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000126321576 823839371 /nfs/dbraw/zinc/83/93/71/823839371.db2.gz NTYZHMRLHZBMSZ-DENIHFKCSA-N 1 2 389.499 4.429 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3cc(F)c(F)c(F)c3)CC2)n1 ZINC000192036792 823840052 /nfs/dbraw/zinc/84/00/52/823840052.db2.gz XGFXWDBMSRYBDX-UHFFFAOYSA-N 1 2 384.423 4.117 20 0 GIADLO C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)CC(F)(F)F ZINC000413783766 823840658 /nfs/dbraw/zinc/84/06/58/823840658.db2.gz ZKZMHAFRDJUNAY-KKUMJFAQSA-N 1 2 387.446 4.006 20 0 GIADLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000574846374 823841256 /nfs/dbraw/zinc/84/12/56/823841256.db2.gz OUCFMHGFVDJPBV-LLVKDONJSA-N 1 2 392.668 4.443 20 0 GIADLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000574846374 823841259 /nfs/dbraw/zinc/84/12/59/823841259.db2.gz OUCFMHGFVDJPBV-LLVKDONJSA-N 1 2 392.668 4.443 20 0 GIADLO CC(C)CCOc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000064547316 823841436 /nfs/dbraw/zinc/84/14/36/823841436.db2.gz ZXUHUSARZHJMAT-UHFFFAOYSA-N 1 2 382.508 4.428 20 0 GIADLO Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2nc(CCc3ccccc3)no2)cc1 ZINC000192055453 823845577 /nfs/dbraw/zinc/84/55/77/823845577.db2.gz RUAZXAXXCHDIDW-RXVVDRJESA-N 1 2 383.879 4.128 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccsc2)C1)Nc1cc(Cl)ccc1Cl ZINC000126369713 823850463 /nfs/dbraw/zinc/85/04/63/823850463.db2.gz FQTLHZJXWMBCBM-MRXNPFEDSA-N 1 2 385.316 4.457 20 0 GIADLO O=C(CC[N@H+]1CCO[C@@H](c2ccsc2)C1)Nc1cc(Cl)ccc1Cl ZINC000126369713 823850469 /nfs/dbraw/zinc/85/04/69/823850469.db2.gz FQTLHZJXWMBCBM-MRXNPFEDSA-N 1 2 385.316 4.457 20 0 GIADLO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000126388707 823854496 /nfs/dbraw/zinc/85/44/96/823854496.db2.gz VCELNRXOCAJNEC-LPHOPBHVSA-N 1 2 394.544 4.276 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C[C@H](C)O)C(C)C)cs1)c1c(C)cc(C)cc1C ZINC000165732554 823861466 /nfs/dbraw/zinc/86/14/66/823861466.db2.gz QPCIVBPLUGSFEV-KRWDZBQOSA-N 1 2 389.565 4.344 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C[C@H](C)O)C(C)C)cs1)c1c(C)cc(C)cc1C ZINC000165732554 823861467 /nfs/dbraw/zinc/86/14/67/823861467.db2.gz QPCIVBPLUGSFEV-KRWDZBQOSA-N 1 2 389.565 4.344 20 0 GIADLO CCS[C@H](C)c1noc(C[NH+]2CCC(Cc3ccccc3OC)CC2)n1 ZINC000126435564 823866301 /nfs/dbraw/zinc/86/63/01/823866301.db2.gz HUCBVEOWPSOLIK-OAHLLOKOSA-N 1 2 375.538 4.347 20 0 GIADLO FC(F)(F)c1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000574943633 823867023 /nfs/dbraw/zinc/86/70/23/823867023.db2.gz DHXDQQREFVXEGE-IEBWSBKVSA-N 1 2 381.394 4.345 20 0 GIADLO FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@H]3CCCO3)o2)cc1 ZINC000574943633 823867026 /nfs/dbraw/zinc/86/70/26/823867026.db2.gz DHXDQQREFVXEGE-IEBWSBKVSA-N 1 2 381.394 4.345 20 0 GIADLO Clc1ccc([C@@H](c2ccccc2)[NH+]2CCN(Cc3ncccn3)CC2)cc1 ZINC000192125993 823869058 /nfs/dbraw/zinc/86/90/58/823869058.db2.gz XDUNADVDXRTKRK-JOCHJYFZSA-N 1 2 378.907 4.037 20 0 GIADLO CC(C)[C@H]1C[C@@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCO1 ZINC000574959466 823871897 /nfs/dbraw/zinc/87/18/97/823871897.db2.gz OZFGEBFKXBKSFG-LAUBAEHRSA-N 1 2 394.519 4.175 20 0 GIADLO CCOC[C@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)C1 ZINC000166253899 823873806 /nfs/dbraw/zinc/87/38/06/823873806.db2.gz NGQVZWWORFCSGV-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO CCOC[C@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)C1 ZINC000166253899 823873811 /nfs/dbraw/zinc/87/38/11/823873811.db2.gz NGQVZWWORFCSGV-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO CC(C)c1c(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cnn1-c1ccccc1Cl ZINC000192160530 823885975 /nfs/dbraw/zinc/88/59/75/823885975.db2.gz ZQIHHNOHZXIFLY-AWEZNQCLSA-N 1 2 383.883 4.047 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCS[C@H](C)CC2)cs1)c1ccc(F)cc1 ZINC000192174226 823891201 /nfs/dbraw/zinc/89/12/01/823891201.db2.gz UOQCNXYGHPQVBG-CYBMUJFWSA-N 1 2 379.526 4.294 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCS[C@H](C)CC2)cs1)c1ccc(F)cc1 ZINC000192174226 823891206 /nfs/dbraw/zinc/89/12/06/823891206.db2.gz UOQCNXYGHPQVBG-CYBMUJFWSA-N 1 2 379.526 4.294 20 0 GIADLO COc1ccc(-c2noc(COc3cc(C)[nH+]c4ccccc43)n2)c(OC)c1 ZINC000192192761 823897529 /nfs/dbraw/zinc/89/75/29/823897529.db2.gz RUEOROKHRFOLEY-UHFFFAOYSA-N 1 2 377.400 4.189 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(COCc3ccccc3)cc2)s1 ZINC000414075149 823902296 /nfs/dbraw/zinc/90/22/96/823902296.db2.gz XKEUGMUQGSUOIJ-INIZCTEOSA-N 1 2 396.512 4.497 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000462291512 823913911 /nfs/dbraw/zinc/91/39/11/823913911.db2.gz CHTAUKNTAYILCY-AWEZNQCLSA-N 1 2 397.466 4.355 20 0 GIADLO CCc1cccc(OCC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000575118845 823916979 /nfs/dbraw/zinc/91/69/79/823916979.db2.gz ZXPMTHXTMOTVAM-UHFFFAOYSA-N 1 2 375.472 4.466 20 0 GIADLO CSc1ccc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000462307772 823919533 /nfs/dbraw/zinc/91/95/33/823919533.db2.gz HKWNXMQJKZQJJH-HNNXBMFYSA-N 1 2 375.563 4.058 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccnc(OC2CCCCC2)c1 ZINC000192261738 823921300 /nfs/dbraw/zinc/92/13/00/823921300.db2.gz VEIIRKOYJGEKMJ-UHFFFAOYSA-N 1 2 384.524 4.104 20 0 GIADLO Cc1cc(N2CCN(Cc3csc(CCC(C)C)n3)CC2)nc(C(C)C)[nH+]1 ZINC000065040702 823928763 /nfs/dbraw/zinc/92/87/63/823928763.db2.gz QAXOVBQKSSWUCV-UHFFFAOYSA-N 1 2 387.597 4.276 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000192284879 823933322 /nfs/dbraw/zinc/93/33/22/823933322.db2.gz GUUBXCZVJRVSPN-UHFFFAOYSA-N 1 2 394.519 4.229 20 0 GIADLO O=C(COc1cccc2ccccc21)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000575205326 823938555 /nfs/dbraw/zinc/93/85/55/823938555.db2.gz WMNNCHPDQLKBSM-WGSAOQKQSA-N 1 2 375.472 4.153 20 0 GIADLO C[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1cc(Cl)ccc1OC(F)F ZINC000414249217 823940882 /nfs/dbraw/zinc/94/08/82/823940882.db2.gz WXWUHLAEKPNJBC-NSHDSACASA-N 1 2 389.851 4.196 20 0 GIADLO CCCC[C@H]([NH2+][C@H](C)c1cc(C)on1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000575237295 823948681 /nfs/dbraw/zinc/94/86/81/823948681.db2.gz MMGKSUXMXVHHFG-XLIONFOSSA-N 1 2 384.524 4.431 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000192348397 823955036 /nfs/dbraw/zinc/95/50/36/823955036.db2.gz USVJOERSGYQMMY-QGZVFWFLSA-N 1 2 390.915 4.044 20 0 GIADLO CC(C)([NH2+]Cn1c(=O)oc2ccc(Cl)cc21)c1ccc(Br)cc1 ZINC000065188185 823957986 /nfs/dbraw/zinc/95/79/86/823957986.db2.gz GAJGIFUHETWRBR-UHFFFAOYSA-N 1 2 395.684 4.493 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000192358932 823958723 /nfs/dbraw/zinc/95/87/23/823958723.db2.gz UPXXRWCFSXIUAZ-UHFFFAOYSA-N 1 2 397.350 4.417 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000414335810 823960181 /nfs/dbraw/zinc/96/01/81/823960181.db2.gz YQCZCRHVICFAOS-CZUORRHYSA-N 1 2 391.512 4.353 20 0 GIADLO CCOc1ccc([C@@H](NCc2c[nH+]c(N(C)C)n2C)c2cccc(Cl)c2)cc1 ZINC000414371032 823967345 /nfs/dbraw/zinc/96/73/45/823967345.db2.gz XTGKJEVTCFYHOK-OAQYLSRUSA-N 1 2 398.938 4.417 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ncc(C(C)C)s1 ZINC000192397856 823970421 /nfs/dbraw/zinc/97/04/21/823970421.db2.gz XPQLEFDSXLRVHQ-UHFFFAOYSA-N 1 2 387.553 4.432 20 0 GIADLO CC(=O)c1ccc2c(c1)CN(C(=O)Nc1nc(C[N@H+]3CCC[C@@H](C)C3)cs1)C2 ZINC000414416369 823977533 /nfs/dbraw/zinc/97/75/33/823977533.db2.gz WSTZKTOWNSEQBQ-CQSZACIVSA-N 1 2 398.532 4.125 20 0 GIADLO CC(=O)c1ccc2c(c1)CN(C(=O)Nc1nc(C[N@@H+]3CCC[C@@H](C)C3)cs1)C2 ZINC000414416369 823977542 /nfs/dbraw/zinc/97/75/42/823977542.db2.gz WSTZKTOWNSEQBQ-CQSZACIVSA-N 1 2 398.532 4.125 20 0 GIADLO Clc1cccc(CN(CCn2cc[nH+]c2)Cc2ccn(-c3ccccc3)n2)c1 ZINC000575599545 823978611 /nfs/dbraw/zinc/97/86/11/823978611.db2.gz MKXFXZQHQMQGNC-UHFFFAOYSA-N 1 2 391.906 4.425 20 0 GIADLO COc1ccccc1[C@H]1CCCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000170817003 823978839 /nfs/dbraw/zinc/97/88/39/823978839.db2.gz IZSREKURTABRKP-LJQANCHMSA-N 1 2 395.528 4.248 20 0 GIADLO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126945837 823987082 /nfs/dbraw/zinc/98/70/82/823987082.db2.gz FJHNLNYVABDMBV-HSZRJFAPSA-N 1 2 388.467 4.218 20 0 GIADLO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126945837 823987090 /nfs/dbraw/zinc/98/70/90/823987090.db2.gz FJHNLNYVABDMBV-HSZRJFAPSA-N 1 2 388.467 4.218 20 0 GIADLO CCCc1ncc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)o1 ZINC000575761577 823988333 /nfs/dbraw/zinc/98/83/33/823988333.db2.gz RZOAPBBMOXETTH-UHFFFAOYSA-N 1 2 379.464 4.149 20 0 GIADLO CCCOc1ccc(Cl)cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000575785534 823994619 /nfs/dbraw/zinc/99/46/19/823994619.db2.gz LLKLMEFTCMCFOY-RHSMWYFYSA-N 1 2 377.872 4.105 20 0 GIADLO CCCOc1ccc(Cl)cc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000575785534 823994624 /nfs/dbraw/zinc/99/46/24/823994624.db2.gz LLKLMEFTCMCFOY-RHSMWYFYSA-N 1 2 377.872 4.105 20 0 GIADLO Cn1c(C[NH2+]C2(c3ccc(Br)cc3)CC2)nnc1-c1ccccc1 ZINC000170871963 823996192 /nfs/dbraw/zinc/99/61/92/823996192.db2.gz XOASKJGCICQVBX-UHFFFAOYSA-N 1 2 383.293 4.024 20 0 GIADLO Cc1cccc(-c2noc(C[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)n2)c1 ZINC000192466028 824001851 /nfs/dbraw/zinc/00/18/51/824001851.db2.gz PQHFFVRSQIQVGH-UHFFFAOYSA-N 1 2 379.435 4.279 20 0 GIADLO FC(F)Oc1ccc([C@@H]([NH2+]Cc2nnc3n2CCCCC3)c2ccccc2)cc1 ZINC000170906158 824003708 /nfs/dbraw/zinc/00/37/08/824003708.db2.gz VAUDVPCWSULHAX-NRFANRHFSA-N 1 2 398.457 4.485 20 0 GIADLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c1C ZINC000192475843 824005305 /nfs/dbraw/zinc/00/53/05/824005305.db2.gz GDHCZIATIYVHTC-QGZVFWFLSA-N 1 2 382.479 4.364 20 0 GIADLO Cc1ccc(-c2[nH]nc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)c2C)o1 ZINC000192480265 824007369 /nfs/dbraw/zinc/00/73/69/824007369.db2.gz YOVOVJWDVPBOIM-QGZVFWFLSA-N 1 2 382.439 4.029 20 0 GIADLO Cc1ccc(-c2[nH]nc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)c2C)o1 ZINC000192480265 824007376 /nfs/dbraw/zinc/00/73/76/824007376.db2.gz YOVOVJWDVPBOIM-QGZVFWFLSA-N 1 2 382.439 4.029 20 0 GIADLO FC(F)Oc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1Br ZINC000414550323 824008847 /nfs/dbraw/zinc/00/88/47/824008847.db2.gz CWZANKNGEVZEOX-UHFFFAOYSA-N 1 2 390.253 4.069 20 0 GIADLO CC(=O)c1cccc(OCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000192491971 824010039 /nfs/dbraw/zinc/01/00/39/824010039.db2.gz LQUVNFWIEZWGDQ-UHFFFAOYSA-N 1 2 389.455 4.107 20 0 GIADLO O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000192494192 824010439 /nfs/dbraw/zinc/01/04/39/824010439.db2.gz OLSOKRVHGFFSAM-HXUWFJFHSA-N 1 2 387.439 4.127 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000127106687 824018855 /nfs/dbraw/zinc/01/88/55/824018855.db2.gz JLNOPZIXHFXDDO-IRXDYDNUSA-N 1 2 384.348 4.159 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000127106687 824018862 /nfs/dbraw/zinc/01/88/62/824018862.db2.gz JLNOPZIXHFXDDO-IRXDYDNUSA-N 1 2 384.348 4.159 20 0 GIADLO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000575910979 824027622 /nfs/dbraw/zinc/02/76/22/824027622.db2.gz QBVQJCHYCUNNOM-OAHLLOKOSA-N 1 2 399.292 4.466 20 0 GIADLO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000192555038 824030190 /nfs/dbraw/zinc/03/01/90/824030190.db2.gz LUUZHUBDEBLUHZ-UHFFFAOYSA-N 1 2 397.881 4.375 20 0 GIADLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000192555038 824030193 /nfs/dbraw/zinc/03/01/93/824030193.db2.gz LUUZHUBDEBLUHZ-UHFFFAOYSA-N 1 2 397.881 4.375 20 0 GIADLO COc1cc(Br)c(CNc2ccc3c(c2)CCC[NH2+]3)cc1OC ZINC000414855461 824042749 /nfs/dbraw/zinc/04/27/49/824042749.db2.gz WOIJCTVNRPJKPP-UHFFFAOYSA-N 1 2 377.282 4.437 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(CCc1ccccc1)Cc1ccncc1 ZINC000171038179 824044084 /nfs/dbraw/zinc/04/40/84/824044084.db2.gz IJFHBRFEGVSECA-UHFFFAOYSA-N 1 2 382.467 4.152 20 0 GIADLO C[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccc(Cl)cc1 ZINC000171040875 824044927 /nfs/dbraw/zinc/04/49/27/824044927.db2.gz NLSUATMCWVOMOM-UHFFFAOYSA-N 1 2 382.645 4.378 20 0 GIADLO C[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccc(Cl)cc1 ZINC000171040875 824044932 /nfs/dbraw/zinc/04/49/32/824044932.db2.gz NLSUATMCWVOMOM-UHFFFAOYSA-N 1 2 382.645 4.378 20 0 GIADLO Cc1nc2sc3c(c2c(N2CCC[N@H+](Cc4cscn4)CC2)n1)CCCC3 ZINC000171048239 824046815 /nfs/dbraw/zinc/04/68/15/824046815.db2.gz BMZKLQCBMGAUIQ-UHFFFAOYSA-N 1 2 399.589 4.047 20 0 GIADLO Cc1nc2sc3c(c2c(N2CCC[N@@H+](Cc4cscn4)CC2)n1)CCCC3 ZINC000171048239 824046819 /nfs/dbraw/zinc/04/68/19/824046819.db2.gz BMZKLQCBMGAUIQ-UHFFFAOYSA-N 1 2 399.589 4.047 20 0 GIADLO Cc1ccc(-c2noc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCC3)n2)cc1 ZINC000576004545 824047759 /nfs/dbraw/zinc/04/77/59/824047759.db2.gz HQBYCVVQJGDWQD-NRFANRHFSA-N 1 2 377.488 4.429 20 0 GIADLO Cc1cccc2nc(C[N@@H+]3CCCN(C(=O)Nc4cccc(Cl)c4)CC3)cn21 ZINC000171054891 824049138 /nfs/dbraw/zinc/04/91/38/824049138.db2.gz ADKHZFJYNNBTPN-UHFFFAOYSA-N 1 2 397.910 4.036 20 0 GIADLO Cc1cccc2nc(C[N@H+]3CCCN(C(=O)Nc4cccc(Cl)c4)CC3)cn21 ZINC000171054891 824049146 /nfs/dbraw/zinc/04/91/46/824049146.db2.gz ADKHZFJYNNBTPN-UHFFFAOYSA-N 1 2 397.910 4.036 20 0 GIADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)cc1 ZINC000018892375 210219487 /nfs/dbraw/zinc/21/94/87/210219487.db2.gz UMBFMDSHHWARAD-UHFFFAOYSA-N 1 2 392.330 4.470 20 0 GIADLO CCC[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc(F)cc1F ZINC000359893738 209200330 /nfs/dbraw/zinc/20/03/30/209200330.db2.gz CGAOIVYOXBUSBC-ZWKOTPCHSA-N 1 2 383.435 4.453 20 0 GIADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000359882903 209200017 /nfs/dbraw/zinc/20/00/17/209200017.db2.gz WGUFFUGKMVEGHQ-WCQYABFASA-N 1 2 389.253 4.070 20 0 GIADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000359882903 209200022 /nfs/dbraw/zinc/20/00/22/209200022.db2.gz WGUFFUGKMVEGHQ-WCQYABFASA-N 1 2 389.253 4.070 20 0 GIADLO FC(F)(F)c1cccc(C[NH+]2CCN(c3ncccc3C(F)(F)F)CC2)c1 ZINC000097251482 212076403 /nfs/dbraw/zinc/07/64/03/212076403.db2.gz RJKILFJPMFZSEA-UHFFFAOYSA-N 1 2 389.343 4.441 20 0 GIADLO Cc1sc2ncnc(NC[C@H](c3ccc(C)cc3)[NH+]3CCOCC3)c2c1C ZINC000071968835 211065662 /nfs/dbraw/zinc/06/56/62/211065662.db2.gz CSNFRRPJJUEIFF-GOSISDBHSA-N 1 2 382.533 4.102 20 0 GIADLO Cc1ccc(Cl)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673783 719497431 /nfs/dbraw/zinc/49/74/31/719497431.db2.gz RVIQUSUWTZIUIT-UHFFFAOYSA-N 1 2 389.902 4.054 20 0 GIADLO Cc1ccc(Cl)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673783 719497441 /nfs/dbraw/zinc/49/74/41/719497441.db2.gz RVIQUSUWTZIUIT-UHFFFAOYSA-N 1 2 389.902 4.054 20 0 GIADLO Clc1cnc(Cl)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1Cl ZINC001164730452 720390331 /nfs/dbraw/zinc/39/03/31/720390331.db2.gz XKVKDXCJVRJSAH-ZIAGYGMSSA-N 1 2 383.710 4.290 20 0 GIADLO Clc1cnc(Cl)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1Cl ZINC001164730452 720390335 /nfs/dbraw/zinc/39/03/35/720390335.db2.gz XKVKDXCJVRJSAH-ZIAGYGMSSA-N 1 2 383.710 4.290 20 0 GIADLO FC(F)(Sc1ccc(Cl)nc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165048280 721961757 /nfs/dbraw/zinc/96/17/57/721961757.db2.gz YDIMNGLEJUGVNF-UHFFFAOYSA-N 1 2 399.894 4.074 20 0 GIADLO C[C@@H](CCCc1cccnc1)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000458488069 823046773 /nfs/dbraw/zinc/04/67/73/823046773.db2.gz SUUZWBIHINCNBT-ROUUACIJSA-N 1 2 377.492 4.039 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc(Cl)cc2cccnc21 ZINC000055839820 823051491 /nfs/dbraw/zinc/05/14/91/823051491.db2.gz VVFAOSCGMSENEC-UHFFFAOYSA-N 1 2 390.874 4.106 20 0 GIADLO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1nccn1CC(F)(F)F)c1cccs1 ZINC000175859363 823057038 /nfs/dbraw/zinc/05/70/38/823057038.db2.gz YHNKJEWNWYKXMG-HUUCEWRRSA-N 1 2 387.471 4.375 20 0 GIADLO O[C@H](C[C@H]1CCCCC[N@H+]1Cc1nccn1CC(F)(F)F)c1cccs1 ZINC000175859363 823057042 /nfs/dbraw/zinc/05/70/42/823057042.db2.gz YHNKJEWNWYKXMG-HUUCEWRRSA-N 1 2 387.471 4.375 20 0 GIADLO COc1ccc2nc(C[NH2+][C@H](C)c3cc(OC)c(OC)cc3F)sc2c1 ZINC000187428386 823061882 /nfs/dbraw/zinc/06/18/82/823061882.db2.gz AURMXPUJIWCBEP-LLVKDONJSA-N 1 2 376.453 4.312 20 0 GIADLO Cc1cc(Br)cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000187500374 823075885 /nfs/dbraw/zinc/07/58/85/823075885.db2.gz OWKFCFZJXDONFL-CZUORRHYSA-N 1 2 377.286 4.069 20 0 GIADLO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120849006 823076166 /nfs/dbraw/zinc/07/61/66/823076166.db2.gz JLKXTTSEOFWVFX-RBUKOAKNSA-N 1 2 398.551 4.070 20 0 GIADLO COc1ccc(OCc2nc(C[NH2+]Cc3ccc(C(C)(C)O)cc3)cs2)cc1 ZINC000187509172 823077617 /nfs/dbraw/zinc/07/76/17/823077617.db2.gz ZCMGPMAPYUEALF-UHFFFAOYSA-N 1 2 398.528 4.248 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000120857380 823077915 /nfs/dbraw/zinc/07/79/15/823077915.db2.gz WYAFXCYGGONTLI-UHFFFAOYSA-N 1 2 395.429 4.056 20 0 GIADLO C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1c(F)cccc1Cl ZINC000175953508 823081051 /nfs/dbraw/zinc/08/10/51/823081051.db2.gz ACGKNTCHLLCSBS-CQSZACIVSA-N 1 2 386.858 4.284 20 0 GIADLO Cc1cc(Br)cn2cc(CCNC(=O)CC3(C)CCCC3)[nH+]c12 ZINC000570753364 823081236 /nfs/dbraw/zinc/08/12/36/823081236.db2.gz BATIYOXIFCASFH-UHFFFAOYSA-N 1 2 378.314 4.034 20 0 GIADLO CO[C@@H](C)c1cccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000175964640 823083512 /nfs/dbraw/zinc/08/35/12/823083512.db2.gz XHUYQQNFODFTGI-KRWDZBQOSA-N 1 2 396.535 4.251 20 0 GIADLO Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056132789 823086812 /nfs/dbraw/zinc/08/68/12/823086812.db2.gz PCUPMDSCRMJBEA-OAQYLSRUSA-N 1 2 385.471 4.126 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Br ZINC000187538413 823084790 /nfs/dbraw/zinc/08/47/90/823084790.db2.gz ZAYWYCRBGLGCCE-YVEFUNNKSA-N 1 2 391.313 4.377 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(Oc4ncccc4F)CC3)o2)cc1 ZINC000570785494 823087213 /nfs/dbraw/zinc/08/72/13/823087213.db2.gz PGSFNNCBFFPYCV-HNNXBMFYSA-N 1 2 382.439 4.184 20 0 GIADLO Cc1coc(-c2ccc(C)c(NC(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c2)n1 ZINC000120929886 823088508 /nfs/dbraw/zinc/08/85/08/823088508.db2.gz AIAXPUQRYQLCSA-UHFFFAOYSA-N 1 2 387.443 4.466 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000120992850 823098825 /nfs/dbraw/zinc/09/88/25/823098825.db2.gz WSDVPYWGYAUHQB-CYBMUJFWSA-N 1 2 381.492 4.162 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000120992850 823098828 /nfs/dbraw/zinc/09/88/28/823098828.db2.gz WSDVPYWGYAUHQB-CYBMUJFWSA-N 1 2 381.492 4.162 20 0 GIADLO Cc1ccc(C2(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)CCCC2)c(C)c1 ZINC000458876031 823100451 /nfs/dbraw/zinc/10/04/51/823100451.db2.gz ZKQPNJUWGCHXSK-UHFFFAOYSA-N 1 2 380.536 4.358 20 0 GIADLO CC(C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000176043348 823104793 /nfs/dbraw/zinc/10/47/93/823104793.db2.gz IMUPDHOXJGQWSU-UHFFFAOYSA-N 1 2 396.535 4.013 20 0 GIADLO CC(C)Oc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000570908569 823106347 /nfs/dbraw/zinc/10/63/47/823106347.db2.gz VODZSPDSOBGKHY-IBGZPJMESA-N 1 2 396.535 4.096 20 0 GIADLO O=C(C1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1)C(F)(F)F ZINC000187661633 823107884 /nfs/dbraw/zinc/10/78/84/823107884.db2.gz HVYMNBFMZSAABB-UHFFFAOYSA-N 1 2 387.295 4.110 20 0 GIADLO Cc1c[nH+]c2cc(C(=O)N3CCC(c4ccc(Br)cc4)CC3)ccn12 ZINC000570941589 823110076 /nfs/dbraw/zinc/11/00/76/823110076.db2.gz OZIDCSXXJMFEPC-UHFFFAOYSA-N 1 2 398.304 4.425 20 0 GIADLO Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000570995353 823117333 /nfs/dbraw/zinc/11/73/33/823117333.db2.gz OBNCUIAMGNCSJK-UHFFFAOYSA-N 1 2 393.834 4.196 20 0 GIADLO COc1ccc([C@H]([NH2+]Cc2cc(C(N)=O)co2)c2ccc(Cl)cc2)cc1C ZINC000187723826 823120110 /nfs/dbraw/zinc/12/01/10/823120110.db2.gz SRHQFAMQUJMCTR-HXUWFJFHSA-N 1 2 384.863 4.228 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000121114404 823120990 /nfs/dbraw/zinc/12/09/90/823120990.db2.gz VKTFDCZASSSRGA-CYBMUJFWSA-N 1 2 379.492 4.367 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000121114404 823120995 /nfs/dbraw/zinc/12/09/95/823120995.db2.gz VKTFDCZASSSRGA-CYBMUJFWSA-N 1 2 379.492 4.367 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(Cc2csc(Br)c2)C2CC2)c[nH+]1 ZINC000459080788 823125080 /nfs/dbraw/zinc/12/50/80/823125080.db2.gz QGRYZBKHAGPOBW-UHFFFAOYSA-N 1 2 394.338 4.397 20 0 GIADLO Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCCCn3cc[nH+]c3)o2)cc1 ZINC000121138603 823125134 /nfs/dbraw/zinc/12/51/34/823125134.db2.gz KZMONCOEAUWYAH-UHFFFAOYSA-N 1 2 386.455 4.334 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cnc(Cc3ccccc3)s2)c1C ZINC000176121780 823127286 /nfs/dbraw/zinc/12/72/86/823127286.db2.gz HEWAZXCIIXDLBM-UHFFFAOYSA-N 1 2 381.501 4.027 20 0 GIADLO CC[C@@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H](CC)O1 ZINC000571070707 823127794 /nfs/dbraw/zinc/12/77/94/823127794.db2.gz VGEXNGPGDJNKCL-HDICACEKSA-N 1 2 380.492 4.023 20 0 GIADLO COC[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1cccc(Cl)c1 ZINC000571083619 823129562 /nfs/dbraw/zinc/12/95/62/823129562.db2.gz FWSCKTIIKQEMOY-OAQYLSRUSA-N 1 2 381.907 4.492 20 0 GIADLO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459118002 823130361 /nfs/dbraw/zinc/13/03/61/823130361.db2.gz KRHJVPVMHRGZGM-UHFFFAOYSA-N 1 2 391.519 4.151 20 0 GIADLO CC(C)N(C(=O)C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1)C(C)C ZINC000571121413 823135448 /nfs/dbraw/zinc/13/54/48/823135448.db2.gz LBQTVWQHWOWCAK-UHFFFAOYSA-N 1 2 391.968 4.467 20 0 GIADLO CC(C)N(C(=O)C[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1)C(C)C ZINC000571121413 823135451 /nfs/dbraw/zinc/13/54/51/823135451.db2.gz LBQTVWQHWOWCAK-UHFFFAOYSA-N 1 2 391.968 4.467 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)c2c(F)cccc2Cl)c1C ZINC000176155083 823138209 /nfs/dbraw/zinc/13/82/09/823138209.db2.gz JKFIETIRPCYJJR-CYBMUJFWSA-N 1 2 379.863 4.402 20 0 GIADLO O=C(C[N@H+]1CC[C@H](OC(F)F)C1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000571182075 823145028 /nfs/dbraw/zinc/14/50/28/823145028.db2.gz HUEGRSMTOUBRFP-HNNXBMFYSA-N 1 2 396.821 4.384 20 0 GIADLO O=C(C[N@@H+]1CC[C@H](OC(F)F)C1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000571182075 823145030 /nfs/dbraw/zinc/14/50/30/823145030.db2.gz HUEGRSMTOUBRFP-HNNXBMFYSA-N 1 2 396.821 4.384 20 0 GIADLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121240265 823145432 /nfs/dbraw/zinc/14/54/32/823145432.db2.gz IPDSKZPCXWAQCE-SFHVURJKSA-N 1 2 383.927 4.304 20 0 GIADLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121240265 823145437 /nfs/dbraw/zinc/14/54/37/823145437.db2.gz IPDSKZPCXWAQCE-SFHVURJKSA-N 1 2 383.927 4.304 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2cc(OCC(F)F)ccn2)no1)c1ccc(Cl)cc1 ZINC000571224838 823151502 /nfs/dbraw/zinc/15/15/02/823151502.db2.gz LIPXMGBXLNCGQY-MRXNPFEDSA-N 1 2 394.809 4.080 20 0 GIADLO COc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OCc1cccs1 ZINC000121254951 823148800 /nfs/dbraw/zinc/14/88/00/823148800.db2.gz ZCYSERFHMCHSMS-KRWDZBQOSA-N 1 2 383.517 4.438 20 0 GIADLO COc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OCc1cccs1 ZINC000121254951 823148803 /nfs/dbraw/zinc/14/88/03/823148803.db2.gz ZCYSERFHMCHSMS-KRWDZBQOSA-N 1 2 383.517 4.438 20 0 GIADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000056514501 823160181 /nfs/dbraw/zinc/16/01/81/823160181.db2.gz ZKAJGOOCWGBTKT-UHFFFAOYSA-N 1 2 381.520 4.103 20 0 GIADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000056514501 823160186 /nfs/dbraw/zinc/16/01/86/823160186.db2.gz ZKAJGOOCWGBTKT-UHFFFAOYSA-N 1 2 381.520 4.103 20 0 GIADLO Cc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c(Br)c1 ZINC000056528663 823162687 /nfs/dbraw/zinc/16/26/87/823162687.db2.gz MBROASRCLSQBPN-UHFFFAOYSA-N 1 2 385.265 4.265 20 0 GIADLO c1coc([C@@H]2C[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CCO2)c1 ZINC000459343290 823166182 /nfs/dbraw/zinc/16/61/82/823166182.db2.gz QBMZQVOCQLCBIC-NRFANRHFSA-N 1 2 378.476 4.227 20 0 GIADLO c1coc([C@@H]2C[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CCO2)c1 ZINC000459343290 823166188 /nfs/dbraw/zinc/16/61/88/823166188.db2.gz QBMZQVOCQLCBIC-NRFANRHFSA-N 1 2 378.476 4.227 20 0 GIADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459337852 823164480 /nfs/dbraw/zinc/16/44/80/823164480.db2.gz BVJCFFOILSKZTH-HAURFUKOSA-N 1 2 387.545 4.032 20 0 GIADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459337852 823164483 /nfs/dbraw/zinc/16/44/83/823164483.db2.gz BVJCFFOILSKZTH-HAURFUKOSA-N 1 2 387.545 4.032 20 0 GIADLO CC[C@@H](NC(=O)c1ccccc1)c1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000571364281 823171606 /nfs/dbraw/zinc/17/16/06/823171606.db2.gz CIFVDPGVZLJBJU-XEDBTPMOSA-N 1 2 399.454 4.307 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000056559686 823169721 /nfs/dbraw/zinc/16/97/21/823169721.db2.gz SKYAGRBZGBUJHB-UHFFFAOYSA-N 1 2 375.904 4.129 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000056591216 823176373 /nfs/dbraw/zinc/17/63/73/823176373.db2.gz IQCPVIMXBTVKFF-UHFFFAOYSA-N 1 2 382.439 4.203 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccccc1OC(F)(F)F ZINC000056594657 823176992 /nfs/dbraw/zinc/17/69/92/823176992.db2.gz LRMAECCKCDRJME-UHFFFAOYSA-N 1 2 376.338 4.093 20 0 GIADLO O=c1cc(C[N@@H+](Cc2csc(Br)c2)C2CC2)nc(C2CC2)[nH]1 ZINC000459383335 823178875 /nfs/dbraw/zinc/17/88/75/823178875.db2.gz XOAPBDJXKMGTQD-UHFFFAOYSA-N 1 2 380.311 4.048 20 0 GIADLO O=c1cc(C[N@H+](Cc2csc(Br)c2)C2CC2)nc(C2CC2)[nH]1 ZINC000459383335 823178878 /nfs/dbraw/zinc/17/88/78/823178878.db2.gz XOAPBDJXKMGTQD-UHFFFAOYSA-N 1 2 380.311 4.048 20 0 GIADLO CCc1cccc(Oc2ccc(NC(=O)NCCCCn3cc[nH+]c3)cn2)c1 ZINC000056618740 823182370 /nfs/dbraw/zinc/18/23/70/823182370.db2.gz DGVLVLNCXZLOGD-UHFFFAOYSA-N 1 2 379.464 4.235 20 0 GIADLO C[N@H+](Cc1ccc(-c2ccncc2)cc1F)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000188083398 823183915 /nfs/dbraw/zinc/18/39/15/823183915.db2.gz RCRKYGBHYNWYPT-HSZRJFAPSA-N 1 2 389.474 4.121 20 0 GIADLO C[N@@H+](Cc1ccc(-c2ccncc2)cc1F)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000188083398 823183917 /nfs/dbraw/zinc/18/39/17/823183917.db2.gz RCRKYGBHYNWYPT-HSZRJFAPSA-N 1 2 389.474 4.121 20 0 GIADLO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2O1 ZINC000188104393 823187016 /nfs/dbraw/zinc/18/70/16/823187016.db2.gz IKWVXSYNXQGVEV-NVXWUHKLSA-N 1 2 384.480 4.286 20 0 GIADLO Cc1oc(-c2ccccc2)c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000188109794 823187968 /nfs/dbraw/zinc/18/79/68/823187968.db2.gz DBNSHYDSHDTYPJ-UHFFFAOYSA-N 1 2 375.472 4.357 20 0 GIADLO COc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(OC(C)C)c1 ZINC000188128511 823190971 /nfs/dbraw/zinc/19/09/71/823190971.db2.gz QLGFZKKEGKZDKU-UHFFFAOYSA-N 1 2 389.521 4.177 20 0 GIADLO CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000571539867 823197804 /nfs/dbraw/zinc/19/78/04/823197804.db2.gz KOMZTRNWZNIWHA-KRWDZBQOSA-N 1 2 384.545 4.035 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459465487 823197822 /nfs/dbraw/zinc/19/78/22/823197822.db2.gz NKCHCGLDYKCISM-TZIWHRDSSA-N 1 2 394.519 4.027 20 0 GIADLO COc1ccc2c(c1)c(C(=O)NC[C@H](C)Cn1cc[nH+]c1)c(C)n2C1CCCC1 ZINC000176396426 823198899 /nfs/dbraw/zinc/19/88/99/823198899.db2.gz RPMOKDVKOHEXBL-INIZCTEOSA-N 1 2 394.519 4.336 20 0 GIADLO CCC(CC)(Cc1nc2ccccc2s1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000176403631 823200829 /nfs/dbraw/zinc/20/08/29/823200829.db2.gz VOLLENKTAZBZFH-INIZCTEOSA-N 1 2 384.549 4.294 20 0 GIADLO CC(C)(c1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1)C(F)(F)F ZINC000571595503 823205116 /nfs/dbraw/zinc/20/51/16/823205116.db2.gz YNYXKEFHVUYRMA-UHFFFAOYSA-N 1 2 376.382 4.496 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459527733 823212202 /nfs/dbraw/zinc/21/22/02/823212202.db2.gz KJUNJQPALPRERL-QHCPKHFHSA-N 1 2 391.515 4.352 20 0 GIADLO CCOc1ccccc1Oc1ccccc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000176450907 823210196 /nfs/dbraw/zinc/21/01/96/823210196.db2.gz VLKYZNGWQOZKLT-KRWDZBQOSA-N 1 2 379.460 4.140 20 0 GIADLO Cn1cc(Br)c(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000571620481 823210334 /nfs/dbraw/zinc/21/03/34/823210334.db2.gz BQKPLVRBOYHEQR-LBPRGKRZSA-N 1 2 391.338 4.172 20 0 GIADLO Cn1cc(Br)c(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000571620481 823210338 /nfs/dbraw/zinc/21/03/38/823210338.db2.gz BQKPLVRBOYHEQR-LBPRGKRZSA-N 1 2 391.338 4.172 20 0 GIADLO Cn1cc(Br)c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000571620480 823210440 /nfs/dbraw/zinc/21/04/40/823210440.db2.gz BQKPLVRBOYHEQR-GFCCVEGCSA-N 1 2 391.338 4.172 20 0 GIADLO Cn1cc(Br)c(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000571620480 823210442 /nfs/dbraw/zinc/21/04/42/823210442.db2.gz BQKPLVRBOYHEQR-GFCCVEGCSA-N 1 2 391.338 4.172 20 0 GIADLO OCC1([C@H]([NH2+]Cc2nc(CCc3ccccc3)no2)c2ccccc2)CCCC1 ZINC000459533150 823213390 /nfs/dbraw/zinc/21/33/90/823213390.db2.gz PGPBAQJFDVQAFH-HSZRJFAPSA-N 1 2 391.515 4.238 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)o1 ZINC000459534405 823213943 /nfs/dbraw/zinc/21/39/43/823213943.db2.gz QCNYBAKTIJUULH-HSZRJFAPSA-N 1 2 391.515 4.352 20 0 GIADLO CC[C@@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000121612360 823215877 /nfs/dbraw/zinc/21/58/77/823215877.db2.gz ITQXKOFFHPVRNR-QZTJIDSGSA-N 1 2 378.394 4.274 20 0 GIADLO OCC1([C@H]([NH2+]Cc2nc(-c3ccccc3F)no2)c2ccccc2)CCCC1 ZINC000459545312 823216984 /nfs/dbraw/zinc/21/69/84/823216984.db2.gz PJGOVPFKCSQJSY-HXUWFJFHSA-N 1 2 381.451 4.259 20 0 GIADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409451046 823221290 /nfs/dbraw/zinc/22/12/90/823221290.db2.gz DLIDNAAJKFGXDJ-HGHGUNKESA-N 1 2 387.499 4.105 20 0 GIADLO C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1C(F)(F)F ZINC000056853859 823224672 /nfs/dbraw/zinc/22/46/72/823224672.db2.gz RDBILYQBGXVSMV-AWEZNQCLSA-N 1 2 392.425 4.130 20 0 GIADLO O=C(CC[N@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)Nc1cccnc1 ZINC000459587197 823225831 /nfs/dbraw/zinc/22/58/31/823225831.db2.gz FNQASDVCOZZMEY-SFHVURJKSA-N 1 2 383.883 4.167 20 0 GIADLO O=C(CC[N@@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)Nc1cccnc1 ZINC000459587197 823225834 /nfs/dbraw/zinc/22/58/34/823225834.db2.gz FNQASDVCOZZMEY-SFHVURJKSA-N 1 2 383.883 4.167 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H]1CCc1ccccc1 ZINC000056872934 823226483 /nfs/dbraw/zinc/22/64/83/823226483.db2.gz GUFMJSHJQAJUPU-QHCPKHFHSA-N 1 2 388.515 4.238 20 0 GIADLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000459594987 823227052 /nfs/dbraw/zinc/22/70/52/823227052.db2.gz QMLWNYMGEWVMKL-UHFFFAOYSA-N 1 2 385.537 4.069 20 0 GIADLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000459594987 823227056 /nfs/dbraw/zinc/22/70/56/823227056.db2.gz QMLWNYMGEWVMKL-UHFFFAOYSA-N 1 2 385.537 4.069 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)[C@@H](C)c3nc(-c4ccccc4C)no3)[nH+]c12 ZINC000176518632 823227736 /nfs/dbraw/zinc/22/77/36/823227736.db2.gz FYDPQPZZPBITSR-KUNJGFBQSA-N 1 2 380.473 4.011 20 0 GIADLO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](C)c1nc3c(s1)CCC3)n2CC ZINC000459630070 823232709 /nfs/dbraw/zinc/23/27/09/823232709.db2.gz HXPHLHYUJQFXKP-ZDUSSCGKSA-N 1 2 398.532 4.029 20 0 GIADLO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](C)c1nc3c(s1)CCC3)n2CC ZINC000459630069 823232733 /nfs/dbraw/zinc/23/27/33/823232733.db2.gz HXPHLHYUJQFXKP-CYBMUJFWSA-N 1 2 398.532 4.029 20 0 GIADLO CCOc1ccc([C@H]2CCCN2C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000056894661 823229110 /nfs/dbraw/zinc/22/91/10/823229110.db2.gz IBPIIWSPOXUWPT-JOCHJYFZSA-N 1 2 390.487 4.318 20 0 GIADLO CC[C@H](C)c1ccc(NC(=O)C[S@@](=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000176533071 823231041 /nfs/dbraw/zinc/23/10/41/823231041.db2.gz FZJATSDJJAYXLT-QZXCRCNTSA-N 1 2 383.517 4.044 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000571786996 823234389 /nfs/dbraw/zinc/23/43/89/823234389.db2.gz ZWJLUADUYJYNAI-UHFFFAOYSA-N 1 2 388.471 4.162 20 0 GIADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057024692 823240778 /nfs/dbraw/zinc/24/07/78/823240778.db2.gz WTOHEVZBABOUQG-RBUKOAKNSA-N 1 2 395.547 4.358 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000121752112 823243331 /nfs/dbraw/zinc/24/33/31/823243331.db2.gz BXRXQNFEVTVLQI-LBPRGKRZSA-N 1 2 384.377 4.065 20 0 GIADLO CC(C)(C)c1nnc(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)[nH]1 ZINC000459666475 823245827 /nfs/dbraw/zinc/24/58/27/823245827.db2.gz BSDUPHJTGMXANL-UHFFFAOYSA-N 1 2 391.235 4.173 20 0 GIADLO Cc1csc(-c2cccc(S(=O)(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c2)n1 ZINC000409550693 823247847 /nfs/dbraw/zinc/24/78/47/823247847.db2.gz GGYRWGNURKLFQQ-UHFFFAOYSA-N 1 2 396.497 4.105 20 0 GIADLO C[N@H+](CC1CC1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@H]2CCCO2)c1=S ZINC000057088796 823248443 /nfs/dbraw/zinc/24/84/43/823248443.db2.gz DYMVNUGVABTPAQ-MRXNPFEDSA-N 1 2 397.548 4.041 20 0 GIADLO C[N@@H+](CC1CC1)Cn1nc(-c2c[nH]c3ccccc23)n(C[C@H]2CCCO2)c1=S ZINC000057088796 823248444 /nfs/dbraw/zinc/24/84/44/823248444.db2.gz DYMVNUGVABTPAQ-MRXNPFEDSA-N 1 2 397.548 4.041 20 0 GIADLO COc1ccccc1[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)OC(C)C ZINC000188483614 823248492 /nfs/dbraw/zinc/24/84/92/823248492.db2.gz WBUAXEMNJWGRLF-NHCUHLMSSA-N 1 2 383.467 4.403 20 0 GIADLO Fc1ccc(C[C@H]2CCC[N@@H+]2Cn2nc(N3CCCC3)sc2=S)cc1 ZINC000057091266 823249101 /nfs/dbraw/zinc/24/91/01/823249101.db2.gz JPDIINVGCYKZIQ-MRXNPFEDSA-N 1 2 378.542 4.078 20 0 GIADLO Fc1ccc(C[C@H]2CCC[N@H+]2Cn2nc(N3CCCC3)sc2=S)cc1 ZINC000057091266 823249102 /nfs/dbraw/zinc/24/91/02/823249102.db2.gz JPDIINVGCYKZIQ-MRXNPFEDSA-N 1 2 378.542 4.078 20 0 GIADLO CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121798717 823253764 /nfs/dbraw/zinc/25/37/64/823253764.db2.gz RYZZLXFZZXNDRJ-UHFFFAOYSA-N 1 2 392.425 4.042 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000176643357 823256298 /nfs/dbraw/zinc/25/62/98/823256298.db2.gz ZBXWCMKMWYZEKZ-VXKWHMMOSA-N 1 2 392.547 4.133 20 0 GIADLO COc1ccc2c(c1)oc(C(=O)NCCCn1cc[nH+]c1)c2-c1ccccc1 ZINC000057182952 823260429 /nfs/dbraw/zinc/26/04/29/823260429.db2.gz GEFSNGBNAJTSMM-UHFFFAOYSA-N 1 2 375.428 4.125 20 0 GIADLO Cc1cc(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)nc(C2CC2)[nH+]1 ZINC000188550181 823260940 /nfs/dbraw/zinc/26/09/40/823260940.db2.gz MNHWWILMRJWMKI-UHFFFAOYSA-N 1 2 393.409 4.049 20 0 GIADLO Cc1cc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)cc(N2CCCC2)n1 ZINC000571963871 823261395 /nfs/dbraw/zinc/26/13/95/823261395.db2.gz ULJKDWOQZFFDQH-QHCPKHFHSA-N 1 2 376.479 4.404 20 0 GIADLO Cc1cccc(NC(=O)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1C ZINC000188556798 823261523 /nfs/dbraw/zinc/26/15/23/823261523.db2.gz QSEHHDOIKCROSP-UHFFFAOYSA-N 1 2 388.471 4.080 20 0 GIADLO COc1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1SC ZINC000459775467 823263452 /nfs/dbraw/zinc/26/34/52/823263452.db2.gz QHCXTKNTHIPPLP-UHFFFAOYSA-N 1 2 388.537 4.338 20 0 GIADLO Brc1cccc2c1OCC[C@H]2Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000409635453 823268782 /nfs/dbraw/zinc/26/87/82/823268782.db2.gz LEZWDMJUPYQPTA-OAHLLOKOSA-N 1 2 389.297 4.165 20 0 GIADLO Brc1cccc2c1OCC[C@H]2Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000409635453 823268786 /nfs/dbraw/zinc/26/87/86/823268786.db2.gz LEZWDMJUPYQPTA-OAHLLOKOSA-N 1 2 389.297 4.165 20 0 GIADLO Cc1nc(CC2CC2)sc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000188594930 823269144 /nfs/dbraw/zinc/26/91/44/823269144.db2.gz JAEXHYZFAZQIQM-GASCZTMLSA-N 1 2 399.560 4.266 20 0 GIADLO Cc1nc(CC2CC2)sc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000188594930 823269149 /nfs/dbraw/zinc/26/91/49/823269149.db2.gz JAEXHYZFAZQIQM-GASCZTMLSA-N 1 2 399.560 4.266 20 0 GIADLO Brc1cccc(Nc2nnc(SCCn3cc[nH+]c3)s2)c1 ZINC000121885200 823270131 /nfs/dbraw/zinc/27/01/31/823270131.db2.gz IZECOGADLHETFC-UHFFFAOYSA-N 1 2 382.312 4.033 20 0 GIADLO CC[NH+](CC)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1Cl ZINC000005293544 817570002 /nfs/dbraw/zinc/57/00/02/817570002.db2.gz OOVPMEHEXLJNAV-IUOVYFEOSA-N 1 2 375.856 4.456 20 0 GIADLO Cc1cccn2cc(CC(=O)N3CCC(c4c[nH]c5ccc(F)cc54)CC3)[nH+]c12 ZINC000572071070 823278117 /nfs/dbraw/zinc/27/81/17/823278117.db2.gz KJJNRJOTJREMKD-UHFFFAOYSA-N 1 2 390.462 4.212 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](C)Cn2ccn(-c3cc(C)ccc3C)c2=S)cc1 ZINC000007317431 817817425 /nfs/dbraw/zinc/81/74/25/817817425.db2.gz DBNQGJNMMJLPKW-UHFFFAOYSA-N 1 2 394.544 4.074 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](C)Cn2ccn(-c3cc(C)ccc3C)c2=S)cc1 ZINC000007317431 817817434 /nfs/dbraw/zinc/81/74/34/817817434.db2.gz DBNQGJNMMJLPKW-UHFFFAOYSA-N 1 2 394.544 4.074 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)c(C)c1 ZINC000007374070 817826810 /nfs/dbraw/zinc/82/68/10/817826810.db2.gz PSDNDGUYQISEJR-UHFFFAOYSA-N 1 2 392.499 4.406 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)c(C)c1 ZINC000007374070 817826818 /nfs/dbraw/zinc/82/68/18/817826818.db2.gz PSDNDGUYQISEJR-UHFFFAOYSA-N 1 2 392.499 4.406 20 0 GIADLO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)C(=O)Nc1c(C)cc(C)cc1C)CC2 ZINC000007418584 817836445 /nfs/dbraw/zinc/83/64/45/817836445.db2.gz UAAVKXYETZKNPD-QGZVFWFLSA-N 1 2 382.504 4.014 20 0 GIADLO COc1cc2c(cc1OC)C[N@H+]([C@H](C)C(=O)Nc1c(C)cc(C)cc1C)CC2 ZINC000007418584 817836450 /nfs/dbraw/zinc/83/64/50/817836450.db2.gz UAAVKXYETZKNPD-QGZVFWFLSA-N 1 2 382.504 4.014 20 0 GIADLO Brc1ccccc1-c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000460136975 823293213 /nfs/dbraw/zinc/29/32/13/823293213.db2.gz GGCPLGAQEPSDNG-UHFFFAOYSA-N 1 2 381.233 4.411 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000572169560 823294062 /nfs/dbraw/zinc/29/40/62/823294062.db2.gz YMOBNIGEOIRRQX-IBGZPJMESA-N 1 2 397.931 4.481 20 0 GIADLO CSCc1cccnc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000572176056 823294883 /nfs/dbraw/zinc/29/48/83/823294883.db2.gz HYCMNXBMMVQSFI-UHFFFAOYSA-N 1 2 376.485 4.112 20 0 GIADLO CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H](C)c1ccc(F)cc1 ZINC000122026750 823295491 /nfs/dbraw/zinc/29/54/91/823295491.db2.gz ZRFNXBXENTWRHY-QGZVFWFLSA-N 1 2 380.467 4.363 20 0 GIADLO Cc1cccn2cc(CC(=O)Nc3cc(F)c(Br)c(Cl)c3)[nH+]c12 ZINC000572187913 823296671 /nfs/dbraw/zinc/29/66/71/823296671.db2.gz PCGQIJOSMBDURS-UHFFFAOYSA-N 1 2 396.647 4.379 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)cc1Br ZINC000007728995 817904165 /nfs/dbraw/zinc/90/41/65/817904165.db2.gz ZIGIZGXESZYOKP-UHFFFAOYSA-N 1 2 397.700 4.182 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)cc1Br ZINC000007728995 817904168 /nfs/dbraw/zinc/90/41/68/817904168.db2.gz ZIGIZGXESZYOKP-UHFFFAOYSA-N 1 2 397.700 4.182 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2C)c(OC)c1 ZINC000007739579 817905720 /nfs/dbraw/zinc/90/57/20/817905720.db2.gz AZJYOMZENKGOPN-LJQANCHMSA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2C)c(OC)c1 ZINC000007739579 817905725 /nfs/dbraw/zinc/90/57/25/817905725.db2.gz AZJYOMZENKGOPN-LJQANCHMSA-N 1 2 388.895 4.441 20 0 GIADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188769598 823301128 /nfs/dbraw/zinc/30/11/28/823301128.db2.gz UBLBKFAHESQCFJ-FQEVSTJZSA-N 1 2 398.304 4.021 20 0 GIADLO O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000188771930 823301698 /nfs/dbraw/zinc/30/16/98/823301698.db2.gz AVSDCLXCXYMPFL-OAHLLOKOSA-N 1 2 397.862 4.193 20 0 GIADLO CCOc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000409767898 823302949 /nfs/dbraw/zinc/30/29/49/823302949.db2.gz GYOGLGWAUKDXLP-UHFFFAOYSA-N 1 2 388.830 4.385 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000007914578 817956931 /nfs/dbraw/zinc/95/69/31/817956931.db2.gz UHLSGNDUPSXJPN-UHFFFAOYSA-N 1 2 388.895 4.189 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000007914578 817956934 /nfs/dbraw/zinc/95/69/34/817956934.db2.gz UHLSGNDUPSXJPN-UHFFFAOYSA-N 1 2 388.895 4.189 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCc2cccc(OC(C)C)c2)s1 ZINC000122097336 823306044 /nfs/dbraw/zinc/30/60/44/823306044.db2.gz CYUVXTRDIAYBMN-INIZCTEOSA-N 1 2 389.565 4.110 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCc2cccc(OC(C)C)c2)s1 ZINC000122097336 823306052 /nfs/dbraw/zinc/30/60/52/823306052.db2.gz CYUVXTRDIAYBMN-INIZCTEOSA-N 1 2 389.565 4.110 20 0 GIADLO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(SC(=O)N(C)C)c1)CC2 ZINC000176843224 823306825 /nfs/dbraw/zinc/30/68/25/823306825.db2.gz RJWDUHROERFPEN-UHFFFAOYSA-N 1 2 386.517 4.036 20 0 GIADLO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(SC(=O)N(C)C)c1)CC2 ZINC000176843224 823306832 /nfs/dbraw/zinc/30/68/32/823306832.db2.gz RJWDUHROERFPEN-UHFFFAOYSA-N 1 2 386.517 4.036 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)N(C)CCCOC(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572267700 823310469 /nfs/dbraw/zinc/31/04/69/823310469.db2.gz UTTHMERRROHWQJ-RBUKOAKNSA-N 1 2 399.938 4.071 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)N(C)CCCOC(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572267700 823310472 /nfs/dbraw/zinc/31/04/72/823310472.db2.gz UTTHMERRROHWQJ-RBUKOAKNSA-N 1 2 399.938 4.071 20 0 GIADLO CSCc1cnc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 ZINC000572292829 823314916 /nfs/dbraw/zinc/31/49/16/823314916.db2.gz UNSXMNJMKXLCDE-GFCCVEGCSA-N 1 2 376.526 4.490 20 0 GIADLO CCn1nc(C)c(C[N@H+](CC)CC(=O)Nc2c(Cl)cccc2Cl)c1C ZINC000122150839 823313459 /nfs/dbraw/zinc/31/34/59/823313459.db2.gz KGBBRYUKBVHBNX-UHFFFAOYSA-N 1 2 383.323 4.287 20 0 GIADLO CCn1nc(C)c(C[N@@H+](CC)CC(=O)Nc2c(Cl)cccc2Cl)c1C ZINC000122150839 823313462 /nfs/dbraw/zinc/31/34/62/823313462.db2.gz KGBBRYUKBVHBNX-UHFFFAOYSA-N 1 2 383.323 4.287 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(OC(C)(C)C)cc2)c1C ZINC000057619463 823315704 /nfs/dbraw/zinc/31/57/04/823315704.db2.gz JCIKHUIBGAUHHI-UHFFFAOYSA-N 1 2 385.508 4.226 20 0 GIADLO CCOc1ccccc1OCCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000572309553 823317926 /nfs/dbraw/zinc/31/79/26/823317926.db2.gz FSRMXGLWTXLLTG-WGSAOQKQSA-N 1 2 397.519 4.179 20 0 GIADLO C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000122182601 823317924 /nfs/dbraw/zinc/31/79/24/823317924.db2.gz RWYHHDQEVGVMTA-INIZCTEOSA-N 1 2 387.524 4.256 20 0 GIADLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000012980067 818198640 /nfs/dbraw/zinc/19/86/40/818198640.db2.gz GTVCWGCLRHPXQW-SNVBAGLBSA-N 1 2 380.217 4.424 20 0 GIADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000012980067 818198643 /nfs/dbraw/zinc/19/86/43/818198643.db2.gz GTVCWGCLRHPXQW-SNVBAGLBSA-N 1 2 380.217 4.424 20 0 GIADLO C[C@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000409830482 823319333 /nfs/dbraw/zinc/31/93/33/823319333.db2.gz SHORSXDUKAFAGK-LSDHHAIUSA-N 1 2 379.426 4.024 20 0 GIADLO CCSc1cccc(Br)c1NC(=O)NCCCCn1cc[nH+]c1 ZINC000572327626 823321450 /nfs/dbraw/zinc/32/14/50/823321450.db2.gz PPQNRXIVHKKEHJ-UHFFFAOYSA-N 1 2 397.342 4.360 20 0 GIADLO Cc1ccccc1N1CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000014218349 818229302 /nfs/dbraw/zinc/22/93/02/818229302.db2.gz KIABVIHXMQTWJO-UHFFFAOYSA-N 1 2 393.512 4.169 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000014326162 818235012 /nfs/dbraw/zinc/23/50/12/818235012.db2.gz OUEVFZHZDXUNCJ-UHFFFAOYSA-N 1 2 391.471 4.149 20 0 GIADLO O=C(N[C@@H]1CCc2c1cccc2Br)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000057693080 823322334 /nfs/dbraw/zinc/32/23/34/823322334.db2.gz OXXKPMMFZPCWRT-LJQANCHMSA-N 1 2 396.288 4.111 20 0 GIADLO Fc1ccc(NC(=S)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000015152061 818295614 /nfs/dbraw/zinc/29/56/14/818295614.db2.gz BINVCVSLPJNHDO-UHFFFAOYSA-N 1 2 397.441 4.359 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2OCCn2cc[nH+]c2)o1 ZINC000409852988 823326821 /nfs/dbraw/zinc/32/68/21/823326821.db2.gz MAVZYXYFSBNYTO-XMTFNYHQSA-N 1 2 391.471 4.421 20 0 GIADLO CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000015294150 818307659 /nfs/dbraw/zinc/30/76/59/818307659.db2.gz LRGLAMTWDWFGBC-UTKZUKDTSA-N 1 2 396.531 4.108 20 0 GIADLO CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000015294150 818307668 /nfs/dbraw/zinc/30/76/68/818307668.db2.gz LRGLAMTWDWFGBC-UTKZUKDTSA-N 1 2 396.531 4.108 20 0 GIADLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000015301399 818309861 /nfs/dbraw/zinc/30/98/61/818309861.db2.gz QPPIRZASUBNZCX-OAHLLOKOSA-N 1 2 392.546 4.324 20 0 GIADLO CCOC(=O)c1cc(CC)sc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000015301399 818309869 /nfs/dbraw/zinc/30/98/69/818309869.db2.gz QPPIRZASUBNZCX-OAHLLOKOSA-N 1 2 392.546 4.324 20 0 GIADLO C[C@H](Nc1cnn(CC[NH+]2CCOCC2)c1)c1cccc(-c2ccccc2)c1 ZINC000572390478 823331949 /nfs/dbraw/zinc/33/19/49/823331949.db2.gz JBTNLERVJQFDSM-IBGZPJMESA-N 1 2 376.504 4.055 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc(OC)cc3OC)n2)cc1 ZINC000015367291 818318362 /nfs/dbraw/zinc/31/83/62/818318362.db2.gz DICXVQRIJQINLH-IBGZPJMESA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc(OC)cc3OC)n2)cc1 ZINC000015367291 818318367 /nfs/dbraw/zinc/31/83/67/818318367.db2.gz DICXVQRIJQINLH-IBGZPJMESA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SC(F)F)cc1F ZINC000057752296 823328417 /nfs/dbraw/zinc/32/84/17/823328417.db2.gz YTHKGPTVCYDARC-UHFFFAOYSA-N 1 2 384.423 4.220 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC(F)F)cc1F ZINC000057752296 823328424 /nfs/dbraw/zinc/32/84/24/823328424.db2.gz YTHKGPTVCYDARC-UHFFFAOYSA-N 1 2 384.423 4.220 20 0 GIADLO CCc1ccc([C@@H]2COCC[N@@H+]2CCC(=O)Nc2cccc3ccccc32)o1 ZINC000572371067 823328863 /nfs/dbraw/zinc/32/88/63/823328863.db2.gz LXHIULZSGQSWRN-NRFANRHFSA-N 1 2 378.472 4.397 20 0 GIADLO CCc1ccc([C@@H]2COCC[N@H+]2CCC(=O)Nc2cccc3ccccc32)o1 ZINC000572371067 823328866 /nfs/dbraw/zinc/32/88/66/823328866.db2.gz LXHIULZSGQSWRN-NRFANRHFSA-N 1 2 378.472 4.397 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000572394201 823332192 /nfs/dbraw/zinc/33/21/92/823332192.db2.gz QRLYPKGBWRIVTB-UHFFFAOYSA-N 1 2 399.292 4.324 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000409868133 823330643 /nfs/dbraw/zinc/33/06/43/823330643.db2.gz BZDJRHPOTGXSRS-XBVQOTNRSA-N 1 2 379.435 4.148 20 0 GIADLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1C ZINC000015767374 818367180 /nfs/dbraw/zinc/36/71/80/818367180.db2.gz XEAKRYAUVNELBX-UHFFFAOYSA-N 1 2 376.422 4.280 20 0 GIADLO CCSc1ccc(Cl)cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000176947539 823331482 /nfs/dbraw/zinc/33/14/82/823331482.db2.gz NIXRWUDTDIBSNU-UHFFFAOYSA-N 1 2 375.925 4.246 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2)nc(C(C)C)[nH+]1 ZINC000016103345 818393250 /nfs/dbraw/zinc/39/32/50/818393250.db2.gz UBMKYCVKXAIARW-OAHLLOKOSA-N 1 2 398.576 4.057 20 0 GIADLO O=C(C[NH+](Cc1cccs1)Cc1cccs1)N1CCc2ccccc2C1 ZINC000016396806 818434632 /nfs/dbraw/zinc/43/46/32/818434632.db2.gz MHDSJUMKXGSEQZ-UHFFFAOYSA-N 1 2 382.554 4.397 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)CC2 ZINC000016418889 818440417 /nfs/dbraw/zinc/44/04/17/818440417.db2.gz GIDUJADMWLGPQO-KRWDZBQOSA-N 1 2 382.504 4.178 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)CC2 ZINC000016418889 818440418 /nfs/dbraw/zinc/44/04/18/818440418.db2.gz GIDUJADMWLGPQO-KRWDZBQOSA-N 1 2 382.504 4.178 20 0 GIADLO C[N@H+](Cc1csc(-c2ccccc2)n1)Cc1ccccc1N1CCOCC1 ZINC000016424375 818441389 /nfs/dbraw/zinc/44/13/89/818441389.db2.gz QILRFDHEFIJQMM-UHFFFAOYSA-N 1 2 379.529 4.279 20 0 GIADLO C[N@@H+](Cc1csc(-c2ccccc2)n1)Cc1ccccc1N1CCOCC1 ZINC000016424375 818441396 /nfs/dbraw/zinc/44/13/96/818441396.db2.gz QILRFDHEFIJQMM-UHFFFAOYSA-N 1 2 379.529 4.279 20 0 GIADLO COc1cccc(C[N@@H+](Cc2nc(-c3ccccc3F)no2)C[C@@H]2CCCO2)c1 ZINC000188977739 823337126 /nfs/dbraw/zinc/33/71/26/823337126.db2.gz YIMLJYKCVILDAV-SFHVURJKSA-N 1 2 397.450 4.066 20 0 GIADLO COc1cccc(C[N@H+](Cc2nc(-c3ccccc3F)no2)C[C@@H]2CCCO2)c1 ZINC000188977739 823337131 /nfs/dbraw/zinc/33/71/31/823337131.db2.gz YIMLJYKCVILDAV-SFHVURJKSA-N 1 2 397.450 4.066 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000016632510 818461191 /nfs/dbraw/zinc/46/11/91/818461191.db2.gz YWCSDJLYNCAYPT-UHFFFAOYSA-N 1 2 380.275 4.022 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000016632510 818461197 /nfs/dbraw/zinc/46/11/97/818461197.db2.gz YWCSDJLYNCAYPT-UHFFFAOYSA-N 1 2 380.275 4.022 20 0 GIADLO Cc1cc(CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)no1 ZINC000016927603 818489303 /nfs/dbraw/zinc/48/93/03/818489303.db2.gz RJHNQEJAAZETDB-GFCCVEGCSA-N 1 2 377.901 4.132 20 0 GIADLO CSCc1cccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000572462204 823344709 /nfs/dbraw/zinc/34/47/09/823344709.db2.gz VQDNUCMAUIOZQE-UHFFFAOYSA-N 1 2 384.549 4.494 20 0 GIADLO CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000409928554 823345889 /nfs/dbraw/zinc/34/58/89/823345889.db2.gz XNZUCNHWFVHVHQ-UHFFFAOYSA-N 1 2 393.535 4.047 20 0 GIADLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000020543257 818624728 /nfs/dbraw/zinc/62/47/28/818624728.db2.gz TWUXZQBODTXZIQ-UHFFFAOYSA-N 1 2 394.302 4.352 20 0 GIADLO Cc1c(C(=O)Nc2cccc3[nH+]ccn32)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000460323758 823353713 /nfs/dbraw/zinc/35/37/13/823353713.db2.gz IZKNYQHBZFKOSX-UHFFFAOYSA-N 1 2 394.438 4.143 20 0 GIADLO CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)c1ccc(F)cc1 ZINC000122438806 823354021 /nfs/dbraw/zinc/35/40/21/823354021.db2.gz OLFDAHZMWUPVII-QGZVFWFLSA-N 1 2 380.467 4.363 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3cc(Cl)nc(Cl)c3)n2)CC1 ZINC000021135557 818657575 /nfs/dbraw/zinc/65/75/75/818657575.db2.gz OETPMWAJLOVXKA-UHFFFAOYSA-N 1 2 385.320 4.329 20 0 GIADLO CC1(C)C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@@H]1[C@H]1CCCO1 ZINC000572529974 823354984 /nfs/dbraw/zinc/35/49/84/823354984.db2.gz BSVXTHHLGBRDHI-IAGOWNOFSA-N 1 2 391.309 4.494 20 0 GIADLO CC1(C)C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@@H]1[C@H]1CCCO1 ZINC000572529974 823354991 /nfs/dbraw/zinc/35/49/91/823354991.db2.gz BSVXTHHLGBRDHI-IAGOWNOFSA-N 1 2 391.309 4.494 20 0 GIADLO Fc1ccc(Cn2cc(C[NH2+]Cc3csc(-c4ccccc4)n3)cn2)cc1 ZINC000189090081 823355751 /nfs/dbraw/zinc/35/57/51/823355751.db2.gz WFILVGONLKGUFQ-UHFFFAOYSA-N 1 2 378.476 4.484 20 0 GIADLO C[C@H](CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccc(Br)cc1 ZINC000122456790 823357127 /nfs/dbraw/zinc/35/71/27/823357127.db2.gz VZWBYEREIVMPLN-LLVKDONJSA-N 1 2 394.338 4.026 20 0 GIADLO C[C@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccc(Br)cc1 ZINC000122456790 823357139 /nfs/dbraw/zinc/35/71/39/823357139.db2.gz VZWBYEREIVMPLN-LLVKDONJSA-N 1 2 394.338 4.026 20 0 GIADLO C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000460335852 823357182 /nfs/dbraw/zinc/35/71/82/823357182.db2.gz QKEXCQHPMCKNOE-LLVKDONJSA-N 1 2 376.279 4.216 20 0 GIADLO Cc1ccc2nc(COc3cccc(C(=O)Nc4cccc5[nH+]ccn54)c3)cn2c1 ZINC000460337842 823357824 /nfs/dbraw/zinc/35/78/24/823357824.db2.gz ZVVSQASXNYSJCN-UHFFFAOYSA-N 1 2 397.438 4.122 20 0 GIADLO O=C(Nc1cccc2[nH+]ccn21)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000460339299 823358135 /nfs/dbraw/zinc/35/81/35/823358135.db2.gz BOMIVXNBZDBVFF-HXUWFJFHSA-N 1 2 379.366 4.371 20 0 GIADLO COC(=O)c1c(C[NH2+][C@@H](C)c2cn[nH]c2)nc2ccccc2c1-c1ccccc1 ZINC000460343865 823359275 /nfs/dbraw/zinc/35/92/75/823359275.db2.gz SPWPFNSPDKBWFB-HNNXBMFYSA-N 1 2 386.455 4.262 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000058074367 823359990 /nfs/dbraw/zinc/35/99/90/823359990.db2.gz HWWWFDWPOOTVPB-UHFFFAOYSA-N 1 2 387.443 4.272 20 0 GIADLO O=C(CSc1ccc(F)c(Cl)c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000021910918 818754983 /nfs/dbraw/zinc/75/49/83/818754983.db2.gz GHTMLVIEZHNEIN-UHFFFAOYSA-N 1 2 394.899 4.042 20 0 GIADLO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000572558792 823360833 /nfs/dbraw/zinc/36/08/33/823360833.db2.gz NWBBHUVYSHGBQY-GOSISDBHSA-N 1 2 376.522 4.229 20 0 GIADLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000572558792 823360839 /nfs/dbraw/zinc/36/08/39/823360839.db2.gz NWBBHUVYSHGBQY-GOSISDBHSA-N 1 2 376.522 4.229 20 0 GIADLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[nH+]1 ZINC000022089984 818771303 /nfs/dbraw/zinc/77/13/03/818771303.db2.gz HVLNVKUWLJUJOL-QMMMGPOBSA-N 1 2 390.818 4.159 20 0 GIADLO Cn1c[nH+]cc1CNC(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC000460358446 823363271 /nfs/dbraw/zinc/36/32/71/823363271.db2.gz LIGLDSHQLMMAQD-UHFFFAOYSA-N 1 2 389.286 4.393 20 0 GIADLO COc1ccc2nc(C)c(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)cc2c1 ZINC000022290671 818790711 /nfs/dbraw/zinc/79/07/11/818790711.db2.gz AFYSFRLNLRFCML-UHFFFAOYSA-N 1 2 396.516 4.247 20 0 GIADLO Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022290721 818790928 /nfs/dbraw/zinc/79/09/28/818790928.db2.gz VMFLAWIVOJUTQC-UHFFFAOYSA-N 1 2 398.536 4.015 20 0 GIADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022498379 818818329 /nfs/dbraw/zinc/81/83/29/818818329.db2.gz GPHYDSLSEHXWKE-HNNXBMFYSA-N 1 2 390.936 4.292 20 0 GIADLO CN(C)C(=O)Sc1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000177078303 823365664 /nfs/dbraw/zinc/36/56/64/823365664.db2.gz YYBWRUFUNSAYTB-UHFFFAOYSA-N 1 2 375.563 4.428 20 0 GIADLO CN(C)C(=O)Sc1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000177078303 823365672 /nfs/dbraw/zinc/36/56/72/823365672.db2.gz YYBWRUFUNSAYTB-UHFFFAOYSA-N 1 2 375.563 4.428 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccccc2F)no1)c1ccc(Br)cc1 ZINC000189160532 823367787 /nfs/dbraw/zinc/36/77/87/823367787.db2.gz MNBJYOLBLQFCPJ-NSHDSACASA-N 1 2 376.229 4.489 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000572603831 823368251 /nfs/dbraw/zinc/36/82/51/823368251.db2.gz LEZMUIPFHSSSLR-FPOVZHCZSA-N 1 2 380.536 4.335 20 0 GIADLO C[N@H+](Cn1nc(-c2cccnc2)n(C2CC2)c1=S)[C@@H]1CCc2ccccc21 ZINC000022758548 818857135 /nfs/dbraw/zinc/85/71/35/818857135.db2.gz GNEYADKLHJWWRJ-LJQANCHMSA-N 1 2 377.517 4.388 20 0 GIADLO C[N@@H+](Cn1nc(-c2cccnc2)n(C2CC2)c1=S)[C@@H]1CCc2ccccc21 ZINC000022758548 818857142 /nfs/dbraw/zinc/85/71/42/818857142.db2.gz GNEYADKLHJWWRJ-LJQANCHMSA-N 1 2 377.517 4.388 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022773850 818859665 /nfs/dbraw/zinc/85/96/65/818859665.db2.gz QSEZHDCAIRFXQV-XYOKQWHBSA-N 1 2 391.559 4.388 20 0 GIADLO CCc1ccccc1NC(=O)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000022787164 818860931 /nfs/dbraw/zinc/86/09/31/818860931.db2.gz YMHYRKPFHXYPQK-QGZVFWFLSA-N 1 2 385.939 4.220 20 0 GIADLO CC(C)CCC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000177094514 823370221 /nfs/dbraw/zinc/37/02/21/823370221.db2.gz MZHZAZCSQCVYGI-KRWDZBQOSA-N 1 2 396.535 4.156 20 0 GIADLO C[C@@H]1CC(CCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C[C@@H](C)O1 ZINC000572620621 823370306 /nfs/dbraw/zinc/37/03/06/823370306.db2.gz PRSGOZOLLGJCLM-XWOARTFESA-N 1 2 396.535 4.005 20 0 GIADLO CN(C)C(=O)C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)c1ccccc1 ZINC000572627670 823371664 /nfs/dbraw/zinc/37/16/64/823371664.db2.gz FCCZOJODECTTLV-OAHLLOKOSA-N 1 2 391.393 4.156 20 0 GIADLO CC[NH+](CC)[C@H](CN[C@@H](c1nc[nH]n1)c1ccccc1)c1ccccc1Cl ZINC000572639480 823372992 /nfs/dbraw/zinc/37/29/92/823372992.db2.gz JKISLFGSMNJKBL-WOJBJXKFSA-N 1 2 383.927 4.220 20 0 GIADLO O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000189197973 823374244 /nfs/dbraw/zinc/37/42/44/823374244.db2.gz VBUCLUODRPKYDN-OAHLLOKOSA-N 1 2 390.833 4.188 20 0 GIADLO Cc1ccc(CC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1C ZINC000023660272 818971618 /nfs/dbraw/zinc/97/16/18/818971618.db2.gz WJIBGXMAGXYHNQ-UHFFFAOYSA-N 1 2 391.540 4.499 20 0 GIADLO Cc1ccc(CC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1C ZINC000023660272 818971625 /nfs/dbraw/zinc/97/16/25/818971625.db2.gz WJIBGXMAGXYHNQ-UHFFFAOYSA-N 1 2 391.540 4.499 20 0 GIADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000177124189 823377050 /nfs/dbraw/zinc/37/70/50/823377050.db2.gz XHDKNMMCBGXSDX-NRFANRHFSA-N 1 2 376.504 4.095 20 0 GIADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000177124189 823377057 /nfs/dbraw/zinc/37/70/57/823377057.db2.gz XHDKNMMCBGXSDX-NRFANRHFSA-N 1 2 376.504 4.095 20 0 GIADLO Cc1nc(COc2cccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c2)cs1 ZINC000023890170 818989957 /nfs/dbraw/zinc/98/99/57/818989957.db2.gz DAAMPOYIIJJCHK-UHFFFAOYSA-N 1 2 390.468 4.469 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)NCC1(Cc2ccccc2)CCC1 ZINC000572690388 823383785 /nfs/dbraw/zinc/38/37/85/823383785.db2.gz IMWCBORUIGDQKV-UHFFFAOYSA-N 1 2 388.515 4.144 20 0 GIADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000024291542 819043226 /nfs/dbraw/zinc/04/32/26/819043226.db2.gz NURCTAAGKLOUQG-UHFFFAOYSA-N 1 2 391.515 4.060 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000122679177 823393131 /nfs/dbraw/zinc/39/31/31/823393131.db2.gz HHGUIBPXIWCIHH-UHFFFAOYSA-N 1 2 398.894 4.120 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000122679177 823393138 /nfs/dbraw/zinc/39/31/38/823393138.db2.gz HHGUIBPXIWCIHH-UHFFFAOYSA-N 1 2 398.894 4.120 20 0 GIADLO Cc1nc([C@@H](C)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)no1 ZINC000572767048 823394853 /nfs/dbraw/zinc/39/48/53/823394853.db2.gz XWQGZCGPOYCRNU-IIBYNOLFSA-N 1 2 396.922 4.500 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000189360674 823400748 /nfs/dbraw/zinc/40/07/48/823400748.db2.gz DVMICYAKDMZIER-UHFFFAOYSA-N 1 2 376.888 4.269 20 0 GIADLO COc1ccc2cc(CNC(=O)N(C)Cc3[nH+]cc(C)c(OC)c3C)ccc2c1 ZINC000058514448 823402660 /nfs/dbraw/zinc/40/26/60/823402660.db2.gz ZFRJPJASSMUUSG-UHFFFAOYSA-N 1 2 393.487 4.210 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000058578724 823411713 /nfs/dbraw/zinc/41/17/13/823411713.db2.gz QAPRCIZMKJCHRA-UHFFFAOYSA-N 1 2 383.561 4.425 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000058578724 823411718 /nfs/dbraw/zinc/41/17/18/823411718.db2.gz QAPRCIZMKJCHRA-UHFFFAOYSA-N 1 2 383.561 4.425 20 0 GIADLO COc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)sc1Br ZINC000122773542 823409647 /nfs/dbraw/zinc/40/96/47/823409647.db2.gz HZTRBUXJZDESKB-UHFFFAOYSA-N 1 2 378.251 4.162 20 0 GIADLO CCOc1ccc(-c2nc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cs2)cc1 ZINC000122825731 823418967 /nfs/dbraw/zinc/41/89/67/823418967.db2.gz YYBBKYCVARTSAB-DNVCBOLYSA-N 1 2 396.516 4.129 20 0 GIADLO CCOc1ccc(OCC)c(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000058609558 823416603 /nfs/dbraw/zinc/41/66/03/823416603.db2.gz YGGSWOQHSBZXBV-UHFFFAOYSA-N 1 2 387.480 4.168 20 0 GIADLO C[C@H]1CCN(C(=O)CSc2cc(Cl)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000122814912 823417301 /nfs/dbraw/zinc/41/73/01/823417301.db2.gz VXIPKVWAOLHJTH-SWLSCSKDSA-N 1 2 384.332 4.392 20 0 GIADLO c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000572943841 823424662 /nfs/dbraw/zinc/42/46/62/823424662.db2.gz QKLOZPCQPYJELH-UHFFFAOYSA-N 1 2 379.485 4.102 20 0 GIADLO CC(C)[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccc(F)cc1 ZINC000410209445 823420565 /nfs/dbraw/zinc/42/05/65/823420565.db2.gz VKBCTSBHIJGOGL-UWJYYQICSA-N 1 2 384.499 4.006 20 0 GIADLO COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(Cn3cc[nH+]c3)c1)[C@H]2C ZINC000573004481 823432434 /nfs/dbraw/zinc/43/24/34/823432434.db2.gz DTYIOYIHQDDGEU-SJORKVTESA-N 1 2 375.472 4.088 20 0 GIADLO CC(=O)c1cccc(OCCCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000058694989 823433266 /nfs/dbraw/zinc/43/32/66/823433266.db2.gz DZVJWGFYSJCMKJ-UHFFFAOYSA-N 1 2 381.407 4.012 20 0 GIADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410250552 823434250 /nfs/dbraw/zinc/43/42/50/823434250.db2.gz FJABSFVLHZBAKC-CVEARBPZSA-N 1 2 387.911 4.046 20 0 GIADLO O=C(CSCc1ccc(Cl)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024747935 819872823 /nfs/dbraw/zinc/87/28/23/819872823.db2.gz YCRGNWTTZSDPKM-UHFFFAOYSA-N 1 2 385.920 4.134 20 0 GIADLO O=C(Cc1coc2cc3c(cc12)CCC3)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024747405 819872955 /nfs/dbraw/zinc/87/29/55/819872955.db2.gz GPOYEQFFNOMYCK-UHFFFAOYSA-N 1 2 385.467 4.025 20 0 GIADLO O=C(Cc1ccc(-c2ccccc2)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024754057 819874114 /nfs/dbraw/zinc/87/41/14/819874114.db2.gz FMRZNLVEMNYTSA-UHFFFAOYSA-N 1 2 381.479 4.457 20 0 GIADLO COc1cc(C)c(C[N@H+](C)Cc2nc(-c3cccc(Cl)c3)no2)cc1OC ZINC000024801227 819878191 /nfs/dbraw/zinc/87/81/91/819878191.db2.gz AIKLNMNZPWTEDU-UHFFFAOYSA-N 1 2 387.867 4.348 20 0 GIADLO COc1cc(C)c(C[N@@H+](C)Cc2nc(-c3cccc(Cl)c3)no2)cc1OC ZINC000024801227 819878198 /nfs/dbraw/zinc/87/81/98/819878198.db2.gz AIKLNMNZPWTEDU-UHFFFAOYSA-N 1 2 387.867 4.348 20 0 GIADLO Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H](C)CO2)c1 ZINC000460565306 823435200 /nfs/dbraw/zinc/43/52/00/823435200.db2.gz OBDSVTATDRJXOQ-XMSQKQJNSA-N 1 2 375.472 4.091 20 0 GIADLO CCCCOc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410253589 823435462 /nfs/dbraw/zinc/43/54/62/823435462.db2.gz CVDVKXFLAKDVRB-IBGZPJMESA-N 1 2 381.520 4.418 20 0 GIADLO CCCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1C ZINC000024856503 819884851 /nfs/dbraw/zinc/88/48/51/819884851.db2.gz BOMGGXYKXANBQO-UHFFFAOYSA-N 1 2 381.520 4.048 20 0 GIADLO COc1ccc(-c2ccc(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)cc1 ZINC000460566585 823435669 /nfs/dbraw/zinc/43/56/69/823435669.db2.gz SIQVQAGFWJSAHE-UHFFFAOYSA-N 1 2 383.451 4.478 20 0 GIADLO Cc1ccc(SCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000410257759 823436902 /nfs/dbraw/zinc/43/69/02/823436902.db2.gz SEENOKSJIDGXSI-GOSISDBHSA-N 1 2 383.561 4.335 20 0 GIADLO O=C(C[C@@H]1CCc2ccccc2C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410260898 823438255 /nfs/dbraw/zinc/43/82/55/823438255.db2.gz WJCLMPKISBJIMB-WIYYLYMNSA-N 1 2 377.532 4.121 20 0 GIADLO COc1ccc(C[NH2+]Cc2nccc(C(F)F)n2)cc1OCc1ccccc1 ZINC000573040255 823438334 /nfs/dbraw/zinc/43/83/34/823438334.db2.gz YGBAOMQGJPZBEQ-UHFFFAOYSA-N 1 2 385.414 4.292 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253108 819950723 /nfs/dbraw/zinc/95/07/23/819950723.db2.gz AKZDJNMIYYNKSQ-LLVKDONJSA-N 1 2 388.336 4.322 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253108 819950727 /nfs/dbraw/zinc/95/07/27/819950727.db2.gz AKZDJNMIYYNKSQ-LLVKDONJSA-N 1 2 388.336 4.322 20 0 GIADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025257552 819951470 /nfs/dbraw/zinc/95/14/70/819951470.db2.gz ULBSIIGFZZTPTH-ZDUSSCGKSA-N 1 2 384.373 4.492 20 0 GIADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025257552 819951477 /nfs/dbraw/zinc/95/14/77/819951477.db2.gz ULBSIIGFZZTPTH-ZDUSSCGKSA-N 1 2 384.373 4.492 20 0 GIADLO O=C(c1cccc([C@@H]2CCCOC2)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410268750 823442412 /nfs/dbraw/zinc/44/24/12/823442412.db2.gz LYBCGRMPVJKGDF-LEWJYISDSA-N 1 2 393.531 4.133 20 0 GIADLO COc1ccccc1-c1nn(C[N@H+](C)[C@@H]2CCc3ccccc32)c(=S)n1C ZINC000025453116 819983354 /nfs/dbraw/zinc/98/33/54/819983354.db2.gz XGTHIFJYFFHYKK-GOSISDBHSA-N 1 2 380.517 4.203 20 0 GIADLO COc1ccccc1-c1nn(C[N@@H+](C)[C@@H]2CCc3ccccc32)c(=S)n1C ZINC000025453116 819983361 /nfs/dbraw/zinc/98/33/61/819983361.db2.gz XGTHIFJYFFHYKK-GOSISDBHSA-N 1 2 380.517 4.203 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000123001072 823446440 /nfs/dbraw/zinc/44/64/40/823446440.db2.gz SLNRBSCADPCFHD-ABAIWWIYSA-N 1 2 382.689 4.022 20 0 GIADLO COC(=O)c1ccc(C[N@H+](C)Cn2c3ccccc3n(C(F)F)c2=S)cc1 ZINC000025477450 819988667 /nfs/dbraw/zinc/98/86/67/819988667.db2.gz HWDQEAHDHZMCRV-UHFFFAOYSA-N 1 2 391.443 4.443 20 0 GIADLO COC(=O)c1ccc(C[N@@H+](C)Cn2c3ccccc3n(C(F)F)c2=S)cc1 ZINC000025477450 819988670 /nfs/dbraw/zinc/98/86/70/819988670.db2.gz HWDQEAHDHZMCRV-UHFFFAOYSA-N 1 2 391.443 4.443 20 0 GIADLO COc1ccc(OC)c(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000025498749 819992010 /nfs/dbraw/zinc/99/20/10/819992010.db2.gz HYZNOJXGGMEBHT-JOCHJYFZSA-N 1 2 394.446 4.313 20 0 GIADLO C[C@@H]1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C[C@@H]1n1cc[nH+]c1 ZINC000122998598 823446144 /nfs/dbraw/zinc/44/61/44/823446144.db2.gz ZZMCUGJPPDACTK-QAPCUYQASA-N 1 2 398.894 4.234 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1C ZINC000025937355 820042574 /nfs/dbraw/zinc/04/25/74/820042574.db2.gz UMGAMTKSFYPBEO-UHFFFAOYSA-N 1 2 382.504 4.067 20 0 GIADLO O=C([C@H]1SCCc2sccc21)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410286439 823449462 /nfs/dbraw/zinc/44/94/62/823449462.db2.gz GRCHUDKQZSUDIQ-KSSFIOAISA-N 1 2 387.574 4.018 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000026216282 820070001 /nfs/dbraw/zinc/07/00/01/820070001.db2.gz GHPXOZKOOFSMRG-UHFFFAOYSA-N 1 2 389.430 4.303 20 0 GIADLO CCSc1cc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)ccn1 ZINC000189589310 823453499 /nfs/dbraw/zinc/45/34/99/823453499.db2.gz XQBFIOZYVOVTAL-UHFFFAOYSA-N 1 2 394.331 4.371 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3scnc3C(C)(C)C)n2)C1 ZINC000177392950 823452255 /nfs/dbraw/zinc/45/22/55/823452255.db2.gz QDNHODWFHQPYQP-GFCCVEGCSA-N 1 2 378.567 4.381 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3scnc3C(C)(C)C)n2)C1 ZINC000177392950 823452260 /nfs/dbraw/zinc/45/22/60/823452260.db2.gz QDNHODWFHQPYQP-GFCCVEGCSA-N 1 2 378.567 4.381 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SC)cc1OC(F)F ZINC000026452455 820098938 /nfs/dbraw/zinc/09/89/38/820098938.db2.gz VXUOEWDUBIMCRU-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)cc1OC(F)F ZINC000026452455 820098949 /nfs/dbraw/zinc/09/89/49/820098949.db2.gz VXUOEWDUBIMCRU-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C(C)C)c2)cc1OC(F)F ZINC000026453451 820099238 /nfs/dbraw/zinc/09/92/38/820099238.db2.gz AZGVTKYPCFSGCW-UHFFFAOYSA-N 1 2 392.446 4.491 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C(C)C)c2)cc1OC(F)F ZINC000026453451 820099243 /nfs/dbraw/zinc/09/92/43/820099243.db2.gz AZGVTKYPCFSGCW-UHFFFAOYSA-N 1 2 392.446 4.491 20 0 GIADLO O=C(N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1(c2ccc(F)cc2F)CCC1 ZINC000410293873 823452722 /nfs/dbraw/zinc/45/27/22/823452722.db2.gz XRHUNGXTSBZWAO-MRXNPFEDSA-N 1 2 399.485 4.326 20 0 GIADLO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000026470781 820101436 /nfs/dbraw/zinc/10/14/36/820101436.db2.gz GXAKYCSZLYLYQR-MOPGFXCFSA-N 1 2 391.515 4.129 20 0 GIADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000026475611 820101616 /nfs/dbraw/zinc/10/16/16/820101616.db2.gz WLBAZUNLFXYXPG-CQSZACIVSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000026475611 820101622 /nfs/dbraw/zinc/10/16/22/820101622.db2.gz WLBAZUNLFXYXPG-CQSZACIVSA-N 1 2 376.884 4.125 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)C2CC2)cc1 ZINC000026476211 820102482 /nfs/dbraw/zinc/10/24/82/820102482.db2.gz KPXNBXSLGQSSKW-DQEYMECFSA-N 1 2 385.511 4.337 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@@H+](CC(C)C)C3CC3)c2=S)c1 ZINC000026625954 820124817 /nfs/dbraw/zinc/12/48/17/820124817.db2.gz KQBZCAZUARLWQN-UHFFFAOYSA-N 1 2 399.564 4.317 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@H+](CC(C)C)C3CC3)c2=S)c1 ZINC000026625954 820124823 /nfs/dbraw/zinc/12/48/23/820124823.db2.gz KQBZCAZUARLWQN-UHFFFAOYSA-N 1 2 399.564 4.317 20 0 GIADLO O=C(CCSc1ccc(F)cc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410310397 823459410 /nfs/dbraw/zinc/45/94/10/823459410.db2.gz KKILTTTXTNPWEA-UHFFFAOYSA-N 1 2 387.524 4.400 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@H](C)c3cccs3)CC2)c(C)c1 ZINC000026641237 820127136 /nfs/dbraw/zinc/12/71/36/820127136.db2.gz HEBXCTRUJJWGLW-QGZVFWFLSA-N 1 2 384.545 4.137 20 0 GIADLO C[C@]([NH2+]Cc1ccccc1Oc1cccnc1)(C(N)=O)c1cccc(Cl)c1 ZINC000177414201 823456527 /nfs/dbraw/zinc/45/65/27/823456527.db2.gz NZIYKVCSASPHOG-OAQYLSRUSA-N 1 2 381.863 4.018 20 0 GIADLO O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410307968 823458490 /nfs/dbraw/zinc/45/84/90/823458490.db2.gz MSWBLOUZEDSYPQ-KIVTUJJHSA-N 1 2 389.543 4.220 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ncc(C(C)(C)C)o1 ZINC000177430215 823460612 /nfs/dbraw/zinc/46/06/12/823460612.db2.gz HBAOUISRSZTAPH-LSDHHAIUSA-N 1 2 385.508 4.041 20 0 GIADLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc2ccccc2nc1Cl ZINC000027289242 820221761 /nfs/dbraw/zinc/22/17/61/820221761.db2.gz AOBSARZGTQGZRY-UHFFFAOYSA-N 1 2 379.891 4.412 20 0 GIADLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc2ccccc2nc1Cl ZINC000027289242 820221769 /nfs/dbraw/zinc/22/17/69/820221769.db2.gz AOBSARZGTQGZRY-UHFFFAOYSA-N 1 2 379.891 4.412 20 0 GIADLO O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000027373093 820233130 /nfs/dbraw/zinc/23/31/30/820233130.db2.gz MTHIRIAIHZTAFC-JOCHJYFZSA-N 1 2 391.540 4.246 20 0 GIADLO CCOc1cccc([C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000058880212 823465432 /nfs/dbraw/zinc/46/54/32/823465432.db2.gz LOHPNHYCDIOHAN-LAUBAEHRSA-N 1 2 384.545 4.053 20 0 GIADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410326540 823464117 /nfs/dbraw/zinc/46/41/17/823464117.db2.gz OGROGNNMFBNDIP-UNMCSNQZSA-N 1 2 379.548 4.440 20 0 GIADLO CCC(CC)C(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000027608790 820267033 /nfs/dbraw/zinc/26/70/33/820267033.db2.gz LBPRJBXBSICXBT-UHFFFAOYSA-N 1 2 390.531 4.082 20 0 GIADLO COc1ccc2c(c1)C[N@@H+](CCCS(=O)(=O)C(C)C)[C@@H](c1ccccc1)C2 ZINC000177461086 823467700 /nfs/dbraw/zinc/46/77/00/823467700.db2.gz OMPNIDINHKVWKL-JOCHJYFZSA-N 1 2 387.545 4.008 20 0 GIADLO COc1ccc2c(c1)C[N@H+](CCCS(=O)(=O)C(C)C)[C@@H](c1ccccc1)C2 ZINC000177461086 823467702 /nfs/dbraw/zinc/46/77/02/823467702.db2.gz OMPNIDINHKVWKL-JOCHJYFZSA-N 1 2 387.545 4.008 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(Cl)c1 ZINC000027952145 820300035 /nfs/dbraw/zinc/30/00/35/820300035.db2.gz JPHJULSCTOZHFW-DLBZAZTESA-N 1 2 399.922 4.326 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(Cl)c1 ZINC000027952145 820300043 /nfs/dbraw/zinc/30/00/43/820300043.db2.gz JPHJULSCTOZHFW-DLBZAZTESA-N 1 2 399.922 4.326 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3c[nH]nc3-c3ccccc3)n2)C1 ZINC000028678035 820349181 /nfs/dbraw/zinc/34/91/81/820349181.db2.gz VOIIUQUJKIUVQJ-CQSZACIVSA-N 1 2 381.505 4.017 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c[nH]nc3-c3ccccc3)n2)C1 ZINC000028678035 820349189 /nfs/dbraw/zinc/34/91/89/820349189.db2.gz VOIIUQUJKIUVQJ-CQSZACIVSA-N 1 2 381.505 4.017 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)C1 ZINC000028681852 820349963 /nfs/dbraw/zinc/34/99/63/820349963.db2.gz RIPIEDQMENRXEK-GFCCVEGCSA-N 1 2 381.448 4.229 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)C1 ZINC000028681852 820349967 /nfs/dbraw/zinc/34/99/67/820349967.db2.gz RIPIEDQMENRXEK-GFCCVEGCSA-N 1 2 381.448 4.229 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3c(F)cccc3Cl)n2)C1 ZINC000028683125 820350443 /nfs/dbraw/zinc/35/04/43/820350443.db2.gz CRFSXDMHRRSSTJ-LBPRGKRZSA-N 1 2 381.904 4.349 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3c(F)cccc3Cl)n2)C1 ZINC000028683125 820350452 /nfs/dbraw/zinc/35/04/52/820350452.db2.gz CRFSXDMHRRSSTJ-LBPRGKRZSA-N 1 2 381.904 4.349 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)Oc3ccc(F)cc3)n2)C1 ZINC000028683526 820350811 /nfs/dbraw/zinc/35/08/11/820350811.db2.gz PMIXFERDFSGLNZ-AWEZNQCLSA-N 1 2 391.512 4.310 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)Oc3ccc(F)cc3)n2)C1 ZINC000028683526 820350820 /nfs/dbraw/zinc/35/08/20/820350820.db2.gz PMIXFERDFSGLNZ-AWEZNQCLSA-N 1 2 391.512 4.310 20 0 GIADLO O=C(NCC1(CCO)CCCCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000573264423 823472882 /nfs/dbraw/zinc/47/28/82/823472882.db2.gz OSVRZJKVBJTRPP-UHFFFAOYSA-N 1 2 396.535 4.341 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc(-n4cccc4)cc3)n2)C1 ZINC000028931435 820375242 /nfs/dbraw/zinc/37/52/42/820375242.db2.gz KVEBXSBSLYTGSU-QGZVFWFLSA-N 1 2 394.544 4.347 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc(-n4cccc4)cc3)n2)C1 ZINC000028931435 820375253 /nfs/dbraw/zinc/37/52/53/820375253.db2.gz KVEBXSBSLYTGSU-QGZVFWFLSA-N 1 2 394.544 4.347 20 0 GIADLO Cc1ccc(C(=O)CCC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1C ZINC000029095726 820391882 /nfs/dbraw/zinc/39/18/82/820391882.db2.gz VTSWQCJNADUVMT-UHFFFAOYSA-N 1 2 396.506 4.140 20 0 GIADLO Cc1ccc(C(=O)CCC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1C ZINC000029095726 820391896 /nfs/dbraw/zinc/39/18/96/820391896.db2.gz VTSWQCJNADUVMT-UHFFFAOYSA-N 1 2 396.506 4.140 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1C ZINC000058957342 823476047 /nfs/dbraw/zinc/47/60/47/823476047.db2.gz FMROXGWXNWIJAR-OAHLLOKOSA-N 1 2 376.884 4.095 20 0 GIADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccc(Br)s1 ZINC000029157948 820402042 /nfs/dbraw/zinc/40/20/42/820402042.db2.gz UYGZAPSQCLSSDR-VIFPVBQESA-N 1 2 389.265 4.248 20 0 GIADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccc(Br)s1 ZINC000029157948 820402046 /nfs/dbraw/zinc/40/20/46/820402046.db2.gz UYGZAPSQCLSSDR-VIFPVBQESA-N 1 2 389.265 4.248 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(Cl)ccc2OC(C)C)c1C ZINC000058958999 823476385 /nfs/dbraw/zinc/47/63/85/823476385.db2.gz JYTGZUJLURGEJD-UHFFFAOYSA-N 1 2 376.884 4.420 20 0 GIADLO C/C(=C\C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1C(F)(F)F ZINC000177517057 823480739 /nfs/dbraw/zinc/48/07/39/823480739.db2.gz RGYGGWSIWHXECG-KKPOOLQDSA-N 1 2 377.410 4.415 20 0 GIADLO C[N@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCc2ccccc21 ZINC000029485423 820462654 /nfs/dbraw/zinc/46/26/54/820462654.db2.gz GRXACASGKVLKJP-KRWDZBQOSA-N 1 2 384.328 4.386 20 0 GIADLO C[N@@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCc2ccccc21 ZINC000029485423 820462663 /nfs/dbraw/zinc/46/26/63/820462663.db2.gz GRXACASGKVLKJP-KRWDZBQOSA-N 1 2 384.328 4.386 20 0 GIADLO Cc1ccc2c(CCC(=O)N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)c[nH]c2c1 ZINC000573334104 823481178 /nfs/dbraw/zinc/48/11/78/823481178.db2.gz WSOYOGCVBQXLDT-WGSAOQKQSA-N 1 2 376.504 4.343 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@@H+](C)[C@H](C)C(C)C)c2=S)c1 ZINC000029541976 820473281 /nfs/dbraw/zinc/47/32/81/820473281.db2.gz ZCEUOFPMOXWAFZ-CQSZACIVSA-N 1 2 387.553 4.173 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@H+](C)[C@H](C)C(C)C)c2=S)c1 ZINC000029541976 820473287 /nfs/dbraw/zinc/47/32/87/820473287.db2.gz ZCEUOFPMOXWAFZ-CQSZACIVSA-N 1 2 387.553 4.173 20 0 GIADLO O=C(COc1ccc(Cl)c2ccccc12)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029555915 820476009 /nfs/dbraw/zinc/47/60/09/820476009.db2.gz POXDVCHFZDEJPT-UHFFFAOYSA-N 1 2 395.890 4.184 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3csc(-c4ccco4)n3)n2)C1 ZINC000029601880 820482543 /nfs/dbraw/zinc/48/25/43/820482543.db2.gz OMBWBJVQOFARJA-LBPRGKRZSA-N 1 2 388.518 4.344 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3csc(-c4ccco4)n3)n2)C1 ZINC000029601880 820482549 /nfs/dbraw/zinc/48/25/49/820482549.db2.gz OMBWBJVQOFARJA-LBPRGKRZSA-N 1 2 388.518 4.344 20 0 GIADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C2CC2)o1 ZINC000123231213 823482322 /nfs/dbraw/zinc/48/23/22/823482322.db2.gz HWUBGLNJYNPDQN-JKIFEVAISA-N 1 2 384.442 4.168 20 0 GIADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C2CC2)o1 ZINC000123231213 823482325 /nfs/dbraw/zinc/48/23/25/823482325.db2.gz HWUBGLNJYNPDQN-JKIFEVAISA-N 1 2 384.442 4.168 20 0 GIADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000029685500 820497759 /nfs/dbraw/zinc/49/77/59/820497759.db2.gz XTDFHKADKFEWIQ-INIZCTEOSA-N 1 2 382.895 4.269 20 0 GIADLO COc1ccc(C)cc1C[NH+]1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000029706084 820501474 /nfs/dbraw/zinc/50/14/74/820501474.db2.gz KTQCNPDOSKNNKI-UHFFFAOYSA-N 1 2 395.478 4.116 20 0 GIADLO COc1ccc(C)cc1CN1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000029706084 820501482 /nfs/dbraw/zinc/50/14/82/820501482.db2.gz KTQCNPDOSKNNKI-UHFFFAOYSA-N 1 2 395.478 4.116 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cncc(Br)c2)c1 ZINC000029705443 820501524 /nfs/dbraw/zinc/50/15/24/820501524.db2.gz LHCLDOMKMVJXLF-QGZVFWFLSA-N 1 2 377.282 4.198 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cncc(Br)c2)c1 ZINC000029705443 820501532 /nfs/dbraw/zinc/50/15/32/820501532.db2.gz LHCLDOMKMVJXLF-QGZVFWFLSA-N 1 2 377.282 4.198 20 0 GIADLO CCCCn1c(SCc2cccc3c2OCCO3)nnc1[C@H](CC)[NH+](C)C ZINC000177553410 823489467 /nfs/dbraw/zinc/48/94/67/823489467.db2.gz GSZIIHORWOUVBH-INIZCTEOSA-N 1 2 390.553 4.154 20 0 GIADLO O=C(CSCc1cccc(Cl)c1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000029870674 820536043 /nfs/dbraw/zinc/53/60/43/820536043.db2.gz UHWWPUUGDQKBTA-UHFFFAOYSA-N 1 2 399.947 4.177 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc2c(s1)CCCCC2 ZINC000029870763 820536604 /nfs/dbraw/zinc/53/66/04/820536604.db2.gz SCXXGPMTKJSEMX-UHFFFAOYSA-N 1 2 379.529 4.234 20 0 GIADLO O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029914084 820547278 /nfs/dbraw/zinc/54/72/78/820547278.db2.gz MZWIXKUBIZRLNF-UHFFFAOYSA-N 1 2 378.432 4.316 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000029916578 820547373 /nfs/dbraw/zinc/54/73/73/820547373.db2.gz QQPQXOJRVVEVNQ-UHFFFAOYSA-N 1 2 379.423 4.464 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)c2cc1C ZINC000030004426 820566632 /nfs/dbraw/zinc/56/66/32/820566632.db2.gz HKHXVHSYPHXQNE-MRXNPFEDSA-N 1 2 399.512 4.006 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@H+](C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)c2cc1C ZINC000030004426 820566639 /nfs/dbraw/zinc/56/66/39/820566639.db2.gz HKHXVHSYPHXQNE-MRXNPFEDSA-N 1 2 399.512 4.006 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030030284 820571798 /nfs/dbraw/zinc/57/17/98/820571798.db2.gz WZRLJRGLQLXUKH-LJQANCHMSA-N 1 2 395.503 4.387 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030030284 820571802 /nfs/dbraw/zinc/57/18/02/820571802.db2.gz WZRLJRGLQLXUKH-LJQANCHMSA-N 1 2 395.503 4.387 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)c2cccnc12 ZINC000030216497 820587766 /nfs/dbraw/zinc/58/77/66/820587766.db2.gz ROEJBNHLELLKMU-UHFFFAOYSA-N 1 2 376.847 4.063 20 0 GIADLO Cc1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cnn1-c1ccc(F)cc1 ZINC000030582965 820644875 /nfs/dbraw/zinc/64/48/75/820644875.db2.gz PFFKZYZELADTOA-UHFFFAOYSA-N 1 2 399.495 4.015 20 0 GIADLO COc1cc(OC)cc([C@@H]([NH2+]Cc2cc(C)c(C)cc2C)c2nccn2C)c1 ZINC000030649481 820657724 /nfs/dbraw/zinc/65/77/24/820657724.db2.gz OYHWDANBWLHEPR-JOCHJYFZSA-N 1 2 379.504 4.242 20 0 GIADLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000030965527 820712280 /nfs/dbraw/zinc/71/22/80/820712280.db2.gz NKIGSGWHRZAXDG-IBGZPJMESA-N 1 2 379.529 4.482 20 0 GIADLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000030965527 820712285 /nfs/dbraw/zinc/71/22/85/820712285.db2.gz NKIGSGWHRZAXDG-IBGZPJMESA-N 1 2 379.529 4.482 20 0 GIADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000030974108 820713537 /nfs/dbraw/zinc/71/35/37/820713537.db2.gz LPGWFYZSZDLYLI-UONOGXRCSA-N 1 2 379.298 4.048 20 0 GIADLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030974108 820713542 /nfs/dbraw/zinc/71/35/42/820713542.db2.gz LPGWFYZSZDLYLI-UONOGXRCSA-N 1 2 379.298 4.048 20 0 GIADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000060060531 823506105 /nfs/dbraw/zinc/50/61/05/823506105.db2.gz BTBXRRRWIUABGJ-OAHLLOKOSA-N 1 2 385.851 4.022 20 0 GIADLO O=C(NCc1ccc(F)cc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031092417 820738310 /nfs/dbraw/zinc/73/83/10/820738310.db2.gz IKCMCQJTDPQYAQ-GOSISDBHSA-N 1 2 393.865 4.255 20 0 GIADLO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)cc1OC ZINC000123388482 823504264 /nfs/dbraw/zinc/50/42/64/823504264.db2.gz DZXGLDLCDQSMAE-LSDHHAIUSA-N 1 2 382.464 4.341 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccccc1C(=O)c1ccccc1 ZINC000060013592 823504706 /nfs/dbraw/zinc/50/47/06/823504706.db2.gz AIXIUUCIRUXQHZ-UHFFFAOYSA-N 1 2 381.435 4.033 20 0 GIADLO COc1cccc(-c2ccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)cc2)c1 ZINC000177633468 823505146 /nfs/dbraw/zinc/50/51/46/823505146.db2.gz UDYDXUYWRJORRA-UHFFFAOYSA-N 1 2 386.455 4.009 20 0 GIADLO Cc1occc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000031165033 820757588 /nfs/dbraw/zinc/75/75/88/820757588.db2.gz SJXIMMPKCZOSPK-UHFFFAOYSA-N 1 2 384.476 4.414 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000031173592 820759048 /nfs/dbraw/zinc/75/90/48/820759048.db2.gz XHCXWUKZHSOWEG-MRXNPFEDSA-N 1 2 388.895 4.057 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000031173592 820759051 /nfs/dbraw/zinc/75/90/51/820759051.db2.gz XHCXWUKZHSOWEG-MRXNPFEDSA-N 1 2 388.895 4.057 20 0 GIADLO Cc1ccc(-c2nc(C)c(C(=O)N3CC[NH+](Cc4cccc(C)c4)CC3)s2)o1 ZINC000031215352 820772130 /nfs/dbraw/zinc/77/21/30/820772130.db2.gz FJPSQINBIVIVEB-UHFFFAOYSA-N 1 2 395.528 4.286 20 0 GIADLO C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000460779086 823510052 /nfs/dbraw/zinc/51/00/52/823510052.db2.gz SRLRRAJQQPLSBH-CYBMUJFWSA-N 1 2 386.249 4.041 20 0 GIADLO Cc1ccc(C(=O)CCC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1C ZINC000060240524 823512795 /nfs/dbraw/zinc/51/27/95/823512795.db2.gz UQIJYTOLUBEBTP-UHFFFAOYSA-N 1 2 396.556 4.454 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000060245079 823513408 /nfs/dbraw/zinc/51/34/08/823513408.db2.gz ZXWDJSWPLQLSJD-GOSISDBHSA-N 1 2 390.886 4.407 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000060245079 823513410 /nfs/dbraw/zinc/51/34/10/823513410.db2.gz ZXWDJSWPLQLSJD-GOSISDBHSA-N 1 2 390.886 4.407 20 0 GIADLO O=C(Nc1ccccc1Br)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000177727930 823517724 /nfs/dbraw/zinc/51/77/24/823517724.db2.gz CSMBQVATCQQVJZ-XFXZXTDPSA-N 1 2 392.124 4.419 20 0 GIADLO CCCc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)cc1 ZINC000032197342 820902178 /nfs/dbraw/zinc/90/21/78/820902178.db2.gz UGKMRDUMWMYMBQ-UHFFFAOYSA-N 1 2 395.484 4.087 20 0 GIADLO CC(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000032332469 820918401 /nfs/dbraw/zinc/91/84/01/820918401.db2.gz OWWWWTPPGZUWCH-UHFFFAOYSA-N 1 2 395.484 4.258 20 0 GIADLO COc1ccccc1-c1csc(C2CC[NH+](Cn3cc[nH]c3=S)CC2)n1 ZINC000189934583 823515480 /nfs/dbraw/zinc/51/54/80/823515480.db2.gz HVPBLLYSIUJCLH-UHFFFAOYSA-N 1 2 386.546 4.141 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000177731474 823518172 /nfs/dbraw/zinc/51/81/72/823518172.db2.gz IJMBTFWUUUCKBY-VDBVYFBLSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000177731474 823518173 /nfs/dbraw/zinc/51/81/73/823518173.db2.gz IJMBTFWUUUCKBY-VDBVYFBLSA-N 1 2 399.343 4.362 20 0 GIADLO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@H+](C)Cc3cnn(C)c3)ccc21 ZINC000032539922 820966760 /nfs/dbraw/zinc/96/67/60/820966760.db2.gz HXLFYTFCUJKTFW-MRXNPFEDSA-N 1 2 389.503 4.007 20 0 GIADLO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@@H+](C)Cc3cnn(C)c3)ccc21 ZINC000032539922 820966764 /nfs/dbraw/zinc/96/67/64/820966764.db2.gz HXLFYTFCUJKTFW-MRXNPFEDSA-N 1 2 389.503 4.007 20 0 GIADLO Cc1ccc(CN(Cc2ccco2)C(=O)NCc2ccn3cc[nH+]c3c2)s1 ZINC000177769005 823523454 /nfs/dbraw/zinc/52/34/54/823523454.db2.gz XHCQUZHOUSAGFY-UHFFFAOYSA-N 1 2 380.473 4.209 20 0 GIADLO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000036685039 821075676 /nfs/dbraw/zinc/07/56/76/821075676.db2.gz KMQGNERJAQBDSH-QGZVFWFLSA-N 1 2 398.890 4.025 20 0 GIADLO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000036685039 821075687 /nfs/dbraw/zinc/07/56/87/821075687.db2.gz KMQGNERJAQBDSH-QGZVFWFLSA-N 1 2 398.890 4.025 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000177788094 823526436 /nfs/dbraw/zinc/52/64/36/823526436.db2.gz FWPVVPRFZPHALW-LJQANCHMSA-N 1 2 394.525 4.315 20 0 GIADLO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)cc1Br)c1ccncc1 ZINC000190021179 823526775 /nfs/dbraw/zinc/52/67/75/823526775.db2.gz DIEYUNYWJQUGJU-KRWDZBQOSA-N 1 2 397.700 4.066 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)C[C@@H]1n1cc[nH+]c1 ZINC000123676171 823530830 /nfs/dbraw/zinc/53/08/30/823530830.db2.gz CLKZOZBVKZPKRB-UGSOOPFHSA-N 1 2 390.409 4.117 20 0 GIADLO CCC(CC)[C@@H](C(=O)Nc1cccc(-c2nc(C)cs2)c1)[NH+]1CCOCC1 ZINC000460862771 823531430 /nfs/dbraw/zinc/53/14/30/823531430.db2.gz PHIWEUQLSZMMKQ-IBGZPJMESA-N 1 2 387.549 4.194 20 0 GIADLO CC(C)c1c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1ccc(F)cc1 ZINC000123693957 823532333 /nfs/dbraw/zinc/53/23/33/823532333.db2.gz BAWIDUBOAYMEEF-JXFKEZNVSA-N 1 2 395.482 4.055 20 0 GIADLO CCOC1CC[NH+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1 ZINC000060493741 823534469 /nfs/dbraw/zinc/53/44/69/823534469.db2.gz GULHKGJWDOHSQP-UHFFFAOYSA-N 1 2 382.460 4.034 20 0 GIADLO CC[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000123742725 823536618 /nfs/dbraw/zinc/53/66/18/823536618.db2.gz KFLAPOOBGKQTHC-FQEVSTJZSA-N 1 2 384.430 4.160 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000041749683 821222934 /nfs/dbraw/zinc/22/29/34/821222934.db2.gz FXQGLLPODSTINR-UHFFFAOYSA-N 1 2 390.306 4.194 20 0 GIADLO CCC(=O)N1CCC[N@@H+]([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000123793239 823541254 /nfs/dbraw/zinc/54/12/54/823541254.db2.gz OCILBLPJCYLOPT-OAHLLOKOSA-N 1 2 375.900 4.309 20 0 GIADLO CCC(=O)N1CCC[N@H+]([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000123793239 823541258 /nfs/dbraw/zinc/54/12/58/823541258.db2.gz OCILBLPJCYLOPT-OAHLLOKOSA-N 1 2 375.900 4.309 20 0 GIADLO Cc1ccc(-c2nc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cs2)c(C)c1 ZINC000123776761 823539887 /nfs/dbraw/zinc/53/98/87/823539887.db2.gz RLSZKPSUSRPNOY-KXBFYZLASA-N 1 2 380.517 4.347 20 0 GIADLO Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000190122578 823540296 /nfs/dbraw/zinc/54/02/96/823540296.db2.gz OHXCTQUKQRXQJR-UHFFFAOYSA-N 1 2 397.360 4.036 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c1C ZINC000060546023 823540619 /nfs/dbraw/zinc/54/06/19/823540619.db2.gz FTWDQDFJFJOYHJ-CQSZACIVSA-N 1 2 393.434 4.211 20 0 GIADLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+](C)Cc1ccc(Cl)s1 ZINC000042385217 821306093 /nfs/dbraw/zinc/30/60/93/821306093.db2.gz XJTTUHYEIDWTAI-LBPRGKRZSA-N 1 2 380.897 4.022 20 0 GIADLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000042385217 821306098 /nfs/dbraw/zinc/30/60/98/821306098.db2.gz XJTTUHYEIDWTAI-LBPRGKRZSA-N 1 2 380.897 4.022 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)c3ccc(Cl)s3)cn2c1 ZINC000042397142 821306819 /nfs/dbraw/zinc/30/68/19/821306819.db2.gz YOIOVBWNGSUENG-GFCCVEGCSA-N 1 2 379.938 4.468 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)c(Cl)c1 ZINC000180635841 821377382 /nfs/dbraw/zinc/37/73/82/821377382.db2.gz NRPFXATYYBUVHG-CVEARBPZSA-N 1 2 389.931 4.027 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)c(Cl)c1 ZINC000180635841 821377387 /nfs/dbraw/zinc/37/73/87/821377387.db2.gz NRPFXATYYBUVHG-CVEARBPZSA-N 1 2 389.931 4.027 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3ccccc3C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000043231025 821377698 /nfs/dbraw/zinc/37/76/98/821377698.db2.gz YONVKYNXJKTPMY-UHFFFAOYSA-N 1 2 381.524 4.386 20 0 GIADLO COc1ccc(O[C@H](C)C[NH2+][C@@H](c2nccn2C)c2ccccc2Cl)cc1 ZINC000180649030 821382089 /nfs/dbraw/zinc/38/20/89/821382089.db2.gz DVFCNAXDHAVRFY-FOIQADDNSA-N 1 2 385.895 4.229 20 0 GIADLO O=C(Nc1c(F)cccc1F)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000043265649 821382971 /nfs/dbraw/zinc/38/29/71/821382971.db2.gz WXFXQAXOUDUEAT-UHFFFAOYSA-N 1 2 399.363 4.333 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CCCS(=O)(=O)c2ccc(C)cc2)s1 ZINC000180677129 821391729 /nfs/dbraw/zinc/39/17/29/821391729.db2.gz FCEGAAIMFGLUGI-INIZCTEOSA-N 1 2 380.579 4.179 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CCCS(=O)(=O)c2ccc(C)cc2)s1 ZINC000180677129 821391740 /nfs/dbraw/zinc/39/17/40/821391740.db2.gz FCEGAAIMFGLUGI-INIZCTEOSA-N 1 2 380.579 4.179 20 0 GIADLO Cc1cc(N2CCCC2)ccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000043496576 821418411 /nfs/dbraw/zinc/41/84/11/821418411.db2.gz GRGMGVPXJWOTSU-UHFFFAOYSA-N 1 2 384.549 4.006 20 0 GIADLO Cc1ccsc1CN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000043546601 821424037 /nfs/dbraw/zinc/42/40/37/821424037.db2.gz YAQLZKBPHJIRMY-CYBMUJFWSA-N 1 2 378.567 4.409 20 0 GIADLO Cc1ccsc1CN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000043546601 821424042 /nfs/dbraw/zinc/42/40/42/821424042.db2.gz YAQLZKBPHJIRMY-CYBMUJFWSA-N 1 2 378.567 4.409 20 0 GIADLO CCC(=O)N1CC[C@@H]([NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)C1 ZINC000180778465 821451693 /nfs/dbraw/zinc/45/16/93/821451693.db2.gz CFFBRUCYSNPEET-JLTOFOAXSA-N 1 2 378.850 4.308 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)n1 ZINC000180803246 821466738 /nfs/dbraw/zinc/46/67/38/821466738.db2.gz LRHFAZROBAOHLM-MRXNPFEDSA-N 1 2 375.398 4.129 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)C2)n1 ZINC000180803246 821466742 /nfs/dbraw/zinc/46/67/42/821466742.db2.gz LRHFAZROBAOHLM-MRXNPFEDSA-N 1 2 375.398 4.129 20 0 GIADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000180805253 821467884 /nfs/dbraw/zinc/46/78/84/821467884.db2.gz UPDZXJHWPQNSNV-OAHLLOKOSA-N 1 2 391.437 4.284 20 0 GIADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000180805253 821467892 /nfs/dbraw/zinc/46/78/92/821467892.db2.gz UPDZXJHWPQNSNV-OAHLLOKOSA-N 1 2 391.437 4.284 20 0 GIADLO CC(C)C(=O)NCC[N@H+](C)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000180838746 821488822 /nfs/dbraw/zinc/48/88/22/821488822.db2.gz OGVLZVLMUPBKQZ-UHFFFAOYSA-N 1 2 386.348 4.321 20 0 GIADLO CC(C)C(=O)NCC[N@@H+](C)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000180838746 821488827 /nfs/dbraw/zinc/48/88/27/821488827.db2.gz OGVLZVLMUPBKQZ-UHFFFAOYSA-N 1 2 386.348 4.321 20 0 GIADLO CCCCn1c(SCc2cn3cccc(C)c3n2)nnc1[C@H](CC)[NH+](C)C ZINC000044172432 821539505 /nfs/dbraw/zinc/53/95/05/821539505.db2.gz ZJGGTRYEWFAVSE-KRWDZBQOSA-N 1 2 386.569 4.339 20 0 GIADLO Cc1c([C@H](C)[NH2+]Cc2ccccc2OC2CCC2)nnn1-c1ccc(F)cc1 ZINC000180973255 821566242 /nfs/dbraw/zinc/56/62/42/821566242.db2.gz NAFBUBCQZIPLKR-HNNXBMFYSA-N 1 2 380.467 4.497 20 0 GIADLO O=C(Nc1ccccc1SC1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044328936 821569979 /nfs/dbraw/zinc/56/99/79/821569979.db2.gz IGFSHXQRWMBCLP-UHFFFAOYSA-N 1 2 382.533 4.470 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439024 821587448 /nfs/dbraw/zinc/58/74/48/821587448.db2.gz LIQDXDLJTHZAGN-INIZCTEOSA-N 1 2 398.457 4.226 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439024 821587455 /nfs/dbraw/zinc/58/74/55/821587455.db2.gz LIQDXDLJTHZAGN-INIZCTEOSA-N 1 2 398.457 4.226 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CC(c2ccccc2)=NO1 ZINC000044568988 821611112 /nfs/dbraw/zinc/61/11/12/821611112.db2.gz YSPIKZQPEUZHDH-OAQYLSRUSA-N 1 2 386.455 4.018 20 0 GIADLO C[C@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)C(=O)c1ccc(Cl)cc1 ZINC000181072082 821618530 /nfs/dbraw/zinc/61/85/30/821618530.db2.gz LFXAYSSPNWCIHV-OAHLLOKOSA-N 1 2 381.863 4.051 20 0 GIADLO C[C@@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)C(=O)c1ccc(Cl)cc1 ZINC000181072065 821618610 /nfs/dbraw/zinc/61/86/10/821618610.db2.gz LFXAYSSPNWCIHV-HNNXBMFYSA-N 1 2 381.863 4.051 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc(C)sc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181105042 821634423 /nfs/dbraw/zinc/63/44/23/821634423.db2.gz NSSSGPUILGXKGR-APWZRJJASA-N 1 2 395.931 4.047 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)Cc2nc(C)sc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181105042 821634430 /nfs/dbraw/zinc/63/44/30/821634430.db2.gz NSSSGPUILGXKGR-APWZRJJASA-N 1 2 395.931 4.047 20 0 GIADLO C[C@H]([NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccoc1 ZINC000181193541 821689179 /nfs/dbraw/zinc/68/91/79/821689179.db2.gz GRTITVJZCADHSC-RBZFPXEDSA-N 1 2 391.439 4.402 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1nc(-c2ccccc2)no1 ZINC000181266034 821724215 /nfs/dbraw/zinc/72/42/15/821724215.db2.gz LMZJGYKUZLFOCG-GJZGRUSLSA-N 1 2 378.432 4.105 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181269320 821725467 /nfs/dbraw/zinc/72/54/67/821725467.db2.gz RPSRVPGRMGDECT-CYBMUJFWSA-N 1 2 398.850 4.197 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)n2)cc1 ZINC000181271976 821726909 /nfs/dbraw/zinc/72/69/09/821726909.db2.gz IRDRTOZZWCEAQY-OAHLLOKOSA-N 1 2 392.459 4.106 20 0 GIADLO COc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)c1 ZINC000181276520 821729296 /nfs/dbraw/zinc/72/92/96/821729296.db2.gz BRBPOVWXXXXQRQ-GFCCVEGCSA-N 1 2 387.281 4.094 20 0 GIADLO Cc1ccsc1[C@@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181277929 821730972 /nfs/dbraw/zinc/73/09/72/821730972.db2.gz DQVVIFBOOHARRP-LLVKDONJSA-N 1 2 377.311 4.455 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1nc(-c2cccs2)no1 ZINC000181287445 821736441 /nfs/dbraw/zinc/73/64/41/821736441.db2.gz FHBBEJRQGRASMB-CHWSQXEVSA-N 1 2 384.461 4.167 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)c1cccc(N2CCOC2=O)c1 ZINC000181298354 821742643 /nfs/dbraw/zinc/74/26/43/821742643.db2.gz NASPMXXHLFLKLH-CABCVRRESA-N 1 2 378.432 4.105 20 0 GIADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181302359 821744621 /nfs/dbraw/zinc/74/46/21/821744621.db2.gz JKDDXIIZEWAWBF-ZDUSSCGKSA-N 1 2 393.438 4.327 20 0 GIADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181302359 821744626 /nfs/dbraw/zinc/74/46/26/821744626.db2.gz JKDDXIIZEWAWBF-ZDUSSCGKSA-N 1 2 393.438 4.327 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ncccc3C(F)(F)F)n2)C1 ZINC000181322471 821758041 /nfs/dbraw/zinc/75/80/41/821758041.db2.gz NZNXIOMOJZIYCJ-NSHDSACASA-N 1 2 384.427 4.041 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ncccc3C(F)(F)F)n2)C1 ZINC000181322471 821758046 /nfs/dbraw/zinc/75/80/46/821758046.db2.gz NZNXIOMOJZIYCJ-NSHDSACASA-N 1 2 384.427 4.041 20 0 GIADLO COc1cc(OC)c([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1Cl ZINC000181337176 821768438 /nfs/dbraw/zinc/76/84/38/821768438.db2.gz AOCZENFJJCRJBV-KGLIPLIRSA-N 1 2 386.883 4.350 20 0 GIADLO C[C@H](NC(=O)C[N@H+](Cc1ccccn1)C1CC1)c1ccc(Cl)cc1Cl ZINC000181350684 821779566 /nfs/dbraw/zinc/77/95/66/821779566.db2.gz HVZVUUVHMULXKV-ZDUSSCGKSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@H](NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)c1ccc(Cl)cc1Cl ZINC000181350684 821779569 /nfs/dbraw/zinc/77/95/69/821779569.db2.gz HVZVUUVHMULXKV-ZDUSSCGKSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000181420901 821817300 /nfs/dbraw/zinc/81/73/00/821817300.db2.gz GQRAHJJJUKBCMI-LLVKDONJSA-N 1 2 381.789 4.185 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1nc(-c2cccs2)no1 ZINC000181432155 821824073 /nfs/dbraw/zinc/82/40/73/821824073.db2.gz ALLAMGRABTVRKX-ZIAGYGMSSA-N 1 2 382.489 4.337 20 0 GIADLO CCOC(=O)Nc1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)cc1C#N ZINC000181507116 821858347 /nfs/dbraw/zinc/85/83/47/821858347.db2.gz ZBYLFEBJPCENSK-UHFFFAOYSA-N 1 2 375.432 4.233 20 0 GIADLO Fc1ccc2c(c1)[nH]cc2C1CC[NH+](Cc2ncn(-c3ccccc3)n2)CC1 ZINC000181567419 821883167 /nfs/dbraw/zinc/88/31/67/821883167.db2.gz QHPOJGGISUJWIZ-UHFFFAOYSA-N 1 2 375.451 4.267 20 0 GIADLO CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)c3nnnn3-c3ccccc3)oc21 ZINC000181757157 821978878 /nfs/dbraw/zinc/97/88/78/821978878.db2.gz UDHPLSBFZRQKJD-HUUCEWRRSA-N 1 2 377.448 4.219 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(Cl)cc(Cl)n2)C[C@H](C)O1 ZINC000181890402 822027855 /nfs/dbraw/zinc/02/78/55/822027855.db2.gz ITXQLGXKUXKYDY-BETUJISGSA-N 1 2 394.302 4.250 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(Cl)cc(Cl)n2)C[C@H](C)O1 ZINC000181890402 822027864 /nfs/dbraw/zinc/02/78/64/822027864.db2.gz ITXQLGXKUXKYDY-BETUJISGSA-N 1 2 394.302 4.250 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000181909991 822034457 /nfs/dbraw/zinc/03/44/57/822034457.db2.gz FNTDUKJEMJKQFS-CQSZACIVSA-N 1 2 391.397 4.029 20 0 GIADLO Cc1ccc(-c2ccc(C[NH2+][C@@H](CC(C)C)c3nc(-c4nc[nH]n4)no3)o2)cc1 ZINC000181947606 822042931 /nfs/dbraw/zinc/04/29/31/822042931.db2.gz FFVYMHNBZKLYSJ-KRWDZBQOSA-N 1 2 392.463 4.300 20 0 GIADLO COC(=O)c1ccc(Cl)c(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000181963723 822047312 /nfs/dbraw/zinc/04/73/12/822047312.db2.gz WSDVBWCUIGDGAV-SHZVTRLKSA-N 1 2 379.909 4.057 20 0 GIADLO COC(=O)c1ccc(Cl)c(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000181963723 822047318 /nfs/dbraw/zinc/04/73/18/822047318.db2.gz WSDVBWCUIGDGAV-SHZVTRLKSA-N 1 2 379.909 4.057 20 0 GIADLO COc1ccc2ccccc2c1-c1cc(CSCC[NH+]2CCOCC2)on1 ZINC000182270778 822181443 /nfs/dbraw/zinc/18/14/43/822181443.db2.gz STAORPUQCZXOLB-UHFFFAOYSA-N 1 2 384.501 4.069 20 0 GIADLO C[C@@H]1C[N@H+](CC(=O)Nc2c(F)cc(F)cc2Br)[C@H]2CCCC[C@H]12 ZINC000182480970 822259124 /nfs/dbraw/zinc/25/91/24/822259124.db2.gz BOLDXTZYFSQAQG-HCKVZZMMSA-N 1 2 387.268 4.176 20 0 GIADLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(F)cc(F)cc2Br)[C@H]2CCCC[C@H]12 ZINC000182480970 822259128 /nfs/dbraw/zinc/25/91/28/822259128.db2.gz BOLDXTZYFSQAQG-HCKVZZMMSA-N 1 2 387.268 4.176 20 0 GIADLO CC(=O)c1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1Cl ZINC000182536585 822289084 /nfs/dbraw/zinc/28/90/84/822289084.db2.gz UCXJNMZSINLIJX-UHFFFAOYSA-N 1 2 386.883 4.250 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3CC[C@H](c4ccccc4)[C@@H]3C)s2)cc1 ZINC000182545400 822294837 /nfs/dbraw/zinc/29/48/37/822294837.db2.gz BDGYLCFLUSVRKJ-LPHOPBHVSA-N 1 2 392.528 4.477 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3CC[C@H](c4ccccc4)[C@@H]3C)s2)cc1 ZINC000182545400 822294838 /nfs/dbraw/zinc/29/48/38/822294838.db2.gz BDGYLCFLUSVRKJ-LPHOPBHVSA-N 1 2 392.528 4.477 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182566732 822306046 /nfs/dbraw/zinc/30/60/46/822306046.db2.gz IVVFXYPDDDPDOQ-OAHLLOKOSA-N 1 2 388.427 4.433 20 0 GIADLO Cc1nc(CSc2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)cc2)cs1 ZINC000178072779 822309257 /nfs/dbraw/zinc/30/92/57/822309257.db2.gz DAESCQUYPPOWFP-UHFFFAOYSA-N 1 2 394.525 4.322 20 0 GIADLO CC[C@H]([NH2+]Cc1csc(N(CCOC)C(C)=O)n1)c1cccc(Cl)c1 ZINC000182592856 822315366 /nfs/dbraw/zinc/31/53/66/822315366.db2.gz HIBHAJRPHVHUDC-KRWDZBQOSA-N 1 2 381.929 4.037 20 0 GIADLO CC(=O)Nc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000182621104 822326109 /nfs/dbraw/zinc/32/61/09/822326109.db2.gz LBYISWIXYCGGGL-LJQANCHMSA-N 1 2 378.394 4.237 20 0 GIADLO CC(=O)Nc1cccc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000182621104 822326120 /nfs/dbraw/zinc/32/61/20/822326120.db2.gz LBYISWIXYCGGGL-LJQANCHMSA-N 1 2 378.394 4.237 20 0 GIADLO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000182626027 822328282 /nfs/dbraw/zinc/32/82/82/822328282.db2.gz ARXYHGOCUOBQOJ-HZPDHXFCSA-N 1 2 392.507 4.396 20 0 GIADLO Cn1ncnc1C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000178157799 822336700 /nfs/dbraw/zinc/33/67/00/822336700.db2.gz CUBOGWFGYQLMLJ-KRWDZBQOSA-N 1 2 379.266 4.335 20 0 GIADLO Cc1c(NC(=O)NCc2ccn3cc[nH+]c3c2)cccc1C(=O)Nc1ccccc1 ZINC000178194063 822348932 /nfs/dbraw/zinc/34/89/32/822348932.db2.gz VSFXCKVZERXGSH-UHFFFAOYSA-N 1 2 399.454 4.217 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000178214959 822354253 /nfs/dbraw/zinc/35/42/53/822354253.db2.gz KDYOKKLWYRYYKH-UHFFFAOYSA-N 1 2 393.834 4.497 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000178218938 822355000 /nfs/dbraw/zinc/35/50/00/822355000.db2.gz AXWXLHYJMKBJPZ-UHFFFAOYSA-N 1 2 391.475 4.175 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000178222610 822355452 /nfs/dbraw/zinc/35/54/52/822355452.db2.gz VFNMSHPYYSZREX-UHFFFAOYSA-N 1 2 397.438 4.388 20 0 GIADLO COc1ccc([C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C(C)C)cc1 ZINC000045149125 822365783 /nfs/dbraw/zinc/36/57/83/822365783.db2.gz JKNANTMPBHEYDQ-JOCHJYFZSA-N 1 2 392.503 4.137 20 0 GIADLO O=C(NCc1cc2ccccc2o1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178311721 822366332 /nfs/dbraw/zinc/36/63/32/822366332.db2.gz UZVJXEDWVNZFDD-UNMCSNQZSA-N 1 2 386.455 4.357 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cc1F ZINC000178327119 822367633 /nfs/dbraw/zinc/36/76/33/822367633.db2.gz YBWPANLGTFLKLI-CQSZACIVSA-N 1 2 399.491 4.072 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(F)cc2F)cc1 ZINC000045294240 822376716 /nfs/dbraw/zinc/37/67/16/822376716.db2.gz WHEPSWNTHHYGCR-UHFFFAOYSA-N 1 2 399.441 4.293 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccccc2C)cc1 ZINC000045294234 822376792 /nfs/dbraw/zinc/37/67/92/822376792.db2.gz MQPSFALRPKIOOD-UHFFFAOYSA-N 1 2 377.488 4.323 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000045304650 822377818 /nfs/dbraw/zinc/37/78/18/822377818.db2.gz DHKOEZSRBIAYGM-IIBYNOLFSA-N 1 2 394.544 4.301 20 0 GIADLO Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)n2)c1 ZINC000182847025 822378042 /nfs/dbraw/zinc/37/80/42/822378042.db2.gz WUPLBEXQKBEFMP-OAHLLOKOSA-N 1 2 391.397 4.097 20 0 GIADLO Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)n2)c1 ZINC000182847025 822378047 /nfs/dbraw/zinc/37/80/47/822378047.db2.gz WUPLBEXQKBEFMP-OAHLLOKOSA-N 1 2 391.397 4.097 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000178465767 822382007 /nfs/dbraw/zinc/38/20/07/822382007.db2.gz SFBCWKPPUQYBMN-UHFFFAOYSA-N 1 2 382.508 4.014 20 0 GIADLO Cc1cc(C(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c(C)n1Cc1cccs1 ZINC000178497766 822385382 /nfs/dbraw/zinc/38/53/82/822385382.db2.gz OZRCCFAKTMMUMZ-FQEVSTJZSA-N 1 2 396.560 4.140 20 0 GIADLO Cc1cc(C(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)c(C)n1Cc1cccs1 ZINC000178497766 822385387 /nfs/dbraw/zinc/38/53/87/822385387.db2.gz OZRCCFAKTMMUMZ-FQEVSTJZSA-N 1 2 396.560 4.140 20 0 GIADLO Cc1cc(Br)c(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)s1 ZINC000453567654 822385438 /nfs/dbraw/zinc/38/54/38/822385438.db2.gz WFCAFDVFDXQFNK-UHFFFAOYSA-N 1 2 393.350 4.167 20 0 GIADLO Cc1cc(Br)c(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)s1 ZINC000453567654 822385441 /nfs/dbraw/zinc/38/54/41/822385441.db2.gz WFCAFDVFDXQFNK-UHFFFAOYSA-N 1 2 393.350 4.167 20 0 GIADLO Cc1cc(Br)c(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)s1 ZINC000453577829 822387337 /nfs/dbraw/zinc/38/73/37/822387337.db2.gz XIHWRLBZNDCOGR-UHFFFAOYSA-N 1 2 396.354 4.035 20 0 GIADLO O=C1[C@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H]2CCCCN12 ZINC000453631161 822395681 /nfs/dbraw/zinc/39/56/81/822395681.db2.gz OQBNVBUPBDHUDW-HZPDHXFCSA-N 1 2 395.450 4.072 20 0 GIADLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CC[C@H](C)Sc3ccccc32)n1 ZINC000178670544 822401382 /nfs/dbraw/zinc/40/13/82/822401382.db2.gz DBEUKKNMNSHAPY-PKOBYXMFSA-N 1 2 381.545 4.444 20 0 GIADLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[C@H](C)Sc3ccccc32)n1 ZINC000178670544 822401383 /nfs/dbraw/zinc/40/13/83/822401383.db2.gz DBEUKKNMNSHAPY-PKOBYXMFSA-N 1 2 381.545 4.444 20 0 GIADLO C[N@H+](Cc1coc(-c2c(F)cccc2F)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178723563 822405741 /nfs/dbraw/zinc/40/57/41/822405741.db2.gz SEAJIZOMAZDSKO-AWEZNQCLSA-N 1 2 393.434 4.061 20 0 GIADLO C[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178723563 822405742 /nfs/dbraw/zinc/40/57/42/822405742.db2.gz SEAJIZOMAZDSKO-AWEZNQCLSA-N 1 2 393.434 4.061 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(C)c(-c3ncco3)c2)c1C ZINC000178740943 822406534 /nfs/dbraw/zinc/40/65/34/822406534.db2.gz IFASMKYAHHPEBY-UHFFFAOYSA-N 1 2 380.448 4.334 20 0 GIADLO CCCCOc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1OC ZINC000045757294 822411068 /nfs/dbraw/zinc/41/10/68/822411068.db2.gz YIRWVZMZYDQQPR-UHFFFAOYSA-N 1 2 393.487 4.049 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000178875318 822418108 /nfs/dbraw/zinc/41/81/08/822418108.db2.gz ZQRGFTYZVRBCGW-INIZCTEOSA-N 1 2 380.579 4.432 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000178875318 822418111 /nfs/dbraw/zinc/41/81/11/822418111.db2.gz ZQRGFTYZVRBCGW-INIZCTEOSA-N 1 2 380.579 4.432 20 0 GIADLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000183067297 822419784 /nfs/dbraw/zinc/41/97/84/822419784.db2.gz LBDIDFBSTYBDRR-ZYHUDNBSSA-N 1 2 376.457 4.199 20 0 GIADLO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)n1 ZINC000183075299 822421136 /nfs/dbraw/zinc/42/11/36/822421136.db2.gz HJJLRNWNKOYLSM-WCQYABFASA-N 1 2 388.493 4.068 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cnc3ccc(F)cc3c2)C[C@H](C)O1 ZINC000178984096 822426281 /nfs/dbraw/zinc/42/62/81/822426281.db2.gz AEEXDEVEFKDVQH-IYBDPMFKSA-N 1 2 393.462 4.235 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cnc3ccc(F)cc3c2)C[C@H](C)O1 ZINC000178984096 822426284 /nfs/dbraw/zinc/42/62/84/822426284.db2.gz AEEXDEVEFKDVQH-IYBDPMFKSA-N 1 2 393.462 4.235 20 0 GIADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183118524 822426906 /nfs/dbraw/zinc/42/69/06/822426906.db2.gz KZSGUZZOKIKYGP-HJOIGYKYSA-N 1 2 383.458 4.046 20 0 GIADLO O=C(Nc1ccccc1SC(F)F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045976733 822428580 /nfs/dbraw/zinc/42/85/80/822428580.db2.gz RACSANMALFLANV-UHFFFAOYSA-N 1 2 378.448 4.187 20 0 GIADLO CCC(CC)n1nc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000183163167 822433703 /nfs/dbraw/zinc/43/37/03/822433703.db2.gz LDYSBQAGAKVQOA-HDICACEKSA-N 1 2 398.551 4.414 20 0 GIADLO CCC(CC)n1nc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000183163167 822433704 /nfs/dbraw/zinc/43/37/04/822433704.db2.gz LDYSBQAGAKVQOA-HDICACEKSA-N 1 2 398.551 4.414 20 0 GIADLO CN(Cc1ccc2ccccc2c1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019252 822435341 /nfs/dbraw/zinc/43/53/41/822435341.db2.gz MTAFKPRICSXXNJ-UHFFFAOYSA-N 1 2 384.483 4.426 20 0 GIADLO CCOc1cc(Cl)ccc1CNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000179142062 822442696 /nfs/dbraw/zinc/44/26/96/822442696.db2.gz GKIYBORLMUTBMR-UHFFFAOYSA-N 1 2 391.899 4.101 20 0 GIADLO Cc1cc(C)c(CNC(=O)NCc2cccc(COCc3ccccc3)c2)c[nH+]1 ZINC000454266573 822446429 /nfs/dbraw/zinc/44/64/29/822446429.db2.gz XSCJBOUFFILNNM-UHFFFAOYSA-N 1 2 389.499 4.415 20 0 GIADLO Cc1ccc(C[NH2+][C@@H](C)c2ncc(Br)s2)c(O[C@H]2CCOC2)c1 ZINC000179239301 822456021 /nfs/dbraw/zinc/45/60/21/822456021.db2.gz QJKBRQKRWMRNJH-JSGCOSHPSA-N 1 2 397.338 4.233 20 0 GIADLO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183304684 822456065 /nfs/dbraw/zinc/45/60/65/822456065.db2.gz LRMNQRVHIWRZFI-QFIPXVFZSA-N 1 2 382.435 4.126 20 0 GIADLO COc1cc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc(OC)c1OC ZINC000183308455 822456972 /nfs/dbraw/zinc/45/69/72/822456972.db2.gz VADOXXHNTRVNMT-OAQYLSRUSA-N 1 2 382.435 4.126 20 0 GIADLO Cc1ccccc1SCC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046340852 822462739 /nfs/dbraw/zinc/46/27/39/822462739.db2.gz RSWMEZAOGMKEAN-HDICACEKSA-N 1 2 384.545 4.335 20 0 GIADLO Cc1ccccc1SCC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046340852 822462741 /nfs/dbraw/zinc/46/27/41/822462741.db2.gz RSWMEZAOGMKEAN-HDICACEKSA-N 1 2 384.545 4.335 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccccc2OC(F)F)C[C@H](C)O1 ZINC000046340912 822462930 /nfs/dbraw/zinc/46/29/30/822462930.db2.gz DNICCIDHCDOTGL-GJZGRUSLSA-N 1 2 390.430 4.150 20 0 GIADLO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1 ZINC000183405009 822468871 /nfs/dbraw/zinc/46/88/71/822468871.db2.gz CIZUKYHMOAXBMB-QFIPXVFZSA-N 1 2 398.528 4.188 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000454409017 822470856 /nfs/dbraw/zinc/47/08/56/822470856.db2.gz NVBQERSBHDBVSU-IYBDPMFKSA-N 1 2 394.519 4.138 20 0 GIADLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183435246 822474517 /nfs/dbraw/zinc/47/45/17/822474517.db2.gz FLSFNFMWKFVJRV-GOSISDBHSA-N 1 2 389.540 4.033 20 0 GIADLO C[C@H](F)CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000454468318 822480219 /nfs/dbraw/zinc/48/02/19/822480219.db2.gz ZNTYOIXYDCLTRY-KRWDZBQOSA-N 1 2 380.467 4.146 20 0 GIADLO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccn1 ZINC000179481644 822488942 /nfs/dbraw/zinc/48/89/42/822488942.db2.gz DKVGWQOJDAMUHG-GAJHUEQPSA-N 1 2 385.471 4.111 20 0 GIADLO COc1ccccc1[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccccn1 ZINC000179481787 822489095 /nfs/dbraw/zinc/48/90/95/822489095.db2.gz CGRBXXYEUJVLRR-WAIKUNEKSA-N 1 2 375.472 4.489 20 0 GIADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046618031 822493555 /nfs/dbraw/zinc/49/35/55/822493555.db2.gz STLOXTUHOJXKSU-CQSZACIVSA-N 1 2 375.925 4.001 20 0 GIADLO CSc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000179542821 822500120 /nfs/dbraw/zinc/50/01/20/822500120.db2.gz ZGQHGPZDQLEUPP-AEFFLSMTSA-N 1 2 377.460 4.254 20 0 GIADLO CSc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000179542821 822500122 /nfs/dbraw/zinc/50/01/22/822500122.db2.gz ZGQHGPZDQLEUPP-AEFFLSMTSA-N 1 2 377.460 4.254 20 0 GIADLO C[C@H]([NH2+][C@H](c1cccc(F)c1)c1ccccn1)c1ccc(S(C)(=O)=O)cc1 ZINC000179550536 822501799 /nfs/dbraw/zinc/50/17/99/822501799.db2.gz UCFUMQVLNAAJMN-YCRPNKLZSA-N 1 2 384.476 4.064 20 0 GIADLO Cc1cc2ncc([C@H](C)[NH2+][C@H](c3cccc(F)c3)c3ccccn3)c(C)n2n1 ZINC000179553556 822502435 /nfs/dbraw/zinc/50/24/35/822502435.db2.gz HJDQIDFURKPBBN-OYHNWAKOSA-N 1 2 375.451 4.320 20 0 GIADLO Cc1ccc(Oc2ccccc2CC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000454600217 822503994 /nfs/dbraw/zinc/50/39/94/822503994.db2.gz PORAKWSFQLCOIX-UHFFFAOYSA-N 1 2 389.499 4.222 20 0 GIADLO O=C1CCCN1C[C@@H]([NH2+]Cc1csc(-c2ccccc2F)n1)c1ccccc1 ZINC000179565303 822504470 /nfs/dbraw/zinc/50/44/70/822504470.db2.gz VZQJRRMYNUOMAM-HXUWFJFHSA-N 1 2 395.503 4.403 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000179580342 822506615 /nfs/dbraw/zinc/50/66/15/822506615.db2.gz YVBCNBGPAKZSSL-UHFFFAOYSA-N 1 2 397.700 4.187 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000179580342 822506617 /nfs/dbraw/zinc/50/66/17/822506617.db2.gz YVBCNBGPAKZSSL-UHFFFAOYSA-N 1 2 397.700 4.187 20 0 GIADLO COc1ccccc1-c1nnc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)o1 ZINC000179585321 822507256 /nfs/dbraw/zinc/50/72/56/822507256.db2.gz IQQQGVZDVSKZLX-LBPRGKRZSA-N 1 2 375.375 4.197 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3cccc(OC(F)F)c3)n2)cc1 ZINC000179593106 822508836 /nfs/dbraw/zinc/50/88/36/822508836.db2.gz ODJUJXHQPNZIRM-GFCCVEGCSA-N 1 2 375.375 4.197 20 0 GIADLO O=C(C1CC[NH+](Cc2csc(C3CC3)n2)CC1)N(Cc1ccccc1)C1CC1 ZINC000179605241 822511405 /nfs/dbraw/zinc/51/14/05/822511405.db2.gz LAYGSVUURRVEHE-UHFFFAOYSA-N 1 2 395.572 4.424 20 0 GIADLO COc1ccc(-c2noc(C[NH2+]C(C)(C)c3cccc(Cl)c3)n2)c(OC)c1 ZINC000179606390 822511670 /nfs/dbraw/zinc/51/16/70/822511670.db2.gz TZDHDOJQDAVPJL-UHFFFAOYSA-N 1 2 387.867 4.432 20 0 GIADLO COc1cc(-c2noc(C[NH2+][C@H](C)c3cc(OC)c(OC)cc3C)n2)ccc1C ZINC000179624366 822514796 /nfs/dbraw/zinc/51/47/96/822514796.db2.gz KUMSHBLDGCDZEA-OAHLLOKOSA-N 1 2 397.475 4.230 20 0 GIADLO CCC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCO1 ZINC000183757764 822523180 /nfs/dbraw/zinc/52/31/80/822523180.db2.gz XVDVGQNEUDHHDZ-KFKAGJAMSA-N 1 2 396.934 4.155 20 0 GIADLO CCC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCO1 ZINC000183757764 822523182 /nfs/dbraw/zinc/52/31/82/822523182.db2.gz XVDVGQNEUDHHDZ-KFKAGJAMSA-N 1 2 396.934 4.155 20 0 GIADLO COc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c2cccnc12 ZINC000183768321 822525690 /nfs/dbraw/zinc/52/56/90/822525690.db2.gz TURZWPUWGJNVFZ-HNNXBMFYSA-N 1 2 396.516 4.216 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@H]1CCCc2c(F)cccc21 ZINC000454752639 822528366 /nfs/dbraw/zinc/52/83/66/822528366.db2.gz GDOHMMSWLBIIOM-IBGZPJMESA-N 1 2 394.450 4.300 20 0 GIADLO C[C@@]1(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000454757960 822528942 /nfs/dbraw/zinc/52/89/42/822528942.db2.gz LVWHGXZHKWXNEH-PGRDOPGGSA-N 1 2 376.460 4.030 20 0 GIADLO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000179701921 822530672 /nfs/dbraw/zinc/53/06/72/822530672.db2.gz HZBPHVIJGOXTNQ-KRWDZBQOSA-N 1 2 376.243 4.241 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000046920377 822530957 /nfs/dbraw/zinc/53/09/57/822530957.db2.gz XTWOUTYHHLDZKF-NRFANRHFSA-N 1 2 378.451 4.117 20 0 GIADLO CN(Cc1csc2ccccc12)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943547 822533232 /nfs/dbraw/zinc/53/32/32/822533232.db2.gz DRQZOXISRXGYBT-UHFFFAOYSA-N 1 2 380.517 4.107 20 0 GIADLO Cc1cnc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)s1 ZINC000179720000 822534708 /nfs/dbraw/zinc/53/47/08/822534708.db2.gz HTRMLODZYFWJQE-UHFFFAOYSA-N 1 2 385.562 4.310 20 0 GIADLO Fc1ccc(C[C@@H]([NH2+]Cc2nnc3n2CCCC3)c2ccccc2Cl)cc1 ZINC000183850660 822535858 /nfs/dbraw/zinc/53/58/58/822535858.db2.gz CRVBMDWSHHCMNI-LJQANCHMSA-N 1 2 384.886 4.481 20 0 GIADLO CC[C@@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccccc1OCC(=O)N(C)C ZINC000179730036 822537058 /nfs/dbraw/zinc/53/70/58/822537058.db2.gz YBYVJZLSWKEFRO-MRXNPFEDSA-N 1 2 399.516 4.111 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NCC1CCCC1 ZINC000047014546 822537601 /nfs/dbraw/zinc/53/76/01/822537601.db2.gz NMEWJYFVEZCAPO-UHFFFAOYSA-N 1 2 384.524 4.074 20 0 GIADLO Cc1nc(N2CCN(C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2)cc[nH+]1 ZINC000183863755 822537782 /nfs/dbraw/zinc/53/77/82/822537782.db2.gz CXXCRALISCBHFE-UHFFFAOYSA-N 1 2 381.524 4.386 20 0 GIADLO C[C@H]1CCc2c(sc3nc(C[NH2+][C@@H](CCCO)c4ccccc4)nc(N)c23)C1 ZINC000179734231 822538280 /nfs/dbraw/zinc/53/82/80/822538280.db2.gz QDMYBMKIFYYWCR-YOEHRIQHSA-N 1 2 396.560 4.002 20 0 GIADLO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000179739876 822539896 /nfs/dbraw/zinc/53/98/96/822539896.db2.gz OJPYJECEWPSDDT-WMZOPIPTSA-N 1 2 391.309 4.115 20 0 GIADLO Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000183904268 822543628 /nfs/dbraw/zinc/54/36/28/822543628.db2.gz CGGVHAYPMPLNDD-AZUAARDMSA-N 1 2 381.520 4.290 20 0 GIADLO Cc1oc(-c2cccs2)nc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183910936 822544687 /nfs/dbraw/zinc/54/46/87/822544687.db2.gz AXSYFRWOGXHZOA-OAHLLOKOSA-N 1 2 393.306 4.297 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)o1 ZINC000179762706 822546303 /nfs/dbraw/zinc/54/63/03/822546303.db2.gz GLZYKNZIWNCOCW-MRXNPFEDSA-N 1 2 390.487 4.168 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)c[nH+]1 ZINC000454914745 822555954 /nfs/dbraw/zinc/55/59/54/822555954.db2.gz OSOBNKWLUWIBII-UHFFFAOYSA-N 1 2 381.411 4.087 20 0 GIADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047242194 822557837 /nfs/dbraw/zinc/55/78/37/822557837.db2.gz YWXLWZVLWFAFNM-UHFFFAOYSA-N 1 2 383.473 4.039 20 0 GIADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)on1 ZINC000047273503 822560615 /nfs/dbraw/zinc/56/06/15/822560615.db2.gz DAUIJITYWLDWOK-BLLLJJGKSA-N 1 2 382.291 4.304 20 0 GIADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)on1 ZINC000047273503 822560619 /nfs/dbraw/zinc/56/06/19/822560619.db2.gz DAUIJITYWLDWOK-BLLLJJGKSA-N 1 2 382.291 4.304 20 0 GIADLO COc1ccc([C@H]([NH2+]Cc2cc(-c3cnn(C)c3)no2)c2ccc(F)cc2)cc1 ZINC000183998332 822560722 /nfs/dbraw/zinc/56/07/22/822560722.db2.gz XDWRPXCUCCYAEM-JOCHJYFZSA-N 1 2 392.434 4.102 20 0 GIADLO Cc1c(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cnn1-c1ccccc1 ZINC000184008151 822562845 /nfs/dbraw/zinc/56/28/45/822562845.db2.gz VEOAMYVTCZMARX-INIZCTEOSA-N 1 2 395.532 4.153 20 0 GIADLO CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047298015 822563164 /nfs/dbraw/zinc/56/31/64/822563164.db2.gz JYIDHWWSLTYNRN-UHFFFAOYSA-N 1 2 389.377 4.102 20 0 GIADLO CC[C@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1c(C)noc1C ZINC000184048294 822570532 /nfs/dbraw/zinc/57/05/32/822570532.db2.gz ORJXOUOBTAALIK-INIZCTEOSA-N 1 2 380.279 4.420 20 0 GIADLO CC(C)c1cnc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)s1 ZINC000184059327 822572565 /nfs/dbraw/zinc/57/25/65/822572565.db2.gz PBQSHMNKETVULO-APWZRJJASA-N 1 2 379.957 4.081 20 0 GIADLO CC(C)c1cnc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)s1 ZINC000184059327 822572569 /nfs/dbraw/zinc/57/25/69/822572569.db2.gz PBQSHMNKETVULO-APWZRJJASA-N 1 2 379.957 4.081 20 0 GIADLO Cc1cc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc(C)c1O ZINC000047377647 822572662 /nfs/dbraw/zinc/57/26/62/822572662.db2.gz ZSHDYSTUHXNVBH-CYBMUJFWSA-N 1 2 388.537 4.019 20 0 GIADLO Cc1cc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc(C)c1O ZINC000047377647 822572665 /nfs/dbraw/zinc/57/26/65/822572665.db2.gz ZSHDYSTUHXNVBH-CYBMUJFWSA-N 1 2 388.537 4.019 20 0 GIADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC[C@]2(CCSC2)C1 ZINC000455023937 822573236 /nfs/dbraw/zinc/57/32/36/822573236.db2.gz NLUQZPIINDOMDV-QFIPXVFZSA-N 1 2 394.544 4.353 20 0 GIADLO COCOc1ccc(OC)cc1CNc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000179903455 822574200 /nfs/dbraw/zinc/57/42/00/822574200.db2.gz SGUZJSKGWGAJNP-UHFFFAOYSA-N 1 2 393.487 4.490 20 0 GIADLO C[S@](=O)Cc1cccc(NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000179906899 822574748 /nfs/dbraw/zinc/57/47/48/822574748.db2.gz DFWUVSZHBWSHPJ-SANMLTNESA-N 1 2 394.943 4.434 20 0 GIADLO C[C@@H](O[NH+]=C(N)Cc1cccnc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000179925595 822578184 /nfs/dbraw/zinc/57/81/84/822578184.db2.gz KEYRUHDDFWMWKP-SNVBAGLBSA-N 1 2 392.246 4.031 20 0 GIADLO Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000047514968 822585760 /nfs/dbraw/zinc/58/57/60/822585760.db2.gz ZECNSRRMDYVUCZ-UHFFFAOYSA-N 1 2 388.427 4.308 20 0 GIADLO CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000047533778 822588143 /nfs/dbraw/zinc/58/81/43/822588143.db2.gz XODNGASSTGXQOW-UHFFFAOYSA-N 1 2 378.432 4.472 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000455105127 822589446 /nfs/dbraw/zinc/58/94/46/822589446.db2.gz IZRRMNXEBFGLDQ-QAQDUYKDSA-N 1 2 388.943 4.467 20 0 GIADLO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455107998 822589821 /nfs/dbraw/zinc/58/98/21/822589821.db2.gz LXONGAUHHLDJRZ-YPMHNXCESA-N 1 2 386.805 4.008 20 0 GIADLO CC[N@H+](CCCS(=O)(=O)c1ccccc1OC)Cc1ccc(Cl)s1 ZINC000184175166 822590967 /nfs/dbraw/zinc/59/09/67/822590967.db2.gz ABMVTEQQENPSGO-UHFFFAOYSA-N 1 2 387.954 4.096 20 0 GIADLO CC[N@@H+](CCCS(=O)(=O)c1ccccc1OC)Cc1ccc(Cl)s1 ZINC000184175166 822590968 /nfs/dbraw/zinc/59/09/68/822590968.db2.gz ABMVTEQQENPSGO-UHFFFAOYSA-N 1 2 387.954 4.096 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCc2ccccc2)C[C@H](C)O1 ZINC000047569982 822592034 /nfs/dbraw/zinc/59/20/34/822592034.db2.gz ZDIBNAPOMSBUKD-OALUTQOASA-N 1 2 381.520 4.002 20 0 GIADLO CCc1cc2c(C[NH2+][C@H](COCC(C)C)c3ccco3)cc(=O)oc2cc1O ZINC000184185984 822592453 /nfs/dbraw/zinc/59/24/53/822592453.db2.gz YAXZVXIKMZLBIA-GOSISDBHSA-N 1 2 385.460 4.158 20 0 GIADLO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000180003432 822593818 /nfs/dbraw/zinc/59/38/18/822593818.db2.gz FLQPMDPUUSVVHC-UHFFFAOYSA-N 1 2 398.450 4.223 20 0 GIADLO O=C(c1ccccc1F)N1CCC[N@H+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000180003432 822593820 /nfs/dbraw/zinc/59/38/20/822593820.db2.gz FLQPMDPUUSVVHC-UHFFFAOYSA-N 1 2 398.450 4.223 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(Cc3nnc(-c4ccccc4)s3)CC2)c1 ZINC000184200432 822595019 /nfs/dbraw/zinc/59/50/19/822595019.db2.gz OFBOFXPJKHKYJN-KRWDZBQOSA-N 1 2 394.544 4.093 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000184200659 822595239 /nfs/dbraw/zinc/59/52/39/822595239.db2.gz KLKJEFFENQBLLP-KUHUBIRLSA-N 1 2 375.513 4.289 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047625338 822597975 /nfs/dbraw/zinc/59/79/75/822597975.db2.gz HFUBTJQSRVCDOS-HOTGVXAUSA-N 1 2 380.517 4.127 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 ZINC000184258286 822604463 /nfs/dbraw/zinc/60/44/63/822604463.db2.gz KUODDLJQLGLOBV-CQSZACIVSA-N 1 2 387.505 4.172 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C(F)F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000184263640 822605286 /nfs/dbraw/zinc/60/52/86/822605286.db2.gz ODKWMGUMVGXNAY-MSOLQXFVSA-N 1 2 395.400 4.147 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C(F)F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000184263640 822605289 /nfs/dbraw/zinc/60/52/89/822605289.db2.gz ODKWMGUMVGXNAY-MSOLQXFVSA-N 1 2 395.400 4.147 20 0 GIADLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797907 822609965 /nfs/dbraw/zinc/60/99/65/822609965.db2.gz DXVXCGOLFNFNAM-HNNXBMFYSA-N 1 2 386.442 4.195 20 0 GIADLO Cc1ccccc1C(NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccccc1C ZINC000184371235 822623677 /nfs/dbraw/zinc/62/36/77/822623677.db2.gz WMURDDAJRFJGJV-FQEVSTJZSA-N 1 2 388.515 4.464 20 0 GIADLO Cc1ccccc1C(NC(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1C ZINC000184371850 822623723 /nfs/dbraw/zinc/62/37/23/822623723.db2.gz QHGHOSGIBASNGD-UHFFFAOYSA-N 1 2 376.504 4.321 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(Cl)c3cccnc23)CC1 ZINC000184372937 822623844 /nfs/dbraw/zinc/62/38/44/822623844.db2.gz CQIYFRIEKLXLJQ-AWEZNQCLSA-N 1 2 385.920 4.469 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(Cl)c3cccnc23)CC1 ZINC000184372958 822623946 /nfs/dbraw/zinc/62/39/46/822623946.db2.gz CQIYFRIEKLXLJQ-CQSZACIVSA-N 1 2 385.920 4.469 20 0 GIADLO CCCCc1nc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cs1 ZINC000048057175 822627886 /nfs/dbraw/zinc/62/78/86/822627886.db2.gz MADPPYLKNRTQRB-UHFFFAOYSA-N 1 2 375.513 4.019 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)C[C@H]1n1cc[nH+]c1 ZINC000184423840 822632597 /nfs/dbraw/zinc/63/25/97/822632597.db2.gz OORVHHFYNMTSLX-CRAIPNDOSA-N 1 2 381.505 4.045 20 0 GIADLO CC(C)COc1ccccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048118021 822634759 /nfs/dbraw/zinc/63/47/59/822634759.db2.gz VQDCTUMYVHKGFV-UHFFFAOYSA-N 1 2 378.476 4.288 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(N(C)C)c3C)CC2)s1 ZINC000180191582 822636188 /nfs/dbraw/zinc/63/61/88/822636188.db2.gz BTFKKLWUFWSUMM-UHFFFAOYSA-N 1 2 386.565 4.035 20 0 GIADLO O=S1(=O)CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)C1 ZINC000184465788 822640863 /nfs/dbraw/zinc/64/08/63/822640863.db2.gz UJSDOTSPOPMGGM-QAPCUYQASA-N 1 2 384.328 4.250 20 0 GIADLO CCCc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[nH]c(C)c1C(C)=O ZINC000048182760 822642872 /nfs/dbraw/zinc/64/28/72/822642872.db2.gz RZHPVLGMOBWPGC-SFHVURJKSA-N 1 2 385.508 4.028 20 0 GIADLO CC(C)Oc1ccccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000048193737 822644255 /nfs/dbraw/zinc/64/42/55/822644255.db2.gz JVCQBHLYDUUCRB-UHFFFAOYSA-N 1 2 378.476 4.083 20 0 GIADLO Cc1ccsc1C[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000048216928 822646145 /nfs/dbraw/zinc/64/61/45/822646145.db2.gz IACRSOPXGSXGBX-INIZCTEOSA-N 1 2 383.473 4.052 20 0 GIADLO Cc1ccsc1C[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000048216928 822646146 /nfs/dbraw/zinc/64/61/46/822646146.db2.gz IACRSOPXGSXGBX-INIZCTEOSA-N 1 2 383.473 4.052 20 0 GIADLO Cc1cccc(C[NH+]2CCN(C(=O)CCCCC(=O)c3ccccc3)CC2)c1 ZINC000048225834 822646815 /nfs/dbraw/zinc/64/68/15/822646815.db2.gz YZKHDRKDNCSGAO-UHFFFAOYSA-N 1 2 378.516 4.083 20 0 GIADLO Cc1c([C@@H](C)[NH2+]Cc2ccn(-c3ccccc3F)n2)cnn1-c1ccc(F)cc1 ZINC000180249561 822648089 /nfs/dbraw/zinc/64/80/89/822648089.db2.gz RZJOWNOKNUABRJ-OAHLLOKOSA-N 1 2 393.441 4.495 20 0 GIADLO Cc1csc2nc(C[NH2+][C@@H](C)c3nc(-c4ccccc4)cs3)cc(=O)n12 ZINC000184520071 822649971 /nfs/dbraw/zinc/64/99/71/822649971.db2.gz YOEMYJCGDFWJSF-ZDUSSCGKSA-N 1 2 382.514 4.039 20 0 GIADLO O=C(C[N@H+](Cc1cccnc1)C1CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000180279917 822653844 /nfs/dbraw/zinc/65/38/44/822653844.db2.gz SLOQMRQMPPUDDO-UHFFFAOYSA-N 1 2 393.487 4.116 20 0 GIADLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000180279917 822653847 /nfs/dbraw/zinc/65/38/47/822653847.db2.gz SLOQMRQMPPUDDO-UHFFFAOYSA-N 1 2 393.487 4.116 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C1=CC[C@H](C)CC1 ZINC000455460098 822658726 /nfs/dbraw/zinc/65/87/26/822658726.db2.gz HKPICZCWAWOTEM-IBGZPJMESA-N 1 2 381.520 4.447 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455471005 822660836 /nfs/dbraw/zinc/66/08/36/822660836.db2.gz BGNPEZCOYDGNCG-LLVKDONJSA-N 1 2 383.418 4.265 20 0 GIADLO O=C(NCc1ccc(C(F)F)cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000184581719 822661092 /nfs/dbraw/zinc/66/10/92/822661092.db2.gz NHJQBUPGUPGILY-SFHVURJKSA-N 1 2 376.472 4.031 20 0 GIADLO CC(C)c1ccc(NC(=O)C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000184599326 822663851 /nfs/dbraw/zinc/66/38/51/822663851.db2.gz XNQJXNQQFAHYNQ-JOCHJYFZSA-N 1 2 380.467 4.000 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)n1 ZINC000455512663 822668920 /nfs/dbraw/zinc/66/89/20/822668920.db2.gz HYEJJLFOEIRKRY-OAHLLOKOSA-N 1 2 388.493 4.009 20 0 GIADLO Cc1cc(C)c(NC(=O)NCCc2cccc(OCC(F)(F)F)c2)c(C)[nH+]1 ZINC000455514340 822669085 /nfs/dbraw/zinc/66/90/85/822669085.db2.gz JJMMEIUBHVIMPN-UHFFFAOYSA-N 1 2 381.398 4.312 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)c(C)[nH+]1 ZINC000455530978 822671284 /nfs/dbraw/zinc/67/12/84/822671284.db2.gz RWMWPKLPAUKVFL-AWEZNQCLSA-N 1 2 394.244 4.164 20 0 GIADLO C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000184656607 822671651 /nfs/dbraw/zinc/67/16/51/822671651.db2.gz HLRCESORDJUIBI-YLJYHZDGSA-N 1 2 387.483 4.347 20 0 GIADLO C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000048567793 822672972 /nfs/dbraw/zinc/67/29/72/822672972.db2.gz PABBUEKLPFSRNH-CQSZACIVSA-N 1 2 392.425 4.130 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c[nH+]1 ZINC000455558673 822674601 /nfs/dbraw/zinc/67/46/01/822674601.db2.gz MXGQGKYEXGKBBR-GOSISDBHSA-N 1 2 393.409 4.000 20 0 GIADLO CC(=O)N1CCC[N@@H+](Cc2ccc(Br)cc2SC(C)C)CC1 ZINC000180418338 822678276 /nfs/dbraw/zinc/67/82/76/822678276.db2.gz MSHJIJQXHCTDBD-UHFFFAOYSA-N 1 2 385.371 4.004 20 0 GIADLO CC(=O)N1CCC[N@H+](Cc2ccc(Br)cc2SC(C)C)CC1 ZINC000180418338 822678277 /nfs/dbraw/zinc/67/82/77/822678277.db2.gz MSHJIJQXHCTDBD-UHFFFAOYSA-N 1 2 385.371 4.004 20 0 GIADLO Cc1c(-c2cc(C[NH2+][C@@H](CC(F)(F)F)c3ccc(F)cc3)on2)cnn1C ZINC000184720690 822681876 /nfs/dbraw/zinc/68/18/76/822681876.db2.gz UPCMBCPXYCLMQF-KRWDZBQOSA-N 1 2 382.361 4.306 20 0 GIADLO Cc1c([C@@H](C)[NH2+]Cc2sccc2Br)nnn1-c1ccc(F)cc1 ZINC000180479929 822688744 /nfs/dbraw/zinc/68/87/44/822688744.db2.gz HEIHVWIHKMZIHS-SNVBAGLBSA-N 1 2 395.301 4.390 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000184819602 822695434 /nfs/dbraw/zinc/69/54/34/822695434.db2.gz ARPNVANSERMZBJ-BZNIZROVSA-N 1 2 385.291 4.453 20 0 GIADLO COc1ccc2c(C[NH2+][C@H](C)c3ncc(-c4ccccc4)o3)cc(=O)oc2c1 ZINC000184859127 822701718 /nfs/dbraw/zinc/70/17/18/822701718.db2.gz NXHPVDZGRRVNDB-CQSZACIVSA-N 1 2 376.412 4.307 20 0 GIADLO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184861288 822702173 /nfs/dbraw/zinc/70/21/73/822702173.db2.gz RSJONQJWBFOVKA-INIZCTEOSA-N 1 2 381.451 4.180 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1c2ccccc2C[C@H]1C ZINC000184862182 822702397 /nfs/dbraw/zinc/70/23/97/822702397.db2.gz ZGHHSENPKBDCJU-IKGGRYGDSA-N 1 2 375.472 4.359 20 0 GIADLO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184862710 822702567 /nfs/dbraw/zinc/70/25/67/822702567.db2.gz YOBHTSCESNJONX-MSOLQXFVSA-N 1 2 377.488 4.048 20 0 GIADLO Cc1ccc(F)c(Br)c1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000455691723 822703236 /nfs/dbraw/zinc/70/32/36/822703236.db2.gz ILRNICPYRJFSFL-UHFFFAOYSA-N 1 2 395.276 4.093 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1OC ZINC000184890502 822708224 /nfs/dbraw/zinc/70/82/24/822708224.db2.gz KUDUZZKFJYTFDO-LSDHHAIUSA-N 1 2 395.459 4.037 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000184893938 822708878 /nfs/dbraw/zinc/70/88/78/822708878.db2.gz ABVQCJXTGPEJJN-GPMSIDNRSA-N 1 2 391.471 4.021 20 0 GIADLO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1Cl ZINC000184904126 822710593 /nfs/dbraw/zinc/71/05/93/822710593.db2.gz NATGRTPOHRCRGO-CYBMUJFWSA-N 1 2 385.851 4.293 20 0 GIADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1sccc1-c1ccccc1 ZINC000049958349 822712486 /nfs/dbraw/zinc/71/24/86/822712486.db2.gz OUWAFUNAAGGSAU-FQEVSTJZSA-N 1 2 392.524 4.046 20 0 GIADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1sccc1-c1ccccc1 ZINC000049958349 822712488 /nfs/dbraw/zinc/71/24/88/822712488.db2.gz OUWAFUNAAGGSAU-FQEVSTJZSA-N 1 2 392.524 4.046 20 0 GIADLO Cc1cc(Cl)c(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000455735898 822717150 /nfs/dbraw/zinc/71/71/50/822717150.db2.gz SPTWRJJOPCMYSJ-UHFFFAOYSA-N 1 2 387.911 4.111 20 0 GIADLO Cc1nc(N2CCN(C(=O)c3cc4sc5ccccc5c4s3)CC2)cc[nH+]1 ZINC000184948634 822717221 /nfs/dbraw/zinc/71/72/21/822717221.db2.gz UJJXPVLDDQSYED-UHFFFAOYSA-N 1 2 394.525 4.177 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccc2c(c1)OCO2 ZINC000184957802 822718372 /nfs/dbraw/zinc/71/83/72/822718372.db2.gz WPDCNBSJWFFZEZ-UWVGGRQHSA-N 1 2 382.229 4.434 20 0 GIADLO Cc1ccc(F)c(Br)c1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000455755031 822720350 /nfs/dbraw/zinc/72/03/50/822720350.db2.gz RKMDVXXMXHGBLV-UHFFFAOYSA-N 1 2 395.276 4.305 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N(C)C(c2ccccc2)c2ccccc2)s1 ZINC000184974022 822720376 /nfs/dbraw/zinc/72/03/76/822720376.db2.gz DXSKHSISVSXXMI-KRWDZBQOSA-N 1 2 379.529 4.350 20 0 GIADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S ZINC000184978582 822720936 /nfs/dbraw/zinc/72/09/36/822720936.db2.gz IBEZMRDYLVPQDP-KUHUBIRLSA-N 1 2 399.564 4.317 20 0 GIADLO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S ZINC000184978582 822720937 /nfs/dbraw/zinc/72/09/37/822720937.db2.gz IBEZMRDYLVPQDP-KUHUBIRLSA-N 1 2 399.564 4.317 20 0 GIADLO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@H](C)c2ncc(C)s2)cc1 ZINC000184988334 822722309 /nfs/dbraw/zinc/72/23/09/822722309.db2.gz OZHRGUWMQROHDA-VQIMIIECSA-N 1 2 387.549 4.255 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC000184988308 822722320 /nfs/dbraw/zinc/72/23/20/822722320.db2.gz QJUIZUAGHPLTEO-MRXNPFEDSA-N 1 2 386.542 4.444 20 0 GIADLO C[C@@H](c1ccccc1Br)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184989711 822722496 /nfs/dbraw/zinc/72/24/96/822722496.db2.gz GMUIWMIHEIEVAK-LBPRGKRZSA-N 1 2 375.270 4.031 20 0 GIADLO C[C@@H](c1ccccc1Br)[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184989711 822722498 /nfs/dbraw/zinc/72/24/98/822722498.db2.gz GMUIWMIHEIEVAK-LBPRGKRZSA-N 1 2 375.270 4.031 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)s1 ZINC000185016766 822725637 /nfs/dbraw/zinc/72/56/37/822725637.db2.gz TWZHBNPKOSIFCJ-UGSOOPFHSA-N 1 2 389.521 4.209 20 0 GIADLO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(Br)cc(F)c1O ZINC000185026011 822726664 /nfs/dbraw/zinc/72/66/64/822726664.db2.gz JSBPBWWGSFTTKF-LBPRGKRZSA-N 1 2 394.288 4.008 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1nccs1 ZINC000185039909 822728039 /nfs/dbraw/zinc/72/80/39/822728039.db2.gz FOEXWZUTEWQTGH-PMACEKPBSA-N 1 2 379.529 4.284 20 0 GIADLO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cn1 ZINC000185046205 822728764 /nfs/dbraw/zinc/72/87/64/822728764.db2.gz UWINAVVRPLSTAW-NSHDSACASA-N 1 2 383.261 4.327 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(Br)ccc2Cl)c1C ZINC000050449248 822729710 /nfs/dbraw/zinc/72/97/10/822729710.db2.gz QAUSCCJHJHTZHB-UHFFFAOYSA-N 1 2 383.673 4.053 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1nccs1 ZINC000185058273 822730469 /nfs/dbraw/zinc/73/04/69/822730469.db2.gz MNQVAPPXZYTZHB-SMDDNHRTSA-N 1 2 390.509 4.474 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000185219907 822750708 /nfs/dbraw/zinc/75/07/08/822750708.db2.gz OUMQBCMMJVVUOK-OLZOCXBDSA-N 1 2 375.325 4.171 20 0 GIADLO CCC1(CC)C[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[S@]1=O ZINC000185223675 822751263 /nfs/dbraw/zinc/75/12/63/822751263.db2.gz SSJJGTFZKOOQLN-AREMUKBSSA-N 1 2 380.554 4.157 20 0 GIADLO CCC1(CC)C[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[S@]1=O ZINC000185223675 822751266 /nfs/dbraw/zinc/75/12/66/822751266.db2.gz SSJJGTFZKOOQLN-AREMUKBSSA-N 1 2 380.554 4.157 20 0 GIADLO Cc1nc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)sc1Cc1cccc(Cl)c1 ZINC000455931411 822751853 /nfs/dbraw/zinc/75/18/53/822751853.db2.gz PHPHGJZOBXPDQY-GFCCVEGCSA-N 1 2 389.912 4.102 20 0 GIADLO COc1ccc(S[C@@H](C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000051283730 822754189 /nfs/dbraw/zinc/75/41/89/822754189.db2.gz AQRDSFWIQVQORD-AWEZNQCLSA-N 1 2 391.562 4.257 20 0 GIADLO Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)CO2 ZINC000185255695 822755355 /nfs/dbraw/zinc/75/53/55/822755355.db2.gz PYPLMYSKESYQOZ-DBXWQHBBSA-N 1 2 394.515 4.027 20 0 GIADLO CCOc1ccc([C@H]2CCCN2C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000051334001 822756505 /nfs/dbraw/zinc/75/65/05/822756505.db2.gz MFKFOXKDDSRMBM-HXUWFJFHSA-N 1 2 383.492 4.152 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1C ZINC000051335523 822756636 /nfs/dbraw/zinc/75/66/36/822756636.db2.gz VXJLANZIIUNHLQ-ZDUSSCGKSA-N 1 2 381.398 4.286 20 0 GIADLO COc1ccc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)c(Br)c1OC ZINC000185291606 822760323 /nfs/dbraw/zinc/76/03/23/822760323.db2.gz DZEDGMITQBVVHC-OAHLLOKOSA-N 1 2 397.338 4.472 20 0 GIADLO Cc1ccc(Oc2ccccc2CC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000455991944 822762897 /nfs/dbraw/zinc/76/28/97/822762897.db2.gz FNHGLGMVJCOKCL-LJQANCHMSA-N 1 2 375.472 4.079 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c1C ZINC000051613197 822768107 /nfs/dbraw/zinc/76/81/07/822768107.db2.gz AQTHNYVWHQUTQJ-UHFFFAOYSA-N 1 2 396.413 4.114 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cccc(CC(F)(F)F)c1 ZINC000174317569 822770035 /nfs/dbraw/zinc/77/00/35/822770035.db2.gz KKBBDDQKACRYEJ-UHFFFAOYSA-N 1 2 392.356 4.438 20 0 GIADLO CCOCc1ccccc1CNC(=O)C[N@H+](CC)Cc1ccc(Cl)s1 ZINC000051679223 822773457 /nfs/dbraw/zinc/77/34/57/822773457.db2.gz UXMFXBYYGFHJDS-UHFFFAOYSA-N 1 2 380.941 4.076 20 0 GIADLO CCOCc1ccccc1CNC(=O)C[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000051679223 822773460 /nfs/dbraw/zinc/77/34/60/822773460.db2.gz UXMFXBYYGFHJDS-UHFFFAOYSA-N 1 2 380.941 4.076 20 0 GIADLO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3nc(Cc4ccccc4)no3)cc2)n1 ZINC000185381906 822775527 /nfs/dbraw/zinc/77/55/27/822775527.db2.gz VWMCCHMPELAFID-SFHVURJKSA-N 1 2 387.487 4.314 20 0 GIADLO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3nc(Cc4ccccc4)no3)ccc2o1 ZINC000185403600 822779378 /nfs/dbraw/zinc/77/93/78/822779378.db2.gz VHMBFYRJFWVYCO-CQSZACIVSA-N 1 2 391.427 4.044 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185413701 822780647 /nfs/dbraw/zinc/78/06/47/822780647.db2.gz SOTRKYDCDQYUMX-HSZRJFAPSA-N 1 2 394.494 4.309 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185413683 822780715 /nfs/dbraw/zinc/78/07/15/822780715.db2.gz SOTRKYDCDQYUMX-QHCPKHFHSA-N 1 2 394.494 4.309 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1Oc1cccnc1 ZINC000051983242 822785843 /nfs/dbraw/zinc/78/58/43/822785843.db2.gz XWVIQGYQDJYVOK-UHFFFAOYSA-N 1 2 388.402 4.129 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174428374 822788698 /nfs/dbraw/zinc/78/86/98/822788698.db2.gz AUJNEXJTIOGEIN-CQSZACIVSA-N 1 2 391.406 4.309 20 0 GIADLO OC1(c2ccccc2)CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000185486811 822789741 /nfs/dbraw/zinc/78/97/41/822789741.db2.gz VNSBWUCTKUEZRR-UHFFFAOYSA-N 1 2 376.287 4.125 20 0 GIADLO Clc1ccc(OCc2nnc(SCCCn3cc[nH+]c3)o2)c(Cl)c1 ZINC000185487870 822789844 /nfs/dbraw/zinc/78/98/44/822789844.db2.gz WUYFQSMSBUNZOW-UHFFFAOYSA-N 1 2 385.276 4.334 20 0 GIADLO CC(C)Oc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(F)c1 ZINC000052266819 822795310 /nfs/dbraw/zinc/79/53/10/822795310.db2.gz OCPACMLRRMLDRS-UHFFFAOYSA-N 1 2 396.466 4.222 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000174484038 822795553 /nfs/dbraw/zinc/79/55/53/822795553.db2.gz CGQVSJHDCRIGKG-FQEVSTJZSA-N 1 2 394.563 4.351 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCSc1ccccc1 ZINC000174525488 822800929 /nfs/dbraw/zinc/80/09/29/822800929.db2.gz AOXUCUMAMGSVKP-UHFFFAOYSA-N 1 2 398.576 4.122 20 0 GIADLO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2csc(C(C)C)n2)cc1 ZINC000052514745 822802297 /nfs/dbraw/zinc/80/22/97/822802297.db2.gz YBYASKRUYPUVFA-OAHLLOKOSA-N 1 2 395.594 4.148 20 0 GIADLO CCOc1ccc(-n2c(SCCCn3cc[nH+]c3)nnc2-c2ccco2)cc1 ZINC000185621289 822803291 /nfs/dbraw/zinc/80/32/91/822803291.db2.gz LORIHXTXIMMJEV-UHFFFAOYSA-N 1 2 395.488 4.305 20 0 GIADLO C[C@H](Sc1ccccc1Cl)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000052560341 822803740 /nfs/dbraw/zinc/80/37/40/822803740.db2.gz BAWBBISYBQQZGG-HNNXBMFYSA-N 1 2 385.920 4.382 20 0 GIADLO COC(=O)c1ccc(C[NH2+][C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)o1 ZINC000185628337 822804022 /nfs/dbraw/zinc/80/40/22/822804022.db2.gz BXQAMAVNNADPKL-HNNXBMFYSA-N 1 2 386.448 4.496 20 0 GIADLO Cc1ccc(C[NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)o1 ZINC000174574756 822806867 /nfs/dbraw/zinc/80/68/67/822806867.db2.gz KEPOJDNEVKHYNC-QFIPXVFZSA-N 1 2 383.513 4.488 20 0 GIADLO CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000052926684 822815826 /nfs/dbraw/zinc/81/58/26/822815826.db2.gz JIVAQQTZJAGUOC-UHFFFAOYSA-N 1 2 392.459 4.401 20 0 GIADLO O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000185769210 822819510 /nfs/dbraw/zinc/81/95/10/822819510.db2.gz WJFGXYOMHRLQRT-QHCPKHFHSA-N 1 2 383.451 4.003 20 0 GIADLO C[C@@H]([NH2+]Cc1cccc(Br)c1)c1nc(-c2cccc(F)c2)no1 ZINC000174666334 822820858 /nfs/dbraw/zinc/82/08/58/822820858.db2.gz NVPNEZAOSJSMPO-LLVKDONJSA-N 1 2 376.229 4.489 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc(-c2cncnc2)cc1F ZINC000185794480 822821827 /nfs/dbraw/zinc/82/18/27/822821827.db2.gz DZFKUBZQJRNYOW-UHFFFAOYSA-N 1 2 393.809 4.374 20 0 GIADLO Cc1coc2ccc(NC(=O)c3cccc(NC(=O)CCn4cc[nH+]c4)c3)cc12 ZINC000185809911 822823183 /nfs/dbraw/zinc/82/31/83/822823183.db2.gz LTQGPVAGOUEOMD-UHFFFAOYSA-N 1 2 388.427 4.219 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)Cc3coc(-c4ccccc4)n3)n2)CC1 ZINC000053175726 822824636 /nfs/dbraw/zinc/82/46/36/822824636.db2.gz HONBTRXBQBATAU-UHFFFAOYSA-N 1 2 396.516 4.211 20 0 GIADLO O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)NCCCn1cc[nH+]c1 ZINC000053274521 822828871 /nfs/dbraw/zinc/82/88/71/822828871.db2.gz DWHNHZRQGFPPQG-UHFFFAOYSA-N 1 2 390.462 4.310 20 0 GIADLO CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000174736225 822830334 /nfs/dbraw/zinc/83/03/34/822830334.db2.gz CHXMVRQAZNTQGU-FQEVSTJZSA-N 1 2 385.895 4.292 20 0 GIADLO CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000174736225 822830336 /nfs/dbraw/zinc/83/03/36/822830336.db2.gz CHXMVRQAZNTQGU-FQEVSTJZSA-N 1 2 385.895 4.292 20 0 GIADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000185941841 822835669 /nfs/dbraw/zinc/83/56/69/822835669.db2.gz HBAZNEHRDUZKJE-BZSNNMDCSA-N 1 2 383.492 4.211 20 0 GIADLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000185941841 822835675 /nfs/dbraw/zinc/83/56/75/822835675.db2.gz HBAZNEHRDUZKJE-BZSNNMDCSA-N 1 2 383.492 4.211 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1nc(C(F)(F)F)cs1 ZINC000185949820 822836331 /nfs/dbraw/zinc/83/63/31/822836331.db2.gz WIMAWKFQAXJUIE-LLVKDONJSA-N 1 2 377.819 4.495 20 0 GIADLO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000185964364 822838393 /nfs/dbraw/zinc/83/83/93/822838393.db2.gz JBYTUPURESBGEW-IUODEOHRSA-N 1 2 397.466 4.176 20 0 GIADLO O=C(NCc1cccc(OCc2ccccc2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000053574355 822841447 /nfs/dbraw/zinc/84/14/47/822841447.db2.gz OKARVYYLRYEEFI-UHFFFAOYSA-N 1 2 397.478 4.440 20 0 GIADLO COc1ccc([C@H](NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c2ccco2)cc1 ZINC000456981959 822844560 /nfs/dbraw/zinc/84/45/60/822844560.db2.gz AHBOXTPEUHJMGO-IERDGZPVSA-N 1 2 393.487 4.145 20 0 GIADLO COc1ccc([C@H](NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c2ccco2)cc1 ZINC000456981959 822844561 /nfs/dbraw/zinc/84/45/61/822844561.db2.gz AHBOXTPEUHJMGO-IERDGZPVSA-N 1 2 393.487 4.145 20 0 GIADLO CC[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000174845082 822845549 /nfs/dbraw/zinc/84/55/49/822845549.db2.gz IWWWHBNVRFQXBN-IUODEOHRSA-N 1 2 397.466 4.176 20 0 GIADLO CC[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000174845082 822845552 /nfs/dbraw/zinc/84/55/52/822845552.db2.gz IWWWHBNVRFQXBN-IUODEOHRSA-N 1 2 397.466 4.176 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)Cc1ccncc1Cl ZINC000174856530 822847058 /nfs/dbraw/zinc/84/70/58/822847058.db2.gz BFEWWTSBANAMPV-UHFFFAOYSA-N 1 2 384.911 4.423 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(F)c(OC)cc3C)c2C1 ZINC000186052327 822847525 /nfs/dbraw/zinc/84/75/25/822847525.db2.gz YSILVBOSUIMWQC-UHFFFAOYSA-N 1 2 393.462 4.321 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(F)c(OC)cc3C)c2C1 ZINC000186052327 822847528 /nfs/dbraw/zinc/84/75/28/822847528.db2.gz YSILVBOSUIMWQC-UHFFFAOYSA-N 1 2 393.462 4.321 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc(OC)c1OC ZINC000186055863 822847819 /nfs/dbraw/zinc/84/78/19/822847819.db2.gz BYQODKLTZVWAOV-OAHLLOKOSA-N 1 2 379.460 4.020 20 0 GIADLO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000174861830 822847832 /nfs/dbraw/zinc/84/78/32/822847832.db2.gz BMNHXKHOGHUPOT-OAQYLSRUSA-N 1 2 380.536 4.153 20 0 GIADLO C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000174861851 822848068 /nfs/dbraw/zinc/84/80/68/822848068.db2.gz VSACEDPIUFSMFA-OXJNMPFZSA-N 1 2 382.483 4.114 20 0 GIADLO C[C@@H]1CCN(C(=O)CCCc2cccc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000186096095 822851283 /nfs/dbraw/zinc/85/12/83/822851283.db2.gz RZSGZPXEFHMNTC-CRAIPNDOSA-N 1 2 379.426 4.334 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1ccc(Cl)s1 ZINC000174900444 822852677 /nfs/dbraw/zinc/85/26/77/822852677.db2.gz UGHNJQQHZJVCNU-UHFFFAOYSA-N 1 2 391.968 4.494 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(-c2cccs2)on1 ZINC000174902598 822853243 /nfs/dbraw/zinc/85/32/43/822853243.db2.gz YMWZRMLRCORVCP-UHFFFAOYSA-N 1 2 396.516 4.177 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000174906863 822853727 /nfs/dbraw/zinc/85/37/27/822853727.db2.gz RZLWHWBTBIHWRP-UHFFFAOYSA-N 1 2 394.494 4.010 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C)n(C(C)C)c1C ZINC000174907724 822854095 /nfs/dbraw/zinc/85/40/95/822854095.db2.gz ZVQUTGRWNDJDQZ-UHFFFAOYSA-N 1 2 382.552 4.460 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000174910352 822854423 /nfs/dbraw/zinc/85/44/23/822854423.db2.gz DGZQFAYPZHKCSO-UHFFFAOYSA-N 1 2 381.564 4.363 20 0 GIADLO C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cc(Br)cc(F)c1O ZINC000186138279 822854683 /nfs/dbraw/zinc/85/46/83/822854683.db2.gz QGUGGNZWPNGXIE-LLVKDONJSA-N 1 2 382.277 4.456 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000054004456 822856840 /nfs/dbraw/zinc/85/68/40/822856840.db2.gz PWEOJDSAXATHOZ-UHFFFAOYSA-N 1 2 383.923 4.332 20 0 GIADLO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000174927601 822857220 /nfs/dbraw/zinc/85/72/20/822857220.db2.gz PCUQBVGNUHXMPZ-OAHLLOKOSA-N 1 2 392.425 4.320 20 0 GIADLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000186205701 822860925 /nfs/dbraw/zinc/86/09/25/822860925.db2.gz ZBWKPJDYGCUAJR-HTAPYJJXSA-N 1 2 398.503 4.071 20 0 GIADLO Cc1ccc(C(=O)CC(C)(C)CC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000186215018 822861562 /nfs/dbraw/zinc/86/15/62/822861562.db2.gz DUXKQAVANMQPFR-UHFFFAOYSA-N 1 2 393.531 4.164 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000054139351 822863881 /nfs/dbraw/zinc/86/38/81/822863881.db2.gz VBRHEGPBSABNGR-UHFFFAOYSA-N 1 2 388.446 4.448 20 0 GIADLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(Cl)cc3)n2C)c1 ZINC000186241026 822863944 /nfs/dbraw/zinc/86/39/44/822863944.db2.gz BYFAWVHENUCCPS-IBGZPJMESA-N 1 2 382.895 4.481 20 0 GIADLO COc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(Cl)cc3)n2C)c1 ZINC000186241026 822863946 /nfs/dbraw/zinc/86/39/46/822863946.db2.gz BYFAWVHENUCCPS-IBGZPJMESA-N 1 2 382.895 4.481 20 0 GIADLO Cc1cc(NC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)c(C)c[nH+]1 ZINC000568960162 822865285 /nfs/dbraw/zinc/86/52/85/822865285.db2.gz CKZDKTYDRWNHMG-KSSFIOAISA-N 1 2 393.409 4.133 20 0 GIADLO Cc1nc(-c2ccccc2C)sc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000568980868 822867267 /nfs/dbraw/zinc/86/72/67/822867267.db2.gz DRNDJSRORCOZFX-NVXWUHKLSA-N 1 2 396.516 4.403 20 0 GIADLO Cc1nc(-c2ccccc2C)sc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000568980868 822867268 /nfs/dbraw/zinc/86/72/68/822867268.db2.gz DRNDJSRORCOZFX-NVXWUHKLSA-N 1 2 396.516 4.403 20 0 GIADLO O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000054313996 822875141 /nfs/dbraw/zinc/87/51/41/822875141.db2.gz IKMMTCUGFYCUAP-UHFFFAOYSA-N 1 2 395.890 4.004 20 0 GIADLO COCCn1c(=O)c2ccc(Cl)cc2nc1SCc1ccc(C)[nH+]c1C ZINC000186336290 822877931 /nfs/dbraw/zinc/87/79/31/822877931.db2.gz UQZJUTJVKXVTAR-UHFFFAOYSA-N 1 2 389.908 4.000 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cnc3ccccc3c2)C[C@@H](C)O1 ZINC000457467082 822877983 /nfs/dbraw/zinc/87/79/83/822877983.db2.gz UIFWTUDEQPKMMW-IAGOWNOFSA-N 1 2 375.472 4.096 20 0 GIADLO C[C@H](Cc1ccccc1F)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000054382585 822879899 /nfs/dbraw/zinc/87/98/99/822879899.db2.gz NVOKQVVDOXPZGK-CQSZACIVSA-N 1 2 376.501 4.021 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392397 822881475 /nfs/dbraw/zinc/88/14/75/822881475.db2.gz IPYFJJWMAFAPMD-INIZCTEOSA-N 1 2 393.531 4.155 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392397 822881479 /nfs/dbraw/zinc/88/14/79/822881479.db2.gz IPYFJJWMAFAPMD-INIZCTEOSA-N 1 2 393.531 4.155 20 0 GIADLO C[C@@H](Cc1ccccc1F)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000054433909 822885093 /nfs/dbraw/zinc/88/50/93/822885093.db2.gz OJOPXJDOADVHNC-OKZBNKHCSA-N 1 2 399.510 4.188 20 0 GIADLO C[C@@H](Cc1ccccc1F)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000054433909 822885099 /nfs/dbraw/zinc/88/50/99/822885099.db2.gz OJOPXJDOADVHNC-OKZBNKHCSA-N 1 2 399.510 4.188 20 0 GIADLO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2nc(CC(F)(F)F)no2)cc1 ZINC000569175551 822889073 /nfs/dbraw/zinc/88/90/73/822889073.db2.gz PFUBPQJFIVSKMH-QGZVFWFLSA-N 1 2 391.393 4.257 20 0 GIADLO Cc1cccc(CCSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000569239977 822895490 /nfs/dbraw/zinc/89/54/90/822895490.db2.gz DTPXJRPFCPZCBX-UHFFFAOYSA-N 1 2 393.560 4.291 20 0 GIADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000569276938 822900126 /nfs/dbraw/zinc/90/01/26/822900126.db2.gz BTQYIGYXGOCIEG-WKCHPHFGSA-N 1 2 387.487 4.269 20 0 GIADLO C[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1cc2ccccc2o1 ZINC000175195978 822901778 /nfs/dbraw/zinc/90/17/78/822901778.db2.gz DYOQUHMVGLKKHX-UHFFFAOYSA-N 1 2 377.469 4.287 20 0 GIADLO C[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1cc2ccccc2o1 ZINC000175195978 822901782 /nfs/dbraw/zinc/90/17/82/822901782.db2.gz DYOQUHMVGLKKHX-UHFFFAOYSA-N 1 2 377.469 4.287 20 0 GIADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N1CCC(CF)CC1 ZINC000457676374 822905314 /nfs/dbraw/zinc/90/53/14/822905314.db2.gz SEHLFDPFSNZFLG-KRWDZBQOSA-N 1 2 385.886 4.007 20 0 GIADLO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)c1cn[nH]c1C ZINC000186503652 822905833 /nfs/dbraw/zinc/90/58/33/822905833.db2.gz MNTOQDWVBXFSFX-DYVFJYSZSA-N 1 2 380.330 4.169 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000457687631 822906551 /nfs/dbraw/zinc/90/65/51/822906551.db2.gz AZIODGJTIGZGBL-LGFNAOKASA-N 1 2 378.385 4.037 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000457687631 822906554 /nfs/dbraw/zinc/90/65/54/822906554.db2.gz AZIODGJTIGZGBL-LGFNAOKASA-N 1 2 378.385 4.037 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](C)Cc2nc(-c3ccccc3Cl)cs2)cc1 ZINC000186519717 822907820 /nfs/dbraw/zinc/90/78/20/822907820.db2.gz XRSAWROQNCXUFW-UHFFFAOYSA-N 1 2 385.920 4.455 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3Cl)cs2)cc1 ZINC000186519717 822907825 /nfs/dbraw/zinc/90/78/25/822907825.db2.gz XRSAWROQNCXUFW-UHFFFAOYSA-N 1 2 385.920 4.455 20 0 GIADLO CC(C)(C)c1csc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000569381710 822913889 /nfs/dbraw/zinc/91/38/89/822913889.db2.gz RBBOFCHINZEILF-UHFFFAOYSA-N 1 2 375.542 4.361 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC1(Cc2cccc(Cl)c2)CC1 ZINC000457777768 822918273 /nfs/dbraw/zinc/91/82/73/822918273.db2.gz RIDHJMZVAJJJPP-UHFFFAOYSA-N 1 2 394.906 4.159 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000569415474 822919493 /nfs/dbraw/zinc/91/94/93/822919493.db2.gz MKUZEASVDUEGGC-QHCPKHFHSA-N 1 2 387.527 4.488 20 0 GIADLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1cccc(Cl)c1F ZINC000186597216 822920842 /nfs/dbraw/zinc/92/08/42/822920842.db2.gz OKGXZKFNGGXZHJ-CYBMUJFWSA-N 1 2 391.874 4.459 20 0 GIADLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1cccc(Cl)c1F ZINC000186597216 822920848 /nfs/dbraw/zinc/92/08/48/822920848.db2.gz OKGXZKFNGGXZHJ-CYBMUJFWSA-N 1 2 391.874 4.459 20 0 GIADLO Cc1cc(C(=O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(C)n1Cc1ccco1 ZINC000186606090 822922504 /nfs/dbraw/zinc/92/25/04/822922504.db2.gz JSRZZIMVHABQOQ-XMMPIXPASA-N 1 2 390.483 4.060 20 0 GIADLO Cc1cc(C(=O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(C)n1Cc1ccco1 ZINC000186606090 822922507 /nfs/dbraw/zinc/92/25/07/822922507.db2.gz JSRZZIMVHABQOQ-XMMPIXPASA-N 1 2 390.483 4.060 20 0 GIADLO C[C@@H]1CCc2c(sc3nc(C[N@@H+]4CCC=C(c5ccccn5)C4)nc(N)c23)C1 ZINC000569499383 822930112 /nfs/dbraw/zinc/93/01/12/822930112.db2.gz BKCGFOLQAUNOGQ-CQSZACIVSA-N 1 2 391.544 4.083 20 0 GIADLO C[C@@H]1CCc2c(sc3nc(C[N@H+]4CCC=C(c5ccccn5)C4)nc(N)c23)C1 ZINC000569499383 822930115 /nfs/dbraw/zinc/93/01/15/822930115.db2.gz BKCGFOLQAUNOGQ-CQSZACIVSA-N 1 2 391.544 4.083 20 0 GIADLO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ncc(Br)s1)CCO2 ZINC000186692000 822938305 /nfs/dbraw/zinc/93/83/05/822938305.db2.gz ONBXWSQYRCLBPF-MFKMUULPSA-N 1 2 383.311 4.479 20 0 GIADLO CC1CCN(C(=O)c2ccc(NCc3cc(-n4cc[nH+]c4)cs3)cc2)CC1 ZINC000569550463 822938904 /nfs/dbraw/zinc/93/89/04/822938904.db2.gz UEBAZXJDVABOIK-UHFFFAOYSA-N 1 2 380.517 4.418 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1(Cc3cccc(Cl)c3)CC1)C2 ZINC000569551078 822938966 /nfs/dbraw/zinc/93/89/66/822938966.db2.gz PTWDGSIVBVKQFO-INIZCTEOSA-N 1 2 385.939 4.431 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1(Cc3cccc(Cl)c3)CC1)CC2 ZINC000569551078 822938969 /nfs/dbraw/zinc/93/89/69/822938969.db2.gz PTWDGSIVBVKQFO-INIZCTEOSA-N 1 2 385.939 4.431 20 0 GIADLO O=C(NCCn1cc[nH+]c1)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000055122088 822939776 /nfs/dbraw/zinc/93/97/76/822939776.db2.gz SKGXPBKAPGUKOE-UHFFFAOYSA-N 1 2 395.459 4.246 20 0 GIADLO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1nnn(-c3ccc(F)cc3)c1C)CCO2 ZINC000186700344 822940370 /nfs/dbraw/zinc/94/03/70/822940370.db2.gz SHUPYGINTLTLJX-JLTOFOAXSA-N 1 2 396.466 4.288 20 0 GIADLO Nc1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000569592164 822942949 /nfs/dbraw/zinc/94/29/49/822942949.db2.gz UKXYSXXZJILZDV-OAQYLSRUSA-N 1 2 387.487 4.278 20 0 GIADLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1csc(CC(=O)Nc3ccccc3)n1)CC2 ZINC000186729286 822946213 /nfs/dbraw/zinc/94/62/13/822946213.db2.gz MQWFXTPQKMZLMF-UHFFFAOYSA-N 1 2 391.540 4.499 20 0 GIADLO Cc1cc(C)c2c(c1)C[N@H+](Cc1csc(CC(=O)Nc3ccccc3)n1)CC2 ZINC000186729286 822946217 /nfs/dbraw/zinc/94/62/17/822946217.db2.gz MQWFXTPQKMZLMF-UHFFFAOYSA-N 1 2 391.540 4.499 20 0 GIADLO FC(F)(F)c1nnc(N2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)s1 ZINC000186751864 822949717 /nfs/dbraw/zinc/94/97/17/822949717.db2.gz BUCLUTSICXUWHS-ZDUSSCGKSA-N 1 2 388.846 4.020 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1Cl ZINC000175381995 822952953 /nfs/dbraw/zinc/95/29/53/822952953.db2.gz XYLCQMNDXAGBDS-SXBQZSJRSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1Cl ZINC000175381995 822952954 /nfs/dbraw/zinc/95/29/54/822952954.db2.gz XYLCQMNDXAGBDS-SXBQZSJRSA-N 1 2 378.925 4.017 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000175393525 822957383 /nfs/dbraw/zinc/95/73/83/822957383.db2.gz GDFNIHNZAVXZQS-PFUSGODGSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000175393525 822957388 /nfs/dbraw/zinc/95/73/88/822957388.db2.gz GDFNIHNZAVXZQS-PFUSGODGSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000175420855 822964590 /nfs/dbraw/zinc/96/45/90/822964590.db2.gz XQDMDPPISALNCE-CEXHIMGSSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000175420855 822964593 /nfs/dbraw/zinc/96/45/93/822964593.db2.gz XQDMDPPISALNCE-CEXHIMGSSA-N 1 2 398.450 4.074 20 0 GIADLO CCOc1cc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc(Cl)c1O ZINC000186853420 822968120 /nfs/dbraw/zinc/96/81/20/822968120.db2.gz NEQAIVNHUVOVCO-CYBMUJFWSA-N 1 2 399.878 4.429 20 0 GIADLO COc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc(OC)c1Cl ZINC000458229220 822971387 /nfs/dbraw/zinc/97/13/87/822971387.db2.gz WKVQWDDFZUCQRC-KRWDZBQOSA-N 1 2 383.275 4.252 20 0 GIADLO CSc1cc(Br)ccc1-c1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000569825904 822973048 /nfs/dbraw/zinc/97/30/48/822973048.db2.gz XSHWWFJEGAHXSC-JTQLQIEISA-N 1 2 379.283 4.221 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(C)cc1OC ZINC000175488209 822981316 /nfs/dbraw/zinc/98/13/16/822981316.db2.gz MSIOHKOFGQQTBS-UHFFFAOYSA-N 1 2 382.508 4.169 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000186931033 822982336 /nfs/dbraw/zinc/98/23/36/822982336.db2.gz HPWQCUDBAIABFI-HSZRJFAPSA-N 1 2 378.447 4.470 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000186931033 822982338 /nfs/dbraw/zinc/98/23/38/822982338.db2.gz HPWQCUDBAIABFI-HSZRJFAPSA-N 1 2 378.447 4.470 20 0 GIADLO COc1cccc([C@@H]2C[N@H+](Cc3cc(-c4ccncc4)ccc3OC)CCO2)c1 ZINC000186934611 822983175 /nfs/dbraw/zinc/98/31/75/822983175.db2.gz RZZHDSYMEGGXSL-DEOSSOPVSA-N 1 2 390.483 4.339 20 0 GIADLO COc1cccc([C@@H]2C[N@@H+](Cc3cc(-c4ccncc4)ccc3OC)CCO2)c1 ZINC000186934611 822983177 /nfs/dbraw/zinc/98/31/77/822983177.db2.gz RZZHDSYMEGGXSL-DEOSSOPVSA-N 1 2 390.483 4.339 20 0 GIADLO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000186941448 822983957 /nfs/dbraw/zinc/98/39/57/822983957.db2.gz QUMQVRWEECMCMW-MNOVXSKESA-N 1 2 383.261 4.412 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000569973256 822991785 /nfs/dbraw/zinc/99/17/85/822991785.db2.gz BRLPOTPATDACJB-NRFANRHFSA-N 1 2 379.891 4.491 20 0 GIADLO C[C@@H](CC(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1)n1cc[nH+]c1 ZINC000569977148 822992297 /nfs/dbraw/zinc/99/22/97/822992297.db2.gz FWECUDKGTRDBEY-YVEFUNNKSA-N 1 2 394.288 4.393 20 0 GIADLO C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000175561457 822997786 /nfs/dbraw/zinc/99/77/86/822997786.db2.gz CPXHMDVDJFZFLV-HTAPYJJXSA-N 1 2 392.478 4.363 20 0 GIADLO Clc1cccc(-c2noc(CC[N@@H+]3CCSC[C@@H]3c3nccs3)n2)c1 ZINC000187027931 823000373 /nfs/dbraw/zinc/00/03/73/823000373.db2.gz RPTLCVBOINODTG-CQSZACIVSA-N 1 2 392.937 4.179 20 0 GIADLO Clc1cccc(-c2noc(CC[N@H+]3CCSC[C@@H]3c3nccs3)n2)c1 ZINC000187027931 823000375 /nfs/dbraw/zinc/00/03/75/823000375.db2.gz RPTLCVBOINODTG-CQSZACIVSA-N 1 2 392.937 4.179 20 0 GIADLO Brc1ccc(-c2noc(C[NH+]3CCC(OC4CCC4)CC3)n2)s1 ZINC000570068173 823002796 /nfs/dbraw/zinc/00/27/96/823002796.db2.gz VSTOFWQILGTJGP-UHFFFAOYSA-N 1 2 398.326 4.094 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](CCc1nccs1)C(C)C ZINC000187061330 823005317 /nfs/dbraw/zinc/00/53/17/823005317.db2.gz XLHKSLIFWWLFKT-UHFFFAOYSA-N 1 2 386.970 4.043 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](CCc1nccs1)C(C)C ZINC000187061330 823005321 /nfs/dbraw/zinc/00/53/21/823005321.db2.gz XLHKSLIFWWLFKT-UHFFFAOYSA-N 1 2 386.970 4.043 20 0 GIADLO COc1cc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)ccc1F ZINC000187087801 823008973 /nfs/dbraw/zinc/00/89/73/823008973.db2.gz ANRPTAYJRJQGIX-QUCCMNQESA-N 1 2 380.423 4.081 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C(F)(F)F)c1F ZINC000175625669 823009002 /nfs/dbraw/zinc/00/90/02/823009002.db2.gz JHTRLMFQNPFPEJ-UHFFFAOYSA-N 1 2 377.341 4.019 20 0 GIADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175657029 823014139 /nfs/dbraw/zinc/01/41/39/823014139.db2.gz IBFFGROACRCOQU-MRXNPFEDSA-N 1 2 377.513 4.192 20 0 GIADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175657029 823014143 /nfs/dbraw/zinc/01/41/43/823014143.db2.gz IBFFGROACRCOQU-MRXNPFEDSA-N 1 2 377.513 4.192 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)C[C@@H]2CCCOC2)cs1)c1ccc(Cl)cc1 ZINC000175658928 823014497 /nfs/dbraw/zinc/01/44/97/823014497.db2.gz DKUDJBPEYGNHNI-HNNXBMFYSA-N 1 2 393.940 4.340 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)C[C@@H]2CCCOC2)cs1)c1ccc(Cl)cc1 ZINC000175658928 823014500 /nfs/dbraw/zinc/01/45/00/823014500.db2.gz DKUDJBPEYGNHNI-HNNXBMFYSA-N 1 2 393.940 4.340 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(Cc2cccc3cccnc32)no1 ZINC000570317257 823025067 /nfs/dbraw/zinc/02/50/67/823025067.db2.gz VEKZAZCFZBMEKP-UHFFFAOYSA-N 1 2 391.381 4.193 20 0 GIADLO CS[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000570366675 823029839 /nfs/dbraw/zinc/02/98/39/823029839.db2.gz DATJSFHNVYKTHA-HXUWFJFHSA-N 1 2 388.964 4.479 20 0 GIADLO CS[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000570366675 823029843 /nfs/dbraw/zinc/02/98/43/823029843.db2.gz DATJSFHNVYKTHA-HXUWFJFHSA-N 1 2 388.964 4.479 20 0 GIADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cs1 ZINC000175753385 823032204 /nfs/dbraw/zinc/03/22/04/823032204.db2.gz XYJQVNYRXCQXLF-NSHDSACASA-N 1 2 387.427 4.265 20 0 GIADLO Cc1cccc2[nH]c(CCC(=O)Nc3nc(C[N@H+]4CCC[C@H](C)C4)cs3)nc21 ZINC000175759791 823033252 /nfs/dbraw/zinc/03/32/52/823033252.db2.gz GTBPSVKTGRLNSJ-AWEZNQCLSA-N 1 2 397.548 4.131 20 0 GIADLO Cc1cccc2[nH]c(CCC(=O)Nc3nc(C[N@@H+]4CCC[C@H](C)C4)cs3)nc21 ZINC000175759791 823033257 /nfs/dbraw/zinc/03/32/57/823033257.db2.gz GTBPSVKTGRLNSJ-AWEZNQCLSA-N 1 2 397.548 4.131 20 0 GIADLO Cc1nc(CCCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cs1 ZINC000175759917 823033387 /nfs/dbraw/zinc/03/33/87/823033387.db2.gz RCPGLVABFGYXPW-UHFFFAOYSA-N 1 2 378.567 4.101 20 0 GIADLO Cc1nc(CCCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cs1 ZINC000175759862 823033431 /nfs/dbraw/zinc/03/34/31/823033431.db2.gz OJLUCLGOYCLFHQ-CYBMUJFWSA-N 1 2 378.567 4.101 20 0 GIADLO Cc1nc(CCCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cs1 ZINC000175759862 823033436 /nfs/dbraw/zinc/03/34/36/823033436.db2.gz OJLUCLGOYCLFHQ-CYBMUJFWSA-N 1 2 378.567 4.101 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N1CCC(c2cccc3ccccc32)CC1 ZINC000060558404 823542071 /nfs/dbraw/zinc/54/20/71/823542071.db2.gz JAJBQYDMYGKWBN-UHFFFAOYSA-N 1 2 376.504 4.406 20 0 GIADLO CCSc1cc(Cl)ccc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123824311 823543336 /nfs/dbraw/zinc/54/33/36/823543336.db2.gz ALEJRLSPGPDYSW-CQSZACIVSA-N 1 2 377.941 4.280 20 0 GIADLO Clc1ccccc1-c1ccc(CN2CC[NH+](CCn3cccn3)CC2)s1 ZINC000060569403 823543448 /nfs/dbraw/zinc/54/34/48/823543448.db2.gz FPGYXGGFKCKTPG-UHFFFAOYSA-N 1 2 386.952 4.083 20 0 GIADLO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1OC(F)F ZINC000060629121 823549201 /nfs/dbraw/zinc/54/92/01/823549201.db2.gz ZIAKYCQNTQIPGA-SFHVURJKSA-N 1 2 385.414 4.414 20 0 GIADLO CCC[N@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000123893764 823549651 /nfs/dbraw/zinc/54/96/51/823549651.db2.gz KCCMEOWMBMDCOW-INIZCTEOSA-N 1 2 395.471 4.156 20 0 GIADLO CCC[N@@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000123893764 823549653 /nfs/dbraw/zinc/54/96/53/823549653.db2.gz KCCMEOWMBMDCOW-INIZCTEOSA-N 1 2 395.471 4.156 20 0 GIADLO O=C(CC1CC[NH+](Cc2cccc(Br)c2Cl)CC1)N1CCCC1 ZINC000411171001 823553954 /nfs/dbraw/zinc/55/39/54/823553954.db2.gz YJIQMDUFGICLFA-UHFFFAOYSA-N 1 2 399.760 4.327 20 0 GIADLO CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411198068 823556501 /nfs/dbraw/zinc/55/65/01/823556501.db2.gz DNKXBBKXXMEMJC-UHFFFAOYSA-N 1 2 391.874 4.177 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000411208127 823557580 /nfs/dbraw/zinc/55/75/80/823557580.db2.gz HLYXPQIFBGWONN-FQEVSTJZSA-N 1 2 390.487 4.101 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000411261217 823560962 /nfs/dbraw/zinc/56/09/62/823560962.db2.gz PKKHZOWFRKIXLO-WOVYWWTOSA-N 1 2 385.895 4.112 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000124039062 823562015 /nfs/dbraw/zinc/56/20/15/823562015.db2.gz VJAMNOVJMYLDNB-LHSJRXKWSA-N 1 2 378.451 4.171 20 0 GIADLO C[C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000124055964 823563739 /nfs/dbraw/zinc/56/37/39/823563739.db2.gz OMORTDYKVOSHPM-YOEHRIQHSA-N 1 2 396.318 4.459 20 0 GIADLO Cc1cccnc1[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)C ZINC000124058314 823564163 /nfs/dbraw/zinc/56/41/63/823564163.db2.gz JVZLBTVTZUHOBO-MJGOQNOKSA-N 1 2 386.565 4.237 20 0 GIADLO CC(C)(CC(F)F)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000411404707 823570786 /nfs/dbraw/zinc/57/07/86/823570786.db2.gz YVSXQIKQIHONAZ-CQSZACIVSA-N 1 2 376.850 4.414 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(OC3CCCCC3)cc2)c(C)[nH+]1 ZINC000411411288 823571197 /nfs/dbraw/zinc/57/11/97/823571197.db2.gz UQSZEPVCRGEYIC-UHFFFAOYSA-N 1 2 381.476 4.296 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c(C)[nH+]1 ZINC000411419584 823572140 /nfs/dbraw/zinc/57/21/40/823572140.db2.gz SZPZBJOJYVKRET-UHFFFAOYSA-N 1 2 391.418 4.040 20 0 GIADLO CCC(CC)[C@H](C(=O)Nc1cccc(-c2ccccc2OC)c1)[NH+]1CCOCC1 ZINC000461083383 823572811 /nfs/dbraw/zinc/57/28/11/823572811.db2.gz FRJRADMJIYQISX-HSZRJFAPSA-N 1 2 396.531 4.438 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000190432003 823572837 /nfs/dbraw/zinc/57/28/37/823572837.db2.gz XLTPGSGLMDDCKZ-UHFFFAOYSA-N 1 2 397.548 4.191 20 0 GIADLO CCOC(=O)[C@@H]1CC[C@@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@@H]1C ZINC000461089527 823574821 /nfs/dbraw/zinc/57/48/21/823574821.db2.gz XGUATKWRFUCSOM-QXAKKESOSA-N 1 2 379.504 4.382 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2nc(N)c3ccccc3n2)ccc1OCCC(C)C ZINC000411447995 823575295 /nfs/dbraw/zinc/57/52/95/823575295.db2.gz DMSSIADQCDHZDU-INIZCTEOSA-N 1 2 394.519 4.327 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC000124196356 823576545 /nfs/dbraw/zinc/57/65/45/823576545.db2.gz YQBUEBYDJSHCMN-OKILXGFUSA-N 1 2 376.859 4.341 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC000124196356 823576547 /nfs/dbraw/zinc/57/65/47/823576547.db2.gz YQBUEBYDJSHCMN-OKILXGFUSA-N 1 2 376.859 4.341 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCc3c(F)cccc3C2)C[C@H](C)O1 ZINC000124228205 823579220 /nfs/dbraw/zinc/57/92/20/823579220.db2.gz AVMQKGSMBHQGQO-CALCHBBNSA-N 1 2 397.494 4.025 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCc3c(F)cccc3C2)C[C@H](C)O1 ZINC000124228205 823579225 /nfs/dbraw/zinc/57/92/25/823579225.db2.gz AVMQKGSMBHQGQO-CALCHBBNSA-N 1 2 397.494 4.025 20 0 GIADLO Cc1ccccc1NC(=O)Cc1nc(C[NH2+][C@@H](c2cccnc2)C2CC2)cs1 ZINC000411498304 823581471 /nfs/dbraw/zinc/58/14/71/823581471.db2.gz AVTVIQSPWRQJRS-JOCHJYFZSA-N 1 2 392.528 4.269 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190504056 823581684 /nfs/dbraw/zinc/58/16/84/823581684.db2.gz OYSZMWDVJYSMDV-AWEZNQCLSA-N 1 2 391.874 4.053 20 0 GIADLO CC[C@@H]([NH2+]Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)c1ccc(Cl)s1 ZINC000411516571 823583395 /nfs/dbraw/zinc/58/33/95/823583395.db2.gz YCWCUJDYMCOOGU-GFCCVEGCSA-N 1 2 391.880 4.078 20 0 GIADLO Cc1ccc(C(C)(C)[NH2+]Cc2csc(CC(=O)Nc3ccccc3C)n2)cn1 ZINC000411522364 823584523 /nfs/dbraw/zinc/58/45/23/823584523.db2.gz ALTQJQKDFFDLJS-UHFFFAOYSA-N 1 2 394.544 4.361 20 0 GIADLO C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)c1nc(C2CCCCC2)no1 ZINC000411529079 823585085 /nfs/dbraw/zinc/58/50/85/823585085.db2.gz GMNQDWHHXCELOJ-ZDUSSCGKSA-N 1 2 376.888 4.450 20 0 GIADLO CC(C)OC(=O)[C@@H](C)C[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000124311208 823586294 /nfs/dbraw/zinc/58/62/94/823586294.db2.gz HCGBIQJNMUZQGV-LPHOPBHVSA-N 1 2 379.460 4.003 20 0 GIADLO Cc1nc(CC(C)C)c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)s1 ZINC000124397626 823593307 /nfs/dbraw/zinc/59/33/07/823593307.db2.gz DAOIBEWFCWBQGZ-UHFFFAOYSA-N 1 2 378.567 4.345 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C(F)(F)F)C(C)(C)C3)cn2c1 ZINC000190727433 823602577 /nfs/dbraw/zinc/60/25/77/823602577.db2.gz JFROULMHMGJUDB-HNNXBMFYSA-N 1 2 399.482 4.313 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000124516334 823602720 /nfs/dbraw/zinc/60/27/20/823602720.db2.gz GDHJWBYXWBZEAJ-BEFAXECRSA-N 1 2 396.878 4.447 20 0 GIADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000411757408 823602794 /nfs/dbraw/zinc/60/27/94/823602794.db2.gz MABVQZMEXHHOGY-OXQOHEQNSA-N 1 2 377.937 4.186 20 0 GIADLO CS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000411757408 823602795 /nfs/dbraw/zinc/60/27/95/823602795.db2.gz MABVQZMEXHHOGY-OXQOHEQNSA-N 1 2 377.937 4.186 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC000411809494 823606890 /nfs/dbraw/zinc/60/68/90/823606890.db2.gz UKGVPDZXVKZMBX-SJLPKXTDSA-N 1 2 385.895 4.051 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)c(C)[nH+]1 ZINC000411822078 823608595 /nfs/dbraw/zinc/60/85/95/823608595.db2.gz RUZOZVAYCDFZGY-JSNMRZPZSA-N 1 2 379.504 4.034 20 0 GIADLO Brc1ccccc1-c1noc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000190789098 823609148 /nfs/dbraw/zinc/60/91/48/823609148.db2.gz JHTJKTQBRXJLJM-MRXNPFEDSA-N 1 2 385.265 4.231 20 0 GIADLO Brc1ccccc1-c1noc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000190789098 823609150 /nfs/dbraw/zinc/60/91/50/823609150.db2.gz JHTJKTQBRXJLJM-MRXNPFEDSA-N 1 2 385.265 4.231 20 0 GIADLO C[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000411879978 823612355 /nfs/dbraw/zinc/61/23/55/823612355.db2.gz LYLSHNFCJNHYLZ-NHYWBVRUSA-N 1 2 384.332 4.464 20 0 GIADLO CC[N@H+](Cc1cccs1)Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000061785486 823613836 /nfs/dbraw/zinc/61/38/36/823613836.db2.gz YDMWLKOUCOZNJG-UHFFFAOYSA-N 1 2 395.431 4.430 20 0 GIADLO CC[N@@H+](Cc1cccs1)Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000061785486 823613839 /nfs/dbraw/zinc/61/38/39/823613839.db2.gz YDMWLKOUCOZNJG-UHFFFAOYSA-N 1 2 395.431 4.430 20 0 GIADLO CCc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(Br)s2)cc1 ZINC000061800802 823615529 /nfs/dbraw/zinc/61/55/29/823615529.db2.gz XOHDIQLZHYWLIK-UHFFFAOYSA-N 1 2 395.366 4.163 20 0 GIADLO CCc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(Br)s2)cc1 ZINC000061800802 823615531 /nfs/dbraw/zinc/61/55/31/823615531.db2.gz XOHDIQLZHYWLIK-UHFFFAOYSA-N 1 2 395.366 4.163 20 0 GIADLO COc1ccc(OCc2nc(C[N@@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cs2)cc1 ZINC000411952244 823616152 /nfs/dbraw/zinc/61/61/52/823616152.db2.gz SISSQVWZAZFXQO-GHTZIAJQSA-N 1 2 396.512 4.039 20 0 GIADLO COc1ccc(OCc2nc(C[N@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cs2)cc1 ZINC000411952244 823616154 /nfs/dbraw/zinc/61/61/54/823616154.db2.gz SISSQVWZAZFXQO-GHTZIAJQSA-N 1 2 396.512 4.039 20 0 GIADLO O=C1C[C@]2(CC[N@@H+](Cc3ccc(Br)s3)C2)Oc2ccccc21 ZINC000411987421 823618090 /nfs/dbraw/zinc/61/80/90/823618090.db2.gz PPVRLBFUGKCRLX-KRWDZBQOSA-N 1 2 378.291 4.121 20 0 GIADLO O=C1C[C@]2(CC[N@H+](Cc3ccc(Br)s3)C2)Oc2ccccc21 ZINC000411987421 823618093 /nfs/dbraw/zinc/61/80/93/823618093.db2.gz PPVRLBFUGKCRLX-KRWDZBQOSA-N 1 2 378.291 4.121 20 0 GIADLO O=C1C[C@]2(CC[N@@H+](Cc3sccc3Br)C2)Oc2ccccc21 ZINC000411993341 823618920 /nfs/dbraw/zinc/61/89/20/823618920.db2.gz WUGGXJMUOLOBQP-KRWDZBQOSA-N 1 2 378.291 4.121 20 0 GIADLO O=C1C[C@]2(CC[N@H+](Cc3sccc3Br)C2)Oc2ccccc21 ZINC000411993341 823618922 /nfs/dbraw/zinc/61/89/22/823618922.db2.gz WUGGXJMUOLOBQP-KRWDZBQOSA-N 1 2 378.291 4.121 20 0 GIADLO O=C(C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000411995584 823619362 /nfs/dbraw/zinc/61/93/62/823619362.db2.gz DNYDKPMVNSGQOM-FQEVSTJZSA-N 1 2 388.870 4.271 20 0 GIADLO O=C(C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000411995584 823619363 /nfs/dbraw/zinc/61/93/63/823619363.db2.gz DNYDKPMVNSGQOM-FQEVSTJZSA-N 1 2 388.870 4.271 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411997334 823619579 /nfs/dbraw/zinc/61/95/79/823619579.db2.gz IGCQXGKCFDPIII-HTAPYJJXSA-N 1 2 392.499 4.070 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411997334 823619582 /nfs/dbraw/zinc/61/95/82/823619582.db2.gz IGCQXGKCFDPIII-HTAPYJJXSA-N 1 2 392.499 4.070 20 0 GIADLO O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000124713115 823619893 /nfs/dbraw/zinc/61/98/93/823619893.db2.gz QPFMLRCNDIJMCI-IAGOWNOFSA-N 1 2 394.462 4.215 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(F)c1 ZINC000412002958 823620861 /nfs/dbraw/zinc/62/08/61/823620861.db2.gz VPTJQGIRSGGPHT-UWJYYQICSA-N 1 2 382.479 4.315 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(F)c1 ZINC000412002958 823620862 /nfs/dbraw/zinc/62/08/62/823620862.db2.gz VPTJQGIRSGGPHT-UWJYYQICSA-N 1 2 382.479 4.315 20 0 GIADLO Clc1ccc(-n2cc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)nn2)cc1 ZINC000412003659 823621112 /nfs/dbraw/zinc/62/11/12/823621112.db2.gz XTMKOUWHMDBYQN-OAQYLSRUSA-N 1 2 394.906 4.274 20 0 GIADLO Clc1ccc(-n2cc(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)nn2)cc1 ZINC000412003659 823621113 /nfs/dbraw/zinc/62/11/13/823621113.db2.gz XTMKOUWHMDBYQN-OAQYLSRUSA-N 1 2 394.906 4.274 20 0 GIADLO O=C(Cc1cccc(C2CC2)c1)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000412003886 823621125 /nfs/dbraw/zinc/62/11/25/823621125.db2.gz QSEDITFOZSUXBT-UHFFFAOYSA-N 1 2 399.498 4.382 20 0 GIADLO C[C@H](c1cccc(NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)c1)[NH+]1CCOCC1 ZINC000412021827 823623252 /nfs/dbraw/zinc/62/32/52/823623252.db2.gz POOBPNKGNWHHHZ-UTKZUKDTSA-N 1 2 394.515 4.363 20 0 GIADLO C[C@@H](C(=O)[C@H](C#N)c1cnc2ccccc2n1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000190912975 823623517 /nfs/dbraw/zinc/62/35/17/823623517.db2.gz UUFYCODQBBJAGQ-GHTZIAJQSA-N 1 2 398.510 4.149 20 0 GIADLO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000412060151 823625125 /nfs/dbraw/zinc/62/51/25/823625125.db2.gz DZZGZLIZILKPLA-AWEZNQCLSA-N 1 2 377.510 4.132 20 0 GIADLO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000412060151 823625127 /nfs/dbraw/zinc/62/51/27/823625127.db2.gz DZZGZLIZILKPLA-AWEZNQCLSA-N 1 2 377.510 4.132 20 0 GIADLO Cc1sc2[nH]c(C[N@H+]3CCC[C@H](CO)[C@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000412062511 823625367 /nfs/dbraw/zinc/62/53/67/823625367.db2.gz ARWRDKGWYPLLBE-RHSMWYFYSA-N 1 2 397.544 4.274 20 0 GIADLO Cc1sc2[nH]c(C[N@@H+]3CCC[C@H](CO)[C@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000412062511 823625368 /nfs/dbraw/zinc/62/53/68/823625368.db2.gz ARWRDKGWYPLLBE-RHSMWYFYSA-N 1 2 397.544 4.274 20 0 GIADLO C[C@](Cc1ccccc1)([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccccc1 ZINC000412088507 823626260 /nfs/dbraw/zinc/62/62/60/823626260.db2.gz DBTRJSPNTCIYPM-LJQANCHMSA-N 1 2 375.394 4.422 20 0 GIADLO CC1(C)C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)CC2(CCCC2)O1 ZINC000190952254 823629441 /nfs/dbraw/zinc/62/94/41/823629441.db2.gz UDQORLJEZFRFLK-UHFFFAOYSA-N 1 2 396.285 4.016 20 0 GIADLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)CC2(CCCC2)O1 ZINC000190952254 823629442 /nfs/dbraw/zinc/62/94/42/823629442.db2.gz UDQORLJEZFRFLK-UHFFFAOYSA-N 1 2 396.285 4.016 20 0 GIADLO CC(C)(C)n1cc(C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)nn1 ZINC000190951601 823629498 /nfs/dbraw/zinc/62/94/98/823629498.db2.gz WWVAJZFWJXVXIK-FQEVSTJZSA-N 1 2 392.482 4.053 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000124900001 823635067 /nfs/dbraw/zinc/63/50/67/823635067.db2.gz NJPOBSVZOSBMEB-UHFFFAOYSA-N 1 2 393.422 4.384 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1-c1nc2ccccc2s1)[NH+]1CCSCC1 ZINC000124901810 823635300 /nfs/dbraw/zinc/63/53/00/823635300.db2.gz RQLYYXKMEBSMBR-CQSZACIVSA-N 1 2 383.542 4.339 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000412235171 823638271 /nfs/dbraw/zinc/63/82/71/823638271.db2.gz RMFBNAQVBYILNP-GDBMZVCRSA-N 1 2 376.850 4.412 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000412235171 823638273 /nfs/dbraw/zinc/63/82/73/823638273.db2.gz RMFBNAQVBYILNP-GDBMZVCRSA-N 1 2 376.850 4.412 20 0 GIADLO CC1(C)C[C@@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc2O1 ZINC000412251010 823639976 /nfs/dbraw/zinc/63/99/76/823639976.db2.gz VGLCREBDKHRAEC-HXUWFJFHSA-N 1 2 381.520 4.247 20 0 GIADLO O=C(c1cc(C2CCCCC2)[nH]n1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461450840 823640322 /nfs/dbraw/zinc/64/03/22/823640322.db2.gz RNBBSTCLTLDRCD-LEWJYISDSA-N 1 2 392.547 4.052 20 0 GIADLO O=C(c1cc(C2CCCCC2)[nH]n1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461450840 823640327 /nfs/dbraw/zinc/64/03/27/823640327.db2.gz RNBBSTCLTLDRCD-LEWJYISDSA-N 1 2 392.547 4.052 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N(Cc1c(F)cccc1F)C1CC1 ZINC000191092038 823647840 /nfs/dbraw/zinc/64/78/40/823647840.db2.gz LAZVCAONSUUELG-UHFFFAOYSA-N 1 2 396.441 4.084 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C1CCC(F)(F)CC1 ZINC000125054752 823648602 /nfs/dbraw/zinc/64/86/02/823648602.db2.gz METYLLJZBWCBLI-UHFFFAOYSA-N 1 2 391.487 4.465 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C1CCC(F)(F)CC1 ZINC000125054752 823648604 /nfs/dbraw/zinc/64/86/04/823648604.db2.gz METYLLJZBWCBLI-UHFFFAOYSA-N 1 2 391.487 4.465 20 0 GIADLO C[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000191101502 823649252 /nfs/dbraw/zinc/64/92/52/823649252.db2.gz WLWONQDUZUOGPB-CQSZACIVSA-N 1 2 380.414 4.052 20 0 GIADLO O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000412372289 823650505 /nfs/dbraw/zinc/65/05/05/823650505.db2.gz SVQNBIQVYCSSNI-SFHVURJKSA-N 1 2 395.890 4.431 20 0 GIADLO FC(F)(F)c1ccn(C2CC[NH+](Cc3ccc(Br)o3)CC2)n1 ZINC000191114060 823650520 /nfs/dbraw/zinc/65/05/20/823650520.db2.gz HNKUKNSXEYHGEQ-UHFFFAOYSA-N 1 2 378.192 4.095 20 0 GIADLO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000412372287 823650605 /nfs/dbraw/zinc/65/06/05/823650605.db2.gz SVQNBIQVYCSSNI-GOSISDBHSA-N 1 2 395.890 4.431 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000191149434 823653860 /nfs/dbraw/zinc/65/38/60/823653860.db2.gz IZMYBYYUMWLFAL-HZPDHXFCSA-N 1 2 387.549 4.178 20 0 GIADLO C[C@@H]([NH2+]C1(CNCc2c(O)ccc(Cl)c2F)CCOCC1)c1ccccc1 ZINC000191153597 823654212 /nfs/dbraw/zinc/65/42/12/823654212.db2.gz NVZVSORYZSZKIK-OAHLLOKOSA-N 1 2 392.902 4.174 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)cs1)c1ccc(C)cc1C ZINC000191179825 823656920 /nfs/dbraw/zinc/65/69/20/823656920.db2.gz XXTITPUBOSAHBB-HOTGVXAUSA-N 1 2 387.549 4.178 20 0 GIADLO CC(C)(C)O[C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000125202156 823658926 /nfs/dbraw/zinc/65/89/26/823658926.db2.gz SCMJPWCVVKJJMR-NRFANRHFSA-N 1 2 382.504 4.014 20 0 GIADLO CC(C)(C)c1nc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cs1 ZINC000063301207 823661158 /nfs/dbraw/zinc/66/11/58/823661158.db2.gz BLRWYBXILWQRFY-UHFFFAOYSA-N 1 2 391.606 4.073 20 0 GIADLO O=C(C[N@@H+](CCC(F)(F)F)Cc1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000191236590 823662027 /nfs/dbraw/zinc/66/20/27/823662027.db2.gz KLEPAIVWGXHVSQ-SFHVURJKSA-N 1 2 392.421 4.081 20 0 GIADLO O=C(C[N@H+](CCC(F)(F)F)Cc1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000191236590 823662029 /nfs/dbraw/zinc/66/20/29/823662029.db2.gz KLEPAIVWGXHVSQ-SFHVURJKSA-N 1 2 392.421 4.081 20 0 GIADLO C[C@@H](c1nnc(SC[C@@H](O)CC2CCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191240308 823662361 /nfs/dbraw/zinc/66/23/61/823662361.db2.gz LOSMABIRZDCGSI-KSSFIOAISA-N 1 2 392.544 4.062 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(OCC4CC4)cc3)n2)c1 ZINC000191243675 823662715 /nfs/dbraw/zinc/66/27/15/823662715.db2.gz PPGVTOCDSQIUPZ-OAHLLOKOSA-N 1 2 379.460 4.385 20 0 GIADLO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(Br)c(Cl)s3)C2)n1 ZINC000191248685 823663294 /nfs/dbraw/zinc/66/32/94/823663294.db2.gz PUESPAGWNXRDHT-SECBINFHSA-N 1 2 376.707 4.235 20 0 GIADLO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)n1 ZINC000191248685 823663299 /nfs/dbraw/zinc/66/32/99/823663299.db2.gz PUESPAGWNXRDHT-SECBINFHSA-N 1 2 376.707 4.235 20 0 GIADLO C[C@H]1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000125318591 823667591 /nfs/dbraw/zinc/66/75/91/823667591.db2.gz HEJOPMJQQULWNF-GOEBONIOSA-N 1 2 396.318 4.459 20 0 GIADLO CC1CCN(c2ccc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2)CC1 ZINC000125330498 823668578 /nfs/dbraw/zinc/66/85/78/823668578.db2.gz JWIPPRDXGOEODL-UHFFFAOYSA-N 1 2 393.535 4.240 20 0 GIADLO CCOc1ccccc1C1=CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000125341608 823669208 /nfs/dbraw/zinc/66/92/08/823669208.db2.gz ZPPOEAYELMQNFV-UHFFFAOYSA-N 1 2 387.483 4.260 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412678066 823673953 /nfs/dbraw/zinc/67/39/53/823673953.db2.gz QQTBOSUTOCOZGU-QHCPKHFHSA-N 1 2 385.511 4.270 20 0 GIADLO Cc1nc(-c2ccc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2)cs1 ZINC000125455155 823677532 /nfs/dbraw/zinc/67/75/32/823677532.db2.gz UCYSHVJHWRBNFW-UHFFFAOYSA-N 1 2 393.516 4.435 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)c1C ZINC000125501127 823681067 /nfs/dbraw/zinc/68/10/67/823681067.db2.gz FZGTZIFFCCJSFB-CQSZACIVSA-N 1 2 375.900 4.133 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000125522073 823682499 /nfs/dbraw/zinc/68/24/99/823682499.db2.gz DBUHXISFEHWIAR-UHFFFAOYSA-N 1 2 378.476 4.154 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(-n4cccn4)ccc3C)cn2c1 ZINC000191443722 823685817 /nfs/dbraw/zinc/68/58/17/823685817.db2.gz RAXPKSSFCIUIGG-UHFFFAOYSA-N 1 2 391.500 4.009 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCCOc2ccc(F)cc2)n1 ZINC000191446166 823686006 /nfs/dbraw/zinc/68/60/06/823686006.db2.gz JJLGSBGNQWMXLH-KRWDZBQOSA-N 1 2 378.469 4.065 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCCOc2ccc(F)cc2)n1 ZINC000191446166 823686009 /nfs/dbraw/zinc/68/60/09/823686009.db2.gz JJLGSBGNQWMXLH-KRWDZBQOSA-N 1 2 378.469 4.065 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125574486 823686649 /nfs/dbraw/zinc/68/66/49/823686649.db2.gz SGYQHCAJRJBNCK-UHFFFAOYSA-N 1 2 380.916 4.101 20 0 GIADLO COc1ccc(C[NH2+]Cc2csc(COc3ccc(C)cc3)n2)cc1OC ZINC000125580199 823686928 /nfs/dbraw/zinc/68/69/28/823686928.db2.gz ORQPHVWDPALNSK-UHFFFAOYSA-N 1 2 384.501 4.338 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000063663238 823687737 /nfs/dbraw/zinc/68/77/37/823687737.db2.gz CDFYCPNTNINIMJ-UHFFFAOYSA-N 1 2 390.418 4.164 20 0 GIADLO Cc1cc([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)ccc1N1CCSCC1 ZINC000125592984 823688169 /nfs/dbraw/zinc/68/81/69/823688169.db2.gz BAQQYFCLKFNLHG-UHFFFAOYSA-N 1 2 391.581 4.360 20 0 GIADLO COc1ccccc1COC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000191466559 823688181 /nfs/dbraw/zinc/68/81/81/823688181.db2.gz IBFOPVPNKDIQRF-UHFFFAOYSA-N 1 2 380.282 4.232 20 0 GIADLO O=C(c1cc(Cl)ccc1O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000063688399 823689312 /nfs/dbraw/zinc/68/93/12/823689312.db2.gz UIUBPUVVEKBXDJ-UHFFFAOYSA-N 1 2 379.287 4.047 20 0 GIADLO O=C(c1cc(Cl)ccc1O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000063688399 823689314 /nfs/dbraw/zinc/68/93/14/823689314.db2.gz UIUBPUVVEKBXDJ-UHFFFAOYSA-N 1 2 379.287 4.047 20 0 GIADLO COc1ccccc1-c1csc(C2CC[NH+](CC(=O)OC(C)(C)C)CC2)n1 ZINC000191517252 823694389 /nfs/dbraw/zinc/69/43/89/823694389.db2.gz PSSGUWGTSGKIJC-UHFFFAOYSA-N 1 2 388.533 4.340 20 0 GIADLO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c21 ZINC000125661177 823694438 /nfs/dbraw/zinc/69/44/38/823694438.db2.gz KBLXMUMXKFRIRE-RDTXWAMCSA-N 1 2 393.491 4.143 20 0 GIADLO Cc1ccc(-c2ncc(C[NH+]3CCN(c4ncnc5sccc54)CC3)s2)o1 ZINC000125664419 823694785 /nfs/dbraw/zinc/69/47/85/823694785.db2.gz MPZBKCOHVGTTOP-UHFFFAOYSA-N 1 2 397.529 4.038 20 0 GIADLO Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Oc1ccncc1 ZINC000125668854 823695166 /nfs/dbraw/zinc/69/51/66/823695166.db2.gz IRLQXRAWQAPPNO-JXFKEZNVSA-N 1 2 376.460 4.102 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3cccc(Oc4ccccc4)c3)[nH+]cn2)C1 ZINC000413056688 823702014 /nfs/dbraw/zinc/70/20/14/823702014.db2.gz VMGDKQZEVAVUQK-PKOBYXMFSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3cccc(Oc4ccccc4)c3)nc[nH+]2)C1 ZINC000413056688 823702016 /nfs/dbraw/zinc/70/20/16/823702016.db2.gz VMGDKQZEVAVUQK-PKOBYXMFSA-N 1 2 390.487 4.088 20 0 GIADLO CC(C)[C@@H]1CCC[N@@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000063858656 823703158 /nfs/dbraw/zinc/70/31/58/823703158.db2.gz FOHRVKKSHFTYNK-SFHVURJKSA-N 1 2 383.521 4.195 20 0 GIADLO CC(C)[C@@H]1CCC[N@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000063858656 823703161 /nfs/dbraw/zinc/70/31/61/823703161.db2.gz FOHRVKKSHFTYNK-SFHVURJKSA-N 1 2 383.521 4.195 20 0 GIADLO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000191581687 823704245 /nfs/dbraw/zinc/70/42/45/823704245.db2.gz KCQWQKIREQKLMA-CABCVRRESA-N 1 2 386.496 4.194 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000574338301 823704841 /nfs/dbraw/zinc/70/48/41/823704841.db2.gz RXEALPKRJKEYOO-RNCFNFMXSA-N 1 2 379.304 4.027 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000574338301 823704843 /nfs/dbraw/zinc/70/48/43/823704843.db2.gz RXEALPKRJKEYOO-RNCFNFMXSA-N 1 2 379.304 4.027 20 0 GIADLO FC(F)(F)COCc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000125755854 823704950 /nfs/dbraw/zinc/70/49/50/823704950.db2.gz RGGXUYNRXWHVSH-GOSISDBHSA-N 1 2 375.394 4.368 20 0 GIADLO C[N@H+](Cc1coc(-c2ccccc2)n1)[C@H](CO)c1cccc(Br)c1 ZINC000125809897 823716334 /nfs/dbraw/zinc/71/63/34/823716334.db2.gz UYEGPKCWBLXJNN-GOSISDBHSA-N 1 2 387.277 4.270 20 0 GIADLO C[N@@H+](Cc1coc(-c2ccccc2)n1)[C@H](CO)c1cccc(Br)c1 ZINC000125809897 823716339 /nfs/dbraw/zinc/71/63/39/823716339.db2.gz UYEGPKCWBLXJNN-GOSISDBHSA-N 1 2 387.277 4.270 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2cccc(C3CC3)c2)C[C@@H](C)O1 ZINC000413179694 823722380 /nfs/dbraw/zinc/72/23/80/823722380.db2.gz OLFPJPCOWMXTFR-QZTJIDSGSA-N 1 2 378.516 4.354 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)C[C@@H](C)O1 ZINC000413184636 823723367 /nfs/dbraw/zinc/72/33/67/823723367.db2.gz YOVMSYGUIDBCSP-TVLQYADYSA-N 1 2 382.479 4.119 20 0 GIADLO FC(F)c1nc2ccc(Cl)cc2c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000413189526 823724355 /nfs/dbraw/zinc/72/43/55/823724355.db2.gz IYEMRNDFEJEHKP-CYBMUJFWSA-N 1 2 376.794 4.274 20 0 GIADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC000191656730 823725161 /nfs/dbraw/zinc/72/51/61/823725161.db2.gz OHHSPVJYIWIATI-OAHLLOKOSA-N 1 2 391.471 4.237 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N(CCc1cccc(F)c1)C1CCCC1 ZINC000163623789 823729292 /nfs/dbraw/zinc/72/92/92/823729292.db2.gz VTHOGDJCLVKFQK-UHFFFAOYSA-N 1 2 398.526 4.098 20 0 GIADLO Cc1nc2ccccc2cc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000574472046 823739119 /nfs/dbraw/zinc/73/91/19/823739119.db2.gz PARXPLNVMDLWBK-QGZVFWFLSA-N 1 2 375.472 4.189 20 0 GIADLO O[C@H]([C@@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1)C(F)(F)F ZINC000413267447 823741590 /nfs/dbraw/zinc/74/15/90/823741590.db2.gz POCBOUCADBJUCU-BXUZGUMPSA-N 1 2 389.215 4.137 20 0 GIADLO C[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(Br)c1 ZINC000461896342 823742675 /nfs/dbraw/zinc/74/26/75/823742675.db2.gz URLBJLUHYTURRK-HNNXBMFYSA-N 1 2 398.304 4.114 20 0 GIADLO Clc1cnn([C@H]2CCN(c3[nH+]ccc4cc(Br)ccc43)C2)c1 ZINC000413313550 823750454 /nfs/dbraw/zinc/75/04/54/823750454.db2.gz RYBMPYZMDKQDMU-AWEZNQCLSA-N 1 2 377.673 4.299 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C)c(C)n1 ZINC000413371316 823762000 /nfs/dbraw/zinc/76/20/00/823762000.db2.gz ICCXBICAFUWFAF-UHFFFAOYSA-N 1 2 392.503 4.026 20 0 GIADLO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000574550475 823762144 /nfs/dbraw/zinc/76/21/44/823762144.db2.gz WFEOBFGBIROWQK-PGRDOPGGSA-N 1 2 380.536 4.409 20 0 GIADLO Cc1cccc([C@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000126022656 823768531 /nfs/dbraw/zinc/76/85/31/823768531.db2.gz DPJYDOXMOFIGDP-OAQYLSRUSA-N 1 2 378.520 4.427 20 0 GIADLO O=C(Nc1nnc(-c2cc3ccccc3o2)s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000191792414 823769451 /nfs/dbraw/zinc/76/94/51/823769451.db2.gz HFRDGXMBYINHBP-UHFFFAOYSA-N 1 2 394.460 4.017 20 0 GIADLO Cc1ccc(CN2CC[C@H]([NH2+]Cc3csc(-c4cccs4)n3)C2=O)cc1 ZINC000191801681 823772948 /nfs/dbraw/zinc/77/29/48/823772948.db2.gz GWKWBXNWMXGLIP-KRWDZBQOSA-N 1 2 383.542 4.071 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000126079728 823781899 /nfs/dbraw/zinc/78/18/99/823781899.db2.gz BRGGHPAHQBFGOY-ZHACJKMWSA-N 1 2 387.483 4.027 20 0 GIADLO CC[N@H+](CC(=O)N[C@@H](Cc1ccccc1)C(C)=O)[C@H](C)c1cc2ccccc2o1 ZINC000064349067 823798436 /nfs/dbraw/zinc/79/84/36/823798436.db2.gz KFRPUVPHNUFRDD-UTKZUKDTSA-N 1 2 392.499 4.132 20 0 GIADLO CC[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)C(C)=O)[C@H](C)c1cc2ccccc2o1 ZINC000064349067 823798442 /nfs/dbraw/zinc/79/84/42/823798442.db2.gz KFRPUVPHNUFRDD-UTKZUKDTSA-N 1 2 392.499 4.132 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)c2cccc(Br)c2)c1C ZINC000462027461 823801294 /nfs/dbraw/zinc/80/12/94/823801294.db2.gz NLUQDXQYPZULDR-ZDUSSCGKSA-N 1 2 391.309 4.232 20 0 GIADLO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000462028833 823802174 /nfs/dbraw/zinc/80/21/74/823802174.db2.gz GMFMHAPZOJRRDN-LJQANCHMSA-N 1 2 375.900 4.147 20 0 GIADLO COC[C@@H](C)[C@H](C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000462033035 823803911 /nfs/dbraw/zinc/80/39/11/823803911.db2.gz QOVFLXBXVHXBSS-MOPGFXCFSA-N 1 2 391.515 4.133 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000164504851 823805536 /nfs/dbraw/zinc/80/55/36/823805536.db2.gz FSXMTUHHUOTGET-OTWHNJEPSA-N 1 2 390.890 4.099 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000164504851 823805539 /nfs/dbraw/zinc/80/55/39/823805539.db2.gz FSXMTUHHUOTGET-OTWHNJEPSA-N 1 2 390.890 4.099 20 0 GIADLO Cc1cccc(OCCCCC(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC000126187687 823808144 /nfs/dbraw/zinc/80/81/44/823808144.db2.gz XHYLJEBTVRSWGI-UHFFFAOYSA-N 1 2 396.531 4.323 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000126189679 823808963 /nfs/dbraw/zinc/80/89/63/823808963.db2.gz BLCCNLFVQJXGSI-IAGOWNOFSA-N 1 2 384.442 4.134 20 0 GIADLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000164572341 823809416 /nfs/dbraw/zinc/80/94/16/823809416.db2.gz DNUZSZMWBQQLJN-DEOSSOPVSA-N 1 2 387.483 4.125 20 0 GIADLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000164572341 823809424 /nfs/dbraw/zinc/80/94/24/823809424.db2.gz DNUZSZMWBQQLJN-DEOSSOPVSA-N 1 2 387.483 4.125 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1 ZINC000191918784 823811688 /nfs/dbraw/zinc/81/16/88/823811688.db2.gz IVWRUWXAANDODK-UHFFFAOYSA-N 1 2 394.523 4.192 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1sc(CC2CC2)nc1C ZINC000191924316 823812717 /nfs/dbraw/zinc/81/27/17/823812717.db2.gz DXGSVLNVWCQTLA-UHFFFAOYSA-N 1 2 398.576 4.178 20 0 GIADLO O=S(=O)(Nc1c[nH+]ccc1N1CCCC1)c1cccc(-c2ccccc2)c1 ZINC000574733571 823813459 /nfs/dbraw/zinc/81/34/59/823813459.db2.gz BMMWKELVQJKFIZ-UHFFFAOYSA-N 1 2 379.485 4.150 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000064440882 823819429 /nfs/dbraw/zinc/81/94/29/823819429.db2.gz IFABOZUMXIRBBY-GOSISDBHSA-N 1 2 396.516 4.042 20 0 GIADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccccc1-c1ccccc1 ZINC000064441123 823819499 /nfs/dbraw/zinc/81/94/99/823819499.db2.gz CWJWWLYASHPXRR-NRFANRHFSA-N 1 2 377.488 4.160 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cs1 ZINC000164812735 823821205 /nfs/dbraw/zinc/82/12/05/823821205.db2.gz AXWNFLMMZARRGR-KRWDZBQOSA-N 1 2 399.560 4.391 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cs1 ZINC000164812735 823821210 /nfs/dbraw/zinc/82/12/10/823821210.db2.gz AXWNFLMMZARRGR-KRWDZBQOSA-N 1 2 399.560 4.391 20 0 GIADLO Cc1ccc(SCCC(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000126250916 823821299 /nfs/dbraw/zinc/82/12/99/823821299.db2.gz CLVYLCLSAFYPTD-UHFFFAOYSA-N 1 2 384.545 4.257 20 0 GIADLO COC(=O)c1occc1C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000574779256 823824825 /nfs/dbraw/zinc/82/48/25/823824825.db2.gz LCNBYRWRBSDBJO-UHFFFAOYSA-N 1 2 392.171 4.137 20 0 GIADLO CC[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)CC(F)(F)F ZINC000413725564 823826133 /nfs/dbraw/zinc/82/61/33/823826133.db2.gz FCKAZFGBQWANHZ-KBPBESRZSA-N 1 2 377.476 4.115 20 0 GIADLO Cc1noc(-c2ccccc2)c1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000126278965 823827659 /nfs/dbraw/zinc/82/76/59/823827659.db2.gz VDXBAQKJZGJRGT-UHFFFAOYSA-N 1 2 387.443 4.217 20 0 GIADLO COc1ccc(Cl)cc1C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000064481930 823827955 /nfs/dbraw/zinc/82/79/55/823827955.db2.gz GENQPCVCGSOOHX-UHFFFAOYSA-N 1 2 393.314 4.350 20 0 GIADLO COc1ccc(Cl)cc1C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000064481930 823827961 /nfs/dbraw/zinc/82/79/61/823827961.db2.gz GENQPCVCGSOOHX-UHFFFAOYSA-N 1 2 393.314 4.350 20 0 GIADLO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000574797695 823829738 /nfs/dbraw/zinc/82/97/38/823829738.db2.gz IBNKYGQWHULGQG-CABCVRRESA-N 1 2 394.462 4.422 20 0 GIADLO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000574797695 823829743 /nfs/dbraw/zinc/82/97/43/823829743.db2.gz IBNKYGQWHULGQG-CABCVRRESA-N 1 2 394.462 4.422 20 0 GIADLO COC[C@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)c1ccco1 ZINC000126295361 823832945 /nfs/dbraw/zinc/83/29/45/823832945.db2.gz YBOZABAQQOCURT-KRWDZBQOSA-N 1 2 390.281 4.014 20 0 GIADLO Cc1nc2ccccc2nc1C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000064515880 823833405 /nfs/dbraw/zinc/83/34/05/823833405.db2.gz UMLBDKVPQBZPJB-HXUWFJFHSA-N 1 2 398.304 4.274 20 0 GIADLO Cc1nc2ccccc2nc1C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000064515880 823833416 /nfs/dbraw/zinc/83/34/16/823833416.db2.gz UMLBDKVPQBZPJB-HXUWFJFHSA-N 1 2 398.304 4.274 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000165226978 823840414 /nfs/dbraw/zinc/84/04/14/823840414.db2.gz PHUYDLLYWDGSLN-FOIQADDNSA-N 1 2 392.927 4.370 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)cc3)no2)cc1 ZINC000192042045 823841504 /nfs/dbraw/zinc/84/15/04/823841504.db2.gz HGRSVLIOFPFCPG-PKOBYXMFSA-N 1 2 385.851 4.018 20 0 GIADLO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000574857703 823845460 /nfs/dbraw/zinc/84/54/60/823845460.db2.gz MMGVEKSIOFETEW-JOCHJYFZSA-N 1 2 377.419 4.384 20 0 GIADLO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000574857703 823845462 /nfs/dbraw/zinc/84/54/62/823845462.db2.gz MMGVEKSIOFETEW-JOCHJYFZSA-N 1 2 377.419 4.384 20 0 GIADLO CCN(C(=O)NCc1c[nH+]cn1C)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000462160055 823849283 /nfs/dbraw/zinc/84/92/83/823849283.db2.gz ACYUJMZQVGULSX-QGZVFWFLSA-N 1 2 392.503 4.388 20 0 GIADLO CC(C)Cn1ncc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)c1C1CC1 ZINC000574880242 823850149 /nfs/dbraw/zinc/85/01/49/823850149.db2.gz MMSOBLLJMAEUMM-UHFFFAOYSA-N 1 2 377.492 4.283 20 0 GIADLO O=C(N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000574917515 823860228 /nfs/dbraw/zinc/86/02/28/823860228.db2.gz FLMMBGBNCMIJEP-UXHICEINSA-N 1 2 399.498 4.264 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cs1)c1c(C)cc(C)cc1C ZINC000165815705 823863579 /nfs/dbraw/zinc/86/35/79/823863579.db2.gz OJMCMGUROLWDFL-YOFSQIOKSA-N 1 2 399.560 4.241 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)cs1)c1c(C)cc(C)cc1C ZINC000165815705 823863585 /nfs/dbraw/zinc/86/35/85/823863585.db2.gz OJMCMGUROLWDFL-YOFSQIOKSA-N 1 2 399.560 4.241 20 0 GIADLO COCC1CC[NH+](Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)CC1 ZINC000165839186 823863984 /nfs/dbraw/zinc/86/39/84/823863984.db2.gz FTRNAMNAHGXVCV-UHFFFAOYSA-N 1 2 387.549 4.303 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000165895373 823865444 /nfs/dbraw/zinc/86/54/44/823865444.db2.gz SBLCSFXYPLRKFE-HIFRSBDPSA-N 1 2 383.254 4.094 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000165895373 823865451 /nfs/dbraw/zinc/86/54/51/823865451.db2.gz SBLCSFXYPLRKFE-HIFRSBDPSA-N 1 2 383.254 4.094 20 0 GIADLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccc(F)c(F)c1 ZINC000462198296 823865715 /nfs/dbraw/zinc/86/57/15/823865715.db2.gz YLDHBKKUTMDELB-KGLIPLIRSA-N 1 2 379.476 4.176 20 0 GIADLO C[C@@H]1CCN(C(=O)CCSc2nc3ccccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000126447208 823870338 /nfs/dbraw/zinc/87/03/38/823870338.db2.gz BRMCGLWXFNFDSG-GDBMZVCRSA-N 1 2 386.546 4.085 20 0 GIADLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1cccc(F)c1F ZINC000462207406 823871736 /nfs/dbraw/zinc/87/17/36/823871736.db2.gz GNPYZACWMAJZMQ-KGLIPLIRSA-N 1 2 379.476 4.176 20 0 GIADLO COc1ccc2c(c1)CN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H](C1CCCCC1)C2 ZINC000574992564 823881439 /nfs/dbraw/zinc/88/14/39/823881439.db2.gz PEYZPWOQEFQQOO-JTSKRJEESA-N 1 2 381.520 4.377 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000462229798 823883780 /nfs/dbraw/zinc/88/37/80/823883780.db2.gz GJWURAXSGIKIQY-ZDUSSCGKSA-N 1 2 394.338 4.421 20 0 GIADLO CSc1ccc(F)cc1CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462230223 823884305 /nfs/dbraw/zinc/88/43/05/823884305.db2.gz ZKSVFMWFIJVQDK-CQSZACIVSA-N 1 2 393.553 4.198 20 0 GIADLO COc1cccc(-c2nc(C[NH+]3CCC(c4noc(C5CC5)n4)CC3)cs2)c1 ZINC000462233472 823887038 /nfs/dbraw/zinc/88/70/38/823887038.db2.gz KKIMHDKRILPFEK-UHFFFAOYSA-N 1 2 396.516 4.459 20 0 GIADLO CC[C@@H](CNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)CC(F)(F)F ZINC000414006239 823888145 /nfs/dbraw/zinc/88/81/45/823888145.db2.gz PDSNXSSYWNXKNG-CQSZACIVSA-N 1 2 393.453 4.321 20 0 GIADLO CC[C@@H](CNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)CC(F)(F)F ZINC000414006239 823888149 /nfs/dbraw/zinc/88/81/49/823888149.db2.gz PDSNXSSYWNXKNG-CQSZACIVSA-N 1 2 393.453 4.321 20 0 GIADLO COc1cccc([C@@H]([NH2+]CC(=O)N2CCCC[C@@H]2C)c2ccccc2Cl)c1 ZINC000462245282 823894226 /nfs/dbraw/zinc/89/42/26/823894226.db2.gz IAWKRAJYPSZEAS-KSFYIVLOSA-N 1 2 386.923 4.429 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCS[C@H](C)CC2)cs1)c1ccccc1F ZINC000192189300 823897004 /nfs/dbraw/zinc/89/70/04/823897004.db2.gz GLJNMOJIVMXFTB-CYBMUJFWSA-N 1 2 379.526 4.294 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCS[C@H](C)CC2)cs1)c1ccccc1F ZINC000192189300 823897011 /nfs/dbraw/zinc/89/70/11/823897011.db2.gz GLJNMOJIVMXFTB-CYBMUJFWSA-N 1 2 379.526 4.294 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cnn1-c1ccc(F)cc1 ZINC000167950353 823898958 /nfs/dbraw/zinc/89/89/58/823898958.db2.gz FSOWAYXKDBACHN-LIRRHRJNSA-N 1 2 382.487 4.220 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462270091 823907814 /nfs/dbraw/zinc/90/78/14/823907814.db2.gz LDSWVJQRZDHZQJ-CHWSQXEVSA-N 1 2 397.466 4.205 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462270091 823907816 /nfs/dbraw/zinc/90/78/16/823907816.db2.gz LDSWVJQRZDHZQJ-CHWSQXEVSA-N 1 2 397.466 4.205 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000192255123 823918321 /nfs/dbraw/zinc/91/83/21/823918321.db2.gz APOBWCTWORLXIK-UHFFFAOYSA-N 1 2 386.883 4.306 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 ZINC000192259188 823920140 /nfs/dbraw/zinc/92/01/40/823920140.db2.gz ZFPYTEUHFJWLLN-UHFFFAOYSA-N 1 2 398.551 4.291 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1csc(-c2ccccc2)n1)C(=O)NCCc1ccccc1 ZINC000414157606 823920196 /nfs/dbraw/zinc/92/01/96/823920196.db2.gz YDJXTEWGBPIYIN-DLBZAZTESA-N 1 2 379.529 4.208 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CCOc2ccccc2-c2ccccc2)c1C ZINC000064997921 823923354 /nfs/dbraw/zinc/92/33/54/823923354.db2.gz BVYHNLFYNHTZEW-UHFFFAOYSA-N 1 2 390.483 4.459 20 0 GIADLO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1[nH+]cnc2c1cnn2C ZINC000575148351 823923560 /nfs/dbraw/zinc/92/35/60/823923560.db2.gz DJNMNBILDFJVHN-UHFFFAOYSA-N 1 2 389.303 4.037 20 0 GIADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000170652846 823927560 /nfs/dbraw/zinc/92/75/60/823927560.db2.gz UHOZLHZNCMKFJW-WBVHZDCISA-N 1 2 386.496 4.129 20 0 GIADLO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000170652846 823927566 /nfs/dbraw/zinc/92/75/66/823927566.db2.gz UHOZLHZNCMKFJW-WBVHZDCISA-N 1 2 386.496 4.129 20 0 GIADLO CC(C)c1nc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000170666212 823929142 /nfs/dbraw/zinc/92/91/42/823929142.db2.gz JCLUFLSGHOCIEW-UHFFFAOYSA-N 1 2 377.941 4.268 20 0 GIADLO CC(C)c1nc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000170666212 823929150 /nfs/dbraw/zinc/92/91/50/823929150.db2.gz JCLUFLSGHOCIEW-UHFFFAOYSA-N 1 2 377.941 4.268 20 0 GIADLO COC[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccc(Cl)c1 ZINC000575168293 823930320 /nfs/dbraw/zinc/93/03/20/823930320.db2.gz HXRCMUDHTMPMSL-KHYOSLBOSA-N 1 2 375.900 4.148 20 0 GIADLO C[C@H](CC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)n1cc[nH+]c1 ZINC000575186048 823933879 /nfs/dbraw/zinc/93/38/79/823933879.db2.gz SEGQKVLZROQFGR-ACJLOTCBSA-N 1 2 376.298 4.254 20 0 GIADLO Cc1c([C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cnn1-c1cc(C)ccc1C ZINC000414243339 823938353 /nfs/dbraw/zinc/93/83/53/823938353.db2.gz QXEQLWQUSLWPRW-KRWDZBQOSA-N 1 2 397.544 4.052 20 0 GIADLO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000126738088 823938881 /nfs/dbraw/zinc/93/88/81/823938881.db2.gz QTUWEEIWCFTFKD-UHFFFAOYSA-N 1 2 393.462 4.137 20 0 GIADLO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000126738088 823938886 /nfs/dbraw/zinc/93/88/86/823938886.db2.gz QTUWEEIWCFTFKD-UHFFFAOYSA-N 1 2 393.462 4.137 20 0 GIADLO Cc1nc(-c2cccc(-c3noc([C@@H](c4cccc(Cl)c4)[NH+](C)C)n3)c2)n[nH]1 ZINC000575217006 823942021 /nfs/dbraw/zinc/94/20/21/823942021.db2.gz YAVNTYNNFBBIHX-QGZVFWFLSA-N 1 2 394.866 4.135 20 0 GIADLO O=C(COc1cc(Cl)ccc1Cl)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000126751131 823942091 /nfs/dbraw/zinc/94/20/91/823942091.db2.gz ODTGHYKWNXDSPV-UHFFFAOYSA-N 1 2 394.302 4.074 20 0 GIADLO FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CC2 ZINC000414257525 823943261 /nfs/dbraw/zinc/94/32/61/823943261.db2.gz OYHSLWGJZKJZJD-GFCCVEGCSA-N 1 2 377.288 4.171 20 0 GIADLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc4ncccc43)c2C1 ZINC000462367483 823944264 /nfs/dbraw/zinc/94/42/64/823944264.db2.gz CMFRLARCLUDFDD-MRXNPFEDSA-N 1 2 395.528 4.396 20 0 GIADLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc4ncccc43)c2C1 ZINC000462367483 823944275 /nfs/dbraw/zinc/94/42/75/823944275.db2.gz CMFRLARCLUDFDD-MRXNPFEDSA-N 1 2 395.528 4.396 20 0 GIADLO COc1cc(NC(=O)CC[NH2+]c2cc(C)c(O)c(C)c2)c(OC)cc1Cl ZINC000575251896 823950740 /nfs/dbraw/zinc/95/07/40/823950740.db2.gz HORBQBITRCJCAC-UHFFFAOYSA-N 1 2 378.856 4.120 20 0 GIADLO CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000170719665 823952951 /nfs/dbraw/zinc/95/29/51/823952951.db2.gz WKNNZKDYQIXBHH-SFHVURJKSA-N 1 2 398.507 4.128 20 0 GIADLO COc1ccc(CC[N@H+](Cc2nnc(C)n2C2CC2)Cc2ccccc2)cc1 ZINC000170727015 823955761 /nfs/dbraw/zinc/95/57/61/823955761.db2.gz BQVOVUNJKGBGAW-UHFFFAOYSA-N 1 2 376.504 4.175 20 0 GIADLO COc1ccc(CC[N@@H+](Cc2nnc(C)n2C2CC2)Cc2ccccc2)cc1 ZINC000170727015 823955772 /nfs/dbraw/zinc/95/57/72/823955772.db2.gz BQVOVUNJKGBGAW-UHFFFAOYSA-N 1 2 376.504 4.175 20 0 GIADLO COCC[N@H+](Cn1nc(-c2ccc(OC(F)F)cc2)oc1=S)C1CCCC1 ZINC000065188499 823957790 /nfs/dbraw/zinc/95/77/90/823957790.db2.gz GWRTYYPHPMTDSV-UHFFFAOYSA-N 1 2 399.463 4.322 20 0 GIADLO COCC[N@@H+](Cn1nc(-c2ccc(OC(F)F)cc2)oc1=S)C1CCCC1 ZINC000065188499 823957794 /nfs/dbraw/zinc/95/77/94/823957794.db2.gz GWRTYYPHPMTDSV-UHFFFAOYSA-N 1 2 399.463 4.322 20 0 GIADLO CC(C)([NH2+]Cn1c(=O)oc2cc(Cl)ccc21)c1ccc(Br)cc1 ZINC000065188179 823957897 /nfs/dbraw/zinc/95/78/97/823957897.db2.gz OULHSVCWRMUSLC-UHFFFAOYSA-N 1 2 395.684 4.493 20 0 GIADLO CCCCNC(=O)[C@@H]1CCC[N@H+](Cn2cc(-c3ccc(F)cc3)oc2=S)C1 ZINC000065189051 823958283 /nfs/dbraw/zinc/95/82/83/823958283.db2.gz AAWDTIYKTKXRGK-MRXNPFEDSA-N 1 2 391.512 4.202 20 0 GIADLO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cn2cc(-c3ccc(F)cc3)oc2=S)C1 ZINC000065189051 823958290 /nfs/dbraw/zinc/95/82/90/823958290.db2.gz AAWDTIYKTKXRGK-MRXNPFEDSA-N 1 2 391.512 4.202 20 0 GIADLO Brc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1nnc(C2CC2)s1 ZINC000414333029 823960382 /nfs/dbraw/zinc/96/03/82/823960382.db2.gz VQVJWYWVRFZELR-CYBMUJFWSA-N 1 2 380.311 4.182 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(Br)cn1 ZINC000170757052 823963353 /nfs/dbraw/zinc/96/33/53/823963353.db2.gz JKPSFTYFVDNMHN-UHFFFAOYSA-N 1 2 397.276 4.296 20 0 GIADLO C[C@@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)CC(F)(F)F ZINC000414408554 823974240 /nfs/dbraw/zinc/97/42/40/823974240.db2.gz MQPVCSOCAMBOSQ-NWDGAFQWSA-N 1 2 378.464 4.085 20 0 GIADLO C[C@@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)CC(F)(F)F ZINC000414408554 823974249 /nfs/dbraw/zinc/97/42/49/823974249.db2.gz MQPVCSOCAMBOSQ-NWDGAFQWSA-N 1 2 378.464 4.085 20 0 GIADLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)s1 ZINC000414416742 823977739 /nfs/dbraw/zinc/97/77/39/823977739.db2.gz WOIYKFHCWWYOPM-FQEVSTJZSA-N 1 2 375.559 4.022 20 0 GIADLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)s1 ZINC000414416742 823977744 /nfs/dbraw/zinc/97/77/44/823977744.db2.gz WOIYKFHCWWYOPM-FQEVSTJZSA-N 1 2 375.559 4.022 20 0 GIADLO Cc1nc(C)c(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000575637039 823981971 /nfs/dbraw/zinc/98/19/71/823981971.db2.gz CNXNBHUEAMPZFP-LSDHHAIUSA-N 1 2 382.892 4.119 20 0 GIADLO Cc1nc(C)c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000575637039 823981975 /nfs/dbraw/zinc/98/19/75/823981975.db2.gz CNXNBHUEAMPZFP-LSDHHAIUSA-N 1 2 382.892 4.119 20 0 GIADLO CCc1ncc(C[N@@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cn1 ZINC000414454380 823988690 /nfs/dbraw/zinc/98/86/90/823988690.db2.gz QJRYSMSAPMTGCI-QGZVFWFLSA-N 1 2 379.426 4.410 20 0 GIADLO CCc1ncc(C[N@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cn1 ZINC000414454380 823988697 /nfs/dbraw/zinc/98/86/97/823988697.db2.gz QJRYSMSAPMTGCI-QGZVFWFLSA-N 1 2 379.426 4.410 20 0 GIADLO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000126967470 823991296 /nfs/dbraw/zinc/99/12/96/823991296.db2.gz SFMINQXELVFUNS-UHFFFAOYSA-N 1 2 375.350 4.043 20 0 GIADLO C[C@@H](CC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)n1cc[nH+]c1 ZINC000575806028 824000980 /nfs/dbraw/zinc/00/09/80/824000980.db2.gz QGVRIEMDMKCYKY-GOEBONIOSA-N 1 2 377.872 4.074 20 0 GIADLO CCc1cccc(C)c1NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000170902650 824003198 /nfs/dbraw/zinc/00/31/98/824003198.db2.gz RIOJXQWCQOKMEC-SFHVURJKSA-N 1 2 381.520 4.477 20 0 GIADLO CCOc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000170902468 824003221 /nfs/dbraw/zinc/00/32/21/824003221.db2.gz GJNOHHVLIZMQSA-QGZVFWFLSA-N 1 2 383.492 4.005 20 0 GIADLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000192473690 824004555 /nfs/dbraw/zinc/00/45/55/824004555.db2.gz BLCJUOURDQAFMY-UHFFFAOYSA-N 1 2 381.476 4.439 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCc2c(C)cccc2C1 ZINC000170922461 824006102 /nfs/dbraw/zinc/00/61/02/824006102.db2.gz QLOPDOQZBDDPKV-UHFFFAOYSA-N 1 2 388.515 4.103 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCc2c(C)cccc2C1 ZINC000170922461 824006106 /nfs/dbraw/zinc/00/61/06/824006106.db2.gz QLOPDOQZBDDPKV-UHFFFAOYSA-N 1 2 388.515 4.103 20 0 GIADLO FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000414560235 824012321 /nfs/dbraw/zinc/01/23/21/824012321.db2.gz WPZNGUGERPNIDN-UHFFFAOYSA-N 1 2 379.411 4.114 20 0 GIADLO COCc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000192503433 824013079 /nfs/dbraw/zinc/01/30/79/824013079.db2.gz NQEXWVMHEYIBKT-RTWAWAEBSA-N 1 2 376.460 4.080 20 0 GIADLO C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000575866555 824015914 /nfs/dbraw/zinc/01/59/14/824015914.db2.gz YMSCBIAABKEFLJ-QFIPXVFZSA-N 1 2 393.466 4.095 20 0 GIADLO C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)c1cc2ccccc2s1 ZINC000170968931 824022548 /nfs/dbraw/zinc/02/25/48/824022548.db2.gz XMFULWTXKLOUCB-OPAMFIHVSA-N 1 2 394.540 4.277 20 0 GIADLO Cc1ccc(-c2noc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCC3)n2)cc1 ZINC000576004546 824047737 /nfs/dbraw/zinc/04/77/37/824047737.db2.gz HQBYCVVQJGDWQD-OAQYLSRUSA-N 1 2 377.488 4.429 20 0 GIADLO Cc1cccn2cc(Cc3noc(-c4ncoc4-c4ccc(F)cc4)n3)[nH+]c12 ZINC000576026313 824052843 /nfs/dbraw/zinc/05/28/43/824052843.db2.gz OXVFXNYNTYBDLQ-UHFFFAOYSA-N 1 2 375.363 4.078 20 0 GIADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000013729124 210084791 /nfs/dbraw/zinc/08/47/91/210084791.db2.gz RDPIGJJMCNJXDP-FQEVSTJZSA-N 1 2 385.511 4.119 20 0 GIADLO c1ccc(COc2ccc(C[NH+]3CCN(CCc4ccccn4)CC3)cc2)cc1 ZINC000090751684 209237751 /nfs/dbraw/zinc/23/77/51/209237751.db2.gz ZXDJLDJIRAFZMX-UHFFFAOYSA-N 1 2 387.527 4.021 20 0 GIADLO COc1cccc2cc([C@@H](C)[NH2+]Cc3nnc4n3C[C@@H](C(F)(F)F)CC4)oc21 ZINC000359905005 209201539 /nfs/dbraw/zinc/20/15/39/209201539.db2.gz UNPTVPQDSTXHQV-YPMHNXCESA-N 1 2 394.397 4.008 20 0 GIADLO Cc1[nH]c(-c2cccc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)c2)[nH+]c1C ZINC000359937776 209204248 /nfs/dbraw/zinc/20/42/48/209204248.db2.gz QVZPIADTJJVEJC-GOSISDBHSA-N 1 2 392.484 4.135 20 0 GIADLO Cc1cc(C)c(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c(C)[nH+]1 ZINC000097213859 211362015 /nfs/dbraw/zinc/36/20/15/211362015.db2.gz MRASHTTUWJTMFQ-UHFFFAOYSA-N 1 2 398.466 4.267 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164660595 719344405 /nfs/dbraw/zinc/34/44/05/719344405.db2.gz IXYFUUYKDMHEDC-BJLQDIEVSA-N 1 2 378.944 4.409 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164660595 719344410 /nfs/dbraw/zinc/34/44/10/719344410.db2.gz IXYFUUYKDMHEDC-BJLQDIEVSA-N 1 2 378.944 4.409 20 0 GIADLO Clc1cc(Cl)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164721161 720356007 /nfs/dbraw/zinc/35/60/07/720356007.db2.gz AVGABYXMWPZQEB-KGLIPLIRSA-N 1 2 383.710 4.290 20 0 GIADLO Clc1cc(Cl)c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164721161 720356012 /nfs/dbraw/zinc/35/60/12/720356012.db2.gz AVGABYXMWPZQEB-KGLIPLIRSA-N 1 2 383.710 4.290 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001164896756 721476046 /nfs/dbraw/zinc/47/60/46/721476046.db2.gz XXKVUBKDXLXRKW-JOCHJYFZSA-N 1 2 398.938 4.022 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001164896756 721476048 /nfs/dbraw/zinc/47/60/48/721476048.db2.gz XXKVUBKDXLXRKW-JOCHJYFZSA-N 1 2 398.938 4.022 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000570488235 823044977 /nfs/dbraw/zinc/04/49/77/823044977.db2.gz RTYCHRGVCHLOPA-LJQANCHMSA-N 1 2 387.405 4.284 20 0 GIADLO COc1ccc(C)cc1[C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000458497090 823047620 /nfs/dbraw/zinc/04/76/20/823047620.db2.gz YSFSMJGAPGGNOO-IRXDYDNUSA-N 1 2 378.476 4.311 20 0 GIADLO CC(C)[C@@H]1C[C@@]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)(C(=O)[O-])c2ccccc21 ZINC000570534633 823050798 /nfs/dbraw/zinc/05/07/98/823050798.db2.gz VMCJYKYHZJLIKG-REWPJTCUSA-N 1 2 375.472 4.085 20 0 GIADLO CC(C)c1cnc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)s1 ZINC000187379081 823052774 /nfs/dbraw/zinc/05/27/74/823052774.db2.gz ATSFECPLJHETMU-ZDUSSCGKSA-N 1 2 383.439 4.180 20 0 GIADLO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC000570552892 823053341 /nfs/dbraw/zinc/05/33/41/823053341.db2.gz BBWAVFOGWUWEEW-SNVBAGLBSA-N 1 2 382.411 4.457 20 0 GIADLO CCCCc1nnc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)s1 ZINC000120728454 823053422 /nfs/dbraw/zinc/05/34/22/823053422.db2.gz MFXAHDMJRHPMQP-FUHWJXTLSA-N 1 2 396.520 4.128 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2cc3ccccc3[nH]2)C[C@@H](C)O1 ZINC000120738443 823054983 /nfs/dbraw/zinc/05/49/83/823054983.db2.gz AUPFXAFEZWQUAL-IAGOWNOFSA-N 1 2 392.503 4.099 20 0 GIADLO O=c1cc(C[NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)nc2sccn21 ZINC000055870634 823057551 /nfs/dbraw/zinc/05/75/51/823057551.db2.gz HZXXRTFVTMCRIV-LJQANCHMSA-N 1 2 381.888 4.289 20 0 GIADLO CC(C)[C@]1(CO)CCC[N@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000570586264 823057871 /nfs/dbraw/zinc/05/78/71/823057871.db2.gz GSEHQOOCWXALBU-JOCHJYFZSA-N 1 2 397.544 4.294 20 0 GIADLO CC(C)[C@]1(CO)CCC[N@@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000570586264 823057873 /nfs/dbraw/zinc/05/78/73/823057873.db2.gz GSEHQOOCWXALBU-JOCHJYFZSA-N 1 2 397.544 4.294 20 0 GIADLO Cc1nnc(C[NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1C1CC1 ZINC000120764545 823059360 /nfs/dbraw/zinc/05/93/60/823059360.db2.gz NSRYFHPGXSKGEA-OAHLLOKOSA-N 1 2 375.476 4.025 20 0 GIADLO CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458683179 823073703 /nfs/dbraw/zinc/07/37/03/823073703.db2.gz JOAJDFUPDICQAS-AWEZNQCLSA-N 1 2 388.821 4.302 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(OCC3CC3)cc2)C[C@@H](C)O1 ZINC000056016622 823079135 /nfs/dbraw/zinc/07/91/35/823079135.db2.gz CVDSZLMDBMIKSK-QZTJIDSGSA-N 1 2 394.515 4.337 20 0 GIADLO Cc1[nH+]cc(CNc2ccc3c(c2)CCC(=O)N3CC2CC2)n1-c1ccccc1 ZINC000187524641 823081342 /nfs/dbraw/zinc/08/13/42/823081342.db2.gz HRMNIVXWZGBYFP-UHFFFAOYSA-N 1 2 386.499 4.482 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000175962040 823083007 /nfs/dbraw/zinc/08/30/07/823083007.db2.gz MVULONBYEPOBEN-IBGZPJMESA-N 1 2 392.528 4.196 20 0 GIADLO CC(C)CCn1ncc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1C(C)C ZINC000570767171 823083959 /nfs/dbraw/zinc/08/39/59/823083959.db2.gz IHBBRVXSHAXFPI-UHFFFAOYSA-N 1 2 393.535 4.479 20 0 GIADLO COc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc(OC)c1 ZINC000120957068 823092810 /nfs/dbraw/zinc/09/28/10/823092810.db2.gz UHJKRERBCARKDY-AWEZNQCLSA-N 1 2 391.537 4.224 20 0 GIADLO COc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc(OC)c1 ZINC000120957068 823092817 /nfs/dbraw/zinc/09/28/17/823092817.db2.gz UHJKRERBCARKDY-AWEZNQCLSA-N 1 2 391.537 4.224 20 0 GIADLO Cc1ccc2oc(CN(Cc3ccco3)C(=O)[C@H](C)Cc3c[nH]c[nH+]3)cc2c1 ZINC000570860037 823097235 /nfs/dbraw/zinc/09/72/35/823097235.db2.gz ANXILQDXOHIVTI-MRXNPFEDSA-N 1 2 377.444 4.465 20 0 GIADLO Cc1ccc2oc(CN(Cc3ccco3)C(=O)[C@H](C)Cc3c[nH+]c[nH]3)cc2c1 ZINC000570860037 823097242 /nfs/dbraw/zinc/09/72/42/823097242.db2.gz ANXILQDXOHIVTI-MRXNPFEDSA-N 1 2 377.444 4.465 20 0 GIADLO Cc1cc(C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)ccc1Br ZINC000570860552 823097603 /nfs/dbraw/zinc/09/76/03/823097603.db2.gz IVYYRIWEOFGRBZ-CQSZACIVSA-N 1 2 390.325 4.065 20 0 GIADLO Cc1cc(C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)ccc1Br ZINC000570860552 823097609 /nfs/dbraw/zinc/09/76/09/823097609.db2.gz IVYYRIWEOFGRBZ-CQSZACIVSA-N 1 2 390.325 4.065 20 0 GIADLO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000176035151 823102048 /nfs/dbraw/zinc/10/20/48/823102048.db2.gz SXZCBPQNNRPWKR-LJQANCHMSA-N 1 2 383.879 4.059 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C/C=C/c2cccc(F)c2)C[C@H](C)O1 ZINC000176034576 823102103 /nfs/dbraw/zinc/10/21/03/823102103.db2.gz DHIYMZKNMCMZQO-VEZGUZHXSA-N 1 2 382.479 4.477 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C/C=C/c2cccc(F)c2)C[C@H](C)O1 ZINC000176034576 823102109 /nfs/dbraw/zinc/10/21/09/823102109.db2.gz DHIYMZKNMCMZQO-VEZGUZHXSA-N 1 2 382.479 4.477 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC13CCC(C(F)(F)F)(CC1)CC3)C2 ZINC000570897506 823104439 /nfs/dbraw/zinc/10/44/39/823104439.db2.gz IKIHIISIVRSSJF-MDAWKPQNSA-N 1 2 383.458 4.410 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC13CCC(C(F)(F)F)(CC1)CC3)CC2 ZINC000570897506 823104443 /nfs/dbraw/zinc/10/44/43/823104443.db2.gz IKIHIISIVRSSJF-MDAWKPQNSA-N 1 2 383.458 4.410 20 0 GIADLO C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1Cl ZINC000121032027 823106050 /nfs/dbraw/zinc/10/60/50/823106050.db2.gz XXNVOTCVKLAFOA-STQMWFEESA-N 1 2 379.291 4.028 20 0 GIADLO CC1(F)CC(NC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)C1 ZINC000458927725 823107475 /nfs/dbraw/zinc/10/74/75/823107475.db2.gz XXEZFCHDYULZRJ-UHFFFAOYSA-N 1 2 396.869 4.168 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cc(F)ccc3Cl)CC2)cc1 ZINC000176066858 823111201 /nfs/dbraw/zinc/11/12/01/823111201.db2.gz MLRLDTCGRWTIHW-UHFFFAOYSA-N 1 2 390.890 4.336 20 0 GIADLO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121065741 823111722 /nfs/dbraw/zinc/11/17/22/823111722.db2.gz QLCBZFLRHQEDSC-INIZCTEOSA-N 1 2 389.565 4.235 20 0 GIADLO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121065741 823111726 /nfs/dbraw/zinc/11/17/26/823111726.db2.gz QLCBZFLRHQEDSC-INIZCTEOSA-N 1 2 389.565 4.235 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+]([C@H](C)c4cccnc4)CC3)o2)cc1C ZINC000121077434 823114430 /nfs/dbraw/zinc/11/44/30/823114430.db2.gz SZVLOYTZBWASNF-MOPGFXCFSA-N 1 2 391.519 4.188 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000121093668 823117239 /nfs/dbraw/zinc/11/72/39/823117239.db2.gz BRCBNIGWEQKCRQ-INIZCTEOSA-N 1 2 384.549 4.204 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000121093668 823117241 /nfs/dbraw/zinc/11/72/41/823117241.db2.gz BRCBNIGWEQKCRQ-INIZCTEOSA-N 1 2 384.549 4.204 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Oc2ccccc2)o1 ZINC000176099555 823119628 /nfs/dbraw/zinc/11/96/28/823119628.db2.gz GPOCESWQSFAJDU-UHFFFAOYSA-N 1 2 377.444 4.387 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2nc(C(C)(C)C)cs2)CC1 ZINC000121114006 823121006 /nfs/dbraw/zinc/12/10/06/823121006.db2.gz PFICCGNTFCUZFH-AWEZNQCLSA-N 1 2 392.594 4.091 20 0 GIADLO C[N@H+](C[C@H]1CCOC1)Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S ZINC000176103744 823121749 /nfs/dbraw/zinc/12/17/49/823121749.db2.gz CGQHVLWSYXLRJE-OAHLLOKOSA-N 1 2 386.546 4.058 20 0 GIADLO C[N@@H+](C[C@H]1CCOC1)Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S ZINC000176103744 823121751 /nfs/dbraw/zinc/12/17/51/823121751.db2.gz CGQHVLWSYXLRJE-OAHLLOKOSA-N 1 2 386.546 4.058 20 0 GIADLO C[C@@H]1C[N@@H+](CCN2C[C@@H](c3ccsc3)O[C@@H](C)C2)C[C@H](c2ccsc2)O1 ZINC000121120582 823121812 /nfs/dbraw/zinc/12/18/12/823121812.db2.gz LVZBUDUIQMPBKM-NFQUHZNNSA-N 1 2 392.590 4.033 20 0 GIADLO C[C@@H]1C[N@H+](CCN2C[C@@H](c3ccsc3)O[C@@H](C)C2)C[C@H](c2ccsc2)O1 ZINC000121120582 823121814 /nfs/dbraw/zinc/12/18/14/823121814.db2.gz LVZBUDUIQMPBKM-NFQUHZNNSA-N 1 2 392.590 4.033 20 0 GIADLO C[C@@H]1CN(CC[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)C[C@H](c2ccsc2)O1 ZINC000121120582 823121817 /nfs/dbraw/zinc/12/18/17/823121817.db2.gz LVZBUDUIQMPBKM-NFQUHZNNSA-N 1 2 392.590 4.033 20 0 GIADLO C[C@@H]1CN(CC[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)C[C@H](c2ccsc2)O1 ZINC000121120582 823121818 /nfs/dbraw/zinc/12/18/18/823121818.db2.gz LVZBUDUIQMPBKM-NFQUHZNNSA-N 1 2 392.590 4.033 20 0 GIADLO COc1ccccc1Oc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000121166355 823131124 /nfs/dbraw/zinc/13/11/24/823131124.db2.gz GTJIWAPHCFZTCM-UHFFFAOYSA-N 1 2 380.448 4.238 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)[C@@H]2CCSC2)cs1)c1cccc(C)c1C ZINC000121187996 823134962 /nfs/dbraw/zinc/13/49/62/823134962.db2.gz POAXKHYHRBMJJZ-QGZVFWFLSA-N 1 2 375.563 4.382 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)[C@@H]2CCSC2)cs1)c1cccc(C)c1C ZINC000121187996 823134964 /nfs/dbraw/zinc/13/49/64/823134964.db2.gz POAXKHYHRBMJJZ-QGZVFWFLSA-N 1 2 375.563 4.382 20 0 GIADLO Cc1ccc2oc(CN(Cc3ccco3)C(=O)NCCc3cn(C)c[nH+]3)cc2c1 ZINC000459185344 823139981 /nfs/dbraw/zinc/13/99/81/823139981.db2.gz SOLAFRXXNBDNGR-UHFFFAOYSA-N 1 2 392.459 4.022 20 0 GIADLO Cc1nc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)sc1C ZINC000176167014 823141478 /nfs/dbraw/zinc/14/14/78/823141478.db2.gz CARJPWMFZGYSFB-FQEVSTJZSA-N 1 2 386.542 4.043 20 0 GIADLO CCOC1(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCC1 ZINC000571159064 823142253 /nfs/dbraw/zinc/14/22/53/823142253.db2.gz BRTRZZQVUOHJQJ-UHFFFAOYSA-N 1 2 380.492 4.073 20 0 GIADLO Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)sc1Br ZINC000121232303 823143764 /nfs/dbraw/zinc/14/37/64/823143764.db2.gz YHCRAABIVYSDIG-UHFFFAOYSA-N 1 2 393.350 4.167 20 0 GIADLO Cc1cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)sc1Br ZINC000121232303 823143765 /nfs/dbraw/zinc/14/37/65/823143765.db2.gz YHCRAABIVYSDIG-UHFFFAOYSA-N 1 2 393.350 4.167 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1[nH]c2ccccc2c1Cl ZINC000056404384 823144609 /nfs/dbraw/zinc/14/46/09/823144609.db2.gz TWUKRCHLJLPHCQ-UHFFFAOYSA-N 1 2 378.863 4.039 20 0 GIADLO FC(F)(F)c1ccn(-c2ccc(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)cc2)n1 ZINC000187843486 823144895 /nfs/dbraw/zinc/14/48/95/823144895.db2.gz ITAGUNHTQSOQBW-LJQANCHMSA-N 1 2 397.404 4.493 20 0 GIADLO Cc1ccc(-c2ccc(C)c(NC(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)c2)o1 ZINC000571238820 823153469 /nfs/dbraw/zinc/15/34/69/823153469.db2.gz MVISVEKVIGWZLZ-FQEVSTJZSA-N 1 2 397.519 4.282 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000176218897 823155193 /nfs/dbraw/zinc/15/51/93/823155193.db2.gz BNGTXFPMARDLQN-UHFFFAOYSA-N 1 2 390.830 4.337 20 0 GIADLO O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121300583 823158722 /nfs/dbraw/zinc/15/87/22/823158722.db2.gz IMBJNWAVKJRAFP-MRXNPFEDSA-N 1 2 397.862 4.003 20 0 GIADLO Cc1cccc(CCCOCCOC(=O)c2csc(Br)c2)[nH+]1 ZINC000121309402 823160382 /nfs/dbraw/zinc/16/03/82/823160382.db2.gz KFVMWVKJRKKLJT-UHFFFAOYSA-N 1 2 384.295 4.020 20 0 GIADLO C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000459334248 823163207 /nfs/dbraw/zinc/16/32/07/823163207.db2.gz KXRKUNZNAUTXRF-DAXSKMNVSA-N 1 2 386.499 4.264 20 0 GIADLO C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000459334248 823163213 /nfs/dbraw/zinc/16/32/13/823163213.db2.gz KXRKUNZNAUTXRF-DAXSKMNVSA-N 1 2 386.499 4.264 20 0 GIADLO COc1ccccc1Cc1nnc(SCc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000187963505 823164477 /nfs/dbraw/zinc/16/44/77/823164477.db2.gz ZCJFUDSBQQOJLK-UHFFFAOYSA-N 1 2 378.457 4.147 20 0 GIADLO O=C(NCc1ccccc1N1CCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000056553805 823168227 /nfs/dbraw/zinc/16/82/27/823168227.db2.gz COLBACNCUXZEQU-UHFFFAOYSA-N 1 2 399.564 4.051 20 0 GIADLO Cn1c[nH+]cc1CCNC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC000121351223 823168449 /nfs/dbraw/zinc/16/84/49/823168449.db2.gz XCIJEGVPQVMDID-IBGZPJMESA-N 1 2 385.920 4.266 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2Cc3ccc(Cl)cc3C2)C[C@H](C)O1 ZINC000459358028 823170785 /nfs/dbraw/zinc/17/07/85/823170785.db2.gz MSGJQCGQCGEHNE-HOTGVXAUSA-N 1 2 399.922 4.497 20 0 GIADLO CC1CCN(c2ccc(NC(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)CC1 ZINC000056592830 823176769 /nfs/dbraw/zinc/17/67/69/823176769.db2.gz LSXKLLXNBXANOE-UHFFFAOYSA-N 1 2 389.503 4.430 20 0 GIADLO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000459401040 823184173 /nfs/dbraw/zinc/18/41/73/823184173.db2.gz NHDVSOPRFYEJEG-KRWDZBQOSA-N 1 2 396.466 4.196 20 0 GIADLO Oc1cccc(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1Br ZINC000459401860 823184821 /nfs/dbraw/zinc/18/48/21/823184821.db2.gz YNURDNXGBDOAHY-SJLPKXTDSA-N 1 2 380.257 4.304 20 0 GIADLO CCC[N@H+](Cc1cc(C(=O)OC)c(CC)o1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000571465929 823186838 /nfs/dbraw/zinc/18/68/38/823186838.db2.gz BNNZJQMBYQLITQ-INIZCTEOSA-N 1 2 386.492 4.176 20 0 GIADLO CCC[N@@H+](Cc1cc(C(=O)OC)c(CC)o1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000571465929 823186840 /nfs/dbraw/zinc/18/68/40/823186840.db2.gz BNNZJQMBYQLITQ-INIZCTEOSA-N 1 2 386.492 4.176 20 0 GIADLO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2O1 ZINC000188104453 823187039 /nfs/dbraw/zinc/18/70/39/823187039.db2.gz IKWVXSYNXQGVEV-WBVHZDCISA-N 1 2 384.480 4.286 20 0 GIADLO C[C@@H]1[C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCN1c1ccccc1 ZINC000571445001 823183600 /nfs/dbraw/zinc/18/36/00/823183600.db2.gz PTTSQDNWUXSZGK-DYESRHJHSA-N 1 2 385.471 4.364 20 0 GIADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@H](Cc3[nH+]ccn3C)C1)CC2 ZINC000188155828 823195370 /nfs/dbraw/zinc/19/53/70/823195370.db2.gz JUIHMVWEPQDKQS-UTKZUKDTSA-N 1 2 380.536 4.195 20 0 GIADLO COc1cccc(C2([NH2+]Cc3csc(-c4ccccn4)n3)CCOCC2)c1F ZINC000571490649 823191086 /nfs/dbraw/zinc/19/10/86/823191086.db2.gz SCNZIQKJWLTZHU-UHFFFAOYSA-N 1 2 399.491 4.148 20 0 GIADLO COc1ccc(OC(F)F)c(C[NH2+]Cc2cccc(O)c2Br)c1 ZINC000459434265 823191646 /nfs/dbraw/zinc/19/16/46/823191646.db2.gz HQCZRGHFNOJZKV-UHFFFAOYSA-N 1 2 388.208 4.055 20 0 GIADLO Oc1cccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c1Br ZINC000459443018 823193061 /nfs/dbraw/zinc/19/30/61/823193061.db2.gz AYEJSTYFKHLZFU-UHFFFAOYSA-N 1 2 398.247 4.228 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)c[nH+]1 ZINC000571515555 823194798 /nfs/dbraw/zinc/19/47/98/823194798.db2.gz GEPJSKRIVOXJPH-UHFFFAOYSA-N 1 2 383.492 4.134 20 0 GIADLO C[C@H](CNC(=O)[C@H](Sc1ccccc1F)c1ccccc1)Cn1cc[nH+]c1 ZINC000176404421 823201019 /nfs/dbraw/zinc/20/10/19/823201019.db2.gz PPERTGOKSDHOBQ-OXQOHEQNSA-N 1 2 383.492 4.308 20 0 GIADLO CSCc1cccc(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000188166931 823196919 /nfs/dbraw/zinc/19/69/19/823196919.db2.gz AZMCBULODAUKSB-UHFFFAOYSA-N 1 2 396.516 4.147 20 0 GIADLO COc1cc(C)c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1OC ZINC000176460952 823212370 /nfs/dbraw/zinc/21/23/70/823212370.db2.gz MSBVJHBANYCJFQ-UHFFFAOYSA-N 1 2 391.471 4.464 20 0 GIADLO C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000121587602 823211660 /nfs/dbraw/zinc/21/16/60/823211660.db2.gz XSHFFPAFMLKZQG-JTQLQIEISA-N 1 2 376.280 4.387 20 0 GIADLO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)[C@H]1Sc1ccccc1 ZINC000459533436 823213655 /nfs/dbraw/zinc/21/36/55/823213655.db2.gz VPRJEDPWRVWGGV-MWQQHZPXSA-N 1 2 375.538 4.356 20 0 GIADLO CC[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000121612199 823215946 /nfs/dbraw/zinc/21/59/46/823215946.db2.gz ITQXKOFFHPVRNR-MSOLQXFVSA-N 1 2 378.394 4.274 20 0 GIADLO Cc1cc2nn(CN3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c(=S)n2c2ccccc12 ZINC000121633918 823220034 /nfs/dbraw/zinc/22/00/34/823220034.db2.gz HIFDODGGZRIFLY-DNVCBOLYSA-N 1 2 392.532 4.064 20 0 GIADLO COc1ccc([C@H]2C[C@H](C)C[N@@H+]2Cc2csc(N(C(C)=O)C3CC3)n2)cc1 ZINC000121653427 823223098 /nfs/dbraw/zinc/22/30/98/823223098.db2.gz GOYNJPWWBVKLKB-VBKZILBWSA-N 1 2 385.533 4.250 20 0 GIADLO COc1ccc([C@H]2C[C@H](C)C[N@H+]2Cc2csc(N(C(C)=O)C3CC3)n2)cc1 ZINC000121653427 823223104 /nfs/dbraw/zinc/22/31/04/823223104.db2.gz GOYNJPWWBVKLKB-VBKZILBWSA-N 1 2 385.533 4.250 20 0 GIADLO Oc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2ccnc2)c1Br ZINC000459552156 823218939 /nfs/dbraw/zinc/21/89/39/823218939.db2.gz RRJQXVJMLXNQIF-YLJYHZDGSA-N 1 2 398.304 4.370 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(CSCc2ccccc2)no1 ZINC000571721378 823224902 /nfs/dbraw/zinc/22/49/02/823224902.db2.gz RAUFRVWGKKNOJN-UHFFFAOYSA-N 1 2 386.427 4.488 20 0 GIADLO CS(=O)(=O)C[C@H]1CCC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459582668 823224951 /nfs/dbraw/zinc/22/49/51/823224951.db2.gz FDQKCKAPPULHHS-AEZSJILPSA-N 1 2 399.556 4.035 20 0 GIADLO CS(=O)(=O)C[C@H]1CCC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459582668 823224953 /nfs/dbraw/zinc/22/49/53/823224953.db2.gz FDQKCKAPPULHHS-AEZSJILPSA-N 1 2 399.556 4.035 20 0 GIADLO CS(=O)(=O)C[C@@H]1CCC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459582672 823225091 /nfs/dbraw/zinc/22/50/91/823225091.db2.gz FDQKCKAPPULHHS-FSNDINTDSA-N 1 2 399.556 4.035 20 0 GIADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459582672 823225100 /nfs/dbraw/zinc/22/51/00/823225100.db2.gz FDQKCKAPPULHHS-FSNDINTDSA-N 1 2 399.556 4.035 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000571724415 823225472 /nfs/dbraw/zinc/22/54/72/823225472.db2.gz JGTMHLSHOCKIAT-MRXNPFEDSA-N 1 2 385.265 4.466 20 0 GIADLO Cc1ccc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000121666094 823225795 /nfs/dbraw/zinc/22/57/95/823225795.db2.gz YJPXWOVSRWRATK-CALCHBBNSA-N 1 2 385.483 4.065 20 0 GIADLO Cc1ccc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000121666094 823225799 /nfs/dbraw/zinc/22/57/99/823225799.db2.gz YJPXWOVSRWRATK-CALCHBBNSA-N 1 2 385.483 4.065 20 0 GIADLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000121672672 823227542 /nfs/dbraw/zinc/22/75/42/823227542.db2.gz YXZXGHLAMMMBSI-ZIAGYGMSSA-N 1 2 381.455 4.085 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1CCc2c1cccc2Cl ZINC000056901498 823230082 /nfs/dbraw/zinc/23/00/82/823230082.db2.gz BNDLUFIRTBWJON-FQEVSTJZSA-N 1 2 380.879 4.072 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)[C@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)[nH+]c12 ZINC000176537453 823231872 /nfs/dbraw/zinc/23/18/72/823231872.db2.gz VBCRPTRBEPDVRV-WVDZOPJMSA-N 1 2 397.544 4.216 20 0 GIADLO CCn1c(=S)n(CN2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc1-c1cccc(C)c1 ZINC000121693967 823231896 /nfs/dbraw/zinc/23/18/96/823231896.db2.gz FACLTAQSZQFRSE-IEBWSBKVSA-N 1 2 396.564 4.147 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000056931642 823232244 /nfs/dbraw/zinc/23/22/44/823232244.db2.gz JAZHFLVCCRPQEO-CVEARBPZSA-N 1 2 382.439 4.263 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cc(F)ccc1OC(F)F ZINC000121722955 823237322 /nfs/dbraw/zinc/23/73/22/823237322.db2.gz ZCZXSSBNRLMIMK-UHFFFAOYSA-N 1 2 394.328 4.074 20 0 GIADLO CCO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658064 823242545 /nfs/dbraw/zinc/24/25/45/823242545.db2.gz ITVQKMUDMLYLKG-ZFWWWQNUSA-N 1 2 392.487 4.422 20 0 GIADLO CCO[C@@H](C)c1nc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658064 823242550 /nfs/dbraw/zinc/24/25/50/823242550.db2.gz ITVQKMUDMLYLKG-ZFWWWQNUSA-N 1 2 392.487 4.422 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Cc2ccc(C)s2)cc1 ZINC000057031304 823241305 /nfs/dbraw/zinc/24/13/05/823241305.db2.gz PHZZCPTYECVDBS-UHFFFAOYSA-N 1 2 397.544 4.313 20 0 GIADLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(SC(F)F)cc3)c2)CC1 ZINC000057054741 823244033 /nfs/dbraw/zinc/24/40/33/823244033.db2.gz SCXAYNGCBOBQHY-UHFFFAOYSA-N 1 2 391.487 4.001 20 0 GIADLO Cc1cnn([C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3Br)C2)c1 ZINC000571848221 823244925 /nfs/dbraw/zinc/24/49/25/823244925.db2.gz PFEQDBQOLYMSAP-CQSZACIVSA-N 1 2 388.231 4.420 20 0 GIADLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3Br)C2)c1 ZINC000571848221 823244932 /nfs/dbraw/zinc/24/49/32/823244932.db2.gz PFEQDBQOLYMSAP-CQSZACIVSA-N 1 2 388.231 4.420 20 0 GIADLO CN(C)[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000188480159 823247638 /nfs/dbraw/zinc/24/76/38/823247638.db2.gz JPQGEZMVDMDEGS-RBUKOAKNSA-N 1 2 388.437 4.410 20 0 GIADLO CC[N@H+](C)[C@H](C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000121784363 823250834 /nfs/dbraw/zinc/25/08/34/823250834.db2.gz RLMQPIGZJRJXFJ-SFHVURJKSA-N 1 2 385.851 4.126 20 0 GIADLO CC[N@@H+](C)[C@H](C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000121784363 823250840 /nfs/dbraw/zinc/25/08/40/823250840.db2.gz RLMQPIGZJRJXFJ-SFHVURJKSA-N 1 2 385.851 4.126 20 0 GIADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000188495528 823250921 /nfs/dbraw/zinc/25/09/21/823250921.db2.gz LZLRMVYOJZDTDR-UHFFFAOYSA-N 1 2 376.485 4.192 20 0 GIADLO CS(=O)(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)c1ccccc1 ZINC000188503337 823252296 /nfs/dbraw/zinc/25/22/96/823252296.db2.gz SRSAKNHYKIXJGN-MRXNPFEDSA-N 1 2 391.842 4.234 20 0 GIADLO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000121814957 823256674 /nfs/dbraw/zinc/25/66/74/823256674.db2.gz GUXDQFTUXPIFQF-INIZCTEOSA-N 1 2 398.457 4.155 20 0 GIADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000459723306 823256853 /nfs/dbraw/zinc/25/68/53/823256853.db2.gz VPNISNLXUATTKQ-INIZCTEOSA-N 1 2 383.517 4.455 20 0 GIADLO CCOC[C@@H]1CCCC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000459723306 823256859 /nfs/dbraw/zinc/25/68/59/823256859.db2.gz VPNISNLXUATTKQ-INIZCTEOSA-N 1 2 383.517 4.455 20 0 GIADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)c2cccnc12)c1cccs1 ZINC000121861472 823265022 /nfs/dbraw/zinc/26/50/22/823265022.db2.gz NDUAELWSUBCGEI-QAPCUYQASA-N 1 2 388.920 4.274 20 0 GIADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccc(Cl)c2cccnc12)c1cccs1 ZINC000121861472 823265029 /nfs/dbraw/zinc/26/50/29/823265029.db2.gz NDUAELWSUBCGEI-QAPCUYQASA-N 1 2 388.920 4.274 20 0 GIADLO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c3ccn(C)n3)ccc21 ZINC000459786806 823265249 /nfs/dbraw/zinc/26/52/49/823265249.db2.gz KYFOFDIMPFSZJB-HZPDHXFCSA-N 1 2 389.503 4.226 20 0 GIADLO COc1ccc(OC)c(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000003541890 817481150 /nfs/dbraw/zinc/48/11/50/817481150.db2.gz RVYXYXCTITULGV-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1ccc(OC)c(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000003541890 817481157 /nfs/dbraw/zinc/48/11/57/817481157.db2.gz RVYXYXCTITULGV-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO C[C@@H]([C@H](C)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCCC1 ZINC000176687110 823268135 /nfs/dbraw/zinc/26/81/35/823268135.db2.gz MDRYDHHOVUCPJV-ROUUACIJSA-N 1 2 396.535 4.247 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000121878870 823268580 /nfs/dbraw/zinc/26/85/80/823268580.db2.gz HUMBTAFPTVNHQD-MEBBXXQBSA-N 1 2 399.239 4.039 20 0 GIADLO CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc3[nH+]c(C)cn3c1)CC2 ZINC000572048158 823274012 /nfs/dbraw/zinc/27/40/12/823274012.db2.gz FQABVZBMLMCIFI-UHFFFAOYSA-N 1 2 394.475 4.030 20 0 GIADLO Cc1nc(C(C)C)ccc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000460015765 823279337 /nfs/dbraw/zinc/27/93/37/823279337.db2.gz UTHQPFHLAQBYJD-IAGOWNOFSA-N 1 2 381.520 4.375 20 0 GIADLO Cc1cc(N)nc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)[nH+]1 ZINC000007047822 817746792 /nfs/dbraw/zinc/74/67/92/817746792.db2.gz QBLFCVRVLGYUEB-UHFFFAOYSA-N 1 2 377.684 4.058 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000409706519 823287361 /nfs/dbraw/zinc/28/73/61/823287361.db2.gz FGHHNBULTQSXLM-UHFFFAOYSA-N 1 2 378.398 4.412 20 0 GIADLO Clc1ccc(-n2c(C[NH+]3CCCC3)nnc2SCc2cccnc2)cc1 ZINC000122026424 823295330 /nfs/dbraw/zinc/29/53/30/823295330.db2.gz YUCDRWHONSUCKJ-UHFFFAOYSA-N 1 2 385.924 4.204 20 0 GIADLO Cc1cc(O[C@@H](C)C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ccc1Cl ZINC000572186213 823296648 /nfs/dbraw/zinc/29/66/48/823296648.db2.gz SAAJZQGITKOWJE-ULQDDVLXSA-N 1 2 387.911 4.350 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000007739503 817905785 /nfs/dbraw/zinc/90/57/85/817905785.db2.gz MVXBMMSQXFBKKK-HXUWFJFHSA-N 1 2 382.504 4.350 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000007739503 817905791 /nfs/dbraw/zinc/90/57/91/817905791.db2.gz MVXBMMSQXFBKKK-HXUWFJFHSA-N 1 2 382.504 4.350 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C1(Cc2cccs2)CCCCC1 ZINC000572208628 823300319 /nfs/dbraw/zinc/30/03/19/823300319.db2.gz WRJIKPUROYBNRL-UHFFFAOYSA-N 1 2 383.561 4.421 20 0 GIADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000122081879 823303272 /nfs/dbraw/zinc/30/32/72/823303272.db2.gz QWQURTJWMHCZOU-DLBZAZTESA-N 1 2 392.528 4.477 20 0 GIADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000122081879 823303276 /nfs/dbraw/zinc/30/32/76/823303276.db2.gz QWQURTJWMHCZOU-DLBZAZTESA-N 1 2 392.528 4.477 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)cc2)c1 ZINC000007915671 817957538 /nfs/dbraw/zinc/95/75/38/817957538.db2.gz QHKLFJWNVYSQLR-ZDUSSCGKSA-N 1 2 389.293 4.111 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)cc2)c1 ZINC000007915671 817957544 /nfs/dbraw/zinc/95/75/44/817957544.db2.gz QHKLFJWNVYSQLR-ZDUSSCGKSA-N 1 2 389.293 4.111 20 0 GIADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000122082296 823303577 /nfs/dbraw/zinc/30/35/77/823303577.db2.gz QWQURTJWMHCZOU-IAGOWNOFSA-N 1 2 392.528 4.477 20 0 GIADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000122082296 823303585 /nfs/dbraw/zinc/30/35/85/823303585.db2.gz QWQURTJWMHCZOU-IAGOWNOFSA-N 1 2 392.528 4.477 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000176847761 823308575 /nfs/dbraw/zinc/30/85/75/823308575.db2.gz CWYHEVGDBJWWFZ-UHFFFAOYSA-N 1 2 385.533 4.148 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000176847761 823308581 /nfs/dbraw/zinc/30/85/81/823308581.db2.gz CWYHEVGDBJWWFZ-UHFFFAOYSA-N 1 2 385.533 4.148 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000008164448 818009891 /nfs/dbraw/zinc/00/98/91/818009891.db2.gz HXNNHCRBFLXRQF-UHFFFAOYSA-N 1 2 381.339 4.452 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000008164448 818009901 /nfs/dbraw/zinc/00/99/01/818009901.db2.gz HXNNHCRBFLXRQF-UHFFFAOYSA-N 1 2 381.339 4.452 20 0 GIADLO Cc1ccc(-c2nc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cs2)c(C)c1 ZINC000572252389 823307807 /nfs/dbraw/zinc/30/78/07/823307807.db2.gz BPHBJORLDTYSBI-CRAIPNDOSA-N 1 2 396.516 4.403 20 0 GIADLO Cc1ccc(-c2nc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)cs2)c(C)c1 ZINC000572252389 823307813 /nfs/dbraw/zinc/30/78/13/823307813.db2.gz BPHBJORLDTYSBI-CRAIPNDOSA-N 1 2 396.516 4.403 20 0 GIADLO COc1ccc(Oc2cc(C[NH2+]Cc3ncc(CSC)s3)ccn2)cc1 ZINC000572261793 823309257 /nfs/dbraw/zinc/30/92/57/823309257.db2.gz HFGHADFCONHAPC-UHFFFAOYSA-N 1 2 387.530 4.492 20 0 GIADLO CSCc1cnc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 ZINC000572292830 823314858 /nfs/dbraw/zinc/31/48/58/823314858.db2.gz UNSXMNJMKXLCDE-LBPRGKRZSA-N 1 2 376.526 4.490 20 0 GIADLO Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cn1 ZINC000122143107 823312404 /nfs/dbraw/zinc/31/24/04/823312404.db2.gz PGUTYWJFYGCBRH-UHFFFAOYSA-N 1 2 375.472 4.078 20 0 GIADLO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cn1 ZINC000122143107 823312409 /nfs/dbraw/zinc/31/24/09/823312409.db2.gz PGUTYWJFYGCBRH-UHFFFAOYSA-N 1 2 375.472 4.078 20 0 GIADLO COc1ccccc1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000012132553 818143711 /nfs/dbraw/zinc/14/37/11/818143711.db2.gz YAFCGVHYSCUYQC-UHFFFAOYSA-N 1 2 380.517 4.164 20 0 GIADLO C[C@@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000409826808 823318327 /nfs/dbraw/zinc/31/83/27/823318327.db2.gz FSOKKKGNFJGHLM-HYBUGGRVSA-N 1 2 387.527 4.394 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)cc1 ZINC000013000653 818200044 /nfs/dbraw/zinc/20/00/44/818200044.db2.gz QLETYASLZSOBJD-UHFFFAOYSA-N 1 2 387.863 4.172 20 0 GIADLO O=C(Nc1ccc(Br)cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000409831184 823319465 /nfs/dbraw/zinc/31/94/65/823319465.db2.gz GMQAXTXDIIFLER-QGZVFWFLSA-N 1 2 391.334 4.178 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2ccc(OCC3CC3)nc2)no1)c1cccc(Cl)c1 ZINC000572321934 823319831 /nfs/dbraw/zinc/31/98/31/823319831.db2.gz DBCRJUJQINYCES-SFHVURJKSA-N 1 2 384.867 4.225 20 0 GIADLO Cc1ccccc1-c1cc(NC(=O)CCc2c[nH+]cn2C)n(Cc2ccccc2)n1 ZINC000188872746 823321124 /nfs/dbraw/zinc/32/11/24/823321124.db2.gz QXYNKUCJFRKKAL-UHFFFAOYSA-N 1 2 399.498 4.212 20 0 GIADLO O=C(NC1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1)c1ccccc1 ZINC000014708441 818260167 /nfs/dbraw/zinc/26/01/67/818260167.db2.gz OWFDZLWAIJWWDD-UHFFFAOYSA-N 1 2 383.542 4.266 20 0 GIADLO CC(C)[C@@H](CNC(=O)N1CCn2c[nH+]cc2C1)Cc1ccc(Cl)cc1Cl ZINC000460226965 823323657 /nfs/dbraw/zinc/32/36/57/823323657.db2.gz KDCUNHFVMBVPMG-OAHLLOKOSA-N 1 2 395.334 4.230 20 0 GIADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(OC)c(Br)c1 ZINC000015295026 818307680 /nfs/dbraw/zinc/30/76/80/818307680.db2.gz BDHAEMGQXVRADE-UHFFFAOYSA-N 1 2 391.309 4.091 20 0 GIADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(OC)c(Br)c1 ZINC000015295026 818307686 /nfs/dbraw/zinc/30/76/86/818307686.db2.gz BDHAEMGQXVRADE-UHFFFAOYSA-N 1 2 391.309 4.091 20 0 GIADLO CCN(C(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2)c1cccc2ccccc21 ZINC000015304719 818310750 /nfs/dbraw/zinc/31/07/50/818310750.db2.gz SNSRSBOLRNWNLB-UHFFFAOYSA-N 1 2 390.483 4.096 20 0 GIADLO CCN(C(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2)c1cccc2ccccc21 ZINC000015304719 818310757 /nfs/dbraw/zinc/31/07/57/818310757.db2.gz SNSRSBOLRNWNLB-UHFFFAOYSA-N 1 2 390.483 4.096 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)Cc1cccs1 ZINC000015450912 818326341 /nfs/dbraw/zinc/32/63/41/818326341.db2.gz ZTEVKNCDAWMFIQ-UHFFFAOYSA-N 1 2 397.475 4.210 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)Cc1cccs1 ZINC000015450912 818326347 /nfs/dbraw/zinc/32/63/47/818326347.db2.gz ZTEVKNCDAWMFIQ-UHFFFAOYSA-N 1 2 397.475 4.210 20 0 GIADLO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCc2ccccc21 ZINC000015548602 818337095 /nfs/dbraw/zinc/33/70/95/818337095.db2.gz GLJOMTABMAMRLZ-OAQYLSRUSA-N 1 2 380.538 4.346 20 0 GIADLO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCc2ccccc21 ZINC000015548602 818337103 /nfs/dbraw/zinc/33/71/03/818337103.db2.gz GLJOMTABMAMRLZ-OAQYLSRUSA-N 1 2 380.538 4.346 20 0 GIADLO Cc1cccc2nc(C3CC[NH+](Cn4c(=O)sc5c4CC[C@@H](C)C5)CC3)oc21 ZINC000188952740 823333155 /nfs/dbraw/zinc/33/31/55/823333155.db2.gz AYFGAMOOYOESKM-CQSZACIVSA-N 1 2 397.544 4.321 20 0 GIADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1 ZINC000460266183 823334904 /nfs/dbraw/zinc/33/49/04/823334904.db2.gz RXUNOGCMSPBHKH-UHFFFAOYSA-N 1 2 397.438 4.080 20 0 GIADLO Cc1ccc([C@@H](NC(=O)N2CCn3c[nH+]cc3C2)c2ccc(F)cc2Cl)cc1 ZINC000460266661 823335127 /nfs/dbraw/zinc/33/51/27/823335127.db2.gz NMONAVJJCXTUEQ-HXUWFJFHSA-N 1 2 398.869 4.299 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)CC2 ZINC000016418891 818440428 /nfs/dbraw/zinc/44/04/28/818440428.db2.gz GIDUJADMWLGPQO-QGZVFWFLSA-N 1 2 382.504 4.178 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@H+]([C@H](C)C(=O)Nc1ccccc1C)CC2 ZINC000016418891 818440430 /nfs/dbraw/zinc/44/04/30/818440430.db2.gz GIDUJADMWLGPQO-QGZVFWFLSA-N 1 2 382.504 4.178 20 0 GIADLO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000016479503 818447702 /nfs/dbraw/zinc/44/77/02/818447702.db2.gz JSVWTZLVRBQWAS-UHFFFAOYSA-N 1 2 389.474 4.253 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 ZINC000016591012 818456999 /nfs/dbraw/zinc/45/69/99/818456999.db2.gz GJNKFWWZTGLZMK-LBPRGKRZSA-N 1 2 397.302 4.470 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 ZINC000016591012 818457002 /nfs/dbraw/zinc/45/70/02/818457002.db2.gz GJNKFWWZTGLZMK-LBPRGKRZSA-N 1 2 397.302 4.470 20 0 GIADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000017371532 818514098 /nfs/dbraw/zinc/51/40/98/818514098.db2.gz ZCKYJYGIHMVHKR-UHFFFAOYSA-N 1 2 393.314 4.268 20 0 GIADLO O=C(c1ccc(OCc2ccccc2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000017799043 818528098 /nfs/dbraw/zinc/52/80/98/818528098.db2.gz WXWZVLAGOLUSCF-UHFFFAOYSA-N 1 2 392.524 4.285 20 0 GIADLO CN1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)c2cc(Cl)ccc21 ZINC000460299555 823345159 /nfs/dbraw/zinc/34/51/59/823345159.db2.gz KUEFNDNFYIOFHB-UHFFFAOYSA-N 1 2 380.879 4.072 20 0 GIADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000122377666 823346106 /nfs/dbraw/zinc/34/61/06/823346106.db2.gz COVJNYOXBLAEAL-UHFFFAOYSA-N 1 2 393.487 4.116 20 0 GIADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000122377666 823346114 /nfs/dbraw/zinc/34/61/14/823346114.db2.gz COVJNYOXBLAEAL-UHFFFAOYSA-N 1 2 393.487 4.116 20 0 GIADLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000020543280 818625156 /nfs/dbraw/zinc/62/51/56/818625156.db2.gz XLSCIGZZYDNPCP-UHFFFAOYSA-N 1 2 393.409 4.064 20 0 GIADLO Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2cccc3[nH+]ccn32)c2ccccc2)cc1 ZINC000460337633 823357490 /nfs/dbraw/zinc/35/74/90/823357490.db2.gz WURBWXDBEDJYTB-FQEVSTJZSA-N 1 2 398.466 4.143 20 0 GIADLO O=C(Nc1ccc(OC2CCCC2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000058087683 823361331 /nfs/dbraw/zinc/36/13/31/823361331.db2.gz AXKBOMKCUVJRFY-UHFFFAOYSA-N 1 2 385.533 4.419 20 0 GIADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000460347938 823360275 /nfs/dbraw/zinc/36/02/75/823360275.db2.gz DYDVKIOHYBMTTD-UTKZUKDTSA-N 1 2 386.561 4.236 20 0 GIADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000460347938 823360280 /nfs/dbraw/zinc/36/02/80/823360280.db2.gz DYDVKIOHYBMTTD-UTKZUKDTSA-N 1 2 386.561 4.236 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3cc4c(c(Cl)c3)OCO4)n2)CC1 ZINC000022291724 818790729 /nfs/dbraw/zinc/79/07/29/818790729.db2.gz DCAPWLIETCJOEO-UHFFFAOYSA-N 1 2 393.896 4.009 20 0 GIADLO CC(C)[C@H]1C[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO1 ZINC000572596827 823367246 /nfs/dbraw/zinc/36/72/46/823367246.db2.gz LJKLYFLYHLZXES-DYESRHJHSA-N 1 2 396.535 4.459 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2Cn2c(=S)[nH]nc2Cc2cccs2)cc1 ZINC000058205023 823368232 /nfs/dbraw/zinc/36/82/32/823368232.db2.gz YAFIEVUQQMPQCH-KRWDZBQOSA-N 1 2 386.546 4.396 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2Cn2c(=S)[nH]nc2Cc2cccs2)cc1 ZINC000058205023 823368239 /nfs/dbraw/zinc/36/82/39/823368239.db2.gz YAFIEVUQQMPQCH-KRWDZBQOSA-N 1 2 386.546 4.396 20 0 GIADLO CC[NH+](CC)[C@@H](CN[C@H](c1nc[nH]n1)c1ccccc1)c1ccccc1Cl ZINC000572639477 823373132 /nfs/dbraw/zinc/37/31/32/823373132.db2.gz JKISLFGSMNJKBL-PMACEKPBSA-N 1 2 383.927 4.220 20 0 GIADLO COc1ccc(OCc2nc(C[NH+]3CCC([C@@H]4CCCO4)CC3)cs2)cc1 ZINC000189166968 823369080 /nfs/dbraw/zinc/36/90/80/823369080.db2.gz VFQZYNVHAXESCP-FQEVSTJZSA-N 1 2 388.533 4.122 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2OC(F)(F)F)cc1 ZINC000022966546 818881137 /nfs/dbraw/zinc/88/11/37/818881137.db2.gz UIRHGUBCNMBWTR-ZDUSSCGKSA-N 1 2 382.382 4.053 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2OC(F)(F)F)cc1 ZINC000022966546 818881145 /nfs/dbraw/zinc/88/11/45/818881145.db2.gz UIRHGUBCNMBWTR-ZDUSSCGKSA-N 1 2 382.382 4.053 20 0 GIADLO C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C[C@H](C)O1 ZINC000572620620 823370494 /nfs/dbraw/zinc/37/04/94/823370494.db2.gz PRSGOZOLLGJCLM-PEWUMXJESA-N 1 2 396.535 4.005 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058290310 823375274 /nfs/dbraw/zinc/37/52/74/823375274.db2.gz HXQSODUHCPUNIQ-OAHLLOKOSA-N 1 2 385.895 4.018 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3CCCC(F)(F)C3)n2)C1 ZINC000410051717 823380438 /nfs/dbraw/zinc/38/04/38/823380438.db2.gz JQDJOPICWRXHFC-ZIAGYGMSSA-N 1 2 386.512 4.322 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3CCCC(F)(F)C3)n2)C1 ZINC000410051717 823380443 /nfs/dbraw/zinc/38/04/43/823380443.db2.gz JQDJOPICWRXHFC-ZIAGYGMSSA-N 1 2 386.512 4.322 20 0 GIADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000189246295 823381163 /nfs/dbraw/zinc/38/11/63/823381163.db2.gz MTYFWTJHPVOWHU-UHFFFAOYSA-N 1 2 383.407 4.266 20 0 GIADLO Cc1ccc(OCC[N@@H+](C)Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000024339663 819048077 /nfs/dbraw/zinc/04/80/77/819048077.db2.gz WJIIFKQPYWLNBR-UHFFFAOYSA-N 1 2 395.484 4.064 20 0 GIADLO Cc1ccc(OCC[N@H+](C)Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000024339663 819048086 /nfs/dbraw/zinc/04/80/86/819048086.db2.gz WJIIFKQPYWLNBR-UHFFFAOYSA-N 1 2 395.484 4.064 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000058414627 823387664 /nfs/dbraw/zinc/38/76/64/823387664.db2.gz RPFBRSYCFXBUAW-UHFFFAOYSA-N 1 2 395.894 4.045 20 0 GIADLO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC000177164121 823388087 /nfs/dbraw/zinc/38/80/87/823388087.db2.gz VCAFJDRCTYHCLT-AWEZNQCLSA-N 1 2 378.929 4.139 20 0 GIADLO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC000177164121 823388094 /nfs/dbraw/zinc/38/80/94/823388094.db2.gz VCAFJDRCTYHCLT-AWEZNQCLSA-N 1 2 378.929 4.139 20 0 GIADLO CSc1ccccc1[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000410102758 823392502 /nfs/dbraw/zinc/39/25/02/823392502.db2.gz DTPQCFQRECZCNX-CQSZACIVSA-N 1 2 384.480 4.294 20 0 GIADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000177176185 823391650 /nfs/dbraw/zinc/39/16/50/823391650.db2.gz RTPFBKBOFFFZNS-HNNXBMFYSA-N 1 2 391.475 4.011 20 0 GIADLO COc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(OCCC(C)C)c1 ZINC000189340553 823397079 /nfs/dbraw/zinc/39/70/79/823397079.db2.gz WBTGPAQBICXNFO-XLIONFOSSA-N 1 2 385.508 4.040 20 0 GIADLO Clc1cc(Cl)c2nc(CNc3ccccc3C[NH+]3CCOCC3)cn2c1 ZINC000177213308 823400813 /nfs/dbraw/zinc/40/08/13/823400813.db2.gz RZVQQWUVXQHGQB-UHFFFAOYSA-N 1 2 391.302 4.085 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc(O)ccc1C(F)(F)F ZINC000189366140 823401714 /nfs/dbraw/zinc/40/17/14/823401714.db2.gz KUZKSBLIOVCSON-UHFFFAOYSA-N 1 2 393.409 4.116 20 0 GIADLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2n1C(F)F ZINC000410182861 823413272 /nfs/dbraw/zinc/41/32/72/823413272.db2.gz UURIFIWTSMAGSO-CQSZACIVSA-N 1 2 395.413 4.167 20 0 GIADLO COc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c(C)c1OC ZINC000572920780 823419644 /nfs/dbraw/zinc/41/96/44/823419644.db2.gz KSSKCERBYNKNPR-UHFFFAOYSA-N 1 2 391.515 4.010 20 0 GIADLO Cc1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1C(F)(F)F ZINC000572923933 823420478 /nfs/dbraw/zinc/42/04/78/823420478.db2.gz WRPRPRHRRRENDL-UHFFFAOYSA-N 1 2 381.379 4.000 20 0 GIADLO COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(Cn3cc[nH+]c3)c1)[C@@H]2C ZINC000573004479 823432392 /nfs/dbraw/zinc/43/23/92/823432392.db2.gz DTYIOYIHQDDGEU-IAGOWNOFSA-N 1 2 375.472 4.088 20 0 GIADLO O=C(CCC(=O)c1ccc2ccccc2c1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024749588 819872912 /nfs/dbraw/zinc/87/29/12/819872912.db2.gz VOJJCDSNEBNNJZ-UHFFFAOYSA-N 1 2 397.478 4.364 20 0 GIADLO Cc1cccc(OCCCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410257809 823437105 /nfs/dbraw/zinc/43/71/05/823437105.db2.gz SNUUMVURGFAPHK-LJQANCHMSA-N 1 2 381.520 4.093 20 0 GIADLO Cc1cc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)no1 ZINC000025033969 819912649 /nfs/dbraw/zinc/91/26/49/819912649.db2.gz YYKVQOUMGWIVLU-UHFFFAOYSA-N 1 2 390.896 4.064 20 0 GIADLO C[C@@H](CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Cc1cccc(F)c1 ZINC000410265664 823440512 /nfs/dbraw/zinc/44/05/12/823440512.db2.gz OAMGHPVIZWKFIU-MJGOQNOKSA-N 1 2 383.511 4.333 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000025062411 819918722 /nfs/dbraw/zinc/91/87/22/819918722.db2.gz ZCIRSOOLPUXTJA-SFHVURJKSA-N 1 2 394.515 4.234 20 0 GIADLO Fc1cc(F)cc(C[NH2+]Cc2c(Br)cncc2Br)c1 ZINC000573051122 823440615 /nfs/dbraw/zinc/44/06/15/823440615.db2.gz CQFKZWAIVPKVMI-UHFFFAOYSA-N 1 2 392.041 4.175 20 0 GIADLO O=C(c1ccccc1OC(F)(F)F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410265998 823440688 /nfs/dbraw/zinc/44/06/88/823440688.db2.gz OJTLFTGQTKGZAT-AWEZNQCLSA-N 1 2 393.409 4.138 20 0 GIADLO O[C@@H](COc1ccc2ccccc2c1)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000025228646 819947082 /nfs/dbraw/zinc/94/70/82/819947082.db2.gz UKHBYJMADKOORP-HXUWFJFHSA-N 1 2 377.440 4.468 20 0 GIADLO CSc1ccccc1[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000410268419 823441956 /nfs/dbraw/zinc/44/19/56/823441956.db2.gz NTWYJLBXTUNHOZ-UZLBHIALSA-N 1 2 386.586 4.376 20 0 GIADLO O=C(c1cccc([C@@H]2CCCOC2)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410268751 823442303 /nfs/dbraw/zinc/44/23/03/823442303.db2.gz LYBCGRMPVJKGDF-NHCUHLMSSA-N 1 2 393.531 4.133 20 0 GIADLO CO[C@H](C)c1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000189551396 823442409 /nfs/dbraw/zinc/44/24/09/823442409.db2.gz ULGRTTRMTVHJFX-CAYVGHNUSA-N 1 2 389.446 4.239 20 0 GIADLO CO[C@H](C)c1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000189551396 823442411 /nfs/dbraw/zinc/44/24/11/823442411.db2.gz ULGRTTRMTVHJFX-CAYVGHNUSA-N 1 2 389.446 4.239 20 0 GIADLO CCCCN(C)c1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410269692 823442705 /nfs/dbraw/zinc/44/27/05/823442705.db2.gz WLVRCDPSTQMUNE-FQEVSTJZSA-N 1 2 394.563 4.476 20 0 GIADLO CC1CCN(c2nn(C[N@H+](C)[C@H]3CCC[C@@H](C)C3)c(=S)n2C2CC2)CC1 ZINC000025485360 819989893 /nfs/dbraw/zinc/98/98/93/819989893.db2.gz OKTQFPNVASCEKF-AEFFLSMTSA-N 1 2 377.602 4.453 20 0 GIADLO CC1CCN(c2nn(C[N@@H+](C)[C@H]3CCC[C@@H](C)C3)c(=S)n2C2CC2)CC1 ZINC000025485360 819989898 /nfs/dbraw/zinc/98/98/98/819989898.db2.gz OKTQFPNVASCEKF-AEFFLSMTSA-N 1 2 377.602 4.453 20 0 GIADLO Cc1ccc(C)c(SCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410275067 823444886 /nfs/dbraw/zinc/44/48/86/823444886.db2.gz WFWRYPJOHOZPGW-SFHVURJKSA-N 1 2 383.561 4.335 20 0 GIADLO CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410276638 823445110 /nfs/dbraw/zinc/44/51/10/823445110.db2.gz RCYBGDVAZVZGBC-YLJYHZDGSA-N 1 2 383.561 4.496 20 0 GIADLO COc1cccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c1 ZINC000025746448 820020888 /nfs/dbraw/zinc/02/08/88/820020888.db2.gz IYTSNKCIPAJOOJ-UHFFFAOYSA-N 1 2 394.544 4.223 20 0 GIADLO CC(C)CN(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410281290 823447024 /nfs/dbraw/zinc/44/70/24/823447024.db2.gz HESXDQUQQUKQTQ-HXUWFJFHSA-N 1 2 394.563 4.331 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)s1 ZINC000410283625 823447956 /nfs/dbraw/zinc/44/79/56/823447956.db2.gz SYYCTSZVFTXUKH-KGLIPLIRSA-N 1 2 377.941 4.444 20 0 GIADLO O=C(c1cccc(OC(F)(F)F)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410285042 823448861 /nfs/dbraw/zinc/44/88/61/823448861.db2.gz XOOMVGRBAAHSDF-HNNXBMFYSA-N 1 2 393.409 4.138 20 0 GIADLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1Cl ZINC000410286331 823449401 /nfs/dbraw/zinc/44/94/01/823449401.db2.gz AAEGKAWCPZWNKA-AWEZNQCLSA-N 1 2 375.875 4.340 20 0 GIADLO C[C@@H]1CCc2sc(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)cc2C1 ZINC000026215135 820069982 /nfs/dbraw/zinc/06/99/82/820069982.db2.gz WQWXURWKGGPYQP-MRXNPFEDSA-N 1 2 379.529 4.090 20 0 GIADLO O=C(CSc1ccccc1Cl)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000026214768 820070095 /nfs/dbraw/zinc/07/00/95/820070095.db2.gz NZZIVEJAZIWILC-UHFFFAOYSA-N 1 2 385.920 4.036 20 0 GIADLO Cc1ccc2c(CC(=O)NCCc3[nH+]ccn3Cc3ccccc3)coc2c1C ZINC000026214719 820070117 /nfs/dbraw/zinc/07/01/17/820070117.db2.gz LIJXTVPVQVOPSB-UHFFFAOYSA-N 1 2 387.483 4.196 20 0 GIADLO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000573123735 823450495 /nfs/dbraw/zinc/45/04/95/823450495.db2.gz LTMNUNLHKUZPCY-SIIHOXLZSA-N 1 2 377.410 4.074 20 0 GIADLO C[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000573129913 823451232 /nfs/dbraw/zinc/45/12/32/823451232.db2.gz WVOMLCJVZKMSIR-QYZOEREBSA-N 1 2 397.519 4.057 20 0 GIADLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000026319971 820082332 /nfs/dbraw/zinc/08/23/32/820082332.db2.gz ZTONGRWNJKCXTG-ZDUSSCGKSA-N 1 2 385.851 4.370 20 0 GIADLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000026319971 820082341 /nfs/dbraw/zinc/08/23/41/820082341.db2.gz ZTONGRWNJKCXTG-ZDUSSCGKSA-N 1 2 385.851 4.370 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1ccc(OC(F)F)cc1 ZINC000177398365 823453602 /nfs/dbraw/zinc/45/36/02/823453602.db2.gz FOZCKRQMBYCWMH-AWEZNQCLSA-N 1 2 394.443 4.025 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1ccc(OC(F)F)cc1 ZINC000177398365 823453607 /nfs/dbraw/zinc/45/36/07/823453607.db2.gz FOZCKRQMBYCWMH-AWEZNQCLSA-N 1 2 394.443 4.025 20 0 GIADLO O=C(c1ccccc1OCC1CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292543 823452085 /nfs/dbraw/zinc/45/20/85/823452085.db2.gz RHUFYVMDDZJVQQ-GOSISDBHSA-N 1 2 379.504 4.028 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2)cc1OC(F)F ZINC000026452461 820098620 /nfs/dbraw/zinc/09/86/20/820098620.db2.gz XOJPRWLBUXMGSL-UHFFFAOYSA-N 1 2 384.810 4.021 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2)cc1OC(F)F ZINC000026452461 820098630 /nfs/dbraw/zinc/09/86/30/820098630.db2.gz XOJPRWLBUXMGSL-UHFFFAOYSA-N 1 2 384.810 4.021 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)c2cc(C)n(C3CC3)c2C)cc1OC(F)F ZINC000026453210 820099778 /nfs/dbraw/zinc/09/97/78/820099778.db2.gz HTJLFAKKVKJNBH-UHFFFAOYSA-N 1 2 392.446 4.365 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)c2cc(C)n(C3CC3)c2C)cc1OC(F)F ZINC000026453210 820099789 /nfs/dbraw/zinc/09/97/89/820099789.db2.gz HTJLFAKKVKJNBH-UHFFFAOYSA-N 1 2 392.446 4.365 20 0 GIADLO Cc1ccccc1C[N@H+](C)CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O ZINC000026552418 820113451 /nfs/dbraw/zinc/11/34/51/820113451.db2.gz XYRFHICEFYCZCG-UHFFFAOYSA-N 1 2 391.515 4.033 20 0 GIADLO Cc1ccccc1C[N@@H+](C)CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O ZINC000026552418 820113457 /nfs/dbraw/zinc/11/34/57/820113457.db2.gz XYRFHICEFYCZCG-UHFFFAOYSA-N 1 2 391.515 4.033 20 0 GIADLO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)c(C)c1 ZINC000026639062 820126409 /nfs/dbraw/zinc/12/64/09/820126409.db2.gz IKBWZYSQBPSYMS-UHFFFAOYSA-N 1 2 378.516 4.454 20 0 GIADLO O=C(Nc1cccc(OC(F)F)c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058808147 823455915 /nfs/dbraw/zinc/45/59/15/823455915.db2.gz CPLVCPQPWNODOK-KRWDZBQOSA-N 1 2 378.444 4.017 20 0 GIADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)N1CCC(Cc2ccccc2)CC1 ZINC000026877684 820157056 /nfs/dbraw/zinc/15/70/56/820157056.db2.gz GLNXDQHNAHTSPN-SANMLTNESA-N 1 2 399.538 4.242 20 0 GIADLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000177416774 823457522 /nfs/dbraw/zinc/45/75/22/823457522.db2.gz HKDUWIASXYPQBM-ORAYPTAESA-N 1 2 386.398 4.260 20 0 GIADLO C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410311300 823459647 /nfs/dbraw/zinc/45/96/47/823459647.db2.gz ZUIXTCQTNUNWEY-AZUAARDMSA-N 1 2 397.588 4.495 20 0 GIADLO O=C(C[N@H+](Cc1cccs1)C1CC1)Nc1ccc(Br)cc1F ZINC000027107462 820194395 /nfs/dbraw/zinc/19/43/95/820194395.db2.gz PTCVEBYNKQKOGD-UHFFFAOYSA-N 1 2 383.286 4.253 20 0 GIADLO O=C(C[N@@H+](Cc1cccs1)C1CC1)Nc1ccc(Br)cc1F ZINC000027107462 820194402 /nfs/dbraw/zinc/19/44/02/820194402.db2.gz PTCVEBYNKQKOGD-UHFFFAOYSA-N 1 2 383.286 4.253 20 0 GIADLO COc1ccccc1C(C)(C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410317670 823461401 /nfs/dbraw/zinc/46/14/01/823461401.db2.gz MRJDKXVSOIBKIB-UHFFFAOYSA-N 1 2 381.520 4.065 20 0 GIADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1nccn1C(F)F ZINC000123098310 823462051 /nfs/dbraw/zinc/46/20/51/823462051.db2.gz PQWPXEXCLVAENI-UHFFFAOYSA-N 1 2 379.842 4.083 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000027347015 820228527 /nfs/dbraw/zinc/22/85/27/820228527.db2.gz ZSWRHOHMNGMDRN-UHFFFAOYSA-N 1 2 381.501 4.198 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000027347015 820228533 /nfs/dbraw/zinc/22/85/33/820228533.db2.gz ZSWRHOHMNGMDRN-UHFFFAOYSA-N 1 2 381.501 4.198 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123109612 823463580 /nfs/dbraw/zinc/46/35/80/823463580.db2.gz IYXINMUDXDKTRH-GCJKJVERSA-N 1 2 375.472 4.185 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000123110088 823463893 /nfs/dbraw/zinc/46/38/93/823463893.db2.gz IYXINMUDXDKTRH-PGRDOPGGSA-N 1 2 375.472 4.185 20 0 GIADLO O=C(CSCc1ccc(Cl)cc1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027475569 820249660 /nfs/dbraw/zinc/24/96/60/820249660.db2.gz NGBIZAUBNDGJDI-UHFFFAOYSA-N 1 2 399.947 4.177 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1cn(C)c2ccccc12 ZINC000410330901 823465461 /nfs/dbraw/zinc/46/54/61/823465461.db2.gz YURJFQUVMCLABV-QZTJIDSGSA-N 1 2 390.531 4.221 20 0 GIADLO COc1ccc(C[N@H+](Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027651513 820271555 /nfs/dbraw/zinc/27/15/55/820271555.db2.gz ANCCADQVQNKXQD-OAQYLSRUSA-N 1 2 387.545 4.008 20 0 GIADLO COc1ccc(C[N@@H+](Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027651513 820271563 /nfs/dbraw/zinc/27/15/63/820271563.db2.gz ANCCADQVQNKXQD-OAQYLSRUSA-N 1 2 387.545 4.008 20 0 GIADLO CC[C@H]([NH2+][C@H](C)C(=O)N1CCCC[C@@H]1CC)c1nc(C(F)(F)F)cs1 ZINC000177464266 823468483 /nfs/dbraw/zinc/46/84/83/823468483.db2.gz HYBKNQSWBYDMTA-AGIUHOORSA-N 1 2 377.476 4.382 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(OC(F)F)c3)n2)C1 ZINC000028683066 820350508 /nfs/dbraw/zinc/35/05/08/820350508.db2.gz YNBJLBBXPZGNMK-LBPRGKRZSA-N 1 2 381.448 4.229 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(OC(F)F)c3)n2)C1 ZINC000028683066 820350518 /nfs/dbraw/zinc/35/05/18/820350518.db2.gz YNBJLBBXPZGNMK-LBPRGKRZSA-N 1 2 381.448 4.229 20 0 GIADLO Cc1sc2nc([C@@H](C)[NH+]3CCC(OCC4CCCC4)CC3)[nH]c(=O)c2c1C ZINC000177486583 823473752 /nfs/dbraw/zinc/47/37/52/823473752.db2.gz XCAQSELPHMOBEH-CQSZACIVSA-N 1 2 389.565 4.334 20 0 GIADLO Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000029027570 820385211 /nfs/dbraw/zinc/38/52/11/820385211.db2.gz YWWUMIUBVWGJKE-UHFFFAOYSA-N 1 2 388.496 4.293 20 0 GIADLO C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(Cn5cc[nH+]c5)cc4)cc3c2C1 ZINC000029027109 820385417 /nfs/dbraw/zinc/38/54/17/820385417.db2.gz UJILGZIYMLUFQP-KRWDZBQOSA-N 1 2 398.510 4.468 20 0 GIADLO CCc1noc(CSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000029141864 820398516 /nfs/dbraw/zinc/39/85/16/820398516.db2.gz SQLZUJJZTVZDDU-OAHLLOKOSA-N 1 2 398.536 4.052 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)C[C@@H]3COc4ccccc4O3)o2)cc1C ZINC000177504265 823478514 /nfs/dbraw/zinc/47/85/14/823478514.db2.gz NBRDXBMLVFNHIY-SJLPKXTDSA-N 1 2 379.460 4.186 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)C[C@@H]3COc4ccccc4O3)o2)cc1C ZINC000177504265 823478517 /nfs/dbraw/zinc/47/85/17/823478517.db2.gz NBRDXBMLVFNHIY-SJLPKXTDSA-N 1 2 379.460 4.186 20 0 GIADLO CC(C)n1nccc1C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000410372033 823478774 /nfs/dbraw/zinc/47/87/74/823478774.db2.gz NAAKFFUOQLIVNI-KRWDZBQOSA-N 1 2 395.288 4.406 20 0 GIADLO CC(C)n1nccc1C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000410372033 823478777 /nfs/dbraw/zinc/47/87/77/823478777.db2.gz NAAKFFUOQLIVNI-KRWDZBQOSA-N 1 2 395.288 4.406 20 0 GIADLO C/C(=C\C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1C(F)(F)F ZINC000177517023 823480638 /nfs/dbraw/zinc/48/06/38/823480638.db2.gz RGYGGWSIWHXECG-CKWWRACOSA-N 1 2 377.410 4.415 20 0 GIADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3csc(-c4ccco4)n3)CC2)cc1 ZINC000029520061 820467848 /nfs/dbraw/zinc/46/78/48/820467848.db2.gz SYCXKASMMKSCGD-UHFFFAOYSA-N 1 2 395.528 4.485 20 0 GIADLO CC(C)[C@@H](C)[N@H+](C)Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S ZINC000029541717 820472554 /nfs/dbraw/zinc/47/25/54/820472554.db2.gz YNBJRLLGJIUHFM-QGZVFWFLSA-N 1 2 381.549 4.458 20 0 GIADLO CC(C)[C@@H](C)[N@@H+](C)Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S ZINC000029541717 820472557 /nfs/dbraw/zinc/47/25/57/820472557.db2.gz YNBJRLLGJIUHFM-QGZVFWFLSA-N 1 2 381.549 4.458 20 0 GIADLO CC(=O)N(c1nn(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(=S)s1)C1CC1 ZINC000029542322 820473402 /nfs/dbraw/zinc/47/34/02/820473402.db2.gz PHYNQZISLYAUKR-VBNZEHGJSA-N 1 2 380.583 4.047 20 0 GIADLO CC(=O)N(c1nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(=S)s1)C1CC1 ZINC000029542322 820473410 /nfs/dbraw/zinc/47/34/10/820473410.db2.gz PHYNQZISLYAUKR-VBNZEHGJSA-N 1 2 380.583 4.047 20 0 GIADLO C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4cc[nH+]c(N5CCCC5)c4)cc3c2C1 ZINC000029551820 820475366 /nfs/dbraw/zinc/47/53/66/820475366.db2.gz RXDLBBDVHCAAHB-MRXNPFEDSA-N 1 2 388.515 4.218 20 0 GIADLO CCCCn1c(SCC(=O)NC2CCCCCC2)nnc1[C@H](CC)[NH+](C)C ZINC000029595103 820480901 /nfs/dbraw/zinc/48/09/01/820480901.db2.gz YXJMOZJKJUCTFR-KRWDZBQOSA-N 1 2 395.617 4.022 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)c1ccc(Br)cc1 ZINC000189736324 823484486 /nfs/dbraw/zinc/48/44/86/823484486.db2.gz MTDIBXQWZWYXJM-OLZOCXBDSA-N 1 2 378.318 4.353 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)c2cc(C)n(C3CC3)c2C)ccc1OC(F)F ZINC000029850338 820532579 /nfs/dbraw/zinc/53/25/79/820532579.db2.gz QHQMNDLIKKUZGJ-UHFFFAOYSA-N 1 2 392.446 4.365 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)c2cc(C)n(C3CC3)c2C)ccc1OC(F)F ZINC000029850338 820532585 /nfs/dbraw/zinc/53/25/85/820532585.db2.gz QHQMNDLIKKUZGJ-UHFFFAOYSA-N 1 2 392.446 4.365 20 0 GIADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000029861282 820534654 /nfs/dbraw/zinc/53/46/54/820534654.db2.gz HKVSKTUDLNNWLW-UHFFFAOYSA-N 1 2 396.874 4.006 20 0 GIADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000029861282 820534662 /nfs/dbraw/zinc/53/46/62/820534662.db2.gz HKVSKTUDLNNWLW-UHFFFAOYSA-N 1 2 396.874 4.006 20 0 GIADLO O=C(Cc1c(Cl)cccc1Cl)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000029870737 820536689 /nfs/dbraw/zinc/53/66/89/820536689.db2.gz FWHCOACOOSNCMC-UHFFFAOYSA-N 1 2 388.298 4.140 20 0 GIADLO O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000029870716 820536791 /nfs/dbraw/zinc/53/67/91/820536791.db2.gz JTNGMOYPEFGMDU-UHFFFAOYSA-N 1 2 395.506 4.500 20 0 GIADLO Cc1nc(COc2ccccc2C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000029913449 820546710 /nfs/dbraw/zinc/54/67/10/820546710.db2.gz HKWYBTBHNIZILU-UHFFFAOYSA-N 1 2 390.468 4.469 20 0 GIADLO O=C(Nc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1)c1cccs1 ZINC000029916633 820548201 /nfs/dbraw/zinc/54/82/01/820548201.db2.gz ZJWHXZFJZKNOAA-UHFFFAOYSA-N 1 2 388.452 4.438 20 0 GIADLO CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc(-n3cc[nH+]c3)cc1)O[C@H](C)C2 ZINC000029918396 820548349 /nfs/dbraw/zinc/54/83/49/820548349.db2.gz OKAIVYIYKPFARB-VCIFKONDSA-N 1 2 389.455 4.246 20 0 GIADLO O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029951432 820555747 /nfs/dbraw/zinc/55/57/47/820555747.db2.gz IAMVAWJKZMMQEL-UHFFFAOYSA-N 1 2 397.434 4.121 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(SC)ccc3C)CC2)cc1 ZINC000029980514 820559974 /nfs/dbraw/zinc/55/99/74/820559974.db2.gz IXDSAPMXXYEDBT-UHFFFAOYSA-N 1 2 384.545 4.074 20 0 GIADLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C)n1Cc1ccccc1 ZINC000030012698 820568886 /nfs/dbraw/zinc/56/88/86/820568886.db2.gz MQHHZHYHPZGKET-UHFFFAOYSA-N 1 2 388.515 4.078 20 0 GIADLO O=C(CSc1cc(Cl)ccc1Cl)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030012112 820569151 /nfs/dbraw/zinc/56/91/51/820569151.db2.gz TVTWRHHSDVKJOJ-UHFFFAOYSA-N 1 2 396.343 4.397 20 0 GIADLO CC(C)(C)c1ccc(CCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030218945 820589143 /nfs/dbraw/zinc/58/91/43/820589143.db2.gz YXEWFHFLDLMEJS-UHFFFAOYSA-N 1 2 375.516 4.478 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H]1n1cc[nH+]c1 ZINC000177575286 823494537 /nfs/dbraw/zinc/49/45/37/823494537.db2.gz ANIYADBGNFHZHG-NVXWUHKLSA-N 1 2 382.464 4.040 20 0 GIADLO COc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000123310310 823494583 /nfs/dbraw/zinc/49/45/83/823494583.db2.gz WSCWKZOZQKZSOX-NYHFZMIOSA-N 1 2 390.487 4.041 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1cccc(Br)c1)N1CCc2ccccc21 ZINC000059390608 823494887 /nfs/dbraw/zinc/49/48/87/823494887.db2.gz NERVIYOBDOBMNI-SFHVURJKSA-N 1 2 385.305 4.175 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)N1CCc2ccccc21 ZINC000059390608 823494893 /nfs/dbraw/zinc/49/48/93/823494893.db2.gz NERVIYOBDOBMNI-SFHVURJKSA-N 1 2 385.305 4.175 20 0 GIADLO C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@H](C)c1ccccc1 ZINC000573426870 823491875 /nfs/dbraw/zinc/49/18/75/823491875.db2.gz REFHYTMCCUSRRS-ZWKOTPCHSA-N 1 2 380.536 4.301 20 0 GIADLO COc1cccc([C@@H]([NH2+]Cc2cnc3ccccn23)c2cc(F)ccc2OC)c1 ZINC000177563405 823492161 /nfs/dbraw/zinc/49/21/61/823492161.db2.gz QOOILGYUXUCIIF-HSZRJFAPSA-N 1 2 391.446 4.370 20 0 GIADLO COc1cccc([C@H]([NH2+]Cc2cnn3ccccc23)c2cc(F)ccc2OC)c1 ZINC000177563589 823492193 /nfs/dbraw/zinc/49/21/93/823492193.db2.gz ZAUXSNMFGRXVBS-QHCPKHFHSA-N 1 2 391.446 4.370 20 0 GIADLO Cc1noc(C2CC2)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189777860 823492586 /nfs/dbraw/zinc/49/25/86/823492586.db2.gz SUIYNGVAHAVXRS-DOTOQJQBSA-N 1 2 392.862 4.220 20 0 GIADLO Cc1noc(C2CC2)c1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189777860 823492590 /nfs/dbraw/zinc/49/25/90/823492590.db2.gz SUIYNGVAHAVXRS-DOTOQJQBSA-N 1 2 392.862 4.220 20 0 GIADLO Cc1noc(C2CC2)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189777843 823492613 /nfs/dbraw/zinc/49/26/13/823492613.db2.gz SUIYNGVAHAVXRS-NVXWUHKLSA-N 1 2 392.862 4.220 20 0 GIADLO Cc1noc(C2CC2)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189777843 823492618 /nfs/dbraw/zinc/49/26/18/823492618.db2.gz SUIYNGVAHAVXRS-NVXWUHKLSA-N 1 2 392.862 4.220 20 0 GIADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000030608622 820649444 /nfs/dbraw/zinc/64/94/44/820649444.db2.gz AHHQZNLPFWWGGK-UHFFFAOYSA-N 1 2 375.407 4.066 20 0 GIADLO O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000030609426 820650305 /nfs/dbraw/zinc/65/03/05/820650305.db2.gz JNIPWOMOZKUDOF-UHFFFAOYSA-N 1 2 386.411 4.077 20 0 GIADLO CC(C)(C)c1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)no1 ZINC000460736493 823500192 /nfs/dbraw/zinc/50/01/92/823500192.db2.gz PFGJKUQXXYMNPM-INIZCTEOSA-N 1 2 393.890 4.332 20 0 GIADLO CC(=O)N(c1nc(C[NH2+]CCOCc2ccccc2)cs1)c1ccc(C)cc1 ZINC000177581972 823496069 /nfs/dbraw/zinc/49/60/69/823496069.db2.gz XBNLQSNRMUVMLI-UHFFFAOYSA-N 1 2 395.528 4.443 20 0 GIADLO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000123324031 823496435 /nfs/dbraw/zinc/49/64/35/823496435.db2.gz KZWMOPPGIRSZIP-KUHUBIRLSA-N 1 2 395.894 4.025 20 0 GIADLO C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000189804617 823497681 /nfs/dbraw/zinc/49/76/81/823497681.db2.gz SXAQFGCFRKUMIH-INIZCTEOSA-N 1 2 387.503 4.060 20 0 GIADLO CCOc1ccc(CN(C)C(=O)C[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cc1 ZINC000030970251 820712982 /nfs/dbraw/zinc/71/29/82/820712982.db2.gz BRJDTGOXRMUNDK-HTAPYJJXSA-N 1 2 396.531 4.425 20 0 GIADLO CCOc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cc1 ZINC000030970251 820712989 /nfs/dbraw/zinc/71/29/89/820712989.db2.gz BRJDTGOXRMUNDK-HTAPYJJXSA-N 1 2 396.531 4.425 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nnnn2C2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000189839829 823504578 /nfs/dbraw/zinc/50/45/78/823504578.db2.gz UICXJSKTUQKYJI-GJZGRUSLSA-N 1 2 397.502 4.223 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1c2ccccc2Oc2ccccc21 ZINC000060013630 823504742 /nfs/dbraw/zinc/50/47/42/823504742.db2.gz OAPQWVHMSZEUIU-UHFFFAOYSA-N 1 2 381.435 4.426 20 0 GIADLO CC(C)Oc1cccc(CN(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000123395111 823505065 /nfs/dbraw/zinc/50/50/65/823505065.db2.gz BTWMPDOJGSLIIC-UHFFFAOYSA-N 1 2 378.476 4.001 20 0 GIADLO CN1CC[NH+](Cc2cccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)c2)CC1 ZINC000060030237 823505128 /nfs/dbraw/zinc/50/51/28/823505128.db2.gz JZTZGNOWMMOPSH-UHFFFAOYSA-N 1 2 395.522 4.024 20 0 GIADLO C[C@H]1CCN(C(=O)CCCc2ccc(Br)s2)C[C@H]1n1cc[nH+]c1 ZINC000123395571 823505213 /nfs/dbraw/zinc/50/52/13/823505213.db2.gz ALXJIJAXOJQBAU-DZGCQCFKSA-N 1 2 396.354 4.140 20 0 GIADLO O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000060046828 823506026 /nfs/dbraw/zinc/50/60/26/823506026.db2.gz AIIYVLUYHRCONE-UHFFFAOYSA-N 1 2 394.233 4.013 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123425509 823507937 /nfs/dbraw/zinc/50/79/37/823507937.db2.gz ACIBEOLWYOLSJN-QRWLVFNGSA-N 1 2 380.879 4.322 20 0 GIADLO COc1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1C ZINC000031893299 820871100 /nfs/dbraw/zinc/87/11/00/820871100.db2.gz PDVAQADOOLHION-GOSISDBHSA-N 1 2 390.886 4.363 20 0 GIADLO Cc1cccc(OCC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000031895630 820871673 /nfs/dbraw/zinc/87/16/73/820871673.db2.gz RSESICIQFWIGMG-IBGZPJMESA-N 1 2 390.886 4.120 20 0 GIADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc(Cl)nc1 ZINC000031895850 820872325 /nfs/dbraw/zinc/87/23/25/820872325.db2.gz SEDHXCIAUMUGDR-OAHLLOKOSA-N 1 2 382.266 4.094 20 0 GIADLO O=C(Cc1c[nH]c2ccccc12)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031896079 820872400 /nfs/dbraw/zinc/87/24/00/820872400.db2.gz BYBPJWKIZSIALM-HXUWFJFHSA-N 1 2 399.897 4.456 20 0 GIADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)o1 ZINC000032001207 820888121 /nfs/dbraw/zinc/88/81/21/820888121.db2.gz SBDYFBJLDZUWKA-UHFFFAOYSA-N 1 2 384.476 4.414 20 0 GIADLO CCC(CC)[C@H](C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)[NH+]1CCOCC1 ZINC000460790196 823513070 /nfs/dbraw/zinc/51/30/70/823513070.db2.gz LMGXYBOXRSAWSN-IEBWSBKVSA-N 1 2 396.984 4.130 20 0 GIADLO O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000060350601 823518039 /nfs/dbraw/zinc/51/80/39/823518039.db2.gz QPDKXJFFXMHAKX-SFHVURJKSA-N 1 2 386.879 4.104 20 0 GIADLO O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000060350601 823518042 /nfs/dbraw/zinc/51/80/42/823518042.db2.gz QPDKXJFFXMHAKX-SFHVURJKSA-N 1 2 386.879 4.104 20 0 GIADLO Cc1nc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)sc1C ZINC000177724432 823517060 /nfs/dbraw/zinc/51/70/60/823517060.db2.gz BGPSXPYSNAHFSQ-UHFFFAOYSA-N 1 2 378.929 4.153 20 0 GIADLO Cc1nc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)sc1C ZINC000177724432 823517064 /nfs/dbraw/zinc/51/70/64/823517064.db2.gz BGPSXPYSNAHFSQ-UHFFFAOYSA-N 1 2 378.929 4.153 20 0 GIADLO COc1ccc(OC(F)F)c(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1 ZINC000190023524 823527491 /nfs/dbraw/zinc/52/74/91/823527491.db2.gz MNMSICNHSBTUQV-UHFFFAOYSA-N 1 2 399.384 4.058 20 0 GIADLO O=C(Cc1ccc(F)cc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000036099797 821068900 /nfs/dbraw/zinc/06/89/00/821068900.db2.gz RGGZLBPIEQAITN-GOSISDBHSA-N 1 2 378.850 4.114 20 0 GIADLO CCCCc1ccc(NC(=S)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000038428126 821095845 /nfs/dbraw/zinc/09/58/45/821095845.db2.gz TXNZJUFGZXFMMS-JOCHJYFZSA-N 1 2 397.588 4.217 20 0 GIADLO CCCCc1ccc(NC(=S)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000038428126 821095855 /nfs/dbraw/zinc/09/58/55/821095855.db2.gz TXNZJUFGZXFMMS-JOCHJYFZSA-N 1 2 397.588 4.217 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H](O)c2ccccc2C(F)(F)F)c(C)c1 ZINC000060464463 823531099 /nfs/dbraw/zinc/53/10/99/823531099.db2.gz NFXXODVCGPLDHG-SFHVURJKSA-N 1 2 394.437 4.235 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H](O)c2ccccc2C(F)(F)F)c(C)c1 ZINC000060464463 823531101 /nfs/dbraw/zinc/53/11/01/823531101.db2.gz NFXXODVCGPLDHG-SFHVURJKSA-N 1 2 394.437 4.235 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CCSc4ccccc43)CC2)c1 ZINC000460879416 823534973 /nfs/dbraw/zinc/53/49/73/823534973.db2.gz XHLXRYUPMIYHRL-DYESRHJHSA-N 1 2 396.556 4.180 20 0 GIADLO CCCC[C@@H](C)N(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000460884885 823535972 /nfs/dbraw/zinc/53/59/72/823535972.db2.gz PPJVKMJQKOOFBF-CQSZACIVSA-N 1 2 395.345 4.168 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000123745135 823536811 /nfs/dbraw/zinc/53/68/11/823536811.db2.gz FXKJIQKLCGAIHA-DHIUTWEWSA-N 1 2 388.515 4.142 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(Br)s1 ZINC000042051232 821258078 /nfs/dbraw/zinc/25/80/78/821258078.db2.gz HPOYSSMVPCKNFH-UHFFFAOYSA-N 1 2 386.340 4.205 20 0 GIADLO COc1ccc(OCc2nn(C[N@H+](C3CC3)C3CCCC3)c(=S)o2)cc1 ZINC000042094255 821263896 /nfs/dbraw/zinc/26/38/96/821263896.db2.gz LPKRCOYTMUJSKG-UHFFFAOYSA-N 1 2 375.494 4.158 20 0 GIADLO COc1ccc(OCc2nn(C[N@@H+](C3CC3)C3CCCC3)c(=S)o2)cc1 ZINC000042094255 821263902 /nfs/dbraw/zinc/26/39/02/821263902.db2.gz LPKRCOYTMUJSKG-UHFFFAOYSA-N 1 2 375.494 4.158 20 0 GIADLO CCN(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000190125287 823540720 /nfs/dbraw/zinc/54/07/20/823540720.db2.gz WDXVTKGAXQQOFP-SFHVURJKSA-N 1 2 396.560 4.198 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)NCc3cccc(C(F)(F)F)c3)cn2c1 ZINC000042382019 821305067 /nfs/dbraw/zinc/30/50/67/821305067.db2.gz ZGYQZTOWYHVHMS-UHFFFAOYSA-N 1 2 393.434 4.211 20 0 GIADLO COc1cccc([C@H]2CCCN2C(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000042474769 821308744 /nfs/dbraw/zinc/30/87/44/821308744.db2.gz XIJNNQCVSWAVBC-HXUWFJFHSA-N 1 2 395.528 4.248 20 0 GIADLO CC[C@@H]([NH2+]Cc1nc(-c2ccc(C)c(OC)c2)no1)c1ccc2c(c1)OCCO2 ZINC000180629717 821375006 /nfs/dbraw/zinc/37/50/06/821375006.db2.gz FFWIWHIBBUSGTD-QGZVFWFLSA-N 1 2 395.459 4.066 20 0 GIADLO CC[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)OCCO2 ZINC000180641766 821379568 /nfs/dbraw/zinc/37/95/68/821379568.db2.gz GHUZTVNRZFURHQ-INIZCTEOSA-N 1 2 385.851 4.402 20 0 GIADLO CC(C)(C)C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(F)(F)F ZINC000180643366 821379990 /nfs/dbraw/zinc/37/99/90/821379990.db2.gz PRIXBUKZGFHROY-INIZCTEOSA-N 1 2 382.430 4.098 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000043349092 821396540 /nfs/dbraw/zinc/39/65/40/821396540.db2.gz ZEUSUZGPUBCYKR-UHFFFAOYSA-N 1 2 384.867 4.224 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043349203 821396749 /nfs/dbraw/zinc/39/67/49/821396749.db2.gz OVBPBLQMUUJZAG-UHFFFAOYSA-N 1 2 398.894 4.266 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1nccnc1-c1nc2ccccc2s1 ZINC000043485751 821413518 /nfs/dbraw/zinc/41/35/18/821413518.db2.gz GYZVFKSSJCSVQR-UHFFFAOYSA-N 1 2 398.451 4.191 20 0 GIADLO CN(Cc1cccc(Cl)c1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043521830 821421930 /nfs/dbraw/zinc/42/19/30/821421930.db2.gz KSVYLRHUTSVFOZ-UHFFFAOYSA-N 1 2 378.929 4.446 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000043643416 821435371 /nfs/dbraw/zinc/43/53/71/821435371.db2.gz KFNVJFCPBHPCHP-ZDUSSCGKSA-N 1 2 378.394 4.367 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000043643416 821435378 /nfs/dbraw/zinc/43/53/78/821435378.db2.gz KFNVJFCPBHPCHP-ZDUSSCGKSA-N 1 2 378.394 4.367 20 0 GIADLO COc1ccc(OC)c(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000043676148 821440097 /nfs/dbraw/zinc/44/00/97/821440097.db2.gz WJUMRVPGRKGXKW-JOCHJYFZSA-N 1 2 376.456 4.173 20 0 GIADLO CC(=O)Nc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180775453 821449151 /nfs/dbraw/zinc/44/91/51/821449151.db2.gz OEPBKLQWXXGALM-IBGZPJMESA-N 1 2 378.394 4.237 20 0 GIADLO CC(=O)Nc1ccccc1C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180775453 821449153 /nfs/dbraw/zinc/44/91/53/821449153.db2.gz OEPBKLQWXXGALM-IBGZPJMESA-N 1 2 378.394 4.237 20 0 GIADLO CCCCn1c(SCc2nnc(-c3ccco3)o2)nnc1[C@@H](CC)[NH+](C)C ZINC000044172330 821539542 /nfs/dbraw/zinc/53/95/42/821539542.db2.gz ITTJVWBCUZRUJB-CYBMUJFWSA-N 1 2 390.513 4.026 20 0 GIADLO Cc1cc(O[C@@H](C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1C(C)C ZINC000044525534 821600371 /nfs/dbraw/zinc/60/03/71/821600371.db2.gz NWIKYVYYUCNCPJ-SFHVURJKSA-N 1 2 381.520 4.066 20 0 GIADLO CC(=O)Nc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccc1C ZINC000044568042 821610197 /nfs/dbraw/zinc/61/01/97/821610197.db2.gz HXMKZBSTXRJLRT-UHFFFAOYSA-N 1 2 388.471 4.406 20 0 GIADLO CC[N@H+](C)[C@H](C(=O)OC1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccccc1 ZINC000181157820 821670189 /nfs/dbraw/zinc/67/01/89/821670189.db2.gz XZLDSVIZGMXLPG-QHCPKHFHSA-N 1 2 394.515 4.094 20 0 GIADLO CC[N@@H+](C)[C@H](C(=O)OC1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccccc1 ZINC000181157820 821670196 /nfs/dbraw/zinc/67/01/96/821670196.db2.gz XZLDSVIZGMXLPG-QHCPKHFHSA-N 1 2 394.515 4.094 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)no2)cc1 ZINC000181179855 821681099 /nfs/dbraw/zinc/68/10/99/821681099.db2.gz FFVRYRFBTQYCHW-OXQOHEQNSA-N 1 2 379.460 4.003 20 0 GIADLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)s1 ZINC000181276773 821730275 /nfs/dbraw/zinc/73/02/75/821730275.db2.gz WGRDWKDMWSYQJW-NSHDSACASA-N 1 2 377.311 4.455 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000181278103 821730737 /nfs/dbraw/zinc/73/07/37/821730737.db2.gz KGRNWHDLKSDPTH-GFCCVEGCSA-N 1 2 387.281 4.094 20 0 GIADLO CCO[C@@H](C)c1nc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cs1 ZINC000181317586 821755406 /nfs/dbraw/zinc/75/54/06/821755406.db2.gz ABMLBDXFBHVWMU-KGLIPLIRSA-N 1 2 375.494 4.048 20 0 GIADLO Cc1cccn2cc(C[S@](=O)CCCc3ccccc3Br)[nH+]c12 ZINC000181435143 821825906 /nfs/dbraw/zinc/82/59/06/821825906.db2.gz KSDPDMNMNXXKPV-HSZRJFAPSA-N 1 2 391.334 4.287 20 0 GIADLO Cc1cccc(-c2noc(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)n2)c1 ZINC000181445961 821829363 /nfs/dbraw/zinc/82/93/63/821829363.db2.gz LOCAPVLIQCIFET-INIZCTEOSA-N 1 2 376.460 4.023 20 0 GIADLO Cc1ccc(OC2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)nc1 ZINC000181541824 821874376 /nfs/dbraw/zinc/87/43/76/821874376.db2.gz JFPQXVXXRNBGES-UHFFFAOYSA-N 1 2 384.867 4.137 20 0 GIADLO CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(OC)cc1 ZINC000181575014 821885594 /nfs/dbraw/zinc/88/55/94/821885594.db2.gz KVLSUFGMNGHJHH-IOMROCGXSA-N 1 2 388.458 4.029 20 0 GIADLO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(OC)cc1 ZINC000181575014 821885600 /nfs/dbraw/zinc/88/56/00/821885600.db2.gz KVLSUFGMNGHJHH-IOMROCGXSA-N 1 2 388.458 4.029 20 0 GIADLO CC(=O)Nc1nc(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cs1 ZINC000181588513 821892481 /nfs/dbraw/zinc/89/24/81/821892481.db2.gz ROUZGLIWNUSSFD-IBGZPJMESA-N 1 2 387.455 4.453 20 0 GIADLO COCCCOc1cccc(C[NH2+][C@@H](C)c2ncc(Br)s2)c1 ZINC000181602176 821898615 /nfs/dbraw/zinc/89/86/15/821898615.db2.gz AKRROOCOGNQIDA-LBPRGKRZSA-N 1 2 385.327 4.172 20 0 GIADLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(C)cc1 ZINC000181706854 821952335 /nfs/dbraw/zinc/95/23/35/821952335.db2.gz MSFPAQMUCARVDG-SJORKVTESA-N 1 2 379.273 4.164 20 0 GIADLO CCC[C@@H]([NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1ccccc1 ZINC000181779447 821988857 /nfs/dbraw/zinc/98/88/57/821988857.db2.gz NSHBYEYQGVSFOW-MRXNPFEDSA-N 1 2 388.512 4.460 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(Cl)cc(Cl)n2)C[C@H](C)O1 ZINC000181890423 822028001 /nfs/dbraw/zinc/02/80/01/822028001.db2.gz ITXQLGXKUXKYDY-STQMWFEESA-N 1 2 394.302 4.250 20 0 GIADLO C[C@](O)(CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccccc1 ZINC000182048931 822073074 /nfs/dbraw/zinc/07/30/74/822073074.db2.gz YIAONIOWNNRJES-QHCPKHFHSA-N 1 2 375.472 4.123 20 0 GIADLO CCCc1c(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cnn1-c1cccc(F)c1 ZINC000182165433 822126014 /nfs/dbraw/zinc/12/60/14/822126014.db2.gz NIWWPRWGEHBVMK-UHFFFAOYSA-N 1 2 389.434 4.402 20 0 GIADLO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)c1ccccn1 ZINC000182172057 822130186 /nfs/dbraw/zinc/13/01/86/822130186.db2.gz MLVGNOYOPAUXBF-QMHKHESXSA-N 1 2 375.472 4.489 20 0 GIADLO Cc1noc([C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C(C)C)n1 ZINC000182207606 822147100 /nfs/dbraw/zinc/14/71/00/822147100.db2.gz AKFRILNIPRXXHD-IBGZPJMESA-N 1 2 381.524 4.407 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@@H]3CCCc4nc(C)sc43)co2)cc1 ZINC000182336323 822206403 /nfs/dbraw/zinc/20/64/03/822206403.db2.gz PNHDOONEVFRMLO-GOSISDBHSA-N 1 2 397.500 4.403 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@@H]3CCCc4nc(C)sc43)co2)cc1 ZINC000182336323 822206410 /nfs/dbraw/zinc/20/64/10/822206410.db2.gz PNHDOONEVFRMLO-GOSISDBHSA-N 1 2 397.500 4.403 20 0 GIADLO CC[C@@H]([NH2+]Cc1csc(CC(=O)Nc2ccc(C)cc2)n1)c1c(C)noc1C ZINC000182425421 822239328 /nfs/dbraw/zinc/23/93/28/822239328.db2.gz KWSVJFTYMRSTFE-GOSISDBHSA-N 1 2 398.532 4.478 20 0 GIADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(O)ccc12 ZINC000182437984 822242706 /nfs/dbraw/zinc/24/27/06/822242706.db2.gz DFDTWVPPTPJWTJ-FQEVSTJZSA-N 1 2 389.455 4.205 20 0 GIADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2cc(O)ccc12 ZINC000182437984 822242712 /nfs/dbraw/zinc/24/27/12/822242712.db2.gz DFDTWVPPTPJWTJ-FQEVSTJZSA-N 1 2 389.455 4.205 20 0 GIADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1nncn1-c1ccccc1)CCCO2 ZINC000177948602 822253804 /nfs/dbraw/zinc/25/38/04/822253804.db2.gz XVLVWXLWOLKKQY-QGZVFWFLSA-N 1 2 399.292 4.033 20 0 GIADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1nncn1-c1ccccc1)CCCO2 ZINC000177948613 822254123 /nfs/dbraw/zinc/25/41/23/822254123.db2.gz XVLVWXLWOLKKQY-KRWDZBQOSA-N 1 2 399.292 4.033 20 0 GIADLO COC[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(F)c(F)c1 ZINC000182555925 822300401 /nfs/dbraw/zinc/30/04/01/822300401.db2.gz XVPWWDLTXAXVCL-OAQYLSRUSA-N 1 2 383.442 4.117 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H](C)c3cc4ccccc4o3)nc2c1 ZINC000182642800 822335771 /nfs/dbraw/zinc/33/57/71/822335771.db2.gz NMTWGJKANQCUQN-ZDUSSCGKSA-N 1 2 384.457 4.218 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccc(CSc2ccccn2)c1 ZINC000178195842 822349192 /nfs/dbraw/zinc/34/91/92/822349192.db2.gz PMNJBUJTUJJFIQ-UHFFFAOYSA-N 1 2 389.484 4.343 20 0 GIADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1ccc(Cl)cn1 ZINC000182686420 822351214 /nfs/dbraw/zinc/35/12/14/822351214.db2.gz YIGGMJLBNPJUKZ-UHFFFAOYSA-N 1 2 379.266 4.371 20 0 GIADLO COc1cc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)ccc1OCc1cscn1 ZINC000045065356 822360853 /nfs/dbraw/zinc/36/08/53/822360853.db2.gz SBIXHIBHFHCWMK-UHFFFAOYSA-N 1 2 394.456 4.168 20 0 GIADLO COc1ccc([C@@H]([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)c2ccco2)cc1 ZINC000453423583 822360807 /nfs/dbraw/zinc/36/08/07/822360807.db2.gz XSOHTGLROXZXFN-OYHNWAKOSA-N 1 2 376.460 4.388 20 0 GIADLO Cc1ccc2[nH+]c(CSc3nnc(-c4ccco4)n3Cc3ccco3)cn2c1 ZINC000178291919 822364094 /nfs/dbraw/zinc/36/40/94/822364094.db2.gz FHTITKHXTJQOAA-UHFFFAOYSA-N 1 2 391.456 4.428 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3nc(-c4cccnc4)n(C)c3=S)C2)c1 ZINC000182794159 822368308 /nfs/dbraw/zinc/36/83/08/822368308.db2.gz MZAGOZMHPOJSCI-GOSISDBHSA-N 1 2 379.533 4.077 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cn3nc(-c4cccnc4)n(C)c3=S)C2)c1 ZINC000182794159 822368313 /nfs/dbraw/zinc/36/83/13/822368313.db2.gz MZAGOZMHPOJSCI-GOSISDBHSA-N 1 2 379.533 4.077 20 0 GIADLO O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178344730 822369429 /nfs/dbraw/zinc/36/94/29/822369429.db2.gz JHVBTFKGCXKVAH-CZYKHXBRSA-N 1 2 390.462 4.106 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000178384965 822373744 /nfs/dbraw/zinc/37/37/44/822373744.db2.gz MHIFTSWFSVDNBT-UHFFFAOYSA-N 1 2 377.341 4.019 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(F)c1 ZINC000182836163 822375519 /nfs/dbraw/zinc/37/55/19/822375519.db2.gz LCMIEXWXCXURJO-KBPBESRZSA-N 1 2 398.404 4.014 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(F)c1 ZINC000182836163 822375526 /nfs/dbraw/zinc/37/55/26/822375526.db2.gz LCMIEXWXCXURJO-KBPBESRZSA-N 1 2 398.404 4.014 20 0 GIADLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000178419668 822377640 /nfs/dbraw/zinc/37/76/40/822377640.db2.gz FYKLYLSXFVGDEX-IAQYHMDHSA-N 1 2 381.293 4.489 20 0 GIADLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(Br)cc1Cl ZINC000178421222 822377652 /nfs/dbraw/zinc/37/76/52/822377652.db2.gz HCDNAHMKBRBSPJ-NRFANRHFSA-N 1 2 386.742 4.472 20 0 GIADLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(Br)cc1Cl ZINC000178421222 822377658 /nfs/dbraw/zinc/37/76/58/822377658.db2.gz HCDNAHMKBRBSPJ-NRFANRHFSA-N 1 2 386.742 4.472 20 0 GIADLO CC[C@@H](C)[C@@H]([NH2+]Cc1nc(C)c(C)o1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000182865987 822381940 /nfs/dbraw/zinc/38/19/40/822381940.db2.gz CKEFHDNWWDVOGL-UZUQRXQVSA-N 1 2 397.563 4.277 20 0 GIADLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C(F)(F)F ZINC000453574996 822386621 /nfs/dbraw/zinc/38/66/21/822386621.db2.gz JXYSNQQFIUGZTO-HZPDHXFCSA-N 1 2 396.409 4.294 20 0 GIADLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C(F)(F)F ZINC000453574996 822386625 /nfs/dbraw/zinc/38/66/25/822386625.db2.gz JXYSNQQFIUGZTO-HZPDHXFCSA-N 1 2 396.409 4.294 20 0 GIADLO CC[C@H]([NH2+]Cc1sc(C)cc1Br)c1nnc2n1CCCCC2 ZINC000453582438 822388172 /nfs/dbraw/zinc/38/81/72/822388172.db2.gz FGGYVIYNICLLCY-ZDUSSCGKSA-N 1 2 383.359 4.378 20 0 GIADLO CC(=O)N(c1nc(C[NH2+]CCOCC2CCCC2)cs1)c1ccc(F)cc1 ZINC000453584764 822388642 /nfs/dbraw/zinc/38/86/42/822388642.db2.gz MNSZZHXSYYOUQJ-UHFFFAOYSA-N 1 2 391.512 4.263 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1F ZINC000045469856 822389236 /nfs/dbraw/zinc/38/92/36/822389236.db2.gz POEKGHSYFMDJII-INIZCTEOSA-N 1 2 384.495 4.022 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1F ZINC000045469856 822389242 /nfs/dbraw/zinc/38/92/42/822389242.db2.gz POEKGHSYFMDJII-INIZCTEOSA-N 1 2 384.495 4.022 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000045606146 822399600 /nfs/dbraw/zinc/39/96/00/822399600.db2.gz VZIJZHGWCWXJCC-LJQANCHMSA-N 1 2 396.491 4.107 20 0 GIADLO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045676490 822404529 /nfs/dbraw/zinc/40/45/29/822404529.db2.gz UGLMNTYRCZKRMQ-CYBMUJFWSA-N 1 2 394.302 4.072 20 0 GIADLO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000178744955 822406633 /nfs/dbraw/zinc/40/66/33/822406633.db2.gz MWBVSNNKHAZIGQ-UHFFFAOYSA-N 1 2 395.503 4.297 20 0 GIADLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000178744955 822406638 /nfs/dbraw/zinc/40/66/38/822406638.db2.gz MWBVSNNKHAZIGQ-UHFFFAOYSA-N 1 2 395.503 4.297 20 0 GIADLO C[N@H+](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccccc1N1CCOCC1 ZINC000045736093 822409516 /nfs/dbraw/zinc/40/95/16/822409516.db2.gz UFADARDSLHWGRB-UHFFFAOYSA-N 1 2 397.906 4.464 20 0 GIADLO C[N@@H+](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccccc1N1CCOCC1 ZINC000045736093 822409519 /nfs/dbraw/zinc/40/95/19/822409519.db2.gz UFADARDSLHWGRB-UHFFFAOYSA-N 1 2 397.906 4.464 20 0 GIADLO COc1cc([C@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1OC(C)C ZINC000045735261 822409543 /nfs/dbraw/zinc/40/95/43/822409543.db2.gz QFPCZTBDLFYSTE-KRWDZBQOSA-N 1 2 393.487 4.218 20 0 GIADLO O=C(C[N@H+](Cc1cccs1)C1CC1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000045751381 822410423 /nfs/dbraw/zinc/41/04/23/822410423.db2.gz RHILWFHNYIPVSV-UHFFFAOYSA-N 1 2 395.528 4.011 20 0 GIADLO O=C(C[N@@H+](Cc1cccs1)C1CC1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000045751381 822410426 /nfs/dbraw/zinc/41/04/26/822410426.db2.gz RHILWFHNYIPVSV-UHFFFAOYSA-N 1 2 395.528 4.011 20 0 GIADLO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045787929 822413762 /nfs/dbraw/zinc/41/37/62/822413762.db2.gz DFRXWFFNYPAMOM-HNNXBMFYSA-N 1 2 398.304 4.055 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(-c3ccccn3)c2C)c1C ZINC000178858086 822416790 /nfs/dbraw/zinc/41/67/90/822416790.db2.gz XOLTZCCTZYHLBO-UHFFFAOYSA-N 1 2 375.472 4.350 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1C ZINC000178909128 822420894 /nfs/dbraw/zinc/42/08/94/822420894.db2.gz XIPBLYSTSTWWAI-UYAOXDASSA-N 1 2 397.519 4.016 20 0 GIADLO COCc1noc([C@H](C)[NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)n1 ZINC000183075243 822421179 /nfs/dbraw/zinc/42/11/79/822421179.db2.gz HJJLRNWNKOYLSM-YPMHNXCESA-N 1 2 388.493 4.068 20 0 GIADLO C[S@](=O)C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)c1ccccc1 ZINC000183099008 822424193 /nfs/dbraw/zinc/42/41/93/822424193.db2.gz PFVHYCGTAKXJOY-WZQKQDCOSA-N 1 2 382.407 4.056 20 0 GIADLO CC[C@@H](CSc1ccccc1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000178967721 822425185 /nfs/dbraw/zinc/42/51/85/822425185.db2.gz NZRSIBJRPIGLPK-FQEVSTJZSA-N 1 2 394.544 4.302 20 0 GIADLO O=C(Nc1ccccc1Cc1ccccc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045959944 822427082 /nfs/dbraw/zinc/42/70/82/822427082.db2.gz PGMVDZOJLCBCSZ-UHFFFAOYSA-N 1 2 386.499 4.463 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccccc1-n1cccn1 ZINC000183141441 822430071 /nfs/dbraw/zinc/43/00/71/822430071.db2.gz FRYZFWRHMMOOKQ-ZDUSSCGKSA-N 1 2 381.386 4.051 20 0 GIADLO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000454232084 822441561 /nfs/dbraw/zinc/44/15/61/822441561.db2.gz ZENZCMNXFZJPEY-QFIPXVFZSA-N 1 2 392.478 4.426 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454266750 822446423 /nfs/dbraw/zinc/44/64/23/822446423.db2.gz BMTAYPNWHFECHL-IRXDYDNUSA-N 1 2 398.473 4.382 20 0 GIADLO CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C)c2ncc(Br)s2)cc1 ZINC000179199624 822449774 /nfs/dbraw/zinc/44/97/74/822449774.db2.gz GTYHCMLLAAHPPR-GFCCVEGCSA-N 1 2 396.354 4.238 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ncc(Br)s1 ZINC000179204175 822450544 /nfs/dbraw/zinc/45/05/44/822450544.db2.gz GMKCKNSXYSNYOI-MRVPVSSYSA-N 1 2 396.232 4.093 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)n2)C1 ZINC000454285156 822451161 /nfs/dbraw/zinc/45/11/61/822451161.db2.gz ZVCABQLMMFOTTI-KNNACDGKSA-N 1 2 386.565 4.051 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)n2)C1 ZINC000454285156 822451163 /nfs/dbraw/zinc/45/11/63/822451163.db2.gz ZVCABQLMMFOTTI-KNNACDGKSA-N 1 2 386.565 4.051 20 0 GIADLO Cc1ccc(C(=O)CC(C)(C)CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000183270327 822451421 /nfs/dbraw/zinc/45/14/21/822451421.db2.gz AAHNPHGSAKHXJA-UHFFFAOYSA-N 1 2 393.531 4.296 20 0 GIADLO C[C@@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ncc(Br)s1 ZINC000179223258 822453580 /nfs/dbraw/zinc/45/35/80/822453580.db2.gz GVLVJHNNEVCXJT-RNCFNFMXSA-N 1 2 395.244 4.006 20 0 GIADLO C[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cccc(C2CC2)c1 ZINC000454301705 822454609 /nfs/dbraw/zinc/45/46/09/822454609.db2.gz MHOSXIFIMPJSDM-SFHVURJKSA-N 1 2 388.515 4.412 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cnn1C ZINC000183307557 822456714 /nfs/dbraw/zinc/45/67/14/822456714.db2.gz HOXJZVCZWVLCAM-NXEZZACHSA-N 1 2 380.279 4.497 20 0 GIADLO Fc1ccc([C@@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)c2ccccc2)nc1 ZINC000183353108 822462556 /nfs/dbraw/zinc/46/25/56/822462556.db2.gz WBSFVMBHFNJPSO-IBGZPJMESA-N 1 2 391.368 4.436 20 0 GIADLO Cc1ccc(SCC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000046340964 822462949 /nfs/dbraw/zinc/46/29/49/822462949.db2.gz QEKSJZDDPIHOTQ-ROUUACIJSA-N 1 2 384.545 4.335 20 0 GIADLO Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046341225 822463104 /nfs/dbraw/zinc/46/31/04/822463104.db2.gz WXOQHVMOLRYTQQ-GUDVDZBRSA-N 1 2 382.504 4.010 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000046342065 822463576 /nfs/dbraw/zinc/46/35/76/822463576.db2.gz BLJXDIOLIZXWOM-GJZGRUSLSA-N 1 2 390.886 4.270 20 0 GIADLO Cc1cc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2n1 ZINC000046344072 822463850 /nfs/dbraw/zinc/46/38/50/822463850.db2.gz PGOUSQJJCNJQHY-HDICACEKSA-N 1 2 389.499 4.405 20 0 GIADLO Cc1cc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2n1 ZINC000046344072 822463851 /nfs/dbraw/zinc/46/38/51/822463851.db2.gz PGOUSQJJCNJQHY-HDICACEKSA-N 1 2 389.499 4.405 20 0 GIADLO CC(C)OCc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046344143 822463875 /nfs/dbraw/zinc/46/38/75/822463875.db2.gz VHYLDFMRSHDGSG-RTBURBONSA-N 1 2 396.531 4.473 20 0 GIADLO Cc1cc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccccc2n1 ZINC000046344076 822463912 /nfs/dbraw/zinc/46/39/12/822463912.db2.gz PGOUSQJJCNJQHY-ROUUACIJSA-N 1 2 389.499 4.405 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000046345224 822464108 /nfs/dbraw/zinc/46/41/08/822464108.db2.gz UJUKMXRMPPUTKE-KGVIQGDOSA-N 1 2 378.516 4.354 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000046345224 822464109 /nfs/dbraw/zinc/46/41/09/822464109.db2.gz UJUKMXRMPPUTKE-KGVIQGDOSA-N 1 2 378.516 4.354 20 0 GIADLO C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1)c1nccn1C ZINC000183405187 822469130 /nfs/dbraw/zinc/46/91/30/822469130.db2.gz HKKOWWKYIIILQN-OXQOHEQNSA-N 1 2 394.519 4.490 20 0 GIADLO COc1cc(F)c([C@H](C)[NH2+]Cc2nc3ccccc3n2C(F)F)cc1OC ZINC000183435040 822474529 /nfs/dbraw/zinc/47/45/29/822474529.db2.gz MECTWGLZSHKIGN-NSHDSACASA-N 1 2 379.382 4.439 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000046468141 822475991 /nfs/dbraw/zinc/47/59/91/822475991.db2.gz FWSMAPFUFKPKTC-OAHLLOKOSA-N 1 2 384.402 4.061 20 0 GIADLO CC1(F)CC(NC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000454462425 822479295 /nfs/dbraw/zinc/47/92/95/822479295.db2.gz SVVDFWJSNQQDJO-UHFFFAOYSA-N 1 2 392.478 4.288 20 0 GIADLO Cc1ncsc1C[N@@H+](C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000179425765 822480855 /nfs/dbraw/zinc/48/08/55/822480855.db2.gz QAKCOMYGFZHLRP-UHFFFAOYSA-N 1 2 391.338 4.340 20 0 GIADLO Cc1ncsc1C[N@H+](C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000179425765 822480856 /nfs/dbraw/zinc/48/08/56/822480856.db2.gz QAKCOMYGFZHLRP-UHFFFAOYSA-N 1 2 391.338 4.340 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000183533411 822491260 /nfs/dbraw/zinc/49/12/60/822491260.db2.gz WLYBAWVBFPTHQJ-CXAGYDPISA-N 1 2 392.450 4.454 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(C2SCCCS2)cc1 ZINC000046617250 822493355 /nfs/dbraw/zinc/49/33/55/822493355.db2.gz CYQMNWHYLAAPIL-UHFFFAOYSA-N 1 2 399.585 4.349 20 0 GIADLO O=C(COc1ccc(Cl)c2ccccc12)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617280 822493595 /nfs/dbraw/zinc/49/35/95/822493595.db2.gz FEBBNMOSUCDHAX-UHFFFAOYSA-N 1 2 395.890 4.052 20 0 GIADLO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nc(COc3ccc(F)cc3)no2)cc1 ZINC000179533708 822498731 /nfs/dbraw/zinc/49/87/31/822498731.db2.gz OKFKMEJEJAJWNC-HNNXBMFYSA-N 1 2 385.439 4.426 20 0 GIADLO Cc1cc(N2CCOCC2)ccc1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000179588249 822507785 /nfs/dbraw/zinc/50/77/85/822507785.db2.gz PNVPKHWYNJQHQB-UHFFFAOYSA-N 1 2 389.540 4.079 20 0 GIADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nc(-c3ccc(F)c(C)c3)no2)cc1OC ZINC000179618352 822513778 /nfs/dbraw/zinc/51/37/78/822513778.db2.gz LONINVDPWFDWIA-CQSZACIVSA-N 1 2 385.439 4.361 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000179629547 822515878 /nfs/dbraw/zinc/51/58/78/822515878.db2.gz MGGIRTTWSPKBPZ-UHFFFAOYSA-N 1 2 384.430 4.042 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000179629547 822515880 /nfs/dbraw/zinc/51/58/80/822515880.db2.gz MGGIRTTWSPKBPZ-UHFFFAOYSA-N 1 2 384.430 4.042 20 0 GIADLO Cc1cccc([C@@H](C)[NH2+]Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c1C ZINC000183728018 822517747 /nfs/dbraw/zinc/51/77/47/822517747.db2.gz SNWHCQVCAHZDKD-OAHLLOKOSA-N 1 2 388.512 4.297 20 0 GIADLO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000183733350 822518381 /nfs/dbraw/zinc/51/83/81/822518381.db2.gz RFGXTAQCLRXABT-UHFFFAOYSA-N 1 2 392.381 4.028 20 0 GIADLO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)c1nnc2ccccn21 ZINC000046836286 822522564 /nfs/dbraw/zinc/52/25/64/822522564.db2.gz MDVOAINEZJDWFJ-OAHLLOKOSA-N 1 2 393.878 4.208 20 0 GIADLO Cc1nscc1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000179686532 822527175 /nfs/dbraw/zinc/52/71/75/822527175.db2.gz RZMDGMLEPBCGAK-UHFFFAOYSA-N 1 2 388.496 4.293 20 0 GIADLO CCc1ccccc1NC(=O)CN1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179703430 822531244 /nfs/dbraw/zinc/53/12/44/822531244.db2.gz DSCXGWDZEOOPCH-AATRIKPKSA-N 1 2 397.950 4.172 20 0 GIADLO Brc1cccc(OC2CC[NH+](Cc3cn4ccsc4n3)CC2)c1 ZINC000183822091 822532305 /nfs/dbraw/zinc/53/23/05/822532305.db2.gz RKYZENIIYGUHMP-UHFFFAOYSA-N 1 2 392.322 4.202 20 0 GIADLO FC(F)Oc1ccc([C@H]([NH2+]Cc2nnc3ccccn32)c2ccccc2)cc1 ZINC000183823535 822532362 /nfs/dbraw/zinc/53/23/62/822532362.db2.gz GZURTKOGEIDFAS-HXUWFJFHSA-N 1 2 380.398 4.210 20 0 GIADLO O=C(NCc1ccc(C(F)F)cc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000183842617 822534827 /nfs/dbraw/zinc/53/48/27/822534827.db2.gz NHPQQWXGKCDLGS-UHFFFAOYSA-N 1 2 386.402 4.221 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@H](O)c3ccc(Cl)cc3)n2)C1 ZINC000179729465 822536863 /nfs/dbraw/zinc/53/68/63/822536863.db2.gz GPXUPGFNVVGOND-GUYCJALGSA-N 1 2 393.940 4.091 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@H](O)c3ccc(Cl)cc3)n2)C1 ZINC000179729465 822536866 /nfs/dbraw/zinc/53/68/66/822536866.db2.gz GPXUPGFNVVGOND-GUYCJALGSA-N 1 2 393.940 4.091 20 0 GIADLO CC(=O)N(c1nc(C[NH2+][C@@H](CCCO)c2ccccc2)cs1)c1ccccc1 ZINC000179738038 822539458 /nfs/dbraw/zinc/53/94/58/822539458.db2.gz PLZCJVRZVVOCAK-NRFANRHFSA-N 1 2 395.528 4.431 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)c2ccc(Br)cc2)c1C ZINC000179752792 822543085 /nfs/dbraw/zinc/54/30/85/822543085.db2.gz PPCJTNWZAYPFOA-ZDUSSCGKSA-N 1 2 391.309 4.232 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1COc1ccccc1 ZINC000047123389 822545716 /nfs/dbraw/zinc/54/57/16/822545716.db2.gz UHNVJYPMWBESDK-UHFFFAOYSA-N 1 2 387.483 4.059 20 0 GIADLO C[N@@H+]1CCO[C@@H]([C@H](NCc2coc(-c3ccccc3)n2)c2ccc(Cl)cc2)C1 ZINC000179764574 822546845 /nfs/dbraw/zinc/54/68/45/822546845.db2.gz AYKDXFUBKRNRHP-NHCUHLMSSA-N 1 2 397.906 4.157 20 0 GIADLO C[N@H+]1CCO[C@@H]([C@H](NCc2coc(-c3ccccc3)n2)c2ccc(Cl)cc2)C1 ZINC000179764574 822546848 /nfs/dbraw/zinc/54/68/48/822546848.db2.gz AYKDXFUBKRNRHP-NHCUHLMSSA-N 1 2 397.906 4.157 20 0 GIADLO C[C@H](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000179799530 822554976 /nfs/dbraw/zinc/55/49/76/822554976.db2.gz RWYKAGBJLPTUKM-MRXNPFEDSA-N 1 2 395.890 4.110 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC[C@@H]1CCCC(F)(F)C1 ZINC000454920408 822557130 /nfs/dbraw/zinc/55/71/30/822557130.db2.gz JKYIIQHUWIBGIP-CYBMUJFWSA-N 1 2 382.842 4.150 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(-c3ncco3)cc2)CC1 ZINC000184038895 822568846 /nfs/dbraw/zinc/56/88/46/822568846.db2.gz KGSMGAOMAOVAFH-OAHLLOKOSA-N 1 2 382.489 4.314 20 0 GIADLO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000047371789 822571610 /nfs/dbraw/zinc/57/16/10/822571610.db2.gz RFGCTMAMRBRBST-ZDUSSCGKSA-N 1 2 394.491 4.054 20 0 GIADLO Cc1cc([C@@H]2CCCN2C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)on1 ZINC000047377867 822572678 /nfs/dbraw/zinc/57/26/78/822572678.db2.gz GFNSOAIQKGYBPW-BBRMVZONSA-N 1 2 389.525 4.040 20 0 GIADLO Cc1cc([C@@H]2CCCN2C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)on1 ZINC000047377867 822572680 /nfs/dbraw/zinc/57/26/80/822572680.db2.gz GFNSOAIQKGYBPW-BBRMVZONSA-N 1 2 389.525 4.040 20 0 GIADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000179899106 822573321 /nfs/dbraw/zinc/57/33/21/822573321.db2.gz XNIPFLRGWLXGCP-JTQLQIEISA-N 1 2 399.235 4.025 20 0 GIADLO CCCOc1cc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC ZINC000179941511 822581690 /nfs/dbraw/zinc/58/16/90/822581690.db2.gz XTNUUZDYJXDDQY-MRXNPFEDSA-N 1 2 391.533 4.081 20 0 GIADLO CCCOc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC ZINC000179941511 822581694 /nfs/dbraw/zinc/58/16/94/822581694.db2.gz XTNUUZDYJXDDQY-MRXNPFEDSA-N 1 2 391.533 4.081 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000184146602 822585738 /nfs/dbraw/zinc/58/57/38/822585738.db2.gz BLXPXUCUHONWHP-MRXNPFEDSA-N 1 2 381.501 4.320 20 0 GIADLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000184151366 822586410 /nfs/dbraw/zinc/58/64/10/822586410.db2.gz SAZQFPJQIWXARB-GHTZIAJQSA-N 1 2 399.535 4.210 20 0 GIADLO C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455107992 822589879 /nfs/dbraw/zinc/58/98/79/822589879.db2.gz LXONGAUHHLDJRZ-AAEUAGOBSA-N 1 2 386.805 4.008 20 0 GIADLO Cc1ccccc1-c1noc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)n1 ZINC000179993594 822592410 /nfs/dbraw/zinc/59/24/10/822592410.db2.gz CBTYRQJDZXIYFM-CABCVRRESA-N 1 2 376.460 4.342 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccc2c(c1)CCC(=O)N2 ZINC000179998331 822593171 /nfs/dbraw/zinc/59/31/71/822593171.db2.gz PNIIXJSKJYVHEN-GFCCVEGCSA-N 1 2 382.851 4.126 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000184201055 822595123 /nfs/dbraw/zinc/59/51/23/822595123.db2.gz LQDJTOVCCAKWJU-SECBINFHSA-N 1 2 377.819 4.413 20 0 GIADLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(-c4ccccc4)o3)ccc2NC1=O ZINC000180023074 822598745 /nfs/dbraw/zinc/59/87/45/822598745.db2.gz PVNJSCWWBSOHEZ-KDOFPFPSSA-N 1 2 377.444 4.302 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ncccc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180039402 822602684 /nfs/dbraw/zinc/60/26/84/822602684.db2.gz FKWCCCUEEFILRG-SJORKVTESA-N 1 2 376.863 4.140 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ncccc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180039402 822602685 /nfs/dbraw/zinc/60/26/85/822602685.db2.gz FKWCCCUEEFILRG-SJORKVTESA-N 1 2 376.863 4.140 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2ccc(C)cn2)cc1 ZINC000184268316 822606118 /nfs/dbraw/zinc/60/61/18/822606118.db2.gz CRJGWMQIYFWCII-UHFFFAOYSA-N 1 2 393.491 4.110 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N[C@@H]1CCSc2ccccc21 ZINC000047869712 822615453 /nfs/dbraw/zinc/61/54/53/822615453.db2.gz MEOBPSJEOQQEGB-LJQANCHMSA-N 1 2 392.528 4.010 20 0 GIADLO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)c3nc4ccccc4c(=O)[nH]3)c(C)c2c1 ZINC000184330717 822616305 /nfs/dbraw/zinc/61/63/05/822616305.db2.gz KOWOZZKBGSUJKK-KGLIPLIRSA-N 1 2 377.444 4.398 20 0 GIADLO C[C@@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccn1 ZINC000047888763 822616741 /nfs/dbraw/zinc/61/67/41/822616741.db2.gz FBGWWNMBFJXCCO-RDTXWAMCSA-N 1 2 390.890 4.071 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nn1-c1ccccc1Cl ZINC000180128222 822621472 /nfs/dbraw/zinc/62/14/72/822621472.db2.gz PPFQMOQQEGTPGF-RDTXWAMCSA-N 1 2 398.898 4.146 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000180133145 822622733 /nfs/dbraw/zinc/62/27/33/822622733.db2.gz MHPWHFOKMBTIQO-UHFFFAOYSA-N 1 2 384.814 4.350 20 0 GIADLO CSc1c(F)cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000184391714 822627245 /nfs/dbraw/zinc/62/72/45/822627245.db2.gz KZVGPGBEAJDXFI-UHFFFAOYSA-N 1 2 388.443 4.253 20 0 GIADLO Cc1c(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cccc1N(C)C ZINC000180187615 822635243 /nfs/dbraw/zinc/63/52/43/822635243.db2.gz VWWWLTSQDFKOJQ-FCHUYYIVSA-N 1 2 389.503 4.308 20 0 GIADLO OC1CC[NH+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180211749 822640200 /nfs/dbraw/zinc/64/02/00/822640200.db2.gz IUUKVLOJYHYSSS-OAQYLSRUSA-N 1 2 376.903 4.005 20 0 GIADLO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c(C)c1 ZINC000184469059 822641471 /nfs/dbraw/zinc/64/14/71/822641471.db2.gz BXLBXBGHCWPKND-CQSZACIVSA-N 1 2 388.537 4.056 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c[nH+]1 ZINC000455389876 822645242 /nfs/dbraw/zinc/64/52/42/822645242.db2.gz WZYNWXCFDHKNJN-UHFFFAOYSA-N 1 2 385.361 4.490 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184501458 822646269 /nfs/dbraw/zinc/64/62/69/822646269.db2.gz GGKDPWLNDLSLAZ-KBPBESRZSA-N 1 2 375.538 4.435 20 0 GIADLO CCCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184507090 822647195 /nfs/dbraw/zinc/64/71/95/822647195.db2.gz CCAFVMKQDSPWQH-HNNXBMFYSA-N 1 2 389.565 4.196 20 0 GIADLO O=c1cc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c2ccc(O)cc2o1 ZINC000180245093 822647220 /nfs/dbraw/zinc/64/72/20/822647220.db2.gz ZHNJZUJJAPQIGW-MRXNPFEDSA-N 1 2 381.325 4.421 20 0 GIADLO CC(C)[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(Cl)cc1F ZINC000180259496 822649780 /nfs/dbraw/zinc/64/97/80/822649780.db2.gz LMMLISDRHWVSBF-SFHVURJKSA-N 1 2 383.920 4.053 20 0 GIADLO CC(C)[N@H+](Cc1ccccn1)Cc1cc2c(cc1Br)OCCO2 ZINC000048272791 822650767 /nfs/dbraw/zinc/65/07/67/822650767.db2.gz NHAMAWIFKOKJKH-UHFFFAOYSA-N 1 2 377.282 4.026 20 0 GIADLO CC(C)[N@@H+](Cc1ccccn1)Cc1cc2c(cc1Br)OCCO2 ZINC000048272791 822650769 /nfs/dbraw/zinc/65/07/69/822650769.db2.gz NHAMAWIFKOKJKH-UHFFFAOYSA-N 1 2 377.282 4.026 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CCCS(=O)(=O)c3ccccc3)CC2)c(C)c1 ZINC000048275781 822650909 /nfs/dbraw/zinc/65/09/09/822650909.db2.gz YDRFQPIBXIYTCX-UHFFFAOYSA-N 1 2 399.556 4.062 20 0 GIADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccco1 ZINC000184555115 822656525 /nfs/dbraw/zinc/65/65/25/822656525.db2.gz CWWLKUQOBKDTIQ-IINYFYTJSA-N 1 2 390.789 4.256 20 0 GIADLO O=C(NCc1ccc(C(F)F)cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000184581733 822661116 /nfs/dbraw/zinc/66/11/16/822661116.db2.gz NHJQBUPGUPGILY-GOSISDBHSA-N 1 2 376.472 4.031 20 0 GIADLO CC(C)(C)CN(CC(C)(C)C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000180308936 822661122 /nfs/dbraw/zinc/66/11/22/822661122.db2.gz PDXQJBSPMLPELN-UHFFFAOYSA-N 1 2 398.551 4.446 20 0 GIADLO Cc1cc(C)c(NC(=O)NC[C@@H](C)Oc2ccccc2Br)c(C)[nH+]1 ZINC000455480109 822662649 /nfs/dbraw/zinc/66/26/49/822662649.db2.gz HHILVXPVNVMZKS-CYBMUJFWSA-N 1 2 392.297 4.358 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(/C(Cl)=C/c3cccc4[nH+]ccn43)nc2c1 ZINC000180319235 822662845 /nfs/dbraw/zinc/66/28/45/822662845.db2.gz RMCPVMNLRBCQLN-UVTDQMKNSA-N 1 2 387.848 4.006 20 0 GIADLO Cc1cc2oc(=O)cc(C[NH2+][C@H](c3cnn(C)c3)c3ccc(F)cc3)c2cc1C ZINC000184594079 822663114 /nfs/dbraw/zinc/66/31/14/822663114.db2.gz KKTCVYXRMDTPHV-QHCPKHFHSA-N 1 2 391.446 4.162 20 0 GIADLO CCOc1cc2c(cc1OCC)CN(C(=O)Nc1c(C)cc(C)[nH+]c1C)CC2 ZINC000455488471 822664566 /nfs/dbraw/zinc/66/45/66/822664566.db2.gz UYTUADKPPKKMAD-UHFFFAOYSA-N 1 2 383.492 4.394 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(C)[nH+]1 ZINC000455494677 822665615 /nfs/dbraw/zinc/66/56/15/822665615.db2.gz NLZNMVVNBUPCIW-UHFFFAOYSA-N 1 2 392.425 4.380 20 0 GIADLO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1cc(C)cc[nH+]1 ZINC000180343154 822666770 /nfs/dbraw/zinc/66/67/70/822666770.db2.gz JRKFVFZVUMWZTG-UHFFFAOYSA-N 1 2 377.231 4.417 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000455525528 822670710 /nfs/dbraw/zinc/67/07/10/822670710.db2.gz PIAKKHMQWXZGEL-MRXNPFEDSA-N 1 2 381.398 4.271 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c[nH+]1 ZINC000455559301 822674667 /nfs/dbraw/zinc/67/46/67/822674667.db2.gz NPVJMOUBDVLJCB-GOSISDBHSA-N 1 2 375.419 4.177 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cs1 ZINC000184697782 822678301 /nfs/dbraw/zinc/67/83/01/822678301.db2.gz CXTBJTHIWDDSAF-LLVKDONJSA-N 1 2 386.348 4.322 20 0 GIADLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1O ZINC000184701609 822679115 /nfs/dbraw/zinc/67/91/15/822679115.db2.gz FKIBFAZFXVBYDL-KRWDZBQOSA-N 1 2 399.821 4.229 20 0 GIADLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1O ZINC000184701609 822679116 /nfs/dbraw/zinc/67/91/16/822679116.db2.gz FKIBFAZFXVBYDL-KRWDZBQOSA-N 1 2 399.821 4.229 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000455589815 822679721 /nfs/dbraw/zinc/67/97/21/822679721.db2.gz MXAHMKSEDHWDGE-ZHALLVOQSA-N 1 2 386.927 4.299 20 0 GIADLO Cc1ccc(-n2c(SCCCn3cc[nH+]c3)nnc2-c2ccccn2)c(C)c1 ZINC000180435793 822681359 /nfs/dbraw/zinc/68/13/59/822681359.db2.gz ZJRCMWIKZLHNAQ-UHFFFAOYSA-N 1 2 390.516 4.325 20 0 GIADLO Cc1cccc(Oc2ncccc2NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1C ZINC000180436939 822681687 /nfs/dbraw/zinc/68/16/87/822681687.db2.gz RRVFCNUHNRPZQG-GOSISDBHSA-N 1 2 391.475 4.384 20 0 GIADLO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)c(OC)c1 ZINC000048776806 822682217 /nfs/dbraw/zinc/68/22/17/822682217.db2.gz QXQIISAPDVOICP-UHFFFAOYSA-N 1 2 389.858 4.280 20 0 GIADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cs1 ZINC000184730056 822683440 /nfs/dbraw/zinc/68/34/40/822683440.db2.gz JZBZOFPVVJAQIR-RNFRBKRXSA-N 1 2 393.381 4.079 20 0 GIADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)cs1 ZINC000184740040 822684741 /nfs/dbraw/zinc/68/47/41/822684741.db2.gz YQHMSKYFMMDJMS-RYUDHWBXSA-N 1 2 385.489 4.332 20 0 GIADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1)c1ccc(C)o1 ZINC000184753787 822686228 /nfs/dbraw/zinc/68/62/28/822686228.db2.gz VMBBTMCXUJARTA-PGRDOPGGSA-N 1 2 392.499 4.483 20 0 GIADLO CC[N@H+](Cc1ccc(C(=O)[O-])cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000455645345 822690083 /nfs/dbraw/zinc/69/00/83/822690083.db2.gz QIRORAJCDIMENG-UHFFFAOYSA-N 1 2 396.535 4.098 20 0 GIADLO CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000455645345 822690084 /nfs/dbraw/zinc/69/00/84/822690084.db2.gz QIRORAJCDIMENG-UHFFFAOYSA-N 1 2 396.535 4.098 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000184795254 822692001 /nfs/dbraw/zinc/69/20/01/822692001.db2.gz QPJRAJQWKWXKFX-XHDPSFHLSA-N 1 2 385.291 4.453 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc([C@H]4CCOC4)cc3)CC2)s1 ZINC000455656835 822692776 /nfs/dbraw/zinc/69/27/76/822692776.db2.gz BYPYPGUZWVHMHR-SFHVURJKSA-N 1 2 399.560 4.164 20 0 GIADLO CSCc1ccccc1NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000184814667 822694803 /nfs/dbraw/zinc/69/48/03/822694803.db2.gz TXQCJZUBASTITA-UHFFFAOYSA-N 1 2 398.576 4.406 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000180522446 822695635 /nfs/dbraw/zinc/69/56/35/822695635.db2.gz UDVQQWZXVXCPKV-UHFFFAOYSA-N 1 2 383.540 4.258 20 0 GIADLO S=c1oc(-c2ccc(Cl)cc2)nn1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000184828599 822696543 /nfs/dbraw/zinc/69/65/43/822696543.db2.gz ITLLBXSHKFSJJD-UHFFFAOYSA-N 1 2 397.953 4.081 20 0 GIADLO S=c1oc(-c2ccc(Cl)cc2)nn1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000184828599 822696545 /nfs/dbraw/zinc/69/65/45/822696545.db2.gz ITLLBXSHKFSJJD-UHFFFAOYSA-N 1 2 397.953 4.081 20 0 GIADLO COc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cc1OC ZINC000184840299 822698393 /nfs/dbraw/zinc/69/83/93/822698393.db2.gz RGBUKZNZIFURMI-SNVBAGLBSA-N 1 2 384.245 4.162 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)o1 ZINC000184854156 822700885 /nfs/dbraw/zinc/70/08/85/822700885.db2.gz JWNBKHDGDAJYGG-CXAGYDPISA-N 1 2 394.899 4.117 20 0 GIADLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184855820 822701266 /nfs/dbraw/zinc/70/12/66/822701266.db2.gz QTZCDQVZFOSFOG-JKSUJKDBSA-N 1 2 379.460 4.418 20 0 GIADLO CCCc1noc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000180600734 822709009 /nfs/dbraw/zinc/70/90/09/822709009.db2.gz FVWZGBZPWWOPSD-CQSZACIVSA-N 1 2 382.439 4.264 20 0 GIADLO CCCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184903925 822710660 /nfs/dbraw/zinc/71/06/60/822710660.db2.gz VCEZVYSCNIDBEK-KRWDZBQOSA-N 1 2 393.487 4.097 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184904270 822710687 /nfs/dbraw/zinc/71/06/87/822710687.db2.gz KYTGYJLPMXWDOT-LSDHHAIUSA-N 1 2 377.444 4.222 20 0 GIADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1sccc1-c1ccccc1 ZINC000049958348 822712470 /nfs/dbraw/zinc/71/24/70/822712470.db2.gz OUWAFUNAAGGSAU-HXUWFJFHSA-N 1 2 392.524 4.046 20 0 GIADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1sccc1-c1ccccc1 ZINC000049958348 822712472 /nfs/dbraw/zinc/71/24/72/822712472.db2.gz OUWAFUNAAGGSAU-HXUWFJFHSA-N 1 2 392.524 4.046 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(OCc2ccccc2F)cc1 ZINC000050082723 822717863 /nfs/dbraw/zinc/71/78/63/822717863.db2.gz OZQMMRBLTMSZRF-UHFFFAOYSA-N 1 2 382.439 4.203 20 0 GIADLO CCCn1ncc(NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1C1CC1 ZINC000455744124 822718275 /nfs/dbraw/zinc/71/82/75/822718275.db2.gz BIATWKSELOIBQJ-OAHLLOKOSA-N 1 2 378.480 4.239 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050231513 822721991 /nfs/dbraw/zinc/72/19/91/822721991.db2.gz PYFSJCIGBNSTPR-NRFANRHFSA-N 1 2 384.495 4.316 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050231513 822721993 /nfs/dbraw/zinc/72/19/93/822721993.db2.gz PYFSJCIGBNSTPR-NRFANRHFSA-N 1 2 384.495 4.316 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC000184988285 822722331 /nfs/dbraw/zinc/72/23/31/822722331.db2.gz QJUIZUAGHPLTEO-INIZCTEOSA-N 1 2 386.542 4.444 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)s1 ZINC000184987396 822722355 /nfs/dbraw/zinc/72/23/55/822722355.db2.gz NJJBJZLJHPVQDO-JTQLQIEISA-N 1 2 394.472 4.143 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=S)Nc2ccc(OC(F)(F)F)cc2)c1C ZINC000050254103 822722760 /nfs/dbraw/zinc/72/27/60/822722760.db2.gz CDMBUCQVMGLDSX-UHFFFAOYSA-N 1 2 385.411 4.092 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)s1 ZINC000184994814 822723006 /nfs/dbraw/zinc/72/30/06/822723006.db2.gz WRFFOCVKKKPZBJ-CYBMUJFWSA-N 1 2 389.908 4.332 20 0 GIADLO CCc1nc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cs1 ZINC000184997638 822723362 /nfs/dbraw/zinc/72/33/62/822723362.db2.gz OMIWYIKVTUXTHC-YPMHNXCESA-N 1 2 383.439 4.180 20 0 GIADLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cs1 ZINC000184997598 822723383 /nfs/dbraw/zinc/72/33/83/822723383.db2.gz OMIWYIKVTUXTHC-DGCLKSJQSA-N 1 2 383.439 4.180 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)NCCC(c2ccccc2)c2ccccc2)s1 ZINC000185016258 822725688 /nfs/dbraw/zinc/72/56/88/822725688.db2.gz HPRJXNPHRNCYBY-GOSISDBHSA-N 1 2 393.556 4.441 20 0 GIADLO COCC1=CC[N@H+](Cn2ccn(-c3ccc(Br)cc3)c2=S)CC1 ZINC000185051994 822729623 /nfs/dbraw/zinc/72/96/23/822729623.db2.gz WLPALXNUQPUMEV-UHFFFAOYSA-N 1 2 394.338 4.007 20 0 GIADLO COCC1=CC[N@@H+](Cn2ccn(-c3ccc(Br)cc3)c2=S)CC1 ZINC000185051994 822729625 /nfs/dbraw/zinc/72/96/25/822729625.db2.gz WLPALXNUQPUMEV-UHFFFAOYSA-N 1 2 394.338 4.007 20 0 GIADLO O=C(CCCOc1ccccc1Cl)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000050559423 822733622 /nfs/dbraw/zinc/73/36/22/822733622.db2.gz ILOUQYJKOIJYFG-UHFFFAOYSA-N 1 2 383.879 4.060 20 0 GIADLO O=C(CCCOc1ccccc1Cl)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000050561936 822733672 /nfs/dbraw/zinc/73/36/72/822733672.db2.gz JTLRGIWHVSJHCM-UHFFFAOYSA-N 1 2 383.879 4.060 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)c1nccs1 ZINC000185078723 822734019 /nfs/dbraw/zinc/73/40/19/822734019.db2.gz XFFHCZGFOLLVFA-PKOBYXMFSA-N 1 2 375.513 4.371 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1nccs1 ZINC000185110485 822738385 /nfs/dbraw/zinc/73/83/85/822738385.db2.gz RTMQHXGGZOKQQG-HNNXBMFYSA-N 1 2 387.505 4.254 20 0 GIADLO CCCOc1ncccc1C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185143313 822742473 /nfs/dbraw/zinc/74/24/73/822742473.db2.gz KJOIQYROJYBBEL-LLVKDONJSA-N 1 2 383.261 4.328 20 0 GIADLO COCC[N@H+](Cn1nc(-c2ccccc2F)n(C2CC2)c1=S)C1CCCC1 ZINC000050899114 822742524 /nfs/dbraw/zinc/74/25/24/822742524.db2.gz YGYJPSSNJKPZQB-UHFFFAOYSA-N 1 2 390.528 4.404 20 0 GIADLO COCC[N@@H+](Cn1nc(-c2ccccc2F)n(C2CC2)c1=S)C1CCCC1 ZINC000050899114 822742525 /nfs/dbraw/zinc/74/25/25/822742525.db2.gz YGYJPSSNJKPZQB-UHFFFAOYSA-N 1 2 390.528 4.404 20 0 GIADLO Cc1nc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)sc1Cc1cccc(F)c1 ZINC000455886571 822742592 /nfs/dbraw/zinc/74/25/92/822742592.db2.gz HLVBWOSGXOLCDO-OAHLLOKOSA-N 1 2 399.495 4.316 20 0 GIADLO CCc1ccc(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000455889894 822743123 /nfs/dbraw/zinc/74/31/23/822743123.db2.gz BHVKWVYLAJIJJY-UHFFFAOYSA-N 1 2 396.535 4.423 20 0 GIADLO CC(C)c1ccc(CCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000051035595 822744611 /nfs/dbraw/zinc/74/46/11/822744611.db2.gz DDPBBYDZXWRCJA-UHFFFAOYSA-N 1 2 375.516 4.346 20 0 GIADLO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1nc(C(C)(C)C)no1 ZINC000185178589 822745911 /nfs/dbraw/zinc/74/59/11/822745911.db2.gz JKEDJKGPKYYZSC-VQIMIIECSA-N 1 2 395.503 4.125 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1C ZINC000051133554 822747699 /nfs/dbraw/zinc/74/76/99/822747699.db2.gz LTWXPGNFOQKQSQ-AUSIDOKSSA-N 1 2 382.504 4.117 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1C ZINC000051133554 822747701 /nfs/dbraw/zinc/74/77/01/822747701.db2.gz LTWXPGNFOQKQSQ-AUSIDOKSSA-N 1 2 382.504 4.117 20 0 GIADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000455938721 822753450 /nfs/dbraw/zinc/75/34/50/822753450.db2.gz ZJFDLOWVILOJMR-UTKZUKDTSA-N 1 2 397.881 4.486 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cc(Br)cc(F)c1O ZINC000185262143 822756403 /nfs/dbraw/zinc/75/64/03/822756403.db2.gz UQMROLVKVMPQLN-NSHDSACASA-N 1 2 395.272 4.328 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1C ZINC000051335603 822756630 /nfs/dbraw/zinc/75/66/30/822756630.db2.gz NALXSKNORFPARS-UHFFFAOYSA-N 1 2 381.398 4.067 20 0 GIADLO CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185321037 822765514 /nfs/dbraw/zinc/76/55/14/822765514.db2.gz IBONWAODIRKTPV-HXUWFJFHSA-N 1 2 390.487 4.331 20 0 GIADLO CCCC(=O)Nc1cccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1C ZINC000051643868 822770447 /nfs/dbraw/zinc/77/04/47/822770447.db2.gz JVQCTIAOLBDKGC-UHFFFAOYSA-N 1 2 384.480 4.076 20 0 GIADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174344219 822775687 /nfs/dbraw/zinc/77/56/87/822775687.db2.gz SRJCBPBWPKHLJO-QGZVFWFLSA-N 1 2 375.476 4.053 20 0 GIADLO CC(C)(CNC(=O)NCCCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000051777981 822778055 /nfs/dbraw/zinc/77/80/55/822778055.db2.gz JZANBVOCVHPXSB-UHFFFAOYSA-N 1 2 383.323 4.247 20 0 GIADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)on1 ZINC000052007475 822786564 /nfs/dbraw/zinc/78/65/64/822786564.db2.gz AIJGEBPAMVJGCD-BLLLJJGKSA-N 1 2 382.291 4.304 20 0 GIADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)on1 ZINC000052007475 822786566 /nfs/dbraw/zinc/78/65/66/822786566.db2.gz AIJGEBPAMVJGCD-BLLLJJGKSA-N 1 2 382.291 4.304 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(F)c(Br)c2)c1C ZINC000174424035 822788259 /nfs/dbraw/zinc/78/82/59/822788259.db2.gz MQNHKSJDFQUZKO-UHFFFAOYSA-N 1 2 396.260 4.273 20 0 GIADLO COc1cc(C)c([C@@H](C)Nc2[nH+]cnc3c2cnn3-c2ccccc2)cc1OC ZINC000052159004 822791650 /nfs/dbraw/zinc/79/16/50/822791650.db2.gz NBYSSLDVIZXJTQ-OAHLLOKOSA-N 1 2 389.459 4.314 20 0 GIADLO CCOc1ccccc1NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174455672 822792417 /nfs/dbraw/zinc/79/24/17/822792417.db2.gz PQBNTYWVZLIDKZ-UHFFFAOYSA-N 1 2 382.508 4.251 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cccc(Oc2ccccn2)c1 ZINC000174507589 822798495 /nfs/dbraw/zinc/79/84/95/822798495.db2.gz YPIGDUCUKLHIQU-UHFFFAOYSA-N 1 2 399.454 4.440 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cccc(Cl)c3F)CC2)cc1 ZINC000174574269 822806880 /nfs/dbraw/zinc/80/68/80/822806880.db2.gz GCFPKUPJDDYZTG-UHFFFAOYSA-N 1 2 390.890 4.336 20 0 GIADLO Clc1cccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)n1 ZINC000174592696 822809381 /nfs/dbraw/zinc/80/93/81/822809381.db2.gz JLBFWWYNSWWZDH-UHFFFAOYSA-N 1 2 385.924 4.204 20 0 GIADLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847864 822812674 /nfs/dbraw/zinc/81/26/74/822812674.db2.gz UXTBQJYUSSPXES-SECBINFHSA-N 1 2 388.718 4.018 20 0 GIADLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847864 822812676 /nfs/dbraw/zinc/81/26/76/822812676.db2.gz UXTBQJYUSSPXES-SECBINFHSA-N 1 2 388.718 4.018 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1O ZINC000174629786 822814546 /nfs/dbraw/zinc/81/45/46/822814546.db2.gz JGFUTMLZGJTOJC-CQSZACIVSA-N 1 2 376.884 4.130 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1O ZINC000174629786 822814550 /nfs/dbraw/zinc/81/45/50/822814550.db2.gz JGFUTMLZGJTOJC-CQSZACIVSA-N 1 2 376.884 4.130 20 0 GIADLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc2)c1 ZINC000174631392 822814633 /nfs/dbraw/zinc/81/46/33/822814633.db2.gz HHLSGUAOZSFARF-NRFANRHFSA-N 1 2 387.451 4.248 20 0 GIADLO COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)o1 ZINC000052927255 822815942 /nfs/dbraw/zinc/81/59/42/822815942.db2.gz AKLZHLFSHPZSMK-UHFFFAOYSA-N 1 2 389.411 4.305 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(Br)s3)n2)c1 ZINC000174656353 822818897 /nfs/dbraw/zinc/81/88/97/822818897.db2.gz LNOGKOGXBYCSIR-JTQLQIEISA-N 1 2 394.294 4.420 20 0 GIADLO COc1ccccc1NC(=O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000053109123 822822010 /nfs/dbraw/zinc/82/20/10/822822010.db2.gz FCMOZEZMSFOSMW-UHFFFAOYSA-N 1 2 378.394 4.317 20 0 GIADLO COc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000053109123 822822014 /nfs/dbraw/zinc/82/20/14/822822014.db2.gz FCMOZEZMSFOSMW-UHFFFAOYSA-N 1 2 378.394 4.317 20 0 GIADLO COc1ccc(OC)c(NC(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000053115978 822822519 /nfs/dbraw/zinc/82/25/19/822822519.db2.gz GXVPBHZCDOKMOF-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1ccc(OC)c(NC(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000053115978 822822523 /nfs/dbraw/zinc/82/25/23/822822523.db2.gz GXVPBHZCDOKMOF-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000053127045 822822931 /nfs/dbraw/zinc/82/29/31/822822931.db2.gz MAAZTKZHZNQXCB-SUMWQHHRSA-N 1 2 392.409 4.195 20 0 GIADLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000053127045 822822934 /nfs/dbraw/zinc/82/29/34/822822934.db2.gz MAAZTKZHZNQXCB-SUMWQHHRSA-N 1 2 392.409 4.195 20 0 GIADLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000053144254 822823384 /nfs/dbraw/zinc/82/33/84/822823384.db2.gz KXXXTYSZJDESSB-WDEREUQCSA-N 1 2 386.348 4.456 20 0 GIADLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000053144254 822823388 /nfs/dbraw/zinc/82/33/88/822823388.db2.gz KXXXTYSZJDESSB-WDEREUQCSA-N 1 2 386.348 4.456 20 0 GIADLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 ZINC000053147560 822823493 /nfs/dbraw/zinc/82/34/93/822823493.db2.gz AHRQMKUYCGAEMZ-FQEVSTJZSA-N 1 2 377.879 4.138 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000053157962 822824224 /nfs/dbraw/zinc/82/42/24/822824224.db2.gz QFOXZRUSVDYYMK-FQEVSTJZSA-N 1 2 397.906 4.008 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000053157962 822824225 /nfs/dbraw/zinc/82/42/25/822824225.db2.gz QFOXZRUSVDYYMK-FQEVSTJZSA-N 1 2 397.906 4.008 20 0 GIADLO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(Cl)cc(Cl)c1OC)n2C ZINC000185833067 822825555 /nfs/dbraw/zinc/82/55/55/822825555.db2.gz KTZIJXYOSWNFDS-UHFFFAOYSA-N 1 2 380.275 4.187 20 0 GIADLO Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000185871018 822828953 /nfs/dbraw/zinc/82/89/53/822828953.db2.gz LXVQSDOXVIDMBQ-UHFFFAOYSA-N 1 2 377.398 4.102 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCOc4ccc(F)cc43)cn2c1 ZINC000053368679 822832108 /nfs/dbraw/zinc/83/21/08/822832108.db2.gz CCAQBDBHJULGLY-GOSISDBHSA-N 1 2 399.491 4.045 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H]1c1ccc(F)cc1C ZINC000456822652 822835246 /nfs/dbraw/zinc/83/52/46/822835246.db2.gz BJKIHGYRHFABPH-LJQANCHMSA-N 1 2 387.405 4.434 20 0 GIADLO Cc1cc(C)c(CNC(=O)CCCCOc2ccc(Br)cc2)c[nH+]1 ZINC000456830776 822836082 /nfs/dbraw/zinc/83/60/82/822836082.db2.gz DIMUIHYYVFXWPT-UHFFFAOYSA-N 1 2 391.309 4.326 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185959843 822837692 /nfs/dbraw/zinc/83/76/92/822837692.db2.gz JXVZFUWUUOHSLC-AAEUAGOBSA-N 1 2 377.476 4.382 20 0 GIADLO CC[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1nc(C(F)(F)F)cs1 ZINC000185962301 822838068 /nfs/dbraw/zinc/83/80/68/822838068.db2.gz UVXMPWPPHARILI-GFCCVEGCSA-N 1 2 384.379 4.215 20 0 GIADLO O=C(CSc1ccc(F)c(Cl)c1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000053543790 822840010 /nfs/dbraw/zinc/84/00/10/822840010.db2.gz PNJXWUGOBVDPOX-UHFFFAOYSA-N 1 2 385.917 4.262 20 0 GIADLO COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(C)ccc3-n3cc[nH+]c3)C2)c1 ZINC000456917780 822841405 /nfs/dbraw/zinc/84/14/05/822841405.db2.gz DEVKUCFHIREIPH-WGSAOQKQSA-N 1 2 375.472 4.208 20 0 GIADLO Cc1noc(C2CC[NH+](CC(=O)N[C@@H](c3ccc(C(C)C)cc3)C(C)C)CC2)n1 ZINC000053640953 822843537 /nfs/dbraw/zinc/84/35/37/822843537.db2.gz FRIIBHYNGDHGHC-JOCHJYFZSA-N 1 2 398.551 4.194 20 0 GIADLO Fc1cccc([C@H]2C[C@@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1F ZINC000174838685 822844491 /nfs/dbraw/zinc/84/44/91/822844491.db2.gz CGNPHTZKUXAAOR-MSOLQXFVSA-N 1 2 397.425 4.118 20 0 GIADLO Cc1cccc([C@@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1C ZINC000174861266 822847907 /nfs/dbraw/zinc/84/79/07/822847907.db2.gz SCWWAHRKRJLTIK-NRFANRHFSA-N 1 2 378.520 4.345 20 0 GIADLO COCCOc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1OC ZINC000186062514 822848538 /nfs/dbraw/zinc/84/85/38/822848538.db2.gz HLENVOINEFHQNY-KRWDZBQOSA-N 1 2 393.487 4.028 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000174895892 822852076 /nfs/dbraw/zinc/85/20/76/822852076.db2.gz LPISYIOQRQNFCT-PMACEKPBSA-N 1 2 399.485 4.228 20 0 GIADLO O=C(CCSc1ccccc1Cl)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000053896685 822852334 /nfs/dbraw/zinc/85/23/34/822852334.db2.gz OILOTADWOSSPMI-UHFFFAOYSA-N 1 2 385.920 4.383 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCC(=O)c1ccc(C)cc1 ZINC000174912946 822854927 /nfs/dbraw/zinc/85/49/27/822854927.db2.gz FGXONVAGCRQKKO-UHFFFAOYSA-N 1 2 393.531 4.118 20 0 GIADLO O=C(Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1)C1CC1 ZINC000174931145 822857491 /nfs/dbraw/zinc/85/74/91/822857491.db2.gz WGOLGXJMYUGVHI-OAQYLSRUSA-N 1 2 395.478 4.167 20 0 GIADLO O=C(Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1)C1CC1 ZINC000174931145 822857494 /nfs/dbraw/zinc/85/74/94/822857494.db2.gz WGOLGXJMYUGVHI-OAQYLSRUSA-N 1 2 395.478 4.167 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000054030270 822859575 /nfs/dbraw/zinc/85/95/75/822859575.db2.gz FRWWBVBFUMANMJ-UHFFFAOYSA-N 1 2 375.447 4.390 20 0 GIADLO Cc1ccccc1-n1c(-c2cccnc2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000174950648 822860094 /nfs/dbraw/zinc/86/00/94/822860094.db2.gz CCVMKFLELUGYMW-WBVHZDCISA-N 1 2 379.533 4.462 20 0 GIADLO Cc1ccccc1-n1c(-c2cccnc2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000174950648 822860097 /nfs/dbraw/zinc/86/00/97/822860097.db2.gz CCVMKFLELUGYMW-WBVHZDCISA-N 1 2 379.533 4.462 20 0 GIADLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](c2cccc(C)c2)c2ccccn2)cc1 ZINC000186201693 822860510 /nfs/dbraw/zinc/86/05/10/822860510.db2.gz ZAAQVQFQTOAMMC-WMZHIEFXSA-N 1 2 394.540 4.240 20 0 GIADLO O=C(CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1cccs1 ZINC000054122338 822862993 /nfs/dbraw/zinc/86/29/93/822862993.db2.gz XERWMAVJJWIGLJ-UHFFFAOYSA-N 1 2 390.936 4.099 20 0 GIADLO O=C(CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1cccs1 ZINC000054122338 822862995 /nfs/dbraw/zinc/86/29/95/822862995.db2.gz XERWMAVJJWIGLJ-UHFFFAOYSA-N 1 2 390.936 4.099 20 0 GIADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000457297888 822863833 /nfs/dbraw/zinc/86/38/33/822863833.db2.gz ZJKMQLATYFKUPK-UZKOGDIHSA-N 1 2 375.516 4.298 20 0 GIADLO COc1ccccc1C1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCCC1 ZINC000054220806 822868922 /nfs/dbraw/zinc/86/89/22/822868922.db2.gz BZFBYSAOPFBZPX-UHFFFAOYSA-N 1 2 389.499 4.182 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cccc2Cl)c1 ZINC000175025507 822869988 /nfs/dbraw/zinc/86/99/88/822869988.db2.gz CCTLXKOABBNUQY-NEPJUHHUSA-N 1 2 380.847 4.174 20 0 GIADLO COc1ccc(SCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000054277359 822872609 /nfs/dbraw/zinc/87/26/09/822872609.db2.gz MDEBDOJTHLZGLA-AWEZNQCLSA-N 1 2 391.562 4.114 20 0 GIADLO COc1ccc(SCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000054277359 822872614 /nfs/dbraw/zinc/87/26/14/822872614.db2.gz MDEBDOJTHLZGLA-AWEZNQCLSA-N 1 2 391.562 4.114 20 0 GIADLO O=C(Cc1ccccc1OC1CCCC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457432869 822874818 /nfs/dbraw/zinc/87/48/18/822874818.db2.gz DGDXMDXHAXHLTB-UHFFFAOYSA-N 1 2 389.499 4.112 20 0 GIADLO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-c3ccc(Cl)cc3)o1)C2 ZINC000569069630 822876627 /nfs/dbraw/zinc/87/66/27/822876627.db2.gz QQGRZTOTGAXTSA-IBGZPJMESA-N 1 2 379.909 4.001 20 0 GIADLO O=S1(=O)CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-c3ccc(Cl)cc3)o1)C2 ZINC000569069630 822876631 /nfs/dbraw/zinc/87/66/31/822876631.db2.gz QQGRZTOTGAXTSA-IBGZPJMESA-N 1 2 379.909 4.001 20 0 GIADLO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2Br)cc1 ZINC000054424868 822883961 /nfs/dbraw/zinc/88/39/61/822883961.db2.gz RRDNCPANWIGVTM-UHFFFAOYSA-N 1 2 389.293 4.112 20 0 GIADLO CC(=O)c1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2Br)cc1 ZINC000054424868 822883967 /nfs/dbraw/zinc/88/39/67/822883967.db2.gz RRDNCPANWIGVTM-UHFFFAOYSA-N 1 2 389.293 4.112 20 0 GIADLO CCCCOc1cc(OC)ccc1-c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000569153077 822884810 /nfs/dbraw/zinc/88/48/10/822884810.db2.gz HLZYRNKZYKVRKX-UHFFFAOYSA-N 1 2 392.459 4.471 20 0 GIADLO CC[N@@H+](Cc1ccccc1C)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000054473884 822888542 /nfs/dbraw/zinc/88/85/42/822888542.db2.gz VSQIOZLZWBPZKJ-UHFFFAOYSA-N 1 2 382.533 4.415 20 0 GIADLO CC[N@H+](Cc1ccccc1C)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000054473884 822888549 /nfs/dbraw/zinc/88/85/49/822888549.db2.gz VSQIOZLZWBPZKJ-UHFFFAOYSA-N 1 2 382.533 4.415 20 0 GIADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1[nH]ccc1C1CC1 ZINC000457553452 822890005 /nfs/dbraw/zinc/89/00/05/822890005.db2.gz IQODNRRDKKWHNU-MRXNPFEDSA-N 1 2 375.875 4.079 20 0 GIADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1[nH]ccc1C1CC1 ZINC000457553452 822890013 /nfs/dbraw/zinc/89/00/13/822890013.db2.gz IQODNRRDKKWHNU-MRXNPFEDSA-N 1 2 375.875 4.079 20 0 GIADLO S=c1n(C[N@H+](C[C@@H]2CCOC2)C2CC2)nc(-c2ccco2)n1-c1ccccc1 ZINC000054495247 822890930 /nfs/dbraw/zinc/89/09/30/822890930.db2.gz RPRUPXBSYUYGMO-INIZCTEOSA-N 1 2 396.516 4.122 20 0 GIADLO S=c1n(C[N@@H+](C[C@@H]2CCOC2)C2CC2)nc(-c2ccco2)n1-c1ccccc1 ZINC000054495247 822890932 /nfs/dbraw/zinc/89/09/32/822890932.db2.gz RPRUPXBSYUYGMO-INIZCTEOSA-N 1 2 396.516 4.122 20 0 GIADLO O=C1/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1Cc1cccs1 ZINC000054499546 822891150 /nfs/dbraw/zinc/89/11/50/822891150.db2.gz VYBFTUFZSIQMNU-YBEGLDIGSA-N 1 2 383.523 4.335 20 0 GIADLO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000175145047 822891226 /nfs/dbraw/zinc/89/12/26/822891226.db2.gz QJLODVMUWSCQJB-UHFFFAOYSA-N 1 2 377.444 4.009 20 0 GIADLO Cc1ccc(-c2ocnc2C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000175150219 822892568 /nfs/dbraw/zinc/89/25/68/822892568.db2.gz SWIULGLGEUZGMM-UHFFFAOYSA-N 1 2 382.489 4.345 20 0 GIADLO CCC1CC[NH+](Cn2nc(Nc3cccc(NC(C)=O)c3)sc2=S)CC1 ZINC000054569053 822895995 /nfs/dbraw/zinc/89/59/95/822895995.db2.gz XMNQAIOAGOVCCV-UHFFFAOYSA-N 1 2 391.566 4.456 20 0 GIADLO O=C(c1csc(-c2ccccc2Cl)n1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186445197 822896840 /nfs/dbraw/zinc/89/68/40/822896840.db2.gz XWMKVHDYJIBBSU-UHFFFAOYSA-N 1 2 398.919 4.211 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175198101 822902260 /nfs/dbraw/zinc/90/22/60/822902260.db2.gz QVOTWUVBBZXGAT-UHFFFAOYSA-N 1 2 388.471 4.306 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000175198101 822902264 /nfs/dbraw/zinc/90/22/64/822902264.db2.gz QVOTWUVBBZXGAT-UHFFFAOYSA-N 1 2 388.471 4.306 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)CCc2cccs2)C[C@H](C)O1 ZINC000175210656 822905145 /nfs/dbraw/zinc/90/51/45/822905145.db2.gz FBHCPNXXNNHHQW-CALCHBBNSA-N 1 2 387.549 4.064 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)CCc2cccs2)C[C@H](C)O1 ZINC000175210656 822905148 /nfs/dbraw/zinc/90/51/48/822905148.db2.gz FBHCPNXXNNHHQW-CALCHBBNSA-N 1 2 387.549 4.064 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000186505928 822906003 /nfs/dbraw/zinc/90/60/03/822906003.db2.gz VNXYAHHHIIEXRG-SFHVURJKSA-N 1 2 394.462 4.355 20 0 GIADLO CNC(=O)c1ccc(C[N@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000186505928 822906007 /nfs/dbraw/zinc/90/60/07/822906007.db2.gz VNXYAHHHIIEXRG-SFHVURJKSA-N 1 2 394.462 4.355 20 0 GIADLO CO[C@H](C)c1nc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cs1 ZINC000175218636 822907274 /nfs/dbraw/zinc/90/72/74/822907274.db2.gz OXMAEADRULGERR-ACJLOTCBSA-N 1 2 380.941 4.450 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457709681 822909682 /nfs/dbraw/zinc/90/96/82/822909682.db2.gz OAAVDRIYANEFLU-WKPIXPDZSA-N 1 2 380.813 4.319 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)CC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457709681 822909685 /nfs/dbraw/zinc/90/96/85/822909685.db2.gz OAAVDRIYANEFLU-WKPIXPDZSA-N 1 2 380.813 4.319 20 0 GIADLO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569358508 822911039 /nfs/dbraw/zinc/91/10/39/822911039.db2.gz SKKAASWMQXORNJ-KSEOMHKRSA-N 1 2 392.547 4.445 20 0 GIADLO C[C@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1cccc(F)c1 ZINC000175262820 822918581 /nfs/dbraw/zinc/91/85/81/822918581.db2.gz WKCQVMZRPXNPMU-HTAPYJJXSA-N 1 2 392.478 4.363 20 0 GIADLO COc1ccc(SCCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000054911285 822920919 /nfs/dbraw/zinc/92/09/19/822920919.db2.gz ONDUHRBTISGGQB-UHFFFAOYSA-N 1 2 391.562 4.259 20 0 GIADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CCCC2CCCCC2)CC1 ZINC000186623221 822925201 /nfs/dbraw/zinc/92/52/01/822925201.db2.gz BBVGOOGNOGUERH-UHFFFAOYSA-N 1 2 385.552 4.040 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000569486267 822928550 /nfs/dbraw/zinc/92/85/50/822928550.db2.gz SUELAKDCSMBWMQ-HXUWFJFHSA-N 1 2 380.879 4.241 20 0 GIADLO C[C@@H](CC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)n1cc[nH+]c1 ZINC000569490240 822929002 /nfs/dbraw/zinc/92/90/02/822929002.db2.gz WAIMLQGWOPEKBO-XJKSGUPXSA-N 1 2 384.480 4.291 20 0 GIADLO C[N@H+](CCc1ccc(F)cc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000055022548 822932045 /nfs/dbraw/zinc/93/20/45/822932045.db2.gz PLOYKHKJKSHQOT-UHFFFAOYSA-N 1 2 393.487 4.465 20 0 GIADLO C[N@@H+](CCc1ccc(F)cc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000055022548 822932049 /nfs/dbraw/zinc/93/20/49/822932049.db2.gz PLOYKHKJKSHQOT-UHFFFAOYSA-N 1 2 393.487 4.465 20 0 GIADLO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1nc2c(s1)CCC2 ZINC000457921144 822936350 /nfs/dbraw/zinc/93/63/50/822936350.db2.gz NCUUXXYVSOWWLL-KDOFPFPSSA-N 1 2 387.524 4.003 20 0 GIADLO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1nc2c(s1)CCC2 ZINC000457921144 822936354 /nfs/dbraw/zinc/93/63/54/822936354.db2.gz NCUUXXYVSOWWLL-KDOFPFPSSA-N 1 2 387.524 4.003 20 0 GIADLO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175364130 822947165 /nfs/dbraw/zinc/94/71/65/822947165.db2.gz RWEWUAJWIRRHFL-SIKLNZKXSA-N 1 2 388.515 4.062 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000175404705 822960775 /nfs/dbraw/zinc/96/07/75/822960775.db2.gz JFNWISBBOXIOLY-VDBVYFBLSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000175404705 822960778 /nfs/dbraw/zinc/96/07/78/822960778.db2.gz JFNWISBBOXIOLY-VDBVYFBLSA-N 1 2 399.343 4.362 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1Cn1cccn1 ZINC000186823992 822961648 /nfs/dbraw/zinc/96/16/48/822961648.db2.gz OADZDZYQVYYZQT-INIZCTEOSA-N 1 2 398.507 4.094 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc2ccccc2cc1O ZINC000175415561 822963527 /nfs/dbraw/zinc/96/35/27/822963527.db2.gz ZFLGWIADHSBUKN-UHFFFAOYSA-N 1 2 389.499 4.319 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cc(F)c(OC)cc3C)CC2)s1 ZINC000186850845 822967612 /nfs/dbraw/zinc/96/76/12/822967612.db2.gz RDRVCSBDBLPVGV-UHFFFAOYSA-N 1 2 391.512 4.116 20 0 GIADLO Cc1ccccc1-c1cnc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000569782677 822968353 /nfs/dbraw/zinc/96/83/53/822968353.db2.gz GWXBPRCWYOMQPL-AVRDEDQJSA-N 1 2 395.890 4.365 20 0 GIADLO Cc1sc2[nH]c(C[NH2+]C(C)(C)c3cccc(Cl)c3F)nc(=O)c2c1C ZINC000186882324 822974188 /nfs/dbraw/zinc/97/41/88/822974188.db2.gz VDGZCSGJEPFVCS-UHFFFAOYSA-N 1 2 379.888 4.419 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000186931164 822982329 /nfs/dbraw/zinc/98/23/29/822982329.db2.gz BGTPLUQGJZZFQC-HSZRJFAPSA-N 1 2 378.447 4.470 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000186931164 822982332 /nfs/dbraw/zinc/98/23/32/822982332.db2.gz BGTPLUQGJZZFQC-HSZRJFAPSA-N 1 2 378.447 4.470 20 0 GIADLO Cc1cccc2c1C[C@H](c1nc([C@@H]3C[N@H+](Cc4ccccc4)[C@@H](C)CO3)no1)O2 ZINC000569900869 822983278 /nfs/dbraw/zinc/98/32/78/822983278.db2.gz DRAGBMQJQOBZDO-DQLDELGASA-N 1 2 391.471 4.016 20 0 GIADLO Cc1cccc2c1C[C@H](c1nc([C@@H]3C[N@@H+](Cc4ccccc4)[C@@H](C)CO3)no1)O2 ZINC000569900869 822983281 /nfs/dbraw/zinc/98/32/81/822983281.db2.gz DRAGBMQJQOBZDO-DQLDELGASA-N 1 2 391.471 4.016 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000569905339 822984137 /nfs/dbraw/zinc/98/41/37/822984137.db2.gz YQCDHAVWKXUZJV-AEFFLSMTSA-N 1 2 386.927 4.351 20 0 GIADLO Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c(C)c1 ZINC000569938757 822988105 /nfs/dbraw/zinc/98/81/05/822988105.db2.gz VOQCRZUXGBUWIG-UHFFFAOYSA-N 1 2 390.487 4.243 20 0 GIADLO CCOc1ccc([C@H]2CCCN2C(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000569972843 822991605 /nfs/dbraw/zinc/99/16/05/822991605.db2.gz NAZVQBKSYZBBCN-HSZRJFAPSA-N 1 2 389.499 4.236 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000186995564 822994174 /nfs/dbraw/zinc/99/41/74/822994174.db2.gz AAYKACKJQZSFRF-HSZRJFAPSA-N 1 2 376.456 4.036 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000186995564 822994177 /nfs/dbraw/zinc/99/41/77/822994177.db2.gz AAYKACKJQZSFRF-HSZRJFAPSA-N 1 2 376.456 4.036 20 0 GIADLO Cc1nc(-c2c[nH]c(C(=O)N3CC[NH+]([C@H](C)c4cccc(F)c4)CC3)c2)cs1 ZINC000175556271 822996708 /nfs/dbraw/zinc/99/67/08/822996708.db2.gz UZCQSGPTCQXXBW-CQSZACIVSA-N 1 2 398.507 4.105 20 0 GIADLO Cc1nc(-c2c[nH]c(C(=O)N3CC[NH+]([C@@H](C)c4cccc(F)c4)CC3)c2)cs1 ZINC000175556251 822996733 /nfs/dbraw/zinc/99/67/33/822996733.db2.gz UZCQSGPTCQXXBW-AWEZNQCLSA-N 1 2 398.507 4.105 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000570057024 823001368 /nfs/dbraw/zinc/00/13/68/823001368.db2.gz QTNMDFUQFTUSEA-CVEARBPZSA-N 1 2 381.451 4.184 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000570057024 823001373 /nfs/dbraw/zinc/00/13/73/823001373.db2.gz QTNMDFUQFTUSEA-CVEARBPZSA-N 1 2 381.451 4.184 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000570057026 823001405 /nfs/dbraw/zinc/00/14/05/823001405.db2.gz QTNMDFUQFTUSEA-HZPDHXFCSA-N 1 2 381.451 4.184 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000570057026 823001412 /nfs/dbraw/zinc/00/14/12/823001412.db2.gz QTNMDFUQFTUSEA-HZPDHXFCSA-N 1 2 381.451 4.184 20 0 GIADLO CC[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)Cc1ccc(OC)cc1 ZINC000175585264 823002278 /nfs/dbraw/zinc/00/22/78/823002278.db2.gz QIJWJSNDBKSZPA-UHFFFAOYSA-N 1 2 395.528 4.104 20 0 GIADLO CC[N@@H+](Cc1csc(CNC(=O)c2ccccc2)n1)Cc1ccc(OC)cc1 ZINC000175585264 823002280 /nfs/dbraw/zinc/00/22/80/823002280.db2.gz QIJWJSNDBKSZPA-UHFFFAOYSA-N 1 2 395.528 4.104 20 0 GIADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1F ZINC000570135804 823009165 /nfs/dbraw/zinc/00/91/65/823009165.db2.gz ZPEJQVNOHLGHDA-LBPRGKRZSA-N 1 2 388.240 4.265 20 0 GIADLO CCCc1cccc(C[NH2+][C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1 ZINC000187113978 823012537 /nfs/dbraw/zinc/01/25/37/823012537.db2.gz CYOUVELZAMSOPV-JOCHJYFZSA-N 1 2 379.504 4.269 20 0 GIADLO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000175665508 823015881 /nfs/dbraw/zinc/01/58/81/823015881.db2.gz ASTPSFCRNVDBDD-UHFFFAOYSA-N 1 2 396.878 4.050 20 0 GIADLO Cc1ccc(C[S@](=O)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c(C)[nH+]1 ZINC000187138907 823016562 /nfs/dbraw/zinc/01/65/62/823016562.db2.gz ORAJAZXYTVIPAK-MHZLTWQESA-N 1 2 395.406 4.216 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1nc2ccccc2cc1Br ZINC000570240219 823017934 /nfs/dbraw/zinc/01/79/34/823017934.db2.gz MPNQMORUHGJSJW-UHFFFAOYSA-N 1 2 393.244 4.435 20 0 GIADLO C[C@@H](CNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)Cn1cc[nH+]c1 ZINC000187191688 823023087 /nfs/dbraw/zinc/02/30/87/823023087.db2.gz PSIAGPULVITBCK-ZDUSSCGKSA-N 1 2 393.365 4.108 20 0 GIADLO CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000187247390 823030249 /nfs/dbraw/zinc/03/02/49/823030249.db2.gz ZAMUJUAPGJROQI-HNNXBMFYSA-N 1 2 390.915 4.347 20 0 GIADLO Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)c(C)[nH+]1 ZINC000187284049 823036871 /nfs/dbraw/zinc/03/68/71/823036871.db2.gz RSDBVRIFHQXJAV-UHFFFAOYSA-N 1 2 388.496 4.144 20 0 GIADLO C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000570440441 823038885 /nfs/dbraw/zinc/03/88/85/823038885.db2.gz CYMHMIWJVSBHAV-QGZVFWFLSA-N 1 2 386.455 4.006 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000187301978 823039937 /nfs/dbraw/zinc/03/99/37/823039937.db2.gz XJUOLXPIZOHLQS-KRWDZBQOSA-N 1 2 385.471 4.189 20 0 GIADLO CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000570457822 823040574 /nfs/dbraw/zinc/04/05/74/823040574.db2.gz GCEHQKOWCCYATJ-OAQYLSRUSA-N 1 2 386.561 4.374 20 0 GIADLO CCCOCc1ccccc1CNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000570457822 823040576 /nfs/dbraw/zinc/04/05/76/823040576.db2.gz GCEHQKOWCCYATJ-OAQYLSRUSA-N 1 2 386.561 4.374 20 0 GIADLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000123803545 823542107 /nfs/dbraw/zinc/54/21/07/823542107.db2.gz MOQYKJVQFUDKFE-LJQANCHMSA-N 1 2 376.508 4.040 20 0 GIADLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000123803545 823542111 /nfs/dbraw/zinc/54/21/11/823542111.db2.gz MOQYKJVQFUDKFE-LJQANCHMSA-N 1 2 376.508 4.040 20 0 GIADLO COCc1c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)sc2cccc(F)c21 ZINC000123816458 823542953 /nfs/dbraw/zinc/54/29/53/823542953.db2.gz XJPFDLUMWSKNLH-XJKSGUPXSA-N 1 2 387.480 4.107 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123832872 823543935 /nfs/dbraw/zinc/54/39/35/823543935.db2.gz OBGMEKCTGDSHRL-PILAGYSTSA-N 1 2 377.410 4.115 20 0 GIADLO CCCCOc1ccc([C@H](C)NC(=O)NCc2ccn3cc[nH+]c3c2)cc1OC ZINC000177925271 823546898 /nfs/dbraw/zinc/54/68/98/823546898.db2.gz QKDLCXZRPOJYQC-INIZCTEOSA-N 1 2 396.491 4.082 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(C3SCCCS3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000123874214 823548330 /nfs/dbraw/zinc/54/83/30/823548330.db2.gz MNXSUPPOLYYJLP-QAPCUYQASA-N 1 2 387.574 4.475 20 0 GIADLO Cn1ccnc1Sc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000060631142 823549408 /nfs/dbraw/zinc/54/94/08/823549408.db2.gz XPMKDUCSFQYKPS-UHFFFAOYSA-N 1 2 389.484 4.068 20 0 GIADLO O=C(CCSc1ccc(Cl)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000060677097 823552075 /nfs/dbraw/zinc/55/20/75/823552075.db2.gz UXKKICWNVOGJMN-UHFFFAOYSA-N 1 2 380.966 4.228 20 0 GIADLO Cc1nc(CN2CC[NH+](Cc3cnc(-c4ccc(C)cc4)s3)CC2)cs1 ZINC000123967011 823556342 /nfs/dbraw/zinc/55/63/42/823556342.db2.gz UCBYVMSJGCPXIA-UHFFFAOYSA-N 1 2 384.574 4.201 20 0 GIADLO COC(=O)C1([NH2+]CCC(=O)Nc2ccccc2-c2ccccc2)CCCCC1 ZINC000411281668 823562126 /nfs/dbraw/zinc/56/21/26/823562126.db2.gz WJWUTJRPONPKRJ-UHFFFAOYSA-N 1 2 380.488 4.148 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000124038851 823562081 /nfs/dbraw/zinc/56/20/81/823562081.db2.gz VJAMNOVJMYLDNB-SPLOXXLWSA-N 1 2 378.451 4.171 20 0 GIADLO CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1 ZINC000411308843 823563788 /nfs/dbraw/zinc/56/37/88/823563788.db2.gz IUIUHVVSPQTXSK-QGZVFWFLSA-N 1 2 398.894 4.220 20 0 GIADLO COc1cc2c(c(C[NH2+][C@H](C)c3nc(-c4ccncc4)cs3)c1)O[C@H](C)C2 ZINC000124074962 823565325 /nfs/dbraw/zinc/56/53/25/823565325.db2.gz MXNFMYHMTOQECK-ZIAGYGMSSA-N 1 2 381.501 4.388 20 0 GIADLO C[C@H](c1ccccc1Cl)[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000060904955 823565757 /nfs/dbraw/zinc/56/57/57/823565757.db2.gz ARFSCOMBPVUZSR-OAHLLOKOSA-N 1 2 381.925 4.205 20 0 GIADLO C[C@H](c1ccccc1Cl)[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000060904955 823565761 /nfs/dbraw/zinc/56/57/61/823565761.db2.gz ARFSCOMBPVUZSR-OAHLLOKOSA-N 1 2 381.925 4.205 20 0 GIADLO Cc1nc(C(C)(C)[NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)no1 ZINC000411368654 823566944 /nfs/dbraw/zinc/56/69/44/823566944.db2.gz OSYQEBCRYRDIAP-UHFFFAOYSA-N 1 2 380.448 4.024 20 0 GIADLO COc1cc(C[NH+]2CCN(c3ccccc3Cl)CC2)ccc1OC(F)F ZINC000060934979 823567910 /nfs/dbraw/zinc/56/79/10/823567910.db2.gz JVISZPFMUNJGJB-UHFFFAOYSA-N 1 2 382.838 4.272 20 0 GIADLO COc1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)cs2)c(OC)c1 ZINC000060934811 823567926 /nfs/dbraw/zinc/56/79/26/823567926.db2.gz WJIGUUNRGHJHNL-UHFFFAOYSA-N 1 2 395.528 4.150 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(OC(C)C)c(Cl)c2)c(C)[nH+]1 ZINC000411387014 823568519 /nfs/dbraw/zinc/56/85/19/823568519.db2.gz RLZNVFKBILWDID-UHFFFAOYSA-N 1 2 375.856 4.025 20 0 GIADLO CC(C)(C)c1cc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)no1 ZINC000124153283 823572333 /nfs/dbraw/zinc/57/23/33/823572333.db2.gz MABSZOQVNCSHNJ-APWZRJJASA-N 1 2 379.464 4.219 20 0 GIADLO CC(C)CN(C(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[C@H](C)c1ccccc1Cl ZINC000411498423 823581708 /nfs/dbraw/zinc/58/17/08/823581708.db2.gz CQICOBPFULYAFN-OAHLLOKOSA-N 1 2 398.894 4.172 20 0 GIADLO Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000061190947 823583221 /nfs/dbraw/zinc/58/32/21/823583221.db2.gz NGXVZIRKZILYBM-UHFFFAOYSA-N 1 2 384.505 4.277 20 0 GIADLO C[C@H]([NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21)c1nc(C2CCCCC2)no1 ZINC000411525344 823584699 /nfs/dbraw/zinc/58/46/99/823584699.db2.gz AXMYHKAIDUZSTC-OXJNMPFZSA-N 1 2 396.535 4.352 20 0 GIADLO C[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)c1nc(C(C)(C)C)no1 ZINC000411534991 823585758 /nfs/dbraw/zinc/58/57/58/823585758.db2.gz PJNSKCJRQFZKMN-JTQLQIEISA-N 1 2 385.295 4.353 20 0 GIADLO Cc1cnn(-c2ccc([C@H](C)[NH2+][C@H](C)c3nc(-c4cccnc4)no3)cc2F)c1 ZINC000124307164 823585856 /nfs/dbraw/zinc/58/58/56/823585856.db2.gz RFGIJRASONYPMU-LSDHHAIUSA-N 1 2 392.438 4.177 20 0 GIADLO C[C@@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)c1nc(C(C)(C)C)no1 ZINC000411536326 823585951 /nfs/dbraw/zinc/58/59/51/823585951.db2.gz RDIORSBTIBKOKE-SNVBAGLBSA-N 1 2 385.295 4.353 20 0 GIADLO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000411537428 823585967 /nfs/dbraw/zinc/58/59/67/823585967.db2.gz STISDRFTWDQHCH-LLVKDONJSA-N 1 2 384.402 4.065 20 0 GIADLO Cc1ccccc1-c1nc(C[NH+]2CCC(OCCc3ccccc3)CC2)no1 ZINC000124396059 823593171 /nfs/dbraw/zinc/59/31/71/823593171.db2.gz NUXPJYNIIZNWHS-UHFFFAOYSA-N 1 2 377.488 4.269 20 0 GIADLO O=C(c1ccccc1Nc1cccc(C(F)(F)F)c1)N1CCn2c[nH+]cc2C1 ZINC000461193418 823596243 /nfs/dbraw/zinc/59/62/43/823596243.db2.gz JYIURMOSGFTEFJ-UHFFFAOYSA-N 1 2 386.377 4.302 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)c1C ZINC000461212404 823599578 /nfs/dbraw/zinc/59/95/78/823599578.db2.gz QJCOMIJLVPSJAI-UHFFFAOYSA-N 1 2 395.406 4.309 20 0 GIADLO O=C(NCc1ccsc1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000061914614 823618385 /nfs/dbraw/zinc/61/83/85/823618385.db2.gz HLPCFMKOKLWVQF-INIZCTEOSA-N 1 2 381.904 4.177 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411994673 823619242 /nfs/dbraw/zinc/61/92/42/823619242.db2.gz AVGDQPMLCFXQIG-QRWLVFNGSA-N 1 2 386.442 4.146 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411994673 823619245 /nfs/dbraw/zinc/61/92/45/823619245.db2.gz AVGDQPMLCFXQIG-QRWLVFNGSA-N 1 2 386.442 4.146 20 0 GIADLO O=C1[C@@H]([N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CCN1c1ccccc1Cl ZINC000411998440 823619854 /nfs/dbraw/zinc/61/98/54/823619854.db2.gz LFIHGCBWMLYQQN-LEWJYISDSA-N 1 2 396.918 4.299 20 0 GIADLO O=C1[C@@H]([N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CCN1c1ccccc1Cl ZINC000411998440 823619855 /nfs/dbraw/zinc/61/98/55/823619855.db2.gz LFIHGCBWMLYQQN-LEWJYISDSA-N 1 2 396.918 4.299 20 0 GIADLO O=C1[C@@H]([N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCN1c1ccccc1Cl ZINC000411998443 823619903 /nfs/dbraw/zinc/61/99/03/823619903.db2.gz LFIHGCBWMLYQQN-SFTDATJTSA-N 1 2 396.918 4.299 20 0 GIADLO O=C1[C@@H]([N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCN1c1ccccc1Cl ZINC000411998443 823619905 /nfs/dbraw/zinc/61/99/05/823619905.db2.gz LFIHGCBWMLYQQN-SFTDATJTSA-N 1 2 396.918 4.299 20 0 GIADLO c1cn(CCc2ccccc2)nc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412008359 823622062 /nfs/dbraw/zinc/62/20/62/823622062.db2.gz FIGIUVQEUIISOQ-DEOSSOPVSA-N 1 2 387.527 4.480 20 0 GIADLO c1cn(CCc2ccccc2)nc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412008359 823622063 /nfs/dbraw/zinc/62/20/63/823622063.db2.gz FIGIUVQEUIISOQ-DEOSSOPVSA-N 1 2 387.527 4.480 20 0 GIADLO C[C@H](c1cccc(NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)c1)[NH+]1CCOCC1 ZINC000412021823 823623293 /nfs/dbraw/zinc/62/32/93/823623293.db2.gz POOBPNKGNWHHHZ-DYESRHJHSA-N 1 2 394.515 4.363 20 0 GIADLO CC[N@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000412029891 823623484 /nfs/dbraw/zinc/62/34/84/823623484.db2.gz VQHIEKHXVJOZJA-SFHVURJKSA-N 1 2 380.492 4.240 20 0 GIADLO CC[N@@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000412029891 823623486 /nfs/dbraw/zinc/62/34/86/823623486.db2.gz VQHIEKHXVJOZJA-SFHVURJKSA-N 1 2 380.492 4.240 20 0 GIADLO CC[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1occc1C ZINC000412023378 823623520 /nfs/dbraw/zinc/62/35/20/823623520.db2.gz CLMAOPJOTBLSJZ-UHFFFAOYSA-N 1 2 377.488 4.207 20 0 GIADLO CC[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1occc1C ZINC000412023378 823623522 /nfs/dbraw/zinc/62/35/22/823623522.db2.gz CLMAOPJOTBLSJZ-UHFFFAOYSA-N 1 2 377.488 4.207 20 0 GIADLO CC[C@H](C)n1ncc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1C1CC1 ZINC000124775133 823625174 /nfs/dbraw/zinc/62/51/74/823625174.db2.gz XORBCICJNKZDJF-KRWDZBQOSA-N 1 2 395.551 4.437 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Nc2ccc(O)c(Cl)c2)C[C@H](C)O1 ZINC000190943790 823628170 /nfs/dbraw/zinc/62/81/70/823628170.db2.gz RQDADMDPBHMKMI-KBPBESRZSA-N 1 2 389.883 4.299 20 0 GIADLO COc1cccc(Nc2ccccc2C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000124906694 823635703 /nfs/dbraw/zinc/63/57/03/823635703.db2.gz YWDBHUKOMDVKOX-JTSKRJEESA-N 1 2 390.487 4.359 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000412235174 823638299 /nfs/dbraw/zinc/63/82/99/823638299.db2.gz RMFBNAQVBYILNP-GOEBONIOSA-N 1 2 376.850 4.412 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)CC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000412235174 823638301 /nfs/dbraw/zinc/63/83/01/823638301.db2.gz RMFBNAQVBYILNP-GOEBONIOSA-N 1 2 376.850 4.412 20 0 GIADLO C[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1ccc(Oc2ccccc2)c(F)c1 ZINC000191028653 823639770 /nfs/dbraw/zinc/63/97/70/823639770.db2.gz RWNZVCVLLMTPKN-LBPRGKRZSA-N 1 2 395.360 4.018 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000124957254 823640458 /nfs/dbraw/zinc/64/04/58/823640458.db2.gz ZBFFEPSAMQZXQC-UHFFFAOYSA-N 1 2 390.793 4.032 20 0 GIADLO COc1cccc(C[NH2+]Cc2nccn2-c2ccccc2)c1OC1CCCC1 ZINC000191033197 823640583 /nfs/dbraw/zinc/64/05/83/823640583.db2.gz NGAORFJVNGLCMK-UHFFFAOYSA-N 1 2 377.488 4.492 20 0 GIADLO O=C(CCc1ccc(Br)cc1F)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000062880605 823646187 /nfs/dbraw/zinc/64/61/87/823646187.db2.gz BRFQOLHPAVWUPX-UHFFFAOYSA-N 1 2 388.240 4.345 20 0 GIADLO COCCn1cnn(C[N@H+]([C@H](C)c2ccc3ccccc3c2)C2CC2)c1=S ZINC000063125255 823652029 /nfs/dbraw/zinc/65/20/29/823652029.db2.gz RFVQCTSJQWNGOO-MRXNPFEDSA-N 1 2 382.533 4.397 20 0 GIADLO COCCn1cnn(C[N@@H+]([C@H](C)c2ccc3ccccc3c2)C2CC2)c1=S ZINC000063125255 823652031 /nfs/dbraw/zinc/65/20/31/823652031.db2.gz RFVQCTSJQWNGOO-MRXNPFEDSA-N 1 2 382.533 4.397 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(-n4cccn4)cc3C)cn2c1 ZINC000191128030 823652110 /nfs/dbraw/zinc/65/21/10/823652110.db2.gz VFZDBZXILJRDPJ-UHFFFAOYSA-N 1 2 391.500 4.009 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC(c3cccc(C(F)(F)F)c3)C1)C2 ZINC000412404710 823653679 /nfs/dbraw/zinc/65/36/79/823653679.db2.gz UAUBDPHAGMZOAE-AWEZNQCLSA-N 1 2 391.437 4.283 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC(c3cccc(C(F)(F)F)c3)C1)CC2 ZINC000412404710 823653682 /nfs/dbraw/zinc/65/36/82/823653682.db2.gz UAUBDPHAGMZOAE-AWEZNQCLSA-N 1 2 391.437 4.283 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2O)C[C@H]1n1cc[nH+]c1 ZINC000125185215 823657609 /nfs/dbraw/zinc/65/76/09/823657609.db2.gz ZTYRSUMNBYCVFL-XMSQKQJNSA-N 1 2 389.499 4.097 20 0 GIADLO C[C@@H](c1nnc(SC[C@H](O)CC2CCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191240279 823662336 /nfs/dbraw/zinc/66/23/36/823662336.db2.gz LOSMABIRZDCGSI-KBXCAEBGSA-N 1 2 392.544 4.062 20 0 GIADLO O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000412587645 823664748 /nfs/dbraw/zinc/66/47/48/823664748.db2.gz DUTVLMYSJVSBNO-WIYYLYMNSA-N 1 2 398.934 4.238 20 0 GIADLO CCN(Cc1cccs1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000125282686 823664792 /nfs/dbraw/zinc/66/47/92/823664792.db2.gz IFJWUMRVHMBQOK-IAGOWNOFSA-N 1 2 387.549 4.411 20 0 GIADLO C[C@H]1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000125318087 823667428 /nfs/dbraw/zinc/66/74/28/823667428.db2.gz HEJOPMJQQULWNF-HOCLYGCPSA-N 1 2 396.318 4.459 20 0 GIADLO CC(C)(C)[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(c3ccncc3)CC2)C1 ZINC000191297684 823668642 /nfs/dbraw/zinc/66/86/42/823668642.db2.gz GNXYGKLTWXQOOU-SFHVURJKSA-N 1 2 385.577 4.293 20 0 GIADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000125350347 823670019 /nfs/dbraw/zinc/67/00/19/823670019.db2.gz POZKBSIAPHPFLX-DYESRHJHSA-N 1 2 392.478 4.158 20 0 GIADLO NC(=[NH+]OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 ZINC000063455341 823672374 /nfs/dbraw/zinc/67/23/74/823672374.db2.gz FAIRZHLUIRIJAA-UHFFFAOYSA-N 1 2 381.194 4.020 20 0 GIADLO Cc1cc(C(N)=[NH+]OCc2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1F ZINC000063457601 823672531 /nfs/dbraw/zinc/67/25/31/823672531.db2.gz XMQJZXHBOWBTDJ-UHFFFAOYSA-N 1 2 395.221 4.328 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000125508249 823681573 /nfs/dbraw/zinc/68/15/73/823681573.db2.gz QWHIHIDGQMHJGZ-BDQAWRDZSA-N 1 2 378.303 4.403 20 0 GIADLO Cc1cccc(Oc2ccc(NC(=O)N(C)CCCn3cc[nH+]c3)cn2)c1C ZINC000125513039 823681913 /nfs/dbraw/zinc/68/19/13/823681913.db2.gz XGGIAEOBKSXSRM-UHFFFAOYSA-N 1 2 379.464 4.241 20 0 GIADLO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C(C)(C)c1nccs1 ZINC000125623078 823690756 /nfs/dbraw/zinc/69/07/56/823690756.db2.gz QWMMPLFHFGYTJN-UHFFFAOYSA-N 1 2 391.338 4.425 20 0 GIADLO COc1ccc(-c2nnc(SCc3ccc(-n4cc[nH+]c4)cc3)o2)cc1OC ZINC000191492145 823690801 /nfs/dbraw/zinc/69/08/01/823690801.db2.gz KJTDDOLPOMKZNR-UHFFFAOYSA-N 1 2 394.456 4.232 20 0 GIADLO c1cc2c(ncnc2N2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)s1 ZINC000125647693 823693145 /nfs/dbraw/zinc/69/31/45/823693145.db2.gz ZCYXOXBVYRTLGE-UHFFFAOYSA-N 1 2 393.541 4.137 20 0 GIADLO C[C@H](c1nnc(SC[C@H]2CCC(C)(C)O2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000412980443 823696556 /nfs/dbraw/zinc/69/65/56/823696556.db2.gz DYFUOUNOJJBCPN-CZUORRHYSA-N 1 2 378.517 4.079 20 0 GIADLO CC(C)c1ccc(NC(=S)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC000063794226 823697095 /nfs/dbraw/zinc/69/70/95/823697095.db2.gz AHDDXGPBXWLMQX-UHFFFAOYSA-N 1 2 382.577 4.366 20 0 GIADLO C[C@H](c1nnc(SC[C@@H]2CCCC[C@@H]2O)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000412988733 823698226 /nfs/dbraw/zinc/69/82/26/823698226.db2.gz YJNBPUCSZLLDBC-KEYYUXOJSA-N 1 2 394.972 4.187 20 0 GIADLO CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)c1 ZINC000125712821 823699272 /nfs/dbraw/zinc/69/92/72/823699272.db2.gz CAYRCGFCHVODCY-GOSISDBHSA-N 1 2 388.943 4.198 20 0 GIADLO CNC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)c1 ZINC000125712821 823699275 /nfs/dbraw/zinc/69/92/75/823699275.db2.gz CAYRCGFCHVODCY-GOSISDBHSA-N 1 2 388.943 4.198 20 0 GIADLO FC(F)c1nc2ccc(Cl)cc2c(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000413046664 823701552 /nfs/dbraw/zinc/70/15/52/823701552.db2.gz SSVOOJYCWIGTJF-UHFFFAOYSA-N 1 2 389.837 4.250 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@H+]3CCC[C@H]3C(C)C)c2=S)c1 ZINC000063858655 823703007 /nfs/dbraw/zinc/70/30/07/823703007.db2.gz BCVCUHROSOSJFO-IBGZPJMESA-N 1 2 399.564 4.317 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@@H+]3CCC[C@H]3C(C)C)c2=S)c1 ZINC000063858655 823703010 /nfs/dbraw/zinc/70/30/10/823703010.db2.gz BCVCUHROSOSJFO-IBGZPJMESA-N 1 2 399.564 4.317 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(OC4CCCCC4)cc3)[nH+]cn2)C1 ZINC000413097220 823706370 /nfs/dbraw/zinc/70/63/70/823706370.db2.gz BFUAQDGAQIWNFH-PKOBYXMFSA-N 1 2 396.535 4.007 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(OC4CCCCC4)cc3)nc[nH+]2)C1 ZINC000413097220 823706372 /nfs/dbraw/zinc/70/63/72/823706372.db2.gz BFUAQDGAQIWNFH-PKOBYXMFSA-N 1 2 396.535 4.007 20 0 GIADLO O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000574355542 823707683 /nfs/dbraw/zinc/70/76/83/823707683.db2.gz KMIDGIKIGYBAIF-JCNLHEQBSA-N 1 2 392.425 4.264 20 0 GIADLO O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000574355542 823707685 /nfs/dbraw/zinc/70/76/85/823707685.db2.gz KMIDGIKIGYBAIF-JCNLHEQBSA-N 1 2 392.425 4.264 20 0 GIADLO CC[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)ccc1F ZINC000125775974 823707889 /nfs/dbraw/zinc/70/78/89/823707889.db2.gz GEYXKEXPMRWGLF-FQEVSTJZSA-N 1 2 384.430 4.160 20 0 GIADLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000574362821 823708749 /nfs/dbraw/zinc/70/87/49/823708749.db2.gz RASWCFKMJAJHTO-CQSZACIVSA-N 1 2 389.952 4.223 20 0 GIADLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000574362821 823708753 /nfs/dbraw/zinc/70/87/53/823708753.db2.gz RASWCFKMJAJHTO-CQSZACIVSA-N 1 2 389.952 4.223 20 0 GIADLO CN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000413125962 823711243 /nfs/dbraw/zinc/71/12/43/823711243.db2.gz RPHQDKSAXIFCCA-FGZHOGPDSA-N 1 2 392.547 4.418 20 0 GIADLO C[C@@H](CCc1ccccc1)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000574387349 823716780 /nfs/dbraw/zinc/71/67/80/823716780.db2.gz FBLINMNMZGUYEO-SFHVURJKSA-N 1 2 380.536 4.130 20 0 GIADLO Cc1ccc2oc(C[N@H+](CCCCS(C)(=O)=O)Cc3ccco3)cc2c1 ZINC000163581747 823725085 /nfs/dbraw/zinc/72/50/85/823725085.db2.gz XWCSKOJEKOGMAF-UHFFFAOYSA-N 1 2 375.490 4.161 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N2CC[C@H](OCc3ccccn3)C2)c1 ZINC000413195902 823724928 /nfs/dbraw/zinc/72/49/28/823724928.db2.gz NPMYSDNOANPCOV-KRWDZBQOSA-N 1 2 384.277 4.188 20 0 GIADLO Cc1ccc2oc(C[N@@H+](CCCCS(C)(=O)=O)Cc3ccco3)cc2c1 ZINC000163581747 823725096 /nfs/dbraw/zinc/72/50/96/823725096.db2.gz XWCSKOJEKOGMAF-UHFFFAOYSA-N 1 2 375.490 4.161 20 0 GIADLO Cc1cn2c([nH+]1)[C@@H](CNc1nc(C(F)F)nc3ccc(Cl)cc31)CCC2 ZINC000413203872 823727178 /nfs/dbraw/zinc/72/71/78/823727178.db2.gz MYTIRQITVOCADB-LLVKDONJSA-N 1 2 377.826 4.137 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(Br)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000125863198 823731744 /nfs/dbraw/zinc/73/17/44/823731744.db2.gz PDISVSKLRSQFOP-XHDPSFHLSA-N 1 2 382.689 4.022 20 0 GIADLO CC(C)c1ccc([C@H]2CCCCN2C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000574475701 823740552 /nfs/dbraw/zinc/74/05/52/823740552.db2.gz MEOOOBLELVIOIW-HXUWFJFHSA-N 1 2 390.487 4.150 20 0 GIADLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125911906 823742218 /nfs/dbraw/zinc/74/22/18/823742218.db2.gz BDCNIRRIOMJPSY-IXFSTUDKSA-N 1 2 390.531 4.042 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2Br)C[C@H]1n1cc[nH+]c1 ZINC000191727637 823749180 /nfs/dbraw/zinc/74/91/80/823749180.db2.gz JRLZSKLKGKKQTG-BXUZGUMPSA-N 1 2 397.704 4.414 20 0 GIADLO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000064142694 823754035 /nfs/dbraw/zinc/75/40/35/823754035.db2.gz OYGQMZTUZODLIY-CYBMUJFWSA-N 1 2 384.423 4.166 20 0 GIADLO CCOC(=O)c1cnc2c(Cl)c(NCCc3cn(C)c[nH+]3)ccc2c1Cl ZINC000413381742 823764718 /nfs/dbraw/zinc/76/47/18/823764718.db2.gz KYCUCMOHJSGQME-UHFFFAOYSA-N 1 2 393.274 4.106 20 0 GIADLO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126018327 823767369 /nfs/dbraw/zinc/76/73/69/823767369.db2.gz MSDIBAMIVAJKOL-AUSIDOKSSA-N 1 2 390.531 4.043 20 0 GIADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000574583290 823771947 /nfs/dbraw/zinc/77/19/47/823771947.db2.gz TUYVGXOIQPUGJH-GTNSWQLSSA-N 1 2 394.288 4.148 20 0 GIADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000574583290 823771955 /nfs/dbraw/zinc/77/19/55/823771955.db2.gz TUYVGXOIQPUGJH-GTNSWQLSSA-N 1 2 394.288 4.148 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cnn1-c1ccc(F)cc1 ZINC000164042602 823773151 /nfs/dbraw/zinc/77/31/51/823773151.db2.gz MSNAOIQPHUQPFD-HOTGVXAUSA-N 1 2 390.466 4.312 20 0 GIADLO Cc1ccc(CN2CC[C@H]([NH2+]Cc3csc(-c4ccc(F)cc4)n3)C2=O)cc1 ZINC000191810176 823777439 /nfs/dbraw/zinc/77/74/39/823777439.db2.gz OHDYPOWCQGMGBG-FQEVSTJZSA-N 1 2 395.503 4.148 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000126088874 823784385 /nfs/dbraw/zinc/78/43/85/823784385.db2.gz GHUREPLVKIJYBB-UHFFFAOYSA-N 1 2 378.394 4.098 20 0 GIADLO CCCOc1c(Cl)cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000126096534 823785837 /nfs/dbraw/zinc/78/58/37/823785837.db2.gz DTMLILZBLHXDEH-WMLDXEAASA-N 1 2 391.899 4.057 20 0 GIADLO CC[C@@H](C)n1ncc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c1C1CC1 ZINC000126109327 823790347 /nfs/dbraw/zinc/79/03/47/823790347.db2.gz PANVCKPBISZIKQ-QGZVFWFLSA-N 1 2 396.535 4.124 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccncc1OCCC(C)(C)C)C2 ZINC000574668199 823795284 /nfs/dbraw/zinc/79/52/84/823795284.db2.gz WUAFQONAQWIUOS-INIZCTEOSA-N 1 2 398.551 4.164 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccncc1OCCC(C)(C)C)CC2 ZINC000574668199 823795289 /nfs/dbraw/zinc/79/52/89/823795289.db2.gz WUAFQONAQWIUOS-INIZCTEOSA-N 1 2 398.551 4.164 20 0 GIADLO Cc1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)cc1Br ZINC000574671307 823796343 /nfs/dbraw/zinc/79/63/43/823796343.db2.gz YJAPACMIAPNFKT-SNVBAGLBSA-N 1 2 385.103 4.161 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000462026383 823800326 /nfs/dbraw/zinc/80/03/26/823800326.db2.gz UBHXITGEQIJGGH-LBPRGKRZSA-N 1 2 399.438 4.116 20 0 GIADLO O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000064379535 823804993 /nfs/dbraw/zinc/80/49/93/823804993.db2.gz GZNOLGLGAFDDAJ-UHFFFAOYSA-N 1 2 397.522 4.324 20 0 GIADLO CCCC[C@@H]1NC(=O)N(C[N@H+]([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)C1=O ZINC000064383396 823806224 /nfs/dbraw/zinc/80/62/24/823806224.db2.gz WAFHWXDNZQGSDU-GUYCJALGSA-N 1 2 397.441 4.299 20 0 GIADLO CCCC[C@@H]1NC(=O)N(C[N@@H+]([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)C1=O ZINC000064383396 823806231 /nfs/dbraw/zinc/80/62/31/823806231.db2.gz WAFHWXDNZQGSDU-GUYCJALGSA-N 1 2 397.441 4.299 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000126189417 823808763 /nfs/dbraw/zinc/80/87/63/823808763.db2.gz BLCCNLFVQJXGSI-IRXDYDNUSA-N 1 2 384.442 4.134 20 0 GIADLO OC[C@]1(F)C[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1c1ccccc1 ZINC000574721437 823809053 /nfs/dbraw/zinc/80/90/53/823809053.db2.gz WKLWVHTWUGUBMR-GHTZIAJQSA-N 1 2 386.854 4.295 20 0 GIADLO OC[C@]1(F)C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1c1ccccc1 ZINC000574721437 823809057 /nfs/dbraw/zinc/80/90/57/823809057.db2.gz WKLWVHTWUGUBMR-GHTZIAJQSA-N 1 2 386.854 4.295 20 0 GIADLO COc1ccc(C2(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)CCCCC2)cc1 ZINC000126208675 823812028 /nfs/dbraw/zinc/81/20/28/823812028.db2.gz MIFZVEUZOSFUKL-NQIIRXRSSA-N 1 2 381.520 4.203 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C/c1ccnc2ccccc12 ZINC000126209989 823812608 /nfs/dbraw/zinc/81/26/08/823812608.db2.gz IFORTEFQYTVOSB-CMDGGOBGSA-N 1 2 387.483 4.027 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 ZINC000191928678 823813753 /nfs/dbraw/zinc/81/37/53/823813753.db2.gz YZXDZBPILIWQIY-UHFFFAOYSA-N 1 2 394.523 4.192 20 0 GIADLO CC(C)c1ccc([C@@H]2CCCN2c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)cc1 ZINC000574738217 823814729 /nfs/dbraw/zinc/81/47/29/823814729.db2.gz UPGNCGYIIVOYOA-QMMLZNLJSA-N 1 2 380.536 4.149 20 0 GIADLO CC(C)c1ccc([C@@H]2CCCN2c2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)cc1 ZINC000574738217 823814736 /nfs/dbraw/zinc/81/47/36/823814736.db2.gz UPGNCGYIIVOYOA-QMMLZNLJSA-N 1 2 380.536 4.149 20 0 GIADLO Cc1ccccc1-n1ncc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1C(C)C ZINC000191931175 823814938 /nfs/dbraw/zinc/81/49/38/823814938.db2.gz SUNJZLKPFCSJCX-UHFFFAOYSA-N 1 2 395.532 4.001 20 0 GIADLO Cc1ccccc1-n1ncc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1C(C)C ZINC000191931175 823814948 /nfs/dbraw/zinc/81/49/48/823814948.db2.gz SUNJZLKPFCSJCX-UHFFFAOYSA-N 1 2 395.532 4.001 20 0 GIADLO CC[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CC(F)(F)F ZINC000413735573 823827975 /nfs/dbraw/zinc/82/79/75/823827975.db2.gz IQQKYOJLHFKNQY-CABCVRRESA-N 1 2 386.462 4.087 20 0 GIADLO Cc1cc(N2CCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000064486922 823829047 /nfs/dbraw/zinc/82/90/47/823829047.db2.gz WNQGUTXPUNBUGB-OALUTQOASA-N 1 2 398.938 4.014 20 0 GIADLO CC(C)CO[C@H](C)c1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192036592 823839634 /nfs/dbraw/zinc/83/96/34/823839634.db2.gz KXCWIQWXWJOTBW-MZMPZRCHSA-N 1 2 379.888 4.076 20 0 GIADLO CCOc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c2ncccc12 ZINC000574850531 823842710 /nfs/dbraw/zinc/84/27/10/823842710.db2.gz NHDPJOQTRUUKCR-UHFFFAOYSA-N 1 2 386.455 4.060 20 0 GIADLO Cc1onc(C2CC2)c1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000574898211 823855540 /nfs/dbraw/zinc/85/55/40/823855540.db2.gz NGBIZAHLFJPUAG-YLJYHZDGSA-N 1 2 389.446 4.092 20 0 GIADLO Cc1onc(C2CC2)c1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000574898211 823855550 /nfs/dbraw/zinc/85/55/50/823855550.db2.gz NGBIZAHLFJPUAG-YLJYHZDGSA-N 1 2 389.446 4.092 20 0 GIADLO C[N@H+](CCC(F)(F)F)CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000064635693 823855892 /nfs/dbraw/zinc/85/58/92/823855892.db2.gz HQOQPRPELPEPND-GOSISDBHSA-N 1 2 384.829 4.430 20 0 GIADLO C[N@@H+](CCC(F)(F)F)CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000064635693 823855894 /nfs/dbraw/zinc/85/58/94/823855894.db2.gz HQOQPRPELPEPND-GOSISDBHSA-N 1 2 384.829 4.430 20 0 GIADLO C[C@@H]1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C[C@H]1n1cc[nH+]c1 ZINC000126397039 823856743 /nfs/dbraw/zinc/85/67/43/823856743.db2.gz NTDQPIKFZBIEHU-NXIUDZPFSA-N 1 2 380.879 4.208 20 0 GIADLO Cc1ccccc1OC[C@H](O)COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000574923263 823861368 /nfs/dbraw/zinc/86/13/68/823861368.db2.gz JYMNNHNOGMSDKX-HXUWFJFHSA-N 1 2 378.472 4.014 20 0 GIADLO Cc1ccccc1-c1nc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)no1 ZINC000192105579 823861706 /nfs/dbraw/zinc/86/17/06/823861706.db2.gz ZXVFTGUTIMXVRT-PKOBYXMFSA-N 1 2 387.842 4.457 20 0 GIADLO CC[N@H+](Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)CC(C)(C)O ZINC000165870674 823864816 /nfs/dbraw/zinc/86/48/16/823864816.db2.gz GGVQZJNOKWKTAS-UHFFFAOYSA-N 1 2 381.929 4.074 20 0 GIADLO CC[N@@H+](Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)CC(C)(C)O ZINC000165870674 823864823 /nfs/dbraw/zinc/86/48/23/823864823.db2.gz GGVQZJNOKWKTAS-UHFFFAOYSA-N 1 2 381.929 4.074 20 0 GIADLO FC(F)(F)c1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000574943634 823867034 /nfs/dbraw/zinc/86/70/34/823867034.db2.gz DHXDQQREFVXEGE-MJGOQNOKSA-N 1 2 381.394 4.345 20 0 GIADLO FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@@H]3CCCO3)o2)cc1 ZINC000574943634 823867038 /nfs/dbraw/zinc/86/70/38/823867038.db2.gz DHXDQQREFVXEGE-MJGOQNOKSA-N 1 2 381.394 4.345 20 0 GIADLO COc1cccc(C[NH2+][C@@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)c1OC ZINC000165964026 823867333 /nfs/dbraw/zinc/86/73/33/823867333.db2.gz ARRSTWFIADGJQA-ZDUSSCGKSA-N 1 2 386.883 4.097 20 0 GIADLO CC(C)[C@H]1C[C@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCO1 ZINC000574959465 823871756 /nfs/dbraw/zinc/87/17/56/823871756.db2.gz OZFGEBFKXBKSFG-DYESRHJHSA-N 1 2 394.519 4.175 20 0 GIADLO CCOC[C@@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3ccccc3CC)n2)C1 ZINC000166252366 823873273 /nfs/dbraw/zinc/87/32/73/823873273.db2.gz GIEKBGHCWARWHP-QGZVFWFLSA-N 1 2 387.549 4.249 20 0 GIADLO CCOC[C@@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3ccccc3CC)n2)C1 ZINC000166252366 823873282 /nfs/dbraw/zinc/87/32/82/823873282.db2.gz GIEKBGHCWARWHP-QGZVFWFLSA-N 1 2 387.549 4.249 20 0 GIADLO CCOC[C@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3ccccc3CC)n2)C1 ZINC000166252244 823873438 /nfs/dbraw/zinc/87/34/38/823873438.db2.gz GIEKBGHCWARWHP-KRWDZBQOSA-N 1 2 387.549 4.249 20 0 GIADLO CCOC[C@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3ccccc3CC)n2)C1 ZINC000166252244 823873441 /nfs/dbraw/zinc/87/34/41/823873441.db2.gz GIEKBGHCWARWHP-KRWDZBQOSA-N 1 2 387.549 4.249 20 0 GIADLO COC[C@H]1CCC[N@@H+]1Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000166278828 823873835 /nfs/dbraw/zinc/87/38/35/823873835.db2.gz DSISMOMPWSQIQC-QGZVFWFLSA-N 1 2 379.913 4.092 20 0 GIADLO COC[C@H]1CCC[N@H+]1Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000166278828 823873840 /nfs/dbraw/zinc/87/38/40/823873840.db2.gz DSISMOMPWSQIQC-QGZVFWFLSA-N 1 2 379.913 4.092 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)C[C@H]2CCOC2)cs1)c1c(C)cc(C)cc1C ZINC000166287025 823874698 /nfs/dbraw/zinc/87/46/98/823874698.db2.gz OFLLPHPQAIZBHZ-GOSISDBHSA-N 1 2 387.549 4.221 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)C[C@H]2CCOC2)cs1)c1c(C)cc(C)cc1C ZINC000166287025 823874704 /nfs/dbraw/zinc/87/47/04/823874704.db2.gz OFLLPHPQAIZBHZ-GOSISDBHSA-N 1 2 387.549 4.221 20 0 GIADLO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1nc(Cc2ccccc2)no1 ZINC000192137902 823875112 /nfs/dbraw/zinc/87/51/12/823875112.db2.gz CWMXCKGDJHKJON-YHJVDBJQSA-N 1 2 385.414 4.119 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CC[C@]3(CCOC3)C2)cs1 ZINC000166370692 823876456 /nfs/dbraw/zinc/87/64/56/823876456.db2.gz XLNQDEFXOWVUJM-NRFANRHFSA-N 1 2 385.533 4.003 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CC[C@]3(CCOC3)C2)cs1 ZINC000166370692 823876459 /nfs/dbraw/zinc/87/64/59/823876459.db2.gz XLNQDEFXOWVUJM-NRFANRHFSA-N 1 2 385.533 4.003 20 0 GIADLO CC1(C)C[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c2ccc(F)cc2O1 ZINC000574978343 823878536 /nfs/dbraw/zinc/87/85/36/823878536.db2.gz CQHSYHHSYPTYQZ-IBGZPJMESA-N 1 2 379.435 4.103 20 0 GIADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000574984403 823879745 /nfs/dbraw/zinc/87/97/45/823879745.db2.gz ZKRIFVANRIVHKJ-PMACEKPBSA-N 1 2 395.890 4.185 20 0 GIADLO c1csc(COc2cccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)c2)c1 ZINC000574992909 823881639 /nfs/dbraw/zinc/88/16/39/823881639.db2.gz RJVGXIJEOVEYOX-QFBILLFUSA-N 1 2 397.500 4.303 20 0 GIADLO c1csc(COc2cccc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)c2)c1 ZINC000574992909 823881645 /nfs/dbraw/zinc/88/16/45/823881645.db2.gz RJVGXIJEOVEYOX-QFBILLFUSA-N 1 2 397.500 4.303 20 0 GIADLO Cc1cc([C@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1F ZINC000462229859 823884142 /nfs/dbraw/zinc/88/41/42/823884142.db2.gz YDQREDSCPINGSG-HOTGVXAUSA-N 1 2 375.513 4.345 20 0 GIADLO Cc1cc([C@@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1F ZINC000462229860 823884259 /nfs/dbraw/zinc/88/42/59/823884259.db2.gz YDQREDSCPINGSG-HZPDHXFCSA-N 1 2 375.513 4.345 20 0 GIADLO CC(C)c1c(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cnn1-c1ccc(Cl)cc1 ZINC000192164564 823887962 /nfs/dbraw/zinc/88/79/62/823887962.db2.gz VHOQYDYXCKIUCM-AWEZNQCLSA-N 1 2 383.883 4.047 20 0 GIADLO Clc1cc(Cl)cc(OCCNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000462239780 823890950 /nfs/dbraw/zinc/89/09/50/823890950.db2.gz SWMOJDPAGRSWCK-UHFFFAOYSA-N 1 2 381.303 4.317 20 0 GIADLO Cc1noc(-c2ccccc2)c1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000126533074 823892493 /nfs/dbraw/zinc/89/24/93/823892493.db2.gz VXVQTFWOUHNGMZ-UHFFFAOYSA-N 1 2 391.475 4.357 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCc2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000575026283 823892492 /nfs/dbraw/zinc/89/24/92/823892492.db2.gz NTQWZEQQJIODAO-NFBKMPQASA-N 1 2 397.519 4.009 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCc2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000575026283 823892500 /nfs/dbraw/zinc/89/25/00/823892500.db2.gz NTQWZEQQJIODAO-NFBKMPQASA-N 1 2 397.519 4.009 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCCCC[C@H]1c1ccco1 ZINC000575026431 823892644 /nfs/dbraw/zinc/89/26/44/823892644.db2.gz VBWARDWNWIILQG-FQEVSTJZSA-N 1 2 378.476 4.351 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(COC(C)C)c3)cn2c1 ZINC000126550572 823896117 /nfs/dbraw/zinc/89/61/17/823896117.db2.gz HQAAQTRSLTWPSS-UHFFFAOYSA-N 1 2 383.517 4.440 20 0 GIADLO COC[C@H]([NH2+][C@H]1CCCn2nc(C(C)C)nc21)c1cccc(C(F)(F)F)c1 ZINC000167992468 823898647 /nfs/dbraw/zinc/89/86/47/823898647.db2.gz POHHVTHKVVLMEG-HOTGVXAUSA-N 1 2 382.430 4.233 20 0 GIADLO O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000168161220 823900932 /nfs/dbraw/zinc/90/09/32/823900932.db2.gz MMYXHEMGIDXJJG-ZWKOTPCHSA-N 1 2 385.471 4.205 20 0 GIADLO C[C@H]1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000126594232 823907027 /nfs/dbraw/zinc/90/70/27/823907027.db2.gz BUGGFTSPQVVNGU-NHYWBVRUSA-N 1 2 377.275 4.395 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)s1 ZINC000414116079 823913081 /nfs/dbraw/zinc/91/30/81/823913081.db2.gz QCPDDTSEODOPFC-NWDGAFQWSA-N 1 2 378.469 4.269 20 0 GIADLO CCOc1ccc(F)c(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1F ZINC000462298106 823915796 /nfs/dbraw/zinc/91/57/96/823915796.db2.gz ZDDLZLDIYGSUDB-ZDUSSCGKSA-N 1 2 395.475 4.336 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(F)c(Cl)c2)CC1 ZINC000462300635 823916536 /nfs/dbraw/zinc/91/65/36/823916536.db2.gz WAOOMQZFKCNCBG-ZDUSSCGKSA-N 1 2 381.904 4.129 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Cl)c(Cl)cc1OC ZINC000192254647 823918054 /nfs/dbraw/zinc/91/80/54/823918054.db2.gz VTJZJQCMWHBNGL-UHFFFAOYSA-N 1 2 384.307 4.313 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c[nH]nc1-c1ccccc1Cl ZINC000192254662 823918336 /nfs/dbraw/zinc/91/83/36/823918336.db2.gz CVAZNZCRWYIRRM-UHFFFAOYSA-N 1 2 385.899 4.041 20 0 GIADLO CCc1nc2cc(C[NH2+][C@H](C)c3ncc(C(=O)OC)s3)ccc2n1C1CC1 ZINC000414158844 823920082 /nfs/dbraw/zinc/92/00/82/823920082.db2.gz XWURLKWFEMMIQR-GFCCVEGCSA-N 1 2 384.505 4.028 20 0 GIADLO COC(=O)c1cnc([C@H](C)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)s1 ZINC000414158227 823920184 /nfs/dbraw/zinc/92/01/84/823920184.db2.gz XOWILVGUVCKTCI-ZDUSSCGKSA-N 1 2 382.489 4.303 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1cc2ccccc2o1 ZINC000575139420 823921197 /nfs/dbraw/zinc/92/11/97/823921197.db2.gz SGISODMBYWMSFC-AEFFLSMTSA-N 1 2 377.488 4.475 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1cc2ccccc2o1 ZINC000575139422 823921375 /nfs/dbraw/zinc/92/13/75/823921375.db2.gz SGISODMBYWMSFC-SJLPKXTDSA-N 1 2 377.488 4.475 20 0 GIADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1csc(Br)c1 ZINC000064994178 823922081 /nfs/dbraw/zinc/92/20/81/823922081.db2.gz XMBZPBYPPCZYQT-CYBMUJFWSA-N 1 2 381.339 4.162 20 0 GIADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1csc(Br)c1 ZINC000064994178 823922085 /nfs/dbraw/zinc/92/20/85/823922085.db2.gz XMBZPBYPPCZYQT-CYBMUJFWSA-N 1 2 381.339 4.162 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000192314474 823943507 /nfs/dbraw/zinc/94/35/07/823943507.db2.gz XHBBURFPAKAJGK-QGZVFWFLSA-N 1 2 390.528 4.243 20 0 GIADLO Cc1ccccc1-n1cc(C[N@H+](CCc2ccccc2)Cc2ccncc2)nn1 ZINC000575219196 823943651 /nfs/dbraw/zinc/94/36/51/823943651.db2.gz YGBZPQYDZVHPGK-UHFFFAOYSA-N 1 2 383.499 4.216 20 0 GIADLO Cc1ccccc1-n1cc(C[N@@H+](CCc2ccccc2)Cc2ccncc2)nn1 ZINC000575219196 823943660 /nfs/dbraw/zinc/94/36/60/823943660.db2.gz YGBZPQYDZVHPGK-UHFFFAOYSA-N 1 2 383.499 4.216 20 0 GIADLO CC[C@@H](c1nc(COc2cccc(C(=O)OC)c2)no1)[N@H+](C)Cc1ccccc1 ZINC000575225212 823945976 /nfs/dbraw/zinc/94/59/76/823945976.db2.gz DMCKEIJJZXGUKN-IBGZPJMESA-N 1 2 395.459 4.018 20 0 GIADLO CC[C@@H](c1nc(COc2cccc(C(=O)OC)c2)no1)[N@@H+](C)Cc1ccccc1 ZINC000575225212 823945987 /nfs/dbraw/zinc/94/59/87/823945987.db2.gz DMCKEIJJZXGUKN-IBGZPJMESA-N 1 2 395.459 4.018 20 0 GIADLO Cc1ccc(C[N@@H+](C)Cc2nc([C@H](C)OCC(C)C)no2)c(-c2ccnn2C)c1 ZINC000575233928 823947906 /nfs/dbraw/zinc/94/79/06/823947906.db2.gz QJIKISPVAPNEEY-KRWDZBQOSA-N 1 2 397.523 4.144 20 0 GIADLO Cc1ccc(C[N@H+](C)Cc2nc([C@H](C)OCC(C)C)no2)c(-c2ccnn2C)c1 ZINC000575233928 823947912 /nfs/dbraw/zinc/94/79/12/823947912.db2.gz QJIKISPVAPNEEY-KRWDZBQOSA-N 1 2 397.523 4.144 20 0 GIADLO CCCC[C@H]([NH2+][C@@H](C)c1cc(C)on1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000575237294 823948596 /nfs/dbraw/zinc/94/85/96/823948596.db2.gz MMGKSUXMXVHHFG-PXNSSMCTSA-N 1 2 384.524 4.431 20 0 GIADLO CCCCc1ccc(C(=O)CCC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000065164128 823955452 /nfs/dbraw/zinc/95/54/52/823955452.db2.gz PGRGLUYWVXPDLQ-UHFFFAOYSA-N 1 2 382.504 4.329 20 0 GIADLO Cc1ccc(C[C@@H]2CCC[N@H+](Cn3nc(N4CCCC4)sc3=S)C2)cc1 ZINC000065189341 823958387 /nfs/dbraw/zinc/95/83/87/823958387.db2.gz SRHQVTZTFSFNHO-SFHVURJKSA-N 1 2 388.606 4.495 20 0 GIADLO Cc1ccc(C[C@@H]2CCC[N@@H+](Cn3nc(N4CCCC4)sc3=S)C2)cc1 ZINC000065189341 823958389 /nfs/dbraw/zinc/95/83/89/823958389.db2.gz SRHQVTZTFSFNHO-SFHVURJKSA-N 1 2 388.606 4.495 20 0 GIADLO O=C(CSC[C@H]1CCCCO1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000170757043 823963301 /nfs/dbraw/zinc/96/33/01/823963301.db2.gz DHWFJQBZSXWRHK-LJQANCHMSA-N 1 2 385.533 4.127 20 0 GIADLO Brc1cncc(Br)c1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000414366641 823966438 /nfs/dbraw/zinc/96/64/38/823966438.db2.gz OJDCSVKLYVTVQA-OAHLLOKOSA-N 1 2 397.114 4.243 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cnc(-c4ccccn4)s3)n2)C1 ZINC000170780572 823970133 /nfs/dbraw/zinc/97/01/33/823970133.db2.gz LWBWKDBDZWWURT-CYBMUJFWSA-N 1 2 399.545 4.146 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cnc(-c4ccccn4)s3)n2)C1 ZINC000170780572 823970140 /nfs/dbraw/zinc/97/01/40/823970140.db2.gz LWBWKDBDZWWURT-CYBMUJFWSA-N 1 2 399.545 4.146 20 0 GIADLO COCCc1noc(C[N@H+](Cc2ccc(-c3ccccc3OC)cc2)C(C)C)n1 ZINC000126973150 823992464 /nfs/dbraw/zinc/99/24/64/823992464.db2.gz KHLIEFPCUFUUMK-UHFFFAOYSA-N 1 2 395.503 4.345 20 0 GIADLO COCCc1noc(C[N@@H+](Cc2ccc(-c3ccccc3OC)cc2)C(C)C)n1 ZINC000126973150 823992471 /nfs/dbraw/zinc/99/24/71/823992471.db2.gz KHLIEFPCUFUUMK-UHFFFAOYSA-N 1 2 395.503 4.345 20 0 GIADLO CCOC(CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)OCC ZINC000127001830 823998360 /nfs/dbraw/zinc/99/83/60/823998360.db2.gz YKXAOBUQYLWQII-ZDUSSCGKSA-N 1 2 398.960 4.035 20 0 GIADLO Cc1c[nH+]c2cc(C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)ccn12 ZINC000575811773 824001878 /nfs/dbraw/zinc/00/18/78/824001878.db2.gz BHADDMQIFDQQHX-UHFFFAOYSA-N 1 2 381.863 4.031 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000192473715 824004482 /nfs/dbraw/zinc/00/44/82/824004482.db2.gz CLQKSSSFAIKYQB-KRWDZBQOSA-N 1 2 382.479 4.364 20 0 GIADLO COc1cc(C[N@H+](C)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)ccc1O ZINC000170915696 824004513 /nfs/dbraw/zinc/00/45/13/824004513.db2.gz JOGTVMQYMGJGQN-UHFFFAOYSA-N 1 2 393.365 4.102 20 0 GIADLO COc1cc(C[N@@H+](C)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)ccc1O ZINC000170915696 824004518 /nfs/dbraw/zinc/00/45/18/824004518.db2.gz JOGTVMQYMGJGQN-UHFFFAOYSA-N 1 2 393.365 4.102 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192475326 824005403 /nfs/dbraw/zinc/00/54/03/824005403.db2.gz KWDCJKVYSPGLSF-ZDUSSCGKSA-N 1 2 390.405 4.026 20 0 GIADLO OCC1(c2ccccc2)C[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000414549734 824008961 /nfs/dbraw/zinc/00/89/61/824008961.db2.gz MAPVYRUOJJUOKZ-UHFFFAOYSA-N 1 2 394.902 4.060 20 0 GIADLO FC(F)Oc1ccc(CCc2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000575904879 824025007 /nfs/dbraw/zinc/02/50/07/824025007.db2.gz SSXFSFYVYAGAGT-UHFFFAOYSA-N 1 2 396.397 4.368 20 0 GIADLO Cc1ccc(OCc2nc(C[NH2+]Cc3ccc4c(c3)OCCO4)cs2)cc1 ZINC000192562402 824032295 /nfs/dbraw/zinc/03/22/95/824032295.db2.gz DFINKOBSWRLWBJ-UHFFFAOYSA-N 1 2 382.485 4.092 20 0 GIADLO COCc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)o1 ZINC000192566845 824033668 /nfs/dbraw/zinc/03/36/68/824033668.db2.gz LSKRUQFBJYSXCA-IBGZPJMESA-N 1 2 396.512 4.017 20 0 GIADLO COCc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)o1 ZINC000192566845 824033673 /nfs/dbraw/zinc/03/36/73/824033673.db2.gz LSKRUQFBJYSXCA-IBGZPJMESA-N 1 2 396.512 4.017 20 0 GIADLO CC(C)=CCOc1cccc(CC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000414762596 824034140 /nfs/dbraw/zinc/03/41/40/824034140.db2.gz WDALFTPFGFCHRO-UHFFFAOYSA-N 1 2 389.499 4.135 20 0 GIADLO Cn1c(=S)n(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)nc1-c1ccncc1 ZINC000171045893 824046437 /nfs/dbraw/zinc/04/64/37/824046437.db2.gz KYOBXRCNCAVYQO-SFHVURJKSA-N 1 2 379.533 4.240 20 0 GIADLO Cn1c(=S)n(C[N@H+]2CCC[C@H](c3ccccc3)CC2)nc1-c1ccncc1 ZINC000171045893 824046443 /nfs/dbraw/zinc/04/64/43/824046443.db2.gz KYOBXRCNCAVYQO-SFHVURJKSA-N 1 2 379.533 4.240 20 0 GIADLO Cc1cccc2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12 ZINC001164707361 719900436 /nfs/dbraw/zinc/90/04/36/719900436.db2.gz QKUHKZAPSCLXMD-UHFFFAOYSA-N 1 2 393.556 4.476 20 0 GIADLO Cc1cccc2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164707361 719900448 /nfs/dbraw/zinc/90/04/48/719900448.db2.gz QKUHKZAPSCLXMD-UHFFFAOYSA-N 1 2 393.556 4.476 20 0 GIADLO Clc1cc(Cl)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164721163 720356116 /nfs/dbraw/zinc/35/61/16/720356116.db2.gz AVGABYXMWPZQEB-ZIAGYGMSSA-N 1 2 383.710 4.290 20 0 GIADLO Clc1cc(Cl)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164721163 720356120 /nfs/dbraw/zinc/35/61/20/720356120.db2.gz AVGABYXMWPZQEB-ZIAGYGMSSA-N 1 2 383.710 4.290 20 0 GIADLO Clc1cnc(Cl)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1Cl ZINC001164730449 720389316 /nfs/dbraw/zinc/38/93/16/720389316.db2.gz XKVKDXCJVRJSAH-UONOGXRCSA-N 1 2 383.710 4.290 20 0 GIADLO Clc1cnc(Cl)c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1Cl ZINC001164730449 720389317 /nfs/dbraw/zinc/38/93/17/720389317.db2.gz XKVKDXCJVRJSAH-UONOGXRCSA-N 1 2 383.710 4.290 20 0 GIADLO Cc1c(Cl)ccc2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc21 ZINC001165008342 721709457 /nfs/dbraw/zinc/70/94/57/721709457.db2.gz FIASNCVSTUKMGZ-UHFFFAOYSA-N 1 2 398.942 4.039 20 0 GIADLO Cc1c(Cl)ccc2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc21 ZINC001165008342 721709460 /nfs/dbraw/zinc/70/94/60/721709460.db2.gz FIASNCVSTUKMGZ-UHFFFAOYSA-N 1 2 398.942 4.039 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164950353 721998894 /nfs/dbraw/zinc/99/88/94/721998894.db2.gz IIVWTQQQFOJLRC-UHFFFAOYSA-N 1 2 397.910 4.047 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164950353 721998895 /nfs/dbraw/zinc/99/88/95/721998895.db2.gz IIVWTQQQFOJLRC-UHFFFAOYSA-N 1 2 397.910 4.047 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc(SC)cc1 ZINC000175863327 823058426 /nfs/dbraw/zinc/05/84/26/823058426.db2.gz RFHKRXYLDXXSAP-UHFFFAOYSA-N 1 2 398.576 4.252 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2ccncc2C)cc1 ZINC000120752955 823057314 /nfs/dbraw/zinc/05/73/14/823057314.db2.gz LUWMWSIEJVJFDF-UHFFFAOYSA-N 1 2 393.491 4.110 20 0 GIADLO O=c1cc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)nc2ccccn12 ZINC000055873495 823058168 /nfs/dbraw/zinc/05/81/68/823058168.db2.gz IMLOCOSMDYDGMS-QFIPXVFZSA-N 1 2 393.849 4.366 20 0 GIADLO COc1cccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2Br)c1 ZINC000055897834 823063381 /nfs/dbraw/zinc/06/33/81/823063381.db2.gz SOQCTKWBOZNEJA-UHFFFAOYSA-N 1 2 380.282 4.107 20 0 GIADLO COc1cccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2Br)c1 ZINC000055897834 823063386 /nfs/dbraw/zinc/06/33/86/823063386.db2.gz SOQCTKWBOZNEJA-UHFFFAOYSA-N 1 2 380.282 4.107 20 0 GIADLO c1csc(N2CCC[N@@H+](Cc3csc(CCc4ccccc4)n3)CC2)n1 ZINC000175901482 823067819 /nfs/dbraw/zinc/06/78/19/823067819.db2.gz MEGFQZISOBNJTF-UHFFFAOYSA-N 1 2 384.574 4.097 20 0 GIADLO c1csc(N2CCC[N@H+](Cc3csc(CCc4ccccc4)n3)CC2)n1 ZINC000175901482 823067824 /nfs/dbraw/zinc/06/78/24/823067824.db2.gz MEGFQZISOBNJTF-UHFFFAOYSA-N 1 2 384.574 4.097 20 0 GIADLO O=C(COc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000570641049 823065824 /nfs/dbraw/zinc/06/58/24/823065824.db2.gz NACNZFITXOPGBY-WKILWMFISA-N 1 2 393.409 4.019 20 0 GIADLO COc1cc(-c2ccccc2)sc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120814951 823069815 /nfs/dbraw/zinc/06/98/15/823069815.db2.gz JTEXAYRHPGMROH-INIZCTEOSA-N 1 2 395.528 4.252 20 0 GIADLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1c(F)cccc1Cl ZINC000175915345 823071480 /nfs/dbraw/zinc/07/14/80/823071480.db2.gz JQVLPLUHJCTVDS-ZDUSSCGKSA-N 1 2 376.863 4.035 20 0 GIADLO CC(C)(C)OC(=O)Nc1ccccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000120835469 823073774 /nfs/dbraw/zinc/07/37/74/823073774.db2.gz GEBFJPFLUSIPIB-UHFFFAOYSA-N 1 2 384.480 4.051 20 0 GIADLO O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000120838767 823074387 /nfs/dbraw/zinc/07/43/87/823074387.db2.gz NHFDDPIWDNCJTM-UHFFFAOYSA-N 1 2 397.482 4.213 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000120853975 823077102 /nfs/dbraw/zinc/07/71/02/823077102.db2.gz KNZGKASJIUTURD-INIZCTEOSA-N 1 2 391.968 4.427 20 0 GIADLO Cc1cc(Br)cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000187500411 823076161 /nfs/dbraw/zinc/07/61/61/823076161.db2.gz OWKFCFZJXDONFL-CJNGLKHVSA-N 1 2 377.286 4.069 20 0 GIADLO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(=O)c3ccccc3[nH]2)c1 ZINC000056016805 823079605 /nfs/dbraw/zinc/07/96/05/823079605.db2.gz TYIRJRYDJOENFN-UHFFFAOYSA-N 1 2 386.455 4.149 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2occc2CSc2ccccc2)C1 ZINC000120872658 823080342 /nfs/dbraw/zinc/08/03/42/823080342.db2.gz CXGZXKRWPAJBOS-KRWDZBQOSA-N 1 2 395.528 4.400 20 0 GIADLO C[C@H]1C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H](c2ccsc2)O1 ZINC000120879607 823081281 /nfs/dbraw/zinc/08/12/81/823081281.db2.gz GEALVNVIHGWEOY-LAUBAEHRSA-N 1 2 384.545 4.336 20 0 GIADLO C[C@H]1C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H](c2ccsc2)O1 ZINC000120879607 823081287 /nfs/dbraw/zinc/08/12/87/823081287.db2.gz GEALVNVIHGWEOY-LAUBAEHRSA-N 1 2 384.545 4.336 20 0 GIADLO Cc1sc2nc([C@H](C)[N@@H+]3CCSC4(CCCCC4)C3)[nH]c(=O)c2c1C ZINC000175968909 823084236 /nfs/dbraw/zinc/08/42/36/823084236.db2.gz SLIQUYJSJPJBCW-ZDUSSCGKSA-N 1 2 377.579 4.414 20 0 GIADLO Cc1sc2nc([C@H](C)[N@H+]3CCSC4(CCCCC4)C3)[nH]c(=O)c2c1C ZINC000175968909 823084239 /nfs/dbraw/zinc/08/42/39/823084239.db2.gz SLIQUYJSJPJBCW-ZDUSSCGKSA-N 1 2 377.579 4.414 20 0 GIADLO CC(C)c1nc2n(n1)CCC[C@@H]2Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000570789420 823087827 /nfs/dbraw/zinc/08/78/27/823087827.db2.gz LLJRXNZFFGWDTQ-HNNXBMFYSA-N 1 2 375.398 4.337 20 0 GIADLO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000120929277 823088284 /nfs/dbraw/zinc/08/82/84/823088284.db2.gz OMCQWXAJDZAQOY-OALUTQOASA-N 1 2 393.535 4.169 20 0 GIADLO CCCC(=O)Nc1cccc(C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)c1 ZINC000056161647 823092509 /nfs/dbraw/zinc/09/25/09/823092509.db2.gz AFRBXJBBAPFADF-QHCPKHFHSA-N 1 2 393.531 4.269 20 0 GIADLO Cc1cc(CNc2ccccc2C[NH+]2CCOCC2)sc1Br ZINC000120956478 823092935 /nfs/dbraw/zinc/09/29/35/823092935.db2.gz JCJXFCZZBFECIN-UHFFFAOYSA-N 1 2 381.339 4.263 20 0 GIADLO CCCOc1ccc(CNC(=O)Nc2ccn3cc[nH+]c3c2)c(OC(F)F)c1 ZINC000570861667 823097809 /nfs/dbraw/zinc/09/78/09/823097809.db2.gz JCOIXJQSILMUFU-UHFFFAOYSA-N 1 2 390.390 4.046 20 0 GIADLO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000176010140 823095232 /nfs/dbraw/zinc/09/52/32/823095232.db2.gz GABYQBJVOVCUFO-IBGZPJMESA-N 1 2 383.879 4.059 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187636815 823102746 /nfs/dbraw/zinc/10/27/46/823102746.db2.gz PHVJCJBTCGXNPC-UHFFFAOYSA-N 1 2 399.416 4.298 20 0 GIADLO CCCN(CCc1ccccn1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458879889 823101040 /nfs/dbraw/zinc/10/10/40/823101040.db2.gz JUCDUAWVAQKYOA-UHFFFAOYSA-N 1 2 397.910 4.085 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC1(Cc2ccccc2)CCCC1 ZINC000570891588 823103096 /nfs/dbraw/zinc/10/30/96/823103096.db2.gz SIEJUNUCJHYCFZ-UHFFFAOYSA-N 1 2 387.527 4.393 20 0 GIADLO COc1cccc(C[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1OC ZINC000056201868 823101904 /nfs/dbraw/zinc/10/19/04/823101904.db2.gz QFCHALYVQGGXNA-QFIPXVFZSA-N 1 2 390.483 4.482 20 0 GIADLO O=C(N[C@H]1CCC[C@H]1F)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000458887905 823101988 /nfs/dbraw/zinc/10/19/88/823101988.db2.gz QPJYUUZKDSIQKJ-MSOLQXFVSA-N 1 2 396.869 4.168 20 0 GIADLO Cn1c[nH+]cc1CNC(=O)NCc1ccc(Oc2cccc3ccccc32)cc1 ZINC000570894247 823104045 /nfs/dbraw/zinc/10/40/45/823104045.db2.gz IBDPLUQGDWVQBC-UHFFFAOYSA-N 1 2 386.455 4.365 20 0 GIADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3ccc(OC4CCOCC4)cc3)ccc21 ZINC000570916130 823107086 /nfs/dbraw/zinc/10/70/86/823107086.db2.gz JOHCYGWWXBPUHB-UHFFFAOYSA-N 1 2 391.471 4.111 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000121049131 823109031 /nfs/dbraw/zinc/10/90/31/823109031.db2.gz ZKNIZQMFVKSQSR-LBPRGKRZSA-N 1 2 378.567 4.152 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000121049131 823109035 /nfs/dbraw/zinc/10/90/35/823109035.db2.gz ZKNIZQMFVKSQSR-LBPRGKRZSA-N 1 2 378.567 4.152 20 0 GIADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000570951233 823111632 /nfs/dbraw/zinc/11/16/32/823111632.db2.gz RKWFJRMLEPHEEL-QAQDUYKDSA-N 1 2 395.894 4.278 20 0 GIADLO CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000570987334 823115948 /nfs/dbraw/zinc/11/59/48/823115948.db2.gz NBOWIQAIVIPMID-SFHVURJKSA-N 1 2 394.515 4.100 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccccc2N(C)C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000121097932 823117810 /nfs/dbraw/zinc/11/78/10/823117810.db2.gz HHIDPURDTNXCIN-LAUBAEHRSA-N 1 2 381.524 4.377 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(-c2ccccn2)cc1 ZINC000571009736 823119547 /nfs/dbraw/zinc/11/95/47/823119547.db2.gz OIAVWTRZLXILON-UHFFFAOYSA-N 1 2 383.455 4.315 20 0 GIADLO COC(=O)c1sccc1NC(=O)C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121134944 823124290 /nfs/dbraw/zinc/12/42/90/823124290.db2.gz PJESLEZGRGDMQA-LBPRGKRZSA-N 1 2 395.550 4.055 20 0 GIADLO COC(=O)c1sccc1NC(=O)C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121134944 823124292 /nfs/dbraw/zinc/12/42/92/823124292.db2.gz PJESLEZGRGDMQA-LBPRGKRZSA-N 1 2 395.550 4.055 20 0 GIADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121129791 823123280 /nfs/dbraw/zinc/12/32/80/823123280.db2.gz SJKTWPKSBLBBHN-BHYGNILZSA-N 1 2 377.271 4.172 20 0 GIADLO COC(=O)COc1ccc(C[N@H+](C)Cc2csc(-c3ccsc3)n2)cc1 ZINC000187742767 823123638 /nfs/dbraw/zinc/12/36/38/823123638.db2.gz VJAMQTVAEWZZTI-UHFFFAOYSA-N 1 2 388.514 4.055 20 0 GIADLO COC(=O)COc1ccc(C[N@@H+](C)Cc2csc(-c3ccsc3)n2)cc1 ZINC000187742767 823123640 /nfs/dbraw/zinc/12/36/40/823123640.db2.gz VJAMQTVAEWZZTI-UHFFFAOYSA-N 1 2 388.514 4.055 20 0 GIADLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000176119609 823126494 /nfs/dbraw/zinc/12/64/94/823126494.db2.gz TWSBNUYSDFNLSX-SANMLTNESA-N 1 2 391.899 4.170 20 0 GIADLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000176119609 823126498 /nfs/dbraw/zinc/12/64/98/823126498.db2.gz TWSBNUYSDFNLSX-SANMLTNESA-N 1 2 391.899 4.170 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000121146719 823127114 /nfs/dbraw/zinc/12/71/14/823127114.db2.gz JFGCGUCKVQQLHJ-DOTOQJQBSA-N 1 2 387.549 4.208 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000121146719 823127116 /nfs/dbraw/zinc/12/71/16/823127116.db2.gz JFGCGUCKVQQLHJ-DOTOQJQBSA-N 1 2 387.549 4.208 20 0 GIADLO CCn1c(=S)n(C[N@H+](C)CCC2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000121156708 823129217 /nfs/dbraw/zinc/12/92/17/823129217.db2.gz WWJFODZERPELJD-UHFFFAOYSA-N 1 2 394.972 4.460 20 0 GIADLO CCn1c(=S)n(C[N@@H+](C)CCC2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000121156708 823129219 /nfs/dbraw/zinc/12/92/19/823129219.db2.gz WWJFODZERPELJD-UHFFFAOYSA-N 1 2 394.972 4.460 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)[C@H]2CCSC2)cs1)c1ccc(C)c(C)c1 ZINC000121158911 823129716 /nfs/dbraw/zinc/12/97/16/823129716.db2.gz KEVNLJHLAXNECR-SFHVURJKSA-N 1 2 375.563 4.382 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)[C@H]2CCSC2)cs1)c1ccc(C)c(C)c1 ZINC000121158911 823129719 /nfs/dbraw/zinc/12/97/19/823129719.db2.gz KEVNLJHLAXNECR-SFHVURJKSA-N 1 2 375.563 4.382 20 0 GIADLO C[C@@H](NC(=O)NCc1cccc(OC(F)F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176133287 823131906 /nfs/dbraw/zinc/13/19/06/823131906.db2.gz VZIIXWJZHOWXHE-CQSZACIVSA-N 1 2 386.402 4.034 20 0 GIADLO Cn1ccnc1[C@@H]([NH2+]Cc1cc(Br)ccc1Br)C1CC1 ZINC000187785882 823132483 /nfs/dbraw/zinc/13/24/83/823132483.db2.gz STZXRONKNLMUNC-AWEZNQCLSA-N 1 2 399.130 4.186 20 0 GIADLO Cc1sc(CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)nc1-c1ccccc1 ZINC000571110491 823133613 /nfs/dbraw/zinc/13/36/13/823133613.db2.gz ZKSWUUOIMJSKPW-GOSISDBHSA-N 1 2 381.530 4.220 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000056368941 823138343 /nfs/dbraw/zinc/13/83/43/823138343.db2.gz GEEGUQKNZCGJFH-UHFFFAOYSA-N 1 2 389.286 4.400 20 0 GIADLO CC(C)(C)c1cnc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)s1 ZINC000571152444 823141576 /nfs/dbraw/zinc/14/15/76/823141576.db2.gz OIULSVHHBAQMAF-UHFFFAOYSA-N 1 2 383.561 4.497 20 0 GIADLO CC(C)(C)c1cnc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)s1 ZINC000571152444 823141578 /nfs/dbraw/zinc/14/15/78/823141578.db2.gz OIULSVHHBAQMAF-UHFFFAOYSA-N 1 2 383.561 4.497 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000571158957 823142263 /nfs/dbraw/zinc/14/22/63/823142263.db2.gz LVOPDKGFFVCOME-WGSAOQKQSA-N 1 2 394.906 4.330 20 0 GIADLO COc1cccc2c(NC3CCC([NH+]4CCC(C)CC4)CC3)c(C(=O)[O-])c[nH+]c12 ZINC000571169498 823143598 /nfs/dbraw/zinc/14/35/98/823143598.db2.gz RSIAPYXTXDWLCZ-UHFFFAOYSA-N 1 2 397.519 4.397 20 0 GIADLO O=C(Nc1ccc(-n2cccn2)cc1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000121269469 823151969 /nfs/dbraw/zinc/15/19/69/823151969.db2.gz HZRWYCKCKPYDIE-YADHBBJMSA-N 1 2 398.470 4.119 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC1CCC(C(F)F)CC1 ZINC000459265592 823153749 /nfs/dbraw/zinc/15/37/49/823153749.db2.gz VNUFFBZYVKMVEG-UHFFFAOYSA-N 1 2 394.510 4.153 20 0 GIADLO COc1cccc(C[N@H+](C)Cc2nc(-c3cc(Br)cs3)no2)c1 ZINC000056492160 823159351 /nfs/dbraw/zinc/15/93/51/823159351.db2.gz TWGVOAHCQINLPZ-UHFFFAOYSA-N 1 2 394.294 4.201 20 0 GIADLO COc1cccc(C[N@@H+](C)Cc2nc(-c3cc(Br)cs3)no2)c1 ZINC000056492160 823159355 /nfs/dbraw/zinc/15/93/55/823159355.db2.gz TWGVOAHCQINLPZ-UHFFFAOYSA-N 1 2 394.294 4.201 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(N2CCCCC2)cc1 ZINC000056523563 823161650 /nfs/dbraw/zinc/16/16/50/823161650.db2.gz FKTXTKIHLMUZFA-UHFFFAOYSA-N 1 2 375.476 4.184 20 0 GIADLO CC(C)(C[NH2+][C@H](c1nnc[nH]1)c1ccccc1)c1cccc(Br)c1 ZINC000571318355 823164493 /nfs/dbraw/zinc/16/44/93/823164493.db2.gz HCIQNESWSBCRBM-KRWDZBQOSA-N 1 2 385.309 4.224 20 0 GIADLO COCc1cc(C[N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)no1 ZINC000459346832 823167408 /nfs/dbraw/zinc/16/74/08/823167408.db2.gz BXBJVYWLGPUYFH-MRXNPFEDSA-N 1 2 388.512 4.097 20 0 GIADLO COCc1cc(C[N@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)no1 ZINC000459346832 823167413 /nfs/dbraw/zinc/16/74/13/823167413.db2.gz BXBJVYWLGPUYFH-MRXNPFEDSA-N 1 2 388.512 4.097 20 0 GIADLO CCN(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(OC)c1 ZINC000459372851 823175478 /nfs/dbraw/zinc/17/54/78/823175478.db2.gz ZUVFNZQXSPWGSP-QZTJIDSGSA-N 1 2 397.519 4.363 20 0 GIADLO COc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121389452 823175880 /nfs/dbraw/zinc/17/58/80/823175880.db2.gz QLXBGXBXGOQHCF-HXUWFJFHSA-N 1 2 389.455 4.127 20 0 GIADLO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cccc(O)c2Br)c1 ZINC000459379948 823177964 /nfs/dbraw/zinc/17/79/64/823177964.db2.gz YSJHACJPPBAXOO-CYBMUJFWSA-N 1 2 391.309 4.429 20 0 GIADLO CC(C)(C)c1cc(NC(=O)NCCCCn2cc[nH+]c2)n(-c2ccc(F)cc2)n1 ZINC000056603127 823178728 /nfs/dbraw/zinc/17/87/28/823178728.db2.gz HHVFDAXDWHIHQY-UHFFFAOYSA-N 1 2 398.486 4.107 20 0 GIADLO C[C@H](CC(=O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1)n1cc[nH+]c1 ZINC000571450746 823184539 /nfs/dbraw/zinc/18/45/39/823184539.db2.gz UUBQHNYVZWQWAT-AEFFLSMTSA-N 1 2 379.464 4.028 20 0 GIADLO COc1cc(F)ccc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000121500663 823195377 /nfs/dbraw/zinc/19/53/77/823195377.db2.gz BNRFYPWWDDCFNV-QUCCMNQESA-N 1 2 380.423 4.081 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)CCc2ccc(F)cc2)C[C@H](C)O1 ZINC000056661879 823192092 /nfs/dbraw/zinc/19/20/92/823192092.db2.gz WXOZGQZKIIFZTH-HDICACEKSA-N 1 2 399.510 4.141 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)CCc2ccc(F)cc2)C[C@H](C)O1 ZINC000056661879 823192094 /nfs/dbraw/zinc/19/20/94/823192094.db2.gz WXOZGQZKIIFZTH-HDICACEKSA-N 1 2 399.510 4.141 20 0 GIADLO O=C(c1occc1CSc1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121502284 823195674 /nfs/dbraw/zinc/19/56/74/823195674.db2.gz UOHSRUGLQOTJBD-SFHVURJKSA-N 1 2 380.469 4.260 20 0 GIADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CC[C@H](COC(F)F)C1 ZINC000571527239 823195904 /nfs/dbraw/zinc/19/59/04/823195904.db2.gz AWQDDQDDROLOLB-AWEZNQCLSA-N 1 2 378.419 4.094 20 0 GIADLO C[C@@H](CNC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)Cn1cc[nH+]c1 ZINC000176392589 823197206 /nfs/dbraw/zinc/19/72/06/823197206.db2.gz HODCHKRJIWSBLW-JXFKEZNVSA-N 1 2 383.492 4.308 20 0 GIADLO COc1ccc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c(C)c1OC ZINC000571541114 823197832 /nfs/dbraw/zinc/19/78/32/823197832.db2.gz BMSQSEHBQHBYIS-INMHGKMJSA-N 1 2 385.508 4.194 20 0 GIADLO OC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2)CC[C@H]1C(F)(F)F ZINC000459466955 823198468 /nfs/dbraw/zinc/19/84/68/823198468.db2.gz POPFAFHQZFXTNY-GXFFZTMASA-N 1 2 386.639 4.095 20 0 GIADLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2)CC[C@H]1C(F)(F)F ZINC000459466955 823198474 /nfs/dbraw/zinc/19/84/74/823198474.db2.gz POPFAFHQZFXTNY-GXFFZTMASA-N 1 2 386.639 4.095 20 0 GIADLO O[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000188213331 823204210 /nfs/dbraw/zinc/20/42/10/823204210.db2.gz WOXMKJLHYYLIPI-WBVHZDCISA-N 1 2 380.250 4.268 20 0 GIADLO CCS(=O)(=O)C1CC[NH+](Cc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC000459505973 823206359 /nfs/dbraw/zinc/20/63/59/823206359.db2.gz INZBYSZMEZOZDG-UHFFFAOYSA-N 1 2 387.545 4.070 20 0 GIADLO CCOc1cc(CNc2cccc[nH+]2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000121566336 823207092 /nfs/dbraw/zinc/20/70/92/823207092.db2.gz PSJKOTJBCLIDHB-UHFFFAOYSA-N 1 2 385.508 4.117 20 0 GIADLO O=C1C[C@@]2(CC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C2)Oc2ccccc21 ZINC000571620768 823210260 /nfs/dbraw/zinc/21/02/60/823210260.db2.gz SGNZWYWPIDUTFL-JOCHJYFZSA-N 1 2 378.403 4.091 20 0 GIADLO O=C1C[C@@]2(CC[N@H+](Cc3coc(-c4cccc(F)c4)n3)C2)Oc2ccccc21 ZINC000571620768 823210266 /nfs/dbraw/zinc/21/02/66/823210266.db2.gz SGNZWYWPIDUTFL-JOCHJYFZSA-N 1 2 378.403 4.091 20 0 GIADLO Fc1ccc([C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)c2ncc[nH]2)cc1 ZINC000188262231 823210905 /nfs/dbraw/zinc/21/09/05/823210905.db2.gz ODVLZUNCKSWRCG-JOCHJYFZSA-N 1 2 395.478 4.124 20 0 GIADLO C[C@H](CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1C(F)(F)F ZINC000121606323 823214811 /nfs/dbraw/zinc/21/48/11/823214811.db2.gz WQZOMYAAMXYODU-GDBMZVCRSA-N 1 2 378.394 4.274 20 0 GIADLO Cc1cccc(-c2noc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCC3)n2)c1 ZINC000459538959 823215331 /nfs/dbraw/zinc/21/53/31/823215331.db2.gz WCCIXOASZHUZJG-OAQYLSRUSA-N 1 2 377.488 4.429 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3c(F)cccc3Cl)CC2)c1 ZINC000571676833 823217670 /nfs/dbraw/zinc/21/76/70/823217670.db2.gz OVJXDKQPPLIMJL-AWEZNQCLSA-N 1 2 391.874 4.398 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000056831546 823220039 /nfs/dbraw/zinc/22/00/39/823220039.db2.gz CCXGJAAAVZJZDH-UHFFFAOYSA-N 1 2 394.494 4.210 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1)Nc1c(Cl)cccc1Cl ZINC000121637236 823220220 /nfs/dbraw/zinc/22/02/20/823220220.db2.gz BGULCIPPZWMOOH-QGZVFWFLSA-N 1 2 395.286 4.101 20 0 GIADLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1)Nc1c(Cl)cccc1Cl ZINC000121637236 823220225 /nfs/dbraw/zinc/22/02/25/823220225.db2.gz BGULCIPPZWMOOH-QGZVFWFLSA-N 1 2 395.286 4.101 20 0 GIADLO Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000409454069 823222592 /nfs/dbraw/zinc/22/25/92/823222592.db2.gz RCURXGDOSQCLMD-CQSZACIVSA-N 1 2 387.842 4.057 20 0 GIADLO C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1C(F)(F)F ZINC000056853860 823224785 /nfs/dbraw/zinc/22/47/85/823224785.db2.gz RDBILYQBGXVSMV-CQSZACIVSA-N 1 2 392.425 4.130 20 0 GIADLO Brc1cccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@@H]3CCCO3)o2)c1 ZINC000571721063 823224940 /nfs/dbraw/zinc/22/49/40/823224940.db2.gz CRNZBSZMRFRQLU-MJGOQNOKSA-N 1 2 392.293 4.089 20 0 GIADLO Brc1cccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@@H]3CCCO3)o2)c1 ZINC000571721063 823224942 /nfs/dbraw/zinc/22/49/42/823224942.db2.gz CRNZBSZMRFRQLU-MJGOQNOKSA-N 1 2 392.293 4.089 20 0 GIADLO CCS[C@H](C)c1noc(C[N@H+](C)CCCC(=O)Nc2c(C)cccc2C)n1 ZINC000121667440 823226175 /nfs/dbraw/zinc/22/61/75/823226175.db2.gz QYVCTMMWXWWELV-MRXNPFEDSA-N 1 2 390.553 4.351 20 0 GIADLO CCS[C@H](C)c1noc(C[N@@H+](C)CCCC(=O)Nc2c(C)cccc2C)n1 ZINC000121667440 823226177 /nfs/dbraw/zinc/22/61/77/823226177.db2.gz QYVCTMMWXWWELV-MRXNPFEDSA-N 1 2 390.553 4.351 20 0 GIADLO Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000056874038 823226564 /nfs/dbraw/zinc/22/65/64/823226564.db2.gz LOLUJZKUFCYTEW-UHFFFAOYSA-N 1 2 391.519 4.263 20 0 GIADLO CCOc1cc(C[NH2+]Cc2c(F)cc(F)cc2F)cc(Br)c1O ZINC000459596492 823227073 /nfs/dbraw/zinc/22/70/73/823227073.db2.gz UXVSTKQWVIVQPX-UHFFFAOYSA-N 1 2 390.199 4.261 20 0 GIADLO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1)c1ccc(F)cc1 ZINC000459598123 823227616 /nfs/dbraw/zinc/22/76/16/823227616.db2.gz UVAVWSBCPGSZSM-QGZVFWFLSA-N 1 2 377.257 4.393 20 0 GIADLO O=C(CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1)c1ccc(F)cc1 ZINC000459598123 823227617 /nfs/dbraw/zinc/22/76/17/823227617.db2.gz UVAVWSBCPGSZSM-QGZVFWFLSA-N 1 2 377.257 4.393 20 0 GIADLO CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895106 823229338 /nfs/dbraw/zinc/22/93/38/823229338.db2.gz IUWLVONXELZXDO-UHFFFAOYSA-N 1 2 388.393 4.233 20 0 GIADLO C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000056895358 823229376 /nfs/dbraw/zinc/22/93/76/823229376.db2.gz KQHHMEQAICHFEV-AWEZNQCLSA-N 1 2 386.402 4.034 20 0 GIADLO CC(C)(O)C1C[NH+](Cc2cc(Br)ccc2OCc2ccccc2)C1 ZINC000459615984 823230242 /nfs/dbraw/zinc/23/02/42/823230242.db2.gz XFRIYBDTWVSTPF-UHFFFAOYSA-N 1 2 390.321 4.231 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000409481208 823230855 /nfs/dbraw/zinc/23/08/55/823230855.db2.gz AAMUQXIQPPYAQD-YFHOEESVSA-N 1 2 399.538 4.472 20 0 GIADLO COc1ccccc1-c1nnc(C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)o1 ZINC000121692279 823231574 /nfs/dbraw/zinc/23/15/74/823231574.db2.gz LVVRZJXBQPLAPM-FOIQADDNSA-N 1 2 381.501 4.424 20 0 GIADLO COc1ccccc1-c1nnc(C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)o1 ZINC000121692279 823231578 /nfs/dbraw/zinc/23/15/78/823231578.db2.gz LVVRZJXBQPLAPM-FOIQADDNSA-N 1 2 381.501 4.424 20 0 GIADLO CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000176538239 823232188 /nfs/dbraw/zinc/23/21/88/823232188.db2.gz ZATGUTILGLMIIR-UHFFFAOYSA-N 1 2 381.907 4.470 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000056931644 823232265 /nfs/dbraw/zinc/23/22/65/823232265.db2.gz JAZHFLVCCRPQEO-HZPDHXFCSA-N 1 2 382.439 4.263 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000056940566 823233381 /nfs/dbraw/zinc/23/33/81/823233381.db2.gz CUCXPNTXAONESP-FQEVSTJZSA-N 1 2 380.879 4.072 20 0 GIADLO CC(C)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000409497891 823234850 /nfs/dbraw/zinc/23/48/50/823234850.db2.gz CKYVNFNQZIVEPH-LJQANCHMSA-N 1 2 380.467 4.250 20 0 GIADLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409504597 823236124 /nfs/dbraw/zinc/23/61/24/823236124.db2.gz SXYBVXURLIZOCC-SFHVURJKSA-N 1 2 396.466 4.426 20 0 GIADLO O=C(NCCn1cc[nH+]c1)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000057035229 823241954 /nfs/dbraw/zinc/24/19/54/823241954.db2.gz YLRWPIBIIUOCLO-SFHVURJKSA-N 1 2 389.286 4.279 20 0 GIADLO Cc1cnn([C@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3Br)C2)c1 ZINC000571848210 823244818 /nfs/dbraw/zinc/24/48/18/823244818.db2.gz PFEQDBQOLYMSAP-AWEZNQCLSA-N 1 2 388.231 4.420 20 0 GIADLO Cc1cnn([C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)ccc3Br)C2)c1 ZINC000571848210 823244824 /nfs/dbraw/zinc/24/48/24/823244824.db2.gz PFEQDBQOLYMSAP-AWEZNQCLSA-N 1 2 388.231 4.420 20 0 GIADLO CN(C)[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000188480114 823247537 /nfs/dbraw/zinc/24/75/37/823247537.db2.gz JPQGEZMVDMDEGS-OALUTQOASA-N 1 2 388.437 4.410 20 0 GIADLO C[C@@H]1CCN(C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000188485373 823248926 /nfs/dbraw/zinc/24/89/26/823248926.db2.gz ITQSMTRGETYYFR-DYVFJYSZSA-N 1 2 395.400 4.182 20 0 GIADLO CCOC[C@@H]1CCCC[N@@H+]1Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000459680639 823249178 /nfs/dbraw/zinc/24/91/78/823249178.db2.gz WABVIICZHXLELG-IBGZPJMESA-N 1 2 391.512 4.358 20 0 GIADLO CCOC[C@@H]1CCCC[N@H+]1Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000459680639 823249182 /nfs/dbraw/zinc/24/91/82/823249182.db2.gz WABVIICZHXLELG-IBGZPJMESA-N 1 2 391.512 4.358 20 0 GIADLO CCc1nc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)sc1C(C)(C)C ZINC000459682829 823250077 /nfs/dbraw/zinc/25/00/77/823250077.db2.gz ATSGPQLBVZTPOK-ZDUSSCGKSA-N 1 2 375.542 4.148 20 0 GIADLO Cc1ccc2nc(C3CC3)cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2c1 ZINC000176617375 823250179 /nfs/dbraw/zinc/25/01/79/823250179.db2.gz QRLYBPPFMHMNOZ-UHFFFAOYSA-N 1 2 378.501 4.117 20 0 GIADLO Cc1ccc2nc(C3CC3)cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2c1 ZINC000176617375 823250182 /nfs/dbraw/zinc/25/01/82/823250182.db2.gz QRLYBPPFMHMNOZ-UHFFFAOYSA-N 1 2 378.501 4.117 20 0 GIADLO O=C(CCOc1ccc2ccccc2c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409570515 823251377 /nfs/dbraw/zinc/25/13/77/823251377.db2.gz OYDHSEMHRNPVLV-UHFFFAOYSA-N 1 2 389.430 4.250 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000057130911 823253093 /nfs/dbraw/zinc/25/30/93/823253093.db2.gz LLAIHYQNELFHLS-KRWDZBQOSA-N 1 2 392.425 4.175 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000057130910 823253202 /nfs/dbraw/zinc/25/32/02/823253202.db2.gz LLAIHYQNELFHLS-QGZVFWFLSA-N 1 2 392.425 4.175 20 0 GIADLO Cn1nc(C2CC2)nc1C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000571915397 823253463 /nfs/dbraw/zinc/25/34/63/823253463.db2.gz DWHOIUMHZQEZIS-UHFFFAOYSA-N 1 2 394.441 4.002 20 0 GIADLO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000057170323 823258415 /nfs/dbraw/zinc/25/84/15/823258415.db2.gz YNOOJPDPQSXTAL-QGZVFWFLSA-N 1 2 384.483 4.154 20 0 GIADLO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000409618496 823263188 /nfs/dbraw/zinc/26/31/88/823263188.db2.gz LBVPYLQOXLAUMJ-LBPRGKRZSA-N 1 2 386.249 4.245 20 0 GIADLO C[C@H](CCCC(F)(F)F)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409618865 823263232 /nfs/dbraw/zinc/26/32/32/823263232.db2.gz YYZKJBIAYDPGRH-HUUCEWRRSA-N 1 2 386.462 4.230 20 0 GIADLO Cc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c(OC[C@@H]2CCCO2)c1 ZINC000571974645 823263907 /nfs/dbraw/zinc/26/39/07/823263907.db2.gz LJKWWYUGQFRYDZ-IBGZPJMESA-N 1 2 383.492 4.195 20 0 GIADLO CCCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@@H](CC)[NH+](C)C ZINC000003551063 817483287 /nfs/dbraw/zinc/48/32/87/817483287.db2.gz MBVWVLMDMNRWGO-QGZVFWFLSA-N 1 2 389.569 4.130 20 0 GIADLO CC[C@H](C)Oc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000176685257 823267396 /nfs/dbraw/zinc/26/73/96/823267396.db2.gz PSHDUXIXPNOXQW-SFHVURJKSA-N 1 2 382.504 4.257 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000176685151 823267473 /nfs/dbraw/zinc/26/74/73/823267473.db2.gz KZHBCDHVDFIWFX-AWEZNQCLSA-N 1 2 378.925 4.284 20 0 GIADLO CC(C)n1cnc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000409653082 823274701 /nfs/dbraw/zinc/27/47/01/823274701.db2.gz PAMSOVNYHCXULH-UHFFFAOYSA-N 1 2 399.498 4.306 20 0 GIADLO COc1cc(OC)cc(-c2nnc(SCc3cn4cc(C)ccc4[nH+]3)o2)c1 ZINC000005435335 817583134 /nfs/dbraw/zinc/58/31/34/817583134.db2.gz SMCFEMCLYTZOCU-UHFFFAOYSA-N 1 2 382.445 4.002 20 0 GIADLO O=C(Nc1ccccc1)c1nnc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)s1 ZINC000121920766 823277454 /nfs/dbraw/zinc/27/74/54/823277454.db2.gz NJZXRDZFKKZJDU-LJQANCHMSA-N 1 2 392.528 4.388 20 0 GIADLO O=C(Nc1ccccc1)c1nnc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)s1 ZINC000121920766 823277461 /nfs/dbraw/zinc/27/74/61/823277461.db2.gz NJZXRDZFKKZJDU-LJQANCHMSA-N 1 2 392.528 4.388 20 0 GIADLO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(Br)c1 ZINC000121943651 823281931 /nfs/dbraw/zinc/28/19/31/823281931.db2.gz XKYQJHLETBKEEM-UHFFFAOYSA-N 1 2 394.338 4.452 20 0 GIADLO Cc1cc(N)nc(SCC(=O)Nc2ccccc2Sc2ccccc2)[nH+]1 ZINC000007048135 817746676 /nfs/dbraw/zinc/74/66/76/817746676.db2.gz AQIUPMKWRBEVOZ-UHFFFAOYSA-N 1 2 382.514 4.249 20 0 GIADLO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)C(=O)Nc1ccc3ccccc3c1)CC2 ZINC000007418572 817836538 /nfs/dbraw/zinc/83/65/38/817836538.db2.gz CSCJYNJQASDAER-MRXNPFEDSA-N 1 2 390.483 4.242 20 0 GIADLO COc1cc2c(cc1OC)C[N@H+]([C@H](C)C(=O)Nc1ccc3ccccc3c1)CC2 ZINC000007418572 817836547 /nfs/dbraw/zinc/83/65/47/817836547.db2.gz CSCJYNJQASDAER-MRXNPFEDSA-N 1 2 390.483 4.242 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCSc1ccccc1F ZINC000007459646 817847708 /nfs/dbraw/zinc/84/77/08/817847708.db2.gz DXINCAWOXRAGJX-UHFFFAOYSA-N 1 2 382.888 4.150 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCSc1ccccc1F ZINC000007459646 817847714 /nfs/dbraw/zinc/84/77/14/817847714.db2.gz DXINCAWOXRAGJX-UHFFFAOYSA-N 1 2 382.888 4.150 20 0 GIADLO COc1cc(C)c(C[N@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1OC ZINC000007582728 817873744 /nfs/dbraw/zinc/87/37/44/817873744.db2.gz BTJXNSSQQWHHQO-UHFFFAOYSA-N 1 2 387.867 4.348 20 0 GIADLO COc1cc(C)c(C[N@@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1OC ZINC000007582728 817873748 /nfs/dbraw/zinc/87/37/48/817873748.db2.gz BTJXNSSQQWHHQO-UHFFFAOYSA-N 1 2 387.867 4.348 20 0 GIADLO C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000122028149 823295746 /nfs/dbraw/zinc/29/57/46/823295746.db2.gz QWYSWYZBFVXUQK-INIZCTEOSA-N 1 2 382.895 4.487 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000188746800 823296793 /nfs/dbraw/zinc/29/67/93/823296793.db2.gz GDIUGTPIQZWNJB-UHFFFAOYSA-N 1 2 385.817 4.136 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000007927293 817961669 /nfs/dbraw/zinc/96/16/69/817961669.db2.gz CUZNLKRMZIWEMM-HNNXBMFYSA-N 1 2 394.924 4.030 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000007927293 817961675 /nfs/dbraw/zinc/96/16/75/817961675.db2.gz CUZNLKRMZIWEMM-HNNXBMFYSA-N 1 2 394.924 4.030 20 0 GIADLO CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000057490560 823303647 /nfs/dbraw/zinc/30/36/47/823303647.db2.gz GJYURSYCVZKZCR-FQEVSTJZSA-N 1 2 394.519 4.006 20 0 GIADLO O=C(c1ccc(OCc2ccccc2)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000008050215 817989227 /nfs/dbraw/zinc/98/92/27/817989227.db2.gz URWGYPPIXDDSSS-UHFFFAOYSA-N 1 2 392.524 4.285 20 0 GIADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057570147 823310715 /nfs/dbraw/zinc/31/07/15/823310715.db2.gz NSNIKCVSGSSZSY-ZWKOTPCHSA-N 1 2 383.511 4.488 20 0 GIADLO CC(C)[C@@H]([NH2+]Cc1ccccc1Oc1ccccc1)c1nc(-c2nc[nH]n2)no1 ZINC000188810813 823310845 /nfs/dbraw/zinc/31/08/45/823310845.db2.gz BNTFOBIIKAZCHI-GOSISDBHSA-N 1 2 390.447 4.134 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1C ZINC000057612907 823314915 /nfs/dbraw/zinc/31/49/15/823314915.db2.gz QEVKJLZJYWCRCW-AWEZNQCLSA-N 1 2 393.434 4.211 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c1C ZINC000057612059 823314385 /nfs/dbraw/zinc/31/43/85/823314385.db2.gz BRHHKXQGWDOLGW-KRWDZBQOSA-N 1 2 385.508 4.397 20 0 GIADLO C[C@H](CC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000572291258 823314452 /nfs/dbraw/zinc/31/44/52/823314452.db2.gz GDEZLDCVVRATEL-SNVBAGLBSA-N 1 2 395.303 4.433 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000014325255 818234980 /nfs/dbraw/zinc/23/49/80/818234980.db2.gz MNAZYMCCDKJTQV-UHFFFAOYSA-N 1 2 394.515 4.154 20 0 GIADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000122227292 823324454 /nfs/dbraw/zinc/32/44/54/823324454.db2.gz KSYYKHDKLVBRHB-INIZCTEOSA-N 1 2 383.879 4.433 20 0 GIADLO COc1cc(C[N@H+](CC(=O)Nc2cccc(C)c2)C2CC2)ccc1OC(F)F ZINC000015036165 818285390 /nfs/dbraw/zinc/28/53/90/818285390.db2.gz ZYCADBSQFXMJHV-UHFFFAOYSA-N 1 2 390.430 4.208 20 0 GIADLO COc1cc(C[N@@H+](CC(=O)Nc2cccc(C)c2)C2CC2)ccc1OC(F)F ZINC000015036165 818285395 /nfs/dbraw/zinc/28/53/95/818285395.db2.gz ZYCADBSQFXMJHV-UHFFFAOYSA-N 1 2 390.430 4.208 20 0 GIADLO Cc1cc(N2CCN(C(=S)Nc3ccc(C)c(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000015152940 818295806 /nfs/dbraw/zinc/29/58/06/818295806.db2.gz UTDWIPYJDZGBDG-UHFFFAOYSA-N 1 2 383.565 4.044 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2ccccc2OCCn2cc[nH+]c2)o1 ZINC000409852983 823326942 /nfs/dbraw/zinc/32/69/42/823326942.db2.gz MAVZYXYFSBNYTO-VSZNYVQBSA-N 1 2 391.471 4.421 20 0 GIADLO CCc1sc(-c2nnc(C[N@H+](C)Cc3ccc(OC)c(OC)c3)o2)cc1C ZINC000015298166 818308390 /nfs/dbraw/zinc/30/83/90/818308390.db2.gz LWCYJENVYRLXLX-UHFFFAOYSA-N 1 2 387.505 4.318 20 0 GIADLO CCc1sc(-c2nnc(C[N@@H+](C)Cc3ccc(OC)c(OC)c3)o2)cc1C ZINC000015298166 818308401 /nfs/dbraw/zinc/30/84/01/818308401.db2.gz LWCYJENVYRLXLX-UHFFFAOYSA-N 1 2 387.505 4.318 20 0 GIADLO CC(C)c1ccc(-c2noc(C[N@H+](C)Cc3ccc4c(c3)OCCO4)n2)cc1 ZINC000015305090 818311033 /nfs/dbraw/zinc/31/10/33/818311033.db2.gz JRWDFMROXKBCCN-UHFFFAOYSA-N 1 2 379.460 4.263 20 0 GIADLO CC(C)c1ccc(-c2noc(C[N@@H+](C)Cc3ccc4c(c3)OCCO4)n2)cc1 ZINC000015305090 818311040 /nfs/dbraw/zinc/31/10/40/818311040.db2.gz JRWDFMROXKBCCN-UHFFFAOYSA-N 1 2 379.460 4.263 20 0 GIADLO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3csc(-c4ccccn4)n3)C2=O)c(C)c1 ZINC000188944936 823331722 /nfs/dbraw/zinc/33/17/22/823331722.db2.gz CJBGCCFMBZIUNH-LJQANCHMSA-N 1 2 392.528 4.025 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C2(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000176959785 823335171 /nfs/dbraw/zinc/33/51/71/823335171.db2.gz OPLKPQNLFVBNES-KDURUIRLSA-N 1 2 378.516 4.257 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C2(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000176959785 823335178 /nfs/dbraw/zinc/33/51/78/823335178.db2.gz OPLKPQNLFVBNES-KDURUIRLSA-N 1 2 378.516 4.257 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000016377311 818431696 /nfs/dbraw/zinc/43/16/96/818431696.db2.gz MAMGEUCCCYOSJZ-ZDUSSCGKSA-N 1 2 396.409 4.182 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000016377311 818431700 /nfs/dbraw/zinc/43/17/00/818431700.db2.gz MAMGEUCCCYOSJZ-ZDUSSCGKSA-N 1 2 396.409 4.182 20 0 GIADLO CCN1C[C@@H](C[N@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)Oc2ccccc21 ZINC000016423484 818441117 /nfs/dbraw/zinc/44/11/17/818441117.db2.gz LNXNBDNQXXIQPS-QGZVFWFLSA-N 1 2 398.894 4.109 20 0 GIADLO CCN1C[C@@H](C[N@@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)Oc2ccccc21 ZINC000016423484 818441123 /nfs/dbraw/zinc/44/11/23/818441123.db2.gz LNXNBDNQXXIQPS-QGZVFWFLSA-N 1 2 398.894 4.109 20 0 GIADLO CCN1C[C@H](C[N@H+](C)Cc2nc(-c3cccc(Cl)c3)no2)Oc2ccccc21 ZINC000016423673 818441466 /nfs/dbraw/zinc/44/14/66/818441466.db2.gz IXOOLUKKSRQCPP-KRWDZBQOSA-N 1 2 398.894 4.109 20 0 GIADLO CCN1C[C@H](C[N@@H+](C)Cc2nc(-c3cccc(Cl)c3)no2)Oc2ccccc21 ZINC000016423673 818441472 /nfs/dbraw/zinc/44/14/72/818441472.db2.gz IXOOLUKKSRQCPP-KRWDZBQOSA-N 1 2 398.894 4.109 20 0 GIADLO CCOC(=O)C1CC[NH+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1 ZINC000016476214 818447796 /nfs/dbraw/zinc/44/77/96/818447796.db2.gz GKDBQPYYLSEVTI-UHFFFAOYSA-N 1 2 396.487 4.001 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H](CO)C1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000016484260 818448380 /nfs/dbraw/zinc/44/83/80/818448380.db2.gz MZOZJCDJSWEOFL-OAHLLOKOSA-N 1 2 390.936 4.134 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H](CO)C1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000016484260 818448384 /nfs/dbraw/zinc/44/83/84/818448384.db2.gz MZOZJCDJSWEOFL-OAHLLOKOSA-N 1 2 390.936 4.134 20 0 GIADLO CCN(Cc1cccc(Cl)c1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000122341948 823341075 /nfs/dbraw/zinc/34/10/75/823341075.db2.gz SOVHHQFUUXAGEL-UHFFFAOYSA-N 1 2 386.927 4.457 20 0 GIADLO CCN(Cc1ccccc1Cl)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000122342185 823341178 /nfs/dbraw/zinc/34/11/78/823341178.db2.gz OKOWPERETFZEQF-UHFFFAOYSA-N 1 2 386.927 4.457 20 0 GIADLO CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176988646 823343531 /nfs/dbraw/zinc/34/35/31/823343531.db2.gz KMOPUYDIDYAPJZ-IEBWSBKVSA-N 1 2 388.537 4.148 20 0 GIADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cc2ccccc2c(=O)o1 ZINC000409963042 823355412 /nfs/dbraw/zinc/35/54/12/823355412.db2.gz QHGJBPFNFHFSPO-UHFFFAOYSA-N 1 2 385.423 4.245 20 0 GIADLO Cc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1NC(=O)c1ccccc1F ZINC000460327984 823354827 /nfs/dbraw/zinc/35/48/27/823354827.db2.gz XHDJMTZVHBWETE-UHFFFAOYSA-N 1 2 388.402 4.286 20 0 GIADLO COc1cc(Cl)ccc1-c1noc(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000572533360 823356068 /nfs/dbraw/zinc/35/60/68/823356068.db2.gz FPMMNBTUGKWTEA-UHFFFAOYSA-N 1 2 380.835 4.234 20 0 GIADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000021579899 818707233 /nfs/dbraw/zinc/70/72/33/818707233.db2.gz FZHLFNHVARIKIL-QHCPKHFHSA-N 1 2 388.511 4.227 20 0 GIADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000021579899 818707237 /nfs/dbraw/zinc/70/72/37/818707237.db2.gz FZHLFNHVARIKIL-QHCPKHFHSA-N 1 2 388.511 4.227 20 0 GIADLO Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3cccc4[nH+]ccn43)cc12 ZINC000460335746 823357224 /nfs/dbraw/zinc/35/72/24/823357224.db2.gz PTJHILDGEJLTEI-UHFFFAOYSA-N 1 2 387.468 4.355 20 0 GIADLO Cc1ccc(C(=O)N[C@H](CC(=O)Nc2cccc3[nH+]ccn32)c2ccccc2)cc1 ZINC000460337634 823357517 /nfs/dbraw/zinc/35/75/17/823357517.db2.gz WURBWXDBEDJYTB-HXUWFJFHSA-N 1 2 398.466 4.143 20 0 GIADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000021917899 818755759 /nfs/dbraw/zinc/75/57/59/818755759.db2.gz PLOAYXANOCOVFO-SFHVURJKSA-N 1 2 381.520 4.145 20 0 GIADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000021917899 818755766 /nfs/dbraw/zinc/75/57/66/818755766.db2.gz PLOAYXANOCOVFO-SFHVURJKSA-N 1 2 381.520 4.145 20 0 GIADLO Cc1cc(N)nc(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)[nH+]1 ZINC000022090103 818771234 /nfs/dbraw/zinc/77/12/34/818771234.db2.gz BXLYGAORIHUZDV-KRWDZBQOSA-N 1 2 392.528 4.077 20 0 GIADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000122488216 823361820 /nfs/dbraw/zinc/36/18/20/823361820.db2.gz VZBVXHHSZIEGLV-UHFFFAOYSA-N 1 2 393.318 4.199 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccccc2F)no1)c1ccc(Br)cc1 ZINC000189160559 823367887 /nfs/dbraw/zinc/36/78/87/823367887.db2.gz MNBJYOLBLQFCPJ-LLVKDONJSA-N 1 2 376.229 4.489 20 0 GIADLO COc1ccc(C[N@H+](C)Cn2c(CCC3CCCC3)n[nH]c2=S)cc1F ZINC000058205044 823368343 /nfs/dbraw/zinc/36/83/43/823368343.db2.gz FHMIHNLGMXJKAJ-UHFFFAOYSA-N 1 2 378.517 4.301 20 0 GIADLO COc1ccc(C[N@@H+](C)Cn2c(CCC3CCCC3)n[nH]c2=S)cc1F ZINC000058205044 823368348 /nfs/dbraw/zinc/36/83/48/823368348.db2.gz FHMIHNLGMXJKAJ-UHFFFAOYSA-N 1 2 378.517 4.301 20 0 GIADLO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000022786216 818860820 /nfs/dbraw/zinc/86/08/20/818860820.db2.gz YKESTSWCCMKWCC-GOSISDBHSA-N 1 2 385.939 4.274 20 0 GIADLO c1sc(Nc2ccccc2)nc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000122540749 823369393 /nfs/dbraw/zinc/36/93/93/823369393.db2.gz DPIJIAVNOLOMBN-NRFANRHFSA-N 1 2 394.544 4.050 20 0 GIADLO Cc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c(C)n1-c1ccccc1C ZINC000058273489 823373685 /nfs/dbraw/zinc/37/36/85/823373685.db2.gz CJABWDXXGRSQMB-UHFFFAOYSA-N 1 2 388.515 4.196 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000058297461 823375872 /nfs/dbraw/zinc/37/58/72/823375872.db2.gz RMRKURJAFPHWRU-HNNXBMFYSA-N 1 2 390.418 4.163 20 0 GIADLO Clc1cccc(-c2cnc(C[NH2+][C@H](CN3CCOCC3)c3ccccc3)o2)c1 ZINC000122585301 823377100 /nfs/dbraw/zinc/37/71/00/823377100.db2.gz NGWGNQNWNCSDHJ-HXUWFJFHSA-N 1 2 397.906 4.158 20 0 GIADLO Clc1cccc(-c2cnc(C[NH2+][C@@H](CN3CCOCC3)c3ccccc3)o2)c1 ZINC000122585571 823377113 /nfs/dbraw/zinc/37/71/13/823377113.db2.gz NGWGNQNWNCSDHJ-FQEVSTJZSA-N 1 2 397.906 4.158 20 0 GIADLO COc1cccc(C[N@H+](C)[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)c1 ZINC000023814671 818985215 /nfs/dbraw/zinc/98/52/15/818985215.db2.gz GFAGFLPBQHEEAB-KBPBESRZSA-N 1 2 397.544 4.311 20 0 GIADLO COc1cccc(C[N@@H+](C)[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)c1 ZINC000023814671 818985222 /nfs/dbraw/zinc/98/52/22/818985222.db2.gz GFAGFLPBQHEEAB-KBPBESRZSA-N 1 2 397.544 4.311 20 0 GIADLO Cc1[nH+]ccn1-c1c(Cl)cccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000572659177 823377580 /nfs/dbraw/zinc/37/75/80/823377580.db2.gz ITIBEXUXOQYHEE-UHFFFAOYSA-N 1 2 379.844 4.082 20 0 GIADLO Cc1ccc(S(=O)(=O)c2ccc(C[NH+]3CCC([C@@H]4CCCO4)CC3)cc2)cc1 ZINC000189237607 823380024 /nfs/dbraw/zinc/38/00/24/823380024.db2.gz COIORSIAJOTPQM-QHCPKHFHSA-N 1 2 399.556 4.219 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)sc2C1 ZINC000024152369 819028042 /nfs/dbraw/zinc/02/80/42/819028042.db2.gz KXUXCRDVGYLETQ-UHFFFAOYSA-N 1 2 387.549 4.226 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)sc2C1 ZINC000024152369 819028050 /nfs/dbraw/zinc/02/80/50/819028050.db2.gz KXUXCRDVGYLETQ-UHFFFAOYSA-N 1 2 387.549 4.226 20 0 GIADLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ncnc3c4ccccc4oc32)cc1 ZINC000024341682 819048303 /nfs/dbraw/zinc/04/83/03/819048303.db2.gz DJGUABKYLYTQPP-IBGZPJMESA-N 1 2 388.471 4.170 20 0 GIADLO Cc1csc(C2([NH2+]Cc3csc(-c4ccc(C(N)=O)cc4)n3)CCCC2)n1 ZINC000177173550 823390713 /nfs/dbraw/zinc/39/07/13/823390713.db2.gz UTSGROWWZNESJR-UHFFFAOYSA-N 1 2 398.557 4.233 20 0 GIADLO O=C(Nc1ccc2nc(C3CC3)sc2c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000058454229 823394032 /nfs/dbraw/zinc/39/40/32/823394032.db2.gz DNMSOPMCMYVYFG-UHFFFAOYSA-N 1 2 393.516 4.359 20 0 GIADLO COc1cc2cc[nH+]c(N3CCC[C@H]3c3cccc4c3OCCO4)c2cc1F ZINC000572794854 823399866 /nfs/dbraw/zinc/39/98/66/823399866.db2.gz BGYFXAUEZOEPBG-SFHVURJKSA-N 1 2 380.419 4.495 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1O ZINC000177214408 823401498 /nfs/dbraw/zinc/40/14/98/823401498.db2.gz XIAXSXHIWIHDLR-GFCCVEGCSA-N 1 2 397.302 4.017 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1O ZINC000177214408 823401500 /nfs/dbraw/zinc/40/15/00/823401500.db2.gz XIAXSXHIWIHDLR-GFCCVEGCSA-N 1 2 397.302 4.017 20 0 GIADLO CCOc1ccc(-c2noc(C[N@H+](C)Cc3ccc(SC)c(OC)c3)n2)cc1 ZINC000058528356 823404284 /nfs/dbraw/zinc/40/42/84/823404284.db2.gz IKJPISUAOVRIJB-UHFFFAOYSA-N 1 2 399.516 4.498 20 0 GIADLO CCOc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(SC)c(OC)c3)n2)cc1 ZINC000058528356 823404288 /nfs/dbraw/zinc/40/42/88/823404288.db2.gz IKJPISUAOVRIJB-UHFFFAOYSA-N 1 2 399.516 4.498 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc4cnccc4c3)CC2)c1 ZINC000572835938 823407797 /nfs/dbraw/zinc/40/77/97/823407797.db2.gz NSPQHCFBIDQZPV-QGZVFWFLSA-N 1 2 390.487 4.154 20 0 GIADLO C[C@@H](c1ccccn1)[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000177262761 823413421 /nfs/dbraw/zinc/41/34/21/823413421.db2.gz LMOUUJAFYKXRSS-INIZCTEOSA-N 1 2 382.508 4.223 20 0 GIADLO C[C@@H]1CCN(C(=O)CSc2cc(Cl)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000122814283 823417074 /nfs/dbraw/zinc/41/70/74/823417074.db2.gz VXIPKVWAOLHJTH-DOMZBBRYSA-N 1 2 384.332 4.392 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000177320307 823431920 /nfs/dbraw/zinc/43/19/20/823431920.db2.gz WKEGYHNVUAMVCY-LJQANCHMSA-N 1 2 395.547 4.349 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc(F)cc1Cl ZINC000024662192 819860990 /nfs/dbraw/zinc/86/09/90/819860990.db2.gz QIIABMACAIOFOV-CYBMUJFWSA-N 1 2 387.842 4.438 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc(F)cc1Cl ZINC000024662192 819861000 /nfs/dbraw/zinc/86/10/00/819861000.db2.gz QIIABMACAIOFOV-CYBMUJFWSA-N 1 2 387.842 4.438 20 0 GIADLO Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000024747816 819872595 /nfs/dbraw/zinc/87/25/95/819872595.db2.gz JRDJKSCWVDVSNY-UHFFFAOYSA-N 1 2 384.483 4.269 20 0 GIADLO O=C(CCSc1ccccc1F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410253938 823435578 /nfs/dbraw/zinc/43/55/78/823435578.db2.gz RVXZBZWWRVOMJO-INIZCTEOSA-N 1 2 387.524 4.247 20 0 GIADLO CCOc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1OC ZINC000024886819 819888911 /nfs/dbraw/zinc/88/89/11/819888911.db2.gz TZNTUSLAMPZVRA-CQSZACIVSA-N 1 2 389.521 4.035 20 0 GIADLO CCOc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1OC ZINC000024886819 819888921 /nfs/dbraw/zinc/88/89/21/819888921.db2.gz TZNTUSLAMPZVRA-CQSZACIVSA-N 1 2 389.521 4.035 20 0 GIADLO CCn1c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc2ccccc21 ZINC000410257965 823437179 /nfs/dbraw/zinc/43/71/79/823437179.db2.gz SYIFMODTNFHTJY-GOSISDBHSA-N 1 2 376.504 4.214 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)C2CC2)cc1 ZINC000025057225 819917068 /nfs/dbraw/zinc/91/70/68/819917068.db2.gz LDVCSBNLYOJPSL-DEOSSOPVSA-N 1 2 390.527 4.157 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](Cc2csc(-c3ccsc3)n2)C2CC2)cc1 ZINC000025193779 819941510 /nfs/dbraw/zinc/94/15/10/819941510.db2.gz PATWHGUAVSREJQ-UHFFFAOYSA-N 1 2 383.542 4.396 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](Cc2csc(-c3ccsc3)n2)C2CC2)cc1 ZINC000025193779 819941517 /nfs/dbraw/zinc/94/15/17/819941517.db2.gz PATWHGUAVSREJQ-UHFFFAOYSA-N 1 2 383.542 4.396 20 0 GIADLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410267599 823441343 /nfs/dbraw/zinc/44/13/43/823441343.db2.gz RQIDUNXURALTNF-SJLPKXTDSA-N 1 2 385.939 4.458 20 0 GIADLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410267600 823441420 /nfs/dbraw/zinc/44/14/20/823441420.db2.gz RQIDUNXURALTNF-WMZOPIPTSA-N 1 2 385.939 4.458 20 0 GIADLO C[NH+](C)[C@@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccsc1 ZINC000025331453 819964628 /nfs/dbraw/zinc/96/46/28/819964628.db2.gz ZEFOGZHOJMHVGV-FQEVSTJZSA-N 1 2 384.545 4.009 20 0 GIADLO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccsc1 ZINC000025331454 819964783 /nfs/dbraw/zinc/96/47/83/819964783.db2.gz ZEFOGZHOJMHVGV-HXUWFJFHSA-N 1 2 384.545 4.009 20 0 GIADLO CCCc1c(C(=O)Nc2cccc3c2C[N@H+](C)C3)cnn1-c1ccc(F)cc1 ZINC000573059905 823442161 /nfs/dbraw/zinc/44/21/61/823442161.db2.gz RVSXDBRQWCLELH-UHFFFAOYSA-N 1 2 378.451 4.162 20 0 GIADLO CCCc1c(C(=O)Nc2cccc3c2C[N@@H+](C)C3)cnn1-c1ccc(F)cc1 ZINC000573059905 823442164 /nfs/dbraw/zinc/44/21/64/823442164.db2.gz RVSXDBRQWCLELH-UHFFFAOYSA-N 1 2 378.451 4.162 20 0 GIADLO COc1cnccc1[C@H](C)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000189551955 823442353 /nfs/dbraw/zinc/44/23/53/823442353.db2.gz KBWBYDJJCMPFGZ-LBPRGKRZSA-N 1 2 387.281 4.094 20 0 GIADLO COc1ccccc1-c1nn(C[N@H+](C)[C@H]2CCc3ccccc32)c(=S)n1C ZINC000025453119 819983230 /nfs/dbraw/zinc/98/32/30/819983230.db2.gz XGTHIFJYFFHYKK-SFHVURJKSA-N 1 2 380.517 4.203 20 0 GIADLO COc1ccccc1-c1nn(C[N@@H+](C)[C@H]2CCc3ccccc32)c(=S)n1C ZINC000025453119 819983239 /nfs/dbraw/zinc/98/32/39/819983239.db2.gz XGTHIFJYFFHYKK-SFHVURJKSA-N 1 2 380.517 4.203 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(F)ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000189558246 823443656 /nfs/dbraw/zinc/44/36/56/823443656.db2.gz WPNNYLRALLGEIZ-RDJZCZTQSA-N 1 2 383.801 4.324 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2cc(F)ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000189558246 823443657 /nfs/dbraw/zinc/44/36/57/823443657.db2.gz WPNNYLRALLGEIZ-RDJZCZTQSA-N 1 2 383.801 4.324 20 0 GIADLO Cc1cc(C)cc(C2(C(=O)N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)CC2)c1 ZINC000410273193 823443902 /nfs/dbraw/zinc/44/39/02/823443902.db2.gz ZMQZJKYWPUBYNG-LJQANCHMSA-N 1 2 377.532 4.274 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025534056 819998696 /nfs/dbraw/zinc/99/86/96/819998696.db2.gz UVOUXRMFJUNKGE-AWEZNQCLSA-N 1 2 396.409 4.361 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025534056 819998697 /nfs/dbraw/zinc/99/86/97/819998697.db2.gz UVOUXRMFJUNKGE-AWEZNQCLSA-N 1 2 396.409 4.361 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000025680375 820013730 /nfs/dbraw/zinc/01/37/30/820013730.db2.gz WKKFOIVVSYOBMY-CQSZACIVSA-N 1 2 388.414 4.110 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000025680375 820013741 /nfs/dbraw/zinc/01/37/41/820013741.db2.gz WKKFOIVVSYOBMY-CQSZACIVSA-N 1 2 388.414 4.110 20 0 GIADLO C[C@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccc(Br)cc1 ZINC000025689989 820014997 /nfs/dbraw/zinc/01/49/97/820014997.db2.gz XBMMGVVIZIXVHK-NSHDSACASA-N 1 2 398.260 4.283 20 0 GIADLO C[NH+](C)[C@H](CNC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1ccsc1 ZINC000025816234 820028297 /nfs/dbraw/zinc/02/82/97/820028297.db2.gz OPQURCYDKWULIM-HXUWFJFHSA-N 1 2 396.487 4.151 20 0 GIADLO COc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c2ccccc12 ZINC000026216371 820070168 /nfs/dbraw/zinc/07/01/68/820070168.db2.gz WQUQVMRIDFLXMU-UHFFFAOYSA-N 1 2 385.467 4.066 20 0 GIADLO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000026470775 820101497 /nfs/dbraw/zinc/10/14/97/820101497.db2.gz GXAKYCSZLYLYQR-RBUKOAKNSA-N 1 2 391.515 4.129 20 0 GIADLO CC(C)c1nnc2n1CC[N@@H+](CCCc1ccccc1Br)[C@@H]2C ZINC000189591494 823453914 /nfs/dbraw/zinc/45/39/14/823453914.db2.gz KBUDWMAZIXYATH-CQSZACIVSA-N 1 2 377.330 4.173 20 0 GIADLO CC(C)c1nnc2n1CC[N@H+](CCCc1ccccc1Br)[C@@H]2C ZINC000189591494 823453918 /nfs/dbraw/zinc/45/39/18/823453918.db2.gz KBUDWMAZIXYATH-CQSZACIVSA-N 1 2 377.330 4.173 20 0 GIADLO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000026620501 820123610 /nfs/dbraw/zinc/12/36/10/820123610.db2.gz IROZSRIAVMZIJS-UHFFFAOYSA-N 1 2 386.757 4.236 20 0 GIADLO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000026620501 820123617 /nfs/dbraw/zinc/12/36/17/820123617.db2.gz IROZSRIAVMZIJS-UHFFFAOYSA-N 1 2 386.757 4.236 20 0 GIADLO CCCn1c2nn(C[N@H+](CCC(C)C)C3CC3)c(=S)n2c2ccccc2c1=O ZINC000026626233 820124764 /nfs/dbraw/zinc/12/47/64/820124764.db2.gz AGLAVJBPXQEEAE-UHFFFAOYSA-N 1 2 399.564 4.058 20 0 GIADLO CCCn1c2nn(C[N@@H+](CCC(C)C)C3CC3)c(=S)n2c2ccccc2c1=O ZINC000026626233 820124771 /nfs/dbraw/zinc/12/47/71/820124771.db2.gz AGLAVJBPXQEEAE-UHFFFAOYSA-N 1 2 399.564 4.058 20 0 GIADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)Nc1ccccc1OC(F)F ZINC000026877748 820157225 /nfs/dbraw/zinc/15/72/25/820157225.db2.gz UQQTZADHUPNJEP-FQEVSTJZSA-N 1 2 383.398 4.001 20 0 GIADLO CC(C)c1ccc(CCNC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000026879640 820157266 /nfs/dbraw/zinc/15/72/66/820157266.db2.gz JFWIKLBOOODMJW-VWLOTQADSA-N 1 2 387.527 4.243 20 0 GIADLO O=C([C@@H]1CCSc2ccccc21)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410308301 823458786 /nfs/dbraw/zinc/45/87/86/823458786.db2.gz OKSZHFDKNPWXMB-QFBILLFUSA-N 1 2 381.545 4.205 20 0 GIADLO CC(C)COc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058826450 823460052 /nfs/dbraw/zinc/46/00/52/823460052.db2.gz NXCMRTXBXIVCOU-QFIPXVFZSA-N 1 2 398.572 4.128 20 0 GIADLO Fc1ccc(Br)c(F)c1CNc1ccccc1C[NH+]1CCOCC1 ZINC000410314423 823460419 /nfs/dbraw/zinc/46/04/19/823460419.db2.gz KEGZBZHJCZYWBS-UHFFFAOYSA-N 1 2 397.263 4.172 20 0 GIADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000027128659 820197730 /nfs/dbraw/zinc/19/77/30/820197730.db2.gz DEMTXPPYPFFOIA-UHFFFAOYSA-N 1 2 382.504 4.284 20 0 GIADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000027128659 820197735 /nfs/dbraw/zinc/19/77/35/820197735.db2.gz DEMTXPPYPFFOIA-UHFFFAOYSA-N 1 2 382.504 4.284 20 0 GIADLO Cc1cccc(OCCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1C ZINC000410317500 823461355 /nfs/dbraw/zinc/46/13/55/823461355.db2.gz SNERRLFNUTWXHY-UHFFFAOYSA-N 1 2 381.520 4.164 20 0 GIADLO Clc1ccc(OC[C@@H]2CCC[N@@H+]2Cc2noc(-c3ccsc3)n2)cc1 ZINC000027238166 820214289 /nfs/dbraw/zinc/21/42/89/820214289.db2.gz PQBQRFBIRXIWQG-HNNXBMFYSA-N 1 2 375.881 4.495 20 0 GIADLO Clc1ccc(OC[C@@H]2CCC[N@H+]2Cc2noc(-c3ccsc3)n2)cc1 ZINC000027238166 820214293 /nfs/dbraw/zinc/21/42/93/820214293.db2.gz PQBQRFBIRXIWQG-HNNXBMFYSA-N 1 2 375.881 4.495 20 0 GIADLO O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410326029 823463645 /nfs/dbraw/zinc/46/36/45/823463645.db2.gz NLAOGORYRQWBBH-AWEZNQCLSA-N 1 2 395.400 4.397 20 0 GIADLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410326528 823464092 /nfs/dbraw/zinc/46/40/92/823464092.db2.gz OGROGNNMFBNDIP-IFMALSPDSA-N 1 2 379.548 4.440 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2)o1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027476677 820249397 /nfs/dbraw/zinc/24/93/97/820249397.db2.gz IFEFTBLONVKQCW-UHFFFAOYSA-N 1 2 399.494 4.483 20 0 GIADLO C[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1cn(C)c2ccccc12 ZINC000410330902 823465440 /nfs/dbraw/zinc/46/54/40/823465440.db2.gz YURJFQUVMCLABV-ROUUACIJSA-N 1 2 390.531 4.221 20 0 GIADLO C[C@@H]1CCc2c(C(=O)N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)csc2C1 ZINC000410328446 823464510 /nfs/dbraw/zinc/46/45/10/823464510.db2.gz SPGFGYYYFKZGHD-CVEARBPZSA-N 1 2 383.561 4.426 20 0 GIADLO COc1ccc(OC)c(C[N@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C2CC2)c1 ZINC000027605133 820266260 /nfs/dbraw/zinc/26/62/60/820266260.db2.gz WQOYGYZZZVPBON-DEOSSOPVSA-N 1 2 396.531 4.182 20 0 GIADLO COc1ccc(OC)c(C[N@@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C2CC2)c1 ZINC000027605133 820266267 /nfs/dbraw/zinc/26/62/67/820266267.db2.gz WQOYGYZZZVPBON-DEOSSOPVSA-N 1 2 396.531 4.182 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3c[nH]nc3-c3ccccc3)n2)C1 ZINC000028678038 820349480 /nfs/dbraw/zinc/34/94/80/820349480.db2.gz VOIIUQUJKIUVQJ-AWEZNQCLSA-N 1 2 381.505 4.017 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c[nH]nc3-c3ccccc3)n2)C1 ZINC000028678038 820349492 /nfs/dbraw/zinc/34/94/92/820349492.db2.gz VOIIUQUJKIUVQJ-AWEZNQCLSA-N 1 2 381.505 4.017 20 0 GIADLO Cc1ccc(OCCCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000028683211 820350260 /nfs/dbraw/zinc/35/02/60/820350260.db2.gz NZIDSTSMBWCQNG-KRWDZBQOSA-N 1 2 387.549 4.481 20 0 GIADLO Cc1ccc(OCCCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000028683211 820350271 /nfs/dbraw/zinc/35/02/71/820350271.db2.gz NZIDSTSMBWCQNG-KRWDZBQOSA-N 1 2 387.549 4.481 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc(OC(F)F)cc3)n2)C1 ZINC000028684184 820350293 /nfs/dbraw/zinc/35/02/93/820350293.db2.gz ANYATYJKNJGEDO-CYBMUJFWSA-N 1 2 395.475 4.158 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc(OC(F)F)cc3)n2)C1 ZINC000028684184 820350303 /nfs/dbraw/zinc/35/03/03/820350303.db2.gz ANYATYJKNJGEDO-CYBMUJFWSA-N 1 2 395.475 4.158 20 0 GIADLO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000028695091 820352157 /nfs/dbraw/zinc/35/21/57/820352157.db2.gz CEEWTPRRPSXDRV-GOSISDBHSA-N 1 2 391.515 4.313 20 0 GIADLO FC(F)(F)Oc1ccc(Nc2nn(C[NH+]3CCCC3)c(=S)s2)cc1 ZINC000028705166 820352582 /nfs/dbraw/zinc/35/25/82/820352582.db2.gz HTZCHFNLOKYKIJ-UHFFFAOYSA-N 1 2 376.429 4.370 20 0 GIADLO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123170407 823473263 /nfs/dbraw/zinc/47/32/63/823473263.db2.gz IXPMEWUMLHUSJC-KBXCAEBGSA-N 1 2 398.507 4.101 20 0 GIADLO Cc1sc2nc([C@H](C)[NH+]3CCC(OCC4CCCC4)CC3)[nH]c(=O)c2c1C ZINC000177486599 823473694 /nfs/dbraw/zinc/47/36/94/823473694.db2.gz XCAQSELPHMOBEH-AWEZNQCLSA-N 1 2 389.565 4.334 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(Cl)c(Cl)n3C)n2)C1 ZINC000028931738 820375035 /nfs/dbraw/zinc/37/50/35/820375035.db2.gz VGUWNWNPTJJEJZ-JTQLQIEISA-N 1 2 387.336 4.273 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(Cl)c(Cl)n3C)n2)C1 ZINC000028931738 820375039 /nfs/dbraw/zinc/37/50/39/820375039.db2.gz VGUWNWNPTJJEJZ-JTQLQIEISA-N 1 2 387.336 4.273 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(SC)cc2)c1 ZINC000029115002 820394874 /nfs/dbraw/zinc/39/48/74/820394874.db2.gz GOTMOMJILVUEAH-IBGZPJMESA-N 1 2 386.517 4.201 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(SC)cc2)c1 ZINC000029115002 820394885 /nfs/dbraw/zinc/39/48/85/820394885.db2.gz GOTMOMJILVUEAH-IBGZPJMESA-N 1 2 386.517 4.201 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(-c3ccccc3)nc2C)c1C ZINC000058956908 823476069 /nfs/dbraw/zinc/47/60/69/823476069.db2.gz NTQLYPQSEKDGPB-UHFFFAOYSA-N 1 2 375.472 4.350 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000029190457 820409288 /nfs/dbraw/zinc/40/92/88/820409288.db2.gz FLHGOVHPBIUDIB-LJQANCHMSA-N 1 2 390.531 4.141 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000029190457 820409292 /nfs/dbraw/zinc/40/92/92/820409292.db2.gz FLHGOVHPBIUDIB-LJQANCHMSA-N 1 2 390.531 4.141 20 0 GIADLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000029655284 820494439 /nfs/dbraw/zinc/49/44/39/820494439.db2.gz DQTTXVMYZZMNIU-MRXNPFEDSA-N 1 2 391.437 4.294 20 0 GIADLO Cc1ccccc1NC(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000029686326 820497962 /nfs/dbraw/zinc/49/79/62/820497962.db2.gz RKXQBNIVUDOYLS-QZTJIDSGSA-N 1 2 385.939 4.354 20 0 GIADLO Cc1cc(N2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)nc(C(C)C)n1 ZINC000029709492 820503225 /nfs/dbraw/zinc/50/32/25/820503225.db2.gz FUQLZXCTWCHOSH-UHFFFAOYSA-N 1 2 395.482 4.025 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)c1nnnn1C1CCCCC1 ZINC000189736306 823484556 /nfs/dbraw/zinc/48/45/56/823484556.db2.gz MTDIBXQWZWYXJM-STQMWFEESA-N 1 2 378.318 4.353 20 0 GIADLO Cn1ccnc1[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccccc1Cl ZINC000573371111 823485774 /nfs/dbraw/zinc/48/57/74/823485774.db2.gz POTKRKQECNAIMT-ICSRJNTNSA-N 1 2 387.936 4.302 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1csc(COc2ccc(F)cc2)n1 ZINC000029908911 820546083 /nfs/dbraw/zinc/54/60/83/820546083.db2.gz OGQBKBDEKSVBQC-UHFFFAOYSA-N 1 2 394.431 4.299 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(c2cccc(Br)c2)CC1 ZINC000029908135 820546093 /nfs/dbraw/zinc/54/60/93/820546093.db2.gz BGUIRAPPMIAXQA-UHFFFAOYSA-N 1 2 382.261 4.305 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3occc3-c3ccccc3)CC2)cc1 ZINC000029980511 820559934 /nfs/dbraw/zinc/55/99/34/820559934.db2.gz WNHNYIALROWMMR-UHFFFAOYSA-N 1 2 390.483 4.303 20 0 GIADLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C)n1-c1ccc(F)cc1 ZINC000030012140 820569013 /nfs/dbraw/zinc/56/90/13/820569013.db2.gz MASKDFPATCWYAB-UHFFFAOYSA-N 1 2 392.478 4.158 20 0 GIADLO O=C(c1ccc(COc2ccccc2)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030541192 820635941 /nfs/dbraw/zinc/63/59/41/820635941.db2.gz FWZMVKCQDHCNND-UHFFFAOYSA-N 1 2 392.524 4.285 20 0 GIADLO Cc1ccc2[nH+]c(CSc3nnc(COc4ccccc4Cl)n3C)cn2c1 ZINC000030546066 820637952 /nfs/dbraw/zinc/63/79/52/820637952.db2.gz UXQOCMUMNZNCAK-UHFFFAOYSA-N 1 2 399.907 4.296 20 0 GIADLO Cc1ccc(C(C)C)c(OCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000030584858 820645800 /nfs/dbraw/zinc/64/58/00/820645800.db2.gz BKFVHKALDAQEFA-UHFFFAOYSA-N 1 2 377.488 4.058 20 0 GIADLO Cc1c(C[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)sc2nc(C)nc(C)c12 ZINC000030644000 820657068 /nfs/dbraw/zinc/65/70/68/820657068.db2.gz PHWLVWJLZMDPTD-IBGZPJMESA-N 1 2 395.507 4.368 20 0 GIADLO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000123323562 823496159 /nfs/dbraw/zinc/49/61/59/823496159.db2.gz KZWMOPPGIRSZIP-AUUYWEPGSA-N 1 2 395.894 4.025 20 0 GIADLO CCc1nc(C(C)C)ccc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000410497736 823499655 /nfs/dbraw/zinc/49/96/55/823499655.db2.gz KYBJAIMJWVHIDK-UHFFFAOYSA-N 1 2 381.520 4.160 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C[C@H]1n1cc[nH+]c1 ZINC000177604511 823499767 /nfs/dbraw/zinc/49/97/67/823499767.db2.gz YDAFWEVEIDLSAV-CXAGYDPISA-N 1 2 381.505 4.485 20 0 GIADLO C[C@@H]1CCN(C(=O)CCCc2ccc(Br)s2)C[C@@H]1n1cc[nH+]c1 ZINC000123394851 823505160 /nfs/dbraw/zinc/50/51/60/823505160.db2.gz ALXJIJAXOJQBAU-HIFRSBDPSA-N 1 2 396.354 4.140 20 0 GIADLO O=C(Cc1ccc(Cl)cc1Cl)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000060046500 823505701 /nfs/dbraw/zinc/50/57/01/823505701.db2.gz AKWYDVMJSCNNEH-UHFFFAOYSA-N 1 2 378.234 4.177 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2c[nH]c3cccc(F)c23)C[C@H](C)O1 ZINC000123365652 823502002 /nfs/dbraw/zinc/50/20/02/823502002.db2.gz UUMOONSXILQIMU-GASCZTMLSA-N 1 2 381.451 4.169 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2c[nH]c3cccc(F)c23)C[C@H](C)O1 ZINC000123365652 823502005 /nfs/dbraw/zinc/50/20/05/823502005.db2.gz UUMOONSXILQIMU-GASCZTMLSA-N 1 2 381.451 4.169 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2O)C[C@H]1n1cc[nH+]c1 ZINC000123368074 823502206 /nfs/dbraw/zinc/50/22/06/823502206.db2.gz LGSSAMLQFHTHJW-OXJNMPFZSA-N 1 2 377.444 4.104 20 0 GIADLO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000123410204 823506647 /nfs/dbraw/zinc/50/66/47/823506647.db2.gz RWABENOKAPLZCI-PWSUYJOCSA-N 1 2 384.348 4.199 20 0 GIADLO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000123410204 823506650 /nfs/dbraw/zinc/50/66/50/823506650.db2.gz RWABENOKAPLZCI-PWSUYJOCSA-N 1 2 384.348 4.199 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)c1nnnn1C1CCCCC1 ZINC000189857567 823506806 /nfs/dbraw/zinc/50/68/06/823506806.db2.gz AECJVYNIILSQSK-STQMWFEESA-N 1 2 383.418 4.489 20 0 GIADLO C[C@H]1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123425733 823507933 /nfs/dbraw/zinc/50/79/33/823507933.db2.gz ACIBEOLWYOLSJN-YWZLYKJASA-N 1 2 380.879 4.322 20 0 GIADLO C[C@H](SCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000123430314 823508343 /nfs/dbraw/zinc/50/83/43/823508343.db2.gz MFHYHTKWXXVCTL-AWEZNQCLSA-N 1 2 377.473 4.182 20 0 GIADLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000177660680 823509662 /nfs/dbraw/zinc/50/96/62/823509662.db2.gz DPACPTAHNGQHDN-OAHLLOKOSA-N 1 2 376.545 4.129 20 0 GIADLO CN(C)c1cccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000031895769 820871532 /nfs/dbraw/zinc/87/15/32/820871532.db2.gz NYOIVGPELDTMRZ-LJQANCHMSA-N 1 2 389.902 4.112 20 0 GIADLO C[C@H](Oc1ccccc1)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895234 820871705 /nfs/dbraw/zinc/87/17/05/820871705.db2.gz CFMUOKRZNBYUFR-HNAYVOBHSA-N 1 2 390.886 4.200 20 0 GIADLO CCOc1ccccc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895745 820871776 /nfs/dbraw/zinc/87/17/76/820871776.db2.gz YATXGMGBKCCTKF-GOSISDBHSA-N 1 2 390.886 4.445 20 0 GIADLO COc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031896159 820872121 /nfs/dbraw/zinc/87/21/21/820872121.db2.gz KYFLUUYKCDSYNL-SFHVURJKSA-N 1 2 376.859 4.055 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000177724202 823517081 /nfs/dbraw/zinc/51/70/81/823517081.db2.gz ISRKURVGQGWFCC-VDBVYFBLSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000177724202 823517082 /nfs/dbraw/zinc/51/70/82/823517082.db2.gz ISRKURVGQGWFCC-VDBVYFBLSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000177724396 823517104 /nfs/dbraw/zinc/51/71/04/823517104.db2.gz QDUBTVOWXPJTFQ-CHAGWJKLSA-N 1 2 380.513 4.209 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000177724396 823517105 /nfs/dbraw/zinc/51/71/05/823517105.db2.gz QDUBTVOWXPJTFQ-CHAGWJKLSA-N 1 2 380.513 4.209 20 0 GIADLO O=C(c1ncoc1-c1ccccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000460809742 823518512 /nfs/dbraw/zinc/51/85/12/823518512.db2.gz OFRLRJLPRVUMQK-UHFFFAOYSA-N 1 2 387.892 4.015 20 0 GIADLO COCC[N@H+](CC(=O)Nc1ccccc1SC(F)F)Cc1ccccc1 ZINC000032773221 821006675 /nfs/dbraw/zinc/00/66/75/821006675.db2.gz BEKLDEYWBWCHJX-UHFFFAOYSA-N 1 2 380.460 4.088 20 0 GIADLO COCC[N@@H+](CC(=O)Nc1ccccc1SC(F)F)Cc1ccccc1 ZINC000032773221 821006682 /nfs/dbraw/zinc/00/66/82/821006682.db2.gz BEKLDEYWBWCHJX-UHFFFAOYSA-N 1 2 380.460 4.088 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1C ZINC000060442342 823528371 /nfs/dbraw/zinc/52/83/71/823528371.db2.gz KSHNYDVKZMSXCX-UHFFFAOYSA-N 1 2 377.488 4.323 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cnn(CCC(C)C)c1C ZINC000123611778 823525575 /nfs/dbraw/zinc/52/55/75/823525575.db2.gz RSMBTOWGQJCOIV-UHFFFAOYSA-N 1 2 397.567 4.011 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cccc4ccn(C)c43)CC2)cc1 ZINC000190050370 823530701 /nfs/dbraw/zinc/53/07/01/823530701.db2.gz ONQCGRYDPHJZIW-UHFFFAOYSA-N 1 2 391.519 4.035 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483766 823533343 /nfs/dbraw/zinc/53/33/43/823533343.db2.gz FHTQQZPGZZZLMY-UHFFFAOYSA-N 1 2 384.907 4.490 20 0 GIADLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(OC(F)(F)F)c1 ZINC000177848078 823535749 /nfs/dbraw/zinc/53/57/49/823535749.db2.gz GVJXQHJAMLIPHT-ZQIUZPCESA-N 1 2 396.413 4.135 20 0 GIADLO Cc1c(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)[nH]c2c1C(=O)CCC2 ZINC000041400371 821188758 /nfs/dbraw/zinc/18/87/58/821188758.db2.gz MDKLEWOWYKASNW-SFHVURJKSA-N 1 2 399.922 4.062 20 0 GIADLO Cc1ccc(SCc2cccc(C(=O)N[C@H](C)C[NH+]3CCOCC3)c2)c(C)c1 ZINC000060531215 823538914 /nfs/dbraw/zinc/53/89/14/823538914.db2.gz SJFXIGVGZQMBFL-LJQANCHMSA-N 1 2 398.572 4.046 20 0 GIADLO COc1cc(-c2ccccc2)sc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123773381 823539494 /nfs/dbraw/zinc/53/94/94/823539494.db2.gz OQKOALBIIZHVGA-DOTOQJQBSA-N 1 2 381.501 4.344 20 0 GIADLO CC[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(C)cc1 ZINC000060551139 823541294 /nfs/dbraw/zinc/54/12/94/823541294.db2.gz RLDGLXFHWZRNJC-NRFANRHFSA-N 1 2 390.487 4.101 20 0 GIADLO CC[C@@H]1CCC[N@H+](Cn2nc(COc3ccccc3Cl)n(C)c2=S)C1 ZINC000042095315 821264720 /nfs/dbraw/zinc/26/47/20/821264720.db2.gz DHLPTRJPCVLWCE-CQSZACIVSA-N 1 2 380.945 4.263 20 0 GIADLO CC[C@@H]1CCC[N@@H+](Cn2nc(COc3ccccc3Cl)n(C)c2=S)C1 ZINC000042095315 821264730 /nfs/dbraw/zinc/26/47/30/821264730.db2.gz DHLPTRJPCVLWCE-CQSZACIVSA-N 1 2 380.945 4.263 20 0 GIADLO CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H](C)Cc1ccsc1 ZINC000190122525 823540243 /nfs/dbraw/zinc/54/02/43/823540243.db2.gz GNZHKAFXANJVTN-KRWDZBQOSA-N 1 2 386.565 4.296 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000042329343 821301184 /nfs/dbraw/zinc/30/11/84/821301184.db2.gz QQJWQIRHHLPLGM-MRXNPFEDSA-N 1 2 384.520 4.288 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000042329343 821301192 /nfs/dbraw/zinc/30/11/92/821301192.db2.gz QQJWQIRHHLPLGM-MRXNPFEDSA-N 1 2 384.520 4.288 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)c3ccc(F)c(F)c3)cn2c1 ZINC000042382393 821305644 /nfs/dbraw/zinc/30/56/44/821305644.db2.gz AIZQGIJFZJDKCV-CYBMUJFWSA-N 1 2 375.444 4.032 20 0 GIADLO CC[C@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)c1ccccc1OC ZINC000042481070 821308259 /nfs/dbraw/zinc/30/82/59/821308259.db2.gz ZPRPMBMAYXFXMX-SFHVURJKSA-N 1 2 383.517 4.152 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccccc2Cl)C[C@@H](C)O1 ZINC000042931683 821346526 /nfs/dbraw/zinc/34/65/26/821346526.db2.gz MBJGMMINTLIMAR-HZPDHXFCSA-N 1 2 387.911 4.271 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccccc2Cl)C[C@H](C)O1 ZINC000042931681 821346561 /nfs/dbraw/zinc/34/65/61/821346561.db2.gz MBJGMMINTLIMAR-HOTGVXAUSA-N 1 2 387.911 4.271 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3c(C)cccc3CC)CC2)cc1 ZINC000043156088 821369438 /nfs/dbraw/zinc/36/94/38/821369438.db2.gz YMQLFYACOREELG-UHFFFAOYSA-N 1 2 381.520 4.306 20 0 GIADLO CC[C@@H]([NH2+][C@H](C)c1nc(Cc2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000180647262 821380933 /nfs/dbraw/zinc/38/09/33/821380933.db2.gz KUFSTJAJBIWHBR-CRAIPNDOSA-N 1 2 379.460 4.234 20 0 GIADLO CCOc1cccc([C@H](C)[NH2+]Cc2nc(-c3cc(F)c(F)c(F)c3)no2)c1 ZINC000180668191 821388650 /nfs/dbraw/zinc/38/86/50/821388650.db2.gz UJWJFDMUFLHLCV-NSHDSACASA-N 1 2 377.366 4.403 20 0 GIADLO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000043441292 821407479 /nfs/dbraw/zinc/40/74/79/821407479.db2.gz GDTUNCWSILLSOH-UHFFFAOYSA-N 1 2 399.926 4.079 20 0 GIADLO CCOc1cccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(Br)o3)o2)c1 ZINC000180714677 821413329 /nfs/dbraw/zinc/41/33/29/821413329.db2.gz WLCFPLVYGBPHHW-NSHDSACASA-N 1 2 392.253 4.342 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)NCC3(c4ccccc4)CCC3)cn2c1 ZINC000043507840 821420649 /nfs/dbraw/zinc/42/06/49/821420649.db2.gz BXTWEEIZNHCIMF-UHFFFAOYSA-N 1 2 379.529 4.114 20 0 GIADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180734636 821423697 /nfs/dbraw/zinc/42/36/97/821423697.db2.gz YQQNSQIRSIWZDN-QHCPKHFHSA-N 1 2 393.531 4.199 20 0 GIADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180734636 821423700 /nfs/dbraw/zinc/42/37/00/821423700.db2.gz YQQNSQIRSIWZDN-QHCPKHFHSA-N 1 2 393.531 4.199 20 0 GIADLO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1OC ZINC000180775912 821449686 /nfs/dbraw/zinc/44/96/86/821449686.db2.gz JKLYVURSCTWIOV-GOSISDBHSA-N 1 2 381.394 4.296 20 0 GIADLO COc1cccc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1OC ZINC000180775912 821449692 /nfs/dbraw/zinc/44/96/92/821449692.db2.gz JKLYVURSCTWIOV-GOSISDBHSA-N 1 2 381.394 4.296 20 0 GIADLO O=C(NCCn1cc[nH+]c1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000043947927 821493159 /nfs/dbraw/zinc/49/31/59/821493159.db2.gz IXLWUIJBGKZVOM-UHFFFAOYSA-N 1 2 382.876 4.243 20 0 GIADLO O=C(Nc1ccccc1OCC(F)(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043959160 821495204 /nfs/dbraw/zinc/49/52/04/821495204.db2.gz ASDSBNCLGOUCEU-UHFFFAOYSA-N 1 2 399.438 4.039 20 0 GIADLO CCCOc1cccc(NC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000044204768 821545972 /nfs/dbraw/zinc/54/59/72/821545972.db2.gz DPFMHUYYCDDWGX-UHFFFAOYSA-N 1 2 397.523 4.051 20 0 GIADLO CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000181040769 821607820 /nfs/dbraw/zinc/60/78/20/821607820.db2.gz UZYIQCDOSMAFGC-IERDGZPVSA-N 1 2 386.455 4.347 20 0 GIADLO CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044567908 821610152 /nfs/dbraw/zinc/61/01/52/821610152.db2.gz MILLAMVIGMDKEO-UHFFFAOYSA-N 1 2 398.507 4.130 20 0 GIADLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(Cl)cn2)c2ccccc2)c1 ZINC000181062444 821615030 /nfs/dbraw/zinc/61/50/30/821615030.db2.gz ADOCBNOKSMVCMJ-HXUWFJFHSA-N 1 2 386.904 4.018 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000181067378 821616964 /nfs/dbraw/zinc/61/69/64/821616964.db2.gz ODPJVERLRPBTSN-UHFFFAOYSA-N 1 2 397.567 4.017 20 0 GIADLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)C[C@@H]1n1cc[nH+]c1 ZINC000181082691 821623988 /nfs/dbraw/zinc/62/39/88/821623988.db2.gz OULXJRWJEIMQSY-OLMNPRSZSA-N 1 2 388.899 4.043 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181147536 821663666 /nfs/dbraw/zinc/66/36/66/821663666.db2.gz NKHWGBYGZUSZDP-UHFFFAOYSA-N 1 2 390.531 4.261 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)c2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181151383 821665529 /nfs/dbraw/zinc/66/55/29/821665529.db2.gz SRYLEIJNPHARRH-CVEARBPZSA-N 1 2 382.266 4.093 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)c2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181151383 821665538 /nfs/dbraw/zinc/66/55/38/821665538.db2.gz SRYLEIJNPHARRH-CVEARBPZSA-N 1 2 382.266 4.093 20 0 GIADLO CC[N@H+](C)[C@@H](C(=O)OC1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccccc1 ZINC000181157844 821670374 /nfs/dbraw/zinc/67/03/74/821670374.db2.gz XZLDSVIZGMXLPG-HSZRJFAPSA-N 1 2 394.515 4.094 20 0 GIADLO CC[N@@H+](C)[C@@H](C(=O)OC1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccccc1 ZINC000181157844 821670380 /nfs/dbraw/zinc/67/03/80/821670380.db2.gz XZLDSVIZGMXLPG-HSZRJFAPSA-N 1 2 394.515 4.094 20 0 GIADLO CCOc1ccc([C@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1OCC ZINC000044851880 821672293 /nfs/dbraw/zinc/67/22/93/821672293.db2.gz GIOBXUCYPVCJTL-KRWDZBQOSA-N 1 2 393.487 4.220 20 0 GIADLO COc1cc(NC(=O)C[N@H+](Cc2cccs2)C2CC2)c(OC)cc1Cl ZINC000044898208 821678349 /nfs/dbraw/zinc/67/83/49/821678349.db2.gz QETJVIFDNBJETG-UHFFFAOYSA-N 1 2 380.897 4.022 20 0 GIADLO COc1cc(NC(=O)C[N@@H+](Cc2cccs2)C2CC2)c(OC)cc1Cl ZINC000044898208 821678351 /nfs/dbraw/zinc/67/83/51/821678351.db2.gz QETJVIFDNBJETG-UHFFFAOYSA-N 1 2 380.897 4.022 20 0 GIADLO C[C@@H]([NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccoc1 ZINC000181193559 821689045 /nfs/dbraw/zinc/68/90/45/821689045.db2.gz GRTITVJZCADHSC-XCLFUZPHSA-N 1 2 391.439 4.402 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000181246363 821717310 /nfs/dbraw/zinc/71/73/10/821717310.db2.gz WYEWCZLGZFXBBS-UHFFFAOYSA-N 1 2 380.467 4.081 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1nnc(-c2ccccc2)o1 ZINC000181265817 821724320 /nfs/dbraw/zinc/72/43/20/821724320.db2.gz AZBNIZUBPCSGKP-LSDHHAIUSA-N 1 2 378.432 4.105 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)o2)cc1 ZINC000181285688 821735068 /nfs/dbraw/zinc/73/50/68/821735068.db2.gz RVVVBOMUXRJSBO-JKSUJKDBSA-N 1 2 392.459 4.413 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181291198 821738686 /nfs/dbraw/zinc/73/86/86/821738686.db2.gz ZPTMSCXVDXBYSW-ZDUSSCGKSA-N 1 2 398.850 4.197 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1nc(Cc2ccccc2)no1 ZINC000181295283 821740858 /nfs/dbraw/zinc/74/08/58/821740858.db2.gz JUXRPDHYJGRWNG-JKSUJKDBSA-N 1 2 392.459 4.029 20 0 GIADLO COc1ccc(-c2cnc(C[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)o2)cc1 ZINC000181303412 821744554 /nfs/dbraw/zinc/74/45/54/821744554.db2.gz QAHFREDNBKPIMY-HNNXBMFYSA-N 1 2 393.443 4.158 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000181308267 821747155 /nfs/dbraw/zinc/74/71/55/821747155.db2.gz FANUPQNVUYKJQV-QWHCGFSZSA-N 1 2 392.429 4.055 20 0 GIADLO Cc1sc2[nH]c(C[N@@H+]3[C@H](C)CCC[C@@H]3CO)nc(=O)c2c1-c1ccc(C)cc1 ZINC000181394087 821804629 /nfs/dbraw/zinc/80/46/29/821804629.db2.gz GTFFQXMFUFNYSJ-RHSMWYFYSA-N 1 2 397.544 4.004 20 0 GIADLO Cc1sc2[nH]c(C[N@H+]3[C@H](C)CCC[C@@H]3CO)nc(=O)c2c1-c1ccc(C)cc1 ZINC000181394087 821804643 /nfs/dbraw/zinc/80/46/43/821804643.db2.gz GTFFQXMFUFNYSJ-RHSMWYFYSA-N 1 2 397.544 4.004 20 0 GIADLO Cc1cc(-c2noc(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)n2)ccc1F ZINC000181395793 821805115 /nfs/dbraw/zinc/80/51/15/821805115.db2.gz UOFRIFCVZXNGDO-OAHLLOKOSA-N 1 2 394.450 4.162 20 0 GIADLO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc2cc(Br)ccc2o1 ZINC000181408859 821810065 /nfs/dbraw/zinc/81/00/65/821810065.db2.gz OTVFHSRWZOMFAR-LBPRGKRZSA-N 1 2 389.297 4.364 20 0 GIADLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4nnc(C5CC5)n4C4CC4)CC3)c2c1 ZINC000181443082 821828862 /nfs/dbraw/zinc/82/88/62/821828862.db2.gz GKLNNXNSDQYVNB-UHFFFAOYSA-N 1 2 389.503 4.270 20 0 GIADLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nnc(C5CC5)n4C4CC4)CC3)c2c1 ZINC000181443082 821828874 /nfs/dbraw/zinc/82/88/74/821828874.db2.gz GKLNNXNSDQYVNB-UHFFFAOYSA-N 1 2 389.503 4.270 20 0 GIADLO Cc1cccc(-c2nnc(COC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)o2)c1 ZINC000181675013 821938584 /nfs/dbraw/zinc/93/85/84/821938584.db2.gz IVGDUBWSBIYSSP-HXUWFJFHSA-N 1 2 391.471 4.143 20 0 GIADLO Cc1cccc(-c2nnc(COC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)o2)c1 ZINC000181675013 821938589 /nfs/dbraw/zinc/93/85/89/821938589.db2.gz IVGDUBWSBIYSSP-HXUWFJFHSA-N 1 2 391.471 4.143 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1cccc(N2CCCC2)c1 ZINC000181891167 822028140 /nfs/dbraw/zinc/02/81/40/822028140.db2.gz MCFFOTOOAGDISF-GOSISDBHSA-N 1 2 376.504 4.306 20 0 GIADLO COCc1noc([C@H](C)[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000181981048 822052252 /nfs/dbraw/zinc/05/22/52/822052252.db2.gz RHPIEBVZWVDACM-AAEUAGOBSA-N 1 2 386.279 4.127 20 0 GIADLO COCc1noc([C@H](C)[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000181981048 822052259 /nfs/dbraw/zinc/05/22/59/822052259.db2.gz RHPIEBVZWVDACM-AAEUAGOBSA-N 1 2 386.279 4.127 20 0 GIADLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2Cl)o1)c1ccc(S(C)(=O)=O)cc1 ZINC000182187864 822138879 /nfs/dbraw/zinc/13/88/79/822138879.db2.gz UOJSTTVBTNLDHA-CYBMUJFWSA-N 1 2 390.892 4.249 20 0 GIADLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)S(C)(=O)=O ZINC000182193038 822140204 /nfs/dbraw/zinc/14/02/04/822140204.db2.gz MUZUAXFOCBMBPX-QWHCGFSZSA-N 1 2 389.439 4.219 20 0 GIADLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)S(C)(=O)=O ZINC000182193038 822140206 /nfs/dbraw/zinc/14/02/06/822140206.db2.gz MUZUAXFOCBMBPX-QWHCGFSZSA-N 1 2 389.439 4.219 20 0 GIADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000182193075 822140236 /nfs/dbraw/zinc/14/02/36/822140236.db2.gz MUZUAXFOCBMBPX-STQMWFEESA-N 1 2 389.439 4.219 20 0 GIADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000182193075 822140239 /nfs/dbraw/zinc/14/02/39/822140239.db2.gz MUZUAXFOCBMBPX-STQMWFEESA-N 1 2 389.439 4.219 20 0 GIADLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000182203367 822146097 /nfs/dbraw/zinc/14/60/97/822146097.db2.gz DZLFZMIKNNRFDH-MRXNPFEDSA-N 1 2 376.382 4.431 20 0 GIADLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000182203367 822146103 /nfs/dbraw/zinc/14/61/03/822146103.db2.gz DZLFZMIKNNRFDH-MRXNPFEDSA-N 1 2 376.382 4.431 20 0 GIADLO Cc1noc([C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C(C)C)n1 ZINC000182207588 822146988 /nfs/dbraw/zinc/14/69/88/822146988.db2.gz AKFRILNIPRXXHD-LJQANCHMSA-N 1 2 381.524 4.407 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc2c(c1)OCO2 ZINC000182264151 822177355 /nfs/dbraw/zinc/17/73/55/822177355.db2.gz KQYRJMGKAUPSRO-LLVKDONJSA-N 1 2 391.349 4.335 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[NH2+]C(C)(C)c3ccccc3OC)co2)cc1 ZINC000182332627 822205060 /nfs/dbraw/zinc/20/50/60/822205060.db2.gz CJTCYRGHGMEMSC-UHFFFAOYSA-N 1 2 380.444 4.162 20 0 GIADLO COc1ccc([C@H](CCO)[NH2+]Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000182376708 822220810 /nfs/dbraw/zinc/22/08/10/822220810.db2.gz VOYHHFKSPRSJSN-FQEVSTJZSA-N 1 2 381.476 4.082 20 0 GIADLO O=C(NC[C@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)C1)c1ccccc1 ZINC000182401225 822230701 /nfs/dbraw/zinc/23/07/01/822230701.db2.gz AHZDPHVJUFUFQS-CQSZACIVSA-N 1 2 378.303 4.030 20 0 GIADLO O=C(NC[C@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)C1)c1ccccc1 ZINC000182401225 822230704 /nfs/dbraw/zinc/23/07/04/822230704.db2.gz AHZDPHVJUFUFQS-CQSZACIVSA-N 1 2 378.303 4.030 20 0 GIADLO COc1ccc([C@@H](CCO)[NH2+]Cc2nc3cc(C(F)(F)F)ccc3o2)cc1 ZINC000182414432 822234781 /nfs/dbraw/zinc/23/47/81/822234781.db2.gz CBFIBGMFQKTWBD-OAHLLOKOSA-N 1 2 380.366 4.069 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)c3cc(F)ccc3OC)co2)cc1 ZINC000182426864 822239666 /nfs/dbraw/zinc/23/96/66/822239666.db2.gz MHOIIODIDDTQLL-CYBMUJFWSA-N 1 2 384.407 4.127 20 0 GIADLO CC(=O)c1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000182486799 822262520 /nfs/dbraw/zinc/26/25/20/822262520.db2.gz LPWAUQOESBBVLP-UHFFFAOYSA-N 1 2 386.814 4.189 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000182520417 822280346 /nfs/dbraw/zinc/28/03/46/822280346.db2.gz AWLOZSDLXMZQTA-AWEZNQCLSA-N 1 2 391.397 4.029 20 0 GIADLO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182545315 822294506 /nfs/dbraw/zinc/29/45/06/822294506.db2.gz CSBZPRYBOLVXAQ-CRAIPNDOSA-N 1 2 378.501 4.168 20 0 GIADLO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182545315 822294509 /nfs/dbraw/zinc/29/45/09/822294509.db2.gz CSBZPRYBOLVXAQ-CRAIPNDOSA-N 1 2 378.501 4.168 20 0 GIADLO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000182558677 822301872 /nfs/dbraw/zinc/30/18/72/822301872.db2.gz UEFVSZFFWMSBBG-HXUWFJFHSA-N 1 2 392.507 4.039 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1F ZINC000182593173 822315700 /nfs/dbraw/zinc/31/57/00/822315700.db2.gz OZZLIJFTXWZMLV-GOSISDBHSA-N 1 2 396.384 4.247 20 0 GIADLO O=C(CC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1F ZINC000182593173 822315708 /nfs/dbraw/zinc/31/57/08/822315708.db2.gz OZZLIJFTXWZMLV-GOSISDBHSA-N 1 2 396.384 4.247 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000178108129 822322425 /nfs/dbraw/zinc/32/24/25/822322425.db2.gz STSUFTFXFUOEMM-UHFFFAOYSA-N 1 2 375.476 4.131 20 0 GIADLO O=C(Nc1ccc2c(c1)CCCO2)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178146486 822332754 /nfs/dbraw/zinc/33/27/54/822332754.db2.gz LROJENDVIVDBLR-RBBKRZOGSA-N 1 2 388.471 4.258 20 0 GIADLO CCc1nc2c(s1)[C@H]([N@H+](C)CN1C[C@H](c3ccccc3F)CC1=O)CCC2 ZINC000182699164 822354389 /nfs/dbraw/zinc/35/43/89/822354389.db2.gz DQIHSZMGADBUFK-RDTXWAMCSA-N 1 2 387.524 4.127 20 0 GIADLO CCc1nc2c(s1)[C@H]([N@@H+](C)CN1C[C@H](c3ccccc3F)CC1=O)CCC2 ZINC000182699164 822354398 /nfs/dbraw/zinc/35/43/98/822354398.db2.gz DQIHSZMGADBUFK-RDTXWAMCSA-N 1 2 387.524 4.127 20 0 GIADLO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178222932 822355902 /nfs/dbraw/zinc/35/59/02/822355902.db2.gz QSRSJFMIJKTHEJ-KRWDZBQOSA-N 1 2 377.492 4.343 20 0 GIADLO O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045034456 822358487 /nfs/dbraw/zinc/35/84/87/822358487.db2.gz JPUYKKWNBBTQGK-UHFFFAOYSA-N 1 2 392.459 4.370 20 0 GIADLO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCCn1cc[nH+]c1 ZINC000045052473 822359843 /nfs/dbraw/zinc/35/98/43/822359843.db2.gz BGRJIQKGRJELEO-UHFFFAOYSA-N 1 2 384.483 4.156 20 0 GIADLO COc1ccc([C@H]([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)c2ccco2)cc1 ZINC000453423585 822360846 /nfs/dbraw/zinc/36/08/46/822360846.db2.gz XSOHTGLROXZXFN-QRQCRPRQSA-N 1 2 376.460 4.388 20 0 GIADLO CCOc1cccc2cc([C@@H](C)NC(=O)NCCCNc3cccc[nH+]3)oc21 ZINC000045132776 822364914 /nfs/dbraw/zinc/36/49/14/822364914.db2.gz HBVNSZJZTFSJBZ-OAHLLOKOSA-N 1 2 382.464 4.089 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3nc(-c4ccccn4)n(C)c3=S)C2)c1 ZINC000182794516 822368530 /nfs/dbraw/zinc/36/85/30/822368530.db2.gz WZTDILDSEQSRDE-KRWDZBQOSA-N 1 2 379.533 4.077 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cn3nc(-c4ccccn4)n(C)c3=S)C2)c1 ZINC000182794516 822368534 /nfs/dbraw/zinc/36/85/34/822368534.db2.gz WZTDILDSEQSRDE-KRWDZBQOSA-N 1 2 379.533 4.077 20 0 GIADLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000178337267 822368753 /nfs/dbraw/zinc/36/87/53/822368753.db2.gz ZGRIXNXNFLTFDR-UHFFFAOYSA-N 1 2 390.430 4.071 20 0 GIADLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000178337267 822368757 /nfs/dbraw/zinc/36/87/57/822368757.db2.gz ZGRIXNXNFLTFDR-UHFFFAOYSA-N 1 2 390.430 4.071 20 0 GIADLO CCOCCCNC(=O)c1cccc(N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000182802291 822370017 /nfs/dbraw/zinc/37/00/17/822370017.db2.gz KIBNUFBLVFYSGO-GOSISDBHSA-N 1 2 392.503 4.202 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3cc(-c4cccs4)on3)C2)n1 ZINC000182806663 822370912 /nfs/dbraw/zinc/37/09/12/822370912.db2.gz IBXAGEJDWRZTGA-CYBMUJFWSA-N 1 2 382.411 4.456 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3cc(-c4cccs4)on3)C2)n1 ZINC000182806663 822370918 /nfs/dbraw/zinc/37/09/18/822370918.db2.gz IBXAGEJDWRZTGA-CYBMUJFWSA-N 1 2 382.411 4.456 20 0 GIADLO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178370404 822372240 /nfs/dbraw/zinc/37/22/40/822372240.db2.gz UWXRJHSZPOVHAM-CYBMUJFWSA-N 1 2 396.903 4.333 20 0 GIADLO CC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@H](C)c1cccc(O)c1 ZINC000178372316 822372396 /nfs/dbraw/zinc/37/23/96/822372396.db2.gz MXEQADJUYZGACA-CQSZACIVSA-N 1 2 383.448 4.043 20 0 GIADLO CC[N@@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@H](C)c1cccc(O)c1 ZINC000178372316 822372399 /nfs/dbraw/zinc/37/23/99/822372399.db2.gz MXEQADJUYZGACA-CQSZACIVSA-N 1 2 383.448 4.043 20 0 GIADLO C[C@H](Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(-n2cnnn2)cc1 ZINC000182882506 822385450 /nfs/dbraw/zinc/38/54/50/822385450.db2.gz KOXOAXBZJRHAJR-INIZCTEOSA-N 1 2 385.475 4.035 20 0 GIADLO Cc1cc(Br)c(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)s1 ZINC000453566514 822385501 /nfs/dbraw/zinc/38/55/01/822385501.db2.gz SNXFAGMKXHEJAY-UHFFFAOYSA-N 1 2 399.379 4.229 20 0 GIADLO Cc1cc(Br)c(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)s1 ZINC000453566514 822385504 /nfs/dbraw/zinc/38/55/04/822385504.db2.gz SNXFAGMKXHEJAY-UHFFFAOYSA-N 1 2 399.379 4.229 20 0 GIADLO CC(C)Oc1ccc([C@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000045490853 822390245 /nfs/dbraw/zinc/39/02/45/822390245.db2.gz YEJOLDHZOFISHZ-KRWDZBQOSA-N 1 2 382.508 4.029 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C(F)(F)F)nc1Cl ZINC000178548397 822390806 /nfs/dbraw/zinc/39/08/06/822390806.db2.gz PDDYEOHTEUIOPN-UHFFFAOYSA-N 1 2 398.747 4.009 20 0 GIADLO CCCn1nc(C)c(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)c1C ZINC000453605074 822391664 /nfs/dbraw/zinc/39/16/64/822391664.db2.gz AZEAKBCIENYUST-SFHVURJKSA-N 1 2 377.330 4.405 20 0 GIADLO CCCn1nc(C)c(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)c1C ZINC000453605074 822391667 /nfs/dbraw/zinc/39/16/67/822391667.db2.gz AZEAKBCIENYUST-SFHVURJKSA-N 1 2 377.330 4.405 20 0 GIADLO COCCOc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000453614279 822393278 /nfs/dbraw/zinc/39/32/78/822393278.db2.gz PKHYYLWWTVISTG-SFHVURJKSA-N 1 2 391.309 4.206 20 0 GIADLO COCCOc1ccccc1C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000453614279 822393283 /nfs/dbraw/zinc/39/32/83/822393283.db2.gz PKHYYLWWTVISTG-SFHVURJKSA-N 1 2 391.309 4.206 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC(c2ccccc2)CC1 ZINC000045531949 822393926 /nfs/dbraw/zinc/39/39/26/822393926.db2.gz OSPOPOJKQGKCDG-UHFFFAOYSA-N 1 2 388.515 4.063 20 0 GIADLO CC[C@H]1c2ccsc2CCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532155 822394136 /nfs/dbraw/zinc/39/41/36/822394136.db2.gz ZIZMQZUALKCTEH-IBGZPJMESA-N 1 2 394.544 4.254 20 0 GIADLO COc1cccc([C@H](O)C[N@H+](Cc2ccn(C(C)C)n2)Cc2ccccc2)c1 ZINC000178618864 822396764 /nfs/dbraw/zinc/39/67/64/822396764.db2.gz OVIILLGZQIDZGT-HSZRJFAPSA-N 1 2 379.504 4.208 20 0 GIADLO COc1cccc([C@H](O)C[N@@H+](Cc2ccn(C(C)C)n2)Cc2ccccc2)c1 ZINC000178618864 822396769 /nfs/dbraw/zinc/39/67/69/822396769.db2.gz OVIILLGZQIDZGT-HSZRJFAPSA-N 1 2 379.504 4.208 20 0 GIADLO CCOC(=O)N1CCC[N@@H+]([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000178629906 822397647 /nfs/dbraw/zinc/39/76/47/822397647.db2.gz GNRSXFQAXLTWNL-CQSZACIVSA-N 1 2 377.872 4.220 20 0 GIADLO CCOC(=O)N1CCC[N@H+]([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000178629906 822397651 /nfs/dbraw/zinc/39/76/51/822397651.db2.gz GNRSXFQAXLTWNL-CQSZACIVSA-N 1 2 377.872 4.220 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCc1ccc(Cl)cc1Cl ZINC000045605862 822399302 /nfs/dbraw/zinc/39/93/02/822399302.db2.gz PWLSDXJBKFUBPM-UHFFFAOYSA-N 1 2 389.286 4.238 20 0 GIADLO CCCOc1ccc([C@@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1OC ZINC000045815103 822415892 /nfs/dbraw/zinc/41/58/92/822415892.db2.gz UIBPJOAMMSTDOS-QGZVFWFLSA-N 1 2 393.487 4.220 20 0 GIADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860122 822419362 /nfs/dbraw/zinc/41/93/62/822419362.db2.gz MXVYLQWFVFNXRY-CYBMUJFWSA-N 1 2 386.249 4.041 20 0 GIADLO CCOc1cccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000045883445 822421504 /nfs/dbraw/zinc/42/15/04/822421504.db2.gz MIEUPSHQWPCYGW-QZTJIDSGSA-N 1 2 397.519 4.016 20 0 GIADLO Cc1cc(C)c(CNC(=O)C(=O)Nc2cc(Cl)ccc2SC(C)C)c[nH+]1 ZINC000454036288 822424191 /nfs/dbraw/zinc/42/41/91/822424191.db2.gz SCPOHUTXNLUOJZ-UHFFFAOYSA-N 1 2 391.924 4.107 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2ncnn2CC(C)C)ccc1OCc1ccccc1 ZINC000183100353 822424431 /nfs/dbraw/zinc/42/44/31/822424431.db2.gz SKNQASLQPWPITJ-SFHVURJKSA-N 1 2 394.519 4.373 20 0 GIADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1cccc(N(C)C)n1 ZINC000179032259 822431575 /nfs/dbraw/zinc/43/15/75/822431575.db2.gz MPAGACOXCOCZFN-UHFFFAOYSA-N 1 2 397.954 4.459 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cnc4ccc(F)cc4c3)n2)C1 ZINC000179070602 822435197 /nfs/dbraw/zinc/43/51/97/822435197.db2.gz VVZBBGLCJADSKX-ZDUSSCGKSA-N 1 2 384.480 4.315 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cnc4ccc(F)cc4c3)n2)C1 ZINC000179070602 822435199 /nfs/dbraw/zinc/43/51/99/822435199.db2.gz VVZBBGLCJADSKX-ZDUSSCGKSA-N 1 2 384.480 4.315 20 0 GIADLO CC(C)N(C)c1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000046019377 822435309 /nfs/dbraw/zinc/43/53/09/822435309.db2.gz OZLMRYXBDJIIIS-UHFFFAOYSA-N 1 2 395.482 4.237 20 0 GIADLO CN(Cc1cccc2ccccc21)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019291 822435319 /nfs/dbraw/zinc/43/53/19/822435319.db2.gz OHOJECYBSNCBAA-UHFFFAOYSA-N 1 2 384.483 4.426 20 0 GIADLO CN(Cc1c(F)cccc1Cl)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019236 822435346 /nfs/dbraw/zinc/43/53/46/822435346.db2.gz XVLCCKODCFXWAJ-UHFFFAOYSA-N 1 2 386.858 4.066 20 0 GIADLO CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H](C)c1cccc(OC)c1 ZINC000046019526 822435630 /nfs/dbraw/zinc/43/56/30/822435630.db2.gz VRHJCYNITZQEQD-GOSISDBHSA-N 1 2 392.503 4.233 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCCCC[C@H]1c1ccncc1 ZINC000046019563 822435637 /nfs/dbraw/zinc/43/56/37/822435637.db2.gz LMYZCVCKMLNDIE-QFIPXVFZSA-N 1 2 389.503 4.153 20 0 GIADLO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)c1ccccc1Cl ZINC000046057285 822438389 /nfs/dbraw/zinc/43/83/89/822438389.db2.gz SDCDLZAWWVWSKA-HNNXBMFYSA-N 1 2 387.694 4.251 20 0 GIADLO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)c1ccccc1Cl ZINC000046057285 822438392 /nfs/dbraw/zinc/43/83/92/822438392.db2.gz SDCDLZAWWVWSKA-HNNXBMFYSA-N 1 2 387.694 4.251 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1(c2ccc(Br)cc2)CC1 ZINC000046105735 822441516 /nfs/dbraw/zinc/44/15/16/822441516.db2.gz KNMKHOMAABQUNF-UHFFFAOYSA-N 1 2 382.261 4.305 20 0 GIADLO O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105738 822441558 /nfs/dbraw/zinc/44/15/58/822441558.db2.gz XSCHYBXWVTYDTQ-UHFFFAOYSA-N 1 2 378.379 4.017 20 0 GIADLO O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046106059 822441563 /nfs/dbraw/zinc/44/15/63/822441563.db2.gz PCLURGXUNKVRCU-UHFFFAOYSA-N 1 2 378.432 4.316 20 0 GIADLO Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046118620 822442048 /nfs/dbraw/zinc/44/20/48/822442048.db2.gz WBWWBVYLICHEKH-UHFFFAOYSA-N 1 2 392.440 4.340 20 0 GIADLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000046171318 822446736 /nfs/dbraw/zinc/44/67/36/822446736.db2.gz DSEQRSQZAZDUBZ-UHFFFAOYSA-N 1 2 388.867 4.093 20 0 GIADLO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000046171318 822446739 /nfs/dbraw/zinc/44/67/39/822446739.db2.gz DSEQRSQZAZDUBZ-UHFFFAOYSA-N 1 2 388.867 4.093 20 0 GIADLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(F)cc1Cl ZINC000454274675 822448115 /nfs/dbraw/zinc/44/81/15/822448115.db2.gz JVACVGYJRDVOFB-AWEZNQCLSA-N 1 2 390.890 4.425 20 0 GIADLO COc1ccc(C[NH2+][C@@H](C)c2ncc(Br)s2)cc1OC(F)F ZINC000179198985 822449750 /nfs/dbraw/zinc/44/97/50/822449750.db2.gz XWNXTCRRYDOLCV-QMMMGPOBSA-N 1 2 393.253 4.366 20 0 GIADLO COc1cc2c(cc1C[NH2+][C@@H](C)c1ncc(Br)s1)O[C@H](C)C2 ZINC000179200672 822450036 /nfs/dbraw/zinc/45/00/36/822450036.db2.gz VOBHYKBTUGOTTA-ZJUUUORDSA-N 1 2 383.311 4.088 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ncc(Br)s1 ZINC000179206070 822451012 /nfs/dbraw/zinc/45/10/12/822451012.db2.gz HFOHMTGUILMFTD-CYBMUJFWSA-N 1 2 395.370 4.388 20 0 GIADLO Cc1cccnc1NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000046226207 822452348 /nfs/dbraw/zinc/45/23/48/822452348.db2.gz PIWVITMURIJIGW-INIZCTEOSA-N 1 2 376.863 4.141 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)no2)C[C@@H](C)O1 ZINC000046341040 822462959 /nfs/dbraw/zinc/46/29/59/822462959.db2.gz GQASILFZUDMJSZ-IAGOWNOFSA-N 1 2 391.471 4.203 20 0 GIADLO Cc1cccc(OCCC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000046345032 822464067 /nfs/dbraw/zinc/46/40/67/822464067.db2.gz OXZVLRPYPFCKKW-KDURUIRLSA-N 1 2 396.531 4.320 20 0 GIADLO Cc1cccc(OCCC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000046345032 822464070 /nfs/dbraw/zinc/46/40/70/822464070.db2.gz OXZVLRPYPFCKKW-KDURUIRLSA-N 1 2 396.531 4.320 20 0 GIADLO Cc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000046345030 822464193 /nfs/dbraw/zinc/46/41/93/822464193.db2.gz AIRZDEXZLYSROZ-IRXDYDNUSA-N 1 2 391.515 4.267 20 0 GIADLO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cn3)cn2)n1 ZINC000183369590 822464808 /nfs/dbraw/zinc/46/48/08/822464808.db2.gz FJSPNCXPZBYVJO-HSZRJFAPSA-N 1 2 387.462 4.297 20 0 GIADLO CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000179416993 822479547 /nfs/dbraw/zinc/47/95/47/822479547.db2.gz DVDLSLHIXULJMB-ZWKOTPCHSA-N 1 2 379.476 4.003 20 0 GIADLO CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000179416993 822479549 /nfs/dbraw/zinc/47/95/49/822479549.db2.gz DVDLSLHIXULJMB-ZWKOTPCHSA-N 1 2 379.476 4.003 20 0 GIADLO O=C(Cc1ccc(NCc2cccc3[nH+]ccn32)cc1)N1CCCc2ccccc21 ZINC000179430121 822481458 /nfs/dbraw/zinc/48/14/58/822481458.db2.gz MJTXNZKWEWJXBL-UHFFFAOYSA-N 1 2 396.494 4.468 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC(C)(CC(F)(F)F)C2)C[C@@H](C)O1 ZINC000454510013 822487544 /nfs/dbraw/zinc/48/75/44/822487544.db2.gz NSAMXDXVKHTGEP-HUUCEWRRSA-N 1 2 399.457 4.102 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CC(C)(CC(F)(F)F)C2)C[C@H](C)O1 ZINC000454510012 822487591 /nfs/dbraw/zinc/48/75/91/822487591.db2.gz NSAMXDXVKHTGEP-GJZGRUSLSA-N 1 2 399.457 4.102 20 0 GIADLO COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccccn1 ZINC000179482359 822489285 /nfs/dbraw/zinc/48/92/85/822489285.db2.gz MNNQKNZKLQIZKO-HJPURHCSSA-N 1 2 376.456 4.302 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000183533428 822491243 /nfs/dbraw/zinc/49/12/43/822491243.db2.gz WLYBAWVBFPTHQJ-SUMWQHHRSA-N 1 2 392.450 4.454 20 0 GIADLO O=C(CSc1cc(Cl)ccc1Cl)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046616885 822493297 /nfs/dbraw/zinc/49/32/97/822493297.db2.gz HZPQPUOCIWQJEL-UHFFFAOYSA-N 1 2 396.343 4.266 20 0 GIADLO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046618028 822493587 /nfs/dbraw/zinc/49/35/87/822493587.db2.gz STLOXTUHOJXKSU-AWEZNQCLSA-N 1 2 375.925 4.001 20 0 GIADLO Cc1cccc([C@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c2ccccn2)c1 ZINC000179534620 822498875 /nfs/dbraw/zinc/49/88/75/822498875.db2.gz RPUQDSZHRVPUIC-ZHRRBRCNSA-N 1 2 398.503 4.373 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OC(F)F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179544095 822500325 /nfs/dbraw/zinc/50/03/25/822500325.db2.gz JWKDZQDZGIOPSI-IRXDYDNUSA-N 1 2 397.372 4.133 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(OC(F)F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179544095 822500328 /nfs/dbraw/zinc/50/03/28/822500328.db2.gz JWKDZQDZGIOPSI-IRXDYDNUSA-N 1 2 397.372 4.133 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000183628776 822503490 /nfs/dbraw/zinc/50/34/90/822503490.db2.gz BZBKSNXFECGVEY-QGZVFWFLSA-N 1 2 384.549 4.259 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC1(c2ccc(F)cc2F)CCC1 ZINC000179564623 822504308 /nfs/dbraw/zinc/50/43/08/822504308.db2.gz MDAHYHPBQVJXLP-UHFFFAOYSA-N 1 2 396.441 4.088 20 0 GIADLO CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1cccc2nccn21 ZINC000179585096 822507185 /nfs/dbraw/zinc/50/71/85/822507185.db2.gz GXSHLWWAQYWGRZ-UHFFFAOYSA-N 1 2 381.867 4.450 20 0 GIADLO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1cccc2nccn21 ZINC000179585096 822507187 /nfs/dbraw/zinc/50/71/87/822507187.db2.gz GXSHLWWAQYWGRZ-UHFFFAOYSA-N 1 2 381.867 4.450 20 0 GIADLO CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1cccc2[nH+]ccn21 ZINC000179585096 822507190 /nfs/dbraw/zinc/50/71/90/822507190.db2.gz GXSHLWWAQYWGRZ-UHFFFAOYSA-N 1 2 381.867 4.450 20 0 GIADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000046721047 822509817 /nfs/dbraw/zinc/50/98/17/822509817.db2.gz OURZUARGFBJHMX-KGLIPLIRSA-N 1 2 384.867 4.083 20 0 GIADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000046721047 822509820 /nfs/dbraw/zinc/50/98/20/822509820.db2.gz OURZUARGFBJHMX-KGLIPLIRSA-N 1 2 384.867 4.083 20 0 GIADLO COc1cc(C)c([C@H](C)[NH2+]Cc2nc(-c3ccc(F)c(C)c3)no2)cc1OC ZINC000179618334 822513790 /nfs/dbraw/zinc/51/37/90/822513790.db2.gz LONINVDPWFDWIA-AWEZNQCLSA-N 1 2 385.439 4.361 20 0 GIADLO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnn2ccccc12 ZINC000179650856 822519905 /nfs/dbraw/zinc/51/99/05/822519905.db2.gz DMHZTWGAZCBRSP-UHFFFAOYSA-N 1 2 390.409 4.202 20 0 GIADLO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnn2ccccc12 ZINC000179650856 822519907 /nfs/dbraw/zinc/51/99/07/822519907.db2.gz DMHZTWGAZCBRSP-UHFFFAOYSA-N 1 2 390.409 4.202 20 0 GIADLO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC000179675554 822524691 /nfs/dbraw/zinc/52/46/91/822524691.db2.gz VDOPIHUEUBVNIB-HXUWFJFHSA-N 1 2 379.504 4.209 20 0 GIADLO FC(F)(F)c1ccc(-n2nnnc2C[NH2+]C2(c3cccc(Cl)c3)CC2)cc1 ZINC000179678540 822525432 /nfs/dbraw/zinc/52/54/32/822525432.db2.gz ZYHYBOIGGMJWNW-UHFFFAOYSA-N 1 2 393.800 4.113 20 0 GIADLO Cc1ccccc1C(C)(C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000454756949 822528760 /nfs/dbraw/zinc/52/87/60/822528760.db2.gz KLAHKEHRMHFJRB-UHFFFAOYSA-N 1 2 378.476 4.327 20 0 GIADLO CCC(CC)n1nc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000179693875 822528840 /nfs/dbraw/zinc/52/88/40/822528840.db2.gz OUBJCTGDBPACGT-UHFFFAOYSA-N 1 2 397.567 4.326 20 0 GIADLO C[C@@H](C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)n1cc[nH+]c1 ZINC000046911220 822529731 /nfs/dbraw/zinc/52/97/31/822529731.db2.gz PIVPMHRZPJHDPI-JTQLQIEISA-N 1 2 381.288 4.437 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000183848643 822535502 /nfs/dbraw/zinc/53/55/02/822535502.db2.gz SQHNVRVHZSKEBR-OAHLLOKOSA-N 1 2 381.505 4.049 20 0 GIADLO Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000183904327 822543633 /nfs/dbraw/zinc/54/36/33/822543633.db2.gz CGGVHAYPMPLNDD-QUCCMNQESA-N 1 2 381.520 4.290 20 0 GIADLO COc1cc(Br)ccc1[C@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454845054 822544733 /nfs/dbraw/zinc/54/47/33/822544733.db2.gz VJNKOBRUIZIWTE-ZDUSSCGKSA-N 1 2 392.297 4.030 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C1c2ccccc2Oc2ccccc21 ZINC000047124140 822545695 /nfs/dbraw/zinc/54/56/95/822545695.db2.gz FGNXJOKLZQKVOS-UHFFFAOYSA-N 1 2 385.467 4.104 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179762772 822546435 /nfs/dbraw/zinc/54/64/35/822546435.db2.gz WIMCMRZQRVWVCF-LBPRGKRZSA-N 1 2 398.413 4.214 20 0 GIADLO CCc1noc(C2CCC([NH2+][C@H](Cc3ccccc3)C(=O)OC(C)(C)C)CC2)n1 ZINC000183941008 822550988 /nfs/dbraw/zinc/55/09/88/822550988.db2.gz XVAUNJQSPMFVKR-CTWPCTMYSA-N 1 2 399.535 4.201 20 0 GIADLO C[C@@H](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000179799516 822555003 /nfs/dbraw/zinc/55/50/03/822555003.db2.gz RWYKAGBJLPTUKM-INIZCTEOSA-N 1 2 395.890 4.110 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2OCC(F)F)CC1 ZINC000183983923 822558062 /nfs/dbraw/zinc/55/80/62/822558062.db2.gz ADSRZMKFJORINA-AWEZNQCLSA-N 1 2 395.475 4.303 20 0 GIADLO CC(=O)N1CCC[N@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 ZINC000179814376 822558542 /nfs/dbraw/zinc/55/85/42/822558542.db2.gz MTRANXDNTHVFJF-UHFFFAOYSA-N 1 2 384.332 4.171 20 0 GIADLO CC(=O)N1CCC[N@@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 ZINC000179814376 822558544 /nfs/dbraw/zinc/55/85/44/822558544.db2.gz MTRANXDNTHVFJF-UHFFFAOYSA-N 1 2 384.332 4.171 20 0 GIADLO CC(C)[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1nc(C2CC2)no1 ZINC000179837532 822563556 /nfs/dbraw/zinc/56/35/56/822563556.db2.gz DADSTMGATQDQET-HXUWFJFHSA-N 1 2 379.460 4.029 20 0 GIADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000184014110 822564014 /nfs/dbraw/zinc/56/40/14/822564014.db2.gz AQNIXHOQLKYOJV-STQMWFEESA-N 1 2 385.489 4.154 20 0 GIADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+](C)C[C@H](C)c1nccs1 ZINC000184014110 822564015 /nfs/dbraw/zinc/56/40/15/822564015.db2.gz AQNIXHOQLKYOJV-STQMWFEESA-N 1 2 385.489 4.154 20 0 GIADLO C[C@H](CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)c1ccc(Cl)cc1 ZINC000179845197 822565172 /nfs/dbraw/zinc/56/51/72/822565172.db2.gz KFLKYHKXSHOBEO-MRXNPFEDSA-N 1 2 395.890 4.110 20 0 GIADLO CC(C)[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H](CO)C(C)C ZINC000455016374 822571653 /nfs/dbraw/zinc/57/16/53/822571653.db2.gz AHJBKHKPWFZCQZ-SIKLNZKXSA-N 1 2 396.535 4.012 20 0 GIADLO CC(C)c1cnc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000184059309 822572592 /nfs/dbraw/zinc/57/25/92/822572592.db2.gz PBQSHMNKETVULO-QFBILLFUSA-N 1 2 379.957 4.081 20 0 GIADLO CC(C)c1cnc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000184059309 822572594 /nfs/dbraw/zinc/57/25/94/822572594.db2.gz PBQSHMNKETVULO-QFBILLFUSA-N 1 2 379.957 4.081 20 0 GIADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC[C@@]2(CCSC2)C1 ZINC000455023936 822573229 /nfs/dbraw/zinc/57/32/29/822573229.db2.gz NLUQZPIINDOMDV-JOCHJYFZSA-N 1 2 394.544 4.353 20 0 GIADLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000179899120 822573352 /nfs/dbraw/zinc/57/33/52/822573352.db2.gz XNIPFLRGWLXGCP-SNVBAGLBSA-N 1 2 399.235 4.025 20 0 GIADLO COc1ccc(C[NH2+][C@H](C)c2c(F)cccc2OC)c(Br)c1OC ZINC000179905219 822574400 /nfs/dbraw/zinc/57/44/00/822574400.db2.gz GXSARMSKNPCALV-LLVKDONJSA-N 1 2 398.272 4.465 20 0 GIADLO OCc1ccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)cc1 ZINC000179914850 822576220 /nfs/dbraw/zinc/57/62/20/822576220.db2.gz CKETYQCMGOUKKV-UHFFFAOYSA-N 1 2 394.544 4.038 20 0 GIADLO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)Nc1cccc(F)c1 ZINC000179933065 822579651 /nfs/dbraw/zinc/57/96/51/822579651.db2.gz AHIBYJROWQDLIW-CQSZACIVSA-N 1 2 391.874 4.218 20 0 GIADLO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)Nc1cccc(F)c1 ZINC000179933065 822579655 /nfs/dbraw/zinc/57/96/55/822579655.db2.gz AHIBYJROWQDLIW-CQSZACIVSA-N 1 2 391.874 4.218 20 0 GIADLO C[C@H]1CN(c2ccc([NH2+]C3CCC4(CC3)c3ccccc3NC4=O)cc2)CCO1 ZINC000179950397 822584243 /nfs/dbraw/zinc/58/42/43/822584243.db2.gz XQFRUVMXKOFKJV-NEXFNOGPSA-N 1 2 391.515 4.156 20 0 GIADLO Cc1csc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)n1 ZINC000184166796 822589526 /nfs/dbraw/zinc/58/95/26/822589526.db2.gz HBDCWSJBBXULHU-CVEARBPZSA-N 1 2 393.512 4.360 20 0 GIADLO C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455107994 822589805 /nfs/dbraw/zinc/58/98/05/822589805.db2.gz LXONGAUHHLDJRZ-WCQYABFASA-N 1 2 386.805 4.008 20 0 GIADLO Cc1ccsc1CN(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569541 822591823 /nfs/dbraw/zinc/59/18/23/822591823.db2.gz HHRUAJFFAUWDDW-CALCHBBNSA-N 1 2 387.549 4.330 20 0 GIADLO Cc1ccsc1CN(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569541 822591826 /nfs/dbraw/zinc/59/18/26/822591826.db2.gz HHRUAJFFAUWDDW-CALCHBBNSA-N 1 2 387.549 4.330 20 0 GIADLO CC(C)COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1F)c1ccco1 ZINC000184180428 822591880 /nfs/dbraw/zinc/59/18/80/822591880.db2.gz SCLPJMUOXPCKIM-CXAGYDPISA-N 1 2 382.863 4.403 20 0 GIADLO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000184192600 822593739 /nfs/dbraw/zinc/59/37/39/822593739.db2.gz WCMFPIPHPPVPMI-YJBOKZPZSA-N 1 2 376.522 4.332 20 0 GIADLO CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](COCC(C)C)c2ccco2)c1 ZINC000184192627 822593753 /nfs/dbraw/zinc/59/37/53/822593753.db2.gz WCMFPIPHPPVPMI-QAPCUYQASA-N 1 2 376.522 4.332 20 0 GIADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184214457 822597327 /nfs/dbraw/zinc/59/73/27/822597327.db2.gz AMKKPFNTNSASDP-QZTJIDSGSA-N 1 2 390.549 4.180 20 0 GIADLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc(-c4cccc(C)c4)no3)ccc2NC1=O ZINC000180031387 822601077 /nfs/dbraw/zinc/60/10/77/822601077.db2.gz GDAIWXHYBSEQRJ-RDTXWAMCSA-N 1 2 392.459 4.005 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000455262310 822620426 /nfs/dbraw/zinc/62/04/26/822620426.db2.gz MLINPGWLWVOPJS-HOTGVXAUSA-N 1 2 388.478 4.378 20 0 GIADLO CC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)c1nc(C)cs1 ZINC000184361724 822622200 /nfs/dbraw/zinc/62/22/00/822622200.db2.gz UOIPGUKGFDUPMU-CYBMUJFWSA-N 1 2 383.311 4.226 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000180134291 822623241 /nfs/dbraw/zinc/62/32/41/822623241.db2.gz RVJBFDZKNLAAJI-UHFFFAOYSA-N 1 2 396.825 4.258 20 0 GIADLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1Cl ZINC000047992853 822624502 /nfs/dbraw/zinc/62/45/02/822624502.db2.gz BNTYXPWGDRCJBR-GOSISDBHSA-N 1 2 376.909 4.077 20 0 GIADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C2CC2)o1 ZINC000048043888 822626248 /nfs/dbraw/zinc/62/62/48/822626248.db2.gz XFKUDSHMHWUZGK-HNAYVOBHSA-N 1 2 396.487 4.167 20 0 GIADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C2CC2)o1 ZINC000048043888 822626250 /nfs/dbraw/zinc/62/62/50/822626250.db2.gz XFKUDSHMHWUZGK-HNAYVOBHSA-N 1 2 396.487 4.167 20 0 GIADLO CCc1nn(C)cc1C[NH2+][C@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000180148779 822626929 /nfs/dbraw/zinc/62/69/29/822626929.db2.gz JOBSSYYUCXFNLC-JOCHJYFZSA-N 1 2 383.467 4.018 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000184401081 822628864 /nfs/dbraw/zinc/62/88/64/822628864.db2.gz DASRTQHTNHOVDR-LBPRGKRZSA-N 1 2 398.841 4.162 20 0 GIADLO C[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1nccs1 ZINC000184404477 822629261 /nfs/dbraw/zinc/62/92/61/822629261.db2.gz PRBLJLDDWSOPPJ-IFXJQAMLSA-N 1 2 383.542 4.030 20 0 GIADLO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)c1cnccn1 ZINC000184435828 822634598 /nfs/dbraw/zinc/63/45/98/822634598.db2.gz BJMSNPQNUTVQQT-KGLIPLIRSA-N 1 2 380.414 4.296 20 0 GIADLO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)c1cnccn1 ZINC000184435828 822634601 /nfs/dbraw/zinc/63/46/01/822634601.db2.gz BJMSNPQNUTVQQT-KGLIPLIRSA-N 1 2 380.414 4.296 20 0 GIADLO Cc1oc2ccccc2c1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000184436606 822634834 /nfs/dbraw/zinc/63/48/34/822634834.db2.gz KIJKHCWLUBVYKI-UHFFFAOYSA-N 1 2 388.471 4.028 20 0 GIADLO Cc1c(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cccc1N(C)C ZINC000180187649 822635249 /nfs/dbraw/zinc/63/52/49/822635249.db2.gz VWWWLTSQDFKOJQ-FGZHOGPDSA-N 1 2 389.503 4.308 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)c1C ZINC000180188516 822635398 /nfs/dbraw/zinc/63/53/98/822635398.db2.gz MJNZVVXENISQSU-CYBMUJFWSA-N 1 2 388.895 4.228 20 0 GIADLO COCC[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1cccc(C(F)(F)F)c1 ZINC000455333483 822636166 /nfs/dbraw/zinc/63/61/66/822636166.db2.gz WLCZISOHQSYOPJ-MRXNPFEDSA-N 1 2 392.381 4.252 20 0 GIADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184456483 822638559 /nfs/dbraw/zinc/63/85/59/822638559.db2.gz FVEHRBJDMOQSAP-UONOGXRCSA-N 1 2 377.529 4.450 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1nc(C(C)(C)C)cs1 ZINC000184486812 822644325 /nfs/dbraw/zinc/64/43/25/822644325.db2.gz LMWLLKYHGPQSIG-NSHDSACASA-N 1 2 390.534 4.446 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184501476 822646276 /nfs/dbraw/zinc/64/62/76/822646276.db2.gz GGKDPWLNDLSLAZ-ZIAGYGMSSA-N 1 2 375.538 4.435 20 0 GIADLO COCc1noc(C[NH2+][C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)n1 ZINC000184511989 822648205 /nfs/dbraw/zinc/64/82/05/822648205.db2.gz JOLDCXSTIIGFDH-JTQLQIEISA-N 1 2 378.885 4.152 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000048273087 822650817 /nfs/dbraw/zinc/65/08/17/822650817.db2.gz QRQJEZIFFZGZJG-UHFFFAOYSA-N 1 2 376.298 4.002 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000048273087 822650818 /nfs/dbraw/zinc/65/08/18/822650818.db2.gz QRQJEZIFFZGZJG-UHFFFAOYSA-N 1 2 376.298 4.002 20 0 GIADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccco1 ZINC000184555095 822656539 /nfs/dbraw/zinc/65/65/39/822656539.db2.gz CWWLKUQOBKDTIQ-YGRLFVJLSA-N 1 2 390.789 4.256 20 0 GIADLO Cc1c(-c2cc(C[N@@H+]3CCSC[C@@H]3c3ccc(Cl)cc3)on2)cnn1C ZINC000184560445 822657671 /nfs/dbraw/zinc/65/76/71/822657671.db2.gz RETNCBMOONQQLD-LJQANCHMSA-N 1 2 388.924 4.327 20 0 GIADLO Cc1c(-c2cc(C[N@H+]3CCSC[C@@H]3c3ccc(Cl)cc3)on2)cnn1C ZINC000184560445 822657675 /nfs/dbraw/zinc/65/76/75/822657675.db2.gz RETNCBMOONQQLD-LJQANCHMSA-N 1 2 388.924 4.327 20 0 GIADLO COc1ccc(Br)cc1CN(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455466589 822659942 /nfs/dbraw/zinc/65/99/42/822659942.db2.gz FNJATNGYHDIMEK-UHFFFAOYSA-N 1 2 392.297 4.442 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C2=CC[C@@H](C)CC2)cc1 ZINC000455474334 822661441 /nfs/dbraw/zinc/66/14/41/822661441.db2.gz RLFVOKJFMZMSRA-LJQANCHMSA-N 1 2 381.520 4.447 20 0 GIADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccco1 ZINC000184592939 822662963 /nfs/dbraw/zinc/66/29/63/822662963.db2.gz FIOUPDWEAVXFGP-DYESRHJHSA-N 1 2 394.471 4.163 20 0 GIADLO COc1cc(N[C@@H]2CCCN(C(=O)Nc3c(C)cc(C)[nH+]c3C)C2)cc(OC)c1 ZINC000455485676 822663813 /nfs/dbraw/zinc/66/38/13/822663813.db2.gz KCYXHVSFBNDHKH-QGZVFWFLSA-N 1 2 398.507 4.132 20 0 GIADLO CC(C)Oc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000048459138 822663995 /nfs/dbraw/zinc/66/39/95/822663995.db2.gz UDFJHZACNRZRIG-UHFFFAOYSA-N 1 2 378.476 4.083 20 0 GIADLO CN(C)C(=O)Sc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000184611130 822665564 /nfs/dbraw/zinc/66/55/64/822665564.db2.gz KXBUVTAAGJOYGX-HXUWFJFHSA-N 1 2 398.507 4.212 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCOc3c(Br)cccc32)c(C)[nH+]1 ZINC000455495260 822665746 /nfs/dbraw/zinc/66/57/46/822665746.db2.gz FUIGACDLVFQHNF-OAHLLOKOSA-N 1 2 390.281 4.415 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000048478249 822666264 /nfs/dbraw/zinc/66/62/64/822666264.db2.gz WRUYZWLEEAZFHS-UHFFFAOYSA-N 1 2 391.878 4.055 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCc3cc(Br)cc(F)c3C2)c(C)[nH+]1 ZINC000455504237 822667443 /nfs/dbraw/zinc/66/74/43/822667443.db2.gz WFAXDFMOLMTTIF-UHFFFAOYSA-N 1 2 392.272 4.499 20 0 GIADLO COC[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C)o1 ZINC000184636967 822669356 /nfs/dbraw/zinc/66/93/56/822669356.db2.gz IADMUSKXXMFEES-AWEZNQCLSA-N 1 2 390.789 4.176 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c(C)[nH+]1 ZINC000455528633 822670877 /nfs/dbraw/zinc/67/08/77/822670877.db2.gz QVZDRVZZDFIBNC-CQSZACIVSA-N 1 2 395.429 4.171 20 0 GIADLO COc1ccc(Br)c(CN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000455527517 822670884 /nfs/dbraw/zinc/67/08/84/822670884.db2.gz QFLPQJZMRAASGO-UHFFFAOYSA-N 1 2 392.297 4.442 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c[nH+]1 ZINC000455535769 822671681 /nfs/dbraw/zinc/67/16/81/822671681.db2.gz BCUAKXJDRJSCGK-GOSISDBHSA-N 1 2 394.302 4.288 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(C)o1 ZINC000184670070 822673607 /nfs/dbraw/zinc/67/36/07/822673607.db2.gz DCOPCBXPYXJUMG-MLGOLLRUSA-N 1 2 385.291 4.049 20 0 GIADLO COC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1)c1ccc(C)o1 ZINC000184683789 822676196 /nfs/dbraw/zinc/67/61/96/822676196.db2.gz HQEORSXJVKCMAX-FIKGOQFSSA-N 1 2 380.488 4.284 20 0 GIADLO COCC[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)c1cccc(C(F)(F)F)c1 ZINC000455570395 822676298 /nfs/dbraw/zinc/67/62/98/822676298.db2.gz MBZCFLDSOLNDJW-SFHVURJKSA-N 1 2 395.425 4.294 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000455577223 822677589 /nfs/dbraw/zinc/67/75/89/822677589.db2.gz JLCNVTXCRWYJMC-IBGZPJMESA-N 1 2 380.536 4.399 20 0 GIADLO CCN(CC)c1ccc(-c2nnc(SCCCn3cc[nH+]c3)n2CC)cc1 ZINC000180432104 822680721 /nfs/dbraw/zinc/68/07/21/822680721.db2.gz KZDYPHGYFYPIBF-UHFFFAOYSA-N 1 2 384.553 4.190 20 0 GIADLO COc1cc(Cl)cc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c1O ZINC000184743581 822684840 /nfs/dbraw/zinc/68/48/40/822684840.db2.gz JDESTRCBZBJHIB-UHFFFAOYSA-N 1 2 397.906 4.052 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(Br)o3)o2)cc1F ZINC000180452190 822684949 /nfs/dbraw/zinc/68/49/49/822684949.db2.gz SHOOCAVWKXRANA-VIFPVBQESA-N 1 2 396.216 4.091 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(C)o1 ZINC000184751733 822685979 /nfs/dbraw/zinc/68/59/79/822685979.db2.gz WWOGVGZBAWGSQH-CQSZACIVSA-N 1 2 390.789 4.176 20 0 GIADLO CC(C)Oc1ccccc1[C@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048965888 822689734 /nfs/dbraw/zinc/68/97/34/822689734.db2.gz BAHXMMCKKDLFEV-SFHVURJKSA-N 1 2 392.503 4.279 20 0 GIADLO Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3Cn3cc[nH+]c3)cn2)c1C ZINC000180495024 822691062 /nfs/dbraw/zinc/69/10/62/822691062.db2.gz FHUOPPAHMJNYEM-IBGZPJMESA-N 1 2 391.475 4.384 20 0 GIADLO O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180501840 822691916 /nfs/dbraw/zinc/69/19/16/822691916.db2.gz MEGQTDKOWAKPGZ-KRWDZBQOSA-N 1 2 397.866 4.420 20 0 GIADLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000455664274 822694893 /nfs/dbraw/zinc/69/48/93/822694893.db2.gz UMMXBQIUVHDXSB-UWJYYQICSA-N 1 2 394.906 4.132 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)o1 ZINC000184828025 822696269 /nfs/dbraw/zinc/69/62/69/822696269.db2.gz PKMHQLRACOVTTJ-YOEHRIQHSA-N 1 2 378.900 4.417 20 0 GIADLO S=c1oc(-c2ccccc2Cl)nn1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000184831799 822696999 /nfs/dbraw/zinc/69/69/99/822696999.db2.gz NSFHPTFTYUCLNM-UHFFFAOYSA-N 1 2 397.953 4.081 20 0 GIADLO S=c1oc(-c2ccccc2Cl)nn1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000184831799 822697000 /nfs/dbraw/zinc/69/70/00/822697000.db2.gz NSFHPTFTYUCLNM-UHFFFAOYSA-N 1 2 397.953 4.081 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc4c(c3)OC(C)(C)O4)cn2c1 ZINC000049307314 822698013 /nfs/dbraw/zinc/69/80/13/822698013.db2.gz SRBKFFZWQWPHNR-UHFFFAOYSA-N 1 2 383.473 4.022 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N[C@H](c2cccs2)C(C)(C)C)o1 ZINC000184842028 822698591 /nfs/dbraw/zinc/69/85/91/822698591.db2.gz QDNMMIMCDXQTAA-HNAYVOBHSA-N 1 2 378.538 4.084 20 0 GIADLO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C)c1ncc(-c2ccccc2)o1 ZINC000184853270 822700586 /nfs/dbraw/zinc/70/05/86/822700586.db2.gz KFSCPMXLHMSTTE-IRXDYDNUSA-N 1 2 375.472 4.360 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)NCc1ccc(Cl)cc1 ZINC000184856738 822701296 /nfs/dbraw/zinc/70/12/96/822701296.db2.gz SCZIRCXAMQPRBS-CABCVRRESA-N 1 2 383.879 4.351 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c(OC)c1 ZINC000184869988 822704239 /nfs/dbraw/zinc/70/42/39/822704239.db2.gz CIFSIAFMBYVEME-LSDHHAIUSA-N 1 2 395.459 4.037 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1ccc(OC)cc1 ZINC000184869800 822704306 /nfs/dbraw/zinc/70/43/06/822704306.db2.gz PNCOKXAFISMBCP-KXBFYZLASA-N 1 2 379.460 4.418 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1ncc(-c2ccccc2)o1 ZINC000184887408 822707388 /nfs/dbraw/zinc/70/73/88/822707388.db2.gz WQFDNARPPPBIHK-QGZVFWFLSA-N 1 2 375.472 4.183 20 0 GIADLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)OCCO2 ZINC000180618669 822713663 /nfs/dbraw/zinc/71/36/63/822713663.db2.gz VMGSAMWUOKFYBY-MRXNPFEDSA-N 1 2 385.851 4.402 20 0 GIADLO CC[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccc2c(c1)OCCO2 ZINC000180621634 822714347 /nfs/dbraw/zinc/71/43/47/822714347.db2.gz LTZTZXWBHGQVOB-MRXNPFEDSA-N 1 2 387.386 4.027 20 0 GIADLO O=C(CC1(CSc2ccccc2)CC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000184962764 822719158 /nfs/dbraw/zinc/71/91/58/822719158.db2.gz JJKAQNGPTOGBJP-UHFFFAOYSA-N 1 2 381.545 4.261 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(OCc3ccccc3)cc2)s1 ZINC000184978276 822720754 /nfs/dbraw/zinc/72/07/54/822720754.db2.gz XVHWLEUVCXQHHR-MRXNPFEDSA-N 1 2 381.501 4.320 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)s1 ZINC000184990578 822722661 /nfs/dbraw/zinc/72/26/61/822722661.db2.gz YGILKZFBXXLALC-KXBFYZLASA-N 1 2 385.558 4.378 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)s1 ZINC000184995691 822723187 /nfs/dbraw/zinc/72/31/87/822723187.db2.gz ZQFPNKUSSIFAGZ-MGPUTAFESA-N 1 2 397.569 4.338 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cnc(-c2ccccc2Cl)s1 ZINC000050298823 822724592 /nfs/dbraw/zinc/72/45/92/822724592.db2.gz ZPIPETJGSZVICS-UHFFFAOYSA-N 1 2 398.919 4.389 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)s1 ZINC000185020813 822726167 /nfs/dbraw/zinc/72/61/67/822726167.db2.gz YFHNPPKRMJQKSZ-CYBMUJFWSA-N 1 2 397.466 4.312 20 0 GIADLO CC(C)(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(Cl)c1F ZINC000185029442 822727133 /nfs/dbraw/zinc/72/71/33/822727133.db2.gz HIRDIHJXAIZIID-UHFFFAOYSA-N 1 2 385.870 4.318 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)s1 ZINC000185029315 822727163 /nfs/dbraw/zinc/72/71/63/822727163.db2.gz KWSPCCGVIIFHPZ-VIFPVBQESA-N 1 2 377.819 4.413 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]Cc2cc3c(cc2Br)OCCCO3)s1 ZINC000185033055 822727512 /nfs/dbraw/zinc/72/75/12/822727512.db2.gz UYWDQWAADZSMFQ-NSHDSACASA-N 1 2 383.311 4.226 20 0 GIADLO CC[C@H](C)n1c2ccc(NC(=O)NCCn3cc[nH+]c3)cc2nc1C(F)(F)F ZINC000455801592 822728862 /nfs/dbraw/zinc/72/88/62/822728862.db2.gz UWZUOCFIZIFMJP-LBPRGKRZSA-N 1 2 394.401 4.044 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1nccs1 ZINC000185057670 822730381 /nfs/dbraw/zinc/73/03/81/822730381.db2.gz RNUQHLNYTNIPRQ-ZDUSSCGKSA-N 1 2 394.472 4.224 20 0 GIADLO O=C(CCCOc1ccccc1Cl)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000050558217 822733599 /nfs/dbraw/zinc/73/35/99/822733599.db2.gz HPOVVEXIQOMVGM-UHFFFAOYSA-N 1 2 397.906 4.103 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)c1nccs1 ZINC000185078781 822734051 /nfs/dbraw/zinc/73/40/51/822734051.db2.gz XFFHCZGFOLLVFA-MJGOQNOKSA-N 1 2 375.513 4.371 20 0 GIADLO CC(C)(NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(Cl)c1F ZINC000185110808 822738432 /nfs/dbraw/zinc/73/84/32/822738432.db2.gz ZDVAEOZIFPMWMI-UHFFFAOYSA-N 1 2 390.890 4.209 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cc(C)no3)cs2)cc1 ZINC000050960307 822743188 /nfs/dbraw/zinc/74/31/88/822743188.db2.gz KTRMZDGJKIHYGV-QGZVFWFLSA-N 1 2 383.473 4.230 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cc(C)no3)cs2)cc1 ZINC000050960307 822743191 /nfs/dbraw/zinc/74/31/91/822743191.db2.gz KTRMZDGJKIHYGV-QGZVFWFLSA-N 1 2 383.473 4.230 20 0 GIADLO CCCCOc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000185186266 822747002 /nfs/dbraw/zinc/74/70/02/822747002.db2.gz QWJDTDVJDLEBTI-UHFFFAOYSA-N 1 2 387.911 4.313 20 0 GIADLO COc1c(C)c[nH+]c(CN[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1C ZINC000051164900 822748917 /nfs/dbraw/zinc/74/89/17/822748917.db2.gz CYFRKVIDPHGITM-JOCHJYFZSA-N 1 2 389.499 4.485 20 0 GIADLO NC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 ZINC000051187664 822749751 /nfs/dbraw/zinc/74/97/51/822749751.db2.gz CIIHIHLUNJLROM-SFHVURJKSA-N 1 2 385.261 4.025 20 0 GIADLO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000185276258 822758220 /nfs/dbraw/zinc/75/82/20/822758220.db2.gz ZDRWDJORESKZIB-GOEBONIOSA-N 1 2 393.915 4.170 20 0 GIADLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1nnc(C(F)F)s1 ZINC000174275544 822761164 /nfs/dbraw/zinc/76/11/64/822761164.db2.gz MQQMRDKRXIXKAV-UHFFFAOYSA-N 1 2 388.443 4.117 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1nc2ccccc2s1 ZINC000174279936 822762216 /nfs/dbraw/zinc/76/22/16/822762216.db2.gz XASBULVETWXDEK-UHFFFAOYSA-N 1 2 395.532 4.462 20 0 GIADLO Cc1ccc(Oc2ccccc2CC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000455991943 822762925 /nfs/dbraw/zinc/76/29/25/822762925.db2.gz FNHGLGMVJCOKCL-IBGZPJMESA-N 1 2 375.472 4.079 20 0 GIADLO CC(C)(C)Oc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000174322306 822770627 /nfs/dbraw/zinc/77/06/27/822770627.db2.gz MGVKTFYGWQHKTB-QGZVFWFLSA-N 1 2 398.400 4.338 20 0 GIADLO C[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](c2ccco2)C1 ZINC000174335152 822773303 /nfs/dbraw/zinc/77/33/03/822773303.db2.gz KVXBDPVXKIZUKP-HNAYVOBHSA-N 1 2 382.439 4.287 20 0 GIADLO Cc1cccn2c(CNc3ccc(Cc4nnc5n4CCCCC5)cc3)c[nH+]c12 ZINC000185376176 822774761 /nfs/dbraw/zinc/77/47/61/822774761.db2.gz LFZBNYPWWZXETL-UHFFFAOYSA-N 1 2 386.503 4.164 20 0 GIADLO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(-c2ccncc2)cc1 ZINC000174345245 822775718 /nfs/dbraw/zinc/77/57/18/822775718.db2.gz DHINVUYLKAOFAI-SFHVURJKSA-N 1 2 389.503 4.396 20 0 GIADLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000185388670 822777060 /nfs/dbraw/zinc/77/70/60/822777060.db2.gz CQOYSHHDZWLCFJ-GJZGRUSLSA-N 1 2 380.579 4.262 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1)c1cn(-c2ccccc2)nn1 ZINC000185467903 822787629 /nfs/dbraw/zinc/78/76/29/822787629.db2.gz QPFNLFINADWFEF-GOSISDBHSA-N 1 2 397.482 4.370 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000185485524 822789541 /nfs/dbraw/zinc/78/95/41/822789541.db2.gz SECWRPLDGMXDCM-SFHVURJKSA-N 1 2 397.482 4.224 20 0 GIADLO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3F)CC2)CC1 ZINC000052158691 822791813 /nfs/dbraw/zinc/79/18/13/822791813.db2.gz NOJYICFVJHHYGK-UHFFFAOYSA-N 1 2 397.332 4.059 20 0 GIADLO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2ccccc2Cl)cc1OC ZINC000052163104 822791875 /nfs/dbraw/zinc/79/18/75/822791875.db2.gz ZLHPEVUHTLDWJW-OAHLLOKOSA-N 1 2 390.911 4.009 20 0 GIADLO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2ccccc2Cl)cc1OC ZINC000052163104 822791877 /nfs/dbraw/zinc/79/18/77/822791877.db2.gz ZLHPEVUHTLDWJW-OAHLLOKOSA-N 1 2 390.911 4.009 20 0 GIADLO C[C@@H]1C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](c2ccccc2)CO1 ZINC000174456569 822792507 /nfs/dbraw/zinc/79/25/07/822792507.db2.gz CVXYCPHSYHQZPW-XXBNENTESA-N 1 2 378.516 4.275 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](c2ccccc2)CO1 ZINC000174456569 822792509 /nfs/dbraw/zinc/79/25/09/822792509.db2.gz CVXYCPHSYHQZPW-XXBNENTESA-N 1 2 378.516 4.275 20 0 GIADLO Cc1ccc(SC[C@@H](C)NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000185582729 822799025 /nfs/dbraw/zinc/79/90/25/822799025.db2.gz BGNHTFCUGVMFFS-GOSISDBHSA-N 1 2 394.544 4.220 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Oc2ccccc2)nc1 ZINC000052560230 822803693 /nfs/dbraw/zinc/80/36/93/822803693.db2.gz VOVUWWCOJMYBPR-UHFFFAOYSA-N 1 2 384.439 4.049 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2nc3cc(Cl)ccc3n2C)cc1OC(F)F ZINC000052609181 822804881 /nfs/dbraw/zinc/80/48/81/822804881.db2.gz XMGKVZUDLBENSS-UHFFFAOYSA-N 1 2 395.837 4.469 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)cc1OC(F)F ZINC000052609181 822804885 /nfs/dbraw/zinc/80/48/85/822804885.db2.gz XMGKVZUDLBENSS-UHFFFAOYSA-N 1 2 395.837 4.469 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nc(-c2ccc(F)cc2)no1 ZINC000185635921 822805049 /nfs/dbraw/zinc/80/50/49/822805049.db2.gz YTZINNJWZLMLMP-SNVBAGLBSA-N 1 2 397.376 4.102 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1(Cc2cccc(F)c2)CCC1 ZINC000185660553 822807772 /nfs/dbraw/zinc/80/77/72/822807772.db2.gz CIBYRRSMKRMXQH-UHFFFAOYSA-N 1 2 381.495 4.240 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000052909623 822815065 /nfs/dbraw/zinc/81/50/65/822815065.db2.gz IXFSHUFJOGNRME-UHFFFAOYSA-N 1 2 391.899 4.484 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)c1nnc2ccccn21 ZINC000052919045 822815862 /nfs/dbraw/zinc/81/58/62/822815862.db2.gz NGBRZECECRFACP-ZDUSSCGKSA-N 1 2 375.457 4.450 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(C)c(O)c(C)c3C)c2C1 ZINC000185749837 822817501 /nfs/dbraw/zinc/81/75/01/822817501.db2.gz LYULWHGLQABHOP-UHFFFAOYSA-N 1 2 389.499 4.496 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(C)c(O)c(C)c3C)c2C1 ZINC000185749837 822817505 /nfs/dbraw/zinc/81/75/05/822817505.db2.gz LYULWHGLQABHOP-UHFFFAOYSA-N 1 2 389.499 4.496 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)n2)c1 ZINC000174655325 822818686 /nfs/dbraw/zinc/81/86/86/822818686.db2.gz IQBZWUFLRGZCIK-CQSZACIVSA-N 1 2 379.460 4.310 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000053111161 822821999 /nfs/dbraw/zinc/82/19/99/822821999.db2.gz IKGUTFSVEDDSQX-ZDUSSCGKSA-N 1 2 378.394 4.367 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000053111161 822822003 /nfs/dbraw/zinc/82/20/03/822822003.db2.gz IKGUTFSVEDDSQX-ZDUSSCGKSA-N 1 2 378.394 4.367 20 0 GIADLO c1ccc(-c2cnc(C[NH2+]Cc3ccc(OCc4ccncc4)cc3)nc2)cc1 ZINC000185873142 822829018 /nfs/dbraw/zinc/82/90/18/822829018.db2.gz ZWVTZVXKRBLQKS-UHFFFAOYSA-N 1 2 382.467 4.407 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000174765181 822834223 /nfs/dbraw/zinc/83/42/23/822834223.db2.gz KEPUKWZVCSPTCC-GOSISDBHSA-N 1 2 389.883 4.395 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)c1nc(C(F)(F)F)cs1 ZINC000185937055 822835206 /nfs/dbraw/zinc/83/52/06/822835206.db2.gz KKMNFPFKSZKIBY-WXRRBKDZSA-N 1 2 377.476 4.240 20 0 GIADLO Cc1cc(C)c(CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)c[nH+]1 ZINC000456833045 822836307 /nfs/dbraw/zinc/83/63/07/822836307.db2.gz GFHJADHYMLIKMW-UHFFFAOYSA-N 1 2 388.899 4.202 20 0 GIADLO Cc1cc(C)c(CNC(=O)CCCC(=O)c2ccc(Br)cc2)c[nH+]1 ZINC000456848721 822837860 /nfs/dbraw/zinc/83/78/60/822837860.db2.gz USSVPRVJSUQWCW-UHFFFAOYSA-N 1 2 389.293 4.130 20 0 GIADLO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456868023 822839206 /nfs/dbraw/zinc/83/92/06/822839206.db2.gz WYGKLNDFHDQKJL-UHFFFAOYSA-N 1 2 386.293 4.110 20 0 GIADLO Fc1cccc([C@@H]2C[C@@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1F ZINC000174838700 822844528 /nfs/dbraw/zinc/84/45/28/822844528.db2.gz CGNPHTZKUXAAOR-ROUUACIJSA-N 1 2 397.425 4.118 20 0 GIADLO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)Nc2cccnc2Cl)CC1 ZINC000053743002 822846823 /nfs/dbraw/zinc/84/68/23/822846823.db2.gz GQMFEGQFLDHDFT-UHFFFAOYSA-N 1 2 382.895 4.343 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc(OC)c1OC ZINC000186055845 822847757 /nfs/dbraw/zinc/84/77/57/822847757.db2.gz BYQODKLTZVWAOV-HNNXBMFYSA-N 1 2 379.460 4.020 20 0 GIADLO C[C@@H](c1cccs1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000053814076 822849327 /nfs/dbraw/zinc/84/93/27/822849327.db2.gz HAWLRBAHUOJTIA-HNNXBMFYSA-N 1 2 383.517 4.039 20 0 GIADLO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000053814076 822849331 /nfs/dbraw/zinc/84/93/31/822849331.db2.gz HAWLRBAHUOJTIA-HNNXBMFYSA-N 1 2 383.517 4.039 20 0 GIADLO O=C(N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000457074894 822850473 /nfs/dbraw/zinc/85/04/73/822850473.db2.gz KLHWTKSOFCUBHY-NQIIRXRSSA-N 1 2 398.934 4.238 20 0 GIADLO C[C@@H]1CCN(C(=O)CCCc2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000186096057 822851144 /nfs/dbraw/zinc/85/11/44/822851144.db2.gz RZSGZPXEFHMNTC-QAPCUYQASA-N 1 2 379.426 4.334 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1c(F)cccc1Cl ZINC000174896516 822852189 /nfs/dbraw/zinc/85/21/89/822852189.db2.gz MKMFBAUSFHIQFK-UHFFFAOYSA-N 1 2 389.902 4.182 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1cc(Cl)cs1 ZINC000174901451 822852882 /nfs/dbraw/zinc/85/28/82/822852882.db2.gz GNEGYQQFPIQSLU-UHFFFAOYSA-N 1 2 391.968 4.494 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(Cl)c(Cl)n1C ZINC000174902749 822853167 /nfs/dbraw/zinc/85/31/67/822853167.db2.gz JIXILTANAKZNJJ-UHFFFAOYSA-N 1 2 395.334 4.106 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(F)c(F)cc1Cl ZINC000174904456 822853442 /nfs/dbraw/zinc/85/34/42/822853442.db2.gz SPMNVVZZQAWIDH-UHFFFAOYSA-N 1 2 393.865 4.392 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc2ccc(C)nc21 ZINC000174904159 822853493 /nfs/dbraw/zinc/85/34/93/822853493.db2.gz DINRYEYOGUEZGG-UHFFFAOYSA-N 1 2 388.515 4.317 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC000174911500 822854633 /nfs/dbraw/zinc/85/46/33/822854633.db2.gz GGVGBPOJPQLWSW-GOSISDBHSA-N 1 2 383.511 4.164 20 0 GIADLO C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cc(Br)cc(F)c1O ZINC000186138262 822854746 /nfs/dbraw/zinc/85/47/46/822854746.db2.gz QGUGGNZWPNGXIE-NSHDSACASA-N 1 2 382.277 4.456 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000174915794 822855422 /nfs/dbraw/zinc/85/54/22/822855422.db2.gz SREJYMGYYAMEKR-JOCHJYFZSA-N 1 2 395.572 4.177 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1Cc2sccc2CC1(C)C ZINC000457319829 822864874 /nfs/dbraw/zinc/86/48/74/822864874.db2.gz NWZYEYWQLYMUNZ-UHFFFAOYSA-N 1 2 375.444 4.048 20 0 GIADLO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000568969077 822866037 /nfs/dbraw/zinc/86/60/37/822866037.db2.gz ZKWJOBVHDCXEDR-KZULUSFZSA-N 1 2 383.293 4.257 20 0 GIADLO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000568969077 822866039 /nfs/dbraw/zinc/86/60/39/822866039.db2.gz ZKWJOBVHDCXEDR-KZULUSFZSA-N 1 2 383.293 4.257 20 0 GIADLO CC(C)Oc1ccc(Cl)cc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000568970750 822866413 /nfs/dbraw/zinc/86/64/13/822866413.db2.gz FDRZWAHPIYQIKR-UHFFFAOYSA-N 1 2 376.888 4.324 20 0 GIADLO COc1ccc(C[NH2+]C2(c3nccs3)CCCC2)c(Br)c1OC ZINC000175007821 822866571 /nfs/dbraw/zinc/86/65/71/822866571.db2.gz XTPHGUVEOWCSES-UHFFFAOYSA-N 1 2 397.338 4.482 20 0 GIADLO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000568972463 822866619 /nfs/dbraw/zinc/86/66/19/822866619.db2.gz UJJLBJCOZPFTNX-CYBMUJFWSA-N 1 2 383.782 4.022 20 0 GIADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000568993796 822868034 /nfs/dbraw/zinc/86/80/34/822868034.db2.gz ZKRIFVANRIVHKJ-VQTJNVASSA-N 1 2 395.890 4.185 20 0 GIADLO Cc1ccc(-c2ncco2)cc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000569009966 822869389 /nfs/dbraw/zinc/86/93/89/822869389.db2.gz FFIOQILDNJERRB-UHFFFAOYSA-N 1 2 382.489 4.061 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000054224611 822869450 /nfs/dbraw/zinc/86/94/50/822869450.db2.gz ZFPUOQNBTLCVPS-UHFFFAOYSA-N 1 2 387.418 4.327 20 0 GIADLO CC(C)(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457429348 822874609 /nfs/dbraw/zinc/87/46/09/822874609.db2.gz ZYMQCSDIYJVOEH-UHFFFAOYSA-N 1 2 381.907 4.470 20 0 GIADLO CC(C)COC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000054325955 822876562 /nfs/dbraw/zinc/87/65/62/822876562.db2.gz BEMQUQIXGSYHKB-UHFFFAOYSA-N 1 2 391.512 4.025 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC000175076255 822878097 /nfs/dbraw/zinc/87/80/97/822878097.db2.gz QXFSNWJJXMPPAF-KRWDZBQOSA-N 1 2 384.495 4.174 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(Oc4ncccc4F)CC3)o2)cc1C ZINC000569092431 822879689 /nfs/dbraw/zinc/87/96/89/822879689.db2.gz DTTVKBHCQCOZIN-MRXNPFEDSA-N 1 2 396.466 4.492 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](CC(C)C)c1cc(Cl)ccc1OC ZINC000186362285 822882121 /nfs/dbraw/zinc/88/21/21/822882121.db2.gz WRHMJQMYANHLCX-QGZVFWFLSA-N 1 2 393.915 4.136 20 0 GIADLO Cc1nc2nc(=S)n(C[NH+]3CCC(Cc4ccccc4)CC3)n2c(C)c1C ZINC000054421684 822883622 /nfs/dbraw/zinc/88/36/22/822883622.db2.gz FCAGDBKERNRMBV-UHFFFAOYSA-N 1 2 381.549 4.098 20 0 GIADLO CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000457550971 822889556 /nfs/dbraw/zinc/88/95/56/822889556.db2.gz DMBDWVALQHRYRL-XZOQPEGZSA-N 1 2 388.515 4.409 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000457551506 822889728 /nfs/dbraw/zinc/88/97/28/822889728.db2.gz FNSSIHVMLCUYTP-PWHSHALESA-N 1 2 388.515 4.408 20 0 GIADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1[nH]ccc1C1CC1 ZINC000457553451 822889958 /nfs/dbraw/zinc/88/99/58/822889958.db2.gz IQODNRRDKKWHNU-INIZCTEOSA-N 1 2 375.875 4.079 20 0 GIADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1[nH]ccc1C1CC1 ZINC000457553451 822889963 /nfs/dbraw/zinc/88/99/63/822889963.db2.gz IQODNRRDKKWHNU-INIZCTEOSA-N 1 2 375.875 4.079 20 0 GIADLO Cc1oc2ccc(NC(=O)N3CC[NH+]([C@H](C)c4cccnc4)CC3)cc2c1C ZINC000186437482 822895489 /nfs/dbraw/zinc/89/54/89/822895489.db2.gz XTHJREGFTPLYLC-MRXNPFEDSA-N 1 2 378.476 4.355 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000457609458 822897030 /nfs/dbraw/zinc/89/70/30/822897030.db2.gz TZDASWNCSDVFQO-LQWHRVPQSA-N 1 2 378.520 4.158 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC(c2ccc(Cl)cc2)C1 ZINC000457617134 822897716 /nfs/dbraw/zinc/89/77/16/822897716.db2.gz YYJREOIMPYXPGO-UHFFFAOYSA-N 1 2 384.911 4.034 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1cccnc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000569274688 822899840 /nfs/dbraw/zinc/89/98/40/822899840.db2.gz MSGZWVNNWIHSOB-SIKLNZKXSA-N 1 2 377.513 4.186 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1cccnc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000569274688 822899847 /nfs/dbraw/zinc/89/98/47/822899847.db2.gz MSGZWVNNWIHSOB-SIKLNZKXSA-N 1 2 377.513 4.186 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccnc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000569274686 822899895 /nfs/dbraw/zinc/89/98/95/822899895.db2.gz MSGZWVNNWIHSOB-DENIHFKCSA-N 1 2 377.513 4.186 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1cccnc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000569274686 822899898 /nfs/dbraw/zinc/89/98/98/822899898.db2.gz MSGZWVNNWIHSOB-DENIHFKCSA-N 1 2 377.513 4.186 20 0 GIADLO O=C(NC1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1)C1CCCCC1 ZINC000569279764 822900872 /nfs/dbraw/zinc/90/08/72/822900872.db2.gz CYRDYJMPICOPCH-UHFFFAOYSA-N 1 2 384.442 4.072 20 0 GIADLO C[C@](Cc1ccccc1)(NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000457672756 822904715 /nfs/dbraw/zinc/90/47/15/822904715.db2.gz LLCMAWKKUVTCFX-XMMPIXPASA-N 1 2 388.515 4.142 20 0 GIADLO C[C@@](Cc1ccccc1)(NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000457672755 822904790 /nfs/dbraw/zinc/90/47/90/822904790.db2.gz LLCMAWKKUVTCFX-DEOSSOPVSA-N 1 2 388.515 4.142 20 0 GIADLO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+][C@H](C)c1cn[nH]c1C ZINC000186503635 822905814 /nfs/dbraw/zinc/90/58/14/822905814.db2.gz MNTOQDWVBXFSFX-CXAGYDPISA-N 1 2 380.330 4.169 20 0 GIADLO Fc1cc(Br)cc(F)c1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000186551150 822911733 /nfs/dbraw/zinc/91/17/33/822911733.db2.gz XPQKELCKFJDPBX-UHFFFAOYSA-N 1 2 392.247 4.262 20 0 GIADLO COC(=O)c1cccc(C[NH2+]Cc2csc(COc3ccc(C)cc3)n2)c1 ZINC000569392755 822915512 /nfs/dbraw/zinc/91/55/12/822915512.db2.gz YLFBXZHVKRONOC-UHFFFAOYSA-N 1 2 382.485 4.107 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cc(F)c(F)cc1Cl ZINC000569394570 822916003 /nfs/dbraw/zinc/91/60/03/822916003.db2.gz CZLRADWVCGTDEB-UHFFFAOYSA-N 1 2 382.197 4.387 20 0 GIADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457778339 822918545 /nfs/dbraw/zinc/91/85/45/822918545.db2.gz SBZAKSFYZYRFQT-HDMKZQKVSA-N 1 2 394.441 4.192 20 0 GIADLO CC(C)(c1ccccc1)C1(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000457780169 822918785 /nfs/dbraw/zinc/91/87/85/822918785.db2.gz VUOOOFDHSXHJCA-UHFFFAOYSA-N 1 2 388.515 4.241 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)cs2)cc1 ZINC000569412903 822918891 /nfs/dbraw/zinc/91/88/91/822918891.db2.gz PHEMICGWESCWQH-RTBURBONSA-N 1 2 398.528 4.130 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)cs2)cc1 ZINC000569412903 822918893 /nfs/dbraw/zinc/91/88/93/822918893.db2.gz PHEMICGWESCWQH-RTBURBONSA-N 1 2 398.528 4.130 20 0 GIADLO CCN(C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccc(OC)cc1 ZINC000569417108 822919842 /nfs/dbraw/zinc/91/98/42/822919842.db2.gz YYINJBOCPFPMPG-HNNXBMFYSA-N 1 2 388.537 4.442 20 0 GIADLO CCN(C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccc(OC)cc1 ZINC000569417108 822919848 /nfs/dbraw/zinc/91/98/48/822919848.db2.gz YYINJBOCPFPMPG-HNNXBMFYSA-N 1 2 388.537 4.442 20 0 GIADLO CN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000457799771 822920341 /nfs/dbraw/zinc/92/03/41/822920341.db2.gz XEMHUMSEHIHFSC-NHCUHLMSSA-N 1 2 378.520 4.028 20 0 GIADLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186594759 822920438 /nfs/dbraw/zinc/92/04/38/822920438.db2.gz KHGXASUYLLOCQH-UHFFFAOYSA-N 1 2 386.517 4.124 20 0 GIADLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186594759 822920444 /nfs/dbraw/zinc/92/04/44/822920444.db2.gz KHGXASUYLLOCQH-UHFFFAOYSA-N 1 2 386.517 4.124 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000457801930 822920706 /nfs/dbraw/zinc/92/07/06/822920706.db2.gz YUDPDTSGABZLNC-DBXWQHBBSA-N 1 2 378.520 4.027 20 0 GIADLO CCN(CC1CC[NH+](Cc2csc([C@H](C)OC)n2)CC1)C(=O)OC(C)(C)C ZINC000175288768 822925364 /nfs/dbraw/zinc/92/53/64/822925364.db2.gz SLPHRXXSGNESPT-HNNXBMFYSA-N 1 2 397.585 4.320 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000186656638 822930707 /nfs/dbraw/zinc/93/07/07/822930707.db2.gz MDMVRBQAPRKBPW-UHFFFAOYSA-N 1 2 377.410 4.141 20 0 GIADLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000186663309 822932309 /nfs/dbraw/zinc/93/23/09/822932309.db2.gz SJRSXBFOANZXDR-CYBMUJFWSA-N 1 2 379.913 4.174 20 0 GIADLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000186663309 822932313 /nfs/dbraw/zinc/93/23/13/822932313.db2.gz SJRSXBFOANZXDR-CYBMUJFWSA-N 1 2 379.913 4.174 20 0 GIADLO Cc1occc1C[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000055055203 822935246 /nfs/dbraw/zinc/93/52/46/822935246.db2.gz WWGGZULMSQTPRY-QFIPXVFZSA-N 1 2 380.513 4.256 20 0 GIADLO Cc1occc1C[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000055055203 822935249 /nfs/dbraw/zinc/93/52/49/822935249.db2.gz WWGGZULMSQTPRY-QFIPXVFZSA-N 1 2 380.513 4.256 20 0 GIADLO CCOc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc(Cl)c1O ZINC000186680132 822935894 /nfs/dbraw/zinc/93/58/94/822935894.db2.gz VKIYLOGYFPWAEJ-UHFFFAOYSA-N 1 2 395.912 4.139 20 0 GIADLO Cc1c(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cnn1-c1ccc(Cl)cc1 ZINC000569537960 822936605 /nfs/dbraw/zinc/93/66/05/822936605.db2.gz YXFJKOIMKSCHOJ-AWEZNQCLSA-N 1 2 397.910 4.424 20 0 GIADLO Cc1c(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cnn1-c1ccc(Cl)cc1 ZINC000569537960 822936607 /nfs/dbraw/zinc/93/66/07/822936607.db2.gz YXFJKOIMKSCHOJ-AWEZNQCLSA-N 1 2 397.910 4.424 20 0 GIADLO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1nnn(-c3ccc(F)cc3)c1C)CCO2 ZINC000186700324 822940334 /nfs/dbraw/zinc/94/03/34/822940334.db2.gz SHUPYGINTLTLJX-XOBRGWDASA-N 1 2 396.466 4.288 20 0 GIADLO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1nnn(-c3ccc(F)cc3)c1C)CCO2 ZINC000186700304 822940403 /nfs/dbraw/zinc/94/04/03/822940403.db2.gz SHUPYGINTLTLJX-VBKZILBWSA-N 1 2 396.466 4.288 20 0 GIADLO CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000175358213 822945075 /nfs/dbraw/zinc/94/50/75/822945075.db2.gz GOLPKWRXCVGMIT-DLBZAZTESA-N 1 2 388.537 4.148 20 0 GIADLO Cc1nc2ccc(NC(=O)CSCc3cn4cc(C)ccc4[nH+]3)cc2s1 ZINC000055254950 822948132 /nfs/dbraw/zinc/94/81/32/822948132.db2.gz VMQCGSRLRGODAT-UHFFFAOYSA-N 1 2 382.514 4.433 20 0 GIADLO CC1(C)C[C@@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c2ccc(F)cc2O1 ZINC000569687802 822955484 /nfs/dbraw/zinc/95/54/84/822955484.db2.gz RRKGOURHINUAOW-RTBURBONSA-N 1 2 393.462 4.489 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1F ZINC000175450753 822971860 /nfs/dbraw/zinc/97/18/60/822971860.db2.gz VPNQVVAAJPOZHR-GOSISDBHSA-N 1 2 396.384 4.247 20 0 GIADLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1F ZINC000175450753 822971861 /nfs/dbraw/zinc/97/18/61/822971861.db2.gz VPNQVVAAJPOZHR-GOSISDBHSA-N 1 2 396.384 4.247 20 0 GIADLO CC(C)([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1cccc(Cl)c1F ZINC000186891936 822975846 /nfs/dbraw/zinc/97/58/46/822975846.db2.gz IGCHIQZSJKWGTJ-UHFFFAOYSA-N 1 2 391.899 4.291 20 0 GIADLO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2Cc3cccc(Br)c3C2)C1 ZINC000186915416 822979287 /nfs/dbraw/zinc/97/92/87/822979287.db2.gz NBXYJHNNBDMPCH-ZDUSSCGKSA-N 1 2 381.314 4.022 20 0 GIADLO CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2Cc3cccc(Br)c3C2)C1 ZINC000186915416 822979291 /nfs/dbraw/zinc/97/92/91/822979291.db2.gz NBXYJHNNBDMPCH-ZDUSSCGKSA-N 1 2 381.314 4.022 20 0 GIADLO FC(F)(F)c1ccc(-n2nnnc2C[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000186918804 822980183 /nfs/dbraw/zinc/98/01/83/822980183.db2.gz ZDNRLYPECXCEFK-UHFFFAOYSA-N 1 2 393.438 4.122 20 0 GIADLO C[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000569908251 822984301 /nfs/dbraw/zinc/98/43/01/822984301.db2.gz GZKLDZQXAPCPLU-RDTXWAMCSA-N 1 2 393.409 4.067 20 0 GIADLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000175510258 822987143 /nfs/dbraw/zinc/98/71/43/822987143.db2.gz ZATJKYHLIPLMGB-XLIONFOSSA-N 1 2 394.544 4.118 20 0 GIADLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000175510258 822987145 /nfs/dbraw/zinc/98/71/45/822987145.db2.gz ZATJKYHLIPLMGB-XLIONFOSSA-N 1 2 394.544 4.118 20 0 GIADLO CC(C)C[N@H+](Cc1ccc(S(C)(=O)=O)s1)[C@H]1CCCc2cccnc21 ZINC000569939785 822988152 /nfs/dbraw/zinc/98/81/52/822988152.db2.gz PQNQWCPKHACTMJ-KRWDZBQOSA-N 1 2 378.563 4.082 20 0 GIADLO CC(C)C[N@@H+](Cc1ccc(S(C)(=O)=O)s1)[C@H]1CCCc2cccnc21 ZINC000569939785 822988154 /nfs/dbraw/zinc/98/81/54/822988154.db2.gz PQNQWCPKHACTMJ-KRWDZBQOSA-N 1 2 378.563 4.082 20 0 GIADLO COc1cc(Cl)c(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)cc1Cl ZINC000569968704 822990863 /nfs/dbraw/zinc/99/08/63/822990863.db2.gz KWMXTCHVSIWYSU-AWEZNQCLSA-N 1 2 385.291 4.398 20 0 GIADLO COc1cc(Cl)c(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)cc1Cl ZINC000569968704 822990866 /nfs/dbraw/zinc/99/08/66/822990866.db2.gz KWMXTCHVSIWYSU-AWEZNQCLSA-N 1 2 385.291 4.398 20 0 GIADLO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175561395 822997780 /nfs/dbraw/zinc/99/77/80/822997780.db2.gz KDOROSZVGKMHFP-QHCPKHFHSA-N 1 2 390.531 4.403 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000175561440 822997797 /nfs/dbraw/zinc/99/77/97/822997797.db2.gz CPXHMDVDJFZFLV-VGOFRKELSA-N 1 2 392.478 4.363 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c(C)[nH+]1 ZINC000570019821 822997981 /nfs/dbraw/zinc/99/79/81/822997981.db2.gz KZAOXKNOMVEXDC-QGZVFWFLSA-N 1 2 389.297 4.437 20 0 GIADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000570057027 823001506 /nfs/dbraw/zinc/00/15/06/823001506.db2.gz QTNMDFUQFTUSEA-JKSUJKDBSA-N 1 2 381.451 4.184 20 0 GIADLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000570057027 823001509 /nfs/dbraw/zinc/00/15/09/823001509.db2.gz QTNMDFUQFTUSEA-JKSUJKDBSA-N 1 2 381.451 4.184 20 0 GIADLO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ncc(Br)cc2F)cn1 ZINC000187035564 823001635 /nfs/dbraw/zinc/00/16/35/823001635.db2.gz RNYRADLYFCRJQU-LBPRGKRZSA-N 1 2 381.293 4.075 20 0 GIADLO CC[C@@H](C)[C@H](C)N(C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000175584396 823002248 /nfs/dbraw/zinc/00/22/48/823002248.db2.gz HZWIUIDALZYDLD-MSOLQXFVSA-N 1 2 386.584 4.330 20 0 GIADLO CC(C)c1ccc(-c2noc([C@H](c3ccccc3)[NH+]3CCSCC3)n2)cn1 ZINC000570082920 823004375 /nfs/dbraw/zinc/00/43/75/823004375.db2.gz DHDRBQLVLLAISU-IBGZPJMESA-N 1 2 380.517 4.393 20 0 GIADLO Cc1cc(NC(=O)C[NH2+]Cc2ncc(C(C)C)s2)ccc1Br ZINC000570123338 823007936 /nfs/dbraw/zinc/00/79/36/823007936.db2.gz JAPDZKXDFCBJSK-UHFFFAOYSA-N 1 2 382.327 4.066 20 0 GIADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCC1(F)F ZINC000570130959 823008655 /nfs/dbraw/zinc/00/86/55/823008655.db2.gz YQQNCOFDBXDAIC-CQSZACIVSA-N 1 2 380.435 4.034 20 0 GIADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCC1(F)F ZINC000570130959 823008657 /nfs/dbraw/zinc/00/86/57/823008657.db2.gz YQQNCOFDBXDAIC-CQSZACIVSA-N 1 2 380.435 4.034 20 0 GIADLO Cc1ccc(C2(CNC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)CCCC2)c(C)c1 ZINC000570138779 823009530 /nfs/dbraw/zinc/00/95/30/823009530.db2.gz XMYFFQLNPMYYDB-IBGZPJMESA-N 1 2 380.536 4.048 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccccc1OC(F)F ZINC000187106471 823011352 /nfs/dbraw/zinc/01/13/52/823011352.db2.gz XHTUSLCDCSMSFZ-UHFFFAOYSA-N 1 2 389.851 4.025 20 0 GIADLO O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1cccc(-n2cc[nH+]c2)c1 ZINC000570243343 823018306 /nfs/dbraw/zinc/01/83/06/823018306.db2.gz DLZLUAFVYHUJLF-UHFFFAOYSA-N 1 2 379.423 4.439 20 0 GIADLO Cc1ccc(C[S@@](=O)CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)c(C)[nH+]1 ZINC000187216185 823026248 /nfs/dbraw/zinc/02/62/48/823026248.db2.gz AQAUVNZCUNQOKH-NEKDWFFYSA-N 1 2 398.572 4.385 20 0 GIADLO Cc1ccc(C[S@](=O)[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c(C)[nH+]1 ZINC000187222348 823026987 /nfs/dbraw/zinc/02/69/87/823026987.db2.gz SGRWNYROVCWABH-PTFIGZPYSA-N 1 2 389.908 4.336 20 0 GIADLO Clc1cc(Cl)cc(CC[N@@H+]2CCn3c(Cc4ccccc4)nnc3C2)c1 ZINC000570358917 823028794 /nfs/dbraw/zinc/02/87/94/823028794.db2.gz YOTANYYHGXYQHE-UHFFFAOYSA-N 1 2 387.314 4.234 20 0 GIADLO Clc1cc(Cl)cc(CC[N@H+]2CCn3c(Cc4ccccc4)nnc3C2)c1 ZINC000570358917 823028797 /nfs/dbraw/zinc/02/87/97/823028797.db2.gz YOTANYYHGXYQHE-UHFFFAOYSA-N 1 2 387.314 4.234 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000570364919 823029426 /nfs/dbraw/zinc/02/94/26/823029426.db2.gz DCPUHYDSPBOXMX-GXFFZTMASA-N 1 2 389.418 4.219 20 0 GIADLO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1N)c1nccs1 ZINC000187265196 823033010 /nfs/dbraw/zinc/03/30/10/823033010.db2.gz IOZGIASZIOOCJL-ZETCQYMHSA-N 1 2 391.132 4.101 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2cnc3ccsc3c2)no1 ZINC000570434362 823037747 /nfs/dbraw/zinc/03/77/47/823037747.db2.gz PBMMRWAJUYWHNN-UHFFFAOYSA-N 1 2 383.383 4.331 20 0 GIADLO CC(C)Oc1cncc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000177917871 823546084 /nfs/dbraw/zinc/54/60/84/823546084.db2.gz STWJMNFAGBVJKS-UHFFFAOYSA-N 1 2 376.460 4.321 20 0 GIADLO Cc1ccc(C[N@H+](CCc2ccccc2)Cc2ccc(S(C)(=O)=O)o2)s1 ZINC000411119556 823549615 /nfs/dbraw/zinc/54/96/15/823549615.db2.gz KLAPFHQITJCKJH-UHFFFAOYSA-N 1 2 389.542 4.298 20 0 GIADLO Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2ccc(S(C)(=O)=O)o2)s1 ZINC000411119556 823549617 /nfs/dbraw/zinc/54/96/17/823549617.db2.gz KLAPFHQITJCKJH-UHFFFAOYSA-N 1 2 389.542 4.298 20 0 GIADLO CC(C)(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(Cl)cc1F ZINC000190211121 823551276 /nfs/dbraw/zinc/55/12/76/823551276.db2.gz PXVFMFHEIIRBIP-UHFFFAOYSA-N 1 2 399.897 4.360 20 0 GIADLO Fc1c(F)c(C[N@H+](C[C@H]2CCOC2)C2CC2)c(F)c(F)c1Br ZINC000411170484 823553964 /nfs/dbraw/zinc/55/39/64/823553964.db2.gz XEULPJFAXNIMQP-MRVPVSSYSA-N 1 2 382.195 4.006 20 0 GIADLO Fc1c(F)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(F)c(F)c1Br ZINC000411170484 823553967 /nfs/dbraw/zinc/55/39/67/823553967.db2.gz XEULPJFAXNIMQP-MRVPVSSYSA-N 1 2 382.195 4.006 20 0 GIADLO CCOC(=O)C1CC[NH+](Cn2c(C)c(C)n(C3CCCCC3)c2=S)CC1 ZINC000060733822 823554459 /nfs/dbraw/zinc/55/44/59/823554459.db2.gz NYTRNZYZENMQEV-UHFFFAOYSA-N 1 2 379.570 4.374 20 0 GIADLO CCOCc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000123953884 823554852 /nfs/dbraw/zinc/55/48/52/823554852.db2.gz XAKNDXVBFSWFSI-VXKWHMMOSA-N 1 2 390.487 4.470 20 0 GIADLO CCN(C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@@H](C)c1cc2ccccc2o1 ZINC000411191767 823555955 /nfs/dbraw/zinc/55/59/55/823555955.db2.gz WQGZYHVSMHJREY-INIZCTEOSA-N 1 2 379.460 4.301 20 0 GIADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411198770 823556511 /nfs/dbraw/zinc/55/65/11/823556511.db2.gz XPFPTNNOKRRPBH-UHFFFAOYSA-N 1 2 394.302 4.301 20 0 GIADLO C[C@H]1[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1(F)F ZINC000460999726 823557396 /nfs/dbraw/zinc/55/73/96/823557396.db2.gz JPTGIQXWWPYRLA-YWZLYKJASA-N 1 2 381.426 4.116 20 0 GIADLO c1nc(N2CCOCC2)sc1CNc1[nH+]c2ccccc2n1C1CCCCC1 ZINC000124025407 823561015 /nfs/dbraw/zinc/56/10/15/823561015.db2.gz INAOXXTWLZXRLV-UHFFFAOYSA-N 1 2 397.548 4.447 20 0 GIADLO CCO[C@@H](C)c1nc(CN2CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)cs1 ZINC000411302687 823563522 /nfs/dbraw/zinc/56/35/22/823563522.db2.gz ZGNUWMZVTYOCRA-RYGJVYDSSA-N 1 2 389.540 4.053 20 0 GIADLO C[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000124055760 823563704 /nfs/dbraw/zinc/56/37/04/823563704.db2.gz OMORTDYKVOSHPM-PBHICJAKSA-N 1 2 396.318 4.459 20 0 GIADLO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000124077691 823565665 /nfs/dbraw/zinc/56/56/65/823565665.db2.gz BLGNDDYYIRCCSZ-CYBMUJFWSA-N 1 2 385.489 4.082 20 0 GIADLO CC(C)(CC(F)F)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000411404706 823570792 /nfs/dbraw/zinc/57/07/92/823570792.db2.gz YVSXQIKQIHONAZ-AWEZNQCLSA-N 1 2 376.850 4.414 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](C/C=C/c4ccccc4)CC3)o2)cc1 ZINC000060992924 823571754 /nfs/dbraw/zinc/57/17/54/823571754.db2.gz JZZJANFGEFPLLL-AQDCRGGLSA-N 1 2 388.515 4.437 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000190435717 823573537 /nfs/dbraw/zinc/57/35/37/823573537.db2.gz MUACBFWQWYGAMA-UHFFFAOYSA-N 1 2 397.548 4.437 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000461106306 823578659 /nfs/dbraw/zinc/57/86/59/823578659.db2.gz GLGQBTDHRPPZMM-ZDUSSCGKSA-N 1 2 381.307 4.168 20 0 GIADLO CCCO[C@H]1CCCN(c2cc(N3CCC[C@H](OCCC)CC3)[nH+]cn2)CC1 ZINC000124225633 823579059 /nfs/dbraw/zinc/57/90/59/823579059.db2.gz PJDXUGDOOIHLDX-PMACEKPBSA-N 1 2 390.572 4.048 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](CC(F)(F)F)c2ccccc2C)c(C)[nH+]1 ZINC000411477193 823579411 /nfs/dbraw/zinc/57/94/11/823579411.db2.gz WFVGBGSRCSWUGT-MRXNPFEDSA-N 1 2 393.409 4.064 20 0 GIADLO C[C@H]1CCN(C(=O)CCCCc2nc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000124256065 823581518 /nfs/dbraw/zinc/58/15/18/823581518.db2.gz HKVPRCLTBFAALC-WMZOPIPTSA-N 1 2 382.533 4.315 20 0 GIADLO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000411515157 823583225 /nfs/dbraw/zinc/58/32/25/823583225.db2.gz HMXNHKOJBHPWDY-CHWSQXEVSA-N 1 2 387.402 4.147 20 0 GIADLO C[C@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)c1nc(C2CCCCC2)no1 ZINC000411527913 823584891 /nfs/dbraw/zinc/58/48/91/823584891.db2.gz FJKRRJQSINNSHP-LBPRGKRZSA-N 1 2 378.423 4.075 20 0 GIADLO C[C@@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)c1nc(C2CCCCC2)no1 ZINC000411527908 823584986 /nfs/dbraw/zinc/58/49/86/823584986.db2.gz FJKRRJQSINNSHP-GFCCVEGCSA-N 1 2 378.423 4.075 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000190553006 823585561 /nfs/dbraw/zinc/58/55/61/823585561.db2.gz LHGXOLAVWVPCML-KKSFZXQISA-N 1 2 386.515 4.330 20 0 GIADLO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1nc(C2CCCCC2)no1 ZINC000411540707 823586669 /nfs/dbraw/zinc/58/66/69/823586669.db2.gz WZUDCRNPTSSIFZ-CQSZACIVSA-N 1 2 390.915 4.128 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)c(C)[nH+]1 ZINC000411572730 823588684 /nfs/dbraw/zinc/58/86/84/823588684.db2.gz JBKMZXHOBFQZOP-SFHVURJKSA-N 1 2 389.858 4.005 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000190604121 823590678 /nfs/dbraw/zinc/59/06/78/823590678.db2.gz MQSFGBFNCDTPNR-UHFFFAOYSA-N 1 2 391.519 4.129 20 0 GIADLO Brc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000190781262 823608125 /nfs/dbraw/zinc/60/81/25/823608125.db2.gz RYUJQTWKPVAJDC-INIZCTEOSA-N 1 2 385.265 4.231 20 0 GIADLO Brc1ccccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000190781262 823608126 /nfs/dbraw/zinc/60/81/26/823608126.db2.gz RYUJQTWKPVAJDC-INIZCTEOSA-N 1 2 385.265 4.231 20 0 GIADLO Cc1onc2c1c(-c1ccccc1)nn(C[N@@H+](CC(C)C)CC(C)(C)C)c2=O ZINC000124583993 823608558 /nfs/dbraw/zinc/60/85/58/823608558.db2.gz OFRPNRNFTIRIFT-UHFFFAOYSA-N 1 2 382.508 4.322 20 0 GIADLO Cc1onc2c1c(-c1ccccc1)nn(C[N@H+](CC(C)C)CC(C)(C)C)c2=O ZINC000124583993 823608559 /nfs/dbraw/zinc/60/85/59/823608559.db2.gz OFRPNRNFTIRIFT-UHFFFAOYSA-N 1 2 382.508 4.322 20 0 GIADLO Brc1ccccc1-c1noc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000190784508 823608652 /nfs/dbraw/zinc/60/86/52/823608652.db2.gz CGNDIACWXWYANL-MRXNPFEDSA-N 1 2 385.265 4.231 20 0 GIADLO Brc1ccccc1-c1noc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000190784508 823608653 /nfs/dbraw/zinc/60/86/53/823608653.db2.gz CGNDIACWXWYANL-MRXNPFEDSA-N 1 2 385.265 4.231 20 0 GIADLO Brc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000190789081 823609168 /nfs/dbraw/zinc/60/91/68/823609168.db2.gz JHTJKTQBRXJLJM-INIZCTEOSA-N 1 2 385.265 4.231 20 0 GIADLO Brc1ccccc1-c1noc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000190789081 823609169 /nfs/dbraw/zinc/60/91/69/823609169.db2.gz JHTJKTQBRXJLJM-INIZCTEOSA-N 1 2 385.265 4.231 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2scc(C)c2Br)c1C ZINC000190907995 823622859 /nfs/dbraw/zinc/62/28/59/823622859.db2.gz ZJHSJXWQSONTCO-UHFFFAOYSA-N 1 2 383.311 4.112 20 0 GIADLO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000411955242 823616314 /nfs/dbraw/zinc/61/63/14/823616314.db2.gz VKBYGIRQEWGOKV-UYAOXDASSA-N 1 2 384.476 4.169 20 0 GIADLO O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000411955242 823616316 /nfs/dbraw/zinc/61/63/16/823616316.db2.gz VKBYGIRQEWGOKV-UYAOXDASSA-N 1 2 384.476 4.169 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC1CCC(c2ccccc2)CC1 ZINC000061913547 823618264 /nfs/dbraw/zinc/61/82/64/823618264.db2.gz SHIQXVLLAAVBCS-UHFFFAOYSA-N 1 2 388.515 4.457 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(F)c1 ZINC000412002955 823620895 /nfs/dbraw/zinc/62/08/95/823620895.db2.gz VPTJQGIRSGGPHT-DYESRHJHSA-N 1 2 382.479 4.315 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(F)c1 ZINC000412002955 823620896 /nfs/dbraw/zinc/62/08/96/823620896.db2.gz VPTJQGIRSGGPHT-DYESRHJHSA-N 1 2 382.479 4.315 20 0 GIADLO Cc1ccc(Cc2cnc(NC(=O)NCCCn3cc[nH+]c3)s2)cc1Cl ZINC000124768991 823624659 /nfs/dbraw/zinc/62/46/59/823624659.db2.gz BXPQCSDGHZEKGY-UHFFFAOYSA-N 1 2 389.912 4.104 20 0 GIADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412059327 823624797 /nfs/dbraw/zinc/62/47/97/823624797.db2.gz CFDMHQDYIFWKHP-LSDHHAIUSA-N 1 2 396.478 4.126 20 0 GIADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412059327 823624799 /nfs/dbraw/zinc/62/47/99/823624799.db2.gz CFDMHQDYIFWKHP-LSDHHAIUSA-N 1 2 396.478 4.126 20 0 GIADLO CN1CC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)Cc2ccccc21 ZINC000461400222 823629663 /nfs/dbraw/zinc/62/96/63/823629663.db2.gz HVWYYFUXLZFZSO-UHFFFAOYSA-N 1 2 380.517 4.129 20 0 GIADLO CN1CC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)Cc2ccccc21 ZINC000461400222 823629665 /nfs/dbraw/zinc/62/96/65/823629665.db2.gz HVWYYFUXLZFZSO-UHFFFAOYSA-N 1 2 380.517 4.129 20 0 GIADLO COc1ccc2oc(C[NH2+][C@@H](c3nc(-c4cccnc4)no3)C(C)C)cc2c1 ZINC000124881430 823633591 /nfs/dbraw/zinc/63/35/91/823633591.db2.gz ZFXKSDLUYKGCLU-LJQANCHMSA-N 1 2 378.432 4.373 20 0 GIADLO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000412190989 823634171 /nfs/dbraw/zinc/63/41/71/823634171.db2.gz XSFWPEDFMKGFSP-IIDMSEBBSA-N 1 2 395.425 4.070 20 0 GIADLO C[C@@H]1CN(c2ccc([NH2+]C3CCN(C(=O)CC(C)(C)C)CC3)cc2)C[C@H](C)O1 ZINC000124900250 823635079 /nfs/dbraw/zinc/63/50/79/823635079.db2.gz ZTDZUMQOFGIIAJ-HDICACEKSA-N 1 2 387.568 4.139 20 0 GIADLO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000124903085 823635465 /nfs/dbraw/zinc/63/54/65/823635465.db2.gz WQHLTVRYMSJGLP-AAEUAGOBSA-N 1 2 397.306 4.095 20 0 GIADLO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000124903085 823635466 /nfs/dbraw/zinc/63/54/66/823635466.db2.gz WQHLTVRYMSJGLP-AAEUAGOBSA-N 1 2 397.306 4.095 20 0 GIADLO COc1cc(Cl)c(F)c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000412253535 823640176 /nfs/dbraw/zinc/64/01/76/823640176.db2.gz XOYZHVOJVYRANM-UHFFFAOYSA-N 1 2 379.863 4.017 20 0 GIADLO O=C(C[C@H](c1ccc(O)cc1)C1CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000412256189 823640351 /nfs/dbraw/zinc/64/03/51/823640351.db2.gz ZVJBFMYGGKKOFZ-QFIPXVFZSA-N 1 2 381.520 4.191 20 0 GIADLO Cc1cnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(Br)c1 ZINC000191085350 823646797 /nfs/dbraw/zinc/64/67/97/823646797.db2.gz RXHMCKWKDNNODM-UHFFFAOYSA-N 1 2 397.320 4.154 20 0 GIADLO CC(C)C[C@@H]1NC(=O)N(C[N@H+]([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)C1=O ZINC000063124951 823652010 /nfs/dbraw/zinc/65/20/10/823652010.db2.gz WUGHAYQNIDHBMG-GUYCJALGSA-N 1 2 397.441 4.155 20 0 GIADLO CC(C)C[C@@H]1NC(=O)N(C[N@@H+]([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)C1=O ZINC000063124951 823652011 /nfs/dbraw/zinc/65/20/11/823652011.db2.gz WUGHAYQNIDHBMG-GUYCJALGSA-N 1 2 397.441 4.155 20 0 GIADLO C[C@H](c1nnc(SC[C@H](O)CC2CCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191240293 823662344 /nfs/dbraw/zinc/66/23/44/823662344.db2.gz LOSMABIRZDCGSI-RDTXWAMCSA-N 1 2 392.544 4.062 20 0 GIADLO C[C@H](c1nnc(SC[C@H](O)C2CCCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191240357 823662353 /nfs/dbraw/zinc/66/23/53/823662353.db2.gz LFTCKFFKGAOVGH-KDOFPFPSSA-N 1 2 392.544 4.062 20 0 GIADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(N2CCCC2=O)ccc1Cl ZINC000125251756 823662452 /nfs/dbraw/zinc/66/24/52/823662452.db2.gz NFAJSOFDJCTIQB-UHFFFAOYSA-N 1 2 380.835 4.109 20 0 GIADLO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000191279418 823666743 /nfs/dbraw/zinc/66/67/43/823666743.db2.gz XTLQOTHFAAJKDY-XHDPSFHLSA-N 1 2 383.279 4.314 20 0 GIADLO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125309315 823666742 /nfs/dbraw/zinc/66/67/42/823666742.db2.gz RILQLPQBGVSJTF-LAUBAEHRSA-N 1 2 392.478 4.158 20 0 GIADLO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)NCCNc3cccc[nH+]3)c2)C1 ZINC000063398842 823668059 /nfs/dbraw/zinc/66/80/59/823668059.db2.gz RGOPUBSQWNHBEZ-XLIONFOSSA-N 1 2 382.508 4.411 20 0 GIADLO Cc1cc(N2CCSCC2)ccc1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000125327125 823668262 /nfs/dbraw/zinc/66/82/62/823668262.db2.gz YBHGLNWBGYVERC-UHFFFAOYSA-N 1 2 391.581 4.360 20 0 GIADLO CC(C)(C)[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(c3ccncc3)CC2)C1 ZINC000191297667 823668608 /nfs/dbraw/zinc/66/86/08/823668608.db2.gz GNXYGKLTWXQOOU-GOSISDBHSA-N 1 2 385.577 4.293 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NCC1(c2ccccc2Cl)CC1 ZINC000125458251 823677724 /nfs/dbraw/zinc/67/77/24/823677724.db2.gz KKNOHNPQSJCNPS-UHFFFAOYSA-N 1 2 394.906 4.116 20 0 GIADLO CCCOc1ncccc1C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000063579081 823680718 /nfs/dbraw/zinc/68/07/18/823680718.db2.gz VFHXPWBBTKEIIB-UHFFFAOYSA-N 1 2 388.874 4.447 20 0 GIADLO Cc1cccc([C@H](O)C[N@H+](Cc2cn(C(C)(C)C)nn2)Cc2ccccc2)c1 ZINC000191432457 823684569 /nfs/dbraw/zinc/68/45/69/823684569.db2.gz CSGXZDPLBYISQC-JOCHJYFZSA-N 1 2 378.520 4.077 20 0 GIADLO Cc1cccc([C@H](O)C[N@@H+](Cc2cn(C(C)(C)C)nn2)Cc2ccccc2)c1 ZINC000191432457 823684570 /nfs/dbraw/zinc/68/45/70/823684570.db2.gz CSGXZDPLBYISQC-JOCHJYFZSA-N 1 2 378.520 4.077 20 0 GIADLO O=C(C[NH+]1CCC(OC2CCCCC2)CC1)Nc1ccccc1OC(F)F ZINC000125627604 823691380 /nfs/dbraw/zinc/69/13/80/823691380.db2.gz PSEOOXYRLACCMA-UHFFFAOYSA-N 1 2 382.451 4.040 20 0 GIADLO CC1(C)CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c2ccccc21 ZINC000063787019 823695870 /nfs/dbraw/zinc/69/58/70/823695870.db2.gz ISWNLCUAPRXQOJ-HXUWFJFHSA-N 1 2 378.520 4.294 20 0 GIADLO CC(C)OC1CC(Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)C1 ZINC000412979197 823696318 /nfs/dbraw/zinc/69/63/18/823696318.db2.gz CCZBINZTPBGAKD-UHFFFAOYSA-N 1 2 386.565 4.301 20 0 GIADLO CC(C)OC1CC(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)C1 ZINC000412978716 823696343 /nfs/dbraw/zinc/69/63/43/823696343.db2.gz BNHIQFGHJZQBSQ-NVPAJSRCSA-N 1 2 378.517 4.077 20 0 GIADLO O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000191539345 823697529 /nfs/dbraw/zinc/69/75/29/823697529.db2.gz RYXSCDABSXEHST-GFCCVEGCSA-N 1 2 387.270 4.453 20 0 GIADLO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000191568157 823701272 /nfs/dbraw/zinc/70/12/72/823701272.db2.gz SOAORTXJZJQJMT-ZIAGYGMSSA-N 1 2 392.931 4.108 20 0 GIADLO CCOc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc(Cl)c1O ZINC000574332240 823704017 /nfs/dbraw/zinc/70/40/17/823704017.db2.gz TWGLDALMSVRKEE-INIZCTEOSA-N 1 2 397.302 4.130 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000191583784 823704384 /nfs/dbraw/zinc/70/43/84/823704384.db2.gz ITKFJJKZTNRVRZ-OLZOCXBDSA-N 1 2 392.887 4.014 20 0 GIADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000191583745 823704471 /nfs/dbraw/zinc/70/44/71/823704471.db2.gz ITKFJJKZTNRVRZ-QWHCGFSZSA-N 1 2 392.887 4.014 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(OC4CCCCC4)cc3)[nH+]cn2)C1 ZINC000413097216 823706350 /nfs/dbraw/zinc/70/63/50/823706350.db2.gz BFUAQDGAQIWNFH-IEBWSBKVSA-N 1 2 396.535 4.007 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(OC4CCCCC4)cc3)nc[nH+]2)C1 ZINC000413097216 823706353 /nfs/dbraw/zinc/70/63/53/823706353.db2.gz BFUAQDGAQIWNFH-IEBWSBKVSA-N 1 2 396.535 4.007 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3cc(Cl)ccc3Cl)[nH+]cn2)C1 ZINC000413098944 823706689 /nfs/dbraw/zinc/70/66/89/823706689.db2.gz QRUBXFXCMYQERW-XQQFMLRXSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3cc(Cl)ccc3Cl)nc[nH+]2)C1 ZINC000413098944 823706690 /nfs/dbraw/zinc/70/66/90/823706690.db2.gz QRUBXFXCMYQERW-XQQFMLRXSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nc(Cc2ccccc2)no1 ZINC000191596102 823707087 /nfs/dbraw/zinc/70/70/87/823707087.db2.gz JOYHZCGZMRCQQE-CQSZACIVSA-N 1 2 377.423 4.040 20 0 GIADLO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191597207 823707358 /nfs/dbraw/zinc/70/73/58/823707358.db2.gz NLBLQLRUAMYSBT-IAGOWNOFSA-N 1 2 392.503 4.291 20 0 GIADLO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)c(C)c1 ZINC000191603291 823709925 /nfs/dbraw/zinc/70/99/25/823709925.db2.gz LMYPUHBVVCEWSL-ROUUACIJSA-N 1 2 392.503 4.345 20 0 GIADLO COc1c(-c2noc(-c3cc(C)ccc3-n3cc[nH+]c3)n2)cnc2ccccc21 ZINC000574365170 823709967 /nfs/dbraw/zinc/70/99/67/823709967.db2.gz WPYZGXBDWDOKRH-UHFFFAOYSA-N 1 2 383.411 4.455 20 0 GIADLO C[C@H]1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000125801977 823714448 /nfs/dbraw/zinc/71/44/48/823714448.db2.gz BPSBJGGMSBOGPT-MAUKXSAKSA-N 1 2 391.437 4.433 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(Br)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000125862460 823731609 /nfs/dbraw/zinc/73/16/09/823731609.db2.gz PDISVSKLRSQFOP-ABAIWWIYSA-N 1 2 382.689 4.022 20 0 GIADLO C[C@H]1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)C[C@@H]1n1cc[nH+]c1 ZINC000125870812 823733424 /nfs/dbraw/zinc/73/34/24/823733424.db2.gz JSFHQWRPGHVQOI-GUYCJALGSA-N 1 2 386.908 4.383 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N(Cc1c(F)cccc1F)C1CC1 ZINC000191693218 823736902 /nfs/dbraw/zinc/73/69/02/823736902.db2.gz JWQPWDBKDJSBHE-UHFFFAOYSA-N 1 2 382.414 4.025 20 0 GIADLO CC(C)COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000125902429 823740557 /nfs/dbraw/zinc/74/05/57/823740557.db2.gz YSCBGVRXULLHKX-KRWDZBQOSA-N 1 2 375.534 4.318 20 0 GIADLO CC(C)COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000125902429 823740565 /nfs/dbraw/zinc/74/05/65/823740565.db2.gz YSCBGVRXULLHKX-KRWDZBQOSA-N 1 2 375.534 4.318 20 0 GIADLO C[C@@H](Nc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1)c1ccc(Cl)cc1Cl ZINC000413267886 823741567 /nfs/dbraw/zinc/74/15/67/823741567.db2.gz QCHHXBHHSXMFIS-AGIUHOORSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](Nc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1)c1ccc(Cl)cc1Cl ZINC000413267886 823741573 /nfs/dbraw/zinc/74/15/73/823741573.db2.gz QCHHXBHHSXMFIS-AGIUHOORSA-N 1 2 381.307 4.164 20 0 GIADLO CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000461895242 823742277 /nfs/dbraw/zinc/74/22/77/823742277.db2.gz OSSLZMRZJGEJMZ-OAQYLSRUSA-N 1 2 397.906 4.305 20 0 GIADLO CC(C)Oc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574501311 823749527 /nfs/dbraw/zinc/74/95/27/823749527.db2.gz RROITJDVQJPNJQ-LJQANCHMSA-N 1 2 396.535 4.096 20 0 GIADLO Cc1ccccc1NC(=O)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125944023 823750168 /nfs/dbraw/zinc/75/01/68/823750168.db2.gz OZWBFOBDWFZWSV-HSZRJFAPSA-N 1 2 384.483 4.199 20 0 GIADLO Cc1cccc(NC(=O)C[NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)c1 ZINC000125972867 823757325 /nfs/dbraw/zinc/75/73/25/823757325.db2.gz YOBSEZGSFPYVPI-HSZRJFAPSA-N 1 2 384.483 4.199 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1C ZINC000126017285 823767422 /nfs/dbraw/zinc/76/74/22/823767422.db2.gz FCSCYZGLPPOOSK-HUUCEWRRSA-N 1 2 394.393 4.026 20 0 GIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)CC(F)(F)F)c(C)c1 ZINC000413398898 823768185 /nfs/dbraw/zinc/76/81/85/823768185.db2.gz LAYPMIDWYPPSSH-PBHICJAKSA-N 1 2 382.430 4.129 20 0 GIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)CC(F)(F)F)c(C)c1 ZINC000413398905 823768219 /nfs/dbraw/zinc/76/82/19/823768219.db2.gz LAYPMIDWYPPSSH-WMLDXEAASA-N 1 2 382.430 4.129 20 0 GIADLO CCN(Cc1occc1C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000413399916 823768887 /nfs/dbraw/zinc/76/88/87/823768887.db2.gz LSQSYHKIRKDVFH-FQEVSTJZSA-N 1 2 380.492 4.374 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCSCC[C@@H]2C)cs1)c1ccc(F)cc1 ZINC000191814526 823779231 /nfs/dbraw/zinc/77/92/31/823779231.db2.gz VDXSFLUPCLDHHW-ZDUSSCGKSA-N 1 2 379.526 4.294 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCSCC[C@@H]2C)cs1)c1ccc(F)cc1 ZINC000191814526 823779236 /nfs/dbraw/zinc/77/92/36/823779236.db2.gz VDXSFLUPCLDHHW-ZDUSSCGKSA-N 1 2 379.526 4.294 20 0 GIADLO C[C@@]1(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C[C@H]1c1ccccc1 ZINC000574609828 823780180 /nfs/dbraw/zinc/78/01/80/823780180.db2.gz KNEHXADYRQSZDB-PTLVVNQVSA-N 1 2 392.547 4.302 20 0 GIADLO O=C(Nc1cc(Cl)cc(Br)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000574613765 823781869 /nfs/dbraw/zinc/78/18/69/823781869.db2.gz ONEVBYWXUARPAJ-OAHLLOKOSA-N 1 2 396.672 4.183 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N3CCC(c4ccncn4)CC3)c12 ZINC000413471811 823784215 /nfs/dbraw/zinc/78/42/15/823784215.db2.gz QYBLTGWGJKQDSL-UHFFFAOYSA-N 1 2 387.256 4.310 20 0 GIADLO COc1ccccc1[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)N1CCCCC1 ZINC000126092183 823784722 /nfs/dbraw/zinc/78/47/22/823784722.db2.gz KZPGRUYDURWZHF-JTHBVZDNSA-N 1 2 390.531 4.325 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(F)c(SC)c1 ZINC000164215762 823786578 /nfs/dbraw/zinc/78/65/78/823786578.db2.gz DCYNXXJSEPKQGM-UHFFFAOYSA-N 1 2 387.524 4.321 20 0 GIADLO C[C@@H]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC12CCCCC2 ZINC000462003454 823791183 /nfs/dbraw/zinc/79/11/83/823791183.db2.gz GLJKRXHYYMLZRQ-LJQANCHMSA-N 1 2 380.536 4.433 20 0 GIADLO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ncc(-c2ccccc2)o1 ZINC000574658400 823792522 /nfs/dbraw/zinc/79/25/22/823792522.db2.gz WURZYWWKEFYRTP-FPSMJMQUSA-N 1 2 397.425 4.242 20 0 GIADLO C[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000462008105 823792872 /nfs/dbraw/zinc/79/28/72/823792872.db2.gz HGDVAVJYRDYIDT-UZLBHIALSA-N 1 2 377.513 4.262 20 0 GIADLO C[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000462008105 823792876 /nfs/dbraw/zinc/79/28/76/823792876.db2.gz HGDVAVJYRDYIDT-UZLBHIALSA-N 1 2 377.513 4.262 20 0 GIADLO CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1(CC)CC ZINC000462011092 823793602 /nfs/dbraw/zinc/79/36/02/823793602.db2.gz TZONCWITWHAPNA-NHCUHLMSSA-N 1 2 398.551 4.057 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000126153892 823800848 /nfs/dbraw/zinc/80/08/48/823800848.db2.gz MZARWASLNJUZDN-GHTZIAJQSA-N 1 2 381.520 4.154 20 0 GIADLO CC(C)c1ccc(C[C@H](C)NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000126159503 823802690 /nfs/dbraw/zinc/80/26/90/823802690.db2.gz USFFKRFRXDLDJR-SFHVURJKSA-N 1 2 380.536 4.104 20 0 GIADLO COC[C@H](C)[C@H](C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000462033036 823804206 /nfs/dbraw/zinc/80/42/06/823804206.db2.gz QOVFLXBXVHXBSS-OALUTQOASA-N 1 2 391.515 4.133 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(OC)ccc1OC(C)C ZINC000191891622 823805147 /nfs/dbraw/zinc/80/51/47/823805147.db2.gz MYDDYTWYEWTEOV-UHFFFAOYSA-N 1 2 388.512 4.185 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000191909734 823810029 /nfs/dbraw/zinc/81/00/29/823810029.db2.gz HEXNHAPYCCALAB-UHFFFAOYSA-N 1 2 388.487 4.460 20 0 GIADLO CC(C)c1ccc([C@@H]2CCCN2c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)cc1 ZINC000574738219 823814684 /nfs/dbraw/zinc/81/46/84/823814684.db2.gz UPGNCGYIIVOYOA-WMQCIHAUSA-N 1 2 380.536 4.149 20 0 GIADLO CC(C)c1ccc([C@@H]2CCCN2c2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)cc1 ZINC000574738219 823814694 /nfs/dbraw/zinc/81/46/94/823814694.db2.gz UPGNCGYIIVOYOA-WMQCIHAUSA-N 1 2 380.536 4.149 20 0 GIADLO Cc1cccc([C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccccn2)c1 ZINC000126220908 823815160 /nfs/dbraw/zinc/81/51/60/823815160.db2.gz OSRNXZACPYSIAS-QHCPKHFHSA-N 1 2 397.482 4.165 20 0 GIADLO O=C(CCc1[nH]cc[nH+]1)NC1(c2cccc(Br)c2)CCCCC1 ZINC000574748281 823817720 /nfs/dbraw/zinc/81/77/20/823817720.db2.gz GXTXWIZODSPHJE-UHFFFAOYSA-N 1 2 376.298 4.081 20 0 GIADLO Cc1sc(-c2ccco2)nc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126267880 823825134 /nfs/dbraw/zinc/82/51/34/823825134.db2.gz NLOSFGCYUCPOOG-UHFFFAOYSA-N 1 2 397.500 4.104 20 0 GIADLO c1cn(Cc2cccc(-c3noc(CCSCc4ccccc4)n3)c2)c[nH+]1 ZINC000574796123 823828875 /nfs/dbraw/zinc/82/88/75/823828875.db2.gz ZZTUKLUDGDBXLJ-UHFFFAOYSA-N 1 2 376.485 4.457 20 0 GIADLO Cc1csc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1Br ZINC000192034588 823839034 /nfs/dbraw/zinc/83/90/34/823839034.db2.gz OODWMAAQINLWQQ-UHFFFAOYSA-N 1 2 394.269 4.074 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1sccc1SC(F)F ZINC000126337341 823842777 /nfs/dbraw/zinc/84/27/77/823842777.db2.gz CWQIUKOXNRCLIS-UHFFFAOYSA-N 1 2 398.500 4.456 20 0 GIADLO COc1ccc2oc(C)c(C(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)c2c1 ZINC000126341020 823843712 /nfs/dbraw/zinc/84/37/12/823843712.db2.gz YMSBRSSLEGORMK-UHFFFAOYSA-N 1 2 394.471 4.143 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(Cl)cc2cccnc21 ZINC000126341777 823843873 /nfs/dbraw/zinc/84/38/73/823843873.db2.gz DYEIOYHMLGJDQE-UHFFFAOYSA-N 1 2 395.890 4.281 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192049845 823844359 /nfs/dbraw/zinc/84/43/59/823844359.db2.gz DVBPMHNSMOMXOR-WIYYLYMNSA-N 1 2 383.879 4.242 20 0 GIADLO Cc1sc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nc1C(C)C ZINC000462158501 823848373 /nfs/dbraw/zinc/84/83/73/823848373.db2.gz LYKKEDFEXADMDH-AWEZNQCLSA-N 1 2 392.594 4.225 20 0 GIADLO Cc1ccc2c(CC(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)coc2c1C ZINC000126361061 823848680 /nfs/dbraw/zinc/84/86/80/823848680.db2.gz IPBJQGIXZRRWGV-UHFFFAOYSA-N 1 2 392.499 4.371 20 0 GIADLO Cn1c[nH+]cc1CNC(=O)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000462167539 823851439 /nfs/dbraw/zinc/85/14/39/823851439.db2.gz WCWPJSHAPUOWTL-QGZVFWFLSA-N 1 2 380.414 4.266 20 0 GIADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000574885310 823851544 /nfs/dbraw/zinc/85/15/44/823851544.db2.gz NSNMYYYVKJMIQJ-ZRXZBVFWSA-N 1 2 375.516 4.215 20 0 GIADLO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192085467 823855126 /nfs/dbraw/zinc/85/51/26/823855126.db2.gz OWSNGAJCWBPRSF-BJOOFOGMSA-N 1 2 397.878 4.216 20 0 GIADLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000574907659 823858391 /nfs/dbraw/zinc/85/83/91/823858391.db2.gz BFKZGOXTRZHRRZ-AWEZNQCLSA-N 1 2 388.464 4.125 20 0 GIADLO O=c1cc(C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)nc2ccccn12 ZINC000574921597 823860544 /nfs/dbraw/zinc/86/05/44/823860544.db2.gz HBUFITWCKLXOAL-GFCCVEGCSA-N 1 2 380.300 4.230 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCC[C@H](COC)C2)cs1 ZINC000165850628 823864279 /nfs/dbraw/zinc/86/42/79/823864279.db2.gz ROLBEILHBLFDJQ-KRWDZBQOSA-N 1 2 387.549 4.249 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCC[C@H](COC)C2)cs1 ZINC000165850628 823864283 /nfs/dbraw/zinc/86/42/83/823864283.db2.gz ROLBEILHBLFDJQ-KRWDZBQOSA-N 1 2 387.549 4.249 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H](COC)C2)cs1 ZINC000165850756 823864399 /nfs/dbraw/zinc/86/43/99/823864399.db2.gz ROLBEILHBLFDJQ-QGZVFWFLSA-N 1 2 387.549 4.249 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCC[C@@H](COC)C2)cs1 ZINC000165850756 823864401 /nfs/dbraw/zinc/86/44/01/823864401.db2.gz ROLBEILHBLFDJQ-QGZVFWFLSA-N 1 2 387.549 4.249 20 0 GIADLO C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1cccc(F)c1F ZINC000165912019 823865778 /nfs/dbraw/zinc/86/57/78/823865778.db2.gz PNOAGOZETFTPQU-JBYOLUDKSA-N 1 2 396.441 4.450 20 0 GIADLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2csc(N(C(C)=O)c3ccccc3)n2)C1(C)C ZINC000166013919 823868396 /nfs/dbraw/zinc/86/83/96/823868396.db2.gz RTYYYLKPYVVOTP-RBUKOAKNSA-N 1 2 387.549 4.463 20 0 GIADLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2csc(N(C(C)=O)c3ccccc3)n2)C1(C)C ZINC000166013919 823868399 /nfs/dbraw/zinc/86/83/99/823868399.db2.gz RTYYYLKPYVVOTP-RBUKOAKNSA-N 1 2 387.549 4.463 20 0 GIADLO CC1(c2ccccc2)CCC(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000574948213 823868918 /nfs/dbraw/zinc/86/89/18/823868918.db2.gz MERJFRIJHFGOPA-UHFFFAOYSA-N 1 2 387.527 4.491 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cs1)c1c(C)cc(C)cc1C ZINC000166373975 823877073 /nfs/dbraw/zinc/87/70/73/823877073.db2.gz WHKSPOYTNZPMLL-JOCHJYFZSA-N 1 2 399.560 4.365 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@]3(CCOC3)C2)cs1)c1c(C)cc(C)cc1C ZINC000166373975 823877078 /nfs/dbraw/zinc/87/70/78/823877078.db2.gz WHKSPOYTNZPMLL-JOCHJYFZSA-N 1 2 399.560 4.365 20 0 GIADLO CC1(C)C[C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c2ccc(F)cc2O1 ZINC000574978344 823878591 /nfs/dbraw/zinc/87/85/91/823878591.db2.gz CQHSYHHSYPTYQZ-LJQANCHMSA-N 1 2 379.435 4.103 20 0 GIADLO COc1ccc2c(c1)CN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H](C1CCCCC1)C2 ZINC000574992566 823881303 /nfs/dbraw/zinc/88/13/03/823881303.db2.gz PEYZPWOQEFQQOO-VGSWGCGISA-N 1 2 381.520 4.377 20 0 GIADLO O=C(NCC(F)(F)c1ccccc1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000462227034 823882132 /nfs/dbraw/zinc/88/21/32/823882132.db2.gz SEKMXSHCSRJJQQ-PMACEKPBSA-N 1 2 396.441 4.203 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000462229797 823883687 /nfs/dbraw/zinc/88/36/87/823883687.db2.gz GJWURAXSGIKIQY-CYBMUJFWSA-N 1 2 394.338 4.421 20 0 GIADLO CCc1ccc(-c2nc(CC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cs2)cc1 ZINC000126507069 823886721 /nfs/dbraw/zinc/88/67/21/823886721.db2.gz GYNCTLVGFDLQEP-OXQOHEQNSA-N 1 2 394.544 4.221 20 0 GIADLO Fc1cccc(Br)c1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462238706 823889927 /nfs/dbraw/zinc/88/99/27/823889927.db2.gz PKHPDZGQXGKZNP-UHFFFAOYSA-N 1 2 380.261 4.228 20 0 GIADLO C[C@@H](c1cccc(NC(=O)NCc2ccc(C(F)F)cc2)c1)[NH+]1CCOCC1 ZINC000462252836 823899954 /nfs/dbraw/zinc/89/99/54/823899954.db2.gz LFASAEQUZVFKCE-HNNXBMFYSA-N 1 2 389.446 4.339 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)s1 ZINC000414070041 823900968 /nfs/dbraw/zinc/90/09/68/823900968.db2.gz RYALVEQPVDPIJU-QWHCGFSZSA-N 1 2 378.494 4.137 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2-n2cccc2)C1 ZINC000126567991 823901197 /nfs/dbraw/zinc/90/11/97/823901197.db2.gz VRFGDPOSWXFZLC-INIZCTEOSA-N 1 2 397.910 4.351 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2N(C)C)CC1 ZINC000462262194 823903995 /nfs/dbraw/zinc/90/39/95/823903995.db2.gz ZYVXOJKJFHQJFE-CQSZACIVSA-N 1 2 392.956 4.378 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccnc(OC3CCC(C)CC3)c2)s1 ZINC000414110641 823912507 /nfs/dbraw/zinc/91/25/07/823912507.db2.gz IIWFFZGTSCKXQJ-NPCAHTBFSA-N 1 2 389.521 4.133 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(-c2ccccn2)c1C ZINC000192250191 823917114 /nfs/dbraw/zinc/91/71/14/823917114.db2.gz YJQDORKNTYJIST-UHFFFAOYSA-N 1 2 376.504 4.368 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)c1ccc(Br)cc1 ZINC000192254265 823917504 /nfs/dbraw/zinc/91/75/04/823917504.db2.gz FOUYXETUQLLDMS-OAHLLOKOSA-N 1 2 392.341 4.250 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(-c2ccccc2F)n1 ZINC000192253147 823917577 /nfs/dbraw/zinc/91/75/77/823917577.db2.gz CGPAIFXDVGQXFB-UHFFFAOYSA-N 1 2 386.496 4.261 20 0 GIADLO O=C(c1ccc(C[N@@H+]2CCc3cc(Br)ccc3C2)cc1)N1CCCC1 ZINC000192257682 823919399 /nfs/dbraw/zinc/91/93/99/823919399.db2.gz DBLNJPLXMZMQNS-UHFFFAOYSA-N 1 2 399.332 4.243 20 0 GIADLO O=C(c1ccc(C[N@H+]2CCc3cc(Br)ccc3C2)cc1)N1CCCC1 ZINC000192257682 823919408 /nfs/dbraw/zinc/91/94/08/823919408.db2.gz DBLNJPLXMZMQNS-UHFFFAOYSA-N 1 2 399.332 4.243 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1csc(-c2ccccc2)n1)C(=O)NCCc1ccccc1 ZINC000414157609 823919932 /nfs/dbraw/zinc/91/99/32/823919932.db2.gz YDJXTEWGBPIYIN-IRXDYDNUSA-N 1 2 379.529 4.208 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)c1cccc(Br)c1 ZINC000462309780 823920092 /nfs/dbraw/zinc/92/00/92/823920092.db2.gz CWKFDAQHRNLHFY-OAHLLOKOSA-N 1 2 392.341 4.250 20 0 GIADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000170652844 823927145 /nfs/dbraw/zinc/92/71/45/823927145.db2.gz UHOZLHZNCMKFJW-RDJZCZTQSA-N 1 2 386.496 4.129 20 0 GIADLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000170652844 823927155 /nfs/dbraw/zinc/92/71/55/823927155.db2.gz UHOZLHZNCMKFJW-RDJZCZTQSA-N 1 2 386.496 4.129 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)Nc1c(F)cc(F)cc1Br ZINC000192290404 823935415 /nfs/dbraw/zinc/93/54/15/823935415.db2.gz QZRMYDBCUWQBPG-UHFFFAOYSA-N 1 2 399.239 4.136 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000192316938 823944558 /nfs/dbraw/zinc/94/45/58/823944558.db2.gz VQRJHGJOYKHWJN-SFHVURJKSA-N 1 2 386.540 4.482 20 0 GIADLO CC[C@H](c1nc(COc2cccc(C(=O)OC)c2)no1)[N@H+](C)Cc1ccccc1 ZINC000575225213 823945674 /nfs/dbraw/zinc/94/56/74/823945674.db2.gz DMCKEIJJZXGUKN-LJQANCHMSA-N 1 2 395.459 4.018 20 0 GIADLO CC[C@H](c1nc(COc2cccc(C(=O)OC)c2)no1)[N@@H+](C)Cc1ccccc1 ZINC000575225213 823945683 /nfs/dbraw/zinc/94/56/83/823945683.db2.gz DMCKEIJJZXGUKN-LJQANCHMSA-N 1 2 395.459 4.018 20 0 GIADLO COc1cc(Br)c(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000170718878 823953170 /nfs/dbraw/zinc/95/31/70/823953170.db2.gz UXRPDOXALAYLAR-NSHDSACASA-N 1 2 382.220 4.241 20 0 GIADLO COc1cc(Br)c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000170718878 823953181 /nfs/dbraw/zinc/95/31/81/823953181.db2.gz UXRPDOXALAYLAR-NSHDSACASA-N 1 2 382.220 4.241 20 0 GIADLO Cc1ccc(C[N@H+](Cc2nnnn2-c2ccc(OC(F)F)cc2)C(C)C)s1 ZINC000065162279 823954782 /nfs/dbraw/zinc/95/47/82/823954782.db2.gz RUNHEKCHENTODI-UHFFFAOYSA-N 1 2 393.463 4.044 20 0 GIADLO Cc1ccc(C[N@@H+](Cc2nnnn2-c2ccc(OC(F)F)cc2)C(C)C)s1 ZINC000065162279 823954790 /nfs/dbraw/zinc/95/47/90/823954790.db2.gz RUNHEKCHENTODI-UHFFFAOYSA-N 1 2 393.463 4.044 20 0 GIADLO C[C@H](c1nnc(SCc2cccnc2Cl)n1-c1ccc(F)cc1)[NH+](C)C ZINC000170742822 823958893 /nfs/dbraw/zinc/95/88/93/823958893.db2.gz MOMRIWWUYMILOH-GFCCVEGCSA-N 1 2 391.903 4.370 20 0 GIADLO CCc1ncc(C[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000414368915 823966766 /nfs/dbraw/zinc/96/67/66/823966766.db2.gz TYUQCPTWJYSGIR-UHFFFAOYSA-N 1 2 378.423 4.471 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000126863683 823969144 /nfs/dbraw/zinc/96/91/44/823969144.db2.gz JTMDMMQUHHZGHX-YJBOKZPZSA-N 1 2 391.471 4.237 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000126863683 823969152 /nfs/dbraw/zinc/96/91/52/823969152.db2.gz JTMDMMQUHHZGHX-YJBOKZPZSA-N 1 2 391.471 4.237 20 0 GIADLO c1cc(-c2nc(C[N@H+]3CCCN(Cc4cscn4)CC3)cs2)cs1 ZINC000170778653 823969476 /nfs/dbraw/zinc/96/94/76/823969476.db2.gz PTMAVMHUXHWUQH-UHFFFAOYSA-N 1 2 376.576 4.036 20 0 GIADLO c1cc(-c2nc(C[N@@H+]3CCCN(Cc4cscn4)CC3)cs2)cs1 ZINC000170778653 823969482 /nfs/dbraw/zinc/96/94/82/823969482.db2.gz PTMAVMHUXHWUQH-UHFFFAOYSA-N 1 2 376.576 4.036 20 0 GIADLO COc1ccc2c(c1)[C@H]([N@H+](Cc1ccccc1)Cc1ccc(C)nn1)CCO2 ZINC000414396801 823971635 /nfs/dbraw/zinc/97/16/35/823971635.db2.gz NHHQJSPVDZQJLI-JOCHJYFZSA-N 1 2 375.472 4.320 20 0 GIADLO COc1ccc2c(c1)[C@H]([N@@H+](Cc1ccccc1)Cc1ccc(C)nn1)CCO2 ZINC000414396801 823971639 /nfs/dbraw/zinc/97/16/39/823971639.db2.gz NHHQJSPVDZQJLI-JOCHJYFZSA-N 1 2 375.472 4.320 20 0 GIADLO COCCn1cc2c(n1)[C@@H](Nc1[nH+]ccc3cc(C(F)(F)F)ccc31)CCC2 ZINC000575498233 823974352 /nfs/dbraw/zinc/97/43/52/823974352.db2.gz YEBWCEBFDSNFFJ-KRWDZBQOSA-N 1 2 390.409 4.008 20 0 GIADLO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414435290 823985554 /nfs/dbraw/zinc/98/55/54/823985554.db2.gz FEEXNCNLLHJHTM-LBPRGKRZSA-N 1 2 391.480 4.233 20 0 GIADLO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414435290 823985559 /nfs/dbraw/zinc/98/55/59/823985559.db2.gz FEEXNCNLLHJHTM-LBPRGKRZSA-N 1 2 391.480 4.233 20 0 GIADLO CC(C)c1ccoc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000575766270 823989208 /nfs/dbraw/zinc/98/92/08/823989208.db2.gz PMESJYGUYMUCDX-UHFFFAOYSA-N 1 2 377.448 4.292 20 0 GIADLO C[NH2+]Cc1noc(/C=C\c2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)n1 ZINC000414502384 823996502 /nfs/dbraw/zinc/99/65/02/823996502.db2.gz PCAGPWQPLPNUKF-FPLPWBNLSA-N 1 2 392.290 4.128 20 0 GIADLO C[C@H](CC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)n1cc[nH+]c1 ZINC000575806030 824000970 /nfs/dbraw/zinc/00/09/70/824000970.db2.gz QGVRIEMDMKCYKY-ZBFHGGJFSA-N 1 2 377.872 4.074 20 0 GIADLO O=C(NCc1ccc(Cl)cc1F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000575820390 824002930 /nfs/dbraw/zinc/00/29/30/824002930.db2.gz IFPIEKQGGAUNTF-UHFFFAOYSA-N 1 2 390.890 4.101 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(F)c(F)c3F)CC2)c1 ZINC000170903198 824003231 /nfs/dbraw/zinc/00/32/31/824003231.db2.gz UUUKRAFOFSJKAI-CYBMUJFWSA-N 1 2 393.409 4.023 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000192473703 824004537 /nfs/dbraw/zinc/00/45/37/824004537.db2.gz CLQKSSSFAIKYQB-QGZVFWFLSA-N 1 2 382.479 4.364 20 0 GIADLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c1C ZINC000192475851 824005338 /nfs/dbraw/zinc/00/53/38/824005338.db2.gz GDHCZIATIYVHTC-KRWDZBQOSA-N 1 2 382.479 4.364 20 0 GIADLO CCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000127049601 824007282 /nfs/dbraw/zinc/00/72/82/824007282.db2.gz OGOWTKUSROEIAF-UHFFFAOYSA-N 1 2 390.871 4.031 20 0 GIADLO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3c(F)cccc3Br)cn2)n1 ZINC000192482340 824007831 /nfs/dbraw/zinc/00/78/31/824007831.db2.gz GZVUVSMPRPVPFS-UHFFFAOYSA-N 1 2 389.272 4.076 20 0 GIADLO Cc1ccc(NC(=O)C[C@H](C)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1Cl ZINC000575837552 824008871 /nfs/dbraw/zinc/00/88/71/824008871.db2.gz DXXANVZJSOOEKJ-HNNXBMFYSA-N 1 2 383.883 4.117 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2nc(C)c(-c3ccccc3)o2)c1C ZINC000170944338 824010192 /nfs/dbraw/zinc/01/01/92/824010192.db2.gz XBPCIOOVRZSPFK-UHFFFAOYSA-N 1 2 393.487 4.262 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000575878808 824018080 /nfs/dbraw/zinc/01/80/80/824018080.db2.gz ZJJIVIVXAGACKY-MRXNPFEDSA-N 1 2 386.521 4.277 20 0 GIADLO O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000170988709 824029142 /nfs/dbraw/zinc/02/91/42/824029142.db2.gz VGFYRVAYFJKVJV-HSZRJFAPSA-N 1 2 379.479 4.016 20 0 GIADLO O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000170988711 824029180 /nfs/dbraw/zinc/02/91/80/824029180.db2.gz VGFYRVAYFJKVJV-QHCPKHFHSA-N 1 2 379.479 4.016 20 0 GIADLO Brc1ccccc1Cc1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000576036868 824055469 /nfs/dbraw/zinc/05/54/69/824055469.db2.gz XQECBTPQJKZAKW-UHFFFAOYSA-N 1 2 381.233 4.276 20 0 GIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc3ccc(Cl)c(C)c3n2)CC1 ZINC001164917632 721817823 /nfs/dbraw/zinc/81/78/23/721817823.db2.gz GPYVZGYOANHGPU-UHFFFAOYSA-N 1 2 395.938 4.143 20 0 GIADLO CCOC[C@@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C1 ZINC000175810159 823045442 /nfs/dbraw/zinc/04/54/42/823045442.db2.gz VHCIKUWACLTAFP-OAHLLOKOSA-N 1 2 393.940 4.340 20 0 GIADLO CCOC[C@@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C1 ZINC000175810159 823045448 /nfs/dbraw/zinc/04/54/48/823045448.db2.gz VHCIKUWACLTAFP-OAHLLOKOSA-N 1 2 393.940 4.340 20 0 GIADLO CCOC[C@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C1 ZINC000175810175 823045509 /nfs/dbraw/zinc/04/55/09/823045509.db2.gz VHCIKUWACLTAFP-HNNXBMFYSA-N 1 2 393.940 4.340 20 0 GIADLO CCOC[C@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C1 ZINC000175810175 823045514 /nfs/dbraw/zinc/04/55/14/823045514.db2.gz VHCIKUWACLTAFP-HNNXBMFYSA-N 1 2 393.940 4.340 20 0 GIADLO C[C@@H](NC(=O)N(C)[C@@H](C)Cc1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000458495989 823047718 /nfs/dbraw/zinc/04/77/18/823047718.db2.gz XRWYOSHOWCCSRX-DLBZAZTESA-N 1 2 380.467 4.345 20 0 GIADLO CC(C)[C@H]1C[C@@]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)(C(=O)[O-])c2ccccc21 ZINC000570534631 823050723 /nfs/dbraw/zinc/05/07/23/823050723.db2.gz VMCJYKYHZJLIKG-OFNKIYASSA-N 1 2 375.472 4.085 20 0 GIADLO Cc1cccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1Br ZINC000120721077 823052522 /nfs/dbraw/zinc/05/25/22/823052522.db2.gz DVUGTNARLJBSIY-UHFFFAOYSA-N 1 2 399.292 4.324 20 0 GIADLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(C(C)(C)C(F)(F)F)cc3)n2)C1 ZINC000570603334 823060609 /nfs/dbraw/zinc/06/06/09/823060609.db2.gz OJYZTRXZUDWJCN-HNNXBMFYSA-N 1 2 383.414 4.358 20 0 GIADLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(C(C)(C)C(F)(F)F)cc3)n2)C1 ZINC000570603334 823060615 /nfs/dbraw/zinc/06/06/15/823060615.db2.gz OJYZTRXZUDWJCN-HNNXBMFYSA-N 1 2 383.414 4.358 20 0 GIADLO C[C@H]1C[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)CCC1(F)F ZINC000570671300 823070190 /nfs/dbraw/zinc/07/01/90/823070190.db2.gz BPVHDBMCTGCABS-NSHDSACASA-N 1 2 376.241 4.088 20 0 GIADLO C[C@H]1C[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)CCC1(F)F ZINC000570671300 823070194 /nfs/dbraw/zinc/07/01/94/823070194.db2.gz BPVHDBMCTGCABS-NSHDSACASA-N 1 2 376.241 4.088 20 0 GIADLO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000120830322 823073015 /nfs/dbraw/zinc/07/30/15/823073015.db2.gz RNMMIMQHAQLJQY-RHSMWYFYSA-N 1 2 388.537 4.200 20 0 GIADLO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000120830322 823073017 /nfs/dbraw/zinc/07/30/17/823073017.db2.gz RNMMIMQHAQLJQY-RHSMWYFYSA-N 1 2 388.537 4.200 20 0 GIADLO COc1cc2cc[nH+]c(N3CCc4cc(OC)c(OC)cc4CC3)c2cc1F ZINC000570717254 823075061 /nfs/dbraw/zinc/07/50/61/823075061.db2.gz VVJNZVUXWFCRKQ-UHFFFAOYSA-N 1 2 382.435 4.005 20 0 GIADLO CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120848819 823075970 /nfs/dbraw/zinc/07/59/70/823075970.db2.gz JLKXTTSEOFWVFX-RTBURBONSA-N 1 2 398.551 4.070 20 0 GIADLO COc1ccc([C@@H](C)[NH2+][C@H](CN2CCCC2)c2ccccc2)cc1NC(C)=O ZINC000120861704 823078770 /nfs/dbraw/zinc/07/87/70/823078770.db2.gz QAAQARNOGBEMCX-VGOFRKELSA-N 1 2 381.520 4.141 20 0 GIADLO CO[C@@H](C)c1noc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2Br)n1 ZINC000570744166 823079628 /nfs/dbraw/zinc/07/96/28/823079628.db2.gz FIVNZWLQVLSUOL-DZGCQCFKSA-N 1 2 394.313 4.137 20 0 GIADLO CO[C@@H](C)c1noc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2Br)n1 ZINC000570744166 823079636 /nfs/dbraw/zinc/07/96/36/823079636.db2.gz FIVNZWLQVLSUOL-DZGCQCFKSA-N 1 2 394.313 4.137 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2ccc(CSC(F)F)o2)c2ccc(F)cc2)cn1 ZINC000187519410 823079798 /nfs/dbraw/zinc/07/97/98/823079798.db2.gz XHZXYHBZZNGFSW-QGZVFWFLSA-N 1 2 381.423 4.487 20 0 GIADLO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000175962967 823083306 /nfs/dbraw/zinc/08/33/06/823083306.db2.gz FJJAPGHFDMPULI-OAHLLOKOSA-N 1 2 383.521 4.102 20 0 GIADLO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187536272 823084249 /nfs/dbraw/zinc/08/42/49/823084249.db2.gz KECHQLJTFKOTKT-ZDUSSCGKSA-N 1 2 389.272 4.328 20 0 GIADLO Cc1sc(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)nc1C(C)C ZINC000570769848 823084735 /nfs/dbraw/zinc/08/47/35/823084735.db2.gz MNNDPJQRJALTIC-LJQANCHMSA-N 1 2 396.560 4.488 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Br ZINC000187538430 823084916 /nfs/dbraw/zinc/08/49/16/823084916.db2.gz ZAYWYCRBGLGCCE-SJKOYZFVSA-N 1 2 391.313 4.377 20 0 GIADLO CC[C@@H](CN(CC)C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000187539481 823085167 /nfs/dbraw/zinc/08/51/67/823085167.db2.gz PASKXJNIHSMGJS-IBGZPJMESA-N 1 2 380.536 4.276 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000120980536 823096948 /nfs/dbraw/zinc/09/69/48/823096948.db2.gz JXZNEKHTWSFDIM-CQSZACIVSA-N 1 2 388.537 4.165 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000120980536 823096951 /nfs/dbraw/zinc/09/69/51/823096951.db2.gz JXZNEKHTWSFDIM-CQSZACIVSA-N 1 2 388.537 4.165 20 0 GIADLO Cc1cccnc1[C@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)C(C)C ZINC000120988726 823098167 /nfs/dbraw/zinc/09/81/67/823098167.db2.gz BNDQGPUETDBVJW-OAHLLOKOSA-N 1 2 391.269 4.282 20 0 GIADLO CC(F)(F)CCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000458902414 823103733 /nfs/dbraw/zinc/10/37/33/823103733.db2.gz SBOTXAKVJMGNBP-UHFFFAOYSA-N 1 2 384.858 4.184 20 0 GIADLO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121041696 823107670 /nfs/dbraw/zinc/10/76/70/823107670.db2.gz UDWDJQSKUCMPGB-GOEBONIOSA-N 1 2 389.565 4.454 20 0 GIADLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121041696 823107673 /nfs/dbraw/zinc/10/76/73/823107673.db2.gz UDWDJQSKUCMPGB-GOEBONIOSA-N 1 2 389.565 4.454 20 0 GIADLO CCOc1ccc(-c2nc(C[NH+]3CCN(c4cccc(O)c4)CC3)cs2)cc1 ZINC000121059354 823110817 /nfs/dbraw/zinc/11/08/17/823110817.db2.gz GMYOHCHIQHHXSB-UHFFFAOYSA-N 1 2 395.528 4.237 20 0 GIADLO Cc1cc(C[NH2+][C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c(C)o1 ZINC000121060684 823111222 /nfs/dbraw/zinc/11/12/22/823111222.db2.gz FVBONPDQGIJKQE-NRFANRHFSA-N 1 2 387.476 4.318 20 0 GIADLO c1ccc([C@@H](c2nc(-c3nccc4ccccc43)no2)[NH+]2CCSCC2)cc1 ZINC000570969310 823113179 /nfs/dbraw/zinc/11/31/79/823113179.db2.gz RTXDWXWIUBJVEY-FQEVSTJZSA-N 1 2 388.496 4.423 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459003935 823115260 /nfs/dbraw/zinc/11/52/60/823115260.db2.gz JETMPONFPTWZHS-LJQANCHMSA-N 1 2 390.890 4.305 20 0 GIADLO CCCn1c(C)nnc1C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000187702644 823116284 /nfs/dbraw/zinc/11/62/84/823116284.db2.gz MGPSYPXVVVLCSG-HXUWFJFHSA-N 1 2 392.482 4.016 20 0 GIADLO CC[C@H]([NH2+][C@@H](c1nccn1C)c1cc(OC)cc(OC)c1)c1cccc(F)c1 ZINC000187739007 823122942 /nfs/dbraw/zinc/12/29/42/823122942.db2.gz PSNQILXEQGNTQQ-LEWJYISDSA-N 1 2 383.467 4.407 20 0 GIADLO CO[C@@H](C)c1nc(C)c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)s1 ZINC000176125796 823129171 /nfs/dbraw/zinc/12/91/71/823129171.db2.gz KCXRCGJIVOCWPT-AAEUAGOBSA-N 1 2 394.566 4.100 20 0 GIADLO CO[C@@H](C)c1nc(C)c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)s1 ZINC000176125796 823129175 /nfs/dbraw/zinc/12/91/75/823129175.db2.gz KCXRCGJIVOCWPT-AAEUAGOBSA-N 1 2 394.566 4.100 20 0 GIADLO CCOc1ccc(-c2nc(C[NH+]3CCC(Oc4ncccc4C)CC3)co2)cc1 ZINC000571091742 823130797 /nfs/dbraw/zinc/13/07/97/823130797.db2.gz CJQBWGCSWZYZGE-UHFFFAOYSA-N 1 2 393.487 4.487 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NCCc1ccc(F)cc1 ZINC000121167397 823130945 /nfs/dbraw/zinc/13/09/45/823130945.db2.gz SDUFBAAIFZVDPQ-HNNXBMFYSA-N 1 2 377.529 4.066 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NCCc1ccc(F)cc1 ZINC000121167397 823130950 /nfs/dbraw/zinc/13/09/50/823130950.db2.gz SDUFBAAIFZVDPQ-HNNXBMFYSA-N 1 2 377.529 4.066 20 0 GIADLO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000121184171 823134114 /nfs/dbraw/zinc/13/41/14/823134114.db2.gz ZOOAMNUAZZLLFO-LBPRGKRZSA-N 1 2 394.302 4.049 20 0 GIADLO C[N@H+](CCC1CCOCC1)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S ZINC000121197950 823136589 /nfs/dbraw/zinc/13/65/89/823136589.db2.gz ZEDKBWMPIXLDSW-UHFFFAOYSA-N 1 2 386.565 4.046 20 0 GIADLO C[N@@H+](CCC1CCOCC1)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S ZINC000121197950 823136593 /nfs/dbraw/zinc/13/65/93/823136593.db2.gz ZEDKBWMPIXLDSW-UHFFFAOYSA-N 1 2 386.565 4.046 20 0 GIADLO COc1ccc([C@@H](C)[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1O ZINC000571129476 823137476 /nfs/dbraw/zinc/13/74/76/823137476.db2.gz RTVKIJXIOKVEHE-ZHRRBRCNSA-N 1 2 376.456 4.431 20 0 GIADLO Cn1c2ccccc2c(Cl)c1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000056404352 823144678 /nfs/dbraw/zinc/14/46/78/823144678.db2.gz QAYSKKNRGQNNMY-UHFFFAOYSA-N 1 2 392.890 4.049 20 0 GIADLO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(Cl)n1 ZINC000056407371 823144806 /nfs/dbraw/zinc/14/48/06/823144806.db2.gz STOAVKLAORALDI-UHFFFAOYSA-N 1 2 378.303 4.045 20 0 GIADLO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(Cl)n1 ZINC000056407371 823144810 /nfs/dbraw/zinc/14/48/10/823144810.db2.gz STOAVKLAORALDI-UHFFFAOYSA-N 1 2 378.303 4.045 20 0 GIADLO CCOc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OCC(F)(F)F ZINC000121243800 823146414 /nfs/dbraw/zinc/14/64/14/823146414.db2.gz DAVIBEUNCQYEET-OAHLLOKOSA-N 1 2 383.414 4.129 20 0 GIADLO CCOc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OCC(F)(F)F ZINC000121243800 823146417 /nfs/dbraw/zinc/14/64/17/823146417.db2.gz DAVIBEUNCQYEET-OAHLLOKOSA-N 1 2 383.414 4.129 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)C1(Cc2ccccc2F)CC1 ZINC000187853719 823146678 /nfs/dbraw/zinc/14/66/78/823146678.db2.gz SBHJOKQIUBFDQZ-UHFFFAOYSA-N 1 2 379.435 4.063 20 0 GIADLO O=C(N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1)C1(CCF)CC1 ZINC000571212525 823149375 /nfs/dbraw/zinc/14/93/75/823149375.db2.gz YQKPDAWIPYBKBR-UHFFFAOYSA-N 1 2 390.499 4.338 20 0 GIADLO CC[C@H](C)n1ncc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1C1CC1 ZINC000571220989 823150967 /nfs/dbraw/zinc/15/09/67/823150967.db2.gz RXOBFESCZTYEEJ-SZMVWBNQSA-N 1 2 381.524 4.280 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1nc(C)c(C(F)(F)F)s1 ZINC000571227673 823151948 /nfs/dbraw/zinc/15/19/48/823151948.db2.gz AVORURNTCKREMA-UHFFFAOYSA-N 1 2 389.447 4.173 20 0 GIADLO c1cc([C@H]2CCC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)[nH]n1 ZINC000121282756 823154516 /nfs/dbraw/zinc/15/45/16/823154516.db2.gz JLTLLOKVKYALFC-IBGZPJMESA-N 1 2 375.520 4.328 20 0 GIADLO c1cc([C@H]2CCC[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)[nH]n1 ZINC000121282756 823154518 /nfs/dbraw/zinc/15/45/18/823154518.db2.gz JLTLLOKVKYALFC-IBGZPJMESA-N 1 2 375.520 4.328 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)ccc1O ZINC000459286784 823156527 /nfs/dbraw/zinc/15/65/27/823156527.db2.gz HVRBXOBHVKWWCA-UHFFFAOYSA-N 1 2 383.275 4.168 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)ccc1O ZINC000459286784 823156530 /nfs/dbraw/zinc/15/65/30/823156530.db2.gz HVRBXOBHVKWWCA-UHFFFAOYSA-N 1 2 383.275 4.168 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCc2cccc(Cl)c2C1 ZINC000459292720 823157458 /nfs/dbraw/zinc/15/74/58/823157458.db2.gz DIZRXFXRGVWCJV-UHFFFAOYSA-N 1 2 390.940 4.373 20 0 GIADLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000187957462 823163943 /nfs/dbraw/zinc/16/39/43/823163943.db2.gz HGCOGLNSKKREGW-UHFFFAOYSA-N 1 2 377.916 4.050 20 0 GIADLO CC(C)(Oc1ccc(F)cc1)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000571323755 823165196 /nfs/dbraw/zinc/16/51/96/823165196.db2.gz LCXJKOJXTQOJPZ-UHFFFAOYSA-N 1 2 378.407 4.435 20 0 GIADLO Cc1nc2scc(C3CC3)n2c1CNc1ccccc1OCCn1cc[nH+]c1 ZINC000459349715 823168013 /nfs/dbraw/zinc/16/80/13/823168013.db2.gz NZINSBYDGKHXGS-UHFFFAOYSA-N 1 2 393.516 4.469 20 0 GIADLO Oc1cccc(CNC[C@@H](c2ccco2)[NH+]2CCCCC2)c1Br ZINC000459358302 823170671 /nfs/dbraw/zinc/17/06/71/823170671.db2.gz CPESGNPFHFATKJ-HNNXBMFYSA-N 1 2 379.298 4.065 20 0 GIADLO Cn1c[nH+]cc1CCNC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000121375617 823172971 /nfs/dbraw/zinc/17/29/71/823172971.db2.gz ZVXIGVBIPMZPHP-UHFFFAOYSA-N 1 2 388.393 4.155 20 0 GIADLO Cn1c2ccccc2nc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000176327946 823182964 /nfs/dbraw/zinc/18/29/64/823182964.db2.gz DEFVNWYKPPKTII-NRFANRHFSA-N 1 2 377.513 4.371 20 0 GIADLO Cn1c2ccccc2nc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000176327946 823182967 /nfs/dbraw/zinc/18/29/67/823182967.db2.gz DEFVNWYKPPKTII-NRFANRHFSA-N 1 2 377.513 4.371 20 0 GIADLO COc1ccc(C)cc1[C@H](C)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000459388641 823180557 /nfs/dbraw/zinc/18/05/57/823180557.db2.gz ORVAJJHRJQHVOP-ZWKOTPCHSA-N 1 2 397.519 4.280 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1 ZINC000459391001 823181158 /nfs/dbraw/zinc/18/11/58/823181158.db2.gz UHBTYKJGXWUOPH-TZIWHRDSSA-N 1 2 391.471 4.197 20 0 GIADLO Cc1ccc(Oc2ccc(NC(=O)NCCCCn3cc[nH+]c3)cn2)cc1C ZINC000056618906 823182342 /nfs/dbraw/zinc/18/23/42/823182342.db2.gz MUKKTDKZCTYLBQ-UHFFFAOYSA-N 1 2 379.464 4.289 20 0 GIADLO C[C@H](Cc1cccc(F)c1)N(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000459401041 823184288 /nfs/dbraw/zinc/18/42/88/823184288.db2.gz NHDVSOPRFYEJEG-QGZVFWFLSA-N 1 2 396.466 4.196 20 0 GIADLO CCc1oc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1C(=O)OC ZINC000571466297 823187140 /nfs/dbraw/zinc/18/71/40/823187140.db2.gz SWILXJYPPDHJEP-UHFFFAOYSA-N 1 2 391.414 4.002 20 0 GIADLO CC[C@H](Cc1ccccc1)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176361875 823191164 /nfs/dbraw/zinc/19/11/64/823191164.db2.gz KNMXLHDICWOKRH-JOCHJYFZSA-N 1 2 394.563 4.351 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000056658026 823191196 /nfs/dbraw/zinc/19/11/96/823191196.db2.gz AOIZWUDXDZZVHH-LJQANCHMSA-N 1 2 398.938 4.121 20 0 GIADLO CSc1ccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000056661918 823191995 /nfs/dbraw/zinc/19/19/95/823191995.db2.gz WSCMBCXEVSIYIV-IAGOWNOFSA-N 1 2 399.560 4.339 20 0 GIADLO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)n1 ZINC000188150405 823194199 /nfs/dbraw/zinc/19/41/99/823194199.db2.gz FZMBGVWFZWDSLT-NRFANRHFSA-N 1 2 375.451 4.231 20 0 GIADLO C[C@H](CNC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)Cn1cc[nH+]c1 ZINC000176389489 823196677 /nfs/dbraw/zinc/19/66/77/823196677.db2.gz WNDSEJRSPIKIQZ-GFCCVEGCSA-N 1 2 394.422 4.092 20 0 GIADLO Cc1nc2ccccc2cc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000571539003 823197467 /nfs/dbraw/zinc/19/74/67/823197467.db2.gz VNNOYRAFWPTDAZ-UHFFFAOYSA-N 1 2 386.455 4.092 20 0 GIADLO CO[C@@H](C)c1noc(C[NH+]2CCC(c3ccc(Br)c(C)c3)CC2)n1 ZINC000188193850 823201264 /nfs/dbraw/zinc/20/12/64/823201264.db2.gz FXRFBNSZSNANBY-ZDUSSCGKSA-N 1 2 394.313 4.228 20 0 GIADLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459488239 823202915 /nfs/dbraw/zinc/20/29/15/823202915.db2.gz IDSCUDVCWNTRPM-SJKOYZFVSA-N 1 2 393.409 4.040 20 0 GIADLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459488239 823202918 /nfs/dbraw/zinc/20/29/18/823202918.db2.gz IDSCUDVCWNTRPM-SJKOYZFVSA-N 1 2 393.409 4.040 20 0 GIADLO COCC[N@H+](Cc1cncs1)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459502618 823205669 /nfs/dbraw/zinc/20/56/69/823205669.db2.gz JSAKNDRMYLPVTD-UHFFFAOYSA-N 1 2 397.548 4.165 20 0 GIADLO COCC[N@@H+](Cc1cncs1)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459502618 823205673 /nfs/dbraw/zinc/20/56/73/823205673.db2.gz JSAKNDRMYLPVTD-UHFFFAOYSA-N 1 2 397.548 4.165 20 0 GIADLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000571604354 823206892 /nfs/dbraw/zinc/20/68/92/823206892.db2.gz NAOOVSJHRGOQPH-FDFHNCONSA-N 1 2 394.515 4.264 20 0 GIADLO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000571604354 823206895 /nfs/dbraw/zinc/20/68/95/823206895.db2.gz NAOOVSJHRGOQPH-FDFHNCONSA-N 1 2 394.515 4.264 20 0 GIADLO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459528605 823212165 /nfs/dbraw/zinc/21/21/65/823212165.db2.gz LABYGWZYWCMTDH-FXAWDEMLSA-N 1 2 387.524 4.187 20 0 GIADLO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)OCCc2ccccc23)c(Cl)c1 ZINC000459516482 823209212 /nfs/dbraw/zinc/20/92/12/823209212.db2.gz HSDDVGQRVTYZHG-UHFFFAOYSA-N 1 2 384.907 4.151 20 0 GIADLO COc1csc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000176450933 823210363 /nfs/dbraw/zinc/21/03/63/823210363.db2.gz LXHDLRAYPXCPDY-UHFFFAOYSA-N 1 2 385.514 4.024 20 0 GIADLO COc1csc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000176450933 823210369 /nfs/dbraw/zinc/21/03/69/823210369.db2.gz LXHDLRAYPXCPDY-UHFFFAOYSA-N 1 2 385.514 4.024 20 0 GIADLO Fc1ccc([C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)c2ncc[nH]2)cc1 ZINC000188262209 823210869 /nfs/dbraw/zinc/21/08/69/823210869.db2.gz ODVLZUNCKSWRCG-QFIPXVFZSA-N 1 2 395.478 4.124 20 0 GIADLO Cc1ccc(SCc2cccc(C(=O)NCCc3c[nH+]cn3C)c2)c(C)c1 ZINC000121583306 823210923 /nfs/dbraw/zinc/21/09/23/823210923.db2.gz VJWJLXYTVAZGGJ-UHFFFAOYSA-N 1 2 379.529 4.302 20 0 GIADLO Cc1sc(C(C)(C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)nc1-c1ccccc1F ZINC000571646122 823213982 /nfs/dbraw/zinc/21/39/82/823213982.db2.gz ZBEBRKBPJDXLIM-AWEZNQCLSA-N 1 2 398.507 4.068 20 0 GIADLO O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121605158 823214603 /nfs/dbraw/zinc/21/46/03/823214603.db2.gz HAORFUDJIXXBJA-SFHVURJKSA-N 1 2 398.384 4.459 20 0 GIADLO Cc1cc2nn(CN3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c(=S)n2c2ccccc12 ZINC000121633756 823219944 /nfs/dbraw/zinc/21/99/44/823219944.db2.gz HIFDODGGZRIFLY-HNAYVOBHSA-N 1 2 392.532 4.064 20 0 GIADLO COc1ccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2csc(N(C(C)=O)C3CC3)n2)cc1 ZINC000121653528 823223296 /nfs/dbraw/zinc/22/32/96/823223296.db2.gz GOYNJPWWBVKLKB-VLIAUNLRSA-N 1 2 385.533 4.250 20 0 GIADLO Cc1cc(C)c(NC(=O)CCC[S@](=O)Cc2cn3cccc(C)c3[nH+]2)c(C)c1 ZINC000176499760 823222331 /nfs/dbraw/zinc/22/23/31/823222331.db2.gz CJZBDGDMHUOUBL-NDEPHWFRSA-N 1 2 397.544 4.236 20 0 GIADLO COc1ccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2csc(N(C(C)=O)C3CC3)n2)cc1 ZINC000121653528 823223293 /nfs/dbraw/zinc/22/32/93/823223293.db2.gz GOYNJPWWBVKLKB-VLIAUNLRSA-N 1 2 385.533 4.250 20 0 GIADLO FC(F)c1ccnc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)n1 ZINC000459570934 823222697 /nfs/dbraw/zinc/22/26/97/823222697.db2.gz PQIOBMGYKBRMQT-UHFFFAOYSA-N 1 2 384.434 4.078 20 0 GIADLO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409454903 823222735 /nfs/dbraw/zinc/22/27/35/823222735.db2.gz VLPIJUBVBCWKET-MRXNPFEDSA-N 1 2 395.478 4.393 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000056848503 823223498 /nfs/dbraw/zinc/22/34/98/823223498.db2.gz GHAKPDZHGBEWRH-NRFANRHFSA-N 1 2 378.451 4.117 20 0 GIADLO Cc1cccn2cc(C[S@](=O)Cc3coc(-c4cccc(Cl)c4)n3)[nH+]c12 ZINC000176505391 823223866 /nfs/dbraw/zinc/22/38/66/823223866.db2.gz PNGLTOLRJBCVMJ-SANMLTNESA-N 1 2 385.876 4.400 20 0 GIADLO CS(=O)(=O)C[C@H]1CCC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459582677 823225133 /nfs/dbraw/zinc/22/51/33/823225133.db2.gz FDQKCKAPPULHHS-XPUAEESYSA-N 1 2 399.556 4.035 20 0 GIADLO CS(=O)(=O)C[C@H]1CCC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459582677 823225142 /nfs/dbraw/zinc/22/51/42/823225142.db2.gz FDQKCKAPPULHHS-XPUAEESYSA-N 1 2 399.556 4.035 20 0 GIADLO C[C@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cncc(F)c1 ZINC000571761972 823231327 /nfs/dbraw/zinc/23/13/27/823231327.db2.gz MIYKZWPWDIAELY-AWEZNQCLSA-N 1 2 379.439 4.303 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000056940778 823233209 /nfs/dbraw/zinc/23/32/09/823233209.db2.gz CLOFMZSHMWWCOL-HXUWFJFHSA-N 1 2 380.879 4.072 20 0 GIADLO CN(C(=O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)c1nc2ccccc2s1 ZINC000121708184 823234686 /nfs/dbraw/zinc/23/46/86/823234686.db2.gz FTPGAGKITHAOTE-CQSZACIVSA-N 1 2 399.541 4.058 20 0 GIADLO CN(C(=O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)c1nc2ccccc2s1 ZINC000121708184 823234690 /nfs/dbraw/zinc/23/46/90/823234690.db2.gz FTPGAGKITHAOTE-CQSZACIVSA-N 1 2 399.541 4.058 20 0 GIADLO Brc1ccc([C@@H]([NH2+]Cc2nnc3n2CCCC3)c2ccccc2)cc1 ZINC000188406643 823235522 /nfs/dbraw/zinc/23/55/22/823235522.db2.gz JLHVTFIYDIVPOV-FQEVSTJZSA-N 1 2 397.320 4.256 20 0 GIADLO CCO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658062 823242584 /nfs/dbraw/zinc/24/25/84/823242584.db2.gz ITVQKMUDMLYLKG-UKRRQHHQSA-N 1 2 392.487 4.422 20 0 GIADLO CCO[C@H](C)c1nc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658062 823242589 /nfs/dbraw/zinc/24/25/89/823242589.db2.gz ITVQKMUDMLYLKG-UKRRQHHQSA-N 1 2 392.487 4.422 20 0 GIADLO C[C@H](CSc1ccc(F)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000571842269 823243382 /nfs/dbraw/zinc/24/33/82/823243382.db2.gz SLAHTXJSFYISNR-MRXNPFEDSA-N 1 2 383.492 4.115 20 0 GIADLO Clc1cc(Br)ccc1[C@H]([NH2+]Cc1nnc2n1CCCC2)C1CC1 ZINC000188460015 823243587 /nfs/dbraw/zinc/24/35/87/823243587.db2.gz UJIUDHAGYVBKKF-QGZVFWFLSA-N 1 2 395.732 4.271 20 0 GIADLO c1nn(C2CCCC2)c(-c2ccccc2)c1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000571871645 823248032 /nfs/dbraw/zinc/24/80/32/823248032.db2.gz UXNGVQWKACRMSS-UHFFFAOYSA-N 1 2 390.535 4.273 20 0 GIADLO CCOc1ccc(-n2c(=S)n(C[N@H+](C)CC3CC3)nc2-c2ccncc2)cc1 ZINC000057088772 823248420 /nfs/dbraw/zinc/24/84/20/823248420.db2.gz ALXHIFVIRLOHFG-UHFFFAOYSA-N 1 2 395.532 4.163 20 0 GIADLO CCOc1ccc(-n2c(=S)n(C[N@@H+](C)CC3CC3)nc2-c2ccncc2)cc1 ZINC000057088772 823248422 /nfs/dbraw/zinc/24/84/22/823248422.db2.gz ALXHIFVIRLOHFG-UHFFFAOYSA-N 1 2 395.532 4.163 20 0 GIADLO C[C@@H]1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000188485749 823248896 /nfs/dbraw/zinc/24/88/96/823248896.db2.gz OXCMYHQMGJYJSU-PBHICJAKSA-N 1 2 377.410 4.043 20 0 GIADLO C[C@@H]1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000188485800 823248937 /nfs/dbraw/zinc/24/89/37/823248937.db2.gz OXCMYHQMGJYJSU-RHSMWYFYSA-N 1 2 377.410 4.043 20 0 GIADLO O=C(C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1)Nc1ccccc1Cc1ccccc1 ZINC000571928346 823255702 /nfs/dbraw/zinc/25/57/02/823255702.db2.gz BGUXZBPSHZRQGC-FQEVSTJZSA-N 1 2 394.906 4.013 20 0 GIADLO O=C(C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1)Nc1ccccc1Cc1ccccc1 ZINC000571928346 823255710 /nfs/dbraw/zinc/25/57/10/823255710.db2.gz BGUXZBPSHZRQGC-FQEVSTJZSA-N 1 2 394.906 4.013 20 0 GIADLO CCc1c(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)cnn1C1CCCC1 ZINC000571972341 823263171 /nfs/dbraw/zinc/26/31/71/823263171.db2.gz VBMCUWDWMPQQGO-UHFFFAOYSA-N 1 2 377.492 4.427 20 0 GIADLO O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000176660880 823260295 /nfs/dbraw/zinc/26/02/95/823260295.db2.gz PBISTFZCNQGKFD-JOCHJYFZSA-N 1 2 388.515 4.256 20 0 GIADLO CCc1cccc(Cc2cnc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)s2)c1 ZINC000571981826 823265201 /nfs/dbraw/zinc/26/52/01/823265201.db2.gz OXTLLYISMFNDAI-UHFFFAOYSA-N 1 2 395.532 4.431 20 0 GIADLO COc1ccc(Br)cc1-c1nc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cs1 ZINC000459790742 823265534 /nfs/dbraw/zinc/26/55/34/823265534.db2.gz GTEOJQKYFRZOCK-STQMWFEESA-N 1 2 397.363 4.271 20 0 GIADLO COc1ccc(Br)cc1-c1nc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cs1 ZINC000459790742 823265537 /nfs/dbraw/zinc/26/55/37/823265537.db2.gz GTEOJQKYFRZOCK-STQMWFEESA-N 1 2 397.363 4.271 20 0 GIADLO C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@@H](C)C1CCCCC1 ZINC000176687064 823268083 /nfs/dbraw/zinc/26/80/83/823268083.db2.gz MDRYDHHOVUCPJV-QZTJIDSGSA-N 1 2 396.535 4.247 20 0 GIADLO CN(Cc1csc(Br)c1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000057311424 823278564 /nfs/dbraw/zinc/27/85/64/823278564.db2.gz KPAGYRLPUZDOBR-UHFFFAOYSA-N 1 2 390.306 4.028 20 0 GIADLO Cn1c(COc2ccccc2Cl)nn(C[N@@H+]2CCC3(CCC3)C2)c1=S ZINC000121921224 823277479 /nfs/dbraw/zinc/27/74/79/823277479.db2.gz LRSTXQYOKRTIMV-UHFFFAOYSA-N 1 2 378.929 4.017 20 0 GIADLO Cn1c(COc2ccccc2Cl)nn(C[N@H+]2CCC3(CCC3)C2)c1=S ZINC000121921224 823277482 /nfs/dbraw/zinc/27/74/82/823277482.db2.gz LRSTXQYOKRTIMV-UHFFFAOYSA-N 1 2 378.929 4.017 20 0 GIADLO Cn1c(COc2ccc(Cl)cc2)nn(C[N@@H+]2CCC3(CCC3)C2)c1=S ZINC000121947420 823282875 /nfs/dbraw/zinc/28/28/75/823282875.db2.gz NXJRAYALQZMMJU-UHFFFAOYSA-N 1 2 378.929 4.017 20 0 GIADLO Cn1c(COc2ccc(Cl)cc2)nn(C[N@H+]2CCC3(CCC3)C2)c1=S ZINC000121947420 823282880 /nfs/dbraw/zinc/28/28/80/823282880.db2.gz NXJRAYALQZMMJU-UHFFFAOYSA-N 1 2 378.929 4.017 20 0 GIADLO CC(C)n1cc(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cn1 ZINC000572097971 823283031 /nfs/dbraw/zinc/28/30/31/823283031.db2.gz IFKWEXPAWRTMJN-UHFFFAOYSA-N 1 2 386.887 4.048 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000057373178 823283984 /nfs/dbraw/zinc/28/39/84/823283984.db2.gz JIXOHJWZKMFDRI-JOCHJYFZSA-N 1 2 376.504 4.337 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000057373626 823284032 /nfs/dbraw/zinc/28/40/32/823284032.db2.gz SEOGRRIIHHHUIE-GOSISDBHSA-N 1 2 388.924 4.467 20 0 GIADLO Cc1cc(N)nc(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[nH+]1 ZINC000007049041 817746698 /nfs/dbraw/zinc/74/66/98/817746698.db2.gz KTWOWZVSBFLXQB-NXEZZACHSA-N 1 2 385.320 4.032 20 0 GIADLO CCOc1ccccc1N1CC[NH+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)CC1 ZINC000007341588 817820986 /nfs/dbraw/zinc/82/09/86/817820986.db2.gz OBOQTSYKJCOUST-SFHVURJKSA-N 1 2 392.503 4.327 20 0 GIADLO Fc1ccc(-n2c(C[NH+]3CCCCC3)nnc2SCC[C@@H]2CCCO2)cc1 ZINC000188713391 823290974 /nfs/dbraw/zinc/29/09/74/823290974.db2.gz XOLZDEAIDXQVNP-SFHVURJKSA-N 1 2 390.528 4.054 20 0 GIADLO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)C(=O)Nc1ccc3ccccc3c1)CC2 ZINC000007418569 817836309 /nfs/dbraw/zinc/83/63/09/817836309.db2.gz CSCJYNJQASDAER-INIZCTEOSA-N 1 2 390.483 4.242 20 0 GIADLO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)C(=O)Nc1ccc3ccccc3c1)CC2 ZINC000007418569 817836315 /nfs/dbraw/zinc/83/63/15/817836315.db2.gz CSCJYNJQASDAER-INIZCTEOSA-N 1 2 390.483 4.242 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000572177086 823295322 /nfs/dbraw/zinc/29/53/22/823295322.db2.gz LNOKWATZUVCFQR-NSHDSACASA-N 1 2 379.938 4.463 20 0 GIADLO Cc1cc(C)cc(Oc2ccc(CNC(=O)NCc3c[nH+]cn3C)cc2C)c1 ZINC000460142290 823295507 /nfs/dbraw/zinc/29/55/07/823295507.db2.gz IBUDWIQBOFEWPS-UHFFFAOYSA-N 1 2 378.476 4.137 20 0 GIADLO O=C(Cc1c(Cl)cccc1Cl)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000409738928 823295967 /nfs/dbraw/zinc/29/59/67/823295967.db2.gz VSBCWKRARCCPQS-UHFFFAOYSA-N 1 2 379.287 4.007 20 0 GIADLO CCc1ccc(C[N@H+](C)Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000007674362 817892713 /nfs/dbraw/zinc/89/27/13/817892713.db2.gz BFINVKZUVNHWGU-UHFFFAOYSA-N 1 2 379.485 4.439 20 0 GIADLO CCc1ccc(C[N@@H+](C)Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000007674362 817892718 /nfs/dbraw/zinc/89/27/18/817892718.db2.gz BFINVKZUVNHWGU-UHFFFAOYSA-N 1 2 379.485 4.439 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2C)c(OC)c1 ZINC000007739585 817905575 /nfs/dbraw/zinc/90/55/75/817905575.db2.gz AZJYOMZENKGOPN-IBGZPJMESA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2C)c(OC)c1 ZINC000007739585 817905581 /nfs/dbraw/zinc/90/55/81/817905581.db2.gz AZJYOMZENKGOPN-IBGZPJMESA-N 1 2 388.895 4.441 20 0 GIADLO CC[C@H](C)Oc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000057479152 823302001 /nfs/dbraw/zinc/30/20/01/823302001.db2.gz YTRUCNGBIXBXIY-SFHVURJKSA-N 1 2 397.519 4.018 20 0 GIADLO O=c1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c2ccc(O)cc2o1 ZINC000007909017 817955486 /nfs/dbraw/zinc/95/54/86/817955486.db2.gz LTUIRXWCUJXDPL-QGZVFWFLSA-N 1 2 378.453 4.445 20 0 GIADLO O=c1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c2ccc(O)cc2o1 ZINC000007909017 817955489 /nfs/dbraw/zinc/95/54/89/817955489.db2.gz LTUIRXWCUJXDPL-QGZVFWFLSA-N 1 2 378.453 4.445 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2C)ccc1OC(F)F ZINC000007976832 817972877 /nfs/dbraw/zinc/97/28/77/817972877.db2.gz VKYONUDREHWHMU-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)ccc1OC(F)F ZINC000007976832 817972881 /nfs/dbraw/zinc/97/28/81/817972881.db2.gz VKYONUDREHWHMU-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO C[C@H]([N@H+](C)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S)C1(C)CC1 ZINC000176830447 823304230 /nfs/dbraw/zinc/30/42/30/823304230.db2.gz PSAAUVIDSKOUOY-LBPRGKRZSA-N 1 2 385.459 4.116 20 0 GIADLO C[C@H]([N@@H+](C)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S)C1(C)CC1 ZINC000176830447 823304235 /nfs/dbraw/zinc/30/42/35/823304235.db2.gz PSAAUVIDSKOUOY-LBPRGKRZSA-N 1 2 385.459 4.116 20 0 GIADLO Clc1ccc(C[NH+]2CCN(c3ncnc4sc5c(c43)CCC5)CC2)s1 ZINC000008119463 818003327 /nfs/dbraw/zinc/00/33/27/818003327.db2.gz DAAQALMZRUZINA-UHFFFAOYSA-N 1 2 390.965 4.217 20 0 GIADLO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008202074 818017207 /nfs/dbraw/zinc/01/72/07/818017207.db2.gz LLFSOITYFIDWCW-UHFFFAOYSA-N 1 2 395.528 4.431 20 0 GIADLO Cn1cc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c(C2CCCCC2)n1 ZINC000572237277 823305690 /nfs/dbraw/zinc/30/56/90/823305690.db2.gz FLXVGZHTYWZTJQ-GOSISDBHSA-N 1 2 377.492 4.352 20 0 GIADLO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000008261665 818025678 /nfs/dbraw/zinc/02/56/78/818025678.db2.gz WLBBFIURMGAOJI-QGZVFWFLSA-N 1 2 393.512 4.317 20 0 GIADLO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000008261665 818025687 /nfs/dbraw/zinc/02/56/87/818025687.db2.gz WLBBFIURMGAOJI-QGZVFWFLSA-N 1 2 393.512 4.317 20 0 GIADLO Cc1sc2nc([C@H](C)[NH+]3CCC(OCc4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000011331212 818072960 /nfs/dbraw/zinc/07/29/60/818072960.db2.gz IMMHPWKKLJCSIX-HNNXBMFYSA-N 1 2 397.544 4.344 20 0 GIADLO Cc1cc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)on1 ZINC000011403429 818078827 /nfs/dbraw/zinc/07/88/27/818078827.db2.gz OOOREQRZQAKVDV-UHFFFAOYSA-N 1 2 390.896 4.064 20 0 GIADLO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1F ZINC000011767191 818118870 /nfs/dbraw/zinc/11/88/70/818118870.db2.gz MTDZHQLEPWPHBE-UHFFFAOYSA-N 1 2 381.476 4.401 20 0 GIADLO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1F ZINC000011767191 818118873 /nfs/dbraw/zinc/11/88/73/818118873.db2.gz MTDZHQLEPWPHBE-UHFFFAOYSA-N 1 2 381.476 4.401 20 0 GIADLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2Br)C[C@H]1n1cc[nH+]c1 ZINC000409834566 823320320 /nfs/dbraw/zinc/32/03/20/823320320.db2.gz WQUJFFSUQWGUMU-RHSMWYFYSA-N 1 2 390.325 4.033 20 0 GIADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000176885740 823317598 /nfs/dbraw/zinc/31/75/98/823317598.db2.gz VVVADARXQFGXBF-KRWDZBQOSA-N 1 2 375.900 4.136 20 0 GIADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000176885740 823317603 /nfs/dbraw/zinc/31/76/03/823317603.db2.gz VVVADARXQFGXBF-KRWDZBQOSA-N 1 2 375.900 4.136 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1c[nH]nc1-c1ccccc1Cl ZINC000122181817 823317786 /nfs/dbraw/zinc/31/77/86/823317786.db2.gz AACOBCPHCDGIQI-UHFFFAOYSA-N 1 2 395.894 4.045 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@H](C(F)(F)F)C3)c2)cs1 ZINC000012903452 818191968 /nfs/dbraw/zinc/19/19/68/818191968.db2.gz FDCFPNKMQMPDSV-AWEZNQCLSA-N 1 2 383.439 4.331 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@H](C(F)(F)F)C3)c2)cs1 ZINC000012903452 818191973 /nfs/dbraw/zinc/19/19/73/818191973.db2.gz FDCFPNKMQMPDSV-AWEZNQCLSA-N 1 2 383.439 4.331 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000409830479 823319195 /nfs/dbraw/zinc/31/91/95/823319195.db2.gz SHORSXDUKAFAGK-CABCVRRESA-N 1 2 379.426 4.024 20 0 GIADLO Cc1cc(NC(=O)CCc2c[nH]c[nH+]2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000188870815 823320820 /nfs/dbraw/zinc/32/08/20/823320820.db2.gz VSJUESQRWGLNRE-UHFFFAOYSA-N 1 2 397.788 4.147 20 0 GIADLO Cc1cc(NC(=O)CCc2c[nH+]c[nH]2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000188870815 823320827 /nfs/dbraw/zinc/32/08/27/823320827.db2.gz VSJUESQRWGLNRE-UHFFFAOYSA-N 1 2 397.788 4.147 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000014327171 818235226 /nfs/dbraw/zinc/23/52/26/818235226.db2.gz DFOCRDGUHXZAOK-GOSISDBHSA-N 1 2 394.515 4.234 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)CC1 ZINC000014526782 818249681 /nfs/dbraw/zinc/24/96/81/818249681.db2.gz KFPRNNMAYKYVCV-UHFFFAOYSA-N 1 2 382.533 4.428 20 0 GIADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1ccc(Br)s1 ZINC000015109182 818291503 /nfs/dbraw/zinc/29/15/03/818291503.db2.gz GJBIMPOHWFYRMH-VIFPVBQESA-N 1 2 388.718 4.018 20 0 GIADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1ccc(Br)s1 ZINC000015109182 818291510 /nfs/dbraw/zinc/29/15/10/818291510.db2.gz GJBIMPOHWFYRMH-VIFPVBQESA-N 1 2 388.718 4.018 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(Br)s1 ZINC000015109188 818291705 /nfs/dbraw/zinc/29/17/05/818291705.db2.gz DTFYWOYJVQSNDE-VIFPVBQESA-N 1 2 389.265 4.248 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000015109188 818291712 /nfs/dbraw/zinc/29/17/12/818291712.db2.gz DTFYWOYJVQSNDE-VIFPVBQESA-N 1 2 389.265 4.248 20 0 GIADLO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000572363533 823327629 /nfs/dbraw/zinc/32/76/29/823327629.db2.gz NZYGSCAZQCURFX-UZLBHIALSA-N 1 2 376.460 4.102 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cc(OC)ccc3OC)n2)cc1 ZINC000015312866 818311624 /nfs/dbraw/zinc/31/16/24/818311624.db2.gz JKCVGTAEHBWDCY-LJQANCHMSA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cc(OC)ccc3OC)n2)cc1 ZINC000015312866 818311629 /nfs/dbraw/zinc/31/16/29/818311629.db2.gz JKCVGTAEHBWDCY-LJQANCHMSA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3cc(OC)ccc3OC)n2)cc1 ZINC000015312868 818312002 /nfs/dbraw/zinc/31/20/02/818312002.db2.gz JKCVGTAEHBWDCY-IBGZPJMESA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3cc(OC)ccc3OC)n2)cc1 ZINC000015312868 818312007 /nfs/dbraw/zinc/31/20/07/818312007.db2.gz JKCVGTAEHBWDCY-IBGZPJMESA-N 1 2 395.459 4.100 20 0 GIADLO Cc1noc2nc(C(C)C)cc(C(=O)OCCOCCCc3cccc(C)[nH+]3)c12 ZINC000122253312 823328119 /nfs/dbraw/zinc/32/81/19/823328119.db2.gz LZSFGYCDKLGCMV-UHFFFAOYSA-N 1 2 397.475 4.164 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3F)no2)c(OC)c1 ZINC000188938076 823330979 /nfs/dbraw/zinc/33/09/79/823330979.db2.gz ONTXDGRTIIXCQR-SFHVURJKSA-N 1 2 383.423 4.230 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3F)no2)c(OC)c1 ZINC000188938076 823330987 /nfs/dbraw/zinc/33/09/87/823330987.db2.gz ONTXDGRTIIXCQR-SFHVURJKSA-N 1 2 383.423 4.230 20 0 GIADLO COc1cccc(C[N@@H+](Cc2nc(-c3ccccc3F)no2)C[C@H]2CCCO2)c1 ZINC000188977769 823337254 /nfs/dbraw/zinc/33/72/54/823337254.db2.gz YIMLJYKCVILDAV-GOSISDBHSA-N 1 2 397.450 4.066 20 0 GIADLO COc1cccc(C[N@H+](Cc2nc(-c3ccccc3F)no2)C[C@H]2CCCO2)c1 ZINC000188977769 823337259 /nfs/dbraw/zinc/33/72/59/823337259.db2.gz YIMLJYKCVILDAV-GOSISDBHSA-N 1 2 397.450 4.066 20 0 GIADLO C[N@H+](CC(=O)N1CCSc2ccccc21)Cc1ccc(Br)s1 ZINC000016341722 818426707 /nfs/dbraw/zinc/42/67/07/818426707.db2.gz HHGNYEBBICGISD-UHFFFAOYSA-N 1 2 397.363 4.081 20 0 GIADLO C[N@@H+](CC(=O)N1CCSc2ccccc21)Cc1ccc(Br)s1 ZINC000016341722 818426710 /nfs/dbraw/zinc/42/67/10/818426710.db2.gz HHGNYEBBICGISD-UHFFFAOYSA-N 1 2 397.363 4.081 20 0 GIADLO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000016476406 818447729 /nfs/dbraw/zinc/44/77/29/818447729.db2.gz OSYYRWPGXACPDG-KRWDZBQOSA-N 1 2 396.487 4.081 20 0 GIADLO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000572427998 823337071 /nfs/dbraw/zinc/33/70/71/823337071.db2.gz JJVPJVHHKBDTBJ-AEFFLSMTSA-N 1 2 379.426 4.162 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000122354582 823342921 /nfs/dbraw/zinc/34/29/21/823342921.db2.gz WUQIGZAPZAZUBW-UHFFFAOYSA-N 1 2 394.397 4.292 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCCCC[C@H]1c1ccncc1 ZINC000122339491 823340570 /nfs/dbraw/zinc/34/05/70/823340570.db2.gz LZQASNCGYUUAQG-NRFANRHFSA-N 1 2 393.535 4.294 20 0 GIADLO CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176988617 823343560 /nfs/dbraw/zinc/34/35/60/823343560.db2.gz KMOPUYDIDYAPJZ-PKOBYXMFSA-N 1 2 388.537 4.148 20 0 GIADLO Fc1ccc(NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000018144816 818550473 /nfs/dbraw/zinc/55/04/73/818550473.db2.gz LWWZYMYPPGRCPH-UHFFFAOYSA-N 1 2 379.888 4.120 20 0 GIADLO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000122374566 823345778 /nfs/dbraw/zinc/34/57/78/823345778.db2.gz BLKZHLQPUZQQSH-CYBMUJFWSA-N 1 2 393.322 4.193 20 0 GIADLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000122374566 823345783 /nfs/dbraw/zinc/34/57/83/823345783.db2.gz BLKZHLQPUZQQSH-CYBMUJFWSA-N 1 2 393.322 4.193 20 0 GIADLO CC[C@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)Oc1ccc(Cl)c(Cl)c1 ZINC000189071845 823352204 /nfs/dbraw/zinc/35/22/04/823352204.db2.gz MIBLGDCZSPONNC-ZIAGYGMSSA-N 1 2 396.318 4.068 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000189079214 823353642 /nfs/dbraw/zinc/35/36/42/823353642.db2.gz ZOKKLAJSHWXESF-MEBBXXQBSA-N 1 2 399.239 4.039 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)CCc3cc4ccccc4o3)CC2)cc1 ZINC000021476417 818692779 /nfs/dbraw/zinc/69/27/79/818692779.db2.gz HPXNXPZNRPMECW-UHFFFAOYSA-N 1 2 392.499 4.109 20 0 GIADLO COc1cccc(Cl)c1C[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000572550579 823359225 /nfs/dbraw/zinc/35/92/25/823359225.db2.gz PSYZQGTXVLZMFO-UHFFFAOYSA-N 1 2 397.700 4.148 20 0 GIADLO COc1ccccc1CNC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000058073093 823359785 /nfs/dbraw/zinc/35/97/85/823359785.db2.gz HKRYAZSVWJDUOC-OAQYLSRUSA-N 1 2 398.553 4.082 20 0 GIADLO COc1ccccc1CNC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000058073093 823359793 /nfs/dbraw/zinc/35/97/93/823359793.db2.gz HKRYAZSVWJDUOC-OAQYLSRUSA-N 1 2 398.553 4.082 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000058074200 823360004 /nfs/dbraw/zinc/36/00/04/823360004.db2.gz YIIQYNCGMRXKJB-UHFFFAOYSA-N 1 2 377.448 4.022 20 0 GIADLO C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022743530 818854808 /nfs/dbraw/zinc/85/48/08/818854808.db2.gz AETNNGBWTXCCMO-OAHLLOKOSA-N 1 2 390.936 4.292 20 0 GIADLO C[N@H+](CC1CCCC1)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000058207400 823368652 /nfs/dbraw/zinc/36/86/52/823368652.db2.gz RLOLHIPMKMKFNW-UHFFFAOYSA-N 1 2 383.521 4.197 20 0 GIADLO C[N@@H+](CC1CCCC1)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000058207400 823368655 /nfs/dbraw/zinc/36/86/55/823368655.db2.gz RLOLHIPMKMKFNW-UHFFFAOYSA-N 1 2 383.521 4.197 20 0 GIADLO C=CCn1c(COc2ccccc2F)nn(C[N@H+](C)CC2CCCC2)c1=S ZINC000058207595 823368986 /nfs/dbraw/zinc/36/89/86/823368986.db2.gz FBDLBSHBKDNJKN-UHFFFAOYSA-N 1 2 390.528 4.398 20 0 GIADLO C=CCn1c(COc2ccccc2F)nn(C[N@@H+](C)CC2CCCC2)c1=S ZINC000058207595 823368993 /nfs/dbraw/zinc/36/89/93/823368993.db2.gz FBDLBSHBKDNJKN-UHFFFAOYSA-N 1 2 390.528 4.398 20 0 GIADLO FC(F)OC[C@H]1CC[N@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000572647061 823374870 /nfs/dbraw/zinc/37/48/70/823374870.db2.gz YDMMBPGRLKXGPC-JTQLQIEISA-N 1 2 399.073 4.273 20 0 GIADLO FC(F)OC[C@H]1CC[N@@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000572647061 823374878 /nfs/dbraw/zinc/37/48/78/823374878.db2.gz YDMMBPGRLKXGPC-JTQLQIEISA-N 1 2 399.073 4.273 20 0 GIADLO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)Cn3cc[nH+]c3)o2)cc1 ZINC000058297299 823375830 /nfs/dbraw/zinc/37/58/30/823375830.db2.gz ZQJWXUPISBCOHP-KRWDZBQOSA-N 1 2 386.455 4.332 20 0 GIADLO Fc1ccc2c(c1)onc2C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000572657281 823376823 /nfs/dbraw/zinc/37/68/23/823376823.db2.gz GMRAMPVSVCIIEI-UHFFFAOYSA-N 1 2 381.455 4.131 20 0 GIADLO Fc1ccc2c(c1)onc2C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000572657281 823376825 /nfs/dbraw/zinc/37/68/25/823376825.db2.gz GMRAMPVSVCIIEI-UHFFFAOYSA-N 1 2 381.455 4.131 20 0 GIADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023667243 818971704 /nfs/dbraw/zinc/97/17/04/818971704.db2.gz QIXYEYXQLFTIHQ-NSHDSACASA-N 1 2 396.459 4.061 20 0 GIADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023667243 818971708 /nfs/dbraw/zinc/97/17/08/818971708.db2.gz QIXYEYXQLFTIHQ-NSHDSACASA-N 1 2 396.459 4.061 20 0 GIADLO Fc1ccc(OCc2nc(C[NH+]3CCC([C@@H]4CCCO4)CC3)cs2)cc1 ZINC000189211755 823377028 /nfs/dbraw/zinc/37/70/28/823377028.db2.gz ZXTQJXDUPZOLQP-IBGZPJMESA-N 1 2 376.497 4.252 20 0 GIADLO CC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000177127815 823377958 /nfs/dbraw/zinc/37/79/58/823377958.db2.gz WYUNXPKGZLXPNG-OAQYLSRUSA-N 1 2 383.467 4.086 20 0 GIADLO CC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000177127815 823377965 /nfs/dbraw/zinc/37/79/65/823377965.db2.gz WYUNXPKGZLXPNG-OAQYLSRUSA-N 1 2 383.467 4.086 20 0 GIADLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1ccc(F)nc1)CC2 ZINC000189284273 823386862 /nfs/dbraw/zinc/38/68/62/823386862.db2.gz CGLNHTFNKPKFOQ-HSZRJFAPSA-N 1 2 378.447 4.386 20 0 GIADLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1ccc(F)nc1)CC2 ZINC000189284273 823386865 /nfs/dbraw/zinc/38/68/65/823386865.db2.gz CGLNHTFNKPKFOQ-HSZRJFAPSA-N 1 2 378.447 4.386 20 0 GIADLO Cc1cccc(NC(=O)C[N@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)c1C ZINC000122680374 823393508 /nfs/dbraw/zinc/39/35/08/823393508.db2.gz TYTCCCRBEKOXCX-UHFFFAOYSA-N 1 2 398.894 4.120 20 0 GIADLO Cc1cccc(NC(=O)C[N@@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)c1C ZINC000122680374 823393511 /nfs/dbraw/zinc/39/35/11/823393511.db2.gz TYTCCCRBEKOXCX-UHFFFAOYSA-N 1 2 398.894 4.120 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000177176202 823391584 /nfs/dbraw/zinc/39/15/84/823391584.db2.gz RTPFBKBOFFFZNS-OAHLLOKOSA-N 1 2 391.475 4.011 20 0 GIADLO COc1ccccc1C[C@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2)n(C)c1=S ZINC000058540106 823406437 /nfs/dbraw/zinc/40/64/37/823406437.db2.gz FXSXKVRFTHXLCL-LJQANCHMSA-N 1 2 394.544 4.291 20 0 GIADLO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1nc(-c2ccccc2)n(C)c1=S ZINC000058540106 823406440 /nfs/dbraw/zinc/40/64/40/823406440.db2.gz FXSXKVRFTHXLCL-LJQANCHMSA-N 1 2 394.544 4.291 20 0 GIADLO FC(F)Oc1cc(-c2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)ccn1 ZINC000410166874 823408428 /nfs/dbraw/zinc/40/84/28/823408428.db2.gz ZGOJGIIQIXSZPM-ZZXKWVIFSA-N 1 2 381.342 4.089 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000058578802 823411765 /nfs/dbraw/zinc/41/17/65/823411765.db2.gz LTGWHSAMQGQDJM-UHFFFAOYSA-N 1 2 399.362 4.487 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@H+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000058578802 823411772 /nfs/dbraw/zinc/41/17/72/823411772.db2.gz LTGWHSAMQGQDJM-UHFFFAOYSA-N 1 2 399.362 4.487 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(Br)cc2C)c1C ZINC000058608329 823416320 /nfs/dbraw/zinc/41/63/20/823416320.db2.gz RHRCYWYHNHWTSB-UHFFFAOYSA-N 1 2 392.297 4.442 20 0 GIADLO CC(C)[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(F)cc1 ZINC000410217554 823422738 /nfs/dbraw/zinc/42/27/38/823422738.db2.gz UEIORLUYTXDEFU-OAQYLSRUSA-N 1 2 384.499 4.408 20 0 GIADLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177297968 823425133 /nfs/dbraw/zinc/42/51/33/823425133.db2.gz HXOBOVWECIVPOH-IBGZPJMESA-N 1 2 381.476 4.147 20 0 GIADLO CN(c1nc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cs1)C1CC1 ZINC000122877475 823427471 /nfs/dbraw/zinc/42/74/71/823427471.db2.gz BQDKPBJSBNKEBC-UHFFFAOYSA-N 1 2 379.476 4.063 20 0 GIADLO Cc1cc(C)cc(OCCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410249991 823434271 /nfs/dbraw/zinc/43/42/71/823434271.db2.gz DAKXLFQTAGGZDQ-IBGZPJMESA-N 1 2 381.520 4.011 20 0 GIADLO Cc1cccc(Oc2ccc(NC(=O)CSc3nc(N)cc(C)[nH+]3)cc2)c1 ZINC000024841094 819882732 /nfs/dbraw/zinc/88/27/32/819882732.db2.gz MFOGHDYJWVACNK-UHFFFAOYSA-N 1 2 380.473 4.199 20 0 GIADLO CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410253577 823435500 /nfs/dbraw/zinc/43/55/00/823435500.db2.gz CTLFETGKFNFESQ-RXVVDRJESA-N 1 2 381.520 4.091 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(Cl)c1 ZINC000024857096 819884461 /nfs/dbraw/zinc/88/44/61/819884461.db2.gz RTBHJKLQFRMABO-INIZCTEOSA-N 1 2 399.922 4.326 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000189520544 823436384 /nfs/dbraw/zinc/43/63/84/823436384.db2.gz GRGKCQMTVULNNR-UHFFFAOYSA-N 1 2 375.885 4.214 20 0 GIADLO FC(F)C(F)(F)COc1cc(NCc2ccc(-n3ccnc3)cc2)cc[nH+]1 ZINC000573029727 823436314 /nfs/dbraw/zinc/43/63/14/823436314.db2.gz MXZFFDJRNFZFLZ-UHFFFAOYSA-N 1 2 380.345 4.159 20 0 GIADLO C[C@H](Cc1ccccc1Cl)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410257764 823436962 /nfs/dbraw/zinc/43/69/62/823436962.db2.gz SFOGWGIWDGQQPD-AEFFLSMTSA-N 1 2 385.939 4.458 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccnn1Cc1cccc2ccccc21 ZINC000189527927 823437891 /nfs/dbraw/zinc/43/78/91/823437891.db2.gz WRVBXPDPNGALCG-UHFFFAOYSA-N 1 2 396.454 4.054 20 0 GIADLO COCCc1ccccc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000189530383 823438332 /nfs/dbraw/zinc/43/83/32/823438332.db2.gz JOBLEQLPDXYGJK-YADHBBJMSA-N 1 2 390.487 4.122 20 0 GIADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000025137508 819935210 /nfs/dbraw/zinc/93/52/10/819935210.db2.gz NCCQAVCHGJCNPL-UHFFFAOYSA-N 1 2 397.466 4.304 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C2CC2)cc1 ZINC000025198023 819942853 /nfs/dbraw/zinc/94/28/53/819942853.db2.gz IWPOJFDSHHOQPT-UHFFFAOYSA-N 1 2 379.435 4.005 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C2CC2)cc1 ZINC000025198023 819942858 /nfs/dbraw/zinc/94/28/58/819942858.db2.gz IWPOJFDSHHOQPT-UHFFFAOYSA-N 1 2 379.435 4.005 20 0 GIADLO C[C@H](NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1)c1ccccc1Cl ZINC000025420298 819977732 /nfs/dbraw/zinc/97/77/32/819977732.db2.gz LNMACBFJUGOEKD-KSFYIVLOSA-N 1 2 379.891 4.291 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1Cl ZINC000025445709 819981254 /nfs/dbraw/zinc/98/12/54/819981254.db2.gz ZPAIQVHXCCZKOZ-KRWDZBQOSA-N 1 2 392.858 4.272 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1Cl ZINC000025445709 819981260 /nfs/dbraw/zinc/98/12/60/819981260.db2.gz ZPAIQVHXCCZKOZ-KRWDZBQOSA-N 1 2 392.858 4.272 20 0 GIADLO C[C@@]1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCc2ccccc21 ZINC000410271735 823443487 /nfs/dbraw/zinc/44/34/87/823443487.db2.gz KFIJVXQROARVCF-YADARESESA-N 1 2 377.532 4.220 20 0 GIADLO Cc1cc(C)cc(C2(C(=O)N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)CC2)c1 ZINC000410273187 823443880 /nfs/dbraw/zinc/44/38/80/823443880.db2.gz ZMQZJKYWPUBYNG-IBGZPJMESA-N 1 2 377.532 4.274 20 0 GIADLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]2C ZINC000189564337 823444919 /nfs/dbraw/zinc/44/49/19/823444919.db2.gz WGIYIGSDMZFHMV-GFCCVEGCSA-N 1 2 396.322 4.114 20 0 GIADLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]2C ZINC000189564337 823444920 /nfs/dbraw/zinc/44/49/20/823444920.db2.gz WGIYIGSDMZFHMV-GFCCVEGCSA-N 1 2 396.322 4.114 20 0 GIADLO C[C@@H](CCOc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410280659 823446743 /nfs/dbraw/zinc/44/67/43/823446743.db2.gz YZEJRWARDGJUBS-OALUTQOASA-N 1 2 381.520 4.031 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccccc1CCOC ZINC000189565881 823445586 /nfs/dbraw/zinc/44/55/86/823445586.db2.gz KIPWIUBMSKPSPZ-UHFFFAOYSA-N 1 2 396.535 4.041 20 0 GIADLO Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000025814939 820027955 /nfs/dbraw/zinc/02/79/55/820027955.db2.gz FQNYITOCDKFXGD-OAQYLSRUSA-N 1 2 392.524 4.320 20 0 GIADLO C[C@@H]1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C[C@H]1n1cc[nH+]c1 ZINC000122999046 823446109 /nfs/dbraw/zinc/44/61/09/823446109.db2.gz ZZMCUGJPPDACTK-CRAIPNDOSA-N 1 2 398.894 4.234 20 0 GIADLO COc1ccc(C)cc1CN1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000025927544 820040981 /nfs/dbraw/zinc/04/09/81/820040981.db2.gz SXUNQCHLAMSRHN-UHFFFAOYSA-N 1 2 379.479 4.009 20 0 GIADLO O=C(N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000410285098 823448788 /nfs/dbraw/zinc/44/87/88/823448788.db2.gz XUSLLQBGUJWOFC-MRXNPFEDSA-N 1 2 383.923 4.311 20 0 GIADLO O=C([C@H]1SCCc2sccc21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410286437 823449413 /nfs/dbraw/zinc/44/94/13/823449413.db2.gz GRCHUDKQZSUDIQ-KDOFPFPSSA-N 1 2 387.574 4.018 20 0 GIADLO COc1ccccc1-c1nc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cs1 ZINC000058795145 823453405 /nfs/dbraw/zinc/45/34/05/823453405.db2.gz YEARCBMOWOFLPY-UHFFFAOYSA-N 1 2 376.441 4.257 20 0 GIADLO C[C@@H]1CCc2c(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)csc2C1 ZINC000026215609 820070192 /nfs/dbraw/zinc/07/01/92/820070192.db2.gz CKYRIMHPQOTVSY-MRXNPFEDSA-N 1 2 379.529 4.090 20 0 GIADLO COc1ccc(C2(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CCCC2)cc1 ZINC000058795324 823453477 /nfs/dbraw/zinc/45/34/77/823453477.db2.gz JQVGRNMTCGCSDU-UHFFFAOYSA-N 1 2 389.499 4.068 20 0 GIADLO CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026303492 820080235 /nfs/dbraw/zinc/08/02/35/820080235.db2.gz NAJSTCZMBGGXPQ-UHFFFAOYSA-N 1 2 393.318 4.330 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)c(OC)c1 ZINC000026323569 820083211 /nfs/dbraw/zinc/08/32/11/820083211.db2.gz VMGFTHOBMJNYTC-AWEZNQCLSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)c(OC)c1 ZINC000026323569 820083221 /nfs/dbraw/zinc/08/32/21/820083221.db2.gz VMGFTHOBMJNYTC-AWEZNQCLSA-N 1 2 376.884 4.125 20 0 GIADLO CC[C@H](C)Oc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410291348 823451702 /nfs/dbraw/zinc/45/17/02/823451702.db2.gz NWOKZKSKRGNTMO-PKOBYXMFSA-N 1 2 381.520 4.417 20 0 GIADLO C[C@@H]1CCc2sc(C(=O)N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2C1 ZINC000410291641 823451732 /nfs/dbraw/zinc/45/17/32/823451732.db2.gz QHBTYGJKHCBGRZ-CVEARBPZSA-N 1 2 383.561 4.426 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3scnc3C(C)(C)C)n2)C1 ZINC000177392967 823452372 /nfs/dbraw/zinc/45/23/72/823452372.db2.gz QDNHODWFHQPYQP-LBPRGKRZSA-N 1 2 378.567 4.381 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3scnc3C(C)(C)C)n2)C1 ZINC000177392967 823452376 /nfs/dbraw/zinc/45/23/76/823452376.db2.gz QDNHODWFHQPYQP-LBPRGKRZSA-N 1 2 378.567 4.381 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)cc1OC(F)F ZINC000026452447 820098590 /nfs/dbraw/zinc/09/85/90/820098590.db2.gz HJXDJWUQYFIQKW-UHFFFAOYSA-N 1 2 384.810 4.021 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)cc1OC(F)F ZINC000026452447 820098599 /nfs/dbraw/zinc/09/85/99/820098599.db2.gz HJXDJWUQYFIQKW-UHFFFAOYSA-N 1 2 384.810 4.021 20 0 GIADLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000177411183 823455511 /nfs/dbraw/zinc/45/55/11/823455511.db2.gz UYIWJDUWJZFXHZ-SCLBCKFNSA-N 1 2 385.851 4.030 20 0 GIADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000026939461 820166300 /nfs/dbraw/zinc/16/63/00/820166300.db2.gz OAANVCQYKUIUCI-OAHLLOKOSA-N 1 2 390.886 4.224 20 0 GIADLO CCCn1c2nn(C[N@H+](C)CC3CCCCC3)c(=S)n2c2ccccc2c1=O ZINC000027081735 820191305 /nfs/dbraw/zinc/19/13/05/820191305.db2.gz IWVBITOCEUPGPG-UHFFFAOYSA-N 1 2 399.564 4.060 20 0 GIADLO CCCn1c2nn(C[N@@H+](C)CC3CCCCC3)c(=S)n2c2ccccc2c1=O ZINC000027081735 820191310 /nfs/dbraw/zinc/19/13/10/820191310.db2.gz IWVBITOCEUPGPG-UHFFFAOYSA-N 1 2 399.564 4.060 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ncc(C(C)(C)C)o1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000177430197 823460638 /nfs/dbraw/zinc/46/06/38/823460638.db2.gz HBAOUISRSZTAPH-CABCVRRESA-N 1 2 385.508 4.041 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(N2CCCC2)c(F)c1 ZINC000410315177 823460814 /nfs/dbraw/zinc/46/08/14/823460814.db2.gz STPBMBYEOUKKSQ-UHFFFAOYSA-N 1 2 396.510 4.131 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3COc3ccc(Cl)cc3)no2)cc1 ZINC000027238180 820214152 /nfs/dbraw/zinc/21/41/52/820214152.db2.gz YNAPAVIIUQTNMA-QGZVFWFLSA-N 1 2 399.878 4.442 20 0 GIADLO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3COc3ccc(Cl)cc3)no2)cc1 ZINC000027238180 820214157 /nfs/dbraw/zinc/21/41/57/820214157.db2.gz YNAPAVIIUQTNMA-QGZVFWFLSA-N 1 2 399.878 4.442 20 0 GIADLO C[N@H+](Cc1csc(-c2ccccc2)n1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027288104 820221028 /nfs/dbraw/zinc/22/10/28/820221028.db2.gz NNGRBSMNAGOZCY-UHFFFAOYSA-N 1 2 377.513 4.334 20 0 GIADLO C[N@@H+](Cc1csc(-c2ccccc2)n1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027288104 820221036 /nfs/dbraw/zinc/22/10/36/820221036.db2.gz NNGRBSMNAGOZCY-UHFFFAOYSA-N 1 2 377.513 4.334 20 0 GIADLO CCn1c2ccccc2n(C[N@H+](Cc2ccc(C(=O)NC)cc2)C2CC2)c1=S ZINC000027539872 820257890 /nfs/dbraw/zinc/25/78/90/820257890.db2.gz GBBOJVALTJTRBC-UHFFFAOYSA-N 1 2 394.544 4.174 20 0 GIADLO CCn1c2ccccc2n(C[N@@H+](Cc2ccc(C(=O)NC)cc2)C2CC2)c1=S ZINC000027539872 820257898 /nfs/dbraw/zinc/25/78/98/820257898.db2.gz GBBOJVALTJTRBC-UHFFFAOYSA-N 1 2 394.544 4.174 20 0 GIADLO Cc1cc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000027545327 820258363 /nfs/dbraw/zinc/25/83/63/820258363.db2.gz IBQRMEZCYVFPMR-UHFFFAOYSA-N 1 2 378.442 4.249 20 0 GIADLO C[C@H](SCc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410328917 823464734 /nfs/dbraw/zinc/46/47/34/823464734.db2.gz UUCAOEMQXXLRHU-HKUYNNGSSA-N 1 2 383.561 4.247 20 0 GIADLO C[C@H](CCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000123125810 823466644 /nfs/dbraw/zinc/46/66/44/823466644.db2.gz ZGDAFYOYYYTRSF-LJQANCHMSA-N 1 2 379.548 4.422 20 0 GIADLO C#Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000058886377 823466809 /nfs/dbraw/zinc/46/68/09/823466809.db2.gz YEFYIBZIBPTPGA-UHFFFAOYSA-N 1 2 387.405 4.036 20 0 GIADLO O=C(CCOc1cccc(Cl)c1Cl)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000573232186 823468433 /nfs/dbraw/zinc/46/84/33/823468433.db2.gz UPQSCHPRXSNWPP-UHFFFAOYSA-N 1 2 391.258 4.041 20 0 GIADLO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123170979 823473596 /nfs/dbraw/zinc/47/35/96/823473596.db2.gz IXPMEWUMLHUSJC-KDOFPFPSSA-N 1 2 398.507 4.101 20 0 GIADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC000028927734 820374457 /nfs/dbraw/zinc/37/44/57/820374457.db2.gz YCKIUYABFJVVIR-GOSISDBHSA-N 1 2 396.487 4.001 20 0 GIADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC000028927734 820374463 /nfs/dbraw/zinc/37/44/63/820374463.db2.gz YCKIUYABFJVVIR-GOSISDBHSA-N 1 2 396.487 4.001 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)n2)CC1 ZINC000028933807 820375707 /nfs/dbraw/zinc/37/57/07/820375707.db2.gz ZNEORCZMNWWNBE-UHFFFAOYSA-N 1 2 399.495 4.157 20 0 GIADLO COc1cccc(N2CC[NH+](Cc3coc(-c4cccc(Cl)c4)n3)CC2)c1 ZINC000028965999 820377699 /nfs/dbraw/zinc/37/76/99/820377699.db2.gz BDQZIHFMYPUKPG-UHFFFAOYSA-N 1 2 383.879 4.326 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1c2ccccc2Oc2ccccc21 ZINC000029027373 820385501 /nfs/dbraw/zinc/38/55/01/820385501.db2.gz IDJUQSNIMLOKKZ-UHFFFAOYSA-N 1 2 395.462 4.485 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccc(Br)s1 ZINC000029157937 820402057 /nfs/dbraw/zinc/40/20/57/820402057.db2.gz MBVOIKSEXLRZCZ-VIFPVBQESA-N 1 2 389.265 4.248 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccc(Br)s1 ZINC000029157937 820402062 /nfs/dbraw/zinc/40/20/62/820402062.db2.gz MBVOIKSEXLRZCZ-VIFPVBQESA-N 1 2 389.265 4.248 20 0 GIADLO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)s2)cc1 ZINC000029157905 820402116 /nfs/dbraw/zinc/40/21/16/820402116.db2.gz BWMZQIQBPYFRQG-LBPRGKRZSA-N 1 2 397.338 4.368 20 0 GIADLO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)s2)cc1 ZINC000029157905 820402121 /nfs/dbraw/zinc/40/21/21/820402121.db2.gz BWMZQIQBPYFRQG-LBPRGKRZSA-N 1 2 397.338 4.368 20 0 GIADLO CCCOc1ccc(C(=O)CCC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000058958500 823476376 /nfs/dbraw/zinc/47/63/76/823476376.db2.gz RXCPEYZAJSVPKB-UHFFFAOYSA-N 1 2 398.503 4.117 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCC(=O)c2ccc3ccccc3c2)c1C ZINC000058958260 823476413 /nfs/dbraw/zinc/47/64/13/823476413.db2.gz FSLMPJXDFJBYEO-UHFFFAOYSA-N 1 2 390.483 4.482 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)CCCc3nc4ccccc4[nH]3)n2)CC1 ZINC000029258423 820421822 /nfs/dbraw/zinc/42/18/22/820421822.db2.gz KKLPFSLCLQYFEZ-UHFFFAOYSA-N 1 2 397.548 4.213 20 0 GIADLO Cc1cccc(C[NH+](CCOCC(F)(F)C(F)F)Cc2cccc(C)n2)n1 ZINC000189708536 823480007 /nfs/dbraw/zinc/48/00/07/823480007.db2.gz GCDBZGIFLRVDAZ-UHFFFAOYSA-N 1 2 385.405 4.013 20 0 GIADLO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029536126 820470606 /nfs/dbraw/zinc/47/06/06/820470606.db2.gz ACCVZFDOCUTXMY-ILBGXUMGSA-N 1 2 389.495 4.167 20 0 GIADLO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029536126 820470614 /nfs/dbraw/zinc/47/06/14/820470614.db2.gz ACCVZFDOCUTXMY-ILBGXUMGSA-N 1 2 389.495 4.167 20 0 GIADLO CC[C@](C)(O)C[N@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccccc1 ZINC000189722917 823482149 /nfs/dbraw/zinc/48/21/49/823482149.db2.gz DYAQVBLKGZMNNB-QHCPKHFHSA-N 1 2 379.504 4.018 20 0 GIADLO CC[C@](C)(O)C[N@@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccccc1 ZINC000189722917 823482151 /nfs/dbraw/zinc/48/21/51/823482151.db2.gz DYAQVBLKGZMNNB-QHCPKHFHSA-N 1 2 379.504 4.018 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000029695467 820499282 /nfs/dbraw/zinc/49/92/82/820499282.db2.gz CKMOUNMRGJEPIH-UHFFFAOYSA-N 1 2 395.524 4.468 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000029695467 820499285 /nfs/dbraw/zinc/49/92/85/820499285.db2.gz CKMOUNMRGJEPIH-UHFFFAOYSA-N 1 2 395.524 4.468 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc(C)c3)no2)c(OC)c1 ZINC000029707247 820502601 /nfs/dbraw/zinc/50/26/01/820502601.db2.gz PZLDOAMMGSZZAS-IBGZPJMESA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc(C)c3)no2)c(OC)c1 ZINC000029707247 820502605 /nfs/dbraw/zinc/50/26/05/820502605.db2.gz PZLDOAMMGSZZAS-IBGZPJMESA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cncc(Br)c2)c(OC)c1 ZINC000029706906 820502711 /nfs/dbraw/zinc/50/27/11/820502711.db2.gz BQLJNEFVCGCKPN-KRWDZBQOSA-N 1 2 377.282 4.198 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cncc(Br)c2)c(OC)c1 ZINC000029706906 820502716 /nfs/dbraw/zinc/50/27/16/820502716.db2.gz BQLJNEFVCGCKPN-KRWDZBQOSA-N 1 2 377.282 4.198 20 0 GIADLO CCOC(=O)c1ccc2c(c1)nc(C[NH2+]C1(c3nccs3)CCCC1)n2CC ZINC000573360395 823484445 /nfs/dbraw/zinc/48/44/45/823484445.db2.gz LAWSGKPAGHFUNU-UHFFFAOYSA-N 1 2 398.532 4.249 20 0 GIADLO Cc1cccc(-c2noc(C[N@@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)n2)c1 ZINC000029713163 820504574 /nfs/dbraw/zinc/50/45/74/820504574.db2.gz QRVKISUJAPYDBN-UHFFFAOYSA-N 1 2 396.922 4.406 20 0 GIADLO Cc1cccc(-c2noc(C[N@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)n2)c1 ZINC000029713163 820504579 /nfs/dbraw/zinc/50/45/79/820504579.db2.gz QRVKISUJAPYDBN-UHFFFAOYSA-N 1 2 396.922 4.406 20 0 GIADLO Cn1ccnc1[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccccc1Cl ZINC000573371112 823485765 /nfs/dbraw/zinc/48/57/65/823485765.db2.gz POTKRKQECNAIMT-QUCCMNQESA-N 1 2 387.936 4.302 20 0 GIADLO CCCCOc1ccc([C@H](C)NC(=O)Nc2ccn3cc[nH+]c3c2)cc1OC ZINC000573371442 823485824 /nfs/dbraw/zinc/48/58/24/823485824.db2.gz ZISJYDJWYUIGBM-HNNXBMFYSA-N 1 2 382.464 4.405 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(-c3ncco3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189748035 823486971 /nfs/dbraw/zinc/48/69/71/823486971.db2.gz OXUOYDICBLXNIB-MOPGFXCFSA-N 1 2 398.413 4.187 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(-c3ncco3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189748035 823486973 /nfs/dbraw/zinc/48/69/73/823486973.db2.gz OXUOYDICBLXNIB-MOPGFXCFSA-N 1 2 398.413 4.187 20 0 GIADLO Cc1cc(Br)c2c(c1)C[N@@H+](Cc1c[nH]nc1-c1cccnc1)CC2 ZINC000189752242 823487946 /nfs/dbraw/zinc/48/79/46/823487946.db2.gz XFJRYEFNNMVESJ-UHFFFAOYSA-N 1 2 383.293 4.101 20 0 GIADLO Cc1cc(Br)c2c(c1)C[N@H+](Cc1c[nH]nc1-c1cccnc1)CC2 ZINC000189752242 823487947 /nfs/dbraw/zinc/48/79/47/823487947.db2.gz XFJRYEFNNMVESJ-UHFFFAOYSA-N 1 2 383.293 4.101 20 0 GIADLO CC(C)(C)CN1CCC[C@@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1=O ZINC000460706320 823488615 /nfs/dbraw/zinc/48/86/15/823488615.db2.gz LNDMNEAGHMYCQJ-HXUWFJFHSA-N 1 2 378.520 4.051 20 0 GIADLO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@@H]2c2csc(C)n2)c(Cl)c1 ZINC000189755138 823488770 /nfs/dbraw/zinc/48/87/70/823488770.db2.gz MYGSVKIDELZNCV-MRXNPFEDSA-N 1 2 380.897 4.107 20 0 GIADLO COC(=O)c1ccc(OCC[N@H+]2CCC[C@@H]2c2csc(C)n2)c(Cl)c1 ZINC000189755138 823488773 /nfs/dbraw/zinc/48/87/73/823488773.db2.gz MYGSVKIDELZNCV-MRXNPFEDSA-N 1 2 380.897 4.107 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2nc3sc(C)c(C)c3c(N)n2)c(C)c1OC ZINC000573469706 823493843 /nfs/dbraw/zinc/49/38/43/823493843.db2.gz HLBVZKMCOSCLJU-GFCCVEGCSA-N 1 2 386.521 4.067 20 0 GIADLO O=C(CSCc1cccc(Cl)c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030219657 820588848 /nfs/dbraw/zinc/58/88/48/820588848.db2.gz KQKCSOYBEQJDJU-UHFFFAOYSA-N 1 2 385.920 4.134 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(-n3cccc3)c2)C[C@@H](C)O1 ZINC000059308648 823491060 /nfs/dbraw/zinc/49/10/60/823491060.db2.gz ZFINXEMEDFZSAA-RTBURBONSA-N 1 2 389.499 4.339 20 0 GIADLO CSCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000189779235 823493110 /nfs/dbraw/zinc/49/31/10/823493110.db2.gz MLUXCHLKEKUICP-OALUTQOASA-N 1 2 391.487 4.395 20 0 GIADLO CSCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000189779235 823493113 /nfs/dbraw/zinc/49/31/13/823493113.db2.gz MLUXCHLKEKUICP-OALUTQOASA-N 1 2 391.487 4.395 20 0 GIADLO Cc1cccc2nc(C3CC[NH+](CC(=O)Nc4cc(C(C)(C)C)no4)CC3)oc21 ZINC000189808465 823498576 /nfs/dbraw/zinc/49/85/76/823498576.db2.gz DLKZTKKUVIFSDG-UHFFFAOYSA-N 1 2 396.491 4.240 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000410496892 823499786 /nfs/dbraw/zinc/49/97/86/823499786.db2.gz HLRMYMXZMXIMFJ-FCHUYYIVSA-N 1 2 378.516 4.350 20 0 GIADLO O=C(NCc1ccccc1F)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031092467 820738228 /nfs/dbraw/zinc/73/82/28/820738228.db2.gz GTVPLUDNODQTHZ-GOSISDBHSA-N 1 2 393.865 4.255 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCCOc3ccccc3F)n2)C1 ZINC000059877465 823501028 /nfs/dbraw/zinc/50/10/28/823501028.db2.gz WANXTKLGSCAFDY-OAHLLOKOSA-N 1 2 391.512 4.312 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCOc3ccccc3F)n2)C1 ZINC000059877465 823501030 /nfs/dbraw/zinc/50/10/30/823501030.db2.gz WANXTKLGSCAFDY-OAHLLOKOSA-N 1 2 391.512 4.312 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)CCCOc3cccc(F)c3)n2)CC1 ZINC000059877545 823501035 /nfs/dbraw/zinc/50/10/35/823501035.db2.gz MGVKBDSSOPJWCG-UHFFFAOYSA-N 1 2 391.512 4.312 20 0 GIADLO C[C@H]1CCN(C(=O)CCc2cccc(OC3CCCC3)c2)C[C@H]1n1cc[nH+]c1 ZINC000123361561 823501390 /nfs/dbraw/zinc/50/13/90/823501390.db2.gz CGDBEQCIDWRIMR-PGRDOPGGSA-N 1 2 381.520 4.247 20 0 GIADLO C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000031215232 820772049 /nfs/dbraw/zinc/77/20/49/820772049.db2.gz ROISWFVXCDSOPN-KRWDZBQOSA-N 1 2 394.906 4.045 20 0 GIADLO COc1ccc2cc(C(=O)Nc3nc(C[N@@H+]4CCC[C@@H](C)C4)cs3)[nH]c2c1 ZINC000031257865 820779692 /nfs/dbraw/zinc/77/96/92/820779692.db2.gz UEEOVVQAHVRNSU-CYBMUJFWSA-N 1 2 384.505 4.117 20 0 GIADLO COc1ccc2cc(C(=O)Nc3nc(C[N@H+]4CCC[C@@H](C)C4)cs3)[nH]c2c1 ZINC000031257865 820779696 /nfs/dbraw/zinc/77/96/96/820779696.db2.gz UEEOVVQAHVRNSU-CYBMUJFWSA-N 1 2 384.505 4.117 20 0 GIADLO Fc1cc(Br)ccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177618888 823502435 /nfs/dbraw/zinc/50/24/35/823502435.db2.gz XOKNCOASLWKOJU-KRWDZBQOSA-N 1 2 386.305 4.138 20 0 GIADLO CC[C@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C1CCC(C)CC1 ZINC000460760631 823505940 /nfs/dbraw/zinc/50/59/40/823505940.db2.gz UJAUTOVHJZXRHO-AJTFCVKESA-N 1 2 399.579 4.058 20 0 GIADLO C[C@H]1CCC[C@H]([NH+](CC(=O)Nc2ccccc2)CC(=O)Nc2ccccc2)C1 ZINC000031471596 820815265 /nfs/dbraw/zinc/81/52/65/820815265.db2.gz KHIRIAWHVXZKGI-RXVVDRJESA-N 1 2 379.504 4.145 20 0 GIADLO Cc1ccc(S[C@H](C)C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000031493846 820817477 /nfs/dbraw/zinc/81/74/77/820817477.db2.gz VNJDAZODPNQKIN-GOSISDBHSA-N 1 2 398.576 4.046 20 0 GIADLO Cn1c[nH+]cc1CCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000189861506 823507342 /nfs/dbraw/zinc/50/73/42/823507342.db2.gz OTXQQIVDOWEAIF-UHFFFAOYSA-N 1 2 395.315 4.346 20 0 GIADLO Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000177659205 823509288 /nfs/dbraw/zinc/50/92/88/823509288.db2.gz JHMFEVNLTNTIJS-UHFFFAOYSA-N 1 2 397.482 4.122 20 0 GIADLO O=C(CCc1cccs1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031894948 820871640 /nfs/dbraw/zinc/87/16/40/820871640.db2.gz TWJNWHVISVGHMD-QGZVFWFLSA-N 1 2 380.916 4.427 20 0 GIADLO O=C(Cc1cccc(F)c1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031897652 820872424 /nfs/dbraw/zinc/87/24/24/820872424.db2.gz PUEYCCOPYHKFNX-SFHVURJKSA-N 1 2 378.850 4.114 20 0 GIADLO CC(C)Oc1cccc(CN(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000123518649 823516683 /nfs/dbraw/zinc/51/66/83/823516683.db2.gz HLMOKOIRPGIHPT-UHFFFAOYSA-N 1 2 396.466 4.140 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccccc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000177722816 823516731 /nfs/dbraw/zinc/51/67/31/823516731.db2.gz RUPAXZISOIDOIZ-QAPCUYQASA-N 1 2 381.505 4.045 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccccc3OCC(F)F)cn2c1 ZINC000123545118 823519679 /nfs/dbraw/zinc/51/96/79/823519679.db2.gz VQHKFAXYTXRBAW-UHFFFAOYSA-N 1 2 391.443 4.159 20 0 GIADLO O=C([C@@H]1CCSc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000460814096 823519976 /nfs/dbraw/zinc/51/99/76/823519976.db2.gz FSZOWHNUNPCFKH-VHTFYLNKSA-N 1 2 378.541 4.124 20 0 GIADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000032712203 820995509 /nfs/dbraw/zinc/99/55/09/820995509.db2.gz GOYLJLRUCRCIMZ-UHFFFAOYSA-N 1 2 398.506 4.020 20 0 GIADLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2cc(Br)cs2)cc1C ZINC000061024999 823573910 /nfs/dbraw/zinc/57/39/10/823573910.db2.gz RKDKGLFGCBDLSE-CQSZACIVSA-N 1 2 395.366 4.437 20 0 GIADLO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@@H](C)c4ccc(S(C)(=O)=O)cc4)C3)[nH]c2c1 ZINC000189979741 823520855 /nfs/dbraw/zinc/52/08/55/823520855.db2.gz PXWVRVWROQPEEP-FUHWJXTLSA-N 1 2 397.544 4.215 20 0 GIADLO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@@H](C)c4ccc(S(C)(=O)=O)cc4)C3)[nH]c2c1 ZINC000189979741 823520856 /nfs/dbraw/zinc/52/08/56/823520856.db2.gz PXWVRVWROQPEEP-FUHWJXTLSA-N 1 2 397.544 4.215 20 0 GIADLO OCC[N@H+](Cc1ccc(Cl)s1)Cc1cc(Br)ccc1F ZINC000060381451 823521909 /nfs/dbraw/zinc/52/19/09/823521909.db2.gz ZGSBRJFMPVROTP-UHFFFAOYSA-N 1 2 378.694 4.298 20 0 GIADLO OCC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(Br)ccc1F ZINC000060381451 823521911 /nfs/dbraw/zinc/52/19/11/823521911.db2.gz ZGSBRJFMPVROTP-UHFFFAOYSA-N 1 2 378.694 4.298 20 0 GIADLO COc1ccc([C@H]2CCCCCN2C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177768124 823523204 /nfs/dbraw/zinc/52/32/04/823523204.db2.gz LDACRFICLZVUOT-HXUWFJFHSA-N 1 2 378.476 4.170 20 0 GIADLO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177767984 823523230 /nfs/dbraw/zinc/52/32/30/823523230.db2.gz YCDQICTYUVGCCK-LBPRGKRZSA-N 1 2 394.422 4.125 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000177768650 823523545 /nfs/dbraw/zinc/52/35/45/823523545.db2.gz PYKRZACBRHGKBV-UHFFFAOYSA-N 1 2 388.393 4.227 20 0 GIADLO C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000177775810 823524569 /nfs/dbraw/zinc/52/45/69/823524569.db2.gz ADIYQNKXKMXGNL-WTNAPCKOSA-N 1 2 392.478 4.404 20 0 GIADLO CC1CCN(c2nn(C[N@H+](C3CC3)C3CCCC3)c(=S)n2C2CC2)CC1 ZINC000040091185 821135879 /nfs/dbraw/zinc/13/58/79/821135879.db2.gz QUOICHWTYJPLFD-UHFFFAOYSA-N 1 2 375.586 4.350 20 0 GIADLO CC1CCN(c2nn(C[N@@H+](C3CC3)C3CCCC3)c(=S)n2C2CC2)CC1 ZINC000040091185 821135884 /nfs/dbraw/zinc/13/58/84/821135884.db2.gz QUOICHWTYJPLFD-UHFFFAOYSA-N 1 2 375.586 4.350 20 0 GIADLO CCCC[C@H](C)N(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000460884882 823535979 /nfs/dbraw/zinc/53/59/79/823535979.db2.gz PPJVKMJQKOOFBF-AWEZNQCLSA-N 1 2 395.345 4.168 20 0 GIADLO CC[N@@H+]1CCCC[C@H]1C(=O)Oc1ccc(N(C)C(=O)c2ccc(C)cc2)cc1 ZINC000123724262 823535186 /nfs/dbraw/zinc/53/51/86/823535186.db2.gz ZIBDVMOAGMHQEX-NRFANRHFSA-N 1 2 380.488 4.051 20 0 GIADLO CC[N@H+]1CCCC[C@H]1C(=O)Oc1ccc(N(C)C(=O)c2ccc(C)cc2)cc1 ZINC000123724262 823535189 /nfs/dbraw/zinc/53/51/89/823535189.db2.gz ZIBDVMOAGMHQEX-NRFANRHFSA-N 1 2 380.488 4.051 20 0 GIADLO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000123741853 823536591 /nfs/dbraw/zinc/53/65/91/823536591.db2.gz RNCGELVUNIRYGT-SIKLNZKXSA-N 1 2 388.515 4.327 20 0 GIADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Oc2ccc3ccccc3c2)c1 ZINC000060549572 823541227 /nfs/dbraw/zinc/54/12/27/823541227.db2.gz BAWNGBCKDONMGX-UHFFFAOYSA-N 1 2 385.423 4.284 20 0 GIADLO COc1cc(-c2ccccc2)sc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123772700 823539406 /nfs/dbraw/zinc/53/94/06/823539406.db2.gz OQKOALBIIZHVGA-WBVHZDCISA-N 1 2 381.501 4.344 20 0 GIADLO O=C(/C=C/c1ccc(Br)o1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000042051318 821258136 /nfs/dbraw/zinc/25/81/36/821258136.db2.gz PWIDACGSFNHWLG-FNORWQNLSA-N 1 2 396.310 4.136 20 0 GIADLO CCOC(=O)C1CC[NH+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000042248005 821291120 /nfs/dbraw/zinc/29/11/20/821291120.db2.gz SRKDFKMDHUAMJR-LBPRGKRZSA-N 1 2 397.397 4.092 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000042287461 821295664 /nfs/dbraw/zinc/29/56/64/821295664.db2.gz DQZSISHWQNBONV-MBNRZODZSA-N 1 2 397.950 4.306 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000042534982 821309734 /nfs/dbraw/zinc/30/97/34/821309734.db2.gz LBLNPICCANOSHW-INIZCTEOSA-N 1 2 375.428 4.027 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000042534986 821309981 /nfs/dbraw/zinc/30/99/81/821309981.db2.gz LBLNPICCANOSHW-MRXNPFEDSA-N 1 2 375.428 4.027 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C)cc3)CC2)c(OC)c1 ZINC000042539832 821310341 /nfs/dbraw/zinc/31/03/41/821310341.db2.gz RHCLVPRFASHAIN-QGZVFWFLSA-N 1 2 380.488 4.129 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C)cc3)CC2)c(OC)c1 ZINC000042539832 821310350 /nfs/dbraw/zinc/31/03/50/821310350.db2.gz RHCLVPRFASHAIN-QGZVFWFLSA-N 1 2 380.488 4.129 20 0 GIADLO O=C(CCSc1ccccc1Cl)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000042636245 821317089 /nfs/dbraw/zinc/31/70/89/821317089.db2.gz PYAXJOPEZJWRPO-UHFFFAOYSA-N 1 2 375.925 4.134 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC(c4ccccc4)CC3)cn2c1 ZINC000042724434 821327271 /nfs/dbraw/zinc/32/72/71/821327271.db2.gz GGILKVQMLBSMPA-UHFFFAOYSA-N 1 2 379.529 4.282 20 0 GIADLO CC(C)Cc1ccc([C@H](NC(=O)NCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000043312305 821390345 /nfs/dbraw/zinc/39/03/45/821390345.db2.gz LVPOJIDGLDEFMI-FQEVSTJZSA-N 1 2 382.533 4.232 20 0 GIADLO CCCOc1ccccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043452434 821409402 /nfs/dbraw/zinc/40/94/02/821409402.db2.gz NSRXGUYSVMDAMX-UHFFFAOYSA-N 1 2 378.476 4.084 20 0 GIADLO O=C(NCc1ccc(C(F)(F)F)cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517092 821421224 /nfs/dbraw/zinc/42/12/24/821421224.db2.gz MMKVKIXMEJUENM-UHFFFAOYSA-N 1 2 398.454 4.470 20 0 GIADLO Cc1ccsc1CN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000043546599 821423725 /nfs/dbraw/zinc/42/37/25/821423725.db2.gz YAQLZKBPHJIRMY-ZDUSSCGKSA-N 1 2 378.567 4.409 20 0 GIADLO Cc1ccsc1CN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000043546599 821423730 /nfs/dbraw/zinc/42/37/30/821423730.db2.gz YAQLZKBPHJIRMY-ZDUSSCGKSA-N 1 2 378.567 4.409 20 0 GIADLO CCc1cc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)ccc1C ZINC000180748892 821432269 /nfs/dbraw/zinc/43/22/69/821432269.db2.gz ZUJQRGHNGHRKRM-UHFFFAOYSA-N 1 2 376.460 4.035 20 0 GIADLO FC(F)(F)c1ccc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccnc3)CCO2)cc1 ZINC000180776271 821449836 /nfs/dbraw/zinc/44/98/36/821449836.db2.gz TXYOZRHJKCHUPT-SFHVURJKSA-N 1 2 388.393 4.064 20 0 GIADLO FC(F)(F)c1ccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccnc3)CCO2)cc1 ZINC000180776271 821449841 /nfs/dbraw/zinc/44/98/41/821449841.db2.gz TXYOZRHJKCHUPT-SFHVURJKSA-N 1 2 388.393 4.064 20 0 GIADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000180798300 821464162 /nfs/dbraw/zinc/46/41/62/821464162.db2.gz UNISOSWSIAETTG-PGRDOPGGSA-N 1 2 381.520 4.227 20 0 GIADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000180798300 821464171 /nfs/dbraw/zinc/46/41/71/821464171.db2.gz UNISOSWSIAETTG-PGRDOPGGSA-N 1 2 381.520 4.227 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(-n2cccn2)cc1 ZINC000180822383 821480884 /nfs/dbraw/zinc/48/08/84/821480884.db2.gz OGMPNBOHURTOFH-CYBMUJFWSA-N 1 2 381.386 4.051 20 0 GIADLO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180827265 821483761 /nfs/dbraw/zinc/48/37/61/821483761.db2.gz QXWADQLFIYYMKA-KSFYIVLOSA-N 1 2 394.494 4.423 20 0 GIADLO S=C(Nc1cc(Cl)cc(Cl)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000044083212 821518917 /nfs/dbraw/zinc/51/89/17/821518917.db2.gz FQFICYMEBQFQGC-UHFFFAOYSA-N 1 2 381.332 4.344 20 0 GIADLO S=C(Nc1ccc(Cl)cc1Cl)NC1CCN(c2cccc[nH+]2)CC1 ZINC000044083110 821518946 /nfs/dbraw/zinc/51/89/46/821518946.db2.gz OETQRHAKNXQQCK-UHFFFAOYSA-N 1 2 381.332 4.344 20 0 GIADLO O=C(Nc1ccc(SC2CCCC2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044344991 821574524 /nfs/dbraw/zinc/57/45/24/821574524.db2.gz YXFFPGZAIHTEIJ-UHFFFAOYSA-N 1 2 382.533 4.470 20 0 GIADLO CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000181040788 821607763 /nfs/dbraw/zinc/60/77/63/821607763.db2.gz UZYIQCDOSMAFGC-KKSFZXQISA-N 1 2 386.455 4.347 20 0 GIADLO O=C(CSCc1cccnc1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568144 821610397 /nfs/dbraw/zinc/61/03/97/821610397.db2.gz ZADBCTNRIXCDKT-UHFFFAOYSA-N 1 2 378.501 4.153 20 0 GIADLO CCOc1ccccc1OCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568187 821610446 /nfs/dbraw/zinc/61/04/46/821610446.db2.gz SFUKNHFHMZNRFI-UHFFFAOYSA-N 1 2 391.471 4.303 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181093212 821629186 /nfs/dbraw/zinc/62/91/86/821629186.db2.gz WSBPLYUMXYNBQB-CQSZACIVSA-N 1 2 399.445 4.239 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181093212 821629192 /nfs/dbraw/zinc/62/91/92/821629192.db2.gz WSBPLYUMXYNBQB-CQSZACIVSA-N 1 2 399.445 4.239 20 0 GIADLO Cc1nscc1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000181139843 821658641 /nfs/dbraw/zinc/65/86/41/821658641.db2.gz FBLMOICMWHIOME-SFHVURJKSA-N 1 2 383.542 4.042 20 0 GIADLO Cc1nscc1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000181139843 821658647 /nfs/dbraw/zinc/65/86/47/821658647.db2.gz FBLMOICMWHIOME-SFHVURJKSA-N 1 2 383.542 4.042 20 0 GIADLO COc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccc(OC)c(OC)c3)o2)cc1 ZINC000045004574 821689140 /nfs/dbraw/zinc/68/91/40/821689140.db2.gz IOMDZMQZTQDFSM-SFHVURJKSA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc(OC)c(OC)c3)o2)cc1 ZINC000045004574 821689145 /nfs/dbraw/zinc/68/91/45/821689145.db2.gz IOMDZMQZTQDFSM-SFHVURJKSA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccccc1[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000181200101 821692544 /nfs/dbraw/zinc/69/25/44/821692544.db2.gz DDLAHXYONLIESM-JOCHJYFZSA-N 1 2 385.423 4.222 20 0 GIADLO c1ccc(CCc2noc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181235785 821711595 /nfs/dbraw/zinc/71/15/95/821711595.db2.gz GKUROIHZACSAPJ-CTNGQTDRSA-N 1 2 377.488 4.112 20 0 GIADLO Cc1nn(-c2ccccc2)cc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000181238007 821712968 /nfs/dbraw/zinc/71/29/68/821712968.db2.gz ZISLWPDYJYGEEZ-UHFFFAOYSA-N 1 2 391.500 4.009 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181265800 821724400 /nfs/dbraw/zinc/72/44/00/821724400.db2.gz AZBNIZUBPCSGKP-CABCVRRESA-N 1 2 378.432 4.105 20 0 GIADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(-c3ccc(Br)cc3)[nH]1)CC2 ZINC000181275250 821728086 /nfs/dbraw/zinc/72/80/86/821728086.db2.gz CVESYIZQGFIDQC-KRWDZBQOSA-N 1 2 399.292 4.020 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)c1ccc(F)cc1 ZINC000181276688 821729081 /nfs/dbraw/zinc/72/90/81/821729081.db2.gz NPLLWPVUTNXGIY-LLVKDONJSA-N 1 2 375.245 4.224 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)n2)cc1 ZINC000181351449 821780409 /nfs/dbraw/zinc/78/04/09/821780409.db2.gz JRSJUGDSLGVZBJ-INIZCTEOSA-N 1 2 390.487 4.277 20 0 GIADLO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1cccc(Cl)c1O ZINC000181384998 821798888 /nfs/dbraw/zinc/79/88/88/821798888.db2.gz ICKZBWNEEBGZQC-HNNXBMFYSA-N 1 2 387.911 4.153 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1nnc(-c2ccccc2)o1 ZINC000181393330 821803017 /nfs/dbraw/zinc/80/30/17/821803017.db2.gz XYFDCLNSUDRVLI-HOTGVXAUSA-N 1 2 376.460 4.275 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)c1cccc(N2CCCC2=O)c1 ZINC000181393800 821804349 /nfs/dbraw/zinc/80/43/49/821804349.db2.gz XQTQIFXZTWSDHF-CVEARBPZSA-N 1 2 376.460 4.275 20 0 GIADLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1cccc(N2CCCC2=O)c1 ZINC000181411318 821811070 /nfs/dbraw/zinc/81/10/70/821811070.db2.gz MNJUDYXUMDOGKY-OAHLLOKOSA-N 1 2 379.435 4.458 20 0 GIADLO C[C@@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1cccc(N2CCCC2=O)c1 ZINC000181423095 821818769 /nfs/dbraw/zinc/81/87/69/821818769.db2.gz HDMUOXULAJRTRX-OAHLLOKOSA-N 1 2 379.435 4.458 20 0 GIADLO CCCn1c2ccccc2[nH+]c1NCc1ccc(OCc2noc(C)n2)cc1 ZINC000181479176 821844739 /nfs/dbraw/zinc/84/47/39/821844739.db2.gz VWACKALYDTZTBJ-UHFFFAOYSA-N 1 2 377.448 4.329 20 0 GIADLO CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(OC)cc1 ZINC000181575055 821885655 /nfs/dbraw/zinc/88/56/55/821885655.db2.gz KVLSUFGMNGHJHH-DZFGPLHGSA-N 1 2 388.458 4.029 20 0 GIADLO CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(OC)cc1 ZINC000181575055 821885663 /nfs/dbraw/zinc/88/56/63/821885663.db2.gz KVLSUFGMNGHJHH-DZFGPLHGSA-N 1 2 388.458 4.029 20 0 GIADLO COC[C@H]([NH2+]Cc1csc(-c2ccc(C(=O)OC)cc2)n1)c1ccccc1 ZINC000181650468 821922841 /nfs/dbraw/zinc/92/28/41/821922841.db2.gz CBBWALNNDSUIHO-IBGZPJMESA-N 1 2 382.485 4.074 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)ccc1OCC(C)C ZINC000181712562 821955740 /nfs/dbraw/zinc/95/57/40/821955740.db2.gz HGWAKHMNBJTREQ-OAHLLOKOSA-N 1 2 384.524 4.385 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1c(F)cccc1Cl ZINC000181738293 821969601 /nfs/dbraw/zinc/96/96/01/821969601.db2.gz LMXUPROQLHZCCH-SNVBAGLBSA-N 1 2 377.815 4.326 20 0 GIADLO CCC[C@@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(C)cc2)s1)c1ccccc1 ZINC000181780208 821989432 /nfs/dbraw/zinc/98/94/32/821989432.db2.gz NUXQHBSIZGKKDT-LJQANCHMSA-N 1 2 394.544 4.408 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(N4CCCC4)c3)n2)cc1 ZINC000181883469 822025801 /nfs/dbraw/zinc/02/58/01/822025801.db2.gz TYNCEPQEUVJLBT-INIZCTEOSA-N 1 2 378.476 4.196 20 0 GIADLO Cc1nscc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000181979975 822051899 /nfs/dbraw/zinc/05/18/99/822051899.db2.gz OOSFDYLLJHQXIG-UHFFFAOYSA-N 1 2 384.332 4.153 20 0 GIADLO Cc1ccccc1-c1nc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)no1 ZINC000181987056 822054086 /nfs/dbraw/zinc/05/40/86/822054086.db2.gz NXOKUSJOZMMLNR-OAQYLSRUSA-N 1 2 379.460 4.303 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(C(F)(F)F)cc1Cl ZINC000182078145 822084149 /nfs/dbraw/zinc/08/41/49/822084149.db2.gz VJFGBCPKTNULOF-UHFFFAOYSA-N 1 2 379.769 4.475 20 0 GIADLO COCc1noc(C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C(C)C)n1 ZINC000182082475 822086000 /nfs/dbraw/zinc/08/60/00/822086000.db2.gz RRSWFHSHXRONMC-UHFFFAOYSA-N 1 2 375.469 4.494 20 0 GIADLO COCc1noc(C[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C(C)C)n1 ZINC000182082475 822086008 /nfs/dbraw/zinc/08/60/08/822086008.db2.gz RRSWFHSHXRONMC-UHFFFAOYSA-N 1 2 375.469 4.494 20 0 GIADLO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000182205881 822146683 /nfs/dbraw/zinc/14/66/83/822146683.db2.gz FGPKFEGCNYWZOA-UHFFFAOYSA-N 1 2 397.700 4.235 20 0 GIADLO Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000182210357 822148444 /nfs/dbraw/zinc/14/84/44/822148444.db2.gz OCNUIGQFMQRBJI-UHFFFAOYSA-N 1 2 377.492 4.399 20 0 GIADLO COc1ccc2ccccc2c1-c1cc(CSc2nc(N)cc(C)[nH+]2)on1 ZINC000182250076 822168248 /nfs/dbraw/zinc/16/82/48/822168248.db2.gz OEKGNNGICGLVSB-UHFFFAOYSA-N 1 2 378.457 4.476 20 0 GIADLO COc1cc(OC)cc([C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)c2nccn2C)c1 ZINC000182302315 822193849 /nfs/dbraw/zinc/19/38/49/822193849.db2.gz YSWRPZZEVVRFGI-FGZHOGPDSA-N 1 2 395.478 4.333 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182465644 822254102 /nfs/dbraw/zinc/25/41/02/822254102.db2.gz ZXSIFZSXLXPEQN-CQSZACIVSA-N 1 2 375.398 4.149 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000182556613 822300663 /nfs/dbraw/zinc/30/06/63/822300663.db2.gz GJLAPGSKTRCYCX-HZMBPMFUSA-N 1 2 399.239 4.039 20 0 GIADLO CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178062851 822305892 /nfs/dbraw/zinc/30/58/92/822305892.db2.gz CRHUCVYBGXOXQU-UHFFFAOYSA-N 1 2 386.455 4.012 20 0 GIADLO Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1NC(=O)Nc1ccccc1 ZINC000178067187 822307841 /nfs/dbraw/zinc/30/78/41/822307841.db2.gz KRTITNCOZXHFIC-UHFFFAOYSA-N 1 2 399.454 4.217 20 0 GIADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3nc4oc(C)c(C)c4c(N)n3)oc21 ZINC000182650274 822338975 /nfs/dbraw/zinc/33/89/75/822338975.db2.gz SYBRMSFXOOHAAO-LBPRGKRZSA-N 1 2 380.448 4.418 20 0 GIADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CN1C[C@H](c3ccccc3F)CC1=O)CCC2 ZINC000182699180 822354203 /nfs/dbraw/zinc/35/42/03/822354203.db2.gz DQIHSZMGADBUFK-KDOFPFPSSA-N 1 2 387.524 4.127 20 0 GIADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CN1C[C@H](c3ccccc3F)CC1=O)CCC2 ZINC000182699180 822354209 /nfs/dbraw/zinc/35/42/09/822354209.db2.gz DQIHSZMGADBUFK-KDOFPFPSSA-N 1 2 387.524 4.127 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(Cl)cc1Br ZINC000178275891 822362149 /nfs/dbraw/zinc/36/21/49/822362149.db2.gz IJUFNLRYBDZGLG-UHFFFAOYSA-N 1 2 379.645 4.072 20 0 GIADLO CSc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000178331941 822368046 /nfs/dbraw/zinc/36/80/46/822368046.db2.gz CWMQHGPFUWPHJM-RTWAWAEBSA-N 1 2 392.528 4.333 20 0 GIADLO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)c3nnnn3-c3ccccc3)c(C)c2c1 ZINC000178341388 822369029 /nfs/dbraw/zinc/36/90/29/822369029.db2.gz RAFSPZOJTONZNI-GJZGRUSLSA-N 1 2 377.448 4.137 20 0 GIADLO Cc1ccc(OCc2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)o2)c(C)c1 ZINC000178376869 822373050 /nfs/dbraw/zinc/37/30/50/822373050.db2.gz QQVBRIRWTROERA-UHFFFAOYSA-N 1 2 375.428 4.053 20 0 GIADLO CC[N@H+](C)[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 ZINC000182853633 822379304 /nfs/dbraw/zinc/37/93/04/822379304.db2.gz LYVDOISWKFDPMQ-QAPCUYQASA-N 1 2 382.414 4.301 20 0 GIADLO CC[N@@H+](C)[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F)c1ccccc1 ZINC000182853633 822379309 /nfs/dbraw/zinc/37/93/09/822379309.db2.gz LYVDOISWKFDPMQ-QAPCUYQASA-N 1 2 382.414 4.301 20 0 GIADLO C[C@@H](Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000182883884 822385709 /nfs/dbraw/zinc/38/57/09/822385709.db2.gz ZVVCWOXQLQORLE-MRXNPFEDSA-N 1 2 395.528 4.463 20 0 GIADLO Cc1ccc([C@@H]([NH2+][C@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2Cl)cc1 ZINC000182905829 822390151 /nfs/dbraw/zinc/39/01/51/822390151.db2.gz AMRIFGKQKJBEOI-QFBILLFUSA-N 1 2 381.900 4.044 20 0 GIADLO CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000045490851 822390345 /nfs/dbraw/zinc/39/03/45/822390345.db2.gz YEJOLDHZOFISHZ-QGZVFWFLSA-N 1 2 382.508 4.029 20 0 GIADLO Cc1cc(Br)c(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)s1 ZINC000453599763 822390970 /nfs/dbraw/zinc/39/09/70/822390970.db2.gz PZNIMHUKETUKHG-LBPRGKRZSA-N 1 2 378.694 4.435 20 0 GIADLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)c(C(C)(C)C)n1 ZINC000453606234 822391913 /nfs/dbraw/zinc/39/19/13/822391913.db2.gz DCOWMLPVZBXNRQ-MRXNPFEDSA-N 1 2 377.330 4.212 20 0 GIADLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)c(C(C)(C)C)n1 ZINC000453606234 822391916 /nfs/dbraw/zinc/39/19/16/822391916.db2.gz DCOWMLPVZBXNRQ-MRXNPFEDSA-N 1 2 377.330 4.212 20 0 GIADLO CC(C)c1ccc(CN(C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000045531916 822393881 /nfs/dbraw/zinc/39/38/81/822393881.db2.gz BTTKXIJGBLVXEZ-UHFFFAOYSA-N 1 2 390.531 4.439 20 0 GIADLO O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045609320 822400006 /nfs/dbraw/zinc/40/00/06/822400006.db2.gz CIPJRMCJOXCNOA-UHFFFAOYSA-N 1 2 385.471 4.260 20 0 GIADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178808394 822412387 /nfs/dbraw/zinc/41/23/87/822412387.db2.gz ODFQMZVOKZRCFA-YDBLSZJJSA-N 1 2 399.343 4.190 20 0 GIADLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178808394 822412390 /nfs/dbraw/zinc/41/23/90/822412390.db2.gz ODFQMZVOKZRCFA-YDBLSZJJSA-N 1 2 399.343 4.190 20 0 GIADLO CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1C ZINC000045780006 822412908 /nfs/dbraw/zinc/41/29/08/822412908.db2.gz ZCSXIUIFXDGVDQ-GFCCVEGCSA-N 1 2 396.459 4.143 20 0 GIADLO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1C ZINC000045780006 822412910 /nfs/dbraw/zinc/41/29/10/822412910.db2.gz ZCSXIUIFXDGVDQ-GFCCVEGCSA-N 1 2 396.459 4.143 20 0 GIADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000183115722 822426532 /nfs/dbraw/zinc/42/65/32/822426532.db2.gz NQXMDEBFMCXCKQ-NIYFSFCBSA-N 1 2 387.936 4.044 20 0 GIADLO Cc1nc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c(C)s1 ZINC000178990006 822426844 /nfs/dbraw/zinc/42/68/44/822426844.db2.gz QZIYSJOHOGFKLT-UHFFFAOYSA-N 1 2 384.530 4.027 20 0 GIADLO Cc1nc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c(C)s1 ZINC000178990006 822426846 /nfs/dbraw/zinc/42/68/46/822426846.db2.gz QZIYSJOHOGFKLT-UHFFFAOYSA-N 1 2 384.530 4.027 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC1CCC(c2ccccc2)CC1 ZINC000046022305 822435828 /nfs/dbraw/zinc/43/58/28/822435828.db2.gz CYBNNRFZLVBILZ-UHFFFAOYSA-N 1 2 388.515 4.457 20 0 GIADLO CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000046099457 822441049 /nfs/dbraw/zinc/44/10/49/822441049.db2.gz QUQQYYRNYYMBRX-SFHVURJKSA-N 1 2 377.488 4.139 20 0 GIADLO COc1ccccc1OCc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000046105579 822441280 /nfs/dbraw/zinc/44/12/80/822441280.db2.gz VAVYBVYTPODBPU-UHFFFAOYSA-N 1 2 389.411 4.305 20 0 GIADLO Cc1cc(C)c(CNC(=O)NCc2ccccc2COCc2ccccc2)c[nH+]1 ZINC000454256150 822444439 /nfs/dbraw/zinc/44/44/39/822444439.db2.gz IPKGWQFAUAJDLP-UHFFFAOYSA-N 1 2 389.499 4.415 20 0 GIADLO CCCCOc1ccc([C@@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1OC ZINC000454282646 822450523 /nfs/dbraw/zinc/45/05/23/822450523.db2.gz SIAQYVUFSPCGEF-QGZVFWFLSA-N 1 2 385.508 4.446 20 0 GIADLO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ncc(Br)s2)c1 ZINC000179205965 822450786 /nfs/dbraw/zinc/45/07/86/822450786.db2.gz YPIMVNPPLZGLGP-LLVKDONJSA-N 1 2 382.327 4.495 20 0 GIADLO C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ncc(Br)s1 ZINC000179206646 822450971 /nfs/dbraw/zinc/45/09/71/822450971.db2.gz MAGCNJDLAKUWKU-LBPRGKRZSA-N 1 2 381.343 4.142 20 0 GIADLO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ncc(Br)s1 ZINC000179238509 822455852 /nfs/dbraw/zinc/45/58/52/822455852.db2.gz GZFVEBRQMXNGDN-CYBMUJFWSA-N 1 2 399.354 4.480 20 0 GIADLO CC(C)Cn1cc(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cn1 ZINC000183309313 822456920 /nfs/dbraw/zinc/45/69/20/822456920.db2.gz CHHSMIZEQUFILJ-UHFFFAOYSA-N 1 2 379.426 4.051 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3ncsc3c2)C[C@H](C)O1 ZINC000046342194 822463628 /nfs/dbraw/zinc/46/36/28/822463628.db2.gz BRCFGTHBQQGHAL-GJZGRUSLSA-N 1 2 381.501 4.158 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)O1 ZINC000046344558 822464045 /nfs/dbraw/zinc/46/40/45/822464045.db2.gz QCDGQBYBIQRINI-IRXDYDNUSA-N 1 2 391.471 4.203 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc3cccnc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000179318961 822465467 /nfs/dbraw/zinc/46/54/67/822465467.db2.gz UVZVDVJDRMDFGF-ICSRJNTNSA-N 1 2 382.414 4.080 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc3cccnc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000179318961 822465470 /nfs/dbraw/zinc/46/54/70/822465470.db2.gz UVZVDVJDRMDFGF-ICSRJNTNSA-N 1 2 382.414 4.080 20 0 GIADLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000179320198 822465679 /nfs/dbraw/zinc/46/56/79/822465679.db2.gz KWQJIBCMVIANLG-JPYJTQIMSA-N 1 2 388.515 4.097 20 0 GIADLO Cc1ccc(OC2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)cc1C ZINC000046398426 822469192 /nfs/dbraw/zinc/46/91/92/822469192.db2.gz MAFHWAMIWQQQBI-UHFFFAOYSA-N 1 2 389.499 4.232 20 0 GIADLO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046467749 822475754 /nfs/dbraw/zinc/47/57/54/822475754.db2.gz AHVGSDMCTRQDBP-GOSISDBHSA-N 1 2 385.512 4.022 20 0 GIADLO CC[C@@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C(F)F ZINC000454449790 822477696 /nfs/dbraw/zinc/47/76/96/822477696.db2.gz GZCYGFWQERVSFX-HXUWFJFHSA-N 1 2 398.457 4.441 20 0 GIADLO Cc1ccc(C2=CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cc1 ZINC000046503633 822479020 /nfs/dbraw/zinc/47/90/20/822479020.db2.gz HBGWSVCOIBTQPN-UHFFFAOYSA-N 1 2 376.416 4.243 20 0 GIADLO Cc1ccc(C2=CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cc1 ZINC000046503633 822479024 /nfs/dbraw/zinc/47/90/24/822479024.db2.gz HBGWSVCOIBTQPN-UHFFFAOYSA-N 1 2 376.416 4.243 20 0 GIADLO Cc1ccc(CN(CCc2ccccc2)C(=O)[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000454465263 822479913 /nfs/dbraw/zinc/47/99/13/822479913.db2.gz MFBWFVWJBJDDQB-LJQANCHMSA-N 1 2 379.529 4.087 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000454469379 822480521 /nfs/dbraw/zinc/48/05/21/822480521.db2.gz WZMDDOPZFCEOFC-VQTJNVASSA-N 1 2 379.891 4.047 20 0 GIADLO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000183492748 822485037 /nfs/dbraw/zinc/48/50/37/822485037.db2.gz ANKMDLUZQYXUQW-OAHLLOKOSA-N 1 2 382.485 4.213 20 0 GIADLO COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ccccn1 ZINC000179482373 822489290 /nfs/dbraw/zinc/48/92/90/822489290.db2.gz MNNQKNZKLQIZKO-QMHKHESXSA-N 1 2 376.456 4.302 20 0 GIADLO COCCc1nc(C)c([C@H](C)[NH2+][C@H](c2ccccn2)c2ccccc2OC)s1 ZINC000179484236 822489554 /nfs/dbraw/zinc/48/95/54/822489554.db2.gz NRFJKCQAPAGZDQ-KKSFZXQISA-N 1 2 397.544 4.484 20 0 GIADLO Cc1cccc([C@H](C)NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000454518505 822489668 /nfs/dbraw/zinc/48/96/68/822489668.db2.gz WCBSGCJBWLDGTE-OTWHNJEPSA-N 1 2 381.520 4.487 20 0 GIADLO Cc1cccc([C@H](C)NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000454518505 822489670 /nfs/dbraw/zinc/48/96/70/822489670.db2.gz WCBSGCJBWLDGTE-OTWHNJEPSA-N 1 2 381.520 4.487 20 0 GIADLO CCCOc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1OCCC ZINC000046616634 822493373 /nfs/dbraw/zinc/49/33/73/822493373.db2.gz LRJRTXNUPHGNLB-UHFFFAOYSA-N 1 2 397.519 4.058 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c[nH+]1 ZINC000454542024 822494175 /nfs/dbraw/zinc/49/41/75/822494175.db2.gz ZJCFIJPIRWQPTQ-KRWDZBQOSA-N 1 2 380.492 4.035 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(OC(C)C)cc3)n2)c(OC)c1 ZINC000179531842 822498211 /nfs/dbraw/zinc/49/82/11/822498211.db2.gz CFTWLMDHJUDNLY-OAHLLOKOSA-N 1 2 397.475 4.392 20 0 GIADLO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nc(COc3ccc(F)cc3)no2)cc1 ZINC000179533697 822498636 /nfs/dbraw/zinc/49/86/36/822498636.db2.gz OKFKMEJEJAJWNC-OAHLLOKOSA-N 1 2 385.439 4.426 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)s1 ZINC000183609738 822500725 /nfs/dbraw/zinc/50/07/25/822500725.db2.gz UCMZOVNQHGJOQF-UHFFFAOYSA-N 1 2 389.487 4.131 20 0 GIADLO C[C@H](NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000454586697 822501549 /nfs/dbraw/zinc/50/15/49/822501549.db2.gz TXTFNNPOBKEBEV-JXFKEZNVSA-N 1 2 376.460 4.463 20 0 GIADLO CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCc2ccccc21 ZINC000179550331 822501813 /nfs/dbraw/zinc/50/18/13/822501813.db2.gz UTOXHPWAEWQFOE-HBMCJLEFSA-N 1 2 385.458 4.039 20 0 GIADLO CN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCc2ccccc21 ZINC000179550331 822501816 /nfs/dbraw/zinc/50/18/16/822501816.db2.gz UTOXHPWAEWQFOE-HBMCJLEFSA-N 1 2 385.458 4.039 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)c[nH+]1 ZINC000454596046 822503365 /nfs/dbraw/zinc/50/33/65/822503365.db2.gz QZWOOXXGVUSJKL-UHFFFAOYSA-N 1 2 380.492 4.001 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1[nH]c2ccccc2c1Br ZINC000179578501 822506366 /nfs/dbraw/zinc/50/63/66/822506366.db2.gz YFYFAXUXQXOENK-UHFFFAOYSA-N 1 2 395.260 4.046 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000183695068 822513010 /nfs/dbraw/zinc/51/30/10/822513010.db2.gz DLENKYQFASIFBD-ZDUSSCGKSA-N 1 2 381.448 4.260 20 0 GIADLO CCOc1ccc(-c2noc(C[NH2+][C@H](C)c3cc(OC)c(OC)cc3C)n2)cc1 ZINC000179619563 822514163 /nfs/dbraw/zinc/51/41/63/822514163.db2.gz MEPILSLHUWYCIY-OAHLLOKOSA-N 1 2 397.475 4.312 20 0 GIADLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000179626246 822514988 /nfs/dbraw/zinc/51/49/88/822514988.db2.gz JCQNESFDQPQBBB-UHFFFAOYSA-N 1 2 384.480 4.008 20 0 GIADLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000179626246 822514989 /nfs/dbraw/zinc/51/49/89/822514989.db2.gz JCQNESFDQPQBBB-UHFFFAOYSA-N 1 2 384.480 4.008 20 0 GIADLO CCOCCOc1ccc(Cl)cc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454704539 822520466 /nfs/dbraw/zinc/52/04/66/822520466.db2.gz HATQLWNLQJQCDI-UHFFFAOYSA-N 1 2 377.872 4.089 20 0 GIADLO Clc1ccc(OCc2cccnc2)c(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000046836297 822522576 /nfs/dbraw/zinc/52/25/76/822522576.db2.gz XKJMSUXLDYNRAN-UHFFFAOYSA-N 1 2 394.906 4.031 20 0 GIADLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000179668313 822523470 /nfs/dbraw/zinc/52/34/70/822523470.db2.gz CMBWWMVCWQOVCX-MRXNPFEDSA-N 1 2 387.281 4.175 20 0 GIADLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000179668313 822523471 /nfs/dbraw/zinc/52/34/71/822523471.db2.gz CMBWWMVCWQOVCX-MRXNPFEDSA-N 1 2 387.281 4.175 20 0 GIADLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000179671331 822524135 /nfs/dbraw/zinc/52/41/35/822524135.db2.gz PJCJJNFJDBXSGG-GOSISDBHSA-N 1 2 375.472 4.292 20 0 GIADLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000179671331 822524139 /nfs/dbraw/zinc/52/41/39/822524139.db2.gz PJCJJNFJDBXSGG-GOSISDBHSA-N 1 2 375.472 4.292 20 0 GIADLO C[C@H](c1cccc(NC(=O)N2CCCc3ccccc3CC2)c1)[NH+]1CCOCC1 ZINC000454737494 822525590 /nfs/dbraw/zinc/52/55/90/822525590.db2.gz KHVDPJCCKPIOIQ-LJQANCHMSA-N 1 2 393.531 4.103 20 0 GIADLO CCc1cnccc1[C@H](C)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454743056 822526660 /nfs/dbraw/zinc/52/66/60/822526660.db2.gz CZEDFCPOQAUDSE-AWEZNQCLSA-N 1 2 383.883 4.044 20 0 GIADLO CCCn1ncc(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1C1CC1 ZINC000454752663 822528378 /nfs/dbraw/zinc/52/83/78/822528378.db2.gz GIVVREVUEYBPKX-UHFFFAOYSA-N 1 2 394.479 4.090 20 0 GIADLO O=C(Cc1nc(C[NH2+]C2(c3cccc(F)c3)CC2)cs1)Nc1ccccc1 ZINC000179692183 822528421 /nfs/dbraw/zinc/52/84/21/822528421.db2.gz VZOPRPJKMUXVFX-UHFFFAOYSA-N 1 2 381.476 4.242 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc(OCc2ccccn2)c1 ZINC000179695780 822529391 /nfs/dbraw/zinc/52/93/91/822529391.db2.gz HGFKQTZSRQTKCI-OAHLLOKOSA-N 1 2 376.416 4.154 20 0 GIADLO CCc1ccc(CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000046920637 822530951 /nfs/dbraw/zinc/53/09/51/822530951.db2.gz BFCCURULURIEEF-UHFFFAOYSA-N 1 2 388.515 4.368 20 0 GIADLO C[C@H](CCCc1ccccc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000179704476 822531520 /nfs/dbraw/zinc/53/15/20/822531520.db2.gz RNYWNLPZRYDQDT-HXUWFJFHSA-N 1 2 375.516 4.249 20 0 GIADLO CC[C@@H]([NH2+]Cc1nc2oc(C)c(C)c2c(N)n1)c1ccccc1OC(F)F ZINC000179713763 822533283 /nfs/dbraw/zinc/53/32/83/822533283.db2.gz VGPBUJDLKRVTJC-CYBMUJFWSA-N 1 2 376.407 4.264 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000046943991 822533297 /nfs/dbraw/zinc/53/32/97/822533297.db2.gz YSCDXSUQEITFSJ-MRXNPFEDSA-N 1 2 395.532 4.083 20 0 GIADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943228 822533362 /nfs/dbraw/zinc/53/33/62/822533362.db2.gz ROPLJIMYAAWOGH-MRXNPFEDSA-N 1 2 378.476 4.199 20 0 GIADLO C[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000179714342 822533427 /nfs/dbraw/zinc/53/34/27/822533427.db2.gz PHAPDCHSDYNBQG-OAHLLOKOSA-N 1 2 398.304 4.114 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000183848628 822535472 /nfs/dbraw/zinc/53/54/72/822535472.db2.gz SQHNVRVHZSKEBR-HNNXBMFYSA-N 1 2 381.505 4.049 20 0 GIADLO CCCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@H](C)c1ccccc1Br ZINC000047028004 822538483 /nfs/dbraw/zinc/53/84/83/822538483.db2.gz OWCYLYXSDPYMPS-LSDHHAIUSA-N 1 2 393.329 4.217 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cnc(-c2ccccc2)s1 ZINC000047076535 822542802 /nfs/dbraw/zinc/54/28/02/822542802.db2.gz UYCVXDFMMCVSHY-UHFFFAOYSA-N 1 2 388.496 4.027 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)o1 ZINC000179762691 822546256 /nfs/dbraw/zinc/54/62/56/822546256.db2.gz GLZYKNZIWNCOCW-INIZCTEOSA-N 1 2 390.487 4.168 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(OCCF)c2)CC1 ZINC000183979519 822557413 /nfs/dbraw/zinc/55/74/13/822557413.db2.gz HDVXWOZGPDOLLH-OAHLLOKOSA-N 1 2 377.485 4.007 20 0 GIADLO O=C(C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1)Nc1ccc(Cl)cn1 ZINC000047274057 822560925 /nfs/dbraw/zinc/56/09/25/822560925.db2.gz BPZXWPBMERCTAD-UHFFFAOYSA-N 1 2 384.842 4.083 20 0 GIADLO O=C(C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1)Nc1ccc(Cl)cn1 ZINC000047274057 822560929 /nfs/dbraw/zinc/56/09/29/822560929.db2.gz BPZXWPBMERCTAD-UHFFFAOYSA-N 1 2 384.842 4.083 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C(F)(F)F)nc2)CC1 ZINC000184036193 822568460 /nfs/dbraw/zinc/56/84/60/822568460.db2.gz BQGSGJRASJDQNP-LBPRGKRZSA-N 1 2 384.427 4.073 20 0 GIADLO CC(C)Oc1cccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000047371769 822571660 /nfs/dbraw/zinc/57/16/60/822571660.db2.gz SGVCOXXGYDRVGI-UHFFFAOYSA-N 1 2 388.537 4.238 20 0 GIADLO Cn1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000179892802 822572805 /nfs/dbraw/zinc/57/28/05/822572805.db2.gz UTUQJVSKORCAQM-UHFFFAOYSA-N 1 2 395.850 4.152 20 0 GIADLO Cn1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000179892802 822572808 /nfs/dbraw/zinc/57/28/08/822572808.db2.gz UTUQJVSKORCAQM-UHFFFAOYSA-N 1 2 395.850 4.152 20 0 GIADLO COCCOc1c(Cl)cc(NC(=O)NCc2c[nH+]c(C)cc2C)cc1Cl ZINC000455074216 822585215 /nfs/dbraw/zinc/58/52/15/822585215.db2.gz MOQWJONHUXIZFO-UHFFFAOYSA-N 1 2 398.290 4.352 20 0 GIADLO CC(C)COC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000184144820 822585325 /nfs/dbraw/zinc/58/53/25/822585325.db2.gz ZQMJKNYKQSEXFE-CRAIPNDOSA-N 1 2 378.900 4.114 20 0 GIADLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000184151350 822586438 /nfs/dbraw/zinc/58/64/38/822586438.db2.gz SAZQFPJQIWXARB-RXVVDRJESA-N 1 2 399.535 4.210 20 0 GIADLO CC(C)COC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)c1ccco1 ZINC000184155498 822587035 /nfs/dbraw/zinc/58/70/35/822587035.db2.gz IVCYFWXFBGPQPQ-YJBOKZPZSA-N 1 2 378.900 4.114 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1nccnc1-c1nc2ccccc2s1 ZINC000047533761 822588137 /nfs/dbraw/zinc/58/81/37/822588137.db2.gz UDFKWAZVRCDILR-UHFFFAOYSA-N 1 2 398.451 4.191 20 0 GIADLO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000455100904 822588882 /nfs/dbraw/zinc/58/88/82/822588882.db2.gz BASXRBXYBRZNGO-FOIQADDNSA-N 1 2 395.894 4.213 20 0 GIADLO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000179977012 822589022 /nfs/dbraw/zinc/58/90/22/822589022.db2.gz SQUPZGWOJHIBRO-LBPRGKRZSA-N 1 2 389.883 4.103 20 0 GIADLO Cc1ccccc1CN(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569428 822591774 /nfs/dbraw/zinc/59/17/74/822591774.db2.gz SETSUEPPBCLVHT-KDURUIRLSA-N 1 2 381.520 4.268 20 0 GIADLO Cc1ccccc1CN(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569428 822591777 /nfs/dbraw/zinc/59/17/77/822591777.db2.gz SETSUEPPBCLVHT-KDURUIRLSA-N 1 2 381.520 4.268 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000184184321 822592284 /nfs/dbraw/zinc/59/22/84/822592284.db2.gz KGLCUDINECBLLW-CYBMUJFWSA-N 1 2 389.908 4.332 20 0 GIADLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)/C=C/c3cccc(Cl)c3)c2C1 ZINC000184216523 822597558 /nfs/dbraw/zinc/59/75/58/822597558.db2.gz MNYWCFZUDWPZRC-MDZDMXLPSA-N 1 2 376.909 4.477 20 0 GIADLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)/C=C/c3cccc(Cl)c3)c2C1 ZINC000184216523 822597561 /nfs/dbraw/zinc/59/75/61/822597561.db2.gz MNYWCFZUDWPZRC-MDZDMXLPSA-N 1 2 376.909 4.477 20 0 GIADLO O=S(=O)(/C=C/c1cccc(Cl)c1)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000184221076 822598296 /nfs/dbraw/zinc/59/82/96/822598296.db2.gz UKEKYHIZQMMVHM-RMKNXTFCSA-N 1 2 376.787 4.104 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)NCCC(c2ccccc2)c2ccccc2)n1 ZINC000184227920 822599666 /nfs/dbraw/zinc/59/96/66/822599666.db2.gz KOCBTNVUDUCZKS-SFHVURJKSA-N 1 2 393.556 4.441 20 0 GIADLO NC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)c2ccccc2Br)c1 ZINC000180039070 822602597 /nfs/dbraw/zinc/60/25/97/822602597.db2.gz JLRDMQSTSZXWCX-HXUWFJFHSA-N 1 2 395.300 4.427 20 0 GIADLO C[C@@]1(Cc2ccccc2)CCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000184266775 822605924 /nfs/dbraw/zinc/60/59/24/822605924.db2.gz GDXRQBWCXYLKTF-DEOSSOPVSA-N 1 2 388.515 4.238 20 0 GIADLO COc1ccc2oc([C@H](C)[NH2+][C@@H](C)c3nc4ccccc4c(=O)[nH]3)c(C)c2c1 ZINC000184330735 822616653 /nfs/dbraw/zinc/61/66/53/822616653.db2.gz KOWOZZKBGSUJKK-KBPBESRZSA-N 1 2 377.444 4.398 20 0 GIADLO C[C@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccn1 ZINC000047888760 822616711 /nfs/dbraw/zinc/61/67/11/822616711.db2.gz FBGWWNMBFJXCCO-KBXCAEBGSA-N 1 2 390.890 4.071 20 0 GIADLO O=C(C1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1)N1CCCCCC1 ZINC000047957448 822622431 /nfs/dbraw/zinc/62/24/31/822622431.db2.gz IZAFHMVHYUHJRE-UHFFFAOYSA-N 1 2 390.478 4.046 20 0 GIADLO CCOc1ccc2nc(NC(=O)C[NH2+][C@@H](CC)c3nc(C)cs3)sc2c1 ZINC000184369394 822623511 /nfs/dbraw/zinc/62/35/11/822623511.db2.gz IWUPZAZHRRDPRY-ZDUSSCGKSA-N 1 2 390.534 4.139 20 0 GIADLO CCCC(=O)Nc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180141272 822624916 /nfs/dbraw/zinc/62/49/16/822624916.db2.gz BTEYJRFARWKUEF-QFIPXVFZSA-N 1 2 380.467 4.177 20 0 GIADLO CCCC(=O)Nc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180141289 822624989 /nfs/dbraw/zinc/62/49/89/822624989.db2.gz BTEYJRFARWKUEF-JOCHJYFZSA-N 1 2 380.467 4.177 20 0 GIADLO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)C1 ZINC000048046410 822626421 /nfs/dbraw/zinc/62/64/21/822626421.db2.gz ZTSXYAYTGGQQDV-KRWDZBQOSA-N 1 2 398.576 4.357 20 0 GIADLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000180177087 822632992 /nfs/dbraw/zinc/63/29/92/822632992.db2.gz AFQNTCWCEAIABF-UHFFFAOYSA-N 1 2 396.472 4.211 20 0 GIADLO Cc1cc(OC(C)C)ccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000048121700 822635399 /nfs/dbraw/zinc/63/53/99/822635399.db2.gz UWOGBDKGPQFRQL-UHFFFAOYSA-N 1 2 392.503 4.391 20 0 GIADLO Brc1ccc(-c2nnc(C[NH2+][C@@H](c3ccccc3)C3CC3)[nH]2)cc1 ZINC000180188417 822635420 /nfs/dbraw/zinc/63/54/20/822635420.db2.gz LLQYNBHFUYZCPW-SFHVURJKSA-N 1 2 383.293 4.475 20 0 GIADLO Brc1ccc(-c2n[nH]c(C[NH2+][C@@H](c3ccccc3)C3CC3)n2)cc1 ZINC000180188417 822635423 /nfs/dbraw/zinc/63/54/23/822635423.db2.gz LLQYNBHFUYZCPW-SFHVURJKSA-N 1 2 383.293 4.475 20 0 GIADLO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1nc(C(C)(C)C)cs1 ZINC000184456463 822638515 /nfs/dbraw/zinc/63/85/15/822638515.db2.gz FVEHRBJDMOQSAP-KBPBESRZSA-N 1 2 377.529 4.450 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1nc(C(C)(C)C)cs1 ZINC000184456497 822638543 /nfs/dbraw/zinc/63/85/43/822638543.db2.gz FVEHRBJDMOQSAP-KGLIPLIRSA-N 1 2 377.529 4.450 20 0 GIADLO Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c1C ZINC000184469182 822641497 /nfs/dbraw/zinc/64/14/97/822641497.db2.gz GQOPRCSBBAHMRT-CQSZACIVSA-N 1 2 388.537 4.056 20 0 GIADLO COc1cc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)ccc1OC(C)C ZINC000048192028 822643878 /nfs/dbraw/zinc/64/38/78/822643878.db2.gz XTNAVNKNCDSIIM-MRXNPFEDSA-N 1 2 379.460 4.159 20 0 GIADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000455393486 822645764 /nfs/dbraw/zinc/64/57/64/822645764.db2.gz ZFYURQWOQQBLTM-WMLDXEAASA-N 1 2 377.410 4.218 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184501443 822646248 /nfs/dbraw/zinc/64/62/48/822646248.db2.gz GGKDPWLNDLSLAZ-KGLIPLIRSA-N 1 2 375.538 4.435 20 0 GIADLO CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180241476 822646656 /nfs/dbraw/zinc/64/66/56/822646656.db2.gz KIFYINJCRFULSO-QHCPKHFHSA-N 1 2 394.494 4.423 20 0 GIADLO CC[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000184509746 822647774 /nfs/dbraw/zinc/64/77/74/822647774.db2.gz KRGPPAYJRVVINJ-UHFFFAOYSA-N 1 2 396.922 4.250 20 0 GIADLO CC[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000184509746 822647776 /nfs/dbraw/zinc/64/77/76/822647776.db2.gz KRGPPAYJRVVINJ-UHFFFAOYSA-N 1 2 396.922 4.250 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000180255543 822649193 /nfs/dbraw/zinc/64/91/93/822649193.db2.gz YEBWVBCIPCIMLI-UHFFFAOYSA-N 1 2 399.800 4.151 20 0 GIADLO COC[C@H]([NH2+]CC(=O)Nc1cc2oc3ccccc3c2cc1OC)c1ccco1 ZINC000184518478 822649745 /nfs/dbraw/zinc/64/97/45/822649745.db2.gz XWRBGEIQFCVKDF-KRWDZBQOSA-N 1 2 394.427 4.103 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184530985 822652112 /nfs/dbraw/zinc/65/21/12/822652112.db2.gz DDXINQWMKOLKGD-ZIAGYGMSSA-N 1 2 395.450 4.289 20 0 GIADLO Cc1nc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)sc1Cc1ccc(F)cc1 ZINC000455447867 822656055 /nfs/dbraw/zinc/65/60/55/822656055.db2.gz NAWRCNKYEFMHAS-OAHLLOKOSA-N 1 2 399.495 4.316 20 0 GIADLO COc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455462360 822659124 /nfs/dbraw/zinc/65/91/24/822659124.db2.gz CAOFNIGKMVRAGD-LJQANCHMSA-N 1 2 383.492 4.229 20 0 GIADLO Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455479089 822662424 /nfs/dbraw/zinc/66/24/24/822662424.db2.gz NOPZWWTWASIMGY-UHFFFAOYSA-N 1 2 377.492 4.255 20 0 GIADLO COC[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccco1 ZINC000184602815 822664490 /nfs/dbraw/zinc/66/44/90/822664490.db2.gz DTYJAMJBVPJRDD-LBPRGKRZSA-N 1 2 376.197 4.121 20 0 GIADLO Cc1c(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cccc1-c1ncco1 ZINC000455490375 822664781 /nfs/dbraw/zinc/66/47/81/822664781.db2.gz NJNIYDPVIFHUOC-UHFFFAOYSA-N 1 2 391.475 4.357 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCc3c(Br)ccc(F)c3C2)c(C)[nH+]1 ZINC000455495572 822665713 /nfs/dbraw/zinc/66/57/13/822665713.db2.gz OKTMKNSQGCDSSN-UHFFFAOYSA-N 1 2 392.272 4.499 20 0 GIADLO CCCCOc1ccc([C@H](C)[NH2+]Cc2csc(NC(C)=O)n2)cc1OC ZINC000180337156 822665775 /nfs/dbraw/zinc/66/57/75/822665775.db2.gz JBKLMHAUEMCAQJ-ZDUSSCGKSA-N 1 2 377.510 4.140 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000455526300 822670652 /nfs/dbraw/zinc/67/06/52/822670652.db2.gz NBXBLKCVNKWGME-PWRODBHTSA-N 1 2 380.536 4.283 20 0 GIADLO C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000184656589 822671629 /nfs/dbraw/zinc/67/16/29/822671629.db2.gz HLRCESORDJUIBI-FXAWDEMLSA-N 1 2 387.483 4.347 20 0 GIADLO COc1ccc(CN(CC2CC2)C(=O)Nc2c(C)cc(C)[nH+]c2C)c(OC)c1 ZINC000455536393 822671876 /nfs/dbraw/zinc/67/18/76/822671876.db2.gz VVPUCIBMUFKNEB-UHFFFAOYSA-N 1 2 383.492 4.468 20 0 GIADLO Cc1[nH+]cc(CN[C@@H](C)c2nc(-c3cccc(F)c3)no2)n1-c1ccccc1 ZINC000184661528 822672215 /nfs/dbraw/zinc/67/22/15/822672215.db2.gz JZBCTZMGRZQXDF-AWEZNQCLSA-N 1 2 377.423 4.221 20 0 GIADLO Cc1[nH+]cc(CN[C@H](C)c2nc(-c3cccc(F)c3)no2)n1-c1ccccc1 ZINC000184661548 822672288 /nfs/dbraw/zinc/67/22/88/822672288.db2.gz JZBCTZMGRZQXDF-CQSZACIVSA-N 1 2 377.423 4.221 20 0 GIADLO Cc1nc([C@@H](NC(=O)Nc2c(C)cc(C)[nH+]c2C)c2ccc(Cl)cc2)no1 ZINC000455542875 822672584 /nfs/dbraw/zinc/67/25/84/822672584.db2.gz ZOTQWXGJAZRFNF-KRWDZBQOSA-N 1 2 385.855 4.263 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000180387901 822674152 /nfs/dbraw/zinc/67/41/52/822674152.db2.gz LXAYPLNJPSROQY-GFCCVEGCSA-N 1 2 385.817 4.187 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cc(F)cc(F)c3F)CC2)c1 ZINC000455561039 822674846 /nfs/dbraw/zinc/67/48/46/822674846.db2.gz DZURPNKURZHJQE-ZDUSSCGKSA-N 1 2 393.409 4.023 20 0 GIADLO COC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1)c1ccc(C)o1 ZINC000184683825 822676265 /nfs/dbraw/zinc/67/62/65/822676265.db2.gz HQEORSXJVKCMAX-FVJLSDCUSA-N 1 2 380.488 4.284 20 0 GIADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cs1 ZINC000184689026 822677049 /nfs/dbraw/zinc/67/70/49/822677049.db2.gz OYJARCPTNXNIAB-STQMWFEESA-N 1 2 388.562 4.013 20 0 GIADLO COC[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccc(C)o1 ZINC000184748872 822685594 /nfs/dbraw/zinc/68/55/94/822685594.db2.gz CRHZHZOPNMRUOK-ZDUSSCGKSA-N 1 2 390.224 4.429 20 0 GIADLO Cc1nc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c(-c2ccccc2)o1 ZINC000184747642 822685634 /nfs/dbraw/zinc/68/56/34/822685634.db2.gz ADFSJJJSRPQUTC-UHFFFAOYSA-N 1 2 390.487 4.355 20 0 GIADLO Clc1ccc(-c2nc(CN3CC[NH+](Cc4cccnc4)CC3)cs2)cc1 ZINC000180469699 822687732 /nfs/dbraw/zinc/68/77/32/822687732.db2.gz VATAURIRAGSGHE-UHFFFAOYSA-N 1 2 384.936 4.176 20 0 GIADLO O=C(NC1CCC(c2ccccc2)CC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000048974961 822689928 /nfs/dbraw/zinc/68/99/28/822689928.db2.gz PEIGCJPEMYTELC-UHFFFAOYSA-N 1 2 378.520 4.076 20 0 GIADLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048966381 822689948 /nfs/dbraw/zinc/68/99/48/822689948.db2.gz FPKPWFYTOJYTHO-HXUWFJFHSA-N 1 2 392.503 4.346 20 0 GIADLO Cc1cc([C@H]([NH2+][C@@H](C)CN2CCN(C)CC2)c2ccccc2Cl)ccc1F ZINC000180496906 822691209 /nfs/dbraw/zinc/69/12/09/822691209.db2.gz BRFPDNHVMBBNBO-JTSKRJEESA-N 1 2 389.946 4.102 20 0 GIADLO CC(C)(C)c1nc2ccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cc2s1 ZINC000180501943 822691953 /nfs/dbraw/zinc/69/19/53/822691953.db2.gz IEHLLZRRLKELDN-OAHLLOKOSA-N 1 2 383.521 4.487 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000184819583 822695461 /nfs/dbraw/zinc/69/54/61/822695461.db2.gz ARPNVANSERMZBJ-BDJLRTHQSA-N 1 2 385.291 4.453 20 0 GIADLO Cc1cc(Br)c(F)cc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000184835902 822697747 /nfs/dbraw/zinc/69/77/47/822697747.db2.gz CEJKFYLORKEXGM-UHFFFAOYSA-N 1 2 395.276 4.305 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1ncc(-c2ccccc2)o1 ZINC000184844367 822699198 /nfs/dbraw/zinc/69/91/98/822699198.db2.gz KHNAOIUTYMNWIO-CYBMUJFWSA-N 1 2 389.908 4.366 20 0 GIADLO Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000184848499 822700026 /nfs/dbraw/zinc/70/00/26/822700026.db2.gz PMSTYPDOVJOJAK-BDJLRTHQSA-N 1 2 395.276 4.208 20 0 GIADLO CC[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1ccc(OC)cc1 ZINC000184869856 822704156 /nfs/dbraw/zinc/70/41/56/822704156.db2.gz PNCOKXAFISMBCP-DNVCBOLYSA-N 1 2 379.460 4.418 20 0 GIADLO CCCOc1ccc(CNC(=O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184872980 822704992 /nfs/dbraw/zinc/70/49/92/822704992.db2.gz HGJAWUHYQZHUMA-QGZVFWFLSA-N 1 2 393.487 4.097 20 0 GIADLO FC(F)CN1CCC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000180576476 822705354 /nfs/dbraw/zinc/70/53/54/822705354.db2.gz XTCPQDQBROARSM-FQEVSTJZSA-N 1 2 398.457 4.099 20 0 GIADLO FC(F)CN1CCC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000180576476 822705356 /nfs/dbraw/zinc/70/53/56/822705356.db2.gz XTCPQDQBROARSM-FQEVSTJZSA-N 1 2 398.457 4.099 20 0 GIADLO C[C@H]([NH2+]Cc1nc(C2CC2)no1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180603239 822709699 /nfs/dbraw/zinc/70/96/99/822709699.db2.gz GZWHZDBRLDUCTQ-ZDUSSCGKSA-N 1 2 380.423 4.189 20 0 GIADLO Brc1cc2c(c(C[NH2+]Cc3nc4ccccc4n3C3CC3)c1)OCC2 ZINC000184943233 822716556 /nfs/dbraw/zinc/71/65/56/822716556.db2.gz SSVUUERAEWCTDQ-UHFFFAOYSA-N 1 2 398.304 4.358 20 0 GIADLO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)on1 ZINC000184949948 822717516 /nfs/dbraw/zinc/71/75/16/822717516.db2.gz ARKDTNPXTCQKEQ-NSHDSACASA-N 1 2 390.896 4.358 20 0 GIADLO CCCn1ncc(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1C1CC1 ZINC000455744123 822718270 /nfs/dbraw/zinc/71/82/70/822718270.db2.gz BIATWKSELOIBQJ-HNNXBMFYSA-N 1 2 378.480 4.239 20 0 GIADLO C[C@H](c1ccccc1Br)[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184989730 822722531 /nfs/dbraw/zinc/72/25/31/822722531.db2.gz GMUIWMIHEIEVAK-GFCCVEGCSA-N 1 2 375.270 4.031 20 0 GIADLO C[C@H](c1ccccc1Br)[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184989730 822722532 /nfs/dbraw/zinc/72/25/32/822722532.db2.gz GMUIWMIHEIEVAK-GFCCVEGCSA-N 1 2 375.270 4.031 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)s1 ZINC000184990596 822722642 /nfs/dbraw/zinc/72/26/42/822722642.db2.gz YGILKZFBXXLALC-HNAYVOBHSA-N 1 2 385.558 4.378 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cnc(-c2ccccc2Cl)s1 ZINC000050315153 822725187 /nfs/dbraw/zinc/72/51/87/822725187.db2.gz GXKWLWIKTKWMDN-UHFFFAOYSA-N 1 2 398.919 4.257 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)NCCC(c2ccccc2)c2ccccc2)s1 ZINC000185016277 822725608 /nfs/dbraw/zinc/72/56/08/822725608.db2.gz HPRJXNPHRNCYBY-SFHVURJKSA-N 1 2 393.556 4.441 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)s1 ZINC000185016811 822725654 /nfs/dbraw/zinc/72/56/54/822725654.db2.gz TWZHBNPKOSIFCJ-SCLBCKFNSA-N 1 2 389.521 4.209 20 0 GIADLO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(Br)cc(F)c1O ZINC000185026028 822726702 /nfs/dbraw/zinc/72/67/02/822726702.db2.gz JSBPBWWGSFTTKF-GFCCVEGCSA-N 1 2 394.288 4.008 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1nccs1 ZINC000185039925 822728051 /nfs/dbraw/zinc/72/80/51/822728051.db2.gz FOEXWZUTEWQTGH-UXHICEINSA-N 1 2 379.529 4.284 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)COc2ccccc2-c2ccccc2)c1C ZINC000050449174 822729732 /nfs/dbraw/zinc/72/97/32/822729732.db2.gz ZWNIUEJZEKTSEC-UHFFFAOYSA-N 1 2 376.456 4.069 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)c1nccs1 ZINC000185057855 822730493 /nfs/dbraw/zinc/73/04/93/822730493.db2.gz YCHGTJPMFWWNSP-NSHDSACASA-N 1 2 388.718 4.238 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)c1nccs1 ZINC000185079398 822734031 /nfs/dbraw/zinc/73/40/31/822734031.db2.gz UVDSLXDEKBASOX-INIZCTEOSA-N 1 2 397.548 4.306 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)CCCOCc3ccccc3)n2)CC1 ZINC000050604040 822734467 /nfs/dbraw/zinc/73/44/67/822734467.db2.gz FMBRYVTXQAXINO-UHFFFAOYSA-N 1 2 387.549 4.311 20 0 GIADLO COc1cc(CNCc2c[nH+]ccc2N(C)C)ccc1OCc1ccccc1 ZINC000185127420 822740427 /nfs/dbraw/zinc/74/04/27/822740427.db2.gz HAMCLYFYNONYBA-UHFFFAOYSA-N 1 2 377.488 4.025 20 0 GIADLO CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000050862997 822740563 /nfs/dbraw/zinc/74/05/63/822740563.db2.gz UVMSRUSJKWGOPT-PKTZIBPZSA-N 1 2 389.499 4.171 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccn2Cc2cccs2)CC1 ZINC000185131927 822740943 /nfs/dbraw/zinc/74/09/43/822740943.db2.gz JGDCKTHYOAYTOT-INIZCTEOSA-N 1 2 385.558 4.178 20 0 GIADLO C[N@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)Cn1ncn(-c2ccccc2)c1=S ZINC000050928108 822742680 /nfs/dbraw/zinc/74/26/80/822742680.db2.gz PSZIETVCQMQLSN-TZIWHRDSSA-N 1 2 394.544 4.460 20 0 GIADLO C[N@@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)Cn1ncn(-c2ccccc2)c1=S ZINC000050928108 822742681 /nfs/dbraw/zinc/74/26/81/822742681.db2.gz PSZIETVCQMQLSN-TZIWHRDSSA-N 1 2 394.544 4.460 20 0 GIADLO C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cc(Br)cc(F)c1O ZINC000185152004 822743257 /nfs/dbraw/zinc/74/32/57/822743257.db2.gz MUPMZFKWLKRPOW-LLVKDONJSA-N 1 2 392.272 4.454 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@H+](Cc3ccccn3)C(C)C)cs2)cc1 ZINC000050960810 822743485 /nfs/dbraw/zinc/74/34/85/822743485.db2.gz QLJNKJQWYJEADB-UHFFFAOYSA-N 1 2 381.501 4.402 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@@H+](Cc3ccccn3)C(C)C)cs2)cc1 ZINC000050960810 822743487 /nfs/dbraw/zinc/74/34/87/822743487.db2.gz QLJNKJQWYJEADB-UHFFFAOYSA-N 1 2 381.501 4.402 20 0 GIADLO Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CO2 ZINC000185255656 822755333 /nfs/dbraw/zinc/75/53/33/822755333.db2.gz PYPLMYSKESYQOZ-LVCYWYKZSA-N 1 2 394.515 4.027 20 0 GIADLO Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CO2 ZINC000185255656 822755336 /nfs/dbraw/zinc/75/53/36/822755336.db2.gz PYPLMYSKESYQOZ-LVCYWYKZSA-N 1 2 394.515 4.027 20 0 GIADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000455964341 822758152 /nfs/dbraw/zinc/75/81/52/822758152.db2.gz ZPOOCEUIUULCEV-RXVVDRJESA-N 1 2 391.902 4.425 20 0 GIADLO Cc1c(-c2cc(C[NH2+][C@@H](C)c3nc(-c4ccccc4)cs3)on2)cnn1C ZINC000185442527 822784331 /nfs/dbraw/zinc/78/43/31/822784331.db2.gz QHSFQKCTXPGZTE-ZDUSSCGKSA-N 1 2 379.489 4.358 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000052070539 822789603 /nfs/dbraw/zinc/78/96/03/822789603.db2.gz OCEDVEQDKDERFQ-UHFFFAOYSA-N 1 2 380.275 4.022 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000052070539 822789606 /nfs/dbraw/zinc/78/96/06/822789606.db2.gz OCEDVEQDKDERFQ-UHFFFAOYSA-N 1 2 380.275 4.022 20 0 GIADLO O=C(Nc1ccccc1-c1ccccc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000174440759 822790116 /nfs/dbraw/zinc/79/01/16/822790116.db2.gz XFJKTLWTOQNTGX-FQEVSTJZSA-N 1 2 379.504 4.072 20 0 GIADLO Fc1cccc(C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C2CC2)c1 ZINC000052161517 822791760 /nfs/dbraw/zinc/79/17/60/822791760.db2.gz VQYMYPDNAYJTAY-UHFFFAOYSA-N 1 2 392.228 4.396 20 0 GIADLO Fc1cccc(C[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C2CC2)c1 ZINC000052161517 822791762 /nfs/dbraw/zinc/79/17/62/822791762.db2.gz VQYMYPDNAYJTAY-UHFFFAOYSA-N 1 2 392.228 4.396 20 0 GIADLO CC1CCN(C(=O)C2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)CC1 ZINC000052158217 822791767 /nfs/dbraw/zinc/79/17/67/822791767.db2.gz YDZZSWHGHDLSBF-UHFFFAOYSA-N 1 2 398.576 4.357 20 0 GIADLO C[C@H]1C[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](c2ccccc2)CO1 ZINC000174461166 822793239 /nfs/dbraw/zinc/79/32/39/822793239.db2.gz FOYLJMYMOJQKCB-MBSDFSHPSA-N 1 2 390.483 4.172 20 0 GIADLO C[C@H]1C[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](c2ccccc2)CO1 ZINC000174461166 822793242 /nfs/dbraw/zinc/79/32/42/822793242.db2.gz FOYLJMYMOJQKCB-MBSDFSHPSA-N 1 2 390.483 4.172 20 0 GIADLO O=C(CCn1cc[nH+]c1)NC1(c2ccccc2Br)CCCCC1 ZINC000456288465 822794608 /nfs/dbraw/zinc/79/46/08/822794608.db2.gz LSWXHHAIIBXZPG-UHFFFAOYSA-N 1 2 376.298 4.012 20 0 GIADLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000052455258 822800269 /nfs/dbraw/zinc/80/02/69/822800269.db2.gz XQAXKHKOJRPPBJ-NRFANRHFSA-N 1 2 397.494 4.083 20 0 GIADLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000052455258 822800271 /nfs/dbraw/zinc/80/02/71/822800271.db2.gz XQAXKHKOJRPPBJ-NRFANRHFSA-N 1 2 397.494 4.083 20 0 GIADLO COc1ccc(Br)c(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1 ZINC000185637069 822805100 /nfs/dbraw/zinc/80/51/00/822805100.db2.gz GVSSGJSLTAOSGG-UHFFFAOYSA-N 1 2 388.309 4.369 20 0 GIADLO COc1ccc(OC)c([C@H](C)NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000174566076 822805758 /nfs/dbraw/zinc/80/57/58/822805758.db2.gz OGQLJXMOUZBNJS-CVEARBPZSA-N 1 2 394.475 4.011 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)cc1OC ZINC000052661414 822806771 /nfs/dbraw/zinc/80/67/71/822806771.db2.gz JKGKDWBWFSWHKQ-QVKFZJNVSA-N 1 2 380.444 4.003 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)Cc3ccccc3N3CCOCC3)o2)cc1 ZINC000052686749 822807432 /nfs/dbraw/zinc/80/74/32/822807432.db2.gz JQTOXGGVPNCBKK-SFHVURJKSA-N 1 2 392.503 4.075 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3N3CCOCC3)o2)cc1 ZINC000052686749 822807435 /nfs/dbraw/zinc/80/74/35/822807435.db2.gz JQTOXGGVPNCBKK-SFHVURJKSA-N 1 2 392.503 4.075 20 0 GIADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000174593012 822809452 /nfs/dbraw/zinc/80/94/52/822809452.db2.gz SVZANIZNGIYKBW-UHFFFAOYSA-N 1 2 386.710 4.132 20 0 GIADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000174593012 822809455 /nfs/dbraw/zinc/80/94/55/822809455.db2.gz SVZANIZNGIYKBW-UHFFFAOYSA-N 1 2 386.710 4.132 20 0 GIADLO Cc1oc2ccccc2c1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000185682052 822809568 /nfs/dbraw/zinc/80/95/68/822809568.db2.gz VZSAMRXNRJERFR-UHFFFAOYSA-N 1 2 377.488 4.206 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC000052749848 822809566 /nfs/dbraw/zinc/80/95/66/822809566.db2.gz BTLLSIUAEJWHAT-INIZCTEOSA-N 1 2 390.462 4.308 20 0 GIADLO CCCCOc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000052754167 822809736 /nfs/dbraw/zinc/80/97/36/822809736.db2.gz NGBPBGNAQNJBHY-UHFFFAOYSA-N 1 2 396.535 4.050 20 0 GIADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)on1 ZINC000052822459 822811997 /nfs/dbraw/zinc/81/19/97/822811997.db2.gz QAARCYOWBODWTH-INIZCTEOSA-N 1 2 382.291 4.085 20 0 GIADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)on1 ZINC000052822459 822812001 /nfs/dbraw/zinc/81/20/01/822812001.db2.gz QAARCYOWBODWTH-INIZCTEOSA-N 1 2 382.291 4.085 20 0 GIADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)on1 ZINC000052822360 822812029 /nfs/dbraw/zinc/81/20/29/822812029.db2.gz SYQNNIMLVHIRBC-SIKLNZKXSA-N 1 2 385.483 4.307 20 0 GIADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)on1 ZINC000052822360 822812030 /nfs/dbraw/zinc/81/20/30/822812030.db2.gz SYQNNIMLVHIRBC-SIKLNZKXSA-N 1 2 385.483 4.307 20 0 GIADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(OCc3ccccc3)cc2)on1 ZINC000052821713 822812118 /nfs/dbraw/zinc/81/21/18/822812118.db2.gz KFFVXWKIDIGLKO-OAQYLSRUSA-N 1 2 391.471 4.338 20 0 GIADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(OCc3ccccc3)cc2)on1 ZINC000052821713 822812121 /nfs/dbraw/zinc/81/21/21/822812121.db2.gz KFFVXWKIDIGLKO-OAQYLSRUSA-N 1 2 391.471 4.338 20 0 GIADLO CC[N@H+](CC(=O)N[C@@H]1CCO[C@H](c2cccs2)C1)Cc1ccccc1Cl ZINC000456520503 822812661 /nfs/dbraw/zinc/81/26/61/822812661.db2.gz ZRHPWZWGHVELKH-AEFFLSMTSA-N 1 2 392.952 4.260 20 0 GIADLO CC[N@@H+](CC(=O)N[C@@H]1CCO[C@H](c2cccs2)C1)Cc1ccccc1Cl ZINC000456520503 822812666 /nfs/dbraw/zinc/81/26/66/822812666.db2.gz ZRHPWZWGHVELKH-AEFFLSMTSA-N 1 2 392.952 4.260 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2-c2ccccc2)cc1O ZINC000174630609 822814680 /nfs/dbraw/zinc/81/46/80/822814680.db2.gz QKWFGMJYOUZQMJ-UHFFFAOYSA-N 1 2 376.456 4.138 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2-c2ccccc2)cc1O ZINC000174630609 822814684 /nfs/dbraw/zinc/81/46/84/822814684.db2.gz QKWFGMJYOUZQMJ-UHFFFAOYSA-N 1 2 376.456 4.138 20 0 GIADLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(F)cc2F)c2ccccc2)c1 ZINC000174630766 822814742 /nfs/dbraw/zinc/81/47/42/822814742.db2.gz RGIIUNFPSZXDCL-OAQYLSRUSA-N 1 2 387.451 4.248 20 0 GIADLO CCc1onc(C)c1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000185725131 822814772 /nfs/dbraw/zinc/81/47/72/822814772.db2.gz YXQCUOUTBSVMGR-UHFFFAOYSA-N 1 2 396.318 4.247 20 0 GIADLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccccn2)c2ccc(Cl)cc2)c1 ZINC000174636020 822815686 /nfs/dbraw/zinc/81/56/86/822815686.db2.gz ULUCRYSKTVNUJK-HXUWFJFHSA-N 1 2 386.904 4.018 20 0 GIADLO COc1ccc(/C=C/C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1O ZINC000185802757 822822555 /nfs/dbraw/zinc/82/25/55/822822555.db2.gz MDXZYMOYMDPXTC-WUXMJOGZSA-N 1 2 389.455 4.253 20 0 GIADLO COCCn1c2ccccc2[nH+]c1NCc1ccc(OCc2ccncc2)cc1 ZINC000185845407 822826829 /nfs/dbraw/zinc/82/68/29/822826829.db2.gz DDQLKJJEHZRYGB-UHFFFAOYSA-N 1 2 388.471 4.269 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000456807821 822833219 /nfs/dbraw/zinc/83/32/19/822833219.db2.gz HUICEIGAHWORGU-UHFFFAOYSA-N 1 2 381.426 4.245 20 0 GIADLO CC[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1nc(C(F)(F)F)cs1 ZINC000185950390 822836418 /nfs/dbraw/zinc/83/64/18/822836418.db2.gz PBZGJJKLDHTTJO-VIFPVBQESA-N 1 2 397.875 4.234 20 0 GIADLO Cc1sc2ncnc(SCCC(=O)NCc3c[nH+]c(C)cc3C)c2c1C ZINC000456839642 822837006 /nfs/dbraw/zinc/83/70/06/822837006.db2.gz CZJOSYUGNMFYTF-UHFFFAOYSA-N 1 2 386.546 4.119 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185959262 822837639 /nfs/dbraw/zinc/83/76/39/822837639.db2.gz CCWFPKDEOUCTPF-CYBMUJFWSA-N 1 2 377.476 4.432 20 0 GIADLO CCOc1ccccc1NC(=O)C[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185960721 822837768 /nfs/dbraw/zinc/83/77/68/822837768.db2.gz HYSXTKFXKYRHRC-LLVKDONJSA-N 1 2 387.427 4.240 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185971398 822839540 /nfs/dbraw/zinc/83/95/40/822839540.db2.gz LBDWAJZMYJYVRN-CYBMUJFWSA-N 1 2 375.460 4.209 20 0 GIADLO Fc1ccc(F)c([C@@H]2C[C@@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000174838600 822844479 /nfs/dbraw/zinc/84/44/79/822844479.db2.gz NNAKNCZENWLREC-HKUYNNGSSA-N 1 2 397.425 4.118 20 0 GIADLO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000174861686 822847868 /nfs/dbraw/zinc/84/78/68/822847868.db2.gz YRPWJGJQCCSNGS-OXJNMPFZSA-N 1 2 382.483 4.114 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000174861888 822848034 /nfs/dbraw/zinc/84/80/34/822848034.db2.gz JEEYSXHCEZQGJU-IBGZPJMESA-N 1 2 396.560 4.006 20 0 GIADLO Cc1cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000186062032 822848518 /nfs/dbraw/zinc/84/85/18/822848518.db2.gz IZPYHKHYLHNYTK-UHFFFAOYSA-N 1 2 397.828 4.449 20 0 GIADLO CC[C@@](C)([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nccs1 ZINC000174871771 822849212 /nfs/dbraw/zinc/84/92/12/822849212.db2.gz DGLMLVJLIOBHQB-LJQANCHMSA-N 1 2 380.579 4.129 20 0 GIADLO O=C(CSc1ccc2ccccc2c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000053896902 822852220 /nfs/dbraw/zinc/85/22/20/822852220.db2.gz FYYFCPUNYNFJPX-UHFFFAOYSA-N 1 2 387.508 4.493 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c(C)[nH]c2ccccc21 ZINC000174899994 822852682 /nfs/dbraw/zinc/85/26/82/822852682.db2.gz VAPKQBPOVBSSBT-UHFFFAOYSA-N 1 2 376.504 4.250 20 0 GIADLO CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000174905669 822853817 /nfs/dbraw/zinc/85/38/17/822853817.db2.gz FMDHFGWWVFPLPE-GOSISDBHSA-N 1 2 383.492 4.058 20 0 GIADLO CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000174905669 822853819 /nfs/dbraw/zinc/85/38/19/822853819.db2.gz FMDHFGWWVFPLPE-GOSISDBHSA-N 1 2 383.492 4.058 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C)n(C2CC2)c1C ZINC000174910378 822854412 /nfs/dbraw/zinc/85/44/12/822854412.db2.gz QIEWGVVLQBGGLG-UHFFFAOYSA-N 1 2 380.536 4.214 20 0 GIADLO S=C1N=NC(Cc2cccs2)N1C[NH+]1CCC(c2ccsc2)CC1 ZINC000186136529 822854580 /nfs/dbraw/zinc/85/45/80/822854580.db2.gz LFAMCUGIEUJCCQ-UHFFFAOYSA-N 1 2 376.576 4.118 20 0 GIADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S ZINC000174951554 822860277 /nfs/dbraw/zinc/86/02/77/822860277.db2.gz XLJSADMYQAWACR-DLBZAZTESA-N 1 2 379.533 4.212 20 0 GIADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S ZINC000174951554 822860279 /nfs/dbraw/zinc/86/02/79/822860279.db2.gz XLJSADMYQAWACR-DLBZAZTESA-N 1 2 379.533 4.212 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc2ncsc2c1 ZINC000174959997 822861667 /nfs/dbraw/zinc/86/16/67/822861667.db2.gz YIEHZTLWLORVGI-UHFFFAOYSA-N 1 2 395.532 4.462 20 0 GIADLO O=C(CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000054122316 822863098 /nfs/dbraw/zinc/86/30/98/822863098.db2.gz VZFRNPXLIWHOFJ-UHFFFAOYSA-N 1 2 384.907 4.037 20 0 GIADLO O=C(CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000054122316 822863102 /nfs/dbraw/zinc/86/31/02/822863102.db2.gz VZFRNPXLIWHOFJ-UHFFFAOYSA-N 1 2 384.907 4.037 20 0 GIADLO O=C([C@@H]1CCCc2[nH+]ccn21)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457339759 822868460 /nfs/dbraw/zinc/86/84/60/822868460.db2.gz AXHPHVFRKFHPJH-SJORKVTESA-N 1 2 383.883 4.044 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Br)cc1F ZINC000054224514 822869441 /nfs/dbraw/zinc/86/94/41/822869441.db2.gz UQJHUOIVNAYFFF-UHFFFAOYSA-N 1 2 378.176 4.165 20 0 GIADLO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)NCCCCn1cc[nH+]c1 ZINC000569063261 822875626 /nfs/dbraw/zinc/87/56/26/822875626.db2.gz KXSJMNFZJQXPGP-UHFFFAOYSA-N 1 2 393.274 4.364 20 0 GIADLO CC[N@H+](Cc1nc(COc2ccc(F)cc2)no1)[C@@H](C)c1cccc(OC)c1 ZINC000054339910 822877016 /nfs/dbraw/zinc/87/70/16/822877016.db2.gz GUGVWCSZMKYDIZ-HNNXBMFYSA-N 1 2 385.439 4.379 20 0 GIADLO CC[N@@H+](Cc1nc(COc2ccc(F)cc2)no1)[C@@H](C)c1cccc(OC)c1 ZINC000054339910 822877019 /nfs/dbraw/zinc/87/70/19/822877019.db2.gz GUGVWCSZMKYDIZ-HNNXBMFYSA-N 1 2 385.439 4.379 20 0 GIADLO Cc1ccc(CSc2nnc(Cc3cccc4ccccc43)n2N)c(C)[nH+]1 ZINC000186332728 822877454 /nfs/dbraw/zinc/87/74/54/822877454.db2.gz KLIDZPQULKIKQV-UHFFFAOYSA-N 1 2 375.501 4.040 20 0 GIADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2NC(C)=O)C1)c1ccccc1 ZINC000054390494 822881229 /nfs/dbraw/zinc/88/12/29/822881229.db2.gz MQLZNMSDTLGUNS-JTSKRJEESA-N 1 2 393.531 4.049 20 0 GIADLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2NC(C)=O)C1)c1ccccc1 ZINC000054390494 822881232 /nfs/dbraw/zinc/88/12/32/822881232.db2.gz MQLZNMSDTLGUNS-JTSKRJEESA-N 1 2 393.531 4.049 20 0 GIADLO FC(F)Oc1c(Br)cccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000569155267 822885156 /nfs/dbraw/zinc/88/51/56/822885156.db2.gz BLVYTQLHGUMJGO-CQSZACIVSA-N 1 2 399.235 4.099 20 0 GIADLO FC(F)Oc1c(Br)cccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000569155267 822885162 /nfs/dbraw/zinc/88/51/62/822885162.db2.gz BLVYTQLHGUMJGO-CQSZACIVSA-N 1 2 399.235 4.099 20 0 GIADLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)c1nc(-c2cccc(F)c2)no1)c1ccccc1 ZINC000186405699 822889198 /nfs/dbraw/zinc/88/91/98/822889198.db2.gz LBIICBFFYCCFSE-KBXCAEBGSA-N 1 2 383.423 4.173 20 0 GIADLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)c1nc(-c2cccc(F)c2)no1)c1ccccc1 ZINC000186405699 822889206 /nfs/dbraw/zinc/88/92/06/822889206.db2.gz LBIICBFFYCCFSE-KBXCAEBGSA-N 1 2 383.423 4.173 20 0 GIADLO S=c1n(C[N@H+](C[C@H]2CCOC2)C2CC2)nc(-c2ccco2)n1-c1ccccc1 ZINC000054495250 822890897 /nfs/dbraw/zinc/89/08/97/822890897.db2.gz RPRUPXBSYUYGMO-MRXNPFEDSA-N 1 2 396.516 4.122 20 0 GIADLO S=c1n(C[N@@H+](C[C@H]2CCOC2)C2CC2)nc(-c2ccco2)n1-c1ccccc1 ZINC000054495250 822890901 /nfs/dbraw/zinc/89/09/01/822890901.db2.gz RPRUPXBSYUYGMO-MRXNPFEDSA-N 1 2 396.516 4.122 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)[C@H](C)c1nc2ccccc2s1 ZINC000186433689 822894762 /nfs/dbraw/zinc/89/47/62/822894762.db2.gz RYROKVKBDAMGCT-LSDHHAIUSA-N 1 2 393.516 4.275 20 0 GIADLO COc1ccc(CC[N@@H+](Cc2nc([C@@H](C)OC)no2)Cc2ccccc2)cc1 ZINC000175160891 822895106 /nfs/dbraw/zinc/89/51/06/822895106.db2.gz MHEBVVCZHFWTHS-QGZVFWFLSA-N 1 2 381.476 4.031 20 0 GIADLO COc1ccc(CC[N@H+](Cc2nc([C@@H](C)OC)no2)Cc2ccccc2)cc1 ZINC000175160891 822895112 /nfs/dbraw/zinc/89/51/12/822895112.db2.gz MHEBVVCZHFWTHS-QGZVFWFLSA-N 1 2 381.476 4.031 20 0 GIADLO O=C(Cc1c[nH]c2cccc(Cl)c12)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569249394 822896405 /nfs/dbraw/zinc/89/64/05/822896405.db2.gz MQBHPQCYPVFFLQ-HNNXBMFYSA-N 1 2 396.922 4.303 20 0 GIADLO CC(C)[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1nc(-c2cccnc2)no1 ZINC000569293627 822902964 /nfs/dbraw/zinc/90/29/64/822902964.db2.gz LUDRLDHZHQMRPO-INIZCTEOSA-N 1 2 392.381 4.343 20 0 GIADLO OC1(c2c(F)cccc2F)CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000186493192 822904481 /nfs/dbraw/zinc/90/44/81/822904481.db2.gz LRFWZIPUYFZKDL-UHFFFAOYSA-N 1 2 388.277 4.272 20 0 GIADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457678667 822905565 /nfs/dbraw/zinc/90/55/65/822905565.db2.gz ORMDKEMLMGXXQA-DAYGRLMNSA-N 1 2 394.441 4.192 20 0 GIADLO CO[C@@H](C)c1nc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cs1 ZINC000175218620 822907252 /nfs/dbraw/zinc/90/72/52/822907252.db2.gz OXMAEADRULGERR-UGSOOPFHSA-N 1 2 380.941 4.450 20 0 GIADLO CN(Cc1cc2ccccc2o1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175235471 822910740 /nfs/dbraw/zinc/91/07/40/822910740.db2.gz YLYNZDOLSIPQPC-UHFFFAOYSA-N 1 2 388.471 4.062 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3cccc4cccnc43)n2)C1 ZINC000054813772 822915281 /nfs/dbraw/zinc/91/52/81/822915281.db2.gz ABIHCPPMGKESQC-HNNXBMFYSA-N 1 2 380.517 4.104 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3cccc4cccnc43)n2)C1 ZINC000054813772 822915284 /nfs/dbraw/zinc/91/52/84/822915284.db2.gz ABIHCPPMGKESQC-HNNXBMFYSA-N 1 2 380.517 4.104 20 0 GIADLO CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(COC)c3)c2C1 ZINC000186584363 822917554 /nfs/dbraw/zinc/91/75/54/822917554.db2.gz XEWUILXDICZFDJ-MRXNPFEDSA-N 1 2 388.533 4.138 20 0 GIADLO CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(COC)c3)c2C1 ZINC000186584363 822917557 /nfs/dbraw/zinc/91/75/57/822917557.db2.gz XEWUILXDICZFDJ-MRXNPFEDSA-N 1 2 388.533 4.138 20 0 GIADLO CC[C@@H](C)n1ncc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1C ZINC000569421653 822920653 /nfs/dbraw/zinc/92/06/53/822920653.db2.gz OGYJJHALFSXQJW-CQSZACIVSA-N 1 2 375.542 4.103 20 0 GIADLO CO[C@H](C)c1nc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)cs1 ZINC000175272723 822921440 /nfs/dbraw/zinc/92/14/40/822921440.db2.gz BUVMSWHATKXGFR-LSDHHAIUSA-N 1 2 379.957 4.383 20 0 GIADLO Cc1cc(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1Br ZINC000457862005 822926469 /nfs/dbraw/zinc/92/64/69/822926469.db2.gz VJNNMOUYGCHXSX-AWEZNQCLSA-N 1 2 390.325 4.025 20 0 GIADLO Cc1cc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1Br ZINC000457862005 822926473 /nfs/dbraw/zinc/92/64/73/822926473.db2.gz VJNNMOUYGCHXSX-AWEZNQCLSA-N 1 2 390.325 4.025 20 0 GIADLO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1cnn(Cc2ccccc2)c1 ZINC000186635538 822927231 /nfs/dbraw/zinc/92/72/31/822927231.db2.gz PGRWNSVFABFANL-HXOBKFHXSA-N 1 2 389.478 4.244 20 0 GIADLO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1cnn(Cc2ccccc2)c1 ZINC000186635522 822927243 /nfs/dbraw/zinc/92/72/43/822927243.db2.gz PGRWNSVFABFANL-SBUREZEXSA-N 1 2 389.478 4.244 20 0 GIADLO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055031120 822932465 /nfs/dbraw/zinc/93/24/65/822932465.db2.gz AFJWRLWLOQGRDM-AWEZNQCLSA-N 1 2 397.504 4.145 20 0 GIADLO Cc1csc(Nc2ccc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)n1 ZINC000569515705 822932914 /nfs/dbraw/zinc/93/29/14/822932914.db2.gz TXKNXHRGANNNMI-KBXCAEBGSA-N 1 2 381.505 4.115 20 0 GIADLO COc1ccc(OCc2nc(C[N@H+](C)Cc3ccc(N(C)C)cc3)cs2)cc1 ZINC000055058677 822935957 /nfs/dbraw/zinc/93/59/57/822935957.db2.gz JOULUQRWPMQWCE-UHFFFAOYSA-N 1 2 397.544 4.429 20 0 GIADLO COc1ccc(OCc2nc(C[N@@H+](C)Cc3ccc(N(C)C)cc3)cs2)cc1 ZINC000055058677 822935960 /nfs/dbraw/zinc/93/59/60/822935960.db2.gz JOULUQRWPMQWCE-UHFFFAOYSA-N 1 2 397.544 4.429 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1(Cc3cccc(Cl)c3)CC1)C2 ZINC000569551079 822938828 /nfs/dbraw/zinc/93/88/28/822938828.db2.gz PTWDGSIVBVKQFO-MRXNPFEDSA-N 1 2 385.939 4.431 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1(Cc3cccc(Cl)c3)CC1)CC2 ZINC000569551079 822938832 /nfs/dbraw/zinc/93/88/32/822938832.db2.gz PTWDGSIVBVKQFO-MRXNPFEDSA-N 1 2 385.939 4.431 20 0 GIADLO O=C(COc1ccc(-c2[nH+]cc3n2CCCC3)cc1)Nc1cc(F)cc(F)c1 ZINC000569597694 822943303 /nfs/dbraw/zinc/94/33/03/822943303.db2.gz XNMCRTWHHGLVRG-UHFFFAOYSA-N 1 2 383.398 4.182 20 0 GIADLO Cc1cn(-c2ccccc2)nc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000569620231 822945731 /nfs/dbraw/zinc/94/57/31/822945731.db2.gz GZMUMNCQMCLXTI-UHFFFAOYSA-N 1 2 382.427 4.143 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)c(C)c1 ZINC000186756558 822950304 /nfs/dbraw/zinc/95/03/04/822950304.db2.gz IWQRHKUIBVNTAS-GOSISDBHSA-N 1 2 378.875 4.008 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)c(C)c1 ZINC000186756558 822950306 /nfs/dbraw/zinc/95/03/06/822950306.db2.gz IWQRHKUIBVNTAS-GOSISDBHSA-N 1 2 378.875 4.008 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(Cl)c1 ZINC000175376935 822951357 /nfs/dbraw/zinc/95/13/57/822951357.db2.gz SJKSKMAIJNMEJG-WZQKQDCOSA-N 1 2 392.952 4.326 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(Cl)c1 ZINC000175376935 822951360 /nfs/dbraw/zinc/95/13/60/822951360.db2.gz SJKSKMAIJNMEJG-WZQKQDCOSA-N 1 2 392.952 4.326 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000186804872 822958330 /nfs/dbraw/zinc/95/83/30/822958330.db2.gz ZZLVIVUXSWYFPU-UHFFFAOYSA-N 1 2 375.472 4.136 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000186804872 822958333 /nfs/dbraw/zinc/95/83/33/822958333.db2.gz ZZLVIVUXSWYFPU-UHFFFAOYSA-N 1 2 375.472 4.136 20 0 GIADLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(OCc2nccn2C)cc1 ZINC000186821783 822961352 /nfs/dbraw/zinc/96/13/52/822961352.db2.gz AWQCFPQEASIXBO-INIZCTEOSA-N 1 2 398.507 4.153 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3CCC(C(F)F)CC3)c2C1 ZINC000458149264 822962938 /nfs/dbraw/zinc/96/29/38/822962938.db2.gz RFTWCOBYSSBACZ-UHFFFAOYSA-N 1 2 387.474 4.167 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3CCC(C(F)F)CC3)c2C1 ZINC000458149264 822962940 /nfs/dbraw/zinc/96/29/40/822962940.db2.gz RFTWCOBYSSBACZ-UHFFFAOYSA-N 1 2 387.474 4.167 20 0 GIADLO CC[C@H](C)[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2[nH]1 ZINC000055441911 822963112 /nfs/dbraw/zinc/96/31/12/822963112.db2.gz GVAFFCFNIYWDNJ-KKSFZXQISA-N 1 2 387.487 4.325 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000175420924 822964502 /nfs/dbraw/zinc/96/45/02/822964502.db2.gz XQDMDPPISALNCE-PFUSGODGSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000175420924 822964508 /nfs/dbraw/zinc/96/45/08/822964508.db2.gz XQDMDPPISALNCE-PFUSGODGSA-N 1 2 398.450 4.074 20 0 GIADLO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000055493139 822970843 /nfs/dbraw/zinc/97/08/43/822970843.db2.gz HDWNUTNYOCYHSK-UHFFFAOYSA-N 1 2 399.498 4.255 20 0 GIADLO Cn1c[nH+]c(CCNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)c1 ZINC000458242417 822973112 /nfs/dbraw/zinc/97/31/12/822973112.db2.gz QXHKXARMNGQNPG-MRXNPFEDSA-N 1 2 382.430 4.068 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000175483931 822980128 /nfs/dbraw/zinc/98/01/28/822980128.db2.gz VFHGQNFXAKEDCG-UHFFFAOYSA-N 1 2 380.410 4.315 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000175483931 822980132 /nfs/dbraw/zinc/98/01/32/822980132.db2.gz VFHGQNFXAKEDCG-UHFFFAOYSA-N 1 2 380.410 4.315 20 0 GIADLO Cc1ccccc1-n1cc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)nn1 ZINC000569883682 822980438 /nfs/dbraw/zinc/98/04/38/822980438.db2.gz XFOCTZHOKSQIPO-UHFFFAOYSA-N 1 2 389.434 4.192 20 0 GIADLO C[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ncc(Br)cc1F ZINC000186921483 822980452 /nfs/dbraw/zinc/98/04/52/822980452.db2.gz IXRBYCYBLWMNFB-CJNGLKHVSA-N 1 2 396.304 4.454 20 0 GIADLO Cc1cccc2c1C[C@@H](c1nc([C@@H]3C[N@H+](Cc4ccccc4)[C@@H](C)CO3)no1)O2 ZINC000569900870 822983161 /nfs/dbraw/zinc/98/31/61/822983161.db2.gz DRAGBMQJQOBZDO-NDXORKPFSA-N 1 2 391.471 4.016 20 0 GIADLO Cc1cccc2c1C[C@@H](c1nc([C@@H]3C[N@@H+](Cc4ccccc4)[C@@H](C)CO3)no1)O2 ZINC000569900870 822983165 /nfs/dbraw/zinc/98/31/65/822983165.db2.gz DRAGBMQJQOBZDO-NDXORKPFSA-N 1 2 391.471 4.016 20 0 GIADLO C[C@@H](CC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)n1cc[nH+]c1 ZINC000569931576 822987184 /nfs/dbraw/zinc/98/71/84/822987184.db2.gz DHSWNSCPTGXEJT-KRWDZBQOSA-N 1 2 375.472 4.143 20 0 GIADLO Cc1ccc(OCC[N@@H+](C)Cc2csc(CC(=O)Nc3ccccc3)n2)cc1 ZINC000175511041 822987309 /nfs/dbraw/zinc/98/73/09/822987309.db2.gz BZXRAHWDVYXRFO-UHFFFAOYSA-N 1 2 395.528 4.144 20 0 GIADLO Cc1ccc(OCC[N@H+](C)Cc2csc(CC(=O)Nc3ccccc3)n2)cc1 ZINC000175511041 822987311 /nfs/dbraw/zinc/98/73/11/822987311.db2.gz BZXRAHWDVYXRFO-UHFFFAOYSA-N 1 2 395.528 4.144 20 0 GIADLO CC(=O)c1ccccc1NC(=O)CCC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000569937348 822987833 /nfs/dbraw/zinc/98/78/33/822987833.db2.gz KEVUDSZCMACTFA-UHFFFAOYSA-N 1 2 390.487 4.033 20 0 GIADLO CC(=O)c1ccccc1NC(=O)CCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000569937348 822987836 /nfs/dbraw/zinc/98/78/36/822987836.db2.gz KEVUDSZCMACTFA-UHFFFAOYSA-N 1 2 390.487 4.033 20 0 GIADLO CC(F)(F)c1cccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000186993251 822993718 /nfs/dbraw/zinc/99/37/18/822993718.db2.gz OKHCZWOMOIBLIK-UHFFFAOYSA-N 1 2 384.430 4.407 20 0 GIADLO Cc1ccc(-c2cnc(CCC(=O)NCc3ccccc3-n3cc[nH+]c3)o2)cc1 ZINC000055696383 823000240 /nfs/dbraw/zinc/00/02/40/823000240.db2.gz PAXHPFIAALVCLH-UHFFFAOYSA-N 1 2 386.455 4.085 20 0 GIADLO Cc1cc(C)n(-c2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2F)n1 ZINC000055717038 823002492 /nfs/dbraw/zinc/00/24/92/823002492.db2.gz YCKSJGBGWVKWBJ-UHFFFAOYSA-N 1 2 389.434 4.125 20 0 GIADLO C[C@@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000187104539 823011185 /nfs/dbraw/zinc/01/11/85/823011185.db2.gz YOAQABNZEMJMDP-UTKZUKDTSA-N 1 2 376.460 4.187 20 0 GIADLO Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000175665666 823015838 /nfs/dbraw/zinc/01/58/38/823015838.db2.gz CVCOOTXCQFNEQN-UHFFFAOYSA-N 1 2 392.846 4.419 20 0 GIADLO Cc1cccc(C)c1OCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000570233037 823017426 /nfs/dbraw/zinc/01/74/26/823017426.db2.gz DHGDNEJTHHFNAQ-OAHLLOKOSA-N 1 2 383.414 4.397 20 0 GIADLO Cc1cccc(C)c1OCC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000570233037 823017427 /nfs/dbraw/zinc/01/74/27/823017427.db2.gz DHGDNEJTHHFNAQ-OAHLLOKOSA-N 1 2 383.414 4.397 20 0 GIADLO CC(C)Oc1ccc(Cl)cc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000570317815 823025337 /nfs/dbraw/zinc/02/53/37/823025337.db2.gz LCWHGKWOYDFOEF-WMLDXEAASA-N 1 2 377.872 4.103 20 0 GIADLO CC(C)Oc1ccc(Cl)cc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000570317815 823025341 /nfs/dbraw/zinc/02/53/41/823025341.db2.gz LCWHGKWOYDFOEF-WMLDXEAASA-N 1 2 377.872 4.103 20 0 GIADLO CC[C@@H](C)c1ccc(NC(=O)Cc2noc([C@H](c3ccccc3)[NH+](C)C)n2)cc1 ZINC000570364631 823029573 /nfs/dbraw/zinc/02/95/73/823029573.db2.gz SYYAOONTJVSADF-ZHRRBRCNSA-N 1 2 392.503 4.415 20 0 GIADLO Cc1ccsc1[C@H](CO)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000570376192 823031240 /nfs/dbraw/zinc/03/12/40/823031240.db2.gz OGLBZFMYJQQYED-SFHVURJKSA-N 1 2 396.516 4.111 20 0 GIADLO Cc1cccc2[nH]c(CCC(=O)Nc3nc(C[NH+]4CCC(C)CC4)cs3)nc21 ZINC000175759888 823033522 /nfs/dbraw/zinc/03/35/22/823033522.db2.gz HPSXTEHLWPVPEH-UHFFFAOYSA-N 1 2 397.548 4.131 20 0 GIADLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2c1 ZINC000175774291 823037052 /nfs/dbraw/zinc/03/70/52/823037052.db2.gz OOJLTDRPOOJSTG-UHFFFAOYSA-N 1 2 392.528 4.426 20 0 GIADLO Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2c1 ZINC000175774291 823037056 /nfs/dbraw/zinc/03/70/56/823037056.db2.gz OOJLTDRPOOJSTG-UHFFFAOYSA-N 1 2 392.528 4.426 20 0 GIADLO CCn1c(COc2ccc(C)cc2)nnc1SCc1[nH+]cc(C)c(OC)c1C ZINC000123825994 823543573 /nfs/dbraw/zinc/54/35/73/823543573.db2.gz PCYMJLDMHMTUDP-UHFFFAOYSA-N 1 2 398.532 4.498 20 0 GIADLO COc1cccc([C@@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)c1 ZINC000177899108 823543583 /nfs/dbraw/zinc/54/35/83/823543583.db2.gz ZVCKHBHNQWQWJX-DEOSSOPVSA-N 1 2 390.483 4.243 20 0 GIADLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)CCO2)c1 ZINC000177899108 823543585 /nfs/dbraw/zinc/54/35/85/823543585.db2.gz ZVCKHBHNQWQWJX-DEOSSOPVSA-N 1 2 390.483 4.243 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)c2cccc(Cl)c2)c1C ZINC000060576060 823544022 /nfs/dbraw/zinc/54/40/22/823544022.db2.gz MNCHAWUDKVHCNL-UHFFFAOYSA-N 1 2 389.927 4.480 20 0 GIADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)Nc1ccc(-c2ncco2)cc1 ZINC000190169448 823545487 /nfs/dbraw/zinc/54/54/87/823545487.db2.gz GNHWAOBDYAHAGQ-UHFFFAOYSA-N 1 2 396.878 4.175 20 0 GIADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)Nc1ccc(-c2ncco2)cc1 ZINC000190169448 823545488 /nfs/dbraw/zinc/54/54/88/823545488.db2.gz GNHWAOBDYAHAGQ-UHFFFAOYSA-N 1 2 396.878 4.175 20 0 GIADLO COc1cccc(-n2ccn(C[N@H+](C)Cc3ccc(OC)c(F)c3)c2=S)c1 ZINC000060621552 823548747 /nfs/dbraw/zinc/54/87/47/823548747.db2.gz MHBJSUVFODEYLH-UHFFFAOYSA-N 1 2 387.480 4.254 20 0 GIADLO COc1cccc(-n2ccn(C[N@@H+](C)Cc3ccc(OC)c(F)c3)c2=S)c1 ZINC000060621552 823548748 /nfs/dbraw/zinc/54/87/48/823548748.db2.gz MHBJSUVFODEYLH-UHFFFAOYSA-N 1 2 387.480 4.254 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(Cl)o2)cc1 ZINC000060638563 823549731 /nfs/dbraw/zinc/54/97/31/823549731.db2.gz QIHGRNFMILIWEU-UHFFFAOYSA-N 1 2 387.867 4.261 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]3c3cccc(F)c3)cn2c1 ZINC000123916061 823551323 /nfs/dbraw/zinc/55/13/23/823551323.db2.gz PYQMFWOENITWBO-LJQANCHMSA-N 1 2 383.492 4.379 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)C[C@H](Cc3ccccc3)c3ccccc3)sc2C1 ZINC000460980569 823555190 /nfs/dbraw/zinc/55/51/90/823555190.db2.gz FKYDKZHPBRXGNM-IBGZPJMESA-N 1 2 391.540 4.486 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)C[C@H](Cc3ccccc3)c3ccccc3)sc2C1 ZINC000460980569 823555191 /nfs/dbraw/zinc/55/51/91/823555191.db2.gz FKYDKZHPBRXGNM-IBGZPJMESA-N 1 2 391.540 4.486 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2ccc(SC(C)C)cc2)c(C)[nH+]1 ZINC000411209962 823557516 /nfs/dbraw/zinc/55/75/16/823557516.db2.gz OYHMVWDICIQNBL-OAHLLOKOSA-N 1 2 385.533 4.323 20 0 GIADLO C[C@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000123992198 823558421 /nfs/dbraw/zinc/55/84/21/823558421.db2.gz KSJKGUXWZPLTCE-FXAWDEMLSA-N 1 2 391.519 4.090 20 0 GIADLO C[C@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000123991665 823558427 /nfs/dbraw/zinc/55/84/27/823558427.db2.gz KSJKGUXWZPLTCE-PXNSSMCTSA-N 1 2 391.519 4.090 20 0 GIADLO OCCNc1[nH+]c2ccccc2n1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000060816929 823559418 /nfs/dbraw/zinc/55/94/18/823559418.db2.gz VFMDIDDUMZGHMR-UHFFFAOYSA-N 1 2 398.919 4.190 20 0 GIADLO C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000190302318 823560699 /nfs/dbraw/zinc/56/06/99/823560699.db2.gz KEDNCLSILZPWHU-CKEIUWERSA-N 1 2 380.414 4.256 20 0 GIADLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000124031776 823561329 /nfs/dbraw/zinc/56/13/29/823561329.db2.gz RJKZSILUUITRBE-UHFFFAOYSA-N 1 2 397.425 4.155 20 0 GIADLO Cc1nc(C2([NH2+]CCC(=O)Nc3c(Cl)cccc3Cl)CCCC2)no1 ZINC000411297638 823563121 /nfs/dbraw/zinc/56/31/21/823563121.db2.gz XRKXUADVBBGBFA-UHFFFAOYSA-N 1 2 383.279 4.073 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NCc3cc(C)c(OC)c(C)c3)CCCC2)no1 ZINC000124055784 823563773 /nfs/dbraw/zinc/56/37/73/823563773.db2.gz SAZMQTDUWWNYNC-UHFFFAOYSA-N 1 2 386.540 4.096 20 0 GIADLO Cc1nc(C2([NH2+]CCC(=O)Nc3c(Cl)cccc3Cl)CCCCC2)no1 ZINC000411360430 823566288 /nfs/dbraw/zinc/56/62/88/823566288.db2.gz YYPWWOKFZPOQMT-UHFFFAOYSA-N 1 2 397.306 4.463 20 0 GIADLO Cc1nc2ccccc2nc1C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000060941818 823568313 /nfs/dbraw/zinc/56/83/13/823568313.db2.gz KDGTUONKVOLLSE-UHFFFAOYSA-N 1 2 384.886 4.049 20 0 GIADLO C[C@H](CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000124123295 823569682 /nfs/dbraw/zinc/56/96/82/823569682.db2.gz JKGFYDWKZHPHPL-IIDMSEBBSA-N 1 2 390.325 4.249 20 0 GIADLO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000411432783 823573547 /nfs/dbraw/zinc/57/35/47/823573547.db2.gz VJBCETKIXBMMFY-PMACEKPBSA-N 1 2 379.504 4.048 20 0 GIADLO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2cc(Br)cs2)cc1C ZINC000061024999 823573909 /nfs/dbraw/zinc/57/39/09/823573909.db2.gz RKDKGLFGCBDLSE-CQSZACIVSA-N 1 2 395.366 4.437 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(Br)c1 ZINC000190437397 823573934 /nfs/dbraw/zinc/57/39/34/823573934.db2.gz KOSGRCZPGTZECT-UHFFFAOYSA-N 1 2 379.302 4.152 20 0 GIADLO Cn1c(C[NH2+]Cc2cc(Br)ccc2OC(F)F)nc2ccccc21 ZINC000061030022 823574250 /nfs/dbraw/zinc/57/42/50/823574250.db2.gz UJVMSECKQMTODQ-UHFFFAOYSA-N 1 2 396.235 4.227 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000124182125 823575234 /nfs/dbraw/zinc/57/52/34/823575234.db2.gz ZTTCSCKDSLYFOZ-PILAGYSTSA-N 1 2 377.410 4.115 20 0 GIADLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000190445810 823575386 /nfs/dbraw/zinc/57/53/86/823575386.db2.gz HGRCEWOELJRAJR-CQSZACIVSA-N 1 2 386.293 4.494 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000190448349 823575828 /nfs/dbraw/zinc/57/58/28/823575828.db2.gz CWYNNDOAVPMHJW-AWEZNQCLSA-N 1 2 380.895 4.421 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000190464223 823578087 /nfs/dbraw/zinc/57/80/87/823578087.db2.gz PCHKXEXJHPLQTB-UHFFFAOYSA-N 1 2 388.943 4.252 20 0 GIADLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1nc(COc2ccc(F)cc2)no1 ZINC000190493326 823580738 /nfs/dbraw/zinc/58/07/38/823580738.db2.gz ISVXQZHFYLHGOZ-UHFFFAOYSA-N 1 2 380.423 4.291 20 0 GIADLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1nc(COc2ccc(F)cc2)no1 ZINC000190493326 823580742 /nfs/dbraw/zinc/58/07/42/823580742.db2.gz ISVXQZHFYLHGOZ-UHFFFAOYSA-N 1 2 380.423 4.291 20 0 GIADLO CC[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000411515167 823583183 /nfs/dbraw/zinc/58/31/83/823583183.db2.gz HMXNHKOJBHPWDY-STQMWFEESA-N 1 2 387.402 4.147 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000190536320 823584214 /nfs/dbraw/zinc/58/42/14/823584214.db2.gz SKRUMFBJBZGIJK-AWEZNQCLSA-N 1 2 380.895 4.421 20 0 GIADLO c1ccc(-n2c(C[NH+]3CCCC3)nnc2SCc2nc3ccccc3[nH]2)cc1 ZINC000124365608 823590604 /nfs/dbraw/zinc/59/06/04/823590604.db2.gz PGUFIPQPTCXOIV-UHFFFAOYSA-N 1 2 390.516 4.032 20 0 GIADLO O[C@H]([C@H]1CCC[N@H+](Cc2cccc(Br)c2Cl)C1)C(F)(F)F ZINC000411634595 823592807 /nfs/dbraw/zinc/59/28/07/823592807.db2.gz LUFOYFUECOQDJK-GXFFZTMASA-N 1 2 386.639 4.238 20 0 GIADLO O[C@H]([C@H]1CCC[N@@H+](Cc2cccc(Br)c2Cl)C1)C(F)(F)F ZINC000411634595 823592812 /nfs/dbraw/zinc/59/28/12/823592812.db2.gz LUFOYFUECOQDJK-GXFFZTMASA-N 1 2 386.639 4.238 20 0 GIADLO CCc1nnc(C2CC[NH+]([C@H](C)c3nc(-c4ccc(Cl)cc4)no3)CC2)[nH]1 ZINC000190655524 823595643 /nfs/dbraw/zinc/59/56/43/823595643.db2.gz REDAKTCVOPXPKZ-GFCCVEGCSA-N 1 2 386.887 4.011 20 0 GIADLO CCc1n[nH]c(C2CC[NH+]([C@H](C)c3nc(-c4ccc(Cl)cc4)no3)CC2)n1 ZINC000190655524 823595647 /nfs/dbraw/zinc/59/56/47/823595647.db2.gz REDAKTCVOPXPKZ-GFCCVEGCSA-N 1 2 386.887 4.011 20 0 GIADLO CCc1nc(C2CC[NH+]([C@H](C)c3nc(-c4ccc(Cl)cc4)no3)CC2)n[nH]1 ZINC000190655524 823595648 /nfs/dbraw/zinc/59/56/48/823595648.db2.gz REDAKTCVOPXPKZ-GFCCVEGCSA-N 1 2 386.887 4.011 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cccc4c3OC(C)(C)C4)cc2)c1C ZINC000461206042 823598427 /nfs/dbraw/zinc/59/84/27/823598427.db2.gz DXAXJSVGHCQJKX-UHFFFAOYSA-N 1 2 397.500 4.003 20 0 GIADLO OC[C@@H]1C[N@H+](Cc2cccc(Br)c2Cl)CC[C@@H]1C(F)(F)F ZINC000411717592 823599520 /nfs/dbraw/zinc/59/95/20/823599520.db2.gz IXAMTKOZEDQXTE-QWRGUYRKSA-N 1 2 386.639 4.095 20 0 GIADLO OC[C@@H]1C[N@@H+](Cc2cccc(Br)c2Cl)CC[C@@H]1C(F)(F)F ZINC000411717592 823599523 /nfs/dbraw/zinc/59/95/23/823599523.db2.gz IXAMTKOZEDQXTE-QWRGUYRKSA-N 1 2 386.639 4.095 20 0 GIADLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2cccc(Br)c2Cl)CC1 ZINC000411724068 823600138 /nfs/dbraw/zinc/60/01/38/823600138.db2.gz XXCZHMWNFCJSKZ-CYBMUJFWSA-N 1 2 386.639 4.382 20 0 GIADLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cccc(Br)c2Cl)CC1 ZINC000411724068 823600141 /nfs/dbraw/zinc/60/01/41/823600141.db2.gz XXCZHMWNFCJSKZ-CYBMUJFWSA-N 1 2 386.639 4.382 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc3cc(Br)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000124491980 823601042 /nfs/dbraw/zinc/60/10/42/823601042.db2.gz MGAHLLZXUVGYRQ-WFASDCNBSA-N 1 2 388.265 4.115 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2c(F)c(F)c(Br)c(F)c2F)ccn1 ZINC000411747798 823602301 /nfs/dbraw/zinc/60/23/01/823602301.db2.gz YQOMCRLXJUBBGF-SSDOTTSWSA-N 1 2 393.178 4.260 20 0 GIADLO CS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000411757410 823602824 /nfs/dbraw/zinc/60/28/24/823602824.db2.gz MABVQZMEXHHOGY-UZLBHIALSA-N 1 2 377.937 4.186 20 0 GIADLO CS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000411757410 823602825 /nfs/dbraw/zinc/60/28/25/823602825.db2.gz MABVQZMEXHHOGY-UZLBHIALSA-N 1 2 377.937 4.186 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)o2)cc1 ZINC000190732233 823602982 /nfs/dbraw/zinc/60/29/82/823602982.db2.gz QTSVXUDBVZOPPE-NVXWUHKLSA-N 1 2 386.496 4.095 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)o2)cc1 ZINC000190732233 823602983 /nfs/dbraw/zinc/60/29/83/823602983.db2.gz QTSVXUDBVZOPPE-NVXWUHKLSA-N 1 2 386.496 4.095 20 0 GIADLO O=S1(=O)CC[C@]2(C1)CCC[N@@H+]([C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000411799036 823605898 /nfs/dbraw/zinc/60/58/98/823605898.db2.gz YDCBPXUVPYBUJX-LEWJYISDSA-N 1 2 389.948 4.330 20 0 GIADLO O=S1(=O)CC[C@]2(C1)CCC[N@H+]([C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000411799036 823605902 /nfs/dbraw/zinc/60/59/02/823605902.db2.gz YDCBPXUVPYBUJX-LEWJYISDSA-N 1 2 389.948 4.330 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC000411809491 823606708 /nfs/dbraw/zinc/60/67/08/823606708.db2.gz UKGVPDZXVKZMBX-AEFFLSMTSA-N 1 2 385.895 4.051 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)C[C@H]1n1cc[nH+]c1 ZINC000124594336 823609445 /nfs/dbraw/zinc/60/94/45/823609445.db2.gz JVKYNFIBSWHNAC-DNVCBOLYSA-N 1 2 377.513 4.434 20 0 GIADLO C/C(=C/C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(C(F)(F)F)c1 ZINC000124608668 823610742 /nfs/dbraw/zinc/61/07/42/823610742.db2.gz RGVXVVCTCJWZGG-AEWUMBHXSA-N 1 2 377.410 4.415 20 0 GIADLO C/C(=C/C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(C(F)(F)F)c1 ZINC000124609086 823610760 /nfs/dbraw/zinc/61/07/60/823610760.db2.gz RGVXVVCTCJWZGG-XQXPXKAISA-N 1 2 377.410 4.415 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411869604 823611503 /nfs/dbraw/zinc/61/15/03/823611503.db2.gz NGEUNFMUMFSIOL-ZDUSSCGKSA-N 1 2 383.355 4.138 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCSC2(CCC2)CC1 ZINC000411869604 823611505 /nfs/dbraw/zinc/61/15/05/823611505.db2.gz NGEUNFMUMFSIOL-ZDUSSCGKSA-N 1 2 383.355 4.138 20 0 GIADLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000061780558 823613978 /nfs/dbraw/zinc/61/39/78/823613978.db2.gz OZTPFYDPHBPORJ-YJBOKZPZSA-N 1 2 395.528 4.319 20 0 GIADLO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000061780558 823613980 /nfs/dbraw/zinc/61/39/80/823613980.db2.gz OZTPFYDPHBPORJ-YJBOKZPZSA-N 1 2 395.528 4.319 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccccc2COc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000124657112 823614839 /nfs/dbraw/zinc/61/48/39/823614839.db2.gz UQMGUFAGDRWELL-GCJKJVERSA-N 1 2 375.472 4.185 20 0 GIADLO Cc1ccc(OCc2nc(C[N@@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cs2)cc1 ZINC000411934162 823614997 /nfs/dbraw/zinc/61/49/97/823614997.db2.gz HHFBYEUGUOOTDP-TZIWHRDSSA-N 1 2 380.513 4.338 20 0 GIADLO Cc1ccc(OCc2nc(C[N@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cs2)cc1 ZINC000411934162 823614999 /nfs/dbraw/zinc/61/49/99/823614999.db2.gz HHFBYEUGUOOTDP-TZIWHRDSSA-N 1 2 380.513 4.338 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnnn1C1CC1 ZINC000190845176 823615687 /nfs/dbraw/zinc/61/56/87/823615687.db2.gz GHSOVXXUUYTOCI-IUCAKERBSA-N 1 2 393.335 4.457 20 0 GIADLO O=C([C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000124712684 823619978 /nfs/dbraw/zinc/61/99/78/823619978.db2.gz QPFMLRCNDIJMCI-SJORKVTESA-N 1 2 394.462 4.215 20 0 GIADLO Cc1ccnc(-c2noc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCCC3)n2)c1 ZINC000412012339 823622480 /nfs/dbraw/zinc/62/24/80/823622480.db2.gz XGYRXKCMNLUXJM-NRFANRHFSA-N 1 2 392.503 4.214 20 0 GIADLO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000412062674 823625265 /nfs/dbraw/zinc/62/52/65/823625265.db2.gz IOZHZZNOQUZBBR-AWEZNQCLSA-N 1 2 398.906 4.252 20 0 GIADLO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000412062674 823625267 /nfs/dbraw/zinc/62/52/67/823625267.db2.gz IOZHZZNOQUZBBR-AWEZNQCLSA-N 1 2 398.906 4.252 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cs1)c1cccc(C)c1C ZINC000412074674 823625821 /nfs/dbraw/zinc/62/58/21/823625821.db2.gz IRBDVFQWBKNVSD-AEFFLSMTSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cs1)c1cccc(C)c1C ZINC000412074674 823625823 /nfs/dbraw/zinc/62/58/23/823625823.db2.gz IRBDVFQWBKNVSD-AEFFLSMTSA-N 1 2 387.549 4.037 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000412147000 823630363 /nfs/dbraw/zinc/63/03/63/823630363.db2.gz GDKLFQMMCAQOFZ-REWPJTCUSA-N 1 2 381.495 4.031 20 0 GIADLO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@@H+](C(C)C)C3)ccc1OC(C)C ZINC000461424402 823633835 /nfs/dbraw/zinc/63/38/35/823633835.db2.gz GGTMLTJWMAKVEA-UHFFFAOYSA-N 1 2 388.533 4.307 20 0 GIADLO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@H+](C(C)C)C3)ccc1OC(C)C ZINC000461424402 823633837 /nfs/dbraw/zinc/63/38/37/823633837.db2.gz GGTMLTJWMAKVEA-UHFFFAOYSA-N 1 2 388.533 4.307 20 0 GIADLO Cc1ccccc1COc1cccc(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000124922026 823637385 /nfs/dbraw/zinc/63/73/85/823637385.db2.gz OBLPOIFHOPOPTD-UHFFFAOYSA-N 1 2 378.476 4.325 20 0 GIADLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1)S(C)(=O)=O ZINC000124944372 823639311 /nfs/dbraw/zinc/63/93/11/823639311.db2.gz HBLAZLHNXDRMBU-UONOGXRCSA-N 1 2 383.460 4.011 20 0 GIADLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1)S(C)(=O)=O ZINC000124944372 823639313 /nfs/dbraw/zinc/63/93/13/823639313.db2.gz HBLAZLHNXDRMBU-UONOGXRCSA-N 1 2 383.460 4.011 20 0 GIADLO Cc1cc(C(F)(F)F)ccc1CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000191029650 823639953 /nfs/dbraw/zinc/63/99/53/823639953.db2.gz QRZQRTLZHMRWGK-UHFFFAOYSA-N 1 2 379.426 4.230 20 0 GIADLO CCS(=O)(=O)CCCCC[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000191036127 823640880 /nfs/dbraw/zinc/64/08/80/823640880.db2.gz ZDCJMSPYGJWHBZ-UHFFFAOYSA-N 1 2 398.619 4.143 20 0 GIADLO CCS(=O)(=O)CCCCC[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000191036127 823640883 /nfs/dbraw/zinc/64/08/83/823640883.db2.gz ZDCJMSPYGJWHBZ-UHFFFAOYSA-N 1 2 398.619 4.143 20 0 GIADLO COc1ccnc(C[NH2+][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1OC ZINC000191041969 823641428 /nfs/dbraw/zinc/64/14/28/823641428.db2.gz BEPORJDFUGPNDE-INIZCTEOSA-N 1 2 391.471 4.202 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC1 ZINC000412269877 823641962 /nfs/dbraw/zinc/64/19/62/823641962.db2.gz MBPURJXDGMXNNM-IIBYNOLFSA-N 1 2 384.545 4.243 20 0 GIADLO Cc1ccccc1OCc1nnc(SCCn2cc[nH+]c2)n1-c1ccccc1 ZINC000124987642 823642987 /nfs/dbraw/zinc/64/29/87/823642987.db2.gz RWVCSVAODDHADS-UHFFFAOYSA-N 1 2 391.500 4.144 20 0 GIADLO CC1(C)C[C@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc2O1 ZINC000412320046 823646140 /nfs/dbraw/zinc/64/61/40/823646140.db2.gz LKXADXRQEGEQQJ-XLIONFOSSA-N 1 2 393.531 4.270 20 0 GIADLO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000125045771 823647820 /nfs/dbraw/zinc/64/78/20/823647820.db2.gz TWFUSGFBPAMAKW-INIZCTEOSA-N 1 2 398.532 4.015 20 0 GIADLO C[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000191104645 823649727 /nfs/dbraw/zinc/64/97/27/823649727.db2.gz PGPANHMGIWJRSR-IIDMSEBBSA-N 1 2 394.441 4.298 20 0 GIADLO Cc1cc(OCc2ccccc2)ccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000125087158 823650986 /nfs/dbraw/zinc/65/09/86/823650986.db2.gz IQRDTDAYXLVBBD-UHFFFAOYSA-N 1 2 378.476 4.325 20 0 GIADLO CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000063197650 823654891 /nfs/dbraw/zinc/65/48/91/823654891.db2.gz HWGGAAJFCLRTND-HNNXBMFYSA-N 1 2 387.480 4.003 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Oc2cccnc2)cc1 ZINC000063289102 823660325 /nfs/dbraw/zinc/66/03/25/823660325.db2.gz HCLPQSAWTVFZAW-UHFFFAOYSA-N 1 2 384.439 4.049 20 0 GIADLO C[C@@H](c1nnc(SC[C@H](O)C2CCCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191240344 823662368 /nfs/dbraw/zinc/66/23/68/823662368.db2.gz LFTCKFFKGAOVGH-KSSFIOAISA-N 1 2 392.544 4.062 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(OCC4CC4)cc3)n2)c1 ZINC000191243662 823662784 /nfs/dbraw/zinc/66/27/84/823662784.db2.gz PPGVTOCDSQIUPZ-HNNXBMFYSA-N 1 2 379.460 4.385 20 0 GIADLO CCN(Cc1cccs1)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000125282886 823664780 /nfs/dbraw/zinc/66/47/80/823664780.db2.gz IFJWUMRVHMBQOK-IRXDYDNUSA-N 1 2 387.549 4.411 20 0 GIADLO Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2C(C)C)cc1 ZINC000125291418 823665425 /nfs/dbraw/zinc/66/54/25/823665425.db2.gz WIBVEFGIKAWYSZ-WIYYLYMNSA-N 1 2 391.519 4.224 20 0 GIADLO C[C@@H]1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000125318343 823667400 /nfs/dbraw/zinc/66/74/00/823667400.db2.gz HEJOPMJQQULWNF-GDBMZVCRSA-N 1 2 396.318 4.459 20 0 GIADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191302334 823669245 /nfs/dbraw/zinc/66/92/45/823669245.db2.gz JZVWYVWFFUBVQL-SNVBAGLBSA-N 1 2 392.397 4.108 20 0 GIADLO C[C@H](c1c(F)cccc1F)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191302334 823669246 /nfs/dbraw/zinc/66/92/46/823669246.db2.gz JZVWYVWFFUBVQL-SNVBAGLBSA-N 1 2 392.397 4.108 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000125418314 823674706 /nfs/dbraw/zinc/67/47/06/823674706.db2.gz MJBGZIVNRQQFJB-GAJHUEQPSA-N 1 2 397.482 4.217 20 0 GIADLO CCc1nc(C[N@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2C)cs1 ZINC000063604831 823682767 /nfs/dbraw/zinc/68/27/67/823682767.db2.gz PXTHIFYKPDCHSM-SFHVURJKSA-N 1 2 376.566 4.183 20 0 GIADLO CCc1nc(C[N@@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2C)cs1 ZINC000063604831 823682768 /nfs/dbraw/zinc/68/27/68/823682768.db2.gz PXTHIFYKPDCHSM-SFHVURJKSA-N 1 2 376.566 4.183 20 0 GIADLO CC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(F)ccc1F ZINC000125555208 823684777 /nfs/dbraw/zinc/68/47/77/823684777.db2.gz HYUCNOUPBMVJEU-IBGZPJMESA-N 1 2 388.462 4.301 20 0 GIADLO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@@H+](C)Cc1cscn1)c1ccccc1 ZINC000063653182 823687229 /nfs/dbraw/zinc/68/72/29/823687229.db2.gz MJOPKVUYSCHKQU-UNMCSNQZSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@H+](C)Cc1cscn1)c1ccccc1 ZINC000063653182 823687230 /nfs/dbraw/zinc/68/72/30/823687230.db2.gz MJOPKVUYSCHKQU-UNMCSNQZSA-N 1 2 382.529 4.050 20 0 GIADLO CC(=O)Nc1nc(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)cs1 ZINC000191464114 823687964 /nfs/dbraw/zinc/68/79/64/823687964.db2.gz DKUXFQFJSFCATB-UHFFFAOYSA-N 1 2 394.338 4.276 20 0 GIADLO CC(=O)Nc1nc(C[N@H+](Cc2cccc(Br)c2)CC2CC2)cs1 ZINC000191464114 823687965 /nfs/dbraw/zinc/68/79/65/823687965.db2.gz DKUXFQFJSFCATB-UHFFFAOYSA-N 1 2 394.338 4.276 20 0 GIADLO Brc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)o1 ZINC000191470002 823688590 /nfs/dbraw/zinc/68/85/90/823688590.db2.gz WFCPCALWNDZPOX-UHFFFAOYSA-N 1 2 386.293 4.040 20 0 GIADLO O=C(NCCNc1cccc[nH+]1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000063707176 823690388 /nfs/dbraw/zinc/69/03/88/823690388.db2.gz RKFZPMYSDADTRA-UHFFFAOYSA-N 1 2 381.863 4.156 20 0 GIADLO COc1ccccc1-c1csc(C2CC[NH+](Cc3nc(C4CC4)no3)CC2)n1 ZINC000191513213 823694007 /nfs/dbraw/zinc/69/40/07/823694007.db2.gz MHASSFBXXRQHFB-UHFFFAOYSA-N 1 2 396.516 4.459 20 0 GIADLO FC(F)SCc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)o1 ZINC000125659202 823694428 /nfs/dbraw/zinc/69/44/28/823694428.db2.gz LEBGEYVILQMMHU-UHFFFAOYSA-N 1 2 396.488 4.062 20 0 GIADLO C[C@H]([NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)c1nc(-c2cccc(F)c2)no1 ZINC000191529620 823695963 /nfs/dbraw/zinc/69/59/63/823695963.db2.gz ANCFVECXEBQLFH-NSHDSACASA-N 1 2 399.376 4.395 20 0 GIADLO C[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1nc(-c2cccc(F)c2)no1 ZINC000191531815 823696329 /nfs/dbraw/zinc/69/63/29/823696329.db2.gz BFKGTTKIMGPZIG-ZDUSSCGKSA-N 1 2 383.423 4.372 20 0 GIADLO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000191532829 823696513 /nfs/dbraw/zinc/69/65/13/823696513.db2.gz HZQJCFCGGQOHCN-CQSZACIVSA-N 1 2 377.423 4.425 20 0 GIADLO c1ncc(CCSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)s1 ZINC000412982635 823697328 /nfs/dbraw/zinc/69/73/28/823697328.db2.gz KYVIROCUEMHGLL-UHFFFAOYSA-N 1 2 385.562 4.045 20 0 GIADLO CC(C)(CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000063808598 823698672 /nfs/dbraw/zinc/69/86/72/823698672.db2.gz VGMQHKGRGVFBNM-UHFFFAOYSA-N 1 2 396.922 4.362 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)n2)c1 ZINC000191564745 823700521 /nfs/dbraw/zinc/70/05/21/823700521.db2.gz RHDQFOJSQMBKKD-AWEZNQCLSA-N 1 2 395.459 4.241 20 0 GIADLO CCOc1cccc2cc([C@H](C)Nc3cc(N4CC[C@H]([C@H](C)O)C4)nc[nH+]3)oc21 ZINC000413045520 823701458 /nfs/dbraw/zinc/70/14/58/823701458.db2.gz YFURLYXDXGDKDY-ZOBUZTSGSA-N 1 2 396.491 4.002 20 0 GIADLO CCOc1cccc2cc([C@H](C)Nc3cc(N4CC[C@H]([C@H](C)O)C4)[nH+]cn3)oc21 ZINC000413045520 823701460 /nfs/dbraw/zinc/70/14/60/823701460.db2.gz YFURLYXDXGDKDY-ZOBUZTSGSA-N 1 2 396.491 4.002 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(NCc3cccc(Oc4ccccc4)c3)[nH+]cn2)C1 ZINC000413056685 823702055 /nfs/dbraw/zinc/70/20/55/823702055.db2.gz VMGDKQZEVAVUQK-HKUYNNGSSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(NCc3cccc(Oc4ccccc4)c3)nc[nH+]2)C1 ZINC000413056685 823702057 /nfs/dbraw/zinc/70/20/57/823702057.db2.gz VMGDKQZEVAVUQK-HKUYNNGSSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191594564 823706479 /nfs/dbraw/zinc/70/64/79/823706479.db2.gz YSMPKQWJSXRCLU-HUUCEWRRSA-N 1 2 398.894 4.382 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000125778656 823708315 /nfs/dbraw/zinc/70/83/15/823708315.db2.gz XFFMEFLLLLUUPV-VQIMIIECSA-N 1 2 398.869 4.079 20 0 GIADLO Cc1cc(CSc2ccccc2C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)on1 ZINC000125784635 823709793 /nfs/dbraw/zinc/70/97/93/823709793.db2.gz MYRJJLJJAHJSDC-HNAYVOBHSA-N 1 2 396.516 4.195 20 0 GIADLO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)c(C)c1 ZINC000191603274 823709913 /nfs/dbraw/zinc/70/99/13/823709913.db2.gz LMYPUHBVVCEWSL-MSOLQXFVSA-N 1 2 392.503 4.345 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413123850 823710636 /nfs/dbraw/zinc/71/06/36/823710636.db2.gz NKQWSHLDPSHVCM-VXGBXAGGSA-N 1 2 387.484 4.013 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413123850 823710639 /nfs/dbraw/zinc/71/06/39/823710639.db2.gz NKQWSHLDPSHVCM-VXGBXAGGSA-N 1 2 387.484 4.013 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000413122354 823710728 /nfs/dbraw/zinc/71/07/28/823710728.db2.gz JQKLIAZEQVCFRX-NRFANRHFSA-N 1 2 390.531 4.030 20 0 GIADLO CN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000413125965 823711214 /nfs/dbraw/zinc/71/12/14/823711214.db2.gz RPHQDKSAXIFCCA-VXKWHMMOSA-N 1 2 392.547 4.418 20 0 GIADLO COc1cc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)ccc1OCC(F)(F)F ZINC000125806396 823715985 /nfs/dbraw/zinc/71/59/85/823715985.db2.gz FKGNUSMEILLGTL-GOSISDBHSA-N 1 2 391.393 4.239 20 0 GIADLO O=c1nc(C[NH+]2CCC(c3ccncc3)CC2)[nH]c2scc(-c3ccco3)c21 ZINC000191633532 823720192 /nfs/dbraw/zinc/72/01/92/823720192.db2.gz OVDBEUCMLFOTRW-UHFFFAOYSA-N 1 2 392.484 4.019 20 0 GIADLO Cc1ccc(-c2noc(CCC[N@@H+]3CCO[C@H](c4ccsc4)C3)n2)cc1F ZINC000125832101 823722726 /nfs/dbraw/zinc/72/27/26/823722726.db2.gz HFLXUMSUTUNFHC-SFHVURJKSA-N 1 2 387.480 4.252 20 0 GIADLO Cc1ccc(-c2noc(CCC[N@H+]3CCO[C@H](c4ccsc4)C3)n2)cc1F ZINC000125832101 823722729 /nfs/dbraw/zinc/72/27/29/823722729.db2.gz HFLXUMSUTUNFHC-SFHVURJKSA-N 1 2 387.480 4.252 20 0 GIADLO CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cs1 ZINC000191645748 823723120 /nfs/dbraw/zinc/72/31/20/823723120.db2.gz HCYAVJUUINOURJ-CXAGYDPISA-N 1 2 393.503 4.387 20 0 GIADLO COc1ccc([C@@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1F ZINC000163608255 823727587 /nfs/dbraw/zinc/72/75/87/823727587.db2.gz WCYRCOCWYDGXLZ-HUUCEWRRSA-N 1 2 391.512 4.045 20 0 GIADLO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1nc(-c2cccs2)cs1 ZINC000191667785 823728269 /nfs/dbraw/zinc/72/82/69/823728269.db2.gz GRWUKVGHXJKGBP-UHFFFAOYSA-N 1 2 384.530 4.085 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000413219689 823731493 /nfs/dbraw/zinc/73/14/93/823731493.db2.gz MVJDQPASUPUEEB-AWEZNQCLSA-N 1 2 398.308 4.308 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CCc2sc(Cl)cc21 ZINC000574448257 823733873 /nfs/dbraw/zinc/73/38/73/823733873.db2.gz ZTPPMAPVCOQINP-MRXNPFEDSA-N 1 2 386.908 4.133 20 0 GIADLO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000125879427 823734868 /nfs/dbraw/zinc/73/48/68/823734868.db2.gz IGBMGLIMBUYUSG-BEFAXECRSA-N 1 2 390.915 4.003 20 0 GIADLO CC(C)c1c(NC(=O)NCCCn2cc[nH+]c2)cnn1-c1ccc(Cl)cc1 ZINC000191698284 823739427 /nfs/dbraw/zinc/73/94/27/823739427.db2.gz FRQBNOJGYJRGPH-UHFFFAOYSA-N 1 2 386.887 4.057 20 0 GIADLO C[C@@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(Br)c1 ZINC000461896343 823742742 /nfs/dbraw/zinc/74/27/42/823742742.db2.gz URLBJLUHYTURRK-OAHLLOKOSA-N 1 2 398.304 4.114 20 0 GIADLO C[C@H]1CCN(C(=O)COc2ccccc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000125917511 823743663 /nfs/dbraw/zinc/74/36/63/823743663.db2.gz QSKHRYCROZDYRD-GHTZIAJQSA-N 1 2 375.472 4.039 20 0 GIADLO CCOCc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000125929455 823747216 /nfs/dbraw/zinc/74/72/16/823747216.db2.gz UNKDYORSLLDPSV-VXKWHMMOSA-N 1 2 390.487 4.470 20 0 GIADLO CCOC(=O)C[N@H+](Cc1ccccc1)Cc1c(O)ccc2ccc(OC)cc21 ZINC000064113016 823747920 /nfs/dbraw/zinc/74/79/20/823747920.db2.gz ZBAIWICFDZJQPJ-UHFFFAOYSA-N 1 2 379.456 4.119 20 0 GIADLO CCOC(=O)C[N@@H+](Cc1ccccc1)Cc1c(O)ccc2ccc(OC)cc21 ZINC000064113016 823747924 /nfs/dbraw/zinc/74/79/24/823747924.db2.gz ZBAIWICFDZJQPJ-UHFFFAOYSA-N 1 2 379.456 4.119 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(-c4ccccc4)cc3F)[nH+]cn2)C1 ZINC000413301138 823748100 /nfs/dbraw/zinc/74/81/00/823748100.db2.gz KMTVTIJVEFMLSH-JXFKEZNVSA-N 1 2 392.478 4.102 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(-c4ccccc4)cc3F)nc[nH+]2)C1 ZINC000413301138 823748109 /nfs/dbraw/zinc/74/81/09/823748109.db2.gz KMTVTIJVEFMLSH-JXFKEZNVSA-N 1 2 392.478 4.102 20 0 GIADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000125937934 823749263 /nfs/dbraw/zinc/74/92/63/823749263.db2.gz UXVAFTIGBZBSQO-LBPRGKRZSA-N 1 2 389.414 4.441 20 0 GIADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000125937934 823749269 /nfs/dbraw/zinc/74/92/69/823749269.db2.gz UXVAFTIGBZBSQO-LBPRGKRZSA-N 1 2 389.414 4.441 20 0 GIADLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(C)c(C)cc1OC(F)F ZINC000574535149 823757917 /nfs/dbraw/zinc/75/79/17/823757917.db2.gz IBQKFWKSRASCQD-UHFFFAOYSA-N 1 2 382.476 4.105 20 0 GIADLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc(C)c(C)cc1OC(F)F ZINC000574535149 823757921 /nfs/dbraw/zinc/75/79/21/823757921.db2.gz IBQKFWKSRASCQD-UHFFFAOYSA-N 1 2 382.476 4.105 20 0 GIADLO CCCOc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000163899874 823758707 /nfs/dbraw/zinc/75/87/07/823758707.db2.gz MNTOKACMPOCWRR-OAHLLOKOSA-N 1 2 390.915 4.349 20 0 GIADLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000574550476 823762192 /nfs/dbraw/zinc/76/21/92/823762192.db2.gz WFEOBFGBIROWQK-XMSQKQJNSA-N 1 2 380.536 4.409 20 0 GIADLO C[C@@H]1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000126002577 823764068 /nfs/dbraw/zinc/76/40/68/823764068.db2.gz LDESNCIWQOVPID-PBHICJAKSA-N 1 2 377.410 4.043 20 0 GIADLO Brc1ccccc1C[N@H+](CCc1ccccn1)Cc1ccncc1 ZINC000574558513 823765393 /nfs/dbraw/zinc/76/53/93/823765393.db2.gz IHHFOQZLCXZPIE-UHFFFAOYSA-N 1 2 382.305 4.484 20 0 GIADLO Brc1ccccc1C[N@@H+](CCc1ccccn1)Cc1ccncc1 ZINC000574558513 823765394 /nfs/dbraw/zinc/76/53/94/823765394.db2.gz IHHFOQZLCXZPIE-UHFFFAOYSA-N 1 2 382.305 4.484 20 0 GIADLO C[C@@H]1CCN(C(=O)CCC(=O)c2csc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000126015312 823766694 /nfs/dbraw/zinc/76/66/94/823766694.db2.gz IHLCGDZUSLCQPX-CRAIPNDOSA-N 1 2 381.501 4.170 20 0 GIADLO C[C@@H]1CCN(C(=O)CCC(=O)c2csc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000126014832 823766846 /nfs/dbraw/zinc/76/68/46/823766846.db2.gz IHLCGDZUSLCQPX-QAPCUYQASA-N 1 2 381.501 4.170 20 0 GIADLO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126018527 823768029 /nfs/dbraw/zinc/76/80/29/823768029.db2.gz MSDIBAMIVAJKOL-WMZHIEFXSA-N 1 2 390.531 4.043 20 0 GIADLO C[C@H]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000126065893 823778896 /nfs/dbraw/zinc/77/88/96/823778896.db2.gz KIPVXGLOQOEORM-SUMWQHHRSA-N 1 2 386.908 4.383 20 0 GIADLO C[C@H]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000126065483 823779012 /nfs/dbraw/zinc/77/90/12/823779012.db2.gz KIPVXGLOQOEORM-GUYCJALGSA-N 1 2 386.908 4.383 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000126070328 823779841 /nfs/dbraw/zinc/77/98/41/823779841.db2.gz QAFXSVKTDQDXEM-UHFFFAOYSA-N 1 2 382.479 4.027 20 0 GIADLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000461983246 823782291 /nfs/dbraw/zinc/78/22/91/823782291.db2.gz IZFRFRRVTHNRND-QGZVFWFLSA-N 1 2 378.472 4.064 20 0 GIADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cn(C3CCCC3)nc2-c2ccccn2)n1 ZINC000574656854 823792615 /nfs/dbraw/zinc/79/26/15/823792615.db2.gz MVUXPLIMLBPBAK-LJQANCHMSA-N 1 2 378.480 4.089 20 0 GIADLO Cc1noc([C@H]2CCC[N@H+]2Cc2cn(C3CCCC3)nc2-c2ccccn2)n1 ZINC000574656854 823792620 /nfs/dbraw/zinc/79/26/20/823792620.db2.gz MVUXPLIMLBPBAK-LJQANCHMSA-N 1 2 378.480 4.089 20 0 GIADLO C[C@@H]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H](c2ccco2)C1 ZINC000462012355 823794377 /nfs/dbraw/zinc/79/43/77/823794377.db2.gz WJBJLKBWOZJSNC-YLJYHZDGSA-N 1 2 378.476 4.207 20 0 GIADLO c1[nH]c2ccccc2c1-c1noc([C@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000574675512 823797316 /nfs/dbraw/zinc/79/73/16/823797316.db2.gz DOYWVEYYEWYXDL-IBGZPJMESA-N 1 2 376.485 4.356 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c(OC)c1 ZINC000164355240 823797920 /nfs/dbraw/zinc/79/79/20/823797920.db2.gz BWCGGULQXIIYJJ-SFHVURJKSA-N 1 2 379.504 4.384 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000126154597 823801634 /nfs/dbraw/zinc/80/16/34/823801634.db2.gz URYVFEQQCHNZFE-RBUKOAKNSA-N 1 2 384.907 4.223 20 0 GIADLO Cc1sc2nc([C@H](C)[NH+]3CCC([C@@H](O)c4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000164407321 823801618 /nfs/dbraw/zinc/80/16/18/823801618.db2.gz VBEDNXUHXHZATG-LIRRHRJNSA-N 1 2 397.544 4.108 20 0 GIADLO OC[C@@]1(F)C[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1c1ccccc1 ZINC000574721442 823809077 /nfs/dbraw/zinc/80/90/77/823809077.db2.gz WKLWVHTWUGUBMR-RXVVDRJESA-N 1 2 386.854 4.295 20 0 GIADLO OC[C@@]1(F)C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1c1ccccc1 ZINC000574721442 823809078 /nfs/dbraw/zinc/80/90/78/823809078.db2.gz WKLWVHTWUGUBMR-RXVVDRJESA-N 1 2 386.854 4.295 20 0 GIADLO COc1cccc(C[N@@H+](Cc2nc(-c3ccc(C)cc3)no2)C[C@@H]2CCCO2)c1 ZINC000064400513 823812372 /nfs/dbraw/zinc/81/23/72/823812372.db2.gz HFRONBGQTIGSHE-NRFANRHFSA-N 1 2 393.487 4.235 20 0 GIADLO COc1cccc(C[N@H+](Cc2nc(-c3ccc(C)cc3)no2)C[C@@H]2CCCO2)c1 ZINC000064400513 823812376 /nfs/dbraw/zinc/81/23/76/823812376.db2.gz HFRONBGQTIGSHE-NRFANRHFSA-N 1 2 393.487 4.235 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cs1)c1ccc(C)cc1C ZINC000164814588 823821140 /nfs/dbraw/zinc/82/11/40/823821140.db2.gz NCLHXNLXJRWPJG-SFHVURJKSA-N 1 2 399.560 4.445 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cs1)c1ccc(C)cc1C ZINC000164814588 823821146 /nfs/dbraw/zinc/82/11/46/823821146.db2.gz NCLHXNLXJRWPJG-SFHVURJKSA-N 1 2 399.560 4.445 20 0 GIADLO C[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccc(Br)c1 ZINC000462081023 823822250 /nfs/dbraw/zinc/82/22/50/823822250.db2.gz PVLXOGIFHOGQRA-AWEZNQCLSA-N 1 2 384.277 4.055 20 0 GIADLO CC(C)N(C(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)C1CCCC1 ZINC000165161806 823837076 /nfs/dbraw/zinc/83/70/76/823837076.db2.gz QFNZDSORJFLRAF-HSZRJFAPSA-N 1 2 393.531 4.136 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](Cc3ccn(-c4cccc(F)c4)n3)CC2)cc1 ZINC000064557490 823843951 /nfs/dbraw/zinc/84/39/51/823843951.db2.gz MVLVXHMDSMPHSR-UHFFFAOYSA-N 1 2 377.463 4.415 20 0 GIADLO Cc1c2ccccc2[nH+]c(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C(=O)[O-] ZINC000574881782 823850124 /nfs/dbraw/zinc/85/01/24/823850124.db2.gz XQBWESDAMGBVJO-GOSISDBHSA-N 1 2 381.520 4.190 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C[C@H](C)O)C(C)C)cs1)c1cccc(Cl)c1 ZINC000165731330 823861369 /nfs/dbraw/zinc/86/13/69/823861369.db2.gz QYHHROPUUXRXHJ-ZDUSSCGKSA-N 1 2 381.929 4.072 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C[C@H](C)O)C(C)C)cs1)c1cccc(Cl)c1 ZINC000165731330 823861372 /nfs/dbraw/zinc/86/13/72/823861372.db2.gz QYHHROPUUXRXHJ-ZDUSSCGKSA-N 1 2 381.929 4.072 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)C[C@H]2CCCOC2)cs1)c1cccc(C)c1C ZINC000165745014 823861717 /nfs/dbraw/zinc/86/17/17/823861717.db2.gz JEIFXFYRURJAJF-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)C[C@H]2CCCOC2)cs1)c1cccc(C)c1C ZINC000165745014 823861724 /nfs/dbraw/zinc/86/17/24/823861724.db2.gz JEIFXFYRURJAJF-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO CC[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)CC(F)(F)F ZINC000413913184 823864582 /nfs/dbraw/zinc/86/45/82/823864582.db2.gz OZLOQPBQLLZJGO-QGTPRVQTSA-N 1 2 394.441 4.390 20 0 GIADLO CC[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)CC(F)(F)F ZINC000413913106 823864687 /nfs/dbraw/zinc/86/46/87/823864687.db2.gz OZLOQPBQLLZJGO-BMGDILEWSA-N 1 2 394.441 4.390 20 0 GIADLO COc1cc(C[NH2+]C2(C(F)F)CCCCC2)cc(OC)c1OCC(F)F ZINC000574939137 823865361 /nfs/dbraw/zinc/86/53/61/823865361.db2.gz CLQBKKACSKAQFJ-UHFFFAOYSA-N 1 2 379.394 4.405 20 0 GIADLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccc(F)c(F)c1 ZINC000462198295 823865748 /nfs/dbraw/zinc/86/57/48/823865748.db2.gz YLDHBKKUTMDELB-KBPBESRZSA-N 1 2 379.476 4.176 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](C)Cc2cccs2)CC1 ZINC000462200917 823867311 /nfs/dbraw/zinc/86/73/11/823867311.db2.gz IDBLJKIRGSKCFR-JKSUJKDBSA-N 1 2 377.579 4.077 20 0 GIADLO COC[C@@H]1CCC[N@@H+]1Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000166278935 823874114 /nfs/dbraw/zinc/87/41/14/823874114.db2.gz DSISMOMPWSQIQC-KRWDZBQOSA-N 1 2 379.913 4.092 20 0 GIADLO COC[C@@H]1CCC[N@H+]1Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000166278935 823874124 /nfs/dbraw/zinc/87/41/24/823874124.db2.gz DSISMOMPWSQIQC-KRWDZBQOSA-N 1 2 379.913 4.092 20 0 GIADLO COc1cccc(F)c1[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462221116 823879023 /nfs/dbraw/zinc/87/90/23/823879023.db2.gz IDJPJWCKRIRUAS-HUUCEWRRSA-N 1 2 391.512 4.045 20 0 GIADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000574986345 823879629 /nfs/dbraw/zinc/87/96/29/823879629.db2.gz DPJSPIZOPZAYCM-YCPHGPKFSA-N 1 2 394.544 4.467 20 0 GIADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000574986345 823879635 /nfs/dbraw/zinc/87/96/35/823879635.db2.gz DPJSPIZOPZAYCM-YCPHGPKFSA-N 1 2 394.544 4.467 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462232867 823886057 /nfs/dbraw/zinc/88/60/57/823886057.db2.gz MQQOHJXTLQPTGD-ZDUSSCGKSA-N 1 2 379.913 4.321 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000064803938 823888144 /nfs/dbraw/zinc/88/81/44/823888144.db2.gz SPAJDMVYNTVQRA-UHFFFAOYSA-N 1 2 381.863 4.213 20 0 GIADLO COC[C@@H]([NH2+][C@@H]1CCCn2nc(C(C)C)nc21)c1cccc(C(F)(F)F)c1 ZINC000167992778 823899789 /nfs/dbraw/zinc/89/97/89/823899789.db2.gz POHHVTHKVVLMEG-HZPDHXFCSA-N 1 2 382.430 4.233 20 0 GIADLO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1csc(-c2ccccc2)n1 ZINC000414067511 823900364 /nfs/dbraw/zinc/90/03/64/823900364.db2.gz ALASGDRQBGRRTD-GOSISDBHSA-N 1 2 385.577 4.496 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC000462254036 823900495 /nfs/dbraw/zinc/90/04/95/823900495.db2.gz IUEHHCWJSLSECD-QGZVFWFLSA-N 1 2 384.549 4.259 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)s1 ZINC000414075609 823902675 /nfs/dbraw/zinc/90/26/75/823902675.db2.gz PEQPKYYPVKYFBK-GJZGRUSLSA-N 1 2 397.500 4.316 20 0 GIADLO Cc1ccc(-c2nnco2)cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462273459 823909016 /nfs/dbraw/zinc/90/90/16/823909016.db2.gz QBPQCLKNEOCIJM-HNNXBMFYSA-N 1 2 397.504 4.017 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1c2ccccc2CCC[C@H]1C ZINC000462284811 823912208 /nfs/dbraw/zinc/91/22/08/823912208.db2.gz CTAKZYGWAJVGJB-OPAMFIHVSA-N 1 2 394.519 4.062 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1c2ccccc2CCC[C@H]1C ZINC000462284812 823912256 /nfs/dbraw/zinc/91/22/56/823912256.db2.gz CTAKZYGWAJVGJB-ZHRRBRCNSA-N 1 2 394.519 4.062 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC000414137560 823917795 /nfs/dbraw/zinc/91/77/95/823917795.db2.gz JRTROXMNUCZSKR-JTQLQIEISA-N 1 2 386.395 4.168 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000192258420 823919439 /nfs/dbraw/zinc/91/94/39/823919439.db2.gz KHMUNAVCUDKCAT-UHFFFAOYSA-N 1 2 396.560 4.359 20 0 GIADLO O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000126652023 823919809 /nfs/dbraw/zinc/91/98/09/823919809.db2.gz LSNVZIGVXQGTSN-CQSZACIVSA-N 1 2 390.468 4.486 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](Oc1ccc(Cl)cc1)C(C)C ZINC000462318772 823922758 /nfs/dbraw/zinc/92/27/58/823922758.db2.gz WZMUNKPRTLPFQK-HXUWFJFHSA-N 1 2 391.943 4.441 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c1C ZINC000064997636 823923297 /nfs/dbraw/zinc/92/32/97/823923297.db2.gz JMDZSLJPRAKQOS-GFCCVEGCSA-N 1 2 383.275 4.098 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2sc(-c3ccc(F)cc3)nc2C)c1C ZINC000064998083 823923314 /nfs/dbraw/zinc/92/33/14/823923314.db2.gz XQNPFWUPPGXXHC-UHFFFAOYSA-N 1 2 385.464 4.208 20 0 GIADLO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cn2nccc2-c2cccnc2)CC1 ZINC000170637917 823923630 /nfs/dbraw/zinc/92/36/30/823923630.db2.gz FZFJNWHJARXXCC-UHFFFAOYSA-N 1 2 380.879 4.151 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000192278762 823930124 /nfs/dbraw/zinc/93/01/24/823930124.db2.gz IXDWGSJWZVEDJF-OAQYLSRUSA-N 1 2 380.492 4.250 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2c(F)cc(F)cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000192286190 823933832 /nfs/dbraw/zinc/93/38/32/823933832.db2.gz YAXNBWQPFHAAAK-QMTHXVAHSA-N 1 2 399.239 4.039 20 0 GIADLO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414243059 823938288 /nfs/dbraw/zinc/93/82/88/823938288.db2.gz QOKOHUDBQNGGDD-KRWDZBQOSA-N 1 2 379.909 4.055 20 0 GIADLO Nc1c(Cl)cc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000192308722 823941828 /nfs/dbraw/zinc/94/18/28/823941828.db2.gz WTFZKIIONZAJRG-UHFFFAOYSA-N 1 2 376.247 4.083 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCc1cccc2ccccc21 ZINC000192308989 823942338 /nfs/dbraw/zinc/94/23/38/823942338.db2.gz YDTSRKLFRFNIGK-UHFFFAOYSA-N 1 2 378.520 4.263 20 0 GIADLO CO[C@@](C)(C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccccc1F ZINC000192330132 823947856 /nfs/dbraw/zinc/94/78/56/823947856.db2.gz WUTAHTIJSDJLFU-VBKZILBWSA-N 1 2 391.512 4.014 20 0 GIADLO CO[C@@](C)(C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccccc1F ZINC000192330132 823947864 /nfs/dbraw/zinc/94/78/64/823947864.db2.gz WUTAHTIJSDJLFU-VBKZILBWSA-N 1 2 391.512 4.014 20 0 GIADLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)cc(F)c3)c2C1 ZINC000462378379 823950193 /nfs/dbraw/zinc/95/01/93/823950193.db2.gz CXLXAHBXIOMYKC-CYBMUJFWSA-N 1 2 380.460 4.126 20 0 GIADLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)cc(F)c3)c2C1 ZINC000462378379 823950198 /nfs/dbraw/zinc/95/01/98/823950198.db2.gz CXLXAHBXIOMYKC-CYBMUJFWSA-N 1 2 380.460 4.126 20 0 GIADLO CCCCOc1ccc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1OCC ZINC000065164537 823955905 /nfs/dbraw/zinc/95/59/05/823955905.db2.gz LRFDIBLTRCJJIH-UHFFFAOYSA-N 1 2 386.492 4.215 20 0 GIADLO Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065173965 823956259 /nfs/dbraw/zinc/95/62/59/823956259.db2.gz GRDMZQGGXJIOEW-UHFFFAOYSA-N 1 2 392.528 4.045 20 0 GIADLO COc1cc(F)c(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1F ZINC000126835220 823962616 /nfs/dbraw/zinc/96/26/16/823962616.db2.gz BDCUYIRIGXQGFA-QUCCMNQESA-N 1 2 398.413 4.220 20 0 GIADLO CCc1ncc(C[NH2+][C@@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cn1 ZINC000414358274 823964522 /nfs/dbraw/zinc/96/45/22/823964522.db2.gz BFXAIWRJKLTVKZ-QFIPXVFZSA-N 1 2 381.451 4.075 20 0 GIADLO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](Cc1ccc(C)nn1)CC2 ZINC000414366395 823966214 /nfs/dbraw/zinc/96/62/14/823966214.db2.gz BPGYRLNJPXIQRQ-OAQYLSRUSA-N 1 2 381.501 4.011 20 0 GIADLO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](Cc1ccc(C)nn1)CC2 ZINC000414366395 823966219 /nfs/dbraw/zinc/96/62/19/823966219.db2.gz BPGYRLNJPXIQRQ-OAQYLSRUSA-N 1 2 381.501 4.011 20 0 GIADLO O=C(Cn1cc[nH+]c1)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC000462419384 823967901 /nfs/dbraw/zinc/96/79/01/823967901.db2.gz RQUCOVMYDBZWON-UHFFFAOYSA-N 1 2 390.212 4.216 20 0 GIADLO Cc1cc(C(=O)NC2CC[NH+](Cc3csc(Br)c3)CC2)c(C)o1 ZINC000170775625 823968093 /nfs/dbraw/zinc/96/80/93/823968093.db2.gz VCVBOHUQHGKDTA-UHFFFAOYSA-N 1 2 397.338 4.115 20 0 GIADLO FC(F)Oc1ccc(Cl)cc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000170778744 823969731 /nfs/dbraw/zinc/96/97/31/823969731.db2.gz ZBWZWPGDBSEEOD-UHFFFAOYSA-N 1 2 387.883 4.106 20 0 GIADLO FC(F)Oc1ccc(Cl)cc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000170778744 823969737 /nfs/dbraw/zinc/96/97/37/823969737.db2.gz ZBWZWPGDBSEEOD-UHFFFAOYSA-N 1 2 387.883 4.106 20 0 GIADLO CCN(Cc1occc1C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000414419724 823978764 /nfs/dbraw/zinc/97/87/64/823978764.db2.gz UVHJBJDVGZNFOP-CQSZACIVSA-N 1 2 376.526 4.330 20 0 GIADLO CCN(Cc1occc1C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000414419724 823978773 /nfs/dbraw/zinc/97/87/73/823978773.db2.gz UVHJBJDVGZNFOP-CQSZACIVSA-N 1 2 376.526 4.330 20 0 GIADLO Cc1cccc(COc2ccc([C@@H](C)NC(=O)N3CCn4c[nH+]cc4C3)cc2)c1 ZINC000575634258 823981153 /nfs/dbraw/zinc/98/11/53/823981153.db2.gz HCZKOOFVQVWNAK-GOSISDBHSA-N 1 2 390.487 4.057 20 0 GIADLO O=C(Nc1ccc(Cl)cc1-n1cccn1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000575738045 823984253 /nfs/dbraw/zinc/98/42/53/823984253.db2.gz VLXQUXRBHVYXCX-UHFFFAOYSA-N 1 2 377.835 4.023 20 0 GIADLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(Oc2ccccc2)cn1 ZINC000575754821 823986493 /nfs/dbraw/zinc/98/64/93/823986493.db2.gz BDNYDPCRVITBDC-KRWDZBQOSA-N 1 2 376.460 4.279 20 0 GIADLO Cc1ccnc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000575784256 823993991 /nfs/dbraw/zinc/99/39/91/823993991.db2.gz KDNYRDODRMEESK-JTSKRJEESA-N 1 2 380.513 4.234 20 0 GIADLO Cc1cccc2c1CC[N@H+](Cc1nnc(-c3ccccc3Br)o1)C2 ZINC000170922620 824005963 /nfs/dbraw/zinc/00/59/63/824005963.db2.gz WVFBWZKDHBLDLJ-UHFFFAOYSA-N 1 2 384.277 4.366 20 0 GIADLO Cc1cccc2c1CC[N@@H+](Cc1nnc(-c3ccccc3Br)o1)C2 ZINC000170922620 824005974 /nfs/dbraw/zinc/00/59/74/824005974.db2.gz WVFBWZKDHBLDLJ-UHFFFAOYSA-N 1 2 384.277 4.366 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1csnn1 ZINC000414548197 824008393 /nfs/dbraw/zinc/00/83/93/824008393.db2.gz JIGAJIWCNQCFNQ-PELKAZGASA-N 1 2 385.333 4.261 20 0 GIADLO C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000575866554 824016032 /nfs/dbraw/zinc/01/60/32/824016032.db2.gz YMSCBIAABKEFLJ-JOCHJYFZSA-N 1 2 393.466 4.095 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000575905962 824025554 /nfs/dbraw/zinc/02/55/54/824025554.db2.gz KDBITCOUMIOMFJ-IERDGZPVSA-N 1 2 378.451 4.304 20 0 GIADLO COc1ccc([C@H]([NH2+]Cc2nc(COc3ccc(F)cc3)no2)C2CC2)cc1 ZINC000192555738 824030478 /nfs/dbraw/zinc/03/04/78/824030478.db2.gz REIYMIRKIUIYEJ-OAQYLSRUSA-N 1 2 383.423 4.037 20 0 GIADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000575956769 824037202 /nfs/dbraw/zinc/03/72/02/824037202.db2.gz WXHMAGJNEUHTMF-WBVHZDCISA-N 1 2 384.842 4.251 20 0 GIADLO COC(=O)c1occc1C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000359993065 209210405 /nfs/dbraw/zinc/21/04/05/209210405.db2.gz JPIHFFFQRWXZQX-BLLLJJGKSA-N 1 2 384.259 4.240 20 0 GIADLO COc1cccc2cc([C@H](C)[NH2+]Cc3nnc4n3C[C@@H](C(F)(F)F)CC4)oc21 ZINC000359904986 209201176 /nfs/dbraw/zinc/20/11/76/209201176.db2.gz UNPTVPQDSTXHQV-AAEUAGOBSA-N 1 2 394.397 4.008 20 0 GIADLO Cc1ccc2nc(Cl)cc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165010726 721700710 /nfs/dbraw/zinc/70/07/10/721700710.db2.gz KZLFPUXUTMQLIM-UHFFFAOYSA-N 1 2 398.942 4.039 20 0 GIADLO Cc1ccc2nc(Cl)cc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165010726 721700712 /nfs/dbraw/zinc/70/07/12/721700712.db2.gz KZLFPUXUTMQLIM-UHFFFAOYSA-N 1 2 398.942 4.039 20 0 GIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCCC[C@H]4c4cccnc4)c3C2)cc1 ZINC001165045953 721962573 /nfs/dbraw/zinc/96/25/73/721962573.db2.gz FAVPJNWHPVBQGX-QHCPKHFHSA-N 1 2 385.515 4.162 20 0 GIADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCCC[C@H]4c4cccnc4)c3C2)cc1 ZINC001165045953 721962576 /nfs/dbraw/zinc/96/25/76/721962576.db2.gz FAVPJNWHPVBQGX-QHCPKHFHSA-N 1 2 385.515 4.162 20 0 GIADLO C[C@@H](NC(=O)N[C@@H](C)CCCc1cccnc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000458488071 823046803 /nfs/dbraw/zinc/04/68/03/823046803.db2.gz SUUZWBIHINCNBT-ZWKOTPCHSA-N 1 2 377.492 4.039 20 0 GIADLO O=C(c1csc(-c2ccccc2Cl)n1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120720299 823052222 /nfs/dbraw/zinc/05/22/22/823052222.db2.gz JVJFPTAZXQOLQL-CQSZACIVSA-N 1 2 385.876 4.152 20 0 GIADLO C[C@@H]1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000187419215 823060023 /nfs/dbraw/zinc/06/00/23/823060023.db2.gz CXHNCHXETWQVIW-PBHICJAKSA-N 1 2 392.906 4.246 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc2scnc2c1 ZINC000175873017 823060888 /nfs/dbraw/zinc/06/08/88/823060888.db2.gz CZNRUWKQGYWWSF-UHFFFAOYSA-N 1 2 395.532 4.462 20 0 GIADLO C[C@@H]1C[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C[C@H](c2ccsc2)O1 ZINC000120774822 823061325 /nfs/dbraw/zinc/06/13/25/823061325.db2.gz BSICGJHLKCEKGM-IIBYNOLFSA-N 1 2 396.512 4.233 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C[C@H](c2ccsc2)O1 ZINC000120774822 823061330 /nfs/dbraw/zinc/06/13/30/823061330.db2.gz BSICGJHLKCEKGM-IIBYNOLFSA-N 1 2 396.512 4.233 20 0 GIADLO Cc1c(COc2ccccc2)cccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000120789558 823064456 /nfs/dbraw/zinc/06/44/56/823064456.db2.gz GOAHNMNLXADVIJ-HXUWFJFHSA-N 1 2 390.487 4.467 20 0 GIADLO C[C@H]1CN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC2(CCC2)O1 ZINC000570630586 823064574 /nfs/dbraw/zinc/06/45/74/823064574.db2.gz CZMRNVDOQNCZGA-INIZCTEOSA-N 1 2 380.492 4.062 20 0 GIADLO Cn1cc(NC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c(C2CC2)n1 ZINC000570712177 823074744 /nfs/dbraw/zinc/07/47/44/823074744.db2.gz KXFNWJFERBJYOS-UHFFFAOYSA-N 1 2 376.464 4.141 20 0 GIADLO COc1ccc2c(c1)oc(C(=O)N[C@H](C)Cn1cc[nH+]c1)c2-c1ccccc1 ZINC000055996450 823076481 /nfs/dbraw/zinc/07/64/81/823076481.db2.gz BDNCVMUQVYZXBA-OAHLLOKOSA-N 1 2 375.428 4.123 20 0 GIADLO CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000055996975 823076488 /nfs/dbraw/zinc/07/64/88/823076488.db2.gz JNLVLZJIQPFNTG-UHFFFAOYSA-N 1 2 392.434 4.236 20 0 GIADLO C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCC[C@@H](Cc5[nH+]ccn5C)C4)cc3c2C1 ZINC000120856636 823077854 /nfs/dbraw/zinc/07/78/54/823077854.db2.gz AWQRIKFTXIUZSR-SJORKVTESA-N 1 2 390.531 4.121 20 0 GIADLO CCc1cccc(CC)c1NC(=O)Cc1noc([C@H](c2ccccc2)[NH+](C)C)n1 ZINC000570759355 823082100 /nfs/dbraw/zinc/08/21/00/823082100.db2.gz KAWKJRXVFIJNCI-QFIPXVFZSA-N 1 2 392.503 4.027 20 0 GIADLO O=C(NCc1coc(-c2cccs2)n1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000175959466 823082562 /nfs/dbraw/zinc/08/25/62/823082562.db2.gz PVZSOKBTHTUAIG-GOSISDBHSA-N 1 2 399.491 4.213 20 0 GIADLO O=C(NCc1coc(-c2cccs2)n1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000175959466 823082568 /nfs/dbraw/zinc/08/25/68/823082568.db2.gz PVZSOKBTHTUAIG-GOSISDBHSA-N 1 2 399.491 4.213 20 0 GIADLO O=C(CCOc1ccccc1-c1ccccc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120919127 823086651 /nfs/dbraw/zinc/08/66/51/823086651.db2.gz UZNPBTPSUCZICA-OAQYLSRUSA-N 1 2 388.467 4.197 20 0 GIADLO Cc1cc(CC(C)(C)C(=O)NCCCCn2cc[nH+]c2)ccc1Br ZINC000570787665 823087449 /nfs/dbraw/zinc/08/74/49/823087449.db2.gz RBDUXEINOYBYDN-UHFFFAOYSA-N 1 2 392.341 4.119 20 0 GIADLO O=C(NC1CC1)[C@@H]([NH2+]Cc1cccnc1Oc1cccc(F)c1)c1ccccc1 ZINC000056144436 823087757 /nfs/dbraw/zinc/08/77/57/823087757.db2.gz QVEXYRZRYBRABZ-NRFANRHFSA-N 1 2 391.446 4.123 20 0 GIADLO CCC(=O)Nc1cccc(-c2noc([C@H](c3ccc(Cl)cc3)[NH+](C)C)n2)c1 ZINC000570816454 823090864 /nfs/dbraw/zinc/09/08/64/823090864.db2.gz POSOJTLSWSTJSF-SFHVURJKSA-N 1 2 384.867 4.390 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC(CCc2ccccc2)CC1 ZINC000120955695 823092647 /nfs/dbraw/zinc/09/26/47/823092647.db2.gz YPOFTQUERSIBAG-UHFFFAOYSA-N 1 2 392.547 4.105 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N(Cc3cccs3)C3CC3)CC2)cc1 ZINC000176002633 823092831 /nfs/dbraw/zinc/09/28/31/823092831.db2.gz MSSUBLLDDMBBOC-UHFFFAOYSA-N 1 2 398.576 4.157 20 0 GIADLO C[C@@H](c1cccs1)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176006850 823094160 /nfs/dbraw/zinc/09/41/60/823094160.db2.gz GAKASSLYWGAPJY-INIZCTEOSA-N 1 2 386.565 4.186 20 0 GIADLO CC[C@@]1(CO)CCC[N@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000187604823 823096684 /nfs/dbraw/zinc/09/66/84/823096684.db2.gz OXTRMPBXKFNWKV-LJQANCHMSA-N 1 2 380.941 4.360 20 0 GIADLO CC[C@@]1(CO)CCC[N@@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000187604823 823096690 /nfs/dbraw/zinc/09/66/90/823096690.db2.gz OXTRMPBXKFNWKV-LJQANCHMSA-N 1 2 380.941 4.360 20 0 GIADLO O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000458855302 823098143 /nfs/dbraw/zinc/09/81/43/823098143.db2.gz ZBHZTYKSACAOCL-HOTGVXAUSA-N 1 2 380.414 4.035 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2ccc(OCC3CC3)nc2)no1)c1ccc(Cl)cc1 ZINC000570866123 823098755 /nfs/dbraw/zinc/09/87/55/823098755.db2.gz JUZZCQAZOBGDNQ-GOSISDBHSA-N 1 2 384.867 4.225 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000120993011 823098912 /nfs/dbraw/zinc/09/89/12/823098912.db2.gz WSDVPYWGYAUHQB-ZDUSSCGKSA-N 1 2 381.492 4.162 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000120993011 823098918 /nfs/dbraw/zinc/09/89/18/823098918.db2.gz WSDVPYWGYAUHQB-ZDUSSCGKSA-N 1 2 381.492 4.162 20 0 GIADLO CCCOc1c(Br)cc(C[N@H+]2CC=C(COC)CC2)cc1OC ZINC000187619530 823099029 /nfs/dbraw/zinc/09/90/29/823099029.db2.gz GQZOAYZQFUNAGF-UHFFFAOYSA-N 1 2 384.314 4.025 20 0 GIADLO CCCOc1c(Br)cc(C[N@@H+]2CC=C(COC)CC2)cc1OC ZINC000187619530 823099036 /nfs/dbraw/zinc/09/90/36/823099036.db2.gz GQZOAYZQFUNAGF-UHFFFAOYSA-N 1 2 384.314 4.025 20 0 GIADLO COc1ccccc1CN(C)C(=O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121008080 823101997 /nfs/dbraw/zinc/10/19/97/823101997.db2.gz TYTBARQZPXUZME-MRXNPFEDSA-N 1 2 389.565 4.235 20 0 GIADLO COc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121008080 823102000 /nfs/dbraw/zinc/10/20/00/823102000.db2.gz TYTBARQZPXUZME-MRXNPFEDSA-N 1 2 389.565 4.235 20 0 GIADLO CSCC1CCC(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000458930753 823108003 /nfs/dbraw/zinc/10/80/03/823108003.db2.gz MIVCYXSRADNVHW-UHFFFAOYSA-N 1 2 378.586 4.007 20 0 GIADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000458993388 823114060 /nfs/dbraw/zinc/11/40/60/823114060.db2.gz DPKYYESTBJBVKQ-MAUKXSAKSA-N 1 2 390.890 4.253 20 0 GIADLO CCCn1c(C)nnc1C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000187702619 823116254 /nfs/dbraw/zinc/11/62/54/823116254.db2.gz MGPSYPXVVVLCSG-FQEVSTJZSA-N 1 2 392.482 4.016 20 0 GIADLO Cc1c([C@H](C)[NH2+]Cc2cc(C(N)=O)co2)cnn1-c1ccc(Cl)cc1Cl ZINC000187707068 823117266 /nfs/dbraw/zinc/11/72/66/823117266.db2.gz FZWOSGWSGHAOOG-JTQLQIEISA-N 1 2 393.274 4.030 20 0 GIADLO COC(=O)COc1ccc(C[N@H+](C)Cc2csc(-c3cccs3)n2)cc1 ZINC000187733270 823121672 /nfs/dbraw/zinc/12/16/72/823121672.db2.gz KGEYDYBQUPFOSD-UHFFFAOYSA-N 1 2 388.514 4.055 20 0 GIADLO COC(=O)COc1ccc(C[N@@H+](C)Cc2csc(-c3cccs3)n2)cc1 ZINC000187733270 823121676 /nfs/dbraw/zinc/12/16/76/823121676.db2.gz KGEYDYBQUPFOSD-UHFFFAOYSA-N 1 2 388.514 4.055 20 0 GIADLO CC(C)(C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000121121593 823122202 /nfs/dbraw/zinc/12/22/02/823122202.db2.gz OPPPEWDZHOZQJE-QGZVFWFLSA-N 1 2 378.394 4.058 20 0 GIADLO Cn1ccnc1[C@H]([NH2+]Cc1cc(Br)ccc1Br)C1CC1 ZINC000187785863 823132545 /nfs/dbraw/zinc/13/25/45/823132545.db2.gz STZXRONKNLMUNC-CQSZACIVSA-N 1 2 399.130 4.186 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)[C@@H]2CCSC2)cs1)c1ccc(C)cc1C ZINC000121179094 823133186 /nfs/dbraw/zinc/13/31/86/823133186.db2.gz WPOLDQKXHQCWPS-QGZVFWFLSA-N 1 2 375.563 4.382 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)[C@@H]2CCSC2)cs1)c1ccc(C)cc1C ZINC000121179094 823133190 /nfs/dbraw/zinc/13/31/90/823133190.db2.gz WPOLDQKXHQCWPS-QGZVFWFLSA-N 1 2 375.563 4.382 20 0 GIADLO COCc1cccc(CNC(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121183678 823133996 /nfs/dbraw/zinc/13/39/96/823133996.db2.gz LXKPSAYKLBFESO-INIZCTEOSA-N 1 2 389.565 4.031 20 0 GIADLO COCc1cccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121183678 823133999 /nfs/dbraw/zinc/13/39/99/823133999.db2.gz LXKPSAYKLBFESO-INIZCTEOSA-N 1 2 389.565 4.031 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000121202218 823137597 /nfs/dbraw/zinc/13/75/97/823137597.db2.gz LAUKZFWEFITNLO-UHFFFAOYSA-N 1 2 375.432 4.245 20 0 GIADLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cn3ccc(Br)cc3n2)s1 ZINC000571131940 823138190 /nfs/dbraw/zinc/13/81/90/823138190.db2.gz PIEPJSLBOGWMDD-NSHDSACASA-N 1 2 379.327 4.363 20 0 GIADLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cn3ccc(Br)cc3n2)s1 ZINC000571131940 823138192 /nfs/dbraw/zinc/13/81/92/823138192.db2.gz PIEPJSLBOGWMDD-NSHDSACASA-N 1 2 379.327 4.363 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1[nH]c2ccc(F)cc2c1Cl ZINC000056404395 823144551 /nfs/dbraw/zinc/14/45/51/823144551.db2.gz MRQIATRGDWUIMG-UHFFFAOYSA-N 1 2 396.853 4.178 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccc(Br)c1Cl ZINC000571180047 823144755 /nfs/dbraw/zinc/14/47/55/823144755.db2.gz OCULFRLHWDIXLJ-UHFFFAOYSA-N 1 2 379.645 4.072 20 0 GIADLO Cc1ccc(-c2nc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)cs2)c(C)c1 ZINC000121242581 823146093 /nfs/dbraw/zinc/14/60/93/823146093.db2.gz NFXNVOAOPCZHRL-KRWDZBQOSA-N 1 2 379.485 4.115 20 0 GIADLO CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000187857627 823147661 /nfs/dbraw/zinc/14/76/61/823147661.db2.gz GVWGSAIZFRFLEQ-UHFFFAOYSA-N 1 2 387.487 4.144 20 0 GIADLO COc1cccc(COc2cccc(NC(=O)C[C@@H](C)n3cc[nH+]c3)c2C)c1 ZINC000571214428 823149748 /nfs/dbraw/zinc/14/97/48/823149748.db2.gz KDYYPJWUGYUESZ-MRXNPFEDSA-N 1 2 379.460 4.369 20 0 GIADLO S=c1n(C[NH+]2C[C@@H]3CCCC[C@H]3C2)nc(-c2ccncc2)n1Cc1ccco1 ZINC000176196041 823149867 /nfs/dbraw/zinc/14/98/67/823149867.db2.gz HUUHCORLVPOIEQ-ROUUACIJSA-N 1 2 395.532 4.197 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000459240044 823150046 /nfs/dbraw/zinc/15/00/46/823150046.db2.gz VFQCHKKIBXSIFU-PZJWPPBQSA-N 1 2 396.510 4.025 20 0 GIADLO S=c1n(C[NH+]2C[C@H]3CCCC[C@@H]3C2)nc(-c2cccnc2)n1Cc1ccco1 ZINC000176197737 823150355 /nfs/dbraw/zinc/15/03/55/823150355.db2.gz NLPDQXCGGTWGJE-QZTJIDSGSA-N 1 2 395.532 4.197 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC2CCC(C(F)F)CC2)C[C@H](C)O1 ZINC000459266548 823154002 /nfs/dbraw/zinc/15/40/02/823154002.db2.gz WPZOEZBEFWONQH-WMTDPASSSA-N 1 2 395.494 4.241 20 0 GIADLO c1cc([C@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)[nH]n1 ZINC000121283146 823154574 /nfs/dbraw/zinc/15/45/74/823154574.db2.gz MARFIIBBOVFWCP-IBGZPJMESA-N 1 2 384.487 4.037 20 0 GIADLO c1cc([C@H]2CCC[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)[nH]n1 ZINC000121283146 823154578 /nfs/dbraw/zinc/15/45/78/823154578.db2.gz MARFIIBBOVFWCP-IBGZPJMESA-N 1 2 384.487 4.037 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)cc(Cl)c1O ZINC000459296505 823158045 /nfs/dbraw/zinc/15/80/45/823158045.db2.gz QOFZIZRUOAKMBE-UHFFFAOYSA-N 1 2 376.884 4.132 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)cc(Cl)c1O ZINC000459296505 823158047 /nfs/dbraw/zinc/15/80/47/823158047.db2.gz QOFZIZRUOAKMBE-UHFFFAOYSA-N 1 2 376.884 4.132 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2ccc(-c3nnco3)cc2)no1)c1cccc(Cl)c1 ZINC000571293318 823161429 /nfs/dbraw/zinc/16/14/29/823161429.db2.gz NLILRDGFKCZQGX-MRXNPFEDSA-N 1 2 381.823 4.091 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CCC(c2ccncc2)CC1 ZINC000571279860 823160065 /nfs/dbraw/zinc/16/00/65/823160065.db2.gz JVXDSWUMVARLAL-UHFFFAOYSA-N 1 2 395.894 4.010 20 0 GIADLO CCCc1csc(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)n1 ZINC000571327729 823165835 /nfs/dbraw/zinc/16/58/35/823165835.db2.gz DFLBYUFUXNQQFP-IBGZPJMESA-N 1 2 385.577 4.199 20 0 GIADLO CCCc1csc(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)n1 ZINC000571327729 823165839 /nfs/dbraw/zinc/16/58/39/823165839.db2.gz DFLBYUFUXNQQFP-IBGZPJMESA-N 1 2 385.577 4.199 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000056566299 823171215 /nfs/dbraw/zinc/17/12/15/823171215.db2.gz ICGFGOCTUGNXPP-UHFFFAOYSA-N 1 2 389.912 4.186 20 0 GIADLO O[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000188035012 823174796 /nfs/dbraw/zinc/17/47/96/823174796.db2.gz OCUDDPFTZFACSL-DLBZAZTESA-N 1 2 380.250 4.268 20 0 GIADLO O=C(Nc1cccc(C[NH2+]Cc2cccc(O)c2Br)c1)C1CCC1 ZINC000459370386 823174868 /nfs/dbraw/zinc/17/48/68/823174868.db2.gz AFMTWBBFKRCFJX-UHFFFAOYSA-N 1 2 389.293 4.183 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)n1 ZINC000459398854 823183511 /nfs/dbraw/zinc/18/35/11/823183511.db2.gz UTERIWCYRZFINK-AWEZNQCLSA-N 1 2 385.386 4.142 20 0 GIADLO CCN(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccc(OC)cc1 ZINC000459384907 823179569 /nfs/dbraw/zinc/17/95/69/823179569.db2.gz IURSHGQESYEMAE-QGZVFWFLSA-N 1 2 383.492 4.147 20 0 GIADLO CC[C@@H](C)Oc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000056622055 823183399 /nfs/dbraw/zinc/18/33/99/823183399.db2.gz DEGMLYSCKFEATE-QGZVFWFLSA-N 1 2 378.476 4.430 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@H](c2ccco2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000121428484 823182640 /nfs/dbraw/zinc/18/26/40/823182640.db2.gz AQJKEFQJGLHUEW-SIKLNZKXSA-N 1 2 396.512 4.010 20 0 GIADLO O=C(CC[N@H+]1CCO[C@H](c2ccco2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000121428484 823182643 /nfs/dbraw/zinc/18/26/43/823182643.db2.gz AQJKEFQJGLHUEW-SIKLNZKXSA-N 1 2 396.512 4.010 20 0 GIADLO Oc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1Br ZINC000459401858 823184877 /nfs/dbraw/zinc/18/48/77/823184877.db2.gz YNURDNXGBDOAHY-AEFFLSMTSA-N 1 2 380.257 4.304 20 0 GIADLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)CCC1(F)F ZINC000571452386 823185053 /nfs/dbraw/zinc/18/50/53/823185053.db2.gz VIAPEEMMEBQXRO-OAHLLOKOSA-N 1 2 390.478 4.085 20 0 GIADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)CCC1(F)F ZINC000571452386 823185054 /nfs/dbraw/zinc/18/50/54/823185054.db2.gz VIAPEEMMEBQXRO-OAHLLOKOSA-N 1 2 390.478 4.085 20 0 GIADLO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2O1 ZINC000188104426 823186999 /nfs/dbraw/zinc/18/69/99/823186999.db2.gz IKWVXSYNXQGVEV-RDJZCZTQSA-N 1 2 384.480 4.286 20 0 GIADLO O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000571473539 823188110 /nfs/dbraw/zinc/18/81/10/823188110.db2.gz QEHGPFASTYFHFP-NRFANRHFSA-N 1 2 389.503 4.050 20 0 GIADLO CCOC(=O)c1noc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000459434269 823191538 /nfs/dbraw/zinc/19/15/38/823191538.db2.gz HQOGEVFPKIGYNR-OAHLLOKOSA-N 1 2 397.397 4.382 20 0 GIADLO CCOC(=O)c1noc(C[N@H+]2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000459434269 823191543 /nfs/dbraw/zinc/19/15/43/823191543.db2.gz HQOGEVFPKIGYNR-OAHLLOKOSA-N 1 2 397.397 4.382 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc(Cl)c1-n1cccn1 ZINC000056664614 823192470 /nfs/dbraw/zinc/19/24/70/823192470.db2.gz UFILKZDTYHMQDW-UHFFFAOYSA-N 1 2 392.850 4.033 20 0 GIADLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CC[C@@H](COC(F)F)C1 ZINC000571527240 823195898 /nfs/dbraw/zinc/19/58/98/823195898.db2.gz AWQDDQDDROLOLB-CQSZACIVSA-N 1 2 378.419 4.094 20 0 GIADLO C[C@H](CNC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)Cn1cc[nH+]c1 ZINC000176382484 823195056 /nfs/dbraw/zinc/19/50/56/823195056.db2.gz JQTVAQSNCIOPEN-CYBMUJFWSA-N 1 2 391.443 4.279 20 0 GIADLO COc1cc(F)ccc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000121500204 823195095 /nfs/dbraw/zinc/19/50/95/823195095.db2.gz BNRFYPWWDDCFNV-AZUAARDMSA-N 1 2 380.423 4.081 20 0 GIADLO C[C@@H](CNC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)Cn1cc[nH+]c1 ZINC000176389474 823196630 /nfs/dbraw/zinc/19/66/30/823196630.db2.gz WNDSEJRSPIKIQZ-LBPRGKRZSA-N 1 2 394.422 4.092 20 0 GIADLO O[C@@H](C[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccccc1)c1cccs1 ZINC000176393649 823197399 /nfs/dbraw/zinc/19/73/99/823197399.db2.gz LISXPZODEPZIPT-INIZCTEOSA-N 1 2 395.450 4.243 20 0 GIADLO O[C@@H](C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccccc1)c1cccs1 ZINC000176393649 823197404 /nfs/dbraw/zinc/19/74/04/823197404.db2.gz LISXPZODEPZIPT-INIZCTEOSA-N 1 2 395.450 4.243 20 0 GIADLO COc1ccc([C@H](C)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c(C)c1OC ZINC000571541116 823197912 /nfs/dbraw/zinc/19/79/12/823197912.db2.gz BMSQSEHBQHBYIS-ZOBUZTSGSA-N 1 2 385.508 4.194 20 0 GIADLO Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)cc[nH+]1 ZINC000121538974 823202003 /nfs/dbraw/zinc/20/20/03/823202003.db2.gz DYACUTKNBRPTSV-UHFFFAOYSA-N 1 2 395.484 4.060 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)c2)oc1C ZINC000056731726 823202190 /nfs/dbraw/zinc/20/21/90/823202190.db2.gz DOJCWCIZZYTXDE-UHFFFAOYSA-N 1 2 391.475 4.144 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc(N2CCCCC2)c1 ZINC000056742576 823205026 /nfs/dbraw/zinc/20/50/26/823205026.db2.gz MGFOCVRUHBWVPP-UHFFFAOYSA-N 1 2 375.476 4.184 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000056745415 823205251 /nfs/dbraw/zinc/20/52/51/823205251.db2.gz PBMSIRSKHSLVGC-UHFFFAOYSA-N 1 2 376.888 4.460 20 0 GIADLO C[C@H]1CCN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000188224483 823206250 /nfs/dbraw/zinc/20/62/50/823206250.db2.gz YMGKWXMYQVNCMJ-YOEHRIQHSA-N 1 2 395.425 4.169 20 0 GIADLO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000459513208 823208373 /nfs/dbraw/zinc/20/83/73/823208373.db2.gz RHRRTWRNQBZBFC-FGZHOGPDSA-N 1 2 379.500 4.241 20 0 GIADLO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000459513208 823208378 /nfs/dbraw/zinc/20/83/78/823208378.db2.gz RHRRTWRNQBZBFC-FGZHOGPDSA-N 1 2 379.500 4.241 20 0 GIADLO Cc1ccc(-c2nnc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCC3)o2)cc1 ZINC000459522457 823210309 /nfs/dbraw/zinc/21/03/09/823210309.db2.gz GHWMAIMUKQAOOT-OAQYLSRUSA-N 1 2 377.488 4.429 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056832218 823220257 /nfs/dbraw/zinc/22/02/57/823220257.db2.gz RZUTTWNVCXIEOA-OAQYLSRUSA-N 1 2 392.478 4.160 20 0 GIADLO Cc1cccc([C@H]2CCCN2C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000056832168 823220285 /nfs/dbraw/zinc/22/02/85/823220285.db2.gz VSCIXESSEVRQDM-JOCHJYFZSA-N 1 2 388.515 4.329 20 0 GIADLO Clc1cccc([C@@H](Cc2cccnc2)Nc2ccc(N3CCOCC3)c[nH+]2)c1 ZINC000571712286 823223017 /nfs/dbraw/zinc/22/30/17/823223017.db2.gz UUGLPTAPEMCBLS-OAQYLSRUSA-N 1 2 394.906 4.363 20 0 GIADLO O=S(=O)(Nc1c[nH+]ccc1N1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000571697828 823220853 /nfs/dbraw/zinc/22/08/53/823220853.db2.gz WGIBQJWYKHPTED-UHFFFAOYSA-N 1 2 379.485 4.150 20 0 GIADLO Cc1ccccc1Nc1nc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cs1 ZINC000121649754 823222509 /nfs/dbraw/zinc/22/25/09/823222509.db2.gz KAXDIDNRQDNNCM-UHFFFAOYSA-N 1 2 384.549 4.030 20 0 GIADLO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc(Br)c1O ZINC000459552119 823218974 /nfs/dbraw/zinc/21/89/74/823218974.db2.gz REJHPYAUFFJYSW-OAHLLOKOSA-N 1 2 394.313 4.230 20 0 GIADLO CCOc1cc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc(Br)c1O ZINC000459552119 823218976 /nfs/dbraw/zinc/21/89/76/823218976.db2.gz REJHPYAUFFJYSW-OAHLLOKOSA-N 1 2 394.313 4.230 20 0 GIADLO Cc1ccc(C)c(-n2cnc3cc(C(=O)N4CCC(c5[nH]cc[nH+]5)CC4)ccc32)c1 ZINC000409471338 823228304 /nfs/dbraw/zinc/22/83/04/823228304.db2.gz WIWQQXTYNUNXPS-UHFFFAOYSA-N 1 2 399.498 4.385 20 0 GIADLO CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H](C)c1cccc(OC)c1 ZINC000056895691 823229173 /nfs/dbraw/zinc/22/91/73/823229173.db2.gz GTIOHDAXWTYZAM-QGZVFWFLSA-N 1 2 378.476 4.174 20 0 GIADLO O=C(c1cc(Cl)cc2cccnc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000409474423 823229205 /nfs/dbraw/zinc/22/92/05/823229205.db2.gz AGOWCYHMHWEZFQ-VMPITWQZSA-N 1 2 391.902 4.359 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N(Cc1ccco1)Cc1ccccc1 ZINC000056894420 823229312 /nfs/dbraw/zinc/22/93/12/823229312.db2.gz AVCSKAAMZJVXHO-UHFFFAOYSA-N 1 2 386.455 4.377 20 0 GIADLO Cn1c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)cc2nc1C(F)F ZINC000409486547 823232411 /nfs/dbraw/zinc/23/24/11/823232411.db2.gz PRMZGVLSXCJTNC-UHFFFAOYSA-N 1 2 385.349 4.088 20 0 GIADLO Cc1ccc(CNC(=O)N(C)CCCn2cc[nH+]c2)c(Oc2ccccc2)c1 ZINC000121704461 823234107 /nfs/dbraw/zinc/23/41/07/823234107.db2.gz IINCLFDEDDBNOO-UHFFFAOYSA-N 1 2 378.476 4.216 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409511764 823237559 /nfs/dbraw/zinc/23/75/59/823237559.db2.gz GRVZAFRIOWCMFR-UZLBHIALSA-N 1 2 399.853 4.059 20 0 GIADLO C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)c1nc2c(s1)CCC2 ZINC000459651234 823239259 /nfs/dbraw/zinc/23/92/59/823239259.db2.gz OZVNKLAKBLRVIR-SNVBAGLBSA-N 1 2 380.439 4.388 20 0 GIADLO Clc1cc(Br)ccc1[C@@H]([NH2+]Cc1nnc2ccccn21)C1CC1 ZINC000188441195 823241499 /nfs/dbraw/zinc/24/14/99/823241499.db2.gz WOBYIMNMCKBARA-KRWDZBQOSA-N 1 2 391.700 4.386 20 0 GIADLO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cn3cc(-c4ccccc4)oc3=S)CC2)C1 ZINC000057086518 823248475 /nfs/dbraw/zinc/24/84/75/823248475.db2.gz FROJAJRNIUMEBF-QGZVFWFLSA-N 1 2 399.560 4.406 20 0 GIADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)o1 ZINC000459704102 823253894 /nfs/dbraw/zinc/25/38/94/823253894.db2.gz LZYKBISZWCFGCX-UHFFFAOYSA-N 1 2 390.491 4.146 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cccc(Br)c1 ZINC000409585091 823255013 /nfs/dbraw/zinc/25/50/13/823255013.db2.gz MBNCLEKKCFHGJA-UHFFFAOYSA-N 1 2 389.228 4.096 20 0 GIADLO Brc1cccc2c1OCC[C@@H]2Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000409635452 823268701 /nfs/dbraw/zinc/26/87/01/823268701.db2.gz LEZWDMJUPYQPTA-HNNXBMFYSA-N 1 2 389.297 4.165 20 0 GIADLO Brc1cccc2c1OCC[C@@H]2Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000409635452 823268707 /nfs/dbraw/zinc/26/87/07/823268707.db2.gz LEZWDMJUPYQPTA-HNNXBMFYSA-N 1 2 389.297 4.165 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000003571036 817487514 /nfs/dbraw/zinc/48/75/14/817487514.db2.gz HQKPMOJXXKFBEG-GFCCVEGCSA-N 1 2 397.302 4.470 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000003571036 817487520 /nfs/dbraw/zinc/48/75/20/817487520.db2.gz HQKPMOJXXKFBEG-GFCCVEGCSA-N 1 2 397.302 4.470 20 0 GIADLO C[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@@H](C)C1CCCCC1 ZINC000176687093 823268145 /nfs/dbraw/zinc/26/81/45/823268145.db2.gz MDRYDHHOVUCPJV-MSOLQXFVSA-N 1 2 396.535 4.247 20 0 GIADLO COc1ccccc1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000004966406 817544257 /nfs/dbraw/zinc/54/42/57/817544257.db2.gz JTAWSMSBYRIQHD-UHFFFAOYSA-N 1 2 381.501 4.123 20 0 GIADLO O=C(/C=C/c1ccc2ccccc2n1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000121920053 823277071 /nfs/dbraw/zinc/27/70/71/823277071.db2.gz LOMTZPNCXDNQQA-ZHACJKMWSA-N 1 2 378.501 4.329 20 0 GIADLO O=C(Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000460027229 823280706 /nfs/dbraw/zinc/28/07/06/823280706.db2.gz LGTKKUQGTIQXAG-MRXNPFEDSA-N 1 2 399.705 4.486 20 0 GIADLO O=C(Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000460027229 823280711 /nfs/dbraw/zinc/28/07/11/823280711.db2.gz LGTKKUQGTIQXAG-MRXNPFEDSA-N 1 2 399.705 4.486 20 0 GIADLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409707973 823287600 /nfs/dbraw/zinc/28/76/00/823287600.db2.gz VQUOKJPVXXQHRZ-CVEARBPZSA-N 1 2 391.437 4.109 20 0 GIADLO COc1cccc(C[N@H+](C)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)c1 ZINC000007285673 817810634 /nfs/dbraw/zinc/81/06/34/817810634.db2.gz FLTRXVZCJMXLPF-UHFFFAOYSA-N 1 2 391.496 4.292 20 0 GIADLO COc1cccc(C[N@@H+](C)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)c1 ZINC000007285673 817810642 /nfs/dbraw/zinc/81/06/42/817810642.db2.gz FLTRXVZCJMXLPF-UHFFFAOYSA-N 1 2 391.496 4.292 20 0 GIADLO Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000007359949 817823791 /nfs/dbraw/zinc/82/37/91/817823791.db2.gz FNSIKISBXPHIBD-LJQANCHMSA-N 1 2 379.529 4.101 20 0 GIADLO Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000007359949 817823796 /nfs/dbraw/zinc/82/37/96/817823796.db2.gz FNSIKISBXPHIBD-LJQANCHMSA-N 1 2 379.529 4.101 20 0 GIADLO COc1cc(Cl)c(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C ZINC000572160031 823292017 /nfs/dbraw/zinc/29/20/17/823292017.db2.gz NQEHBUBTQALGNM-UHFFFAOYSA-N 1 2 388.830 4.304 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2cccc3ccccc32)cc1F ZINC000007583551 817874233 /nfs/dbraw/zinc/87/42/33/817874233.db2.gz PFFUGMACANBLRR-INIZCTEOSA-N 1 2 380.463 4.297 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2cccc3ccccc32)cc1F ZINC000007583551 817874242 /nfs/dbraw/zinc/87/42/42/817874242.db2.gz PFFUGMACANBLRR-INIZCTEOSA-N 1 2 380.463 4.297 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000572175127 823295036 /nfs/dbraw/zinc/29/50/36/823295036.db2.gz ZWGHLRHRVRLVNZ-RHSMWYFYSA-N 1 2 396.457 4.247 20 0 GIADLO CCCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1[C@@H](CC)[NH+](C)C ZINC000122024836 823295050 /nfs/dbraw/zinc/29/50/50/823295050.db2.gz NSFIAEMVLHEQQW-UONOGXRCSA-N 1 2 380.562 4.451 20 0 GIADLO Cc1ccccc1CCNC(=O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000007688644 817896045 /nfs/dbraw/zinc/89/60/45/817896045.db2.gz IBLYGTIUUFGXOL-UHFFFAOYSA-N 1 2 384.570 4.479 20 0 GIADLO C[C@@H](c1cccc(NC(=O)[C@@H]2CCSc3ccccc32)c1)[NH+]1CCOCC1 ZINC000460166262 823303239 /nfs/dbraw/zinc/30/32/39/823303239.db2.gz DUTKFBNZHXWQSO-OXJNMPFZSA-N 1 2 382.529 4.298 20 0 GIADLO O=C(CCc1c[nH]c[nH+]1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000188773775 823302180 /nfs/dbraw/zinc/30/21/80/823302180.db2.gz SMZIQYUQOGKKOM-UHFFFAOYSA-N 1 2 389.286 4.273 20 0 GIADLO O=C(CCc1c[nH+]c[nH]1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000188773775 823302187 /nfs/dbraw/zinc/30/21/87/823302187.db2.gz SMZIQYUQOGKKOM-UHFFFAOYSA-N 1 2 389.286 4.273 20 0 GIADLO Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC[C@@H]3c3cccn3C)cs2)cc1 ZINC000007855048 817939806 /nfs/dbraw/zinc/93/98/06/817939806.db2.gz FQOAZJMRIGBDSL-HXUWFJFHSA-N 1 2 394.544 4.308 20 0 GIADLO Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC[C@@H]3c3cccn3C)cs2)cc1 ZINC000007855048 817939810 /nfs/dbraw/zinc/93/98/10/817939810.db2.gz FQOAZJMRIGBDSL-HXUWFJFHSA-N 1 2 394.544 4.308 20 0 GIADLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)c1C ZINC000007918481 817958264 /nfs/dbraw/zinc/95/82/64/817958264.db2.gz DOKWFWMVFKGYEM-UHFFFAOYSA-N 1 2 388.895 4.189 20 0 GIADLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)c1C ZINC000007918481 817958268 /nfs/dbraw/zinc/95/82/68/817958268.db2.gz DOKWFWMVFKGYEM-UHFFFAOYSA-N 1 2 388.895 4.189 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N[C@@H](C)Cc2c(F)cccc2F)s1 ZINC000122055914 823299806 /nfs/dbraw/zinc/29/98/06/823299806.db2.gz RHUPLYWTAQKPOI-JSGCOSHPSA-N 1 2 395.519 4.032 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N[C@@H](C)Cc2c(F)cccc2F)s1 ZINC000122055914 823299812 /nfs/dbraw/zinc/29/98/12/823299812.db2.gz RHUPLYWTAQKPOI-JSGCOSHPSA-N 1 2 395.519 4.032 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2OC)s1 ZINC000122057384 823299933 /nfs/dbraw/zinc/29/99/33/823299933.db2.gz XMXVUQQHWCWXEG-HOTGVXAUSA-N 1 2 389.565 4.235 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2OC)s1 ZINC000122057384 823299940 /nfs/dbraw/zinc/29/99/40/823299940.db2.gz XMXVUQQHWCWXEG-HOTGVXAUSA-N 1 2 389.565 4.235 20 0 GIADLO CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000057490557 823303707 /nfs/dbraw/zinc/30/37/07/823303707.db2.gz GJYURSYCVZKZCR-HXUWFJFHSA-N 1 2 394.519 4.006 20 0 GIADLO COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000572233033 823305349 /nfs/dbraw/zinc/30/53/49/823305349.db2.gz PBPMIKGDRPBVFK-FTIBCMOBSA-N 1 2 394.515 4.047 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)c(C)c1 ZINC000008202883 818017569 /nfs/dbraw/zinc/01/75/69/818017569.db2.gz XDZCSULAVVVAGA-UHFFFAOYSA-N 1 2 392.499 4.406 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)c(C)c1 ZINC000008202883 818017575 /nfs/dbraw/zinc/01/75/75/818017575.db2.gz XDZCSULAVVVAGA-UHFFFAOYSA-N 1 2 392.499 4.406 20 0 GIADLO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000122094563 823305512 /nfs/dbraw/zinc/30/55/12/823305512.db2.gz LXPBVJOLUOSVLM-SFHVURJKSA-N 1 2 380.517 4.244 20 0 GIADLO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000122094563 823305515 /nfs/dbraw/zinc/30/55/15/823305515.db2.gz LXPBVJOLUOSVLM-SFHVURJKSA-N 1 2 380.517 4.244 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000011077377 818050478 /nfs/dbraw/zinc/05/04/78/818050478.db2.gz WIDJAEKHWCPTEL-UHFFFAOYSA-N 1 2 399.347 4.239 20 0 GIADLO CC(C)c1ccccc1NC(=O)C[C@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000572250899 823308024 /nfs/dbraw/zinc/30/80/24/823308024.db2.gz LGUWLNDIAHLXTC-KRWDZBQOSA-N 1 2 377.492 4.279 20 0 GIADLO CCOc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2sc(CC)nc2C)cc1 ZINC000122158411 823314765 /nfs/dbraw/zinc/31/47/65/823314765.db2.gz NGUCXMXXSSJCFH-INIZCTEOSA-N 1 2 389.565 4.064 20 0 GIADLO CCOc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2sc(CC)nc2C)cc1 ZINC000122158411 823314769 /nfs/dbraw/zinc/31/47/69/823314769.db2.gz NGUCXMXXSSJCFH-INIZCTEOSA-N 1 2 389.565 4.064 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1coc2ccc(C(C)C)cc21 ZINC000572268008 823310483 /nfs/dbraw/zinc/31/04/83/823310483.db2.gz AGWOAOIQTAJHSW-UHFFFAOYSA-N 1 2 379.460 4.349 20 0 GIADLO Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3cc[nH+]c(C)c3)[C@@H]2c2cccs2)cc1 ZINC000011683342 818109443 /nfs/dbraw/zinc/10/94/43/818109443.db2.gz MSMNQINJTOHYAV-WIYYLYMNSA-N 1 2 391.496 4.493 20 0 GIADLO CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000057642428 823317391 /nfs/dbraw/zinc/31/73/91/823317391.db2.gz HEJQMLRJLGUJCJ-UHFFFAOYSA-N 1 2 395.366 4.380 20 0 GIADLO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000057642428 823317399 /nfs/dbraw/zinc/31/73/99/823317399.db2.gz HEJQMLRJLGUJCJ-UHFFFAOYSA-N 1 2 395.366 4.380 20 0 GIADLO COc1cccc(N2CC[NH+](Cc3csc(-c4ccc(C)cc4)n3)CC2)c1 ZINC000014196299 818226872 /nfs/dbraw/zinc/22/68/72/818226872.db2.gz YFBZVUCKDWZMIN-UHFFFAOYSA-N 1 2 379.529 4.449 20 0 GIADLO CC[C@H](Oc1ccccc1C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176907960 823321737 /nfs/dbraw/zinc/32/17/37/823321737.db2.gz LEFIZALNRKFJDK-QFIPXVFZSA-N 1 2 395.547 4.004 20 0 GIADLO CCCCNc1[nH+]c2ccccc2n1Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000014282375 818232335 /nfs/dbraw/zinc/23/23/35/818232335.db2.gz HPGYMTVBHZMHPM-UHFFFAOYSA-N 1 2 377.448 4.355 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014320112 818234551 /nfs/dbraw/zinc/23/45/51/818234551.db2.gz HGRUNGPACRJTHS-UHFFFAOYSA-N 1 2 378.516 4.345 20 0 GIADLO O=C(COc1cccc2ccccc21)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000014524105 818249061 /nfs/dbraw/zinc/24/90/61/818249061.db2.gz IGSYQOCJCRGVKL-UHFFFAOYSA-N 1 2 381.501 4.300 20 0 GIADLO O=C(c1cc2ccccc2s1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014815036 818269353 /nfs/dbraw/zinc/26/93/53/818269353.db2.gz HZMVCEHKVDCKRG-UHFFFAOYSA-N 1 2 387.508 4.408 20 0 GIADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000014923607 818276933 /nfs/dbraw/zinc/27/69/33/818276933.db2.gz OCQGGEKULBYZAF-CQSZACIVSA-N 1 2 391.309 4.225 20 0 GIADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000014923607 818276940 /nfs/dbraw/zinc/27/69/40/818276940.db2.gz OCQGGEKULBYZAF-CQSZACIVSA-N 1 2 391.309 4.225 20 0 GIADLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)Cc1ccc(Br)s1 ZINC000015371798 818319039 /nfs/dbraw/zinc/31/90/39/818319039.db2.gz KYMSPBLMCBKRPO-STQMWFEESA-N 1 2 393.350 4.309 20 0 GIADLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000015371798 818319045 /nfs/dbraw/zinc/31/90/45/818319045.db2.gz KYMSPBLMCBKRPO-STQMWFEESA-N 1 2 393.350 4.309 20 0 GIADLO COC(=O)CCCc1nc(C[N@@H+]2CCCCC[C@H]2/C=C/c2ccccc2)no1 ZINC000122281522 823332006 /nfs/dbraw/zinc/33/20/06/823332006.db2.gz YZWDFBXTPOYSFF-IQGVVSCOSA-N 1 2 383.492 4.023 20 0 GIADLO COC(=O)CCCc1nc(C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)no1 ZINC000122281522 823332009 /nfs/dbraw/zinc/33/20/09/823332009.db2.gz YZWDFBXTPOYSFF-IQGVVSCOSA-N 1 2 383.492 4.023 20 0 GIADLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015452315 818327149 /nfs/dbraw/zinc/32/71/49/818327149.db2.gz OZTPFYDPHBPORJ-MAUKXSAKSA-N 1 2 395.528 4.319 20 0 GIADLO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015452315 818327154 /nfs/dbraw/zinc/32/71/54/818327154.db2.gz OZTPFYDPHBPORJ-MAUKXSAKSA-N 1 2 395.528 4.319 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000409868132 823330815 /nfs/dbraw/zinc/33/08/15/823330815.db2.gz BZDJRHPOTGXSRS-IWCQGFGOSA-N 1 2 379.435 4.148 20 0 GIADLO C[N@H+](Cc1ccc(Br)o1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000122318455 823337251 /nfs/dbraw/zinc/33/72/51/823337251.db2.gz VWDHEMWMRDXTEZ-UHFFFAOYSA-N 1 2 379.176 4.010 20 0 GIADLO C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000122318455 823337258 /nfs/dbraw/zinc/33/72/58/823337258.db2.gz VWDHEMWMRDXTEZ-UHFFFAOYSA-N 1 2 379.176 4.010 20 0 GIADLO CC(C)OCc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016026160 818386140 /nfs/dbraw/zinc/38/61/40/818386140.db2.gz WBCOTRJIDLOJKP-UHFFFAOYSA-N 1 2 392.499 4.316 20 0 GIADLO C[C@H](CC(=O)N1CCC(c2cccc(Br)c2)CC1)n1cc[nH+]c1 ZINC000572410346 823334599 /nfs/dbraw/zinc/33/45/99/823334599.db2.gz XMANSQUIMFNLJT-CQSZACIVSA-N 1 2 376.298 4.003 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)CC2CC(c3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000409880803 823334657 /nfs/dbraw/zinc/33/46/57/823334657.db2.gz SQFFLDKKFWMSFM-VCEDRUOWSA-N 1 2 384.470 4.410 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)CC2CC(c3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000409880803 823334668 /nfs/dbraw/zinc/33/46/68/823334668.db2.gz SQFFLDKKFWMSFM-VCEDRUOWSA-N 1 2 384.470 4.410 20 0 GIADLO Cc1cccc(OCC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000016237452 818408235 /nfs/dbraw/zinc/40/82/35/818408235.db2.gz YJEWKKDGWBEFBZ-UHFFFAOYSA-N 1 2 393.512 4.027 20 0 GIADLO Cc1cccc(OCC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000016237452 818408240 /nfs/dbraw/zinc/40/82/40/818408240.db2.gz YJEWKKDGWBEFBZ-UHFFFAOYSA-N 1 2 393.512 4.027 20 0 GIADLO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000016377808 818431430 /nfs/dbraw/zinc/43/14/30/818431430.db2.gz AHPXTDRWJNDVAE-CQSZACIVSA-N 1 2 391.309 4.225 20 0 GIADLO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000016377808 818431433 /nfs/dbraw/zinc/43/14/33/818431433.db2.gz AHPXTDRWJNDVAE-CQSZACIVSA-N 1 2 391.309 4.225 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)cc1 ZINC000016554580 818454655 /nfs/dbraw/zinc/45/46/55/818454655.db2.gz CCSVBQKFCNEULZ-UONOGXRCSA-N 1 2 397.544 4.311 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)cc1 ZINC000016554580 818454661 /nfs/dbraw/zinc/45/46/61/818454661.db2.gz CCSVBQKFCNEULZ-UONOGXRCSA-N 1 2 397.544 4.311 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000016590912 818456970 /nfs/dbraw/zinc/45/69/70/818456970.db2.gz ZCFMNALYKWZEGO-MRXNPFEDSA-N 1 2 378.472 4.316 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000016590912 818456974 /nfs/dbraw/zinc/45/69/74/818456974.db2.gz ZCFMNALYKWZEGO-MRXNPFEDSA-N 1 2 378.472 4.316 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000016626862 818460449 /nfs/dbraw/zinc/46/04/49/818460449.db2.gz PYNSDRZYIGRAIS-UHFFFAOYSA-N 1 2 386.801 4.438 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000016626862 818460453 /nfs/dbraw/zinc/46/04/53/818460453.db2.gz PYNSDRZYIGRAIS-UHFFFAOYSA-N 1 2 386.801 4.438 20 0 GIADLO O=C(CC1CC[NH+](Cc2ccc(Br)cc2Cl)CC1)N1CCCC1 ZINC000057862385 823342929 /nfs/dbraw/zinc/34/29/29/823342929.db2.gz YRUDVMJXGWIZFN-UHFFFAOYSA-N 1 2 399.760 4.327 20 0 GIADLO CN(C(=O)Nc1ccccc1C(F)(F)F)C1CCN(c2cccc[nH+]2)CC1 ZINC000057879446 823344105 /nfs/dbraw/zinc/34/41/05/823344105.db2.gz ITSAEHLDVFSAMA-UHFFFAOYSA-N 1 2 378.398 4.233 20 0 GIADLO Cc1c(Cl)cccc1NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018144804 818550532 /nfs/dbraw/zinc/55/05/32/818550532.db2.gz ZBCKZSFSGXPPFY-UHFFFAOYSA-N 1 2 375.925 4.290 20 0 GIADLO O=C(C[N@H+](Cc1ccncc1)C1CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000122401902 823349549 /nfs/dbraw/zinc/34/95/49/823349549.db2.gz LYCFDTOSNYKWAY-QFIPXVFZSA-N 1 2 395.503 4.152 20 0 GIADLO O=C(C[N@@H+](Cc1ccncc1)C1CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000122401902 823349556 /nfs/dbraw/zinc/34/95/56/823349556.db2.gz LYCFDTOSNYKWAY-QFIPXVFZSA-N 1 2 395.503 4.152 20 0 GIADLO CC1(C)C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@@H]1[C@@H]1CCCO1 ZINC000572529973 823355211 /nfs/dbraw/zinc/35/52/11/823355211.db2.gz BSVXTHHLGBRDHI-DLBZAZTESA-N 1 2 391.309 4.494 20 0 GIADLO CC1(C)C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@@H]1[C@@H]1CCCO1 ZINC000572529973 823355219 /nfs/dbraw/zinc/35/52/19/823355219.db2.gz BSVXTHHLGBRDHI-DLBZAZTESA-N 1 2 391.309 4.494 20 0 GIADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)NC1(c2ccccc2)CCCCC1 ZINC000572510002 823351911 /nfs/dbraw/zinc/35/19/11/823351911.db2.gz HDFQFEDTQFUGGN-UHFFFAOYSA-N 1 2 375.476 4.308 20 0 GIADLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C)ccc1OC ZINC000058016264 823355153 /nfs/dbraw/zinc/35/51/53/823355153.db2.gz GDLJHGMLCIEPRY-UHFFFAOYSA-N 1 2 380.410 4.483 20 0 GIADLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C)ccc1OC ZINC000058016264 823355157 /nfs/dbraw/zinc/35/51/57/823355157.db2.gz GDLJHGMLCIEPRY-UHFFFAOYSA-N 1 2 380.410 4.483 20 0 GIADLO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000460337851 823357771 /nfs/dbraw/zinc/35/77/71/823357771.db2.gz ZXMNTKKDXAPQKM-UHFFFAOYSA-N 1 2 394.431 4.348 20 0 GIADLO CN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460343449 823359101 /nfs/dbraw/zinc/35/91/01/823359101.db2.gz NPOJLNKTTXAOHE-IYBDPMFKSA-N 1 2 380.414 4.135 20 0 GIADLO O=c1nc(C[NH+]2CCC([C@H]3CCCO3)CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000189113021 823359370 /nfs/dbraw/zinc/35/93/70/823359370.db2.gz PEEIOYNDLWXSOY-GOSISDBHSA-N 1 2 395.528 4.043 20 0 GIADLO Cc1ccc(Cl)c(OCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000022238208 818784898 /nfs/dbraw/zinc/78/48/98/818784898.db2.gz IOERNCMVWRNBHE-UHFFFAOYSA-N 1 2 379.913 4.108 20 0 GIADLO CC(C)(C)c1ccccc1OCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289904 818790116 /nfs/dbraw/zinc/79/01/16/818790116.db2.gz PCHLDLPOKDDSJD-UHFFFAOYSA-N 1 2 387.549 4.444 20 0 GIADLO Cc1cc(C)c(OCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c(C)c1 ZINC000022290934 818790911 /nfs/dbraw/zinc/79/09/11/818790911.db2.gz WGROHPYRMQGUHW-UHFFFAOYSA-N 1 2 387.549 4.318 20 0 GIADLO Cc1ccnn1-c1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000022291928 818791304 /nfs/dbraw/zinc/79/13/04/818791304.db2.gz RSRATJOMIJHXCS-UHFFFAOYSA-N 1 2 395.532 4.121 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)CCc3ccc(N(C)C)cc3)n2)CC1 ZINC000022291977 818791445 /nfs/dbraw/zinc/79/14/45/818791445.db2.gz DVKJFDXWQIVIQU-UHFFFAOYSA-N 1 2 386.565 4.012 20 0 GIADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000460364735 823364739 /nfs/dbraw/zinc/36/47/39/823364739.db2.gz MTKYOMVOHBLKOH-SJCJKPOMSA-N 1 2 392.272 4.005 20 0 GIADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000460364735 823364742 /nfs/dbraw/zinc/36/47/42/823364742.db2.gz MTKYOMVOHBLKOH-SJCJKPOMSA-N 1 2 392.272 4.005 20 0 GIADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022772681 818858916 /nfs/dbraw/zinc/85/89/16/818858916.db2.gz YKGGKEWERLPINV-TYOLEZHBSA-N 1 2 399.538 4.498 20 0 GIADLO C[N@H+](CC1CCCC1)Cn1nc(-c2ccccc2Br)[nH]c1=S ZINC000058207637 823369007 /nfs/dbraw/zinc/36/90/07/823369007.db2.gz PIJCOASTDHRUDY-UHFFFAOYSA-N 1 2 381.343 4.450 20 0 GIADLO C[N@@H+](CC1CCCC1)Cn1nc(-c2ccccc2Br)[nH]c1=S ZINC000058207637 823369014 /nfs/dbraw/zinc/36/90/14/823369014.db2.gz PIJCOASTDHRUDY-UHFFFAOYSA-N 1 2 381.343 4.450 20 0 GIADLO CCCCn1c2nn(C[N@H+](C)CC3CCCC3)c(=S)n2c2ccccc2c1=O ZINC000058207541 823369096 /nfs/dbraw/zinc/36/90/96/823369096.db2.gz PHGVCHAJDSGSJZ-UHFFFAOYSA-N 1 2 399.564 4.060 20 0 GIADLO CCCCn1c2nn(C[N@@H+](C)CC3CCCC3)c(=S)n2c2ccccc2c1=O ZINC000058207541 823369101 /nfs/dbraw/zinc/36/91/01/823369101.db2.gz PHGVCHAJDSGSJZ-UHFFFAOYSA-N 1 2 399.564 4.060 20 0 GIADLO Cc1ccc(-c2noc(C[N@@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000022845248 818867418 /nfs/dbraw/zinc/86/74/18/818867418.db2.gz ITUGZXIFYFEFLH-UHFFFAOYSA-N 1 2 396.922 4.406 20 0 GIADLO Cc1ccc(-c2noc(C[N@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000022845248 818867425 /nfs/dbraw/zinc/86/74/25/818867425.db2.gz ITUGZXIFYFEFLH-UHFFFAOYSA-N 1 2 396.922 4.406 20 0 GIADLO COc1ccc(C)cc1C[NH+]1CCN(Cc2cc(-c3cccs3)on2)CC1 ZINC000022924081 818877018 /nfs/dbraw/zinc/87/70/18/818877018.db2.gz PRMQFUPZCZBTKL-UHFFFAOYSA-N 1 2 383.517 4.038 20 0 GIADLO Fc1ccc(CN2CCC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000022983533 818884543 /nfs/dbraw/zinc/88/45/43/818884543.db2.gz VSDPGUHWVYOGQI-UHFFFAOYSA-N 1 2 383.442 4.328 20 0 GIADLO Fc1ccc(CN2CCC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000022983533 818884548 /nfs/dbraw/zinc/88/45/48/818884548.db2.gz VSDPGUHWVYOGQI-UHFFFAOYSA-N 1 2 383.442 4.328 20 0 GIADLO Cc1noc([C@@H](C)Sc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000022988263 818885033 /nfs/dbraw/zinc/88/50/33/818885033.db2.gz DZROJRYXKYXCBB-HUUCEWRRSA-N 1 2 398.536 4.359 20 0 GIADLO CCc1ccccc1NC(=O)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000023009128 818886885 /nfs/dbraw/zinc/88/68/85/818886885.db2.gz FAISSOZLZBFRSM-UHFFFAOYSA-N 1 2 385.939 4.049 20 0 GIADLO CCc1ccccc1NC(=O)C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000023009128 818886889 /nfs/dbraw/zinc/88/68/89/818886889.db2.gz FAISSOZLZBFRSM-UHFFFAOYSA-N 1 2 385.939 4.049 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1F ZINC000023186600 818905661 /nfs/dbraw/zinc/90/56/61/818905661.db2.gz LLLYJLVBNCDKNJ-GOSISDBHSA-N 1 2 380.822 4.020 20 0 GIADLO O=C(CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1F ZINC000023186600 818905667 /nfs/dbraw/zinc/90/56/67/818905667.db2.gz LLLYJLVBNCDKNJ-GOSISDBHSA-N 1 2 380.822 4.020 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000122568077 823374021 /nfs/dbraw/zinc/37/40/21/823374021.db2.gz RKPWBADPEVJKEC-DLBZAZTESA-N 1 2 380.517 4.091 20 0 GIADLO CC(C)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)nc1 ZINC000572654715 823376446 /nfs/dbraw/zinc/37/64/46/823376446.db2.gz KIJGSWKBLPTVCN-UHFFFAOYSA-N 1 2 392.528 4.472 20 0 GIADLO CC(C)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)nc1 ZINC000572654715 823376452 /nfs/dbraw/zinc/37/64/52/823376452.db2.gz KIJGSWKBLPTVCN-UHFFFAOYSA-N 1 2 392.528 4.472 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)CCc3ccc(-c4ccccc4F)o3)sc2C1 ZINC000023609219 818964581 /nfs/dbraw/zinc/96/45/81/818964581.db2.gz VARRJYVKQLKJIC-UHFFFAOYSA-N 1 2 385.464 4.101 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)CCc3ccc(-c4ccccc4F)o3)sc2C1 ZINC000023609219 818964586 /nfs/dbraw/zinc/96/45/86/818964586.db2.gz VARRJYVKQLKJIC-UHFFFAOYSA-N 1 2 385.464 4.101 20 0 GIADLO CN(C)c1ccc(Nc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c[nH+]1 ZINC000023618975 818965928 /nfs/dbraw/zinc/96/59/28/818965928.db2.gz XLHQECUBYBVSCZ-UHFFFAOYSA-N 1 2 388.500 4.447 20 0 GIADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000572657080 823377003 /nfs/dbraw/zinc/37/70/03/823377003.db2.gz UIQROHQBHXTGOP-LIRRHRJNSA-N 1 2 398.308 4.008 20 0 GIADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000572657080 823377011 /nfs/dbraw/zinc/37/70/11/823377011.db2.gz UIQROHQBHXTGOP-LIRRHRJNSA-N 1 2 398.308 4.008 20 0 GIADLO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1csc(COc2ccccc2)n1)c1ccco1 ZINC000177124119 823376967 /nfs/dbraw/zinc/37/69/67/823376967.db2.gz MCBDHFSZPHYXEA-HKUYNNGSSA-N 1 2 384.501 4.403 20 0 GIADLO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1csc(COc2ccccc2)n1)c1ccco1 ZINC000177124119 823376974 /nfs/dbraw/zinc/37/69/74/823376974.db2.gz MCBDHFSZPHYXEA-HKUYNNGSSA-N 1 2 384.501 4.403 20 0 GIADLO COc1cccc(C[N@H+](C)Cc2nnc(-c3ccccc3Br)o2)c1 ZINC000023707351 818975987 /nfs/dbraw/zinc/97/59/87/818975987.db2.gz PCJUPVXXRWHICK-UHFFFAOYSA-N 1 2 388.265 4.140 20 0 GIADLO COc1cccc(C[N@@H+](C)Cc2nnc(-c3ccccc3Br)o2)c1 ZINC000023707351 818975990 /nfs/dbraw/zinc/97/59/90/818975990.db2.gz PCJUPVXXRWHICK-UHFFFAOYSA-N 1 2 388.265 4.140 20 0 GIADLO Cc1c2cccc(F)c2oc1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000024219200 819035539 /nfs/dbraw/zinc/03/55/39/819035539.db2.gz JFDYBXMVIGUHQP-UHFFFAOYSA-N 1 2 396.466 4.065 20 0 GIADLO CC(C)Oc1ccccc1CC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000572685307 823382837 /nfs/dbraw/zinc/38/28/37/823382837.db2.gz OEDGXBDWDKSHAL-UHFFFAOYSA-N 1 2 383.879 4.172 20 0 GIADLO O[C@@H](C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccccc1)c1ccco1 ZINC000177151910 823384485 /nfs/dbraw/zinc/38/44/85/823384485.db2.gz HDAFKPPFHRZUJA-INIZCTEOSA-N 1 2 381.457 4.127 20 0 GIADLO O[C@@H](C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccccc1)c1ccco1 ZINC000177151910 823384487 /nfs/dbraw/zinc/38/44/87/823384487.db2.gz HDAFKPPFHRZUJA-INIZCTEOSA-N 1 2 381.457 4.127 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000177164528 823388068 /nfs/dbraw/zinc/38/80/68/823388068.db2.gz CVVFHJSHRIQRHV-UHFFFAOYSA-N 1 2 378.822 4.260 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000177164528 823388073 /nfs/dbraw/zinc/38/80/73/823388073.db2.gz CVVFHJSHRIQRHV-UHFFFAOYSA-N 1 2 378.822 4.260 20 0 GIADLO CC[C@@H](c1nnc(SC[C@H](O)CC(F)(F)F)n1C1CCCCC1)[NH+](C)C ZINC000189319520 823392997 /nfs/dbraw/zinc/39/29/97/823392997.db2.gz VKDFDEJBLRSEPU-KGLIPLIRSA-N 1 2 394.507 4.201 20 0 GIADLO CSc1ccccc1[C@@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000410143674 823400935 /nfs/dbraw/zinc/40/09/35/823400935.db2.gz SVDINYQZJFEOQU-MRXNPFEDSA-N 1 2 380.517 4.214 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1O ZINC000177214395 823401621 /nfs/dbraw/zinc/40/16/21/823401621.db2.gz XIAXSXHIWIHDLR-LBPRGKRZSA-N 1 2 397.302 4.017 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1O ZINC000177214395 823401625 /nfs/dbraw/zinc/40/16/25/823401625.db2.gz XIAXSXHIWIHDLR-LBPRGKRZSA-N 1 2 397.302 4.017 20 0 GIADLO CC(C)(C)c1ccc(CCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000410151751 823402849 /nfs/dbraw/zinc/40/28/49/823402849.db2.gz SMPODJDGGXOXFC-UHFFFAOYSA-N 1 2 390.531 4.271 20 0 GIADLO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410152238 823403195 /nfs/dbraw/zinc/40/31/95/823403195.db2.gz VYXZVDAVMGJWNM-UHFFFAOYSA-N 1 2 388.393 4.269 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)c2nc(C(F)(F)F)nc3ccccc32)c1C ZINC000058544889 823406937 /nfs/dbraw/zinc/40/69/37/823406937.db2.gz FXFBKFSUHWBQAZ-UHFFFAOYSA-N 1 2 376.382 4.305 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000058579758 823412236 /nfs/dbraw/zinc/41/22/36/823412236.db2.gz RCHZFHLDWFRIKD-UHFFFAOYSA-N 1 2 385.483 4.095 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000058579758 823412238 /nfs/dbraw/zinc/41/22/38/823412238.db2.gz RCHZFHLDWFRIKD-UHFFFAOYSA-N 1 2 385.483 4.095 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000058579179 823412242 /nfs/dbraw/zinc/41/22/42/823412242.db2.gz RXTBYLDXJKDPSR-UHFFFAOYSA-N 1 2 385.483 4.095 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000058579179 823412244 /nfs/dbraw/zinc/41/22/44/823412244.db2.gz RXTBYLDXJKDPSR-UHFFFAOYSA-N 1 2 385.483 4.095 20 0 GIADLO COc1cc2cc[nH+]c(N(C)CC(=O)Nc3ccccc3SC)c2cc1F ZINC000572874263 823412250 /nfs/dbraw/zinc/41/22/50/823412250.db2.gz AUSRPHBBXUVLEV-UHFFFAOYSA-N 1 2 385.464 4.179 20 0 GIADLO COc1ccc(CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H](C)C2CC2)cc1 ZINC000410181042 823412696 /nfs/dbraw/zinc/41/26/96/823412696.db2.gz CLFKMWSWSQWBBW-GOSISDBHSA-N 1 2 389.499 4.381 20 0 GIADLO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000122773275 823409683 /nfs/dbraw/zinc/40/96/83/823409683.db2.gz UWVPATNBCHCCHQ-UHFFFAOYSA-N 1 2 393.443 4.001 20 0 GIADLO O=C(CCC(=O)c1ccc(Cl)cc1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000572969716 823427904 /nfs/dbraw/zinc/42/79/04/823427904.db2.gz KOXJZUPHQJONSO-IYARVYRRSA-N 1 2 385.895 4.237 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc(F)cc1Cl ZINC000024662197 819861270 /nfs/dbraw/zinc/86/12/70/819861270.db2.gz QIIABMACAIOFOV-ZDUSSCGKSA-N 1 2 387.842 4.438 20 0 GIADLO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc(F)cc1Cl ZINC000024662197 819861279 /nfs/dbraw/zinc/86/12/79/819861279.db2.gz QIIABMACAIOFOV-ZDUSSCGKSA-N 1 2 387.842 4.438 20 0 GIADLO Cc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(C)n1Cc1ccccc1 ZINC000024750405 819872771 /nfs/dbraw/zinc/87/27/71/819872771.db2.gz SSMZALRHAGPUJI-UHFFFAOYSA-N 1 2 398.510 4.328 20 0 GIADLO FC(F)(F)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000024798173 819877556 /nfs/dbraw/zinc/87/75/56/819877556.db2.gz ZMWWMOBSPSXRPC-SNVBAGLBSA-N 1 2 390.203 4.273 20 0 GIADLO FC(F)(F)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000024798173 819877568 /nfs/dbraw/zinc/87/75/68/819877568.db2.gz ZMWWMOBSPSXRPC-SNVBAGLBSA-N 1 2 390.203 4.273 20 0 GIADLO Cc1cc(C)c(OCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c(C)c1 ZINC000024886339 819889147 /nfs/dbraw/zinc/88/91/47/819889147.db2.gz YNVXUKWMRLNJBW-CQSZACIVSA-N 1 2 387.549 4.318 20 0 GIADLO Cc1cc(C)c(OCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c(C)c1 ZINC000024886339 819889157 /nfs/dbraw/zinc/88/91/57/819889157.db2.gz YNVXUKWMRLNJBW-CQSZACIVSA-N 1 2 387.549 4.318 20 0 GIADLO CCn1c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc2ccccc21 ZINC000410257968 823437011 /nfs/dbraw/zinc/43/70/11/823437011.db2.gz SYIFMODTNFHTJY-SFHVURJKSA-N 1 2 376.504 4.214 20 0 GIADLO CC(C)c1cccc(OCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410261333 823438518 /nfs/dbraw/zinc/43/85/18/823438518.db2.gz XRYYGCITWHKJBW-IBGZPJMESA-N 1 2 381.520 4.128 20 0 GIADLO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](CC)c1nc(C)cs1)n2CC ZINC000573041008 823438649 /nfs/dbraw/zinc/43/86/49/823438649.db2.gz ZUTBMZKICAZXFW-OAHLLOKOSA-N 1 2 386.521 4.239 20 0 GIADLO CC[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(OC)cc1 ZINC000410268605 823441939 /nfs/dbraw/zinc/44/19/39/823441939.db2.gz USVUNRXZPMFYLC-RXVVDRJESA-N 1 2 381.520 4.128 20 0 GIADLO O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410272224 823443599 /nfs/dbraw/zinc/44/35/99/823443599.db2.gz WQZOPKMNTWUNGI-OIISXLGYSA-N 1 2 383.458 4.294 20 0 GIADLO CCOc1ccc(CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C(C)C)cc1 ZINC000410274372 823444440 /nfs/dbraw/zinc/44/44/40/823444440.db2.gz UIYAIRVJAVQZQN-UHFFFAOYSA-N 1 2 377.488 4.381 20 0 GIADLO Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410276090 823445202 /nfs/dbraw/zinc/44/52/02/823445202.db2.gz NRBXEQDERPUTHE-LJQANCHMSA-N 1 2 395.547 4.436 20 0 GIADLO CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410276636 823445216 /nfs/dbraw/zinc/44/52/16/823445216.db2.gz RCYBGDVAZVZGBC-PXNSSMCTSA-N 1 2 383.561 4.496 20 0 GIADLO O=C(CCSc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281660 823447210 /nfs/dbraw/zinc/44/72/10/823447210.db2.gz LSMLJGUIUBKRSP-MRXNPFEDSA-N 1 2 387.524 4.247 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)c2ccc(Cl)cc2)c1C ZINC000060558246 823542210 /nfs/dbraw/zinc/54/22/10/823542210.db2.gz BISGUKAHHIQEFF-UHFFFAOYSA-N 1 2 389.927 4.480 20 0 GIADLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000026303409 820080406 /nfs/dbraw/zinc/08/04/06/820080406.db2.gz NEGWRJYPPKARPT-AWEZNQCLSA-N 1 2 392.425 4.261 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccccc1C(F)(F)F ZINC000177398301 823453617 /nfs/dbraw/zinc/45/36/17/823453617.db2.gz CLHVHJBZWZOVTM-CYBMUJFWSA-N 1 2 396.434 4.443 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccccc1C(F)(F)F ZINC000177398301 823453619 /nfs/dbraw/zinc/45/36/19/823453619.db2.gz CLHVHJBZWZOVTM-CYBMUJFWSA-N 1 2 396.434 4.443 20 0 GIADLO Cc1ccc(OCCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000410292644 823452137 /nfs/dbraw/zinc/45/21/37/823452137.db2.gz SUYCLMZZSFKXCS-IBGZPJMESA-N 1 2 381.520 4.011 20 0 GIADLO COc1ccc(C2(C(=O)N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)CCC2)cc1 ZINC000410293584 823452480 /nfs/dbraw/zinc/45/24/80/823452480.db2.gz WBSAUZZXTCHVFG-GOSISDBHSA-N 1 2 393.531 4.056 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)cc1OC(F)F ZINC000026452390 820098326 /nfs/dbraw/zinc/09/83/26/820098326.db2.gz BLTJWUPQTXLOCP-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)cc1OC(F)F ZINC000026452390 820098335 /nfs/dbraw/zinc/09/83/35/820098335.db2.gz BLTJWUPQTXLOCP-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2Cl)cc1OC(F)F ZINC000026452494 820098516 /nfs/dbraw/zinc/09/85/16/820098516.db2.gz HLYRKAZKBJWBLE-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2Cl)cc1OC(F)F ZINC000026452494 820098525 /nfs/dbraw/zinc/09/85/25/820098525.db2.gz HLYRKAZKBJWBLE-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)C2CC2)cc1 ZINC000026476221 820102451 /nfs/dbraw/zinc/10/24/51/820102451.db2.gz KPXNBXSLGQSSKW-JWQCQUIFSA-N 1 2 385.511 4.337 20 0 GIADLO COc1ccc([C@@H](NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)C2CC2)cc1 ZINC000026811852 820147561 /nfs/dbraw/zinc/14/75/61/820147561.db2.gz BAGKCBTZOLRWNW-IBGZPJMESA-N 1 2 378.925 4.109 20 0 GIADLO COc1ccc([C@@H](NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)C2CC2)cc1 ZINC000026811852 820147567 /nfs/dbraw/zinc/14/75/67/820147567.db2.gz BAGKCBTZOLRWNW-IBGZPJMESA-N 1 2 378.925 4.109 20 0 GIADLO COc1cc([C@@H](C)[NH2+][C@@H]2CSc3ccc(Br)cc32)c(F)cn1 ZINC000573156086 823456529 /nfs/dbraw/zinc/45/65/29/823456529.db2.gz USMITZOCXVKLEH-YMTOWFKASA-N 1 2 383.286 4.489 20 0 GIADLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000177416084 823457280 /nfs/dbraw/zinc/45/72/80/823457280.db2.gz DYIQOSFZUORJTQ-SCLBCKFNSA-N 1 2 385.851 4.030 20 0 GIADLO CC(C)[C@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccccc1 ZINC000026908252 820162405 /nfs/dbraw/zinc/16/24/05/820162405.db2.gz MRXVJKLDYGMRAS-IBGZPJMESA-N 1 2 398.507 4.094 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc(Br)cs1 ZINC000410305498 823457765 /nfs/dbraw/zinc/45/77/65/823457765.db2.gz IIRMTJXQNUCTHD-UHFFFAOYSA-N 1 2 394.338 4.216 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NCc3cccc4cccnc43)CCCC2)no1 ZINC000123076093 823457864 /nfs/dbraw/zinc/45/78/64/823457864.db2.gz GLSWGDGGVRUAOY-UHFFFAOYSA-N 1 2 379.508 4.019 20 0 GIADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410311493 823459752 /nfs/dbraw/zinc/45/97/52/823459752.db2.gz FHCUCNIUWRVPTJ-MRXNPFEDSA-N 1 2 387.911 4.199 20 0 GIADLO O=C(COc1cccc2ccccc21)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410312859 823460109 /nfs/dbraw/zinc/46/01/09/823460109.db2.gz WQFTYEQVJBAREG-UHFFFAOYSA-N 1 2 389.499 4.310 20 0 GIADLO O=C(C[N@H+](Cc1cccs1)C1CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000027108281 820195197 /nfs/dbraw/zinc/19/51/97/820195197.db2.gz XPWJPYRJSJWPMW-GOSISDBHSA-N 1 2 395.484 4.276 20 0 GIADLO O=C(C[N@@H+](Cc1cccs1)C1CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000027108281 820195203 /nfs/dbraw/zinc/19/52/03/820195203.db2.gz XPWJPYRJSJWPMW-GOSISDBHSA-N 1 2 395.484 4.276 20 0 GIADLO C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000177440429 823462849 /nfs/dbraw/zinc/46/28/49/823462849.db2.gz NCRZLEYEYXGYLW-GOSISDBHSA-N 1 2 397.482 4.495 20 0 GIADLO CCOc1cccc(S(=O)(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000410323339 823462950 /nfs/dbraw/zinc/46/29/50/823462950.db2.gz BSKHSSZKALZMAT-UHFFFAOYSA-N 1 2 397.500 4.086 20 0 GIADLO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000573187979 823463215 /nfs/dbraw/zinc/46/32/15/823463215.db2.gz NZUMLRBBYBSQGI-OAHLLOKOSA-N 1 2 399.926 4.099 20 0 GIADLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410326533 823464051 /nfs/dbraw/zinc/46/40/51/823464051.db2.gz OGROGNNMFBNDIP-IRLDBZIGSA-N 1 2 379.548 4.440 20 0 GIADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000027544963 820258250 /nfs/dbraw/zinc/25/82/50/820258250.db2.gz AGKROVYZPWLBSS-UHFFFAOYSA-N 1 2 383.879 4.059 20 0 GIADLO C[C@@H](c1cccs1)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000027554914 820259151 /nfs/dbraw/zinc/25/91/51/820259151.db2.gz JZDXNBKSWMIIJZ-GOEBONIOSA-N 1 2 383.473 4.305 20 0 GIADLO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000027554914 820259157 /nfs/dbraw/zinc/25/91/57/820259157.db2.gz JZDXNBKSWMIIJZ-GOEBONIOSA-N 1 2 383.473 4.305 20 0 GIADLO CC(C)(C)CC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000027598777 820264978 /nfs/dbraw/zinc/26/49/78/820264978.db2.gz CUDYPXKFWRZLQE-UHFFFAOYSA-N 1 2 390.531 4.082 20 0 GIADLO C[C@@H](CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)n1cc[nH+]c1 ZINC000573210649 823466038 /nfs/dbraw/zinc/46/60/38/823466038.db2.gz QEVLEBVNPPTJHA-IINYFYTJSA-N 1 2 379.304 4.273 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000573217337 823467143 /nfs/dbraw/zinc/46/71/43/823467143.db2.gz BKJVGFABYWNLOJ-WBMJQRKESA-N 1 2 384.480 4.045 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000573217337 823467145 /nfs/dbraw/zinc/46/71/45/823467145.db2.gz BKJVGFABYWNLOJ-WBMJQRKESA-N 1 2 384.480 4.045 20 0 GIADLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)c1 ZINC000027881855 820293697 /nfs/dbraw/zinc/29/36/97/820293697.db2.gz OILOBMVMFSVPAJ-RBUKOAKNSA-N 1 2 391.515 4.129 20 0 GIADLO C[C@H]1CCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C[C@H]1n1cc[nH+]c1 ZINC000123140479 823469047 /nfs/dbraw/zinc/46/90/47/823469047.db2.gz WZGRHOZIHKZWAH-HTAPYJJXSA-N 1 2 393.462 4.325 20 0 GIADLO CNC(=O)c1cccc(C[NH2+][C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 ZINC000028374857 820330398 /nfs/dbraw/zinc/33/03/98/820330398.db2.gz UBYDWCUTFVIIBU-HSZRJFAPSA-N 1 2 397.478 4.241 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000028620053 820345224 /nfs/dbraw/zinc/34/52/24/820345224.db2.gz CNPHRCMVRILRAW-ZDUSSCGKSA-N 1 2 381.530 4.184 20 0 GIADLO C[C@H](NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccccc1Cl ZINC000028730967 820353947 /nfs/dbraw/zinc/35/39/47/820353947.db2.gz MRRHJYSELUZCOI-HOTGVXAUSA-N 1 2 392.952 4.260 20 0 GIADLO C[C@H](NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccccc1Cl ZINC000028730967 820353957 /nfs/dbraw/zinc/35/39/57/820353957.db2.gz MRRHJYSELUZCOI-HOTGVXAUSA-N 1 2 392.952 4.260 20 0 GIADLO COCCNc1nn(C[NH+]2CCC(CCc3ccccc3)CC2)c(=S)s1 ZINC000028736549 820354357 /nfs/dbraw/zinc/35/43/57/820354357.db2.gz LPLFMUUSUXABAO-UHFFFAOYSA-N 1 2 392.594 4.035 20 0 GIADLO COC[C@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(OCC3CCCC3)CC2)c1C ZINC000177499992 823477213 /nfs/dbraw/zinc/47/72/13/823477213.db2.gz LGIHJWCQPDJRPB-SFHVURJKSA-N 1 2 390.568 4.166 20 0 GIADLO O=C(CCN1CC[NH+](Cc2ccsc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000028890175 820367487 /nfs/dbraw/zinc/36/74/87/820367487.db2.gz PFTNCIMVMXCALW-UHFFFAOYSA-N 1 2 398.359 4.201 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(SC)cc2)ccc1OC(F)F ZINC000028936225 820375905 /nfs/dbraw/zinc/37/59/05/820375905.db2.gz BARPLSBSRWMXAO-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(SC)cc2)ccc1OC(F)F ZINC000028936225 820375912 /nfs/dbraw/zinc/37/59/12/820375912.db2.gz BARPLSBSRWMXAO-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc(Cn5cc[nH+]c5)cc4)cc3c2C1 ZINC000029027105 820385517 /nfs/dbraw/zinc/38/55/17/820385517.db2.gz UJILGZIYMLUFQP-QGZVFWFLSA-N 1 2 398.510 4.468 20 0 GIADLO C[N@H+](CCOc1cccc(Cl)c1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000029143447 820399019 /nfs/dbraw/zinc/39/90/19/820399019.db2.gz UENWXQFRIMJXLK-UHFFFAOYSA-N 1 2 383.835 4.246 20 0 GIADLO C[N@@H+](CCOc1cccc(Cl)c1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000029143447 820399029 /nfs/dbraw/zinc/39/90/29/820399029.db2.gz UENWXQFRIMJXLK-UHFFFAOYSA-N 1 2 383.835 4.246 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1C ZINC000058957906 823476099 /nfs/dbraw/zinc/47/60/99/823476099.db2.gz PERZDPCQTVUJAO-UHFFFAOYSA-N 1 2 384.867 4.023 20 0 GIADLO CC(C)n1nccc1C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000410372035 823478743 /nfs/dbraw/zinc/47/87/43/823478743.db2.gz NAAKFFUOQLIVNI-QGZVFWFLSA-N 1 2 395.288 4.406 20 0 GIADLO CC(C)n1nccc1C[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000410372035 823478746 /nfs/dbraw/zinc/47/87/46/823478746.db2.gz NAAKFFUOQLIVNI-QGZVFWFLSA-N 1 2 395.288 4.406 20 0 GIADLO CC(C)[C@H](C)[N@H+](C)Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S ZINC000029541723 820472658 /nfs/dbraw/zinc/47/26/58/820472658.db2.gz SKUNVUHZTLWXQF-KRWDZBQOSA-N 1 2 381.549 4.458 20 0 GIADLO CC(C)[C@H](C)[N@@H+](C)Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S ZINC000029541723 820472664 /nfs/dbraw/zinc/47/26/64/820472664.db2.gz SKUNVUHZTLWXQF-KRWDZBQOSA-N 1 2 381.549 4.458 20 0 GIADLO C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4cc[nH+]c(N5CCCC5)c4)cc3c2C1 ZINC000029551824 820475341 /nfs/dbraw/zinc/47/53/41/820475341.db2.gz RXDLBBDVHCAAHB-INIZCTEOSA-N 1 2 388.515 4.218 20 0 GIADLO COc1ccccc1-c1ccc(C[N@H+](Cc2nc(N(C)C)no2)C(C)C)cc1 ZINC000410382234 823481999 /nfs/dbraw/zinc/48/19/99/823481999.db2.gz NSZNMIMOHVYXFP-UHFFFAOYSA-N 1 2 380.492 4.222 20 0 GIADLO COc1ccccc1-c1ccc(C[N@@H+](Cc2nc(N(C)C)no2)C(C)C)cc1 ZINC000410382234 823482003 /nfs/dbraw/zinc/48/20/03/823482003.db2.gz NSZNMIMOHVYXFP-UHFFFAOYSA-N 1 2 380.492 4.222 20 0 GIADLO Cc1cccc([C@H](CNc2ncnc3c4ccccc4oc32)[NH+]2CCOCC2)c1 ZINC000029626600 820487707 /nfs/dbraw/zinc/48/77/07/820487707.db2.gz NSUWSCWZKSTXCV-IBGZPJMESA-N 1 2 388.471 4.170 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1occc1COc1ccccc1 ZINC000029669310 820495742 /nfs/dbraw/zinc/49/57/42/820495742.db2.gz GXNUDNXKDGMRBX-UHFFFAOYSA-N 1 2 387.439 4.033 20 0 GIADLO Fc1ccc([C@@H]2C[C@H]2c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)c(F)c1 ZINC000573363348 823484742 /nfs/dbraw/zinc/48/47/42/823484742.db2.gz GQBJCDMSJNPNIT-RBUKOAKNSA-N 1 2 397.425 4.118 20 0 GIADLO CC(C)(C)[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000059269266 823488282 /nfs/dbraw/zinc/48/82/82/823488282.db2.gz LHECDHPHTZWYSE-JOCHJYFZSA-N 1 2 395.547 4.105 20 0 GIADLO Cc1ccc2c(C[N@@H+](C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc2c1C ZINC000030004420 820566476 /nfs/dbraw/zinc/56/64/76/820566476.db2.gz BJHKLCCIXPQGNC-INIZCTEOSA-N 1 2 399.512 4.006 20 0 GIADLO Cc1ccc2c(C[N@H+](C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc2c1C ZINC000030004420 820566484 /nfs/dbraw/zinc/56/64/84/820566484.db2.gz BJHKLCCIXPQGNC-INIZCTEOSA-N 1 2 399.512 4.006 20 0 GIADLO Cc1ccc(-c2nc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cs2)cc1 ZINC000030030241 820571824 /nfs/dbraw/zinc/57/18/24/820571824.db2.gz DOPHBCSHCKXVRC-FQEVSTJZSA-N 1 2 377.513 4.247 20 0 GIADLO Cc1ccc(-c2nc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cs2)cc1 ZINC000030030241 820571827 /nfs/dbraw/zinc/57/18/27/820571827.db2.gz DOPHBCSHCKXVRC-FQEVSTJZSA-N 1 2 377.513 4.247 20 0 GIADLO COc1ccccc1-c1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)no1 ZINC000030037887 820573325 /nfs/dbraw/zinc/57/33/25/820573325.db2.gz KXYUDZBFWBJHNG-UHFFFAOYSA-N 1 2 398.488 4.045 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000030218046 820588409 /nfs/dbraw/zinc/58/84/09/820588409.db2.gz PPGLFEMPCDAHMC-NSHDSACASA-N 1 2 385.689 4.463 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030218046 820588415 /nfs/dbraw/zinc/58/84/15/820588415.db2.gz PPGLFEMPCDAHMC-NSHDSACASA-N 1 2 385.689 4.463 20 0 GIADLO Cc1cccc(F)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189765626 823490446 /nfs/dbraw/zinc/49/04/46/823490446.db2.gz QAPDETUKJHENBY-FUHWJXTLSA-N 1 2 379.838 4.494 20 0 GIADLO Cc1cccc(F)c1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189765626 823490448 /nfs/dbraw/zinc/49/04/48/823490448.db2.gz QAPDETUKJHENBY-FUHWJXTLSA-N 1 2 379.838 4.494 20 0 GIADLO Cc1cccc(F)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189765610 823490621 /nfs/dbraw/zinc/49/06/21/823490621.db2.gz QAPDETUKJHENBY-SJLPKXTDSA-N 1 2 379.838 4.494 20 0 GIADLO Cc1cccc(F)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189765610 823490622 /nfs/dbraw/zinc/49/06/22/823490622.db2.gz QAPDETUKJHENBY-SJLPKXTDSA-N 1 2 379.838 4.494 20 0 GIADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000059390588 823495076 /nfs/dbraw/zinc/49/50/76/823495076.db2.gz IQMWMEBXMNWXKV-RVKKMQEKSA-N 1 2 379.342 4.091 20 0 GIADLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000059390588 823495078 /nfs/dbraw/zinc/49/50/78/823495078.db2.gz IQMWMEBXMNWXKV-RVKKMQEKSA-N 1 2 379.342 4.091 20 0 GIADLO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000177565004 823492482 /nfs/dbraw/zinc/49/24/82/823492482.db2.gz PPBCWCKVLQYIMB-LJQANCHMSA-N 1 2 388.511 4.092 20 0 GIADLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cccc(SCc2ccccc2)c1)C1CC1 ZINC000573432586 823492636 /nfs/dbraw/zinc/49/26/36/823492636.db2.gz VVCUCLIJOHFOPX-QGZVFWFLSA-N 1 2 389.586 4.376 20 0 GIADLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cccc(SCc2ccccc2)c1)C1CC1 ZINC000573432586 823492640 /nfs/dbraw/zinc/49/26/40/823492640.db2.gz VVCUCLIJOHFOPX-QGZVFWFLSA-N 1 2 389.586 4.376 20 0 GIADLO CC(=O)N(c1nc(C[NH2+]CCOCc2ccccc2)cs1)c1ccc(F)cc1 ZINC000177581822 823495711 /nfs/dbraw/zinc/49/57/11/823495711.db2.gz CKUAFVBOQFTDEP-UHFFFAOYSA-N 1 2 399.491 4.273 20 0 GIADLO COc1cc(OC)cc([C@@H]([NH2+]Cc2ccc3ccccc3c2)c2nccn2C)c1 ZINC000030649309 820657788 /nfs/dbraw/zinc/65/77/88/820657788.db2.gz GWLAYLKRKNVRIY-HSZRJFAPSA-N 1 2 387.483 4.470 20 0 GIADLO CC[N@H+](Cc1csc(CC(=O)NC)n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000177581801 823495744 /nfs/dbraw/zinc/49/57/44/823495744.db2.gz HJNBTXSIEHJIDU-LBPRGKRZSA-N 1 2 385.455 4.034 20 0 GIADLO CC[N@@H+](Cc1csc(CC(=O)NC)n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000177581801 823495748 /nfs/dbraw/zinc/49/57/48/823495748.db2.gz HJNBTXSIEHJIDU-LBPRGKRZSA-N 1 2 385.455 4.034 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000123327646 823496908 /nfs/dbraw/zinc/49/69/08/823496908.db2.gz RALRQQWSCRGZLW-NHYWBVRUSA-N 1 2 382.689 4.022 20 0 GIADLO Cc1cccc2nc(C3CC[NH+]([C@H](C)c4nnnn4-c4ccccc4)CC3)oc21 ZINC000189808846 823498549 /nfs/dbraw/zinc/49/85/49/823498549.db2.gz YGMZWZUKTMTEGY-MRXNPFEDSA-N 1 2 388.475 4.053 20 0 GIADLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+](C)Cc2cccs2)cs1 ZINC000030921461 820708936 /nfs/dbraw/zinc/70/89/36/820708936.db2.gz JODPGZVSNCGQIG-UHFFFAOYSA-N 1 2 383.542 4.201 20 0 GIADLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+](C)Cc2cccs2)cs1 ZINC000030921461 820708942 /nfs/dbraw/zinc/70/89/42/820708942.db2.gz JODPGZVSNCGQIG-UHFFFAOYSA-N 1 2 383.542 4.201 20 0 GIADLO COc1cccc(N2CC[NH+](Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC000030964012 820712223 /nfs/dbraw/zinc/71/22/23/820712223.db2.gz HQXQNDPUGSMLDP-UHFFFAOYSA-N 1 2 383.879 4.326 20 0 GIADLO Cc1cccc2nc(C3CC[NH+]([C@H](C)c4nc5ccccc5c(=O)[nH]4)CC3)oc21 ZINC000189815306 823500594 /nfs/dbraw/zinc/50/05/94/823500594.db2.gz UMDGDEUNBHENRY-OAHLLOKOSA-N 1 2 388.471 4.313 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)C[C@@H]1COc2ccccc2O1 ZINC000031173305 820759079 /nfs/dbraw/zinc/75/90/79/820759079.db2.gz LYRNQDICCHPGST-GOSISDBHSA-N 1 2 382.504 4.219 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)C[C@@H]1COc2ccccc2O1 ZINC000031173305 820759083 /nfs/dbraw/zinc/75/90/83/820759083.db2.gz LYRNQDICCHPGST-GOSISDBHSA-N 1 2 382.504 4.219 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)c1nnnn1C1CCCCC1 ZINC000189857605 823506749 /nfs/dbraw/zinc/50/67/49/823506749.db2.gz AECJVYNIILSQSK-QWHCGFSZSA-N 1 2 383.418 4.489 20 0 GIADLO CCC(CC)[C@H](C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000460770478 823507850 /nfs/dbraw/zinc/50/78/50/823507850.db2.gz RDTAPOCESNNCLX-KBXCAEBGSA-N 1 2 386.458 4.020 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000177656256 823508437 /nfs/dbraw/zinc/50/84/37/823508437.db2.gz KARQYQXXURJARG-LJQANCHMSA-N 1 2 395.547 4.349 20 0 GIADLO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000031890488 820870522 /nfs/dbraw/zinc/87/05/22/820870522.db2.gz HQXKYHQYRJEXEI-CQSZACIVSA-N 1 2 393.940 4.434 20 0 GIADLO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CC[NH+](Cc2ccsc2)CC1 ZINC000032448401 820946617 /nfs/dbraw/zinc/94/66/17/820946617.db2.gz KRYQZUSPRWDNQI-UHFFFAOYSA-N 1 2 379.529 4.066 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccccc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000177722879 823516857 /nfs/dbraw/zinc/51/68/57/823516857.db2.gz RUPAXZISOIDOIZ-MAUKXSAKSA-N 1 2 381.505 4.045 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1cccc(Cl)c1 ZINC000032510982 820963861 /nfs/dbraw/zinc/96/38/61/820963861.db2.gz DXGGMDNUXIYVLI-GOSISDBHSA-N 1 2 397.862 4.336 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1cccc(Cl)c1 ZINC000032510982 820963865 /nfs/dbraw/zinc/96/38/65/820963865.db2.gz DXGGMDNUXIYVLI-GOSISDBHSA-N 1 2 397.862 4.336 20 0 GIADLO COc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)CC3 ZINC000123550604 823520435 /nfs/dbraw/zinc/52/04/35/823520435.db2.gz RCXXSKAEMAETOG-QGZVFWFLSA-N 1 2 391.515 4.107 20 0 GIADLO C[C@H]1CC[C@@H](CSc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)O1 ZINC000189988498 823522249 /nfs/dbraw/zinc/52/22/49/823522249.db2.gz AAEACZMUILJZEM-YOEHRIQHSA-N 1 2 392.956 4.176 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Cc1cccc(F)c1 ZINC000060441895 823528266 /nfs/dbraw/zinc/52/82/66/823528266.db2.gz OWKKMEPBLLBVMW-UHFFFAOYSA-N 1 2 395.478 4.083 20 0 GIADLO C[C@@H]1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000123610995 823525471 /nfs/dbraw/zinc/52/54/71/823525471.db2.gz OMBBFNMKAOAHRZ-CRAIPNDOSA-N 1 2 376.460 4.139 20 0 GIADLO Cc1c(Cl)cccc1NC(=S)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000038287982 821095193 /nfs/dbraw/zinc/09/51/93/821095193.db2.gz BRDSOGROLQSCPX-UHFFFAOYSA-N 1 2 384.936 4.035 20 0 GIADLO CCCCc1ccc(NC(=S)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000038428129 821096094 /nfs/dbraw/zinc/09/60/94/821096094.db2.gz TXNZJUFGZXFMMS-QFIPXVFZSA-N 1 2 397.588 4.217 20 0 GIADLO CCCCc1ccc(NC(=S)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000038428129 821096099 /nfs/dbraw/zinc/09/60/99/821096099.db2.gz TXNZJUFGZXFMMS-QFIPXVFZSA-N 1 2 397.588 4.217 20 0 GIADLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)cc1Br)c1ccncc1 ZINC000190021157 823526923 /nfs/dbraw/zinc/52/69/23/823526923.db2.gz DIEYUNYWJQUGJU-QGZVFWFLSA-N 1 2 397.700 4.066 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000190059860 823532275 /nfs/dbraw/zinc/53/22/75/823532275.db2.gz VOJYWFSEHCTHKH-UHFFFAOYSA-N 1 2 389.927 4.183 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000190059860 823532279 /nfs/dbraw/zinc/53/22/79/823532279.db2.gz VOJYWFSEHCTHKH-UHFFFAOYSA-N 1 2 389.927 4.183 20 0 GIADLO CCN(C(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000060483083 823533010 /nfs/dbraw/zinc/53/30/10/823533010.db2.gz PJCFRTYOHYOEHI-UHFFFAOYSA-N 1 2 384.907 4.288 20 0 GIADLO Cc1ccc(C)c(N2CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC2)c1 ZINC000040945472 821165925 /nfs/dbraw/zinc/16/59/25/821165925.db2.gz QMRSDASDCPYSAP-UHFFFAOYSA-N 1 2 382.895 4.329 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](C)c3cccc(Cl)c3)CC2)c1 ZINC000460872477 823533538 /nfs/dbraw/zinc/53/35/38/823533538.db2.gz ACFWIDZOTDELAX-SJORKVTESA-N 1 2 386.923 4.358 20 0 GIADLO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460872959 823533792 /nfs/dbraw/zinc/53/37/92/823533792.db2.gz JVFJRFRTRWHNJM-CQSZACIVSA-N 1 2 377.410 4.256 20 0 GIADLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(OC(F)(F)F)c1 ZINC000177848065 823535765 /nfs/dbraw/zinc/53/57/65/823535765.db2.gz GVJXQHJAMLIPHT-KEYYUXOJSA-N 1 2 396.413 4.135 20 0 GIADLO COc1ccc(-c2nc(NC(=O)Cc3cn4cccc(C)c4[nH+]3)sc2C)cc1 ZINC000041304142 821181705 /nfs/dbraw/zinc/18/17/05/821181705.db2.gz AKQJADNNXCLNJX-UHFFFAOYSA-N 1 2 392.484 4.264 20 0 GIADLO COc1cc(OC)c(OC)cc1C[N@H+](Cc1ccn(C(C)C)n1)C(C)(C)C ZINC000177852579 823536577 /nfs/dbraw/zinc/53/65/77/823536577.db2.gz DPWKZMOKKWQHKH-UHFFFAOYSA-N 1 2 375.513 4.291 20 0 GIADLO COc1cc(OC)c(OC)cc1C[N@@H+](Cc1ccn(C(C)C)n1)C(C)(C)C ZINC000177852579 823536580 /nfs/dbraw/zinc/53/65/80/823536580.db2.gz DPWKZMOKKWQHKH-UHFFFAOYSA-N 1 2 375.513 4.291 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC2(c3ccc(F)cc3)CCCC2)c1C ZINC000060546980 823540841 /nfs/dbraw/zinc/54/08/41/823540841.db2.gz QTPMMVFUPMVFEM-UHFFFAOYSA-N 1 2 399.510 4.500 20 0 GIADLO Cc1ccc(C[C@@H](C)N(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000123748925 823536950 /nfs/dbraw/zinc/53/69/50/823536950.db2.gz NAFKENQQGZFLTG-LJQANCHMSA-N 1 2 376.504 4.012 20 0 GIADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460892916 823536951 /nfs/dbraw/zinc/53/69/51/823536951.db2.gz IPTSMJFLTJYMAE-UHFFFAOYSA-N 1 2 377.410 4.187 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(=S)n(C[N@H+](C3CC3)C3CCCC3)c2c1 ZINC000042094251 821264094 /nfs/dbraw/zinc/26/40/94/821264094.db2.gz FDJVTEDXASFNBT-UHFFFAOYSA-N 1 2 380.535 4.122 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](C3CC3)C3CCCC3)c2c1 ZINC000042094251 821264100 /nfs/dbraw/zinc/26/41/00/821264100.db2.gz FDJVTEDXASFNBT-UHFFFAOYSA-N 1 2 380.535 4.122 20 0 GIADLO CC(C)N(C)C(=O)C1CC[NH+](Cn2c3cc(Cl)ccc3oc2=S)CC1 ZINC000042095973 821264640 /nfs/dbraw/zinc/26/46/40/821264640.db2.gz NURHXXSDIPJFOX-UHFFFAOYSA-N 1 2 381.929 4.153 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1C ZINC000123781870 823540256 /nfs/dbraw/zinc/54/02/56/823540256.db2.gz XZOKCFPJJFPLBO-RDJZCZTQSA-N 1 2 393.487 4.426 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1C ZINC000123781870 823540258 /nfs/dbraw/zinc/54/02/58/823540258.db2.gz XZOKCFPJJFPLBO-RDJZCZTQSA-N 1 2 393.487 4.426 20 0 GIADLO CCOc1ccc([C@H](C)NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000042389791 821306455 /nfs/dbraw/zinc/30/64/55/821306455.db2.gz XYRKNZLOUWALDV-INIZCTEOSA-N 1 2 383.517 4.152 20 0 GIADLO COc1cccc([C@@H]2CCCN2C(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000042474771 821308707 /nfs/dbraw/zinc/30/87/07/821308707.db2.gz XIJNNQCVSWAVBC-FQEVSTJZSA-N 1 2 395.528 4.248 20 0 GIADLO CCCN(C(=O)NCCCn1cc[nH+]c1)[C@H](C)c1ccccc1Br ZINC000042897084 821342559 /nfs/dbraw/zinc/34/25/59/821342559.db2.gz RNIIYEORSOGXEG-OAHLLOKOSA-N 1 2 393.329 4.219 20 0 GIADLO CCCc1ccc([C@H](NC(=O)NCCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000042899130 821343262 /nfs/dbraw/zinc/34/32/62/821343262.db2.gz TYGRKTGFFFULOQ-FQEVSTJZSA-N 1 2 382.533 4.376 20 0 GIADLO C[C@@H](CCc1ccccc1)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042928792 821345519 /nfs/dbraw/zinc/34/55/19/821345519.db2.gz LJFQRQHVRQBZIB-SLFFLAALSA-N 1 2 395.547 4.439 20 0 GIADLO C[C@@H](CCc1ccccc1)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042928792 821345527 /nfs/dbraw/zinc/34/55/27/821345527.db2.gz LJFQRQHVRQBZIB-SLFFLAALSA-N 1 2 395.547 4.439 20 0 GIADLO CC[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccc2c(c1)OCCO2 ZINC000180635159 821377083 /nfs/dbraw/zinc/37/70/83/821377083.db2.gz NSFYGDATHOPIAU-INIZCTEOSA-N 1 2 385.851 4.402 20 0 GIADLO COc1cc(C[N@H+](C)Cc2nc3cc(Cl)ccc3n2C)ccc1OC(F)F ZINC000043272987 821384507 /nfs/dbraw/zinc/38/45/07/821384507.db2.gz PHZNYCNQVULPGK-UHFFFAOYSA-N 1 2 395.837 4.469 20 0 GIADLO COc1cc(C[N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)ccc1OC(F)F ZINC000043272987 821384517 /nfs/dbraw/zinc/38/45/17/821384517.db2.gz PHZNYCNQVULPGK-UHFFFAOYSA-N 1 2 395.837 4.469 20 0 GIADLO C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000043306513 821389073 /nfs/dbraw/zinc/38/90/73/821389073.db2.gz IYULAUPLWYMLIV-GUDVDZBRSA-N 1 2 381.520 4.221 20 0 GIADLO Cc1cccc(C)c1NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000043358278 821397044 /nfs/dbraw/zinc/39/70/44/821397044.db2.gz FUUQEULQAHBCNW-UHFFFAOYSA-N 1 2 387.911 4.185 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H]3c3ccncc3)n2)C1 ZINC000043546874 821424069 /nfs/dbraw/zinc/42/40/69/821424069.db2.gz JWMGXBPJOPTULK-MAUKXSAKSA-N 1 2 385.537 4.139 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H]3c3ccncc3)n2)C1 ZINC000043546874 821424074 /nfs/dbraw/zinc/42/40/74/821424074.db2.gz JWMGXBPJOPTULK-MAUKXSAKSA-N 1 2 385.537 4.139 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccc(F)c(F)c3)n2)C1 ZINC000043546726 821424110 /nfs/dbraw/zinc/42/41/10/821424110.db2.gz NWNMNWZMUGQNCG-CYBMUJFWSA-N 1 2 394.491 4.317 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccc(F)c(F)c3)n2)C1 ZINC000043546726 821424113 /nfs/dbraw/zinc/42/41/13/821424113.db2.gz NWNMNWZMUGQNCG-CYBMUJFWSA-N 1 2 394.491 4.317 20 0 GIADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180745826 821431033 /nfs/dbraw/zinc/43/10/33/821431033.db2.gz SWEXKOFFCZXHGD-UHFFFAOYSA-N 1 2 378.303 4.011 20 0 GIADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180745826 821431036 /nfs/dbraw/zinc/43/10/36/821431036.db2.gz SWEXKOFFCZXHGD-UHFFFAOYSA-N 1 2 378.303 4.011 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000043623031 821432156 /nfs/dbraw/zinc/43/21/56/821432156.db2.gz NCSUQRJQUSPQHF-UHFFFAOYSA-N 1 2 395.410 4.237 20 0 GIADLO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180752704 821434669 /nfs/dbraw/zinc/43/46/69/821434669.db2.gz IVNBBWRYIJIJRM-LJQANCHMSA-N 1 2 375.394 4.348 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ncc(-c2ccccc2)s1 ZINC000043636154 821434597 /nfs/dbraw/zinc/43/45/97/821434597.db2.gz CRAOSHIOFYHWBJ-UHFFFAOYSA-N 1 2 389.484 4.377 20 0 GIADLO O=C(CCSc1ccccc1Cl)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043752729 821453048 /nfs/dbraw/zinc/45/30/48/821453048.db2.gz KCQZMMIVCNWNFE-UHFFFAOYSA-N 1 2 399.947 4.426 20 0 GIADLO Cc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc(-n4cccn4)cc3)n2)ccc1F ZINC000180816322 821476449 /nfs/dbraw/zinc/47/64/49/821476449.db2.gz USNLBIKVQCSYGI-HNNXBMFYSA-N 1 2 377.423 4.221 20 0 GIADLO O=C(Nc1ccccc1OCC(F)(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000043959235 821495646 /nfs/dbraw/zinc/49/56/46/821495646.db2.gz AWFABEKGRAZQIV-UHFFFAOYSA-N 1 2 399.438 4.039 20 0 GIADLO CC(C)([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(F)c(F)c1 ZINC000180858176 821498204 /nfs/dbraw/zinc/49/82/04/821498204.db2.gz QXJBHZAFUWFRLC-UHFFFAOYSA-N 1 2 383.320 4.457 20 0 GIADLO COc1cccc2[nH]cc(CC(=O)Nc3nc(C[NH+]4CCC(C)CC4)cs3)c21 ZINC000180875583 821507550 /nfs/dbraw/zinc/50/75/50/821507550.db2.gz IMASPMOQVZRQII-UHFFFAOYSA-N 1 2 398.532 4.046 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cc(-c2cccnc2)on1 ZINC000044567079 821609719 /nfs/dbraw/zinc/60/97/19/821609719.db2.gz JGZVQHHEDSABPO-UHFFFAOYSA-N 1 2 385.427 4.189 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc2c(c1)OCCCO2 ZINC000044567744 821610540 /nfs/dbraw/zinc/61/05/40/821610540.db2.gz PVQPLJBXAVJNBH-UHFFFAOYSA-N 1 2 389.455 4.300 20 0 GIADLO COc1cccc(CCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000044568671 821611049 /nfs/dbraw/zinc/61/10/49/821611049.db2.gz MQAIVWADGZCYPP-UHFFFAOYSA-N 1 2 375.472 4.466 20 0 GIADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Br)cc1 ZINC000044846141 821671547 /nfs/dbraw/zinc/67/15/47/821671547.db2.gz ADWTUQIUNOPIOM-AWEZNQCLSA-N 1 2 384.277 4.185 20 0 GIADLO C[C@@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccoc1 ZINC000181193599 821689117 /nfs/dbraw/zinc/68/91/17/821689117.db2.gz GRTITVJZCADHSC-ZUOKHONESA-N 1 2 391.439 4.402 20 0 GIADLO Brc1ccc(-c2nnc(C[N@H+](Cc3cccs3)C3CC3)o2)o1 ZINC000045007086 821689625 /nfs/dbraw/zinc/68/96/25/821689625.db2.gz HVZLUBUKPFDRJI-UHFFFAOYSA-N 1 2 380.267 4.318 20 0 GIADLO Brc1ccc(-c2nnc(C[N@@H+](Cc3cccs3)C3CC3)o2)o1 ZINC000045007086 821689634 /nfs/dbraw/zinc/68/96/34/821689634.db2.gz HVZLUBUKPFDRJI-UHFFFAOYSA-N 1 2 380.267 4.318 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1nc(-c2ccccc2)no1 ZINC000181298374 821742609 /nfs/dbraw/zinc/74/26/09/821742609.db2.gz NASPMXXHLFLKLH-LSDHHAIUSA-N 1 2 378.432 4.105 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)o2)cc1 ZINC000181320761 821757400 /nfs/dbraw/zinc/75/74/00/821757400.db2.gz ZTFXWFMKZMCERI-HZPDHXFCSA-N 1 2 392.459 4.413 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nc(Cc2ccccc2)no1)c1cccc(N2CCOC2=O)c1 ZINC000181334765 821766560 /nfs/dbraw/zinc/76/65/60/821766560.db2.gz NQKWRPBNPXYHNU-CVEARBPZSA-N 1 2 392.459 4.029 20 0 GIADLO C[C@@H](NC(=O)C[N@H+](Cc1ccccn1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000181355060 821783132 /nfs/dbraw/zinc/78/31/32/821783132.db2.gz QWOOYSLNFDYDQW-CYBMUJFWSA-N 1 2 378.303 4.230 20 0 GIADLO C[C@@H](NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000181355060 821783138 /nfs/dbraw/zinc/78/31/38/821783138.db2.gz QWOOYSLNFDYDQW-CYBMUJFWSA-N 1 2 378.303 4.230 20 0 GIADLO Cc1cccc(-c2noc(C[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)n2)c1 ZINC000181387825 821800004 /nfs/dbraw/zinc/80/00/04/821800004.db2.gz YFZOFKCWKQSBRP-INIZCTEOSA-N 1 2 376.460 4.023 20 0 GIADLO C[C@@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1cccc(N2CCCC2=O)c1 ZINC000181400632 821807274 /nfs/dbraw/zinc/80/72/74/821807274.db2.gz AJEGWJJWGHQCKG-OAHLLOKOSA-N 1 2 379.435 4.458 20 0 GIADLO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H](C)c3cccc(Cl)c3)cs2)c1C ZINC000181409563 821810842 /nfs/dbraw/zinc/81/08/42/821810842.db2.gz SMFSQVGMCRREHM-CYBMUJFWSA-N 1 2 388.924 4.025 20 0 GIADLO Nc1nc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)nc2ccccc12 ZINC000181422110 821818360 /nfs/dbraw/zinc/81/83/60/821818360.db2.gz UTVCTCVYTNSVEV-IBGZPJMESA-N 1 2 390.512 4.009 20 0 GIADLO Nc1nc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)nc2ccccc12 ZINC000181422110 821818371 /nfs/dbraw/zinc/81/83/71/821818371.db2.gz UTVCTCVYTNSVEV-IBGZPJMESA-N 1 2 390.512 4.009 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)CCCc3ccccc3Br)[nH+]c12 ZINC000181435124 821826000 /nfs/dbraw/zinc/82/60/00/821826000.db2.gz KSDPDMNMNXXKPV-QHCPKHFHSA-N 1 2 391.334 4.287 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1cccc(N2CCCC2=O)c1 ZINC000181439174 821827577 /nfs/dbraw/zinc/82/75/77/821827577.db2.gz LZJPZZIWZWUNLD-CQSZACIVSA-N 1 2 396.878 4.368 20 0 GIADLO C[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)c1ccc(Cl)cc1 ZINC000181478770 821844102 /nfs/dbraw/zinc/84/41/02/821844102.db2.gz NWZAJJXZJYBWIA-AWEZNQCLSA-N 1 2 399.853 4.190 20 0 GIADLO CC[C@@H](C)Oc1cc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000181486057 821847392 /nfs/dbraw/zinc/84/73/92/821847392.db2.gz VPNXCFAKVQYLAM-GOSISDBHSA-N 1 2 396.535 4.033 20 0 GIADLO CCc1nc2ccccc2n1C1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181536229 821872084 /nfs/dbraw/zinc/87/20/84/821872084.db2.gz NFXQWZNLGIAOCR-UHFFFAOYSA-N 1 2 390.535 4.240 20 0 GIADLO COc1ccc2[nH]cc(C3CC[NH+](Cc4ncn(-c5ccccc5)n4)CC3)c2c1 ZINC000181547391 821875865 /nfs/dbraw/zinc/87/58/65/821875865.db2.gz BFPRBZSMKDZZHM-UHFFFAOYSA-N 1 2 387.487 4.137 20 0 GIADLO COc1ccc([C@H](CO)[N@H+](C)Cc2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000181701701 821949838 /nfs/dbraw/zinc/94/98/38/821949838.db2.gz SCIICXHBANDJQV-SFHVURJKSA-N 1 2 390.455 4.262 20 0 GIADLO COc1ccc([C@H](CO)[N@@H+](C)Cc2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000181701701 821949845 /nfs/dbraw/zinc/94/98/45/821949845.db2.gz SCIICXHBANDJQV-SFHVURJKSA-N 1 2 390.455 4.262 20 0 GIADLO C[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1c(F)cccc1Cl ZINC000181732879 821966730 /nfs/dbraw/zinc/96/67/30/821966730.db2.gz TXDFKHONFLBEQV-NSHDSACASA-N 1 2 377.872 4.402 20 0 GIADLO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)c1 ZINC000181746547 821973940 /nfs/dbraw/zinc/97/39/40/821973940.db2.gz LGYMUWFQIFIRHC-OLZOCXBDSA-N 1 2 394.874 4.024 20 0 GIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(F)(F)F)cc1Cl ZINC000181844060 822014854 /nfs/dbraw/zinc/01/48/54/822014854.db2.gz LZJWOQNRRXRBIQ-UHFFFAOYSA-N 1 2 398.812 4.443 20 0 GIADLO C[C@H]([NH2+]Cc1nc(COc2ccc(F)cc2)no1)c1cccc(N2CCCC2)c1 ZINC000181888870 822027658 /nfs/dbraw/zinc/02/76/58/822027658.db2.gz RWEDADSLSITSQX-INIZCTEOSA-N 1 2 396.466 4.239 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000181976652 822050929 /nfs/dbraw/zinc/05/09/29/822050929.db2.gz KNGYPPLDLOYTFI-HSZRJFAPSA-N 1 2 393.487 4.227 20 0 GIADLO CC(C)CO[C@H](C)c1noc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000181980810 822051691 /nfs/dbraw/zinc/05/16/91/822051691.db2.gz PPTDTEVJGUEVGJ-QRWLVFNGSA-N 1 2 389.496 4.061 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1F ZINC000181997348 822057656 /nfs/dbraw/zinc/05/76/56/822057656.db2.gz YRAKDQURAXSLFI-SECBINFHSA-N 1 2 381.329 4.152 20 0 GIADLO CC(C)c1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(-n4ccnn4)cc3)n2)cc1 ZINC000182003956 822059196 /nfs/dbraw/zinc/05/91/96/822059196.db2.gz IBINMRCQTJZHIV-MRXNPFEDSA-N 1 2 388.475 4.292 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2csc(CC(=O)Nc3ccccc3)n2)cc1F ZINC000182011124 822061292 /nfs/dbraw/zinc/06/12/92/822061292.db2.gz RSRZYVUZOYOOSR-AWEZNQCLSA-N 1 2 399.491 4.323 20 0 GIADLO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000182014072 822062685 /nfs/dbraw/zinc/06/26/85/822062685.db2.gz RCCAMKUPXMGDOX-LSDHHAIUSA-N 1 2 385.439 4.346 20 0 GIADLO C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1cn(-c2ccccc2)nn1 ZINC000182142115 822114873 /nfs/dbraw/zinc/11/48/73/822114873.db2.gz HXFXJPHWFYBIEY-MRXNPFEDSA-N 1 2 378.476 4.073 20 0 GIADLO COC(=O)c1occc1C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000182194188 822141090 /nfs/dbraw/zinc/14/10/90/822141090.db2.gz DPEKNLHVRFYYID-LJQANCHMSA-N 1 2 393.418 4.086 20 0 GIADLO O=C(NCc1ccncc1)Nc1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000182206418 822146719 /nfs/dbraw/zinc/14/67/19/822146719.db2.gz DAFLVUXYEMYIRB-UHFFFAOYSA-N 1 2 396.878 4.052 20 0 GIADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000182379967 822222245 /nfs/dbraw/zinc/22/22/45/822222245.db2.gz FLZFLKFYFUEYGY-QGZVFWFLSA-N 1 2 391.306 4.251 20 0 GIADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000182379967 822222251 /nfs/dbraw/zinc/22/22/51/822222251.db2.gz FLZFLKFYFUEYGY-QGZVFWFLSA-N 1 2 391.306 4.251 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3CC[C@H](c4ccccc4)C3)s2)cc1 ZINC000182419112 822235580 /nfs/dbraw/zinc/23/55/80/822235580.db2.gz KKURVMVJAYIUBH-KRWDZBQOSA-N 1 2 378.501 4.088 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3CC[C@H](c4ccccc4)C3)s2)cc1 ZINC000182419112 822235586 /nfs/dbraw/zinc/23/55/86/822235586.db2.gz KKURVMVJAYIUBH-KRWDZBQOSA-N 1 2 378.501 4.088 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)s2)cc1 ZINC000182503404 822271321 /nfs/dbraw/zinc/27/13/21/822271321.db2.gz NGMIQFGKVCRIHJ-SFHVURJKSA-N 1 2 392.528 4.163 20 0 GIADLO Cc1ccc(NC(=O)c2nnc(C[N@H+]3CC[C@@H](Cc4ccccc4)C3)s2)cc1 ZINC000182503404 822271328 /nfs/dbraw/zinc/27/13/28/822271328.db2.gz NGMIQFGKVCRIHJ-SFHVURJKSA-N 1 2 392.528 4.163 20 0 GIADLO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCc1ccn2cc[nH+]c2c1 ZINC000178066526 822307377 /nfs/dbraw/zinc/30/73/77/822307377.db2.gz XNNAUJUNSSOQJV-UHFFFAOYSA-N 1 2 388.905 4.032 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cccnc1SCc1ccc(F)cc1 ZINC000178070728 822308690 /nfs/dbraw/zinc/30/86/90/822308690.db2.gz NZTYUUJRDMGSHO-UHFFFAOYSA-N 1 2 392.459 4.091 20 0 GIADLO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178073176 822309160 /nfs/dbraw/zinc/30/91/60/822309160.db2.gz GMYMERUXMIRDHT-UHFFFAOYSA-N 1 2 390.390 4.201 20 0 GIADLO O=C(Nc1ccccc1)c1nnc(C[NH2+][C@H](c2ccccc2)C2CCC2)s1 ZINC000182597045 822316995 /nfs/dbraw/zinc/31/69/95/822316995.db2.gz WEJRMKIRHHWMFW-LJQANCHMSA-N 1 2 378.501 4.421 20 0 GIADLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000178108419 822322817 /nfs/dbraw/zinc/32/28/17/822322817.db2.gz NCHOXKNWGMYEBT-NSHDSACASA-N 1 2 380.279 4.360 20 0 GIADLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000178108419 822322828 /nfs/dbraw/zinc/32/28/28/822322828.db2.gz NCHOXKNWGMYEBT-NSHDSACASA-N 1 2 380.279 4.360 20 0 GIADLO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000182626047 822328024 /nfs/dbraw/zinc/32/80/24/822328024.db2.gz ARXYHGOCUOBQOJ-JKSUJKDBSA-N 1 2 392.507 4.396 20 0 GIADLO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178174035 822341834 /nfs/dbraw/zinc/34/18/34/822341834.db2.gz IFNNETIDHDRRCY-UHFFFAOYSA-N 1 2 399.454 4.217 20 0 GIADLO O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000178192499 822348265 /nfs/dbraw/zinc/34/82/65/822348265.db2.gz QTZAKTHGQMZBCA-UHFFFAOYSA-N 1 2 381.379 4.037 20 0 GIADLO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000178219283 822355057 /nfs/dbraw/zinc/35/50/57/822355057.db2.gz JOFNLSXWGBQAQS-SSZFMOIBSA-N 1 2 395.812 4.030 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccn(-c3ccccc3Cl)n2)c1C ZINC000178232651 822356954 /nfs/dbraw/zinc/35/69/54/822356954.db2.gz RFCWCLSJFOMEIL-UHFFFAOYSA-N 1 2 399.882 4.210 20 0 GIADLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1OC1CCCC1 ZINC000045081081 822361707 /nfs/dbraw/zinc/36/17/07/822361707.db2.gz ZZPYEDPJWGISOQ-UHFFFAOYSA-N 1 2 377.444 4.455 20 0 GIADLO Cc1c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cnn1C ZINC000178303587 822365462 /nfs/dbraw/zinc/36/54/62/822365462.db2.gz PQXSRPRZGZECBP-NRFANRHFSA-N 1 2 383.879 4.032 20 0 GIADLO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178351378 822370328 /nfs/dbraw/zinc/37/03/28/822370328.db2.gz FFQICVGTBONWIH-UHFFFAOYSA-N 1 2 384.798 4.020 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3cc(-c4cccs4)on3)C2)n1 ZINC000182806644 822370720 /nfs/dbraw/zinc/37/07/20/822370720.db2.gz IBXAGEJDWRZTGA-ZDUSSCGKSA-N 1 2 382.411 4.456 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3cc(-c4cccs4)on3)C2)n1 ZINC000182806644 822370725 /nfs/dbraw/zinc/37/07/25/822370725.db2.gz IBXAGEJDWRZTGA-ZDUSSCGKSA-N 1 2 382.411 4.456 20 0 GIADLO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1cc(Cl)cc2cccnc21)c1ccccc1 ZINC000178371254 822372228 /nfs/dbraw/zinc/37/22/28/822372228.db2.gz VXUBEJNUBYTUIP-SFTDATJTSA-N 1 2 382.891 4.213 20 0 GIADLO O[C@@H](C[C@H]1COCC[N@H+]1Cc1cc(Cl)cc2cccnc21)c1ccccc1 ZINC000178371254 822372232 /nfs/dbraw/zinc/37/22/32/822372232.db2.gz VXUBEJNUBYTUIP-SFTDATJTSA-N 1 2 382.891 4.213 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(F)c1 ZINC000182836147 822375469 /nfs/dbraw/zinc/37/54/69/822375469.db2.gz LCMIEXWXCXURJO-KGLIPLIRSA-N 1 2 398.404 4.014 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(F)c1 ZINC000182836147 822375472 /nfs/dbraw/zinc/37/54/72/822375472.db2.gz LCMIEXWXCXURJO-KGLIPLIRSA-N 1 2 398.404 4.014 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cc(F)cc(F)c2)cc1 ZINC000045294181 822376675 /nfs/dbraw/zinc/37/66/75/822376675.db2.gz CCSWUYUICZZZMK-UHFFFAOYSA-N 1 2 399.441 4.293 20 0 GIADLO Cc1cc(Br)c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)s1 ZINC000453557107 822384855 /nfs/dbraw/zinc/38/48/55/822384855.db2.gz BJQHDPHEGOPJJA-UHFFFAOYSA-N 1 2 379.323 4.083 20 0 GIADLO Cc1cc(Br)c(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)s1 ZINC000453557107 822384860 /nfs/dbraw/zinc/38/48/60/822384860.db2.gz BJQHDPHEGOPJJA-UHFFFAOYSA-N 1 2 379.323 4.083 20 0 GIADLO Cc1cc(Br)c(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)s1 ZINC000453573484 822386344 /nfs/dbraw/zinc/38/63/44/822386344.db2.gz PPUCFQRZRYHDST-GFCCVEGCSA-N 1 2 377.311 4.251 20 0 GIADLO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)N1CCc2ccccc2C1 ZINC000045471222 822389316 /nfs/dbraw/zinc/38/93/16/822389316.db2.gz YOPWSEIILQNDHU-QFIPXVFZSA-N 1 2 394.565 4.342 20 0 GIADLO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)N1CCc2ccccc2C1 ZINC000045471222 822389320 /nfs/dbraw/zinc/38/93/20/822389320.db2.gz YOPWSEIILQNDHU-QFIPXVFZSA-N 1 2 394.565 4.342 20 0 GIADLO COc1ccc([C@@H](C)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cn1cccn1 ZINC000182910014 822390912 /nfs/dbraw/zinc/39/09/12/822390912.db2.gz FOOHBRNLECZTRD-MRXNPFEDSA-N 1 2 391.450 4.438 20 0 GIADLO CC[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1OCC(=O)N(C)C ZINC000182912425 822391277 /nfs/dbraw/zinc/39/12/77/822391277.db2.gz TYVHWENPKOAHCX-IBGZPJMESA-N 1 2 396.466 4.042 20 0 GIADLO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000182912475 822391582 /nfs/dbraw/zinc/39/15/82/822391582.db2.gz FNFSPEVHNOSECX-AWEZNQCLSA-N 1 2 379.439 4.468 20 0 GIADLO CC(C)[C@@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000182916967 822392347 /nfs/dbraw/zinc/39/23/47/822392347.db2.gz AYDKKVLUPRLVJG-MAUKXSAKSA-N 1 2 378.879 4.247 20 0 GIADLO COCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000453616017 822393568 /nfs/dbraw/zinc/39/35/68/822393568.db2.gz RPBOQBURDAEXDP-LJQANCHMSA-N 1 2 391.309 4.206 20 0 GIADLO COCCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000453616017 822393570 /nfs/dbraw/zinc/39/35/70/822393570.db2.gz RPBOQBURDAEXDP-LJQANCHMSA-N 1 2 391.309 4.206 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@H]1c1ccsc1 ZINC000045532778 822394115 /nfs/dbraw/zinc/39/41/15/822394115.db2.gz FHYGWYZLKBDMOZ-IBGZPJMESA-N 1 2 380.517 4.082 20 0 GIADLO CN(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000045532072 822394165 /nfs/dbraw/zinc/39/41/65/822394165.db2.gz COKOGDDKSRJVPL-QFIPXVFZSA-N 1 2 388.515 4.193 20 0 GIADLO COc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2cccnc2Cl)c1 ZINC000178619001 822396832 /nfs/dbraw/zinc/39/68/32/822396832.db2.gz OPUMVOPAEAINBD-NRFANRHFSA-N 1 2 382.891 4.479 20 0 GIADLO COc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cccnc2Cl)c1 ZINC000178619001 822396837 /nfs/dbraw/zinc/39/68/37/822396837.db2.gz OPUMVOPAEAINBD-NRFANRHFSA-N 1 2 382.891 4.479 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CCSc2ccc(F)cc21 ZINC000045606148 822399555 /nfs/dbraw/zinc/39/95/55/822399555.db2.gz VZIJZHGWCWXJCC-IBGZPJMESA-N 1 2 396.491 4.107 20 0 GIADLO C[N@H+](Cc1ncc(-c2ccccc2)s1)Cc1ccccc1N1CCOCC1 ZINC000178673247 822401612 /nfs/dbraw/zinc/40/16/12/822401612.db2.gz PGZBHIDWMZYEJA-UHFFFAOYSA-N 1 2 379.529 4.279 20 0 GIADLO C[N@@H+](Cc1ncc(-c2ccccc2)s1)Cc1ccccc1N1CCOCC1 ZINC000178673247 822401614 /nfs/dbraw/zinc/40/16/14/822401614.db2.gz PGZBHIDWMZYEJA-UHFFFAOYSA-N 1 2 379.529 4.279 20 0 GIADLO CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045634712 822401714 /nfs/dbraw/zinc/40/17/14/822401714.db2.gz PFFXMPTTZPANCE-UHFFFAOYSA-N 1 2 392.425 4.042 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3sccc3C)CC2)c1 ZINC000178682923 822402473 /nfs/dbraw/zinc/40/24/73/822402473.db2.gz QIXFSYHSVYJICM-DBVUQKKJSA-N 1 2 384.545 4.074 20 0 GIADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178803549 822412037 /nfs/dbraw/zinc/41/20/37/822412037.db2.gz FIHVUZFOFKNCAD-YDBLSZJJSA-N 1 2 399.343 4.190 20 0 GIADLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178803549 822412039 /nfs/dbraw/zinc/41/20/39/822412039.db2.gz FIHVUZFOFKNCAD-YDBLSZJJSA-N 1 2 399.343 4.190 20 0 GIADLO CCOc1ccc(-c2nc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)co2)cc1 ZINC000178862743 822417261 /nfs/dbraw/zinc/41/72/61/822417261.db2.gz YENRPTATQKJNDT-HNNXBMFYSA-N 1 2 389.496 4.085 20 0 GIADLO CCOc1ccc(-c2nc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)co2)cc1 ZINC000178862743 822417266 /nfs/dbraw/zinc/41/72/66/822417266.db2.gz YENRPTATQKJNDT-HNNXBMFYSA-N 1 2 389.496 4.085 20 0 GIADLO CC(=O)N1CCC[N@@H+]([C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000178881896 822418763 /nfs/dbraw/zinc/41/87/63/822418763.db2.gz ORAHXBDAPMSTMC-GFCCVEGCSA-N 1 2 382.291 4.264 20 0 GIADLO CC(=O)N1CCC[N@H+]([C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000178881896 822418766 /nfs/dbraw/zinc/41/87/66/822418766.db2.gz ORAHXBDAPMSTMC-GFCCVEGCSA-N 1 2 382.291 4.264 20 0 GIADLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000183065926 822419645 /nfs/dbraw/zinc/41/96/45/822419645.db2.gz ZERZOUCESYQRRA-GJZGRUSLSA-N 1 2 385.439 4.346 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000045911933 822423236 /nfs/dbraw/zinc/42/32/36/822423236.db2.gz FEMPGWFEARBSLK-SJORKVTESA-N 1 2 395.484 4.449 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000045911933 822423237 /nfs/dbraw/zinc/42/32/37/822423237.db2.gz FEMPGWFEARBSLK-SJORKVTESA-N 1 2 395.484 4.449 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000179000032 822428153 /nfs/dbraw/zinc/42/81/53/822428153.db2.gz QFOLMLIZACLFPM-GOTSBHOMSA-N 1 2 389.499 4.381 20 0 GIADLO C[S@](=O)C[C@H]([NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccccc1 ZINC000183129351 822428150 /nfs/dbraw/zinc/42/81/50/822428150.db2.gz LPCNFWIZCQMGEX-VPYPWEPUSA-N 1 2 392.524 4.076 20 0 GIADLO C[S@](=O)C[C@@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccccc1 ZINC000183133975 822428782 /nfs/dbraw/zinc/42/87/82/822428782.db2.gz GLCUFAZCKHJWSN-IBVKSMDESA-N 1 2 384.570 4.138 20 0 GIADLO COc1ccccc1-c1nc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cs1 ZINC000183156335 822432879 /nfs/dbraw/zinc/43/28/79/822432879.db2.gz LIVORHWYHDIFSE-QYBDOPJKSA-N 1 2 386.542 4.028 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(CCC(F)(F)F)cc1 ZINC000179067228 822434757 /nfs/dbraw/zinc/43/47/57/822434757.db2.gz AVEUIVZXYYQTBF-UHFFFAOYSA-N 1 2 387.405 4.356 20 0 GIADLO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000179067281 822434879 /nfs/dbraw/zinc/43/48/79/822434879.db2.gz BFRUYWDFNPYCBQ-UHFFFAOYSA-N 1 2 378.863 4.305 20 0 GIADLO CCN(Cc1cccc(Cl)c1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019589 822435585 /nfs/dbraw/zinc/43/55/85/822435585.db2.gz OZCPPMSWRDRKOV-UHFFFAOYSA-N 1 2 382.895 4.317 20 0 GIADLO COc1ccc([C@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1Br ZINC000454182341 822436471 /nfs/dbraw/zinc/43/64/71/822436471.db2.gz NGZCKPJVLZFTPG-ZDUSSCGKSA-N 1 2 392.297 4.030 20 0 GIADLO FC(F)n1c2ccccc2nc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183180360 822436575 /nfs/dbraw/zinc/43/65/75/822436575.db2.gz IHDKUBDIPJCJOA-UHFFFAOYSA-N 1 2 399.367 4.484 20 0 GIADLO O=C(C1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1)N1CCCCC1 ZINC000046055714 822438122 /nfs/dbraw/zinc/43/81/22/822438122.db2.gz MTGQKQUSRAOLEH-UHFFFAOYSA-N 1 2 375.582 4.415 20 0 GIADLO CC(C)(C)O[C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000179126232 822441132 /nfs/dbraw/zinc/44/11/32/822441132.db2.gz QVFHFDJHJCGILN-NRFANRHFSA-N 1 2 377.488 4.104 20 0 GIADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000046099450 822441147 /nfs/dbraw/zinc/44/11/47/822441147.db2.gz XGXMCPKPOXCQMH-LJQANCHMSA-N 1 2 391.515 4.447 20 0 GIADLO O=C(CCOc1ccccc1Cl)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000046145357 822444029 /nfs/dbraw/zinc/44/40/29/822444029.db2.gz JWVWHOSKOGVXPY-UHFFFAOYSA-N 1 2 379.913 4.190 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454300645 822454330 /nfs/dbraw/zinc/45/43/30/822454330.db2.gz JVPTXRDRBVTZOF-OAQYLSRUSA-N 1 2 390.487 4.004 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000183294348 822454408 /nfs/dbraw/zinc/45/44/08/822454408.db2.gz VUFGXEMONOVKIK-UHFFFAOYSA-N 1 2 396.384 4.284 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000183294348 822454413 /nfs/dbraw/zinc/45/44/13/822454413.db2.gz VUFGXEMONOVKIK-UHFFFAOYSA-N 1 2 396.384 4.284 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCOc4c(F)cccc43)cn2c1 ZINC000183321963 822458712 /nfs/dbraw/zinc/45/87/12/822458712.db2.gz OWBCVNJRJPAZBZ-GOSISDBHSA-N 1 2 399.491 4.045 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000454330497 822458912 /nfs/dbraw/zinc/45/89/12/822458912.db2.gz IZIBSRHGJBHSIQ-JOCHJYFZSA-N 1 2 390.531 4.377 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(Cl)cc2F)C[C@H](C)O1 ZINC000046342672 822463585 /nfs/dbraw/zinc/46/35/85/822463585.db2.gz WOGNGDFCGVJKLE-KBPBESRZSA-N 1 2 376.859 4.341 20 0 GIADLO C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000179320206 822465687 /nfs/dbraw/zinc/46/56/87/822465687.db2.gz KWQJIBCMVIANLG-MBSDFSHPSA-N 1 2 388.515 4.097 20 0 GIADLO C[C@H](c1ccncc1)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179322659 822465945 /nfs/dbraw/zinc/46/59/45/822465945.db2.gz HQSLUBQSUPDOCP-ZNZDAUKMSA-N 1 2 390.890 4.022 20 0 GIADLO C[C@H](c1ccncc1)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179322659 822465947 /nfs/dbraw/zinc/46/59/47/822465947.db2.gz HQSLUBQSUPDOCP-ZNZDAUKMSA-N 1 2 390.890 4.022 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2csc(Cc3ccc(C)cc3)n2)c1C ZINC000179347730 822469204 /nfs/dbraw/zinc/46/92/04/822469204.db2.gz BKCZSFZFPNZOCB-UHFFFAOYSA-N 1 2 395.528 4.335 20 0 GIADLO C[C@@H](c1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1)C(F)(F)F ZINC000454432025 822474787 /nfs/dbraw/zinc/47/47/87/822474787.db2.gz LYJFUWOMHUFHRH-AWEZNQCLSA-N 1 2 377.410 4.278 20 0 GIADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)cc1Br ZINC000046468091 822475960 /nfs/dbraw/zinc/47/59/60/822475960.db2.gz VDMNLJQAZNLZBD-AWEZNQCLSA-N 1 2 383.265 4.021 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cnc([C@H]2CCCO2)s1 ZINC000179404907 822478014 /nfs/dbraw/zinc/47/80/14/822478014.db2.gz KGWHDINAPUPBJI-QGZVFWFLSA-N 1 2 394.500 4.447 20 0 GIADLO Fc1ccc([C@H]2C[N@H+](Cc3ccccc3OCc3ccccn3)CCO2)cc1 ZINC000179427590 822481036 /nfs/dbraw/zinc/48/10/36/822481036.db2.gz ZRDPJLHHPQCIRA-HSZRJFAPSA-N 1 2 378.447 4.373 20 0 GIADLO Fc1ccc([C@H]2C[N@@H+](Cc3ccccc3OCc3ccccn3)CCO2)cc1 ZINC000179427590 822481038 /nfs/dbraw/zinc/48/10/38/822481038.db2.gz ZRDPJLHHPQCIRA-HSZRJFAPSA-N 1 2 378.447 4.373 20 0 GIADLO O=C(CCn1ccc2cc(Cl)ccc21)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000179436663 822482535 /nfs/dbraw/zinc/48/25/35/822482535.db2.gz KRJPKKXWKSYJAB-UHFFFAOYSA-N 1 2 392.890 4.246 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)C[C@H](C)O1 ZINC000454492881 822484334 /nfs/dbraw/zinc/48/43/34/822484334.db2.gz ACJZMBWJFMDYFZ-RXFWMCMASA-N 1 2 397.563 4.196 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)C[C@H](C)O1 ZINC000454492881 822484335 /nfs/dbraw/zinc/48/43/35/822484335.db2.gz ACJZMBWJFMDYFZ-RXFWMCMASA-N 1 2 397.563 4.196 20 0 GIADLO CCC(CC)n1nc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1C ZINC000183527812 822490213 /nfs/dbraw/zinc/49/02/13/822490213.db2.gz MHZYJIJGUGDSAO-UHFFFAOYSA-N 1 2 383.540 4.258 20 0 GIADLO CC(C)(C)c1ccc2cc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)[nH]c2c1 ZINC000046620417 822494068 /nfs/dbraw/zinc/49/40/68/822494068.db2.gz SYZJORBVDIEYSW-UHFFFAOYSA-N 1 2 376.504 4.259 20 0 GIADLO Cc1cccc([C@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccn2)c1 ZINC000179533334 822498674 /nfs/dbraw/zinc/49/86/74/822498674.db2.gz LTJZXLTZQQYUCJ-VGSWGCGISA-N 1 2 380.513 4.234 20 0 GIADLO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000179534209 822498836 /nfs/dbraw/zinc/49/88/36/822498836.db2.gz VVLOPWWLDITRSZ-AWEZNQCLSA-N 1 2 381.432 4.103 20 0 GIADLO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000183597098 822499140 /nfs/dbraw/zinc/49/91/40/822499140.db2.gz CDKZBOSCGHHMJR-YVEFUNNKSA-N 1 2 387.277 4.381 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)s1 ZINC000183609067 822500800 /nfs/dbraw/zinc/50/08/00/822500800.db2.gz MEEPTOAHHPAXNS-UHFFFAOYSA-N 1 2 397.466 4.173 20 0 GIADLO O=C1CCCN1C[C@H]([NH2+]Cc1csc(Nc2ccccc2)n1)c1ccccc1 ZINC000179550273 822501748 /nfs/dbraw/zinc/50/17/48/822501748.db2.gz QXCSKVHMQBMZMQ-FQEVSTJZSA-N 1 2 392.528 4.340 20 0 GIADLO O=C1CCCN1C[C@H]([NH2+]Cc1csc(Cc2ccccc2)n1)c1ccccc1 ZINC000179550773 822501785 /nfs/dbraw/zinc/50/17/85/822501785.db2.gz ZFGMXLWLAHLZEJ-NRFANRHFSA-N 1 2 391.540 4.187 20 0 GIADLO O=C(Nc1cccc(COCc2ccco2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000046675761 822502906 /nfs/dbraw/zinc/50/29/06/822502906.db2.gz AZXIOWDLRKWPKH-UHFFFAOYSA-N 1 2 387.439 4.494 20 0 GIADLO COc1ccc([C@H](C)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000179556090 822503095 /nfs/dbraw/zinc/50/30/95/822503095.db2.gz SEKSZPRVJBXBDN-SZFUDVHCSA-N 1 2 392.902 4.210 20 0 GIADLO COc1ccc([C@H](C)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000179556090 822503097 /nfs/dbraw/zinc/50/30/97/822503097.db2.gz SEKSZPRVJBXBDN-SZFUDVHCSA-N 1 2 392.902 4.210 20 0 GIADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000179567855 822505016 /nfs/dbraw/zinc/50/50/16/822505016.db2.gz WBGUZKXMMJXLDV-LJQANCHMSA-N 1 2 383.499 4.372 20 0 GIADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000179567855 822505019 /nfs/dbraw/zinc/50/50/19/822505019.db2.gz WBGUZKXMMJXLDV-LJQANCHMSA-N 1 2 383.499 4.372 20 0 GIADLO CC[N@H+](Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000179599157 822510025 /nfs/dbraw/zinc/51/00/25/822510025.db2.gz HBPHQCXMMKEDKY-CYBMUJFWSA-N 1 2 388.316 4.262 20 0 GIADLO CC[N@@H+](Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000179599157 822510028 /nfs/dbraw/zinc/51/00/28/822510028.db2.gz HBPHQCXMMKEDKY-CYBMUJFWSA-N 1 2 388.316 4.262 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(OC(F)F)cc1 ZINC000179602791 822510917 /nfs/dbraw/zinc/51/09/17/822510917.db2.gz ZCLKJNXODJEBMM-JTQLQIEISA-N 1 2 381.329 4.467 20 0 GIADLO CCCn1nc(C)c(C[N@H+](CCC)CC(=O)Nc2ccc(F)c(F)c2F)c1C ZINC000179610486 822512531 /nfs/dbraw/zinc/51/25/31/822512531.db2.gz NYSUQQMSRHEBEW-UHFFFAOYSA-N 1 2 396.457 4.178 20 0 GIADLO CCCn1nc(C)c(C[N@@H+](CCC)CC(=O)Nc2ccc(F)c(F)c2F)c1C ZINC000179610486 822512534 /nfs/dbraw/zinc/51/25/34/822512534.db2.gz NYSUQQMSRHEBEW-UHFFFAOYSA-N 1 2 396.457 4.178 20 0 GIADLO CCn1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(=O)c2cc(Cl)ccc21 ZINC000183698080 822513431 /nfs/dbraw/zinc/51/34/31/822513431.db2.gz POFNBGRUYVJTEW-UHFFFAOYSA-N 1 2 392.846 4.113 20 0 GIADLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000179625459 822515053 /nfs/dbraw/zinc/51/50/53/822515053.db2.gz MZVNZDSKKHLXAF-UHFFFAOYSA-N 1 2 384.423 4.220 20 0 GIADLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000179625459 822515055 /nfs/dbraw/zinc/51/50/55/822515055.db2.gz MZVNZDSKKHLXAF-UHFFFAOYSA-N 1 2 384.423 4.220 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)c(C)c1 ZINC000046780421 822516621 /nfs/dbraw/zinc/51/66/21/822516621.db2.gz KCFGOIMKZOVMOL-UHFFFAOYSA-N 1 2 375.472 4.448 20 0 GIADLO CC[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(F)cc1F ZINC000179639670 822517924 /nfs/dbraw/zinc/51/79/24/822517924.db2.gz BCDFQKSSVXLOKZ-GOSISDBHSA-N 1 2 387.455 4.428 20 0 GIADLO O=C(C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl)Nc1nncs1 ZINC000183733455 822518482 /nfs/dbraw/zinc/51/84/82/822518482.db2.gz OYJPCUIFSPWGOM-MRXNPFEDSA-N 1 2 393.299 4.163 20 0 GIADLO C[C@@H](c1cccc(NC(=O)N(C)Cc2c(F)cccc2F)c1)[NH+]1CCOCC1 ZINC000454745089 822527168 /nfs/dbraw/zinc/52/71/68/822527168.db2.gz QZYZTTDUMCJNDH-HNNXBMFYSA-N 1 2 389.446 4.022 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(OCc2ccccn2)c1 ZINC000179689191 822528019 /nfs/dbraw/zinc/52/80/19/822528019.db2.gz HRFLINOYULFJPW-OAHLLOKOSA-N 1 2 376.416 4.154 20 0 GIADLO CC(C)(C)C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000046898906 822528145 /nfs/dbraw/zinc/52/81/45/822528145.db2.gz MEDYNMJOUATFEL-IBGZPJMESA-N 1 2 384.499 4.230 20 0 GIADLO O=C(C[C@@H](O)c1cccc(F)c1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000179697039 822529533 /nfs/dbraw/zinc/52/95/33/822529533.db2.gz CSWDFEYSWZZBHP-HXUWFJFHSA-N 1 2 379.435 4.088 20 0 GIADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000179696101 822529593 /nfs/dbraw/zinc/52/95/93/822529593.db2.gz IHFNQGCXDVFXHN-GFCCVEGCSA-N 1 2 377.242 4.070 20 0 GIADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000179696101 822529594 /nfs/dbraw/zinc/52/95/94/822529594.db2.gz IHFNQGCXDVFXHN-GFCCVEGCSA-N 1 2 377.242 4.070 20 0 GIADLO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000179699996 822530219 /nfs/dbraw/zinc/53/02/19/822530219.db2.gz LXDHWDUWSZWWFA-OALUTQOASA-N 1 2 392.459 4.028 20 0 GIADLO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000179699996 822530221 /nfs/dbraw/zinc/53/02/21/822530221.db2.gz LXDHWDUWSZWWFA-OALUTQOASA-N 1 2 392.459 4.028 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(-c3nccn3C)c2)CC1 ZINC000183827062 822533130 /nfs/dbraw/zinc/53/31/30/822533130.db2.gz FLGILYLFJNRQNY-INIZCTEOSA-N 1 2 395.532 4.059 20 0 GIADLO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000179723084 822535383 /nfs/dbraw/zinc/53/53/83/822535383.db2.gz DFRCBYQFWUZCDI-KRWDZBQOSA-N 1 2 394.233 4.380 20 0 GIADLO Clc1ccc(-c2noc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)n2)cc1 ZINC000179730046 822537097 /nfs/dbraw/zinc/53/70/97/822537097.db2.gz ISXYPLMYDBVODF-FQEVSTJZSA-N 1 2 397.862 4.402 20 0 GIADLO CSc1ccc([C@@H](CNC(=O)C2CCC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000047042377 822539776 /nfs/dbraw/zinc/53/97/76/822539776.db2.gz DVTUZMPCLNYHRC-LJQANCHMSA-N 1 2 386.586 4.486 20 0 GIADLO CSc1ccc([C@@H](CNC(=O)C2CCC2)[N@H+]2CCc3sccc3C2)cc1 ZINC000047042377 822539778 /nfs/dbraw/zinc/53/97/78/822539778.db2.gz DVTUZMPCLNYHRC-LJQANCHMSA-N 1 2 386.586 4.486 20 0 GIADLO COc1ccccc1COC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000179751605 822542722 /nfs/dbraw/zinc/54/27/22/822542722.db2.gz LYJNCUHIGOYBIF-UHFFFAOYSA-N 1 2 391.309 4.034 20 0 GIADLO O=C(NCc1ccoc1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000047089356 822543820 /nfs/dbraw/zinc/54/38/20/822543820.db2.gz QTVHYUUPSPHRNC-UHFFFAOYSA-N 1 2 390.846 4.071 20 0 GIADLO Cc1ccc(C(=O)c2ccccc2C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000047123392 822545673 /nfs/dbraw/zinc/54/56/73/822545673.db2.gz FRMNTROMLBRTKF-UHFFFAOYSA-N 1 2 399.494 4.020 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000047124174 822545912 /nfs/dbraw/zinc/54/59/12/822545912.db2.gz HAWANXLCLRKGCE-UHFFFAOYSA-N 1 2 387.483 4.059 20 0 GIADLO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)s1 ZINC000183930686 822549131 /nfs/dbraw/zinc/54/91/31/822549131.db2.gz WGWZHBGOHQXRPI-SNVBAGLBSA-N 1 2 378.498 4.052 20 0 GIADLO O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047249399 822558626 /nfs/dbraw/zinc/55/86/26/822558626.db2.gz PVAAAGHCGMSASJ-UHFFFAOYSA-N 1 2 375.350 4.125 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NCC1(C(F)(F)F)CCC1 ZINC000454939159 822560289 /nfs/dbraw/zinc/56/02/89/822560289.db2.gz ABFIHWHZGHFBMI-UHFFFAOYSA-N 1 2 386.805 4.058 20 0 GIADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(N3CCCCCC3)cc2)on1 ZINC000047273599 822560760 /nfs/dbraw/zinc/56/07/60/822560760.db2.gz MTSZGZPGGQDBET-HXUWFJFHSA-N 1 2 382.508 4.139 20 0 GIADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCCCCC3)cc2)on1 ZINC000047273599 822560762 /nfs/dbraw/zinc/56/07/62/822560762.db2.gz MTSZGZPGGQDBET-HXUWFJFHSA-N 1 2 382.508 4.139 20 0 GIADLO C[C@H](CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)Cc1ccc(Cl)cc1 ZINC000179836527 822563330 /nfs/dbraw/zinc/56/33/30/822563330.db2.gz VIRZIPZVNBEZTA-KRWDZBQOSA-N 1 2 381.907 4.470 20 0 GIADLO Fc1ccc(COc2cccc(C[NH2+]Cc3nnc4n3CCCCC4)c2)cc1 ZINC000179840078 822564097 /nfs/dbraw/zinc/56/40/97/822564097.db2.gz MVVUYOPPOMDMJL-UHFFFAOYSA-N 1 2 380.467 4.012 20 0 GIADLO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184031111 822567658 /nfs/dbraw/zinc/56/76/58/822567658.db2.gz GMUSPZHRSKKOOG-UHFFFAOYSA-N 1 2 396.825 4.081 20 0 GIADLO COCCOc1ccc([C@@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)cc1OC ZINC000179918801 822577133 /nfs/dbraw/zinc/57/71/33/822577133.db2.gz DQQHCTCQTGHUTC-QGZVFWFLSA-N 1 2 385.508 4.279 20 0 GIADLO CCCN(CCc1cccs1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000184101370 822578225 /nfs/dbraw/zinc/57/82/25/822578225.db2.gz LVJDOVNWAIDOBV-UHFFFAOYSA-N 1 2 382.533 4.157 20 0 GIADLO O=C(Nc1cccc(CCC(F)(F)F)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184122139 822581888 /nfs/dbraw/zinc/58/18/88/822581888.db2.gz LIBACLGLWNTGOM-UHFFFAOYSA-N 1 2 392.425 4.321 20 0 GIADLO COc1ccccc1[C@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)OC(C)C ZINC000184129197 822583238 /nfs/dbraw/zinc/58/32/38/822583238.db2.gz LONDBVHCWSSTFS-SFHVURJKSA-N 1 2 383.496 4.168 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000184137751 822584529 /nfs/dbraw/zinc/58/45/29/822584529.db2.gz KMKZNPDXFLOBGX-FXAWDEMLSA-N 1 2 379.529 4.202 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000184142261 822584927 /nfs/dbraw/zinc/58/49/27/822584927.db2.gz AXRXHLVIOLBRFF-SECBINFHSA-N 1 2 377.819 4.413 20 0 GIADLO C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047515054 822585960 /nfs/dbraw/zinc/58/59/60/822585960.db2.gz DBBBWQYRBBXPEO-CYBMUJFWSA-N 1 2 386.249 4.041 20 0 GIADLO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455107993 822589790 /nfs/dbraw/zinc/58/97/90/822589790.db2.gz LXONGAUHHLDJRZ-DGCLKSJQSA-N 1 2 386.805 4.008 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184173674 822590770 /nfs/dbraw/zinc/59/07/70/822590770.db2.gz LXAXCMQUXILUAN-YOEHRIQHSA-N 1 2 394.899 4.272 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1scnc1C1CCCC1 ZINC000184177497 822591412 /nfs/dbraw/zinc/59/14/12/822591412.db2.gz FMYQUROHESSQDW-UHFFFAOYSA-N 1 2 382.489 4.329 20 0 GIADLO CC(C)COC[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1ccco1 ZINC000184181056 822592112 /nfs/dbraw/zinc/59/21/12/822592112.db2.gz SVSGEWUMDUHPQJ-INIZCTEOSA-N 1 2 384.398 4.240 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000184200644 822595012 /nfs/dbraw/zinc/59/50/12/822595012.db2.gz KLKJEFFENQBLLP-IFXJQAMLSA-N 1 2 375.513 4.289 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)CCC(=O)N2 ZINC000180009923 822595665 /nfs/dbraw/zinc/59/56/65/822595665.db2.gz RDIHFYQZTIEJGP-GFCCVEGCSA-N 1 2 382.851 4.126 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cccc(CSc3ccccn3)c2)n1 ZINC000184225830 822599222 /nfs/dbraw/zinc/59/92/22/822599222.db2.gz XAMDZPUUZLYJOR-HNNXBMFYSA-N 1 2 398.557 4.428 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(c2ccc(C)cc2C)CC1 ZINC000455166084 822600649 /nfs/dbraw/zinc/60/06/49/822600649.db2.gz VXEBZRJHFYPUSJ-UHFFFAOYSA-N 1 2 382.552 4.216 20 0 GIADLO Cc1csc([C@H](C)[NH2+][C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)n1 ZINC000184246688 822602381 /nfs/dbraw/zinc/60/23/81/822602381.db2.gz OLJJNZCNLOCUGJ-JLLWLGSASA-N 1 2 388.562 4.286 20 0 GIADLO CC1(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCCCCC1 ZINC000180047236 822603987 /nfs/dbraw/zinc/60/39/87/822603987.db2.gz PZLOPWSGEBWYQN-UHFFFAOYSA-N 1 2 382.508 4.002 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC000455211786 822609660 /nfs/dbraw/zinc/60/96/60/822609660.db2.gz PMIXWJQWEUZZCO-RTWAWAEBSA-N 1 2 382.552 4.451 20 0 GIADLO O=C(NCCCSc1ccc(F)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000047798745 822609984 /nfs/dbraw/zinc/60/99/84/822609984.db2.gz LTYASWCSRBJHJE-UHFFFAOYSA-N 1 2 398.507 4.052 20 0 GIADLO C[C@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccn1 ZINC000047888754 822616754 /nfs/dbraw/zinc/61/67/54/822616754.db2.gz FBGWWNMBFJXCCO-KSSFIOAISA-N 1 2 390.890 4.071 20 0 GIADLO CC(C)c1ccc(CCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000047913764 822618873 /nfs/dbraw/zinc/61/88/73/822618873.db2.gz GMHBZVPDIFSKNR-UHFFFAOYSA-N 1 2 376.504 4.097 20 0 GIADLO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000184365386 822622918 /nfs/dbraw/zinc/62/29/18/822622918.db2.gz SQYMSTRAOQLYGL-MRXNPFEDSA-N 1 2 399.922 4.251 20 0 GIADLO COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1Cl ZINC000047992855 822624473 /nfs/dbraw/zinc/62/44/73/822624473.db2.gz BNTYXPWGDRCJBR-SFHVURJKSA-N 1 2 376.909 4.077 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000180140012 822624719 /nfs/dbraw/zinc/62/47/19/822624719.db2.gz FWJWLTQYLZHGEF-SMDDNHRTSA-N 1 2 384.814 4.253 20 0 GIADLO Cc1cccnc1CCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000455292614 822629302 /nfs/dbraw/zinc/62/93/02/822629302.db2.gz SXSOWLALNZLNNT-UHFFFAOYSA-N 1 2 389.503 4.344 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)c[nH+]1 ZINC000455322758 822634150 /nfs/dbraw/zinc/63/41/50/822634150.db2.gz BZNFPZRCJGNQDM-UHFFFAOYSA-N 1 2 383.492 4.294 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)c1C ZINC000180188528 822635373 /nfs/dbraw/zinc/63/53/73/822635373.db2.gz MJNZVVXENISQSU-ZDUSSCGKSA-N 1 2 388.895 4.228 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000184442194 822635950 /nfs/dbraw/zinc/63/59/50/822635950.db2.gz AIPQZSZRKCUBOI-AWEZNQCLSA-N 1 2 379.476 4.274 20 0 GIADLO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184460519 822639441 /nfs/dbraw/zinc/63/94/41/822639441.db2.gz VDFRCNBYEOKEEB-LBPRGKRZSA-N 1 2 395.956 4.070 20 0 GIADLO Cc1nc(-c2ccccc2)sc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000184468710 822641243 /nfs/dbraw/zinc/64/12/43/822641243.db2.gz DDXLWLVXLSZEPQ-UHFFFAOYSA-N 1 2 393.516 4.435 20 0 GIADLO CCCOc1ccc(CNC(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184476875 822642565 /nfs/dbraw/zinc/64/25/65/822642565.db2.gz SOMFFHLXFTXVGR-OAHLLOKOSA-N 1 2 389.565 4.196 20 0 GIADLO CCCc1c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cnn1-c1cccc(F)c1 ZINC000184530816 822651853 /nfs/dbraw/zinc/65/18/53/822651853.db2.gz BWRZAYLCCQRPTG-UHFFFAOYSA-N 1 2 396.470 4.029 20 0 GIADLO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000184534810 822652760 /nfs/dbraw/zinc/65/27/60/822652760.db2.gz AXVGSGAZBWIPCQ-AWEZNQCLSA-N 1 2 379.485 4.302 20 0 GIADLO COc1ccccc1-c1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1 ZINC000180299471 822659172 /nfs/dbraw/zinc/65/91/72/822659172.db2.gz NXXXDTCFMJMISS-UHFFFAOYSA-N 1 2 389.499 4.330 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3cn(C)nc3-c3ccccc3)n2)CC1 ZINC000180309823 822661301 /nfs/dbraw/zinc/66/13/01/822661301.db2.gz ZALCXBWLZVKYRR-UHFFFAOYSA-N 1 2 395.532 4.028 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C2=CC[C@H](C)CC2)cc1 ZINC000455474333 822661434 /nfs/dbraw/zinc/66/14/34/822661434.db2.gz RLFVOKJFMZMSRA-IBGZPJMESA-N 1 2 381.520 4.447 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2ccc(Br)cc2F)c2ccc(F)cc2)cn1 ZINC000184588848 822662135 /nfs/dbraw/zinc/66/21/35/822662135.db2.gz OEXVVHZUHUGRNO-SFHVURJKSA-N 1 2 392.247 4.340 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C)[nH+]1 ZINC000455478455 822662469 /nfs/dbraw/zinc/66/24/69/822662469.db2.gz FYDWUXMPLUPRLN-SJLPKXTDSA-N 1 2 377.847 4.451 20 0 GIADLO CCc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1CC ZINC000180323378 822663425 /nfs/dbraw/zinc/66/34/25/822663425.db2.gz XNBJYLZTORESOC-UHFFFAOYSA-N 1 2 390.487 4.289 20 0 GIADLO Cn1cc([C@@H]([NH2+]CC(=O)Nc2cccc3ccccc32)c2ccc(F)cc2)cn1 ZINC000184599469 822663821 /nfs/dbraw/zinc/66/38/21/822663821.db2.gz DFFTXTULBMWAHW-QHCPKHFHSA-N 1 2 388.446 4.030 20 0 GIADLO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455487090 822664250 /nfs/dbraw/zinc/66/42/50/822664250.db2.gz SJJBVTUNKQWIBS-UHFFFAOYSA-N 1 2 377.492 4.190 20 0 GIADLO COCCN(CCCOc1ccc(F)cc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455487699 822664397 /nfs/dbraw/zinc/66/43/97/822664397.db2.gz UEDUOVNNAMFUHR-UHFFFAOYSA-N 1 2 389.471 4.095 20 0 GIADLO COc1cc(NC2CCN(C(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)cc(OC)c1 ZINC000455497230 822666209 /nfs/dbraw/zinc/66/62/09/822666209.db2.gz PWRYCRAMOJMRRB-UHFFFAOYSA-N 1 2 398.507 4.132 20 0 GIADLO Cc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c(OC[C@H]2CCOC2)c1 ZINC000455503072 822667106 /nfs/dbraw/zinc/66/71/06/822667106.db2.gz VILVSEBTHDKBQG-SFHVURJKSA-N 1 2 383.492 4.052 20 0 GIADLO Cc1cc([C@H](C)NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(C)s1 ZINC000048507416 822668560 /nfs/dbraw/zinc/66/85/60/822668560.db2.gz OINCIDDJHGXDRD-INIZCTEOSA-N 1 2 382.533 4.213 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000455589813 822679714 /nfs/dbraw/zinc/67/97/14/822679714.db2.gz MXAHMKSEDHWDGE-SCTDSRPQSA-N 1 2 386.927 4.299 20 0 GIADLO COc1cccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1OC(C)C ZINC000048776496 822682172 /nfs/dbraw/zinc/68/21/72/822682172.db2.gz XQAWRINOJYVRHG-UHFFFAOYSA-N 1 2 391.515 4.447 20 0 GIADLO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(C)o1 ZINC000184766048 822688081 /nfs/dbraw/zinc/68/80/81/822688081.db2.gz KICUINUFGNEITJ-AWEZNQCLSA-N 1 2 391.682 4.464 20 0 GIADLO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484660 822689590 /nfs/dbraw/zinc/68/95/90/822689590.db2.gz WBSGBMSXNYDCBY-CQSZACIVSA-N 1 2 391.437 4.163 20 0 GIADLO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484660 822689592 /nfs/dbraw/zinc/68/95/92/822689592.db2.gz WBSGBMSXNYDCBY-CQSZACIVSA-N 1 2 391.437 4.163 20 0 GIADLO CC(C)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000048966551 822689919 /nfs/dbraw/zinc/68/99/19/822689919.db2.gz RSCROPDVBQIYDV-JOCHJYFZSA-N 1 2 376.504 4.170 20 0 GIADLO Cc1cc([C@@H]([NH2+][C@H](C)CN2CCN(C)CC2)c2ccccc2Cl)ccc1F ZINC000180496967 822691240 /nfs/dbraw/zinc/69/12/40/822691240.db2.gz BRFPDNHVMBBNBO-VGOFRKELSA-N 1 2 389.946 4.102 20 0 GIADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000455666653 822695509 /nfs/dbraw/zinc/69/55/09/822695509.db2.gz NDVPAANBDIRRFG-HXUWFJFHSA-N 1 2 387.483 4.004 20 0 GIADLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000455666971 822695658 /nfs/dbraw/zinc/69/56/58/822695658.db2.gz QLFZUHODNFJZCU-UHFFFAOYSA-N 1 2 388.777 4.093 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)o1 ZINC000184828047 822696211 /nfs/dbraw/zinc/69/62/11/822696211.db2.gz PKMHQLRACOVTTJ-RHSMWYFYSA-N 1 2 378.900 4.417 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000184842506 822698783 /nfs/dbraw/zinc/69/87/83/822698783.db2.gz UDVSMGUCFYPXAM-MEDUHNTESA-N 1 2 385.291 4.453 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000184842540 822698805 /nfs/dbraw/zinc/69/88/05/822698805.db2.gz UDVSMGUCFYPXAM-BDJLRTHQSA-N 1 2 385.291 4.453 20 0 GIADLO C[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1ncc(-c2ccccc2)o1 ZINC000184844086 822698940 /nfs/dbraw/zinc/69/89/40/822698940.db2.gz DFLNKEADCGLDAP-OAHLLOKOSA-N 1 2 383.879 4.005 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000184844776 822699218 /nfs/dbraw/zinc/69/92/18/822699218.db2.gz NXXFOWMIQBWHTP-DINPMHMFSA-N 1 2 393.531 4.466 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)o1 ZINC000184854430 822700863 /nfs/dbraw/zinc/70/08/63/822700863.db2.gz OUOQPECYHAVPIN-CXAGYDPISA-N 1 2 398.459 4.095 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1Cl)c1ncc(-c2ccccc2)o1 ZINC000184869463 822704013 /nfs/dbraw/zinc/70/40/13/822704013.db2.gz JQPOOMTYPGPEQM-LSDHHAIUSA-N 1 2 383.879 4.351 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c(OC)c1 ZINC000184870002 822704164 /nfs/dbraw/zinc/70/41/64/822704164.db2.gz CIFSIAFMBYVEME-CABCVRRESA-N 1 2 395.459 4.037 20 0 GIADLO FC(F)CN1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000180569542 822704257 /nfs/dbraw/zinc/70/42/57/822704257.db2.gz HNZPHIOHYNAWDB-UHFFFAOYSA-N 1 2 395.881 4.087 20 0 GIADLO FC(F)CN1CCC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000180569542 822704262 /nfs/dbraw/zinc/70/42/62/822704262.db2.gz HNZPHIOHYNAWDB-UHFFFAOYSA-N 1 2 395.881 4.087 20 0 GIADLO C[C@H](CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000184877714 822705750 /nfs/dbraw/zinc/70/57/50/822705750.db2.gz BSLHRFFSJNLGNO-SQNIBIBYSA-N 1 2 377.488 4.301 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000184893919 822708965 /nfs/dbraw/zinc/70/89/65/822708965.db2.gz ABVQCJXTGPEJJN-JTDSTZFVSA-N 1 2 391.471 4.021 20 0 GIADLO O=C(Nc1ccc2c(c1)CCCC2=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455714333 822710744 /nfs/dbraw/zinc/71/07/44/822710744.db2.gz MLGXFPUHXBKOKU-UHFFFAOYSA-N 1 2 380.492 4.126 20 0 GIADLO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc(Br)cc(F)c1O ZINC000184918239 822712905 /nfs/dbraw/zinc/71/29/05/822712905.db2.gz XQQJRGQRMOCVND-BJOHPYRUSA-N 1 2 388.664 4.331 20 0 GIADLO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Br)cc(F)c1O ZINC000184973386 822720097 /nfs/dbraw/zinc/72/00/97/822720097.db2.gz QHIJYUKWWUBIRW-LBPRGKRZSA-N 1 2 394.288 4.140 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)s1 ZINC000184974109 822720363 /nfs/dbraw/zinc/72/03/63/822720363.db2.gz ROHUKBBLDFUHND-FXAWDEMLSA-N 1 2 379.529 4.202 20 0 GIADLO O=C(C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ccccc1Cl ZINC000050231440 822721904 /nfs/dbraw/zinc/72/19/04/822721904.db2.gz LHPWBCHDBWDEMY-QGZVFWFLSA-N 1 2 376.859 4.099 20 0 GIADLO O=C(C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ccccc1Cl ZINC000050231440 822721907 /nfs/dbraw/zinc/72/19/07/822721907.db2.gz LHPWBCHDBWDEMY-QGZVFWFLSA-N 1 2 376.859 4.099 20 0 GIADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000184990869 822722700 /nfs/dbraw/zinc/72/27/00/822722700.db2.gz BCDGKCDNMUHJFP-GXTWGEPZSA-N 1 2 385.459 4.116 20 0 GIADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000184990869 822722701 /nfs/dbraw/zinc/72/27/01/822722701.db2.gz BCDGKCDNMUHJFP-GXTWGEPZSA-N 1 2 385.459 4.116 20 0 GIADLO O=C(C[NH+](Cc1cccs1)Cc1cccs1)N[C@@H]1CCOc2ccccc21 ZINC000050273264 822723302 /nfs/dbraw/zinc/72/33/02/822723302.db2.gz HVLLHCXHMDYPPJ-LJQANCHMSA-N 1 2 398.553 4.452 20 0 GIADLO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cn1 ZINC000185046223 822728789 /nfs/dbraw/zinc/72/87/89/822728789.db2.gz UWINAVVRPLSTAW-LLVKDONJSA-N 1 2 383.261 4.327 20 0 GIADLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccccc2C(C)(F)F)CC1 ZINC000455807550 822730053 /nfs/dbraw/zinc/73/00/53/822730053.db2.gz MUOKHNCKRJFMDU-UHFFFAOYSA-N 1 2 389.446 4.157 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1nccs1 ZINC000185057689 822730256 /nfs/dbraw/zinc/73/02/56/822730256.db2.gz RNUQHLNYTNIPRQ-CYBMUJFWSA-N 1 2 394.472 4.224 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)c1nccs1 ZINC000185062720 822731314 /nfs/dbraw/zinc/73/13/14/822731314.db2.gz SKEBHLFFYSVGKF-VQIMIIECSA-N 1 2 385.558 4.460 20 0 GIADLO CCc1nc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000050558311 822733675 /nfs/dbraw/zinc/73/36/75/822733675.db2.gz CYLJFDGQIQSNEB-UHFFFAOYSA-N 1 2 377.941 4.015 20 0 GIADLO CCc1nc(C)c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000050558311 822733676 /nfs/dbraw/zinc/73/36/76/822733676.db2.gz CYLJFDGQIQSNEB-UHFFFAOYSA-N 1 2 377.941 4.015 20 0 GIADLO COC(=O)c1cc2cc(C[NH2+][C@@H](C)c3nc(-c4cccc(F)c4)no3)ccc2o1 ZINC000185093190 822736113 /nfs/dbraw/zinc/73/61/13/822736113.db2.gz COXIHFZDSXOOCS-LBPRGKRZSA-N 1 2 395.390 4.259 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1nccs1 ZINC000185094296 822736304 /nfs/dbraw/zinc/73/63/04/822736304.db2.gz BDXVZADQSOKUHX-LLVKDONJSA-N 1 2 375.828 4.077 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C(=O)OC(C)C)cc3)n2)c1 ZINC000185114829 822738987 /nfs/dbraw/zinc/73/89/87/822738987.db2.gz HIDNAWBKCXUWPG-HNNXBMFYSA-N 1 2 395.459 4.161 20 0 GIADLO CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000050862995 822740515 /nfs/dbraw/zinc/74/05/15/822740515.db2.gz UVMSRUSJKWGOPT-DHIUTWEWSA-N 1 2 389.499 4.171 20 0 GIADLO C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)Cn1nc2n(c1=S)CCCCC2 ZINC000050928127 822742669 /nfs/dbraw/zinc/74/26/69/822742669.db2.gz QHGASOVSCLJGHZ-AZUAARDMSA-N 1 2 386.565 4.198 20 0 GIADLO C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)Cn1nc2n(c1=S)CCCCC2 ZINC000050928127 822742670 /nfs/dbraw/zinc/74/26/70/822742670.db2.gz QHGASOVSCLJGHZ-AZUAARDMSA-N 1 2 386.565 4.198 20 0 GIADLO Cc1occc1C[N@H+](C)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000050961366 822743388 /nfs/dbraw/zinc/74/33/88/822743388.db2.gz JXXPMQJKEQVWAW-UHFFFAOYSA-N 1 2 381.501 4.346 20 0 GIADLO Cc1occc1C[N@@H+](C)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000050961366 822743391 /nfs/dbraw/zinc/74/33/91/822743391.db2.gz JXXPMQJKEQVWAW-UHFFFAOYSA-N 1 2 381.501 4.346 20 0 GIADLO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000051092513 822746397 /nfs/dbraw/zinc/74/63/97/822746397.db2.gz PLIKPZPJKCBQIO-GOSISDBHSA-N 1 2 377.271 4.357 20 0 GIADLO O[C@@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000051091568 822746503 /nfs/dbraw/zinc/74/65/03/822746503.db2.gz CVBCKVWRGOBQGH-XBGMYJNYSA-N 1 2 390.449 4.070 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c1C ZINC000051333848 822756476 /nfs/dbraw/zinc/75/64/76/822756476.db2.gz AWHUZZQUVDJBOY-ZDUSSCGKSA-N 1 2 397.397 4.166 20 0 GIADLO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000185276315 822758435 /nfs/dbraw/zinc/75/84/35/822758435.db2.gz ZDRWDJORESKZIB-ZBFHGGJFSA-N 1 2 393.915 4.170 20 0 GIADLO CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000051428329 822759604 /nfs/dbraw/zinc/75/96/04/822759604.db2.gz AXDSWODENVKABP-IBGZPJMESA-N 1 2 395.528 4.148 20 0 GIADLO CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000051428329 822759606 /nfs/dbraw/zinc/75/96/06/822759606.db2.gz AXDSWODENVKABP-IBGZPJMESA-N 1 2 395.528 4.148 20 0 GIADLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc([C@H](C)C(F)(F)F)cc2)CC[NH2+]1 ZINC000456068215 822773837 /nfs/dbraw/zinc/77/38/37/822773837.db2.gz NPJILPWXARXKDA-KSSFIOAISA-N 1 2 392.421 4.148 20 0 GIADLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000185388714 822777046 /nfs/dbraw/zinc/77/70/46/822777046.db2.gz CQOYSHHDZWLCFJ-LSDHHAIUSA-N 1 2 380.579 4.262 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C(F)(F)F)C[C@H]3C)cn2c1 ZINC000456130755 822782090 /nfs/dbraw/zinc/78/20/90/822782090.db2.gz QDUCQYALRPXVMU-ZIAGYGMSSA-N 1 2 385.455 4.065 20 0 GIADLO Cc1cccc2nc(C[NH2+]Cc3cc(Cl)ccc3OC[C@H]3CCCO3)cn21 ZINC000174423685 822788121 /nfs/dbraw/zinc/78/81/21/822788121.db2.gz WCTRHWIKLOFYPO-LJQANCHMSA-N 1 2 385.895 4.144 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1cccc(C(F)(F)F)c1 ZINC000052047883 822789026 /nfs/dbraw/zinc/78/90/26/822789026.db2.gz WYVLPWQHNKBJKL-UHFFFAOYSA-N 1 2 388.336 4.377 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1cccc(C(F)(F)F)c1 ZINC000052047883 822789028 /nfs/dbraw/zinc/78/90/28/822789028.db2.gz WYVLPWQHNKBJKL-UHFFFAOYSA-N 1 2 388.336 4.377 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@H+]3CCC[C@H](C)CC3)c2=S)c1 ZINC000052085602 822790154 /nfs/dbraw/zinc/79/01/54/822790154.db2.gz UAUNIFKUBXHSMT-HNNXBMFYSA-N 1 2 399.564 4.319 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@@H+]3CCC[C@H](C)CC3)c2=S)c1 ZINC000052085602 822790156 /nfs/dbraw/zinc/79/01/56/822790156.db2.gz UAUNIFKUBXHSMT-HNNXBMFYSA-N 1 2 399.564 4.319 20 0 GIADLO COc1ccc(Br)cc1-c1nc(C[N@H+](C)C[C@H]2CCCO2)cs1 ZINC000052102620 822790498 /nfs/dbraw/zinc/79/04/98/822790498.db2.gz KAQSXGOBXGZFAT-CQSZACIVSA-N 1 2 397.338 4.192 20 0 GIADLO COc1ccc(Br)cc1-c1nc(C[N@@H+](C)C[C@H]2CCCO2)cs1 ZINC000052102620 822790501 /nfs/dbraw/zinc/79/05/01/822790501.db2.gz KAQSXGOBXGZFAT-CQSZACIVSA-N 1 2 397.338 4.192 20 0 GIADLO COc1ccc(-c2noc(C[N@H+](Cc3cccc(F)c3)C3CC3)n2)c(OC)c1 ZINC000052161730 822791708 /nfs/dbraw/zinc/79/17/08/822791708.db2.gz ITDRGRSHXLFDBR-UHFFFAOYSA-N 1 2 383.423 4.058 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+](Cc3cccc(F)c3)C3CC3)n2)c(OC)c1 ZINC000052161730 822791711 /nfs/dbraw/zinc/79/17/11/822791711.db2.gz ITDRGRSHXLFDBR-UHFFFAOYSA-N 1 2 383.423 4.058 20 0 GIADLO CC(C)[N@H+](Cc1nc(-c2cccc(Br)c2)no1)Cc1ccccn1 ZINC000052218138 822793254 /nfs/dbraw/zinc/79/32/54/822793254.db2.gz XSPQGSVRAQOUOI-UHFFFAOYSA-N 1 2 387.281 4.305 20 0 GIADLO CC(C)[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)Cc1ccccn1 ZINC000052218138 822793256 /nfs/dbraw/zinc/79/32/56/822793256.db2.gz XSPQGSVRAQOUOI-UHFFFAOYSA-N 1 2 387.281 4.305 20 0 GIADLO CC(C)Oc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(F)c1 ZINC000052265798 822795175 /nfs/dbraw/zinc/79/51/75/822795175.db2.gz NNFRNBWGXXQLQB-UHFFFAOYSA-N 1 2 382.439 4.179 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)n2)c(OC)c1 ZINC000052455857 822800279 /nfs/dbraw/zinc/80/02/79/822800279.db2.gz LDKPBDPEAJFWEI-SFHVURJKSA-N 1 2 383.423 4.230 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3cccc(F)c3)n2)c(OC)c1 ZINC000052455857 822800283 /nfs/dbraw/zinc/80/02/83/822800283.db2.gz LDKPBDPEAJFWEI-SFHVURJKSA-N 1 2 383.423 4.230 20 0 GIADLO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000174595590 822809646 /nfs/dbraw/zinc/80/96/46/822809646.db2.gz RILXZFNZOSXLRG-KRWDZBQOSA-N 1 2 384.487 4.302 20 0 GIADLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000174595590 822809647 /nfs/dbraw/zinc/80/96/47/822809647.db2.gz RILXZFNZOSXLRG-KRWDZBQOSA-N 1 2 384.487 4.302 20 0 GIADLO COc1ccccc1NC(=O)C[N@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000174595667 822809690 /nfs/dbraw/zinc/80/96/90/822809690.db2.gz FPPPYNHZOWEVMA-UHFFFAOYSA-N 1 2 375.472 4.213 20 0 GIADLO COc1ccccc1NC(=O)C[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000174595667 822809695 /nfs/dbraw/zinc/80/96/95/822809695.db2.gz FPPPYNHZOWEVMA-UHFFFAOYSA-N 1 2 375.472 4.213 20 0 GIADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847896 822812854 /nfs/dbraw/zinc/81/28/54/822812854.db2.gz RFJMMHOBAOCIIA-SECBINFHSA-N 1 2 389.265 4.248 20 0 GIADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847896 822812857 /nfs/dbraw/zinc/81/28/57/822812857.db2.gz RFJMMHOBAOCIIA-SECBINFHSA-N 1 2 389.265 4.248 20 0 GIADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847898 822812980 /nfs/dbraw/zinc/81/29/80/822812980.db2.gz REMPTOXNBNDWDJ-SECBINFHSA-N 1 2 389.265 4.248 20 0 GIADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847898 822812984 /nfs/dbraw/zinc/81/29/84/822812984.db2.gz REMPTOXNBNDWDJ-SECBINFHSA-N 1 2 389.265 4.248 20 0 GIADLO COC(=O)c1ccc2c(c1)nc(C[N@H+](Cc1cccc(Cl)c1)C(C)C)[nH]c2=O ZINC000052906950 822814850 /nfs/dbraw/zinc/81/48/50/822814850.db2.gz JQFBMTPUZXNIMU-UHFFFAOYSA-N 1 2 399.878 4.186 20 0 GIADLO COC(=O)c1ccc2c(c1)nc(C[N@@H+](Cc1cccc(Cl)c1)C(C)C)[nH]c2=O ZINC000052906950 822814854 /nfs/dbraw/zinc/81/48/54/822814854.db2.gz JQFBMTPUZXNIMU-UHFFFAOYSA-N 1 2 399.878 4.186 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1nc(C2CC2)cs1 ZINC000174655830 822818748 /nfs/dbraw/zinc/81/87/48/822818748.db2.gz WJDCSHJVYMUGEQ-UHFFFAOYSA-N 1 2 385.537 4.186 20 0 GIADLO Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccnn3C3CCCC3)CC2)cc1C ZINC000053016274 822818802 /nfs/dbraw/zinc/81/88/02/822818802.db2.gz ZTGYDNNBGHCLJP-UHFFFAOYSA-N 1 2 396.535 4.097 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(OCC(F)F)cc3)n2)c1 ZINC000174656087 822819020 /nfs/dbraw/zinc/81/90/20/822819020.db2.gz FTFPKIBCKRFYEJ-ZDUSSCGKSA-N 1 2 389.402 4.240 20 0 GIADLO CCOc1cc(C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)ccc1OC ZINC000174656805 822819132 /nfs/dbraw/zinc/81/91/32/822819132.db2.gz BYXAHJDBNSKULQ-AWEZNQCLSA-N 1 2 383.448 4.003 20 0 GIADLO C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1cn(C)c2ccccc12 ZINC000185834951 822825724 /nfs/dbraw/zinc/82/57/24/822825724.db2.gz VTWNJLYOEBHBOB-PRPYNDMISA-N 1 2 397.469 4.122 20 0 GIADLO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1cn(C)c2ccccc12 ZINC000185834951 822825729 /nfs/dbraw/zinc/82/57/29/822825729.db2.gz VTWNJLYOEBHBOB-PRPYNDMISA-N 1 2 397.469 4.122 20 0 GIADLO COCCn1c2ccccc2[nH+]c1NCc1cc2cnn(C(C)C)c2nc1Cl ZINC000185848542 822827161 /nfs/dbraw/zinc/82/71/61/822827161.db2.gz IGOZBRRLBJUVEX-UHFFFAOYSA-N 1 2 398.898 4.274 20 0 GIADLO COc1ccc(Br)cc1C[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000053403408 822833227 /nfs/dbraw/zinc/83/32/27/822833227.db2.gz MNZGVYOQPVSPPO-UHFFFAOYSA-N 1 2 396.256 4.095 20 0 GIADLO COc1ccc(Br)cc1C[N@@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000053403408 822833230 /nfs/dbraw/zinc/83/32/30/822833230.db2.gz MNZGVYOQPVSPPO-UHFFFAOYSA-N 1 2 396.256 4.095 20 0 GIADLO Cc1nc(C)c(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)o1 ZINC000174766957 822834387 /nfs/dbraw/zinc/83/43/87/822834387.db2.gz PNFYGWQHOKRTMS-UHFFFAOYSA-N 1 2 390.846 4.013 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1cc(C)ccc1OC)c1nc(C(F)(F)F)cs1 ZINC000185930296 822834704 /nfs/dbraw/zinc/83/47/04/822834704.db2.gz ZQDFEVUAQBBFLX-LLVKDONJSA-N 1 2 387.427 4.158 20 0 GIADLO C[C@H](c1cccs1)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000053429336 822834868 /nfs/dbraw/zinc/83/48/68/822834868.db2.gz JZDXNBKSWMIIJZ-ZBFHGGJFSA-N 1 2 383.473 4.305 20 0 GIADLO C[C@H](c1cccs1)[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000053429336 822834871 /nfs/dbraw/zinc/83/48/71/822834871.db2.gz JZDXNBKSWMIIJZ-ZBFHGGJFSA-N 1 2 383.473 4.305 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N[C@H](C)c1cccs1)c1nc(C(F)(F)F)cs1 ZINC000185955347 822837041 /nfs/dbraw/zinc/83/70/41/822837041.db2.gz JCQLVVJRVKWHGK-ZJUUUORDSA-N 1 2 377.457 4.142 20 0 GIADLO CC[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1nc(C(F)(F)F)cs1 ZINC000185957527 822837105 /nfs/dbraw/zinc/83/71/05/822837105.db2.gz WMCMSODYHBENKI-AWEZNQCLSA-N 1 2 397.466 4.398 20 0 GIADLO Cc1cc(-c2cc(C(=O)NCc3c[nH+]c(C)cc3C)c3c(C)noc3n2)c(C)o1 ZINC000456845478 822837555 /nfs/dbraw/zinc/83/75/55/822837555.db2.gz IMAYJLYJPGFOIZ-UHFFFAOYSA-N 1 2 390.443 4.350 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000185964330 822838325 /nfs/dbraw/zinc/83/83/25/822838325.db2.gz JBYTUPURESBGEW-SWLSCSKDSA-N 1 2 397.466 4.176 20 0 GIADLO CCOc1ccc(-c2nc(CC(=O)NCc3c[nH+]c(C)cc3C)cs2)cc1 ZINC000456862603 822838947 /nfs/dbraw/zinc/83/89/47/822838947.db2.gz PXKGEYGAFOETSM-UHFFFAOYSA-N 1 2 381.501 4.080 20 0 GIADLO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000174861709 822847942 /nfs/dbraw/zinc/84/79/42/822847942.db2.gz YRPWJGJQCCSNGS-JXFKEZNVSA-N 1 2 382.483 4.114 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814994 822849312 /nfs/dbraw/zinc/84/93/12/822849312.db2.gz BFHMTUXORBIHGM-AWEZNQCLSA-N 1 2 386.879 4.171 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053814994 822849316 /nfs/dbraw/zinc/84/93/16/822849316.db2.gz BFHMTUXORBIHGM-AWEZNQCLSA-N 1 2 386.879 4.171 20 0 GIADLO O=C(Nc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1)c1ccccc1 ZINC000053821749 822849413 /nfs/dbraw/zinc/84/94/13/822849413.db2.gz BNEPJJZTGNAIPE-UHFFFAOYSA-N 1 2 382.423 4.377 20 0 GIADLO Cc1ncsc1/C=C/C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000186077445 822849754 /nfs/dbraw/zinc/84/97/54/822849754.db2.gz SJKIOCIXBNDUPS-KIUWMYQTSA-N 1 2 375.925 4.024 20 0 GIADLO CCC[C@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)c1cccnc1 ZINC000186100937 822851634 /nfs/dbraw/zinc/85/16/34/822851634.db2.gz JXQCCDXQRWXXLD-INIZCTEOSA-N 1 2 386.297 4.260 20 0 GIADLO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)c1 ZINC000186100976 822851691 /nfs/dbraw/zinc/85/16/91/822851691.db2.gz LVVUEASAUDNXHO-GFCCVEGCSA-N 1 2 387.281 4.099 20 0 GIADLO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000186100976 822851694 /nfs/dbraw/zinc/85/16/94/822851694.db2.gz LVVUEASAUDNXHO-GFCCVEGCSA-N 1 2 387.281 4.099 20 0 GIADLO O=C(c1ccc(Br)o1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000053944879 822853412 /nfs/dbraw/zinc/85/34/12/822853412.db2.gz QIURQTDBGPLSIX-UHFFFAOYSA-N 1 2 397.700 4.044 20 0 GIADLO O=C(c1ccc(Br)o1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000053944879 822853416 /nfs/dbraw/zinc/85/34/16/822853416.db2.gz QIURQTDBGPLSIX-UHFFFAOYSA-N 1 2 397.700 4.044 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1SCCc2ccccc21 ZINC000174915778 822855433 /nfs/dbraw/zinc/85/54/33/822855433.db2.gz SREJYMGYYAMEKR-QFIPXVFZSA-N 1 2 395.572 4.177 20 0 GIADLO COc1cccc(C([NH2+]Cc2nc3ccccc3n2C)c2cccc(OC)c2)c1 ZINC000174929514 822857356 /nfs/dbraw/zinc/85/73/56/822857356.db2.gz SOWUMYAWVAMRNN-UHFFFAOYSA-N 1 2 387.483 4.470 20 0 GIADLO Cc1ccc(OC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1C ZINC000054010365 822858381 /nfs/dbraw/zinc/85/83/81/822858381.db2.gz QKHARNCHFAKHNH-UHFFFAOYSA-N 1 2 375.472 4.173 20 0 GIADLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncnc3cccc(F)c32)CC1 ZINC000054044038 822860525 /nfs/dbraw/zinc/86/05/25/822860525.db2.gz CFWWPGAIMRAQHC-CQSZACIVSA-N 1 2 393.491 4.262 20 0 GIADLO O=C([C@H]1CCCc2[nH+]ccn21)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457339756 822868440 /nfs/dbraw/zinc/86/84/40/822868440.db2.gz AXHPHVFRKFHPJH-DLBZAZTESA-N 1 2 383.883 4.044 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)cc(Br)c1 ZINC000054225720 822869528 /nfs/dbraw/zinc/86/95/28/822869528.db2.gz YIYWGWPUNDMISA-UHFFFAOYSA-N 1 2 378.176 4.165 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000175036997 822871783 /nfs/dbraw/zinc/87/17/83/822871783.db2.gz NMQVHGJYOLCXRC-MOPGFXCFSA-N 1 2 390.597 4.004 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(-c4ccccc4)on3)n2)C1 ZINC000054277531 822872666 /nfs/dbraw/zinc/87/26/66/822872666.db2.gz RRFGZDBFUFHGRP-CQSZACIVSA-N 1 2 382.489 4.282 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(-c4ccccc4)on3)n2)C1 ZINC000054277531 822872668 /nfs/dbraw/zinc/87/26/68/822872668.db2.gz RRFGZDBFUFHGRP-CQSZACIVSA-N 1 2 382.489 4.282 20 0 GIADLO C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)ccc1Cl ZINC000186327092 822876640 /nfs/dbraw/zinc/87/66/40/822876640.db2.gz KRRKCUXNSLJQAT-CYBMUJFWSA-N 1 2 393.318 4.418 20 0 GIADLO C[C@@H](CC(F)(F)F)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457460570 822877298 /nfs/dbraw/zinc/87/72/98/822877298.db2.gz XXQJNTYWAUVOQO-SMDDNHRTSA-N 1 2 380.813 4.321 20 0 GIADLO Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000175076649 822878207 /nfs/dbraw/zinc/87/82/07/822878207.db2.gz JQBGCAUIQZTYLF-UHFFFAOYSA-N 1 2 391.471 4.043 20 0 GIADLO CCCCCNC(=O)C1CC[NH+](Cn2c3ccccc3n(CC)c2=S)CC1 ZINC000054490044 822890663 /nfs/dbraw/zinc/89/06/63/822890663.db2.gz YLJQBHKPWMHBIK-UHFFFAOYSA-N 1 2 388.581 4.168 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cccc([C@H]2CCCOC2)c1 ZINC000569190427 822890931 /nfs/dbraw/zinc/89/09/31/822890931.db2.gz XMMUWTCYYPIZEX-SFHVURJKSA-N 1 2 395.890 4.350 20 0 GIADLO CCOc1c(Cl)cc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1OC ZINC000186422009 822891750 /nfs/dbraw/zinc/89/17/50/822891750.db2.gz VDJWGEZAYRAXMQ-UHFFFAOYSA-N 1 2 382.888 4.340 20 0 GIADLO Cc1ccnc(-n2c(=O)c3ccccc3nc2SCc2ccc(C)[nH+]c2C)c1 ZINC000186422768 822892259 /nfs/dbraw/zinc/89/22/59/822892259.db2.gz XVJSPSZADDAUBL-UHFFFAOYSA-N 1 2 388.496 4.393 20 0 GIADLO CC(C)(C)OCc1cc(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)no1 ZINC000186430821 822893866 /nfs/dbraw/zinc/89/38/66/822893866.db2.gz BDFNWTKLEGWYPH-UHFFFAOYSA-N 1 2 390.377 4.360 20 0 GIADLO CC[N@H+](CCc1ccccc1)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000054545019 822894298 /nfs/dbraw/zinc/89/42/98/822894298.db2.gz LTIHGBZHQUVICU-UHFFFAOYSA-N 1 2 382.533 4.149 20 0 GIADLO CC[N@@H+](CCc1ccccc1)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000054545019 822894302 /nfs/dbraw/zinc/89/43/02/822894302.db2.gz LTIHGBZHQUVICU-UHFFFAOYSA-N 1 2 382.533 4.149 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000569221968 822894375 /nfs/dbraw/zinc/89/43/75/822894375.db2.gz KYLMBOIWGGTPRL-CQSZACIVSA-N 1 2 391.258 4.326 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)[C@@H](C)c1nc2ccccc2s1 ZINC000186433670 822894624 /nfs/dbraw/zinc/89/46/24/822894624.db2.gz RYROKVKBDAMGCT-HUUCEWRRSA-N 1 2 393.516 4.275 20 0 GIADLO C[C@H](c1nnc(SCc2cccc(N)c2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000569259667 822897844 /nfs/dbraw/zinc/89/78/44/822897844.db2.gz IILGEUPIERTEEV-CYBMUJFWSA-N 1 2 387.940 4.418 20 0 GIADLO COC[C@@H]1CCCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000569311606 822905744 /nfs/dbraw/zinc/90/57/44/822905744.db2.gz YOBDHAVXFDVOII-QGZVFWFLSA-N 1 2 382.508 4.167 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC3(C2)CCCCC3)C[C@@H](C)O1 ZINC000175212776 822905762 /nfs/dbraw/zinc/90/57/62/822905762.db2.gz UPFJAJTZMRDNRY-RTBURBONSA-N 1 2 385.552 4.484 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2Cc3ccccc3C[C@@H]2C)C[C@@H](C)O1 ZINC000175213090 822905771 /nfs/dbraw/zinc/90/57/71/822905771.db2.gz SPKPPNGICOYTQH-IPMKNSEASA-N 1 2 393.531 4.275 20 0 GIADLO C[C@H]1CC[C@@](C)(C(=O)N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)C1(C)C ZINC000457719002 822910449 /nfs/dbraw/zinc/91/04/49/822910449.db2.gz AYRSJSCSMDWZJN-FVJLSDCUSA-N 1 2 389.609 4.418 20 0 GIADLO C[C@H]1CC[C@@](C)(C(=O)N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)C1(C)C ZINC000457719002 822910451 /nfs/dbraw/zinc/91/04/51/822910451.db2.gz AYRSJSCSMDWZJN-FVJLSDCUSA-N 1 2 389.609 4.418 20 0 GIADLO C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1c1cccc(F)c1 ZINC000175234084 822910549 /nfs/dbraw/zinc/91/05/49/822910549.db2.gz ZRRFCVYUFXDOFF-HRAATJIYSA-N 1 2 382.483 4.114 20 0 GIADLO Fc1cc(Br)cc(F)c1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000186551944 822911740 /nfs/dbraw/zinc/91/17/40/822911740.db2.gz YTLZLHHBBKUVGT-UHFFFAOYSA-N 1 2 378.220 4.203 20 0 GIADLO Fc1ccc(-c2cn(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)c(=S)o2)cc1 ZINC000175253363 822915421 /nfs/dbraw/zinc/91/54/21/822915421.db2.gz YZHCLKFNVJYXMC-GOSISDBHSA-N 1 2 392.496 4.234 20 0 GIADLO CN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000457799769 822920433 /nfs/dbraw/zinc/92/04/33/822920433.db2.gz XEMHUMSEHIHFSC-LEWJYISDSA-N 1 2 378.520 4.028 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC(c2ccsc2)CC1 ZINC000186680957 822936214 /nfs/dbraw/zinc/93/62/14/822936214.db2.gz QXWBVMJTLSFNDE-UHFFFAOYSA-N 1 2 380.517 4.082 20 0 GIADLO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175364166 822947280 /nfs/dbraw/zinc/94/72/80/822947280.db2.gz RWEWUAJWIRRHFL-UGKGYDQZSA-N 1 2 388.515 4.062 20 0 GIADLO Cc1cc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1C(F)(F)F ZINC000569633684 822947892 /nfs/dbraw/zinc/94/78/92/822947892.db2.gz HZXDRQSPHXYGSH-UHFFFAOYSA-N 1 2 381.379 4.000 20 0 GIADLO FC(F)(F)c1nnc(N2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)s1 ZINC000186751885 822949798 /nfs/dbraw/zinc/94/97/98/822949798.db2.gz BUCLUTSICXUWHS-CYBMUJFWSA-N 1 2 388.846 4.020 20 0 GIADLO FC(F)Oc1ccccc1-c1noc(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000569653234 822950792 /nfs/dbraw/zinc/95/07/92/822950792.db2.gz MDMONRGTVLCSNJ-UHFFFAOYSA-N 1 2 382.370 4.174 20 0 GIADLO CCCc1c(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)[nH]c(C)c1C(C)=O ZINC000569701546 822956591 /nfs/dbraw/zinc/95/65/91/822956591.db2.gz DMXCMVIDGVFNKZ-UHFFFAOYSA-N 1 2 398.894 4.247 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000175393463 822957094 /nfs/dbraw/zinc/95/70/94/822957094.db2.gz GDFNIHNZAVXZQS-CEXHIMGSSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000175393463 822957096 /nfs/dbraw/zinc/95/70/96/822957096.db2.gz GDFNIHNZAVXZQS-CEXHIMGSSA-N 1 2 398.450 4.074 20 0 GIADLO O=C(c1cnn(C2CCCC2)c1-c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000569709781 822957828 /nfs/dbraw/zinc/95/78/28/822957828.db2.gz SIFRQJXRQFFYFE-UHFFFAOYSA-N 1 2 389.503 4.339 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)ccc1OC(F)F ZINC000186804650 822958340 /nfs/dbraw/zinc/95/83/40/822958340.db2.gz IWHABDAOOIJVAB-GFCCVEGCSA-N 1 2 384.423 4.451 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000175420877 822964463 /nfs/dbraw/zinc/96/44/63/822964463.db2.gz XQDMDPPISALNCE-QWVSSGJLSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000175420877 822964466 /nfs/dbraw/zinc/96/44/66/822964466.db2.gz XQDMDPPISALNCE-QWVSSGJLSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[C@@H]1c1ccccc1 ZINC000175434685 822968052 /nfs/dbraw/zinc/96/80/52/822968052.db2.gz SUXPQSMYNNDJLA-XXBNENTESA-N 1 2 388.515 4.267 20 0 GIADLO C[C@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[C@@H]1c1ccccc1 ZINC000175434709 822968128 /nfs/dbraw/zinc/96/81/28/822968128.db2.gz SUXPQSMYNNDJLA-CVDCTZTESA-N 1 2 388.515 4.267 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000175474865 822977609 /nfs/dbraw/zinc/97/76/09/822977609.db2.gz KNTUGZHXTOHNPR-UHFFFAOYSA-N 1 2 394.450 4.324 20 0 GIADLO COc1ccc([C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c2ccccc2Cl)c(C)c1 ZINC000569864424 822977969 /nfs/dbraw/zinc/97/79/69/822977969.db2.gz OFYXYGQQTKAAOE-VFNWGFHPSA-N 1 2 397.906 4.465 20 0 GIADLO COc1ccc([C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c2ccccc2Cl)c(C)c1 ZINC000569864424 822977971 /nfs/dbraw/zinc/97/79/71/822977971.db2.gz OFYXYGQQTKAAOE-VFNWGFHPSA-N 1 2 397.906 4.465 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000569905340 822984088 /nfs/dbraw/zinc/98/40/88/822984088.db2.gz YQCDHAVWKXUZJV-FUHWJXTLSA-N 1 2 386.927 4.351 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1nc(C2CC2)c(C)o1 ZINC000569925176 822986410 /nfs/dbraw/zinc/98/64/10/822986410.db2.gz MFHYKRNTKIKOGV-UHFFFAOYSA-N 1 2 383.496 4.026 20 0 GIADLO O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000569929059 822986836 /nfs/dbraw/zinc/98/68/36/822986836.db2.gz ZYIXMBVUILVHNZ-UHFFFAOYSA-N 1 2 382.851 4.270 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000175510205 822987067 /nfs/dbraw/zinc/98/70/67/822987067.db2.gz ZATJKYHLIPLMGB-FXAWDEMLSA-N 1 2 394.544 4.118 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000175510205 822987071 /nfs/dbraw/zinc/98/70/71/822987071.db2.gz ZATJKYHLIPLMGB-FXAWDEMLSA-N 1 2 394.544 4.118 20 0 GIADLO C[C@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[C@H]1c1ccccc1 ZINC000175563085 822998319 /nfs/dbraw/zinc/99/83/19/822998319.db2.gz ZMNURVTUOURQFN-WMZHIEFXSA-N 1 2 388.515 4.267 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C/C=C/c2ccccc2F)C[C@H](C)O1 ZINC000175592298 823003548 /nfs/dbraw/zinc/00/35/48/823003548.db2.gz GRAXRRMDUURGHC-BZYKYNINSA-N 1 2 382.479 4.477 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C/C=C/c2ccccc2F)C[C@H](C)O1 ZINC000175592298 823003552 /nfs/dbraw/zinc/00/35/52/823003552.db2.gz GRAXRRMDUURGHC-BZYKYNINSA-N 1 2 382.479 4.477 20 0 GIADLO Cc1cccc(Oc2ccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)nc2)c1 ZINC000570189340 823013575 /nfs/dbraw/zinc/01/35/75/823013575.db2.gz QAUMWCHATKMFLO-OXJNMPFZSA-N 1 2 392.459 4.158 20 0 GIADLO Cc1cccc(Oc2ccc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)nc2)c1 ZINC000570189340 823013578 /nfs/dbraw/zinc/01/35/78/823013578.db2.gz QAUMWCHATKMFLO-OXJNMPFZSA-N 1 2 392.459 4.158 20 0 GIADLO O=C(NCc1nc(C[N@@H+]2CCCc3ccccc3C2)cs1)c1ccccc1 ZINC000175657884 823014398 /nfs/dbraw/zinc/01/43/98/823014398.db2.gz NSADPIHAUAVXTO-UHFFFAOYSA-N 1 2 377.513 4.022 20 0 GIADLO O=C(NCc1nc(C[N@H+]2CCCc3ccccc3C2)cs1)c1ccccc1 ZINC000175657884 823014401 /nfs/dbraw/zinc/01/44/01/823014401.db2.gz NSADPIHAUAVXTO-UHFFFAOYSA-N 1 2 377.513 4.022 20 0 GIADLO CC(C)Oc1cccc([C@@H](NC2CCN(c3cccc[nH+]3)CC2)C(F)F)c1 ZINC000570270575 823021527 /nfs/dbraw/zinc/02/15/27/823021527.db2.gz XYPANDJKLNXWGW-HXUWFJFHSA-N 1 2 375.463 4.434 20 0 GIADLO CC(C)(C)[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(F)c1 ZINC000175694932 823022041 /nfs/dbraw/zinc/02/20/41/823022041.db2.gz HXNAGGJOAWKITP-HXUWFJFHSA-N 1 2 384.499 4.408 20 0 GIADLO Cc1ccc(C[S@@](=O)CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)c(C)[nH+]1 ZINC000187221004 823026911 /nfs/dbraw/zinc/02/69/11/823026911.db2.gz RQAMCABRYGQDLA-XGCWNURASA-N 1 2 386.561 4.023 20 0 GIADLO Cc1ccc(C[S@@](=O)[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c(C)[nH+]1 ZINC000187222298 823027023 /nfs/dbraw/zinc/02/70/23/823027023.db2.gz SGRWNYROVCWABH-RMKBEBRYSA-N 1 2 389.908 4.336 20 0 GIADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175737328 823029506 /nfs/dbraw/zinc/02/95/06/823029506.db2.gz APJCCVCLIUJKCZ-MRXNPFEDSA-N 1 2 377.513 4.020 20 0 GIADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175737328 823029509 /nfs/dbraw/zinc/02/95/09/823029509.db2.gz APJCCVCLIUJKCZ-MRXNPFEDSA-N 1 2 377.513 4.020 20 0 GIADLO Cc1cccn2cc(Cc3noc(C4(CCOCc5ccccc5)CC4)n3)[nH+]c12 ZINC000570431703 823037370 /nfs/dbraw/zinc/03/73/70/823037370.db2.gz ADDLXTVXUWMASE-UHFFFAOYSA-N 1 2 388.471 4.255 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(N(CC)CC)cc1 ZINC000175778082 823038074 /nfs/dbraw/zinc/03/80/74/823038074.db2.gz YUOOGEYMJWCPFW-UHFFFAOYSA-N 1 2 394.563 4.307 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000570440991 823038782 /nfs/dbraw/zinc/03/87/82/823038782.db2.gz RWIQRPHOVPXWKR-QHCPKHFHSA-N 1 2 377.463 4.271 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)c(C)[nH+]1 ZINC000411128049 823550361 /nfs/dbraw/zinc/55/03/61/823550361.db2.gz RAMIZBFXEUJONN-SNVBAGLBSA-N 1 2 398.265 4.269 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c(C)[nH+]1 ZINC000411153868 823552320 /nfs/dbraw/zinc/55/23/20/823552320.db2.gz KLYARTULUWKKQW-UHFFFAOYSA-N 1 2 379.504 4.260 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c(C)[nH+]1 ZINC000411160443 823553060 /nfs/dbraw/zinc/55/30/60/823553060.db2.gz XBLVPIAVYJSUHW-HXUWFJFHSA-N 1 2 383.467 4.132 20 0 GIADLO Fc1c(F)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(F)c(F)c1Br ZINC000411170486 823553946 /nfs/dbraw/zinc/55/39/46/823553946.db2.gz XEULPJFAXNIMQP-QMMMGPOBSA-N 1 2 382.195 4.006 20 0 GIADLO Fc1c(F)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(F)c(F)c1Br ZINC000411170486 823553949 /nfs/dbraw/zinc/55/39/49/823553949.db2.gz XEULPJFAXNIMQP-QMMMGPOBSA-N 1 2 382.195 4.006 20 0 GIADLO CCOCc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000123954083 823554897 /nfs/dbraw/zinc/55/48/97/823554897.db2.gz XAKNDXVBFSWFSI-FGZHOGPDSA-N 1 2 390.487 4.470 20 0 GIADLO CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)Cc1ccsc1 ZINC000190261212 823557454 /nfs/dbraw/zinc/55/74/54/823557454.db2.gz DYXYLJKVUMVCMZ-QGZVFWFLSA-N 1 2 382.533 4.156 20 0 GIADLO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NNc1cc[nH+]cc1Cl ZINC000190297091 823560161 /nfs/dbraw/zinc/56/01/61/823560161.db2.gz WFCQTHYJUFYQLQ-UHFFFAOYSA-N 1 2 396.756 4.474 20 0 GIADLO CCCOc1c(Cl)cc(C[NH2+]Cc2nnc3n2CCCCC3)cc1OCC ZINC000060833130 823560999 /nfs/dbraw/zinc/56/09/99/823560999.db2.gz RVROIPTWICVHHJ-UHFFFAOYSA-N 1 2 392.931 4.135 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)c(C)[nH+]1 ZINC000411296623 823562811 /nfs/dbraw/zinc/56/28/11/823562811.db2.gz GYAHXMQSBIWVSG-HXUWFJFHSA-N 1 2 383.467 4.132 20 0 GIADLO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cn2nc(-c3ccc(F)cc3)ccc2=O)c1 ZINC000124052569 823563297 /nfs/dbraw/zinc/56/32/97/823563297.db2.gz ZXUYIBUWGXIECN-QFIPXVFZSA-N 1 2 377.463 4.461 20 0 GIADLO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cn2nc(-c3ccc(F)cc3)ccc2=O)c1 ZINC000124052569 823563301 /nfs/dbraw/zinc/56/33/01/823563301.db2.gz ZXUYIBUWGXIECN-QFIPXVFZSA-N 1 2 377.463 4.461 20 0 GIADLO C[C@H](C[N@H+](C)Cc1nnc(C2CCC2)n1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190358432 823566126 /nfs/dbraw/zinc/56/61/26/823566126.db2.gz RXZKZJLZQCFTPD-GFCCVEGCSA-N 1 2 383.323 4.289 20 0 GIADLO C[C@H](C[N@@H+](C)Cc1nnc(C2CCC2)n1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190358432 823566128 /nfs/dbraw/zinc/56/61/28/823566128.db2.gz RXZKZJLZQCFTPD-GFCCVEGCSA-N 1 2 383.323 4.289 20 0 GIADLO CC[C@@H](C[N@H+](C)Cc1nc([C@@H](C)OC)no1)Oc1ccc(Cl)c(Cl)c1 ZINC000190382882 823568048 /nfs/dbraw/zinc/56/80/48/823568048.db2.gz TWVZTQHSQPIEPB-NEPJUHHUSA-N 1 2 388.295 4.373 20 0 GIADLO CC[C@@H](C[N@@H+](C)Cc1nc([C@@H](C)OC)no1)Oc1ccc(Cl)c(Cl)c1 ZINC000190382882 823568050 /nfs/dbraw/zinc/56/80/50/823568050.db2.gz TWVZTQHSQPIEPB-NEPJUHHUSA-N 1 2 388.295 4.373 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(CCc2ccccc2F)C2CCCC2)c(C)[nH+]1 ZINC000411385618 823568409 /nfs/dbraw/zinc/56/84/09/823568409.db2.gz PEJDSKASYNFEFX-UHFFFAOYSA-N 1 2 397.494 4.098 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(Cc2cccs2)Cc2cccs2)c(C)[nH+]1 ZINC000411388828 823568754 /nfs/dbraw/zinc/56/87/54/823568754.db2.gz OXKBANZKZAAESG-UHFFFAOYSA-N 1 2 399.541 4.297 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(CCc2ccc(F)cc2)C2CCCC2)c(C)[nH+]1 ZINC000411430664 823573390 /nfs/dbraw/zinc/57/33/90/823573390.db2.gz TWEWSGROWMWBOK-UHFFFAOYSA-N 1 2 397.494 4.098 20 0 GIADLO CCc1ccc(CN(C)C(=O)C[N@H+](C)Cc2cc(Br)cs2)cc1 ZINC000061041818 823574978 /nfs/dbraw/zinc/57/49/78/823574978.db2.gz QQFIZQXWUMOSAT-UHFFFAOYSA-N 1 2 395.366 4.163 20 0 GIADLO CCc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2cc(Br)cs2)cc1 ZINC000061041818 823574981 /nfs/dbraw/zinc/57/49/81/823574981.db2.gz QQFIZQXWUMOSAT-UHFFFAOYSA-N 1 2 395.366 4.163 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2nc(N)c3ccccc3n2)ccc1OCCC(C)C ZINC000411448000 823575362 /nfs/dbraw/zinc/57/53/62/823575362.db2.gz DMSSIADQCDHZDU-MRXNPFEDSA-N 1 2 394.519 4.327 20 0 GIADLO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCSC[C@@H](C)C2)cs1 ZINC000190449134 823575986 /nfs/dbraw/zinc/57/59/86/823575986.db2.gz BEZCIYODFCZKCR-AWEZNQCLSA-N 1 2 391.562 4.021 20 0 GIADLO COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCSC[C@@H](C)C2)cs1 ZINC000190449134 823575987 /nfs/dbraw/zinc/57/59/87/823575987.db2.gz BEZCIYODFCZKCR-AWEZNQCLSA-N 1 2 391.562 4.021 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(Cl)c(F)c2)C[C@H](C)O1 ZINC000124196589 823576496 /nfs/dbraw/zinc/57/64/96/823576496.db2.gz YQBUEBYDJSHCMN-KBPBESRZSA-N 1 2 376.859 4.341 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)c(C)[nH+]1 ZINC000411466495 823578110 /nfs/dbraw/zinc/57/81/10/823578110.db2.gz RTUJSVXVTSGBMA-UHFFFAOYSA-N 1 2 393.409 4.424 20 0 GIADLO C[N@H+](Cc1cn2cccnc2n1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000124250873 823581160 /nfs/dbraw/zinc/58/11/60/823581160.db2.gz GLHXJRJDQLDRRN-UHFFFAOYSA-N 1 2 394.482 4.214 20 0 GIADLO C[N@@H+](Cc1cn2cccnc2n1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000124250873 823581163 /nfs/dbraw/zinc/58/11/63/823581163.db2.gz GLHXJRJDQLDRRN-UHFFFAOYSA-N 1 2 394.482 4.214 20 0 GIADLO CC(C)C[C@@H]([NH2+]Cc1nc(N)nc(Nc2ccc(F)cc2)n1)c1cccs1 ZINC000411512990 823583033 /nfs/dbraw/zinc/58/30/33/823583033.db2.gz NUVGRSXVYUPUAX-OAHLLOKOSA-N 1 2 386.500 4.105 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1nc(C(F)(F)F)cs1 ZINC000411521812 823584333 /nfs/dbraw/zinc/58/43/33/823584333.db2.gz ZMIBFFXGZNRBDC-MELADBBJSA-N 1 2 389.487 4.384 20 0 GIADLO CCOc1ccc(-c2nc(C[NH+]3CCC(Oc4ccc(F)nc4)CC3)co2)cc1 ZINC000190538475 823584447 /nfs/dbraw/zinc/58/44/47/823584447.db2.gz VUBJZZOCVAGCGC-UHFFFAOYSA-N 1 2 397.450 4.318 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccccc2Cl)CC2CC2)c(C)[nH+]1 ZINC000411532348 823585310 /nfs/dbraw/zinc/58/53/10/823585310.db2.gz LBDPGGQBKFAWPN-UHFFFAOYSA-N 1 2 385.895 4.038 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1C ZINC000411560258 823588016 /nfs/dbraw/zinc/58/80/16/823588016.db2.gz XFZNVKZSLSWHAM-LJQANCHMSA-N 1 2 381.520 4.447 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1C ZINC000411560258 823588021 /nfs/dbraw/zinc/58/80/21/823588021.db2.gz XFZNVKZSLSWHAM-LJQANCHMSA-N 1 2 381.520 4.447 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000124384451 823592204 /nfs/dbraw/zinc/59/22/04/823592204.db2.gz ARLZIVCADIVWSF-UHFFFAOYSA-N 1 2 391.500 4.295 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cc(F)cc(F)c2Br)C[C@H]1n1cc[nH+]c1 ZINC000190644595 823594838 /nfs/dbraw/zinc/59/48/38/823594838.db2.gz QZCGCGLECBCIBQ-IINYFYTJSA-N 1 2 399.239 4.039 20 0 GIADLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2cnc3ccc(C)cc3c2)sc1C ZINC000411658015 823595077 /nfs/dbraw/zinc/59/50/77/823595077.db2.gz KFWWMDPJPHARAE-SFHVURJKSA-N 1 2 381.501 4.432 20 0 GIADLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2cnc3ccc(C)cc3c2)sc1C ZINC000411658015 823595080 /nfs/dbraw/zinc/59/50/80/823595080.db2.gz KFWWMDPJPHARAE-SFHVURJKSA-N 1 2 381.501 4.432 20 0 GIADLO Clc1cc(Br)cc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000411674710 823596448 /nfs/dbraw/zinc/59/64/48/823596448.db2.gz YXOFPZARDBMEPQ-KRWDZBQOSA-N 1 2 381.701 4.289 20 0 GIADLO Clc1cc(Br)cc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000411674710 823596451 /nfs/dbraw/zinc/59/64/51/823596451.db2.gz YXOFPZARDBMEPQ-KRWDZBQOSA-N 1 2 381.701 4.289 20 0 GIADLO CCc1nc(C(C)(C)[NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)no1 ZINC000411692217 823597582 /nfs/dbraw/zinc/59/75/82/823597582.db2.gz IWKFDOBEGJOCCJ-UHFFFAOYSA-N 1 2 394.475 4.278 20 0 GIADLO O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000461240577 823602883 /nfs/dbraw/zinc/60/28/83/823602883.db2.gz NLEVJHLPAUQKOF-UHFFFAOYSA-N 1 2 397.360 4.329 20 0 GIADLO Clc1ccc(Cc2nc(CN3CC[NH+](Cc4ccncc4)CC3)cs2)cc1 ZINC000124517633 823602939 /nfs/dbraw/zinc/60/29/39/823602939.db2.gz WCHZPDDQKQNUMG-UHFFFAOYSA-N 1 2 398.963 4.100 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)c(C)[nH+]1 ZINC000411822082 823608572 /nfs/dbraw/zinc/60/85/72/823608572.db2.gz RUZOZVAYCDFZGY-PNHOKKKMSA-N 1 2 379.504 4.034 20 0 GIADLO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000461265865 823608867 /nfs/dbraw/zinc/60/88/67/823608867.db2.gz PBYKCPXTVLOLKV-RDJZCZTQSA-N 1 2 393.453 4.238 20 0 GIADLO Cc1ccc(C[C@H](C)N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000124592840 823609260 /nfs/dbraw/zinc/60/92/60/823609260.db2.gz PPFWGGVDUORUJE-KRWDZBQOSA-N 1 2 380.467 4.092 20 0 GIADLO FC[C@@H]1C[N@H+](Cc2csc(-c3cccc(Br)c3)n2)CCCO1 ZINC000411853929 823611154 /nfs/dbraw/zinc/61/11/54/823611154.db2.gz OFXWXHAADNTKIF-OAHLLOKOSA-N 1 2 385.302 4.133 20 0 GIADLO FC[C@@H]1C[N@@H+](Cc2csc(-c3cccc(Br)c3)n2)CCCO1 ZINC000411853929 823611155 /nfs/dbraw/zinc/61/11/55/823611155.db2.gz OFXWXHAADNTKIF-OAHLLOKOSA-N 1 2 385.302 4.133 20 0 GIADLO CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@H+](C)Cc1ccco1 ZINC000061783475 823613938 /nfs/dbraw/zinc/61/39/38/823613938.db2.gz XAGVINUSBZWNTQ-UHFFFAOYSA-N 1 2 392.499 4.339 20 0 GIADLO CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000061783475 823613941 /nfs/dbraw/zinc/61/39/41/823613941.db2.gz XAGVINUSBZWNTQ-UHFFFAOYSA-N 1 2 392.499 4.339 20 0 GIADLO COc1ccc2c(c1NC(=O)CSCc1cn3cc(C)ccc3[nH+]1)CCC2 ZINC000190844454 823615527 /nfs/dbraw/zinc/61/55/27/823615527.db2.gz IWXJDKPVJNKBKZ-UHFFFAOYSA-N 1 2 381.501 4.012 20 0 GIADLO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(Br)s3)C2)Oc2ccccc21 ZINC000411987426 823618179 /nfs/dbraw/zinc/61/81/79/823618179.db2.gz PPVRLBFUGKCRLX-QGZVFWFLSA-N 1 2 378.291 4.121 20 0 GIADLO O=C1C[C@@]2(CC[N@H+](Cc3ccc(Br)s3)C2)Oc2ccccc21 ZINC000411987426 823618180 /nfs/dbraw/zinc/61/81/80/823618180.db2.gz PPVRLBFUGKCRLX-QGZVFWFLSA-N 1 2 378.291 4.121 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1C ZINC000411995779 823619484 /nfs/dbraw/zinc/61/94/84/823619484.db2.gz FAALKQCUOWGYNR-HXOBKFHXSA-N 1 2 394.515 4.259 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1C ZINC000411995779 823619485 /nfs/dbraw/zinc/61/94/85/823619485.db2.gz FAALKQCUOWGYNR-HXOBKFHXSA-N 1 2 394.515 4.259 20 0 GIADLO CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000461336508 823619828 /nfs/dbraw/zinc/61/98/28/823619828.db2.gz XFTHOEBQDIBQAS-DBVUQKKJSA-N 1 2 376.422 4.159 20 0 GIADLO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000461336508 823619830 /nfs/dbraw/zinc/61/98/30/823619830.db2.gz XFTHOEBQDIBQAS-DBVUQKKJSA-N 1 2 376.422 4.159 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)Cc3cc4c(ccc5ccccc45)o3)sc2C1 ZINC000124718206 823620516 /nfs/dbraw/zinc/62/05/16/823620516.db2.gz RKYUFYNKBCUUOH-UHFFFAOYSA-N 1 2 377.469 4.212 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)Cc3cc4c(ccc5ccccc45)o3)sc2C1 ZINC000124718206 823620519 /nfs/dbraw/zinc/62/05/19/823620519.db2.gz RKYUFYNKBCUUOH-UHFFFAOYSA-N 1 2 377.469 4.212 20 0 GIADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000412010753 823622464 /nfs/dbraw/zinc/62/24/64/823622464.db2.gz JEVULQJSXLGKDP-QFIPXVFZSA-N 1 2 399.556 4.013 20 0 GIADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000412010753 823622465 /nfs/dbraw/zinc/62/24/65/823622465.db2.gz JEVULQJSXLGKDP-QFIPXVFZSA-N 1 2 399.556 4.013 20 0 GIADLO Cc1ccnc(-c2noc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCCC3)n2)c1 ZINC000412012341 823622612 /nfs/dbraw/zinc/62/26/12/823622612.db2.gz XGYRXKCMNLUXJM-OAQYLSRUSA-N 1 2 392.503 4.214 20 0 GIADLO CCOC(=O)c1csc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)n1 ZINC000412013141 823622659 /nfs/dbraw/zinc/62/26/59/823622659.db2.gz ZZNSMHFTYVUOQP-IBGZPJMESA-N 1 2 388.533 4.094 20 0 GIADLO CC[N@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1occc1C ZINC000412048703 823624321 /nfs/dbraw/zinc/62/43/21/823624321.db2.gz XECHJXTYCDRYJE-UHFFFAOYSA-N 1 2 376.254 4.423 20 0 GIADLO CC[N@@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1occc1C ZINC000412048703 823624322 /nfs/dbraw/zinc/62/43/22/823624322.db2.gz XECHJXTYCDRYJE-UHFFFAOYSA-N 1 2 376.254 4.423 20 0 GIADLO Cc1sc2[nH]c(C[N@H+]3CCC[C@@H](CO)[C@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000412062507 823625321 /nfs/dbraw/zinc/62/53/21/823625321.db2.gz ARWRDKGWYPLLBE-PBHICJAKSA-N 1 2 397.544 4.274 20 0 GIADLO Cc1sc2[nH]c(C[N@@H+]3CCC[C@@H](CO)[C@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000412062507 823625324 /nfs/dbraw/zinc/62/53/24/823625324.db2.gz ARWRDKGWYPLLBE-PBHICJAKSA-N 1 2 397.544 4.274 20 0 GIADLO O=C(c1ccc(F)cc1Cl)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000461384449 823627336 /nfs/dbraw/zinc/62/73/36/823627336.db2.gz HNGKHKCCGYJJNC-UHFFFAOYSA-N 1 2 382.813 4.375 20 0 GIADLO COc1cccc(Nc2ccccc2C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000124906483 823635762 /nfs/dbraw/zinc/63/57/62/823635762.db2.gz YWDBHUKOMDVKOX-VGSWGCGISA-N 1 2 390.487 4.359 20 0 GIADLO Cc1c(-c2cc(CSCc3ccc(-n4cc[nH+]c4)cc3C)on2)cnn1C ZINC000191019412 823638678 /nfs/dbraw/zinc/63/86/78/823638678.db2.gz BMKYYGHDNFAXCL-UHFFFAOYSA-N 1 2 379.489 4.311 20 0 GIADLO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000191039252 823641215 /nfs/dbraw/zinc/64/12/15/823641215.db2.gz YMPUTRLLYVKQIU-UHFFFAOYSA-N 1 2 375.394 4.272 20 0 GIADLO CC[N@H+](Cc1ccc(C(F)(F)F)cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000191039252 823641217 /nfs/dbraw/zinc/64/12/17/823641217.db2.gz YMPUTRLLYVKQIU-UHFFFAOYSA-N 1 2 375.394 4.272 20 0 GIADLO COc1ccc2cc([C@H](C)C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000125009768 823644806 /nfs/dbraw/zinc/64/48/06/823644806.db2.gz BJRJAQAMBADSAS-HYFFOGBASA-N 1 2 377.488 4.258 20 0 GIADLO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000191104660 823649721 /nfs/dbraw/zinc/64/97/21/823649721.db2.gz PGPANHMGIWJRSR-HDMKZQKVSA-N 1 2 394.441 4.298 20 0 GIADLO Cc1ccc(C)c(OCCCCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000063097938 823651503 /nfs/dbraw/zinc/65/15/03/823651503.db2.gz XSFFMMFSQKRKTB-UHFFFAOYSA-N 1 2 377.488 4.355 20 0 GIADLO C=CC[N@@H+](CC(=O)Nc1ccc(N(CC)C(C)C)cc1)Cc1cccc(C#N)c1 ZINC000063300191 823660973 /nfs/dbraw/zinc/66/09/73/823660973.db2.gz YDPJHYHOHYMPJV-UHFFFAOYSA-N 1 2 390.531 4.420 20 0 GIADLO C=CC[N@H+](CC(=O)Nc1ccc(N(CC)C(C)C)cc1)Cc1cccc(C#N)c1 ZINC000063300191 823660975 /nfs/dbraw/zinc/66/09/75/823660975.db2.gz YDPJHYHOHYMPJV-UHFFFAOYSA-N 1 2 390.531 4.420 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000125235973 823661259 /nfs/dbraw/zinc/66/12/59/823661259.db2.gz KBEZYHBIECSUHJ-UHFFFAOYSA-N 1 2 388.871 4.448 20 0 GIADLO COc1ccc(-c2noc(C[N@H+](C)[C@@H](C)c3ccc(F)c(F)c3)n2)c(OC)c1 ZINC000125238683 823661444 /nfs/dbraw/zinc/66/14/44/823661444.db2.gz TUBJGKZDHRDMDV-LBPRGKRZSA-N 1 2 389.402 4.225 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+](C)[C@@H](C)c3ccc(F)c(F)c3)n2)c(OC)c1 ZINC000125238683 823661448 /nfs/dbraw/zinc/66/14/48/823661448.db2.gz TUBJGKZDHRDMDV-LBPRGKRZSA-N 1 2 389.402 4.225 20 0 GIADLO C[C@@H](c1nnc(SC[C@@H](O)C2CCCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191240375 823662347 /nfs/dbraw/zinc/66/23/47/823662347.db2.gz LFTCKFFKGAOVGH-KBXCAEBGSA-N 1 2 392.544 4.062 20 0 GIADLO C[C@H](c1nnc(SC[C@@H](O)C2CCCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191240387 823662382 /nfs/dbraw/zinc/66/23/82/823662382.db2.gz LFTCKFFKGAOVGH-RDTXWAMCSA-N 1 2 392.544 4.062 20 0 GIADLO Cc1cccc(C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000063335945 823663920 /nfs/dbraw/zinc/66/39/20/823663920.db2.gz PWXCPFCLICHOHU-UHFFFAOYSA-N 1 2 380.536 4.157 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000125275993 823664157 /nfs/dbraw/zinc/66/41/57/823664157.db2.gz MOEQBHNWUKJEDB-GCJKJVERSA-N 1 2 375.472 4.185 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000125276161 823664248 /nfs/dbraw/zinc/66/42/48/823664248.db2.gz MOEQBHNWUKJEDB-AVRDEDQJSA-N 1 2 375.472 4.185 20 0 GIADLO COc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1SC(F)(F)F ZINC000125280462 823664582 /nfs/dbraw/zinc/66/45/82/823664582.db2.gz HRDYGDXWVMVRMX-UHFFFAOYSA-N 1 2 397.466 4.020 20 0 GIADLO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000191291774 823668113 /nfs/dbraw/zinc/66/81/13/823668113.db2.gz QRBNCVNOSXMOAL-UHFFFAOYSA-N 1 2 388.830 4.009 20 0 GIADLO CCCOc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(C)c1 ZINC000125382584 823671955 /nfs/dbraw/zinc/67/19/55/823671955.db2.gz VLUUMRMFUZIVBP-UHFFFAOYSA-N 1 2 382.508 4.491 20 0 GIADLO C[N@@H+](Cc1nc(C(C)(C)C)cs1)[C@H](CO)c1cccc(Br)c1 ZINC000125556905 823684936 /nfs/dbraw/zinc/68/49/36/823684936.db2.gz AZBHRJJYCXNXCV-CQSZACIVSA-N 1 2 383.355 4.369 20 0 GIADLO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(Br)c1OC ZINC000125410896 823674089 /nfs/dbraw/zinc/67/40/89/823674089.db2.gz JFHVIPIVMPUSDB-HNNXBMFYSA-N 1 2 377.282 4.198 20 0 GIADLO COc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)c(Br)c1OC ZINC000125410896 823674091 /nfs/dbraw/zinc/67/40/91/823674091.db2.gz JFHVIPIVMPUSDB-HNNXBMFYSA-N 1 2 377.282 4.198 20 0 GIADLO Cc1ccc(NC(=O)C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1C ZINC000063512579 823677378 /nfs/dbraw/zinc/67/73/78/823677378.db2.gz SVJFCNYWFOYRSH-HSZRJFAPSA-N 1 2 387.483 4.212 20 0 GIADLO C[N@H+](Cc1nc(C(C)(C)C)cs1)[C@H](CO)c1cccc(Br)c1 ZINC000125556905 823684934 /nfs/dbraw/zinc/68/49/34/823684934.db2.gz AZBHRJJYCXNXCV-CQSZACIVSA-N 1 2 383.355 4.369 20 0 GIADLO CCn1c(Cc2ccccc2)nnc1SCc1ccc(-n2cc[nH+]c2)cc1 ZINC000191457543 823687310 /nfs/dbraw/zinc/68/73/10/823687310.db2.gz ACONBFDDJUTTPG-UHFFFAOYSA-N 1 2 375.501 4.367 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3ccc(Br)o3)C2)n1 ZINC000191473688 823688969 /nfs/dbraw/zinc/68/89/69/823688969.db2.gz JXFWIRLTMFAKNM-JTQLQIEISA-N 1 2 378.192 4.095 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3ccc(Br)o3)C2)n1 ZINC000191473688 823688970 /nfs/dbraw/zinc/68/89/70/823688970.db2.gz JXFWIRLTMFAKNM-JTQLQIEISA-N 1 2 378.192 4.095 20 0 GIADLO Cc1nnc([C@@H](C)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1 ZINC000125632767 823691751 /nfs/dbraw/zinc/69/17/51/823691751.db2.gz DZLCQCAODHOKBM-IIBYNOLFSA-N 1 2 396.922 4.500 20 0 GIADLO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000461773335 823693872 /nfs/dbraw/zinc/69/38/72/823693872.db2.gz DPKANFOHRKMPHP-FQEVSTJZSA-N 1 2 387.911 4.055 20 0 GIADLO COc1ccccc1-c1csc(C2CC[NH+]([C@@H](C)c3nnc(C)o3)CC2)n1 ZINC000191517587 823694583 /nfs/dbraw/zinc/69/45/83/823694583.db2.gz BKFLOCDOSZJDST-ZDUSSCGKSA-N 1 2 384.505 4.451 20 0 GIADLO CC1(C)CC[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000063788656 823696270 /nfs/dbraw/zinc/69/62/70/823696270.db2.gz JWAUEYXSGJIBAC-HXUWFJFHSA-N 1 2 378.520 4.162 20 0 GIADLO C[C@@H]([NH2+]Cc1cn(C)nc1-c1cccs1)c1nc(-c2cccc(F)c2)no1 ZINC000191532969 823696499 /nfs/dbraw/zinc/69/64/99/823696499.db2.gz OJVFAPUAGKPXKZ-GFCCVEGCSA-N 1 2 383.452 4.189 20 0 GIADLO C[C@H](c1nnc(SC[C@H]2CCCC[C@H]2O)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000412988730 823698208 /nfs/dbraw/zinc/69/82/08/823698208.db2.gz YJNBPUCSZLLDBC-CKEIUWERSA-N 1 2 394.972 4.187 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+][C@H]3CCN([C@@H](C)c4ccccc4)C3)n2)c1 ZINC000191564268 823700369 /nfs/dbraw/zinc/70/03/69/823700369.db2.gz NDFYEAIMMDGGAS-ZWOKBUDYSA-N 1 2 392.503 4.231 20 0 GIADLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1nc(=O)c3c(C)c(C)sc3[nH]1)CCC2 ZINC000163325365 823701753 /nfs/dbraw/zinc/70/17/53/823701753.db2.gz DDJZVQCBXKGWDE-CYBMUJFWSA-N 1 2 388.562 4.130 20 0 GIADLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1nc(=O)c3c(C)c(C)sc3[nH]1)CCC2 ZINC000163325365 823701755 /nfs/dbraw/zinc/70/17/55/823701755.db2.gz DDJZVQCBXKGWDE-CYBMUJFWSA-N 1 2 388.562 4.130 20 0 GIADLO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc(C2CCCCC2)no1 ZINC000191579222 823703401 /nfs/dbraw/zinc/70/34/01/823703401.db2.gz KTMARJGFDKSTNP-GDBMZVCRSA-N 1 2 378.517 4.167 20 0 GIADLO CCOCCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000125761594 823705364 /nfs/dbraw/zinc/70/53/64/823705364.db2.gz STLWYVVNHNUSKS-UHFFFAOYSA-N 1 2 380.945 4.035 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccccc3Oc3ccccc3)[nH+]cn2)C1 ZINC000413105560 823707930 /nfs/dbraw/zinc/70/79/30/823707930.db2.gz ZHIPTLZKADIRGX-PKOBYXMFSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccccc3Oc3ccccc3)nc[nH+]2)C1 ZINC000413105560 823707933 /nfs/dbraw/zinc/70/79/33/823707933.db2.gz ZHIPTLZKADIRGX-PKOBYXMFSA-N 1 2 390.487 4.088 20 0 GIADLO Cc1cc(CSc2ccccc2C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)on1 ZINC000125785274 823709770 /nfs/dbraw/zinc/70/97/70/823709770.db2.gz MYRJJLJJAHJSDC-BEFAXECRSA-N 1 2 396.516 4.195 20 0 GIADLO Cc1cc(CSc2ccccc2C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)on1 ZINC000125785042 823709930 /nfs/dbraw/zinc/70/99/30/823709930.db2.gz MYRJJLJJAHJSDC-KXBFYZLASA-N 1 2 396.516 4.195 20 0 GIADLO CCc1c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1cccc(Cl)c1 ZINC000125789474 823711090 /nfs/dbraw/zinc/71/10/90/823711090.db2.gz MTROMYZUAWDCMN-QRWLVFNGSA-N 1 2 397.910 4.008 20 0 GIADLO CCc1noc(C)c1C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000163483323 823714548 /nfs/dbraw/zinc/71/45/48/823714548.db2.gz FBZLHSOURVIZAG-UHFFFAOYSA-N 1 2 383.414 4.413 20 0 GIADLO CCc1noc(C)c1C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000163483323 823714551 /nfs/dbraw/zinc/71/45/51/823714551.db2.gz FBZLHSOURVIZAG-UHFFFAOYSA-N 1 2 383.414 4.413 20 0 GIADLO CCc1c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1ccccc1C ZINC000191638768 823721570 /nfs/dbraw/zinc/72/15/70/823721570.db2.gz QIFSGSADQKVTLX-LAUBAEHRSA-N 1 2 392.507 4.055 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N2CC[C@@H](OCc3ccccn3)C2)c1 ZINC000413195903 823725228 /nfs/dbraw/zinc/72/52/28/823725228.db2.gz NPMYSDNOANPCOV-QGZVFWFLSA-N 1 2 384.277 4.188 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N[C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000413204397 823727227 /nfs/dbraw/zinc/72/72/27/823727227.db2.gz OLWNQSUZYNWJSE-OAHLLOKOSA-N 1 2 393.350 4.276 20 0 GIADLO CC1(C)C[C@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c2ccccc2O1 ZINC000413216059 823729802 /nfs/dbraw/zinc/72/98/02/823729802.db2.gz BMMHBBJXTDXKKG-SFHVURJKSA-N 1 2 391.471 4.246 20 0 GIADLO COc1c(C)c[nH+]c(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1C ZINC000125874371 823734283 /nfs/dbraw/zinc/73/42/83/823734283.db2.gz XYQIUOYGXDMGPD-NRFANRHFSA-N 1 2 375.472 4.177 20 0 GIADLO COc1ccc(-c2cnc(CCC(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)o2)cc1 ZINC000064023708 823734977 /nfs/dbraw/zinc/73/49/77/823734977.db2.gz PWTUQLHAPQFMBM-UHFFFAOYSA-N 1 2 376.416 4.106 20 0 GIADLO COCCCC[N@@H+](Cc1ccccc1)Cn1nc(-c2ccco2)n(C)c1=S ZINC000064028956 823737322 /nfs/dbraw/zinc/73/73/22/823737322.db2.gz ACYBWCPUSXVFCT-UHFFFAOYSA-N 1 2 386.521 4.097 20 0 GIADLO COCCCC[N@H+](Cc1ccccc1)Cn1nc(-c2ccco2)n(C)c1=S ZINC000064028956 823737328 /nfs/dbraw/zinc/73/73/28/823737328.db2.gz ACYBWCPUSXVFCT-UHFFFAOYSA-N 1 2 386.521 4.097 20 0 GIADLO Cc1nc2ccccc2cc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000574472045 823739287 /nfs/dbraw/zinc/73/92/87/823739287.db2.gz PARXPLNVMDLWBK-KRWDZBQOSA-N 1 2 375.472 4.189 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc(F)c4ccccc43)[nH+]cn2)C1 ZINC000413295182 823747071 /nfs/dbraw/zinc/74/70/71/823747071.db2.gz GTAGKXFCYSUWOK-JYJNAYRXSA-N 1 2 380.467 4.149 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc(F)c4ccccc43)nc[nH+]2)C1 ZINC000413295182 823747073 /nfs/dbraw/zinc/74/70/73/823747073.db2.gz GTAGKXFCYSUWOK-JYJNAYRXSA-N 1 2 380.467 4.149 20 0 GIADLO COc1cccc(C[N@H+](C)[C@H](C)c2cnccn2)c1OCc1ccccc1F ZINC000574534202 823757443 /nfs/dbraw/zinc/75/74/43/823757443.db2.gz IKOCRVMXUUNQIO-MRXNPFEDSA-N 1 2 381.451 4.396 20 0 GIADLO COc1cccc(C[N@@H+](C)[C@H](C)c2cnccn2)c1OCc1ccccc1F ZINC000574534202 823757448 /nfs/dbraw/zinc/75/74/48/823757448.db2.gz IKOCRVMXUUNQIO-MRXNPFEDSA-N 1 2 381.451 4.396 20 0 GIADLO COc1cccc(C[N@H+](C)[C@@H](C)c2cnccn2)c1OCc1ccccc1F ZINC000574534201 823757653 /nfs/dbraw/zinc/75/76/53/823757653.db2.gz IKOCRVMXUUNQIO-INIZCTEOSA-N 1 2 381.451 4.396 20 0 GIADLO COc1cccc(C[N@@H+](C)[C@@H](C)c2cnccn2)c1OCc1ccccc1F ZINC000574534201 823757663 /nfs/dbraw/zinc/75/76/63/823757663.db2.gz IKOCRVMXUUNQIO-INIZCTEOSA-N 1 2 381.451 4.396 20 0 GIADLO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000191807864 823776222 /nfs/dbraw/zinc/77/62/22/823776222.db2.gz CZBDJQJIGLZTCH-CQSZACIVSA-N 1 2 385.851 4.192 20 0 GIADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000164108973 823778595 /nfs/dbraw/zinc/77/85/95/823778595.db2.gz HGJLDXPXTBSNMZ-HUUCEWRRSA-N 1 2 394.441 4.441 20 0 GIADLO COC(=O)c1ccc(C[NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)s1 ZINC000126103916 823788784 /nfs/dbraw/zinc/78/87/84/823788784.db2.gz QRWCKRZCGZZFMB-FQEVSTJZSA-N 1 2 391.496 4.301 20 0 GIADLO COc1ccc2c(c1)[C@H]([NH2+]Cc1nccn1CCc1ccccc1)CCCO2 ZINC000164248390 823789822 /nfs/dbraw/zinc/78/98/22/823789822.db2.gz JUMKNWIPBSPBPX-OAQYLSRUSA-N 1 2 377.488 4.138 20 0 GIADLO C[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000462007630 823792923 /nfs/dbraw/zinc/79/29/23/823792923.db2.gz HGDVAVJYRDYIDT-JXFKEZNVSA-N 1 2 377.513 4.262 20 0 GIADLO C[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000462007630 823792928 /nfs/dbraw/zinc/79/29/28/823792928.db2.gz HGDVAVJYRDYIDT-JXFKEZNVSA-N 1 2 377.513 4.262 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC=C(c4ccncc4)C3)n2)C1 ZINC000574659109 823793424 /nfs/dbraw/zinc/79/34/24/823793424.db2.gz HNQVNICXQYQXFH-MRXNPFEDSA-N 1 2 397.548 4.091 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC=C(c4ccncc4)C3)n2)C1 ZINC000574659109 823793426 /nfs/dbraw/zinc/79/34/26/823793426.db2.gz HNQVNICXQYQXFH-MRXNPFEDSA-N 1 2 397.548 4.091 20 0 GIADLO C[C@@H]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H](c2ccco2)C1 ZINC000462012351 823794395 /nfs/dbraw/zinc/79/43/95/823794395.db2.gz WJBJLKBWOZJSNC-XLIONFOSSA-N 1 2 378.476 4.207 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000164412527 823801811 /nfs/dbraw/zinc/80/18/11/823801811.db2.gz FMXQJSUWVZAVON-VBKZILBWSA-N 1 2 390.886 4.252 20 0 GIADLO Cc1cc(C)c(CNC(=O)NCc2cc(Cl)cc(Br)c2)c[nH+]1 ZINC000413597324 823802415 /nfs/dbraw/zinc/80/24/15/823802415.db2.gz ADALIJXETVNKHW-UHFFFAOYSA-N 1 2 382.689 4.114 20 0 GIADLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000574694353 823802655 /nfs/dbraw/zinc/80/26/55/823802655.db2.gz ROSCCBBGISHJQD-HNNXBMFYSA-N 1 2 376.287 4.068 20 0 GIADLO O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1-n1cc[nH+]c1 ZINC000462031257 823803657 /nfs/dbraw/zinc/80/36/57/823803657.db2.gz JQXPTRDLZOCRGO-UHFFFAOYSA-N 1 2 393.834 4.147 20 0 GIADLO CC(=O)Nc1ccc(C)c(NCc2c[nH+]c3c(C)cc(Br)cn23)c1 ZINC000574706276 823804376 /nfs/dbraw/zinc/80/43/76/823804376.db2.gz GQRDOTYQJKEVGW-UHFFFAOYSA-N 1 2 387.281 4.284 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000191892396 823805613 /nfs/dbraw/zinc/80/56/13/823805613.db2.gz NRLBBSSQQJFTOS-UHFFFAOYSA-N 1 2 377.920 4.109 20 0 GIADLO OCC1(c2ccccc2)CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000574710425 823805644 /nfs/dbraw/zinc/80/56/44/823805644.db2.gz NOBCLAURNVTZIZ-UHFFFAOYSA-N 1 2 396.275 4.253 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000191906782 823809450 /nfs/dbraw/zinc/80/94/50/823809450.db2.gz FRQGGXBYVVVPDM-UHFFFAOYSA-N 1 2 384.402 4.130 20 0 GIADLO COc1cccc(C[N@@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]2CCCO2)c1 ZINC000064399898 823812059 /nfs/dbraw/zinc/81/20/59/823812059.db2.gz GYKWZXHKWKJAIZ-FQEVSTJZSA-N 1 2 385.895 4.178 20 0 GIADLO COc1cccc(C[N@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]2CCCO2)c1 ZINC000064399898 823812065 /nfs/dbraw/zinc/81/20/65/823812065.db2.gz GYKWZXHKWKJAIZ-FQEVSTJZSA-N 1 2 385.895 4.178 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccccc1OC(F)(F)F ZINC000064433291 823818140 /nfs/dbraw/zinc/81/81/40/823818140.db2.gz NWCZBIXQYWSUQE-ROJDOSBLSA-N 1 2 381.398 4.026 20 0 GIADLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2Cc2ccc(-n3ccnc3)cc2C)o1 ZINC000191953547 823822580 /nfs/dbraw/zinc/82/25/80/823822580.db2.gz RAOMGWJOZWDCFT-JOCHJYFZSA-N 1 2 385.471 4.172 20 0 GIADLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2Cc2ccc(-n3ccnc3)cc2C)o1 ZINC000191953547 823822589 /nfs/dbraw/zinc/82/25/89/823822589.db2.gz RAOMGWJOZWDCFT-JOCHJYFZSA-N 1 2 385.471 4.172 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000413712079 823823363 /nfs/dbraw/zinc/82/33/63/823823363.db2.gz LFTKIOJXEKIWGL-SCTDSRPQSA-N 1 2 386.927 4.299 20 0 GIADLO Cc1noc(C2CC[NH+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)n1 ZINC000164944628 823826104 /nfs/dbraw/zinc/82/61/04/823826104.db2.gz ZKMJPJHFBBOOEG-UHFFFAOYSA-N 1 2 392.381 4.431 20 0 GIADLO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000064482131 823828491 /nfs/dbraw/zinc/82/84/91/823828491.db2.gz YHHMCTDPSZMHLL-UHFFFAOYSA-N 1 2 381.278 4.481 20 0 GIADLO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000064482131 823828499 /nfs/dbraw/zinc/82/84/99/823828499.db2.gz YHHMCTDPSZMHLL-UHFFFAOYSA-N 1 2 381.278 4.481 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3cc(F)c(F)cc3F)CC2)n1 ZINC000192036325 823839474 /nfs/dbraw/zinc/83/94/74/823839474.db2.gz ZKVQZGDXBJBNAJ-UHFFFAOYSA-N 1 2 384.423 4.117 20 0 GIADLO CCN(C(=O)NCc1c[nH+]cn1C)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000462160051 823849325 /nfs/dbraw/zinc/84/93/25/823849325.db2.gz ACYUJMZQVGULSX-KRWDZBQOSA-N 1 2 392.503 4.388 20 0 GIADLO COc1ccc(-c2csc(NC(=O)C[N@H+](Cc3ccccn3)C(C)C)n2)cc1 ZINC000165443020 823849532 /nfs/dbraw/zinc/84/95/32/823849532.db2.gz VWNJXLCTNNSCMO-UHFFFAOYSA-N 1 2 396.516 4.063 20 0 GIADLO COc1ccc(-c2csc(NC(=O)C[N@@H+](Cc3ccccn3)C(C)C)n2)cc1 ZINC000165443020 823849541 /nfs/dbraw/zinc/84/95/41/823849541.db2.gz VWNJXLCTNNSCMO-UHFFFAOYSA-N 1 2 396.516 4.063 20 0 GIADLO Fc1ccc(-c2nc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)cc3)no2)c(F)c1 ZINC000192069620 823850040 /nfs/dbraw/zinc/85/00/40/823850040.db2.gz OVCILZSDCLJWHA-WMZOPIPTSA-N 1 2 391.805 4.288 20 0 GIADLO COc1ccc([C@H]([NH2+]CC(=O)N[C@@H](C)C(C)C)c2ccccc2Cl)c(C)c1 ZINC000462169821 823851832 /nfs/dbraw/zinc/85/18/32/823851832.db2.gz IKLUZSXXAFNJSA-AOMKIAJQSA-N 1 2 388.939 4.497 20 0 GIADLO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000126388452 823854359 /nfs/dbraw/zinc/85/43/59/823854359.db2.gz VCELNRXOCAJNEC-VQIMIIECSA-N 1 2 394.544 4.276 20 0 GIADLO CC[C@H](C)NC(=O)C[NH2+][C@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000462176833 823855138 /nfs/dbraw/zinc/85/51/38/823855138.db2.gz PGMPHLGBHYCDJS-RNODOKPDSA-N 1 2 378.488 4.280 20 0 GIADLO Cc1ccc(C)c(OC2CC[NH+]([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000064631970 823855322 /nfs/dbraw/zinc/85/53/22/823855322.db2.gz CQAHSZQSOCNHEI-KRWDZBQOSA-N 1 2 377.488 4.144 20 0 GIADLO Cc1cc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cnc1Cl ZINC000126399241 823857201 /nfs/dbraw/zinc/85/72/01/823857201.db2.gz WRTXFAWHVNMBPY-ROUUACIJSA-N 1 2 381.867 4.290 20 0 GIADLO CCc1cc(O)ccc1NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000192091622 823857381 /nfs/dbraw/zinc/85/73/81/823857381.db2.gz QJFHVPWUNOAMIS-HOTGVXAUSA-N 1 2 383.492 4.208 20 0 GIADLO C[C@@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)Cc1cccs1 ZINC000462200916 823867187 /nfs/dbraw/zinc/86/71/87/823867187.db2.gz IDBLJKIRGSKCFR-HZPDHXFCSA-N 1 2 377.579 4.077 20 0 GIADLO C[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000574948760 823869096 /nfs/dbraw/zinc/86/90/96/823869096.db2.gz QEWYLWOZGKUUPT-AUUYWEPGSA-N 1 2 385.427 4.184 20 0 GIADLO CCC(CC)c1cc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)on1 ZINC000462209329 823872521 /nfs/dbraw/zinc/87/25/21/823872521.db2.gz KHEQRWYTLPABAD-HNNXBMFYSA-N 1 2 390.553 4.228 20 0 GIADLO CCOC[C@@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)C1 ZINC000166253011 823873499 /nfs/dbraw/zinc/87/34/99/823873499.db2.gz LLUUXLXLWXRFIB-OAHLLOKOSA-N 1 2 393.940 4.340 20 0 GIADLO CCOC[C@@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)C1 ZINC000166253011 823873505 /nfs/dbraw/zinc/87/35/05/823873505.db2.gz LLUUXLXLWXRFIB-OAHLLOKOSA-N 1 2 393.940 4.340 20 0 GIADLO COC[C@@H]1CCC[N@@H+]1Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 ZINC000166279983 823873945 /nfs/dbraw/zinc/87/39/45/823873945.db2.gz VIPWPIDKKLLSQI-IBGZPJMESA-N 1 2 387.549 4.364 20 0 GIADLO COC[C@@H]1CCC[N@H+]1Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 ZINC000166279983 823873954 /nfs/dbraw/zinc/87/39/54/823873954.db2.gz VIPWPIDKKLLSQI-IBGZPJMESA-N 1 2 387.549 4.364 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cs1)c1cccc(C)c1C ZINC000166733219 823881979 /nfs/dbraw/zinc/88/19/79/823881979.db2.gz ZVNGWTDYNHJOJA-NQIIRXRSSA-N 1 2 399.560 4.445 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cs1)c1cccc(C)c1C ZINC000166733219 823881986 /nfs/dbraw/zinc/88/19/86/823881986.db2.gz ZVNGWTDYNHJOJA-NQIIRXRSSA-N 1 2 399.560 4.445 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000575014338 823888305 /nfs/dbraw/zinc/88/83/05/823888305.db2.gz XFILYKZKTUVDQN-UHFFFAOYSA-N 1 2 391.450 4.044 20 0 GIADLO Fc1cc(Br)ccc1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462235990 823888380 /nfs/dbraw/zinc/88/83/80/823888380.db2.gz PSVZQSKPFWBKPM-UHFFFAOYSA-N 1 2 380.261 4.228 20 0 GIADLO COc1cccc([C@@H]([NH2+]CC(=O)NC2CCCCC2)c2ccccc2Cl)c1 ZINC000462240094 823891072 /nfs/dbraw/zinc/89/10/72/823891072.db2.gz USDYPLXUARROQI-JOCHJYFZSA-N 1 2 386.923 4.477 20 0 GIADLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ncc(-c3cccs3)o2)cc1 ZINC000575030168 823893587 /nfs/dbraw/zinc/89/35/87/823893587.db2.gz BNYDOIWWHLSWPS-ZDUSSCGKSA-N 1 2 376.503 4.048 20 0 GIADLO C[C@@H]1CCN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000126543516 823894839 /nfs/dbraw/zinc/89/48/39/823894839.db2.gz DHNPMLUKOLEFBL-RHSMWYFYSA-N 1 2 390.325 4.033 20 0 GIADLO COc1ccc([C@@H](C)[NH2+][C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c(C)c1 ZINC000414059478 823897965 /nfs/dbraw/zinc/89/79/65/823897965.db2.gz IRCPSSMTVCWSDE-ZHRRBRCNSA-N 1 2 395.503 4.195 20 0 GIADLO O=C(N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000168161325 823900743 /nfs/dbraw/zinc/90/07/43/823900743.db2.gz MMYXHEMGIDXJJG-ROUUACIJSA-N 1 2 385.471 4.205 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(Br)c1F ZINC000192208173 823903032 /nfs/dbraw/zinc/90/30/32/823903032.db2.gz RJYAXCXQHDMGNC-UHFFFAOYSA-N 1 2 378.176 4.165 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]C2(c3ccc(Br)cc3)CCC2)s1 ZINC000414097010 823908495 /nfs/dbraw/zinc/90/84/95/823908495.db2.gz MRPUDQRKMPEROB-LLVKDONJSA-N 1 2 395.322 4.422 20 0 GIADLO COC(=O)c1cnc([C@@H](C)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)s1 ZINC000414106803 823911270 /nfs/dbraw/zinc/91/12/70/823911270.db2.gz JAECXBRWHPIWHK-CYBMUJFWSA-N 1 2 382.489 4.303 20 0 GIADLO CCOc1cccc([C@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000462306149 823919098 /nfs/dbraw/zinc/91/90/98/823919098.db2.gz PLMAXVBGZBXPND-IRXDYDNUSA-N 1 2 387.549 4.296 20 0 GIADLO Cc1ccc([C@@H]([NH2+]Cc2ccc(C)c(C)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414158510 823919955 /nfs/dbraw/zinc/91/99/55/823919955.db2.gz AEKZCQIIGVVLFJ-HSZRJFAPSA-N 1 2 394.540 4.290 20 0 GIADLO Cc1ccc([C@H]([NH2+]Cc2ccc(C)c(C)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414158512 823920218 /nfs/dbraw/zinc/92/02/18/823920218.db2.gz AEKZCQIIGVVLFJ-QHCPKHFHSA-N 1 2 394.540 4.290 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2ccccc2OCc2ccc(F)cc2)c1C ZINC000064998167 823923335 /nfs/dbraw/zinc/92/33/35/823923335.db2.gz LJKWOROGRJAOBS-UHFFFAOYSA-N 1 2 394.446 4.355 20 0 GIADLO C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000575170847 823930819 /nfs/dbraw/zinc/93/08/19/823930819.db2.gz NXCCFUDMQIXRHE-QFIPXVFZSA-N 1 2 393.466 4.095 20 0 GIADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000575193503 823934896 /nfs/dbraw/zinc/93/48/96/823934896.db2.gz IOMXZTWJXDUBGM-IINYFYTJSA-N 1 2 393.331 4.417 20 0 GIADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000575193503 823934907 /nfs/dbraw/zinc/93/49/07/823934907.db2.gz IOMXZTWJXDUBGM-IINYFYTJSA-N 1 2 393.331 4.417 20 0 GIADLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc4cccnc43)c2C1 ZINC000462352304 823936618 /nfs/dbraw/zinc/93/66/18/823936618.db2.gz LKFOXCZAQQNLNK-INIZCTEOSA-N 1 2 395.528 4.396 20 0 GIADLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc4cccnc43)c2C1 ZINC000462352304 823936628 /nfs/dbraw/zinc/93/66/28/823936628.db2.gz LKFOXCZAQQNLNK-INIZCTEOSA-N 1 2 395.528 4.396 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1C ZINC000065164519 823955741 /nfs/dbraw/zinc/95/57/41/823955741.db2.gz NXUXINCDAAVYBN-UHFFFAOYSA-N 1 2 381.451 4.184 20 0 GIADLO Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCC[C@@H]2c2cccn2C)cs1 ZINC000170751818 823960781 /nfs/dbraw/zinc/96/07/81/823960781.db2.gz ARZJMVNZWZJMHH-HXUWFJFHSA-N 1 2 394.544 4.308 20 0 GIADLO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCC[C@@H]2c2cccn2C)cs1 ZINC000170751818 823960788 /nfs/dbraw/zinc/96/07/88/823960788.db2.gz ARZJMVNZWZJMHH-HXUWFJFHSA-N 1 2 394.544 4.308 20 0 GIADLO COc1cc(F)c(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1F ZINC000126834703 823962542 /nfs/dbraw/zinc/96/25/42/823962542.db2.gz BDCUYIRIGXQGFA-ICSRJNTNSA-N 1 2 398.413 4.220 20 0 GIADLO CO[C@H](C)c1noc(C[NH2+][C@@](C)(c2ccc(Br)cc2)C(C)C)n1 ZINC000192373731 823963485 /nfs/dbraw/zinc/96/34/85/823963485.db2.gz ZJLFKBOHCBCIBO-SJKOYZFVSA-N 1 2 382.302 4.201 20 0 GIADLO CCc1ccc(C(=O)CCC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC000575370157 823963956 /nfs/dbraw/zinc/96/39/56/823963956.db2.gz SEBPMZAVUWQVAN-UHFFFAOYSA-N 1 2 395.890 4.367 20 0 GIADLO C[C@H](CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1)n1cc[nH+]c1 ZINC000575410496 823967949 /nfs/dbraw/zinc/96/79/49/823967949.db2.gz VIDOEZKSVACZFK-LSDHHAIUSA-N 1 2 388.899 4.141 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3cnc(-c4ccccn4)s3)n2)CC1 ZINC000170780577 823970119 /nfs/dbraw/zinc/97/01/19/823970119.db2.gz XJNGKCNFGOPDRJ-UHFFFAOYSA-N 1 2 399.545 4.146 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(Cl)nc(Cl)c2)C[C@@H](C)O1 ZINC000126919346 823980956 /nfs/dbraw/zinc/98/09/56/823980956.db2.gz BDYYDAVVIYZPOH-CHWSQXEVSA-N 1 2 394.302 4.250 20 0 GIADLO COCC[N@@H+](Cc1csc(N(C(C)=O)c2ccccc2F)n1)CC(C)C ZINC000126983757 823994439 /nfs/dbraw/zinc/99/44/39/823994439.db2.gz RVUKJGJBTMXCBU-UHFFFAOYSA-N 1 2 379.501 4.071 20 0 GIADLO COCC[N@H+](Cc1csc(N(C(C)=O)c2ccccc2F)n1)CC(C)C ZINC000126983757 823994441 /nfs/dbraw/zinc/99/44/41/823994441.db2.gz RVUKJGJBTMXCBU-UHFFFAOYSA-N 1 2 379.501 4.071 20 0 GIADLO Cc1ccc(C(=O)C2CCN(C(=O)NCc3cc(C)[nH+]c(C)c3)CC2)c(C)c1 ZINC000575790850 823997223 /nfs/dbraw/zinc/99/72/23/823997223.db2.gz KMHYORFZBMIHRR-UHFFFAOYSA-N 1 2 379.504 4.120 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC1(c2ccc(Cl)cc2)CCC1 ZINC000170894729 824002183 /nfs/dbraw/zinc/00/21/83/824002183.db2.gz VARILQKXWZFAST-UHFFFAOYSA-N 1 2 394.906 4.463 20 0 GIADLO O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000170898434 824002780 /nfs/dbraw/zinc/00/27/80/824002780.db2.gz ZNPUYTAPBDNPTO-OAQYLSRUSA-N 1 2 378.451 4.158 20 0 GIADLO CC(C)n1cc(C[NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)nn1 ZINC000575836991 824008252 /nfs/dbraw/zinc/00/82/52/824008252.db2.gz FHVSTZKIKURGHQ-UHFFFAOYSA-N 1 2 382.430 4.169 20 0 GIADLO O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000192493352 824010282 /nfs/dbraw/zinc/01/02/82/824010282.db2.gz ILDBOZKDARIJNV-UHFFFAOYSA-N 1 2 397.482 4.253 20 0 GIADLO COc1cc(C[NH2+]Cc2nnc(C3CC3)s2)ccc1OCc1ccccc1 ZINC000414559587 824012599 /nfs/dbraw/zinc/01/25/99/824012599.db2.gz VDAYUMANFFYJOI-UHFFFAOYSA-N 1 2 381.501 4.293 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000127106935 824018877 /nfs/dbraw/zinc/01/88/77/824018877.db2.gz JLNOPZIXHFXDDO-SJORKVTESA-N 1 2 384.348 4.159 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000127106935 824018880 /nfs/dbraw/zinc/01/88/80/824018880.db2.gz JLNOPZIXHFXDDO-SJORKVTESA-N 1 2 384.348 4.159 20 0 GIADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000170959765 824019530 /nfs/dbraw/zinc/01/95/30/824019530.db2.gz NFPIMTKYSNVQKC-UHFFFAOYSA-N 1 2 377.510 4.234 20 0 GIADLO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000414684475 824023804 /nfs/dbraw/zinc/02/38/04/824023804.db2.gz QVPIIKQTORDDEM-UHFFFAOYSA-N 1 2 397.302 4.281 20 0 GIADLO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000414684475 824023811 /nfs/dbraw/zinc/02/38/11/824023811.db2.gz QVPIIKQTORDDEM-UHFFFAOYSA-N 1 2 397.302 4.281 20 0 GIADLO C[C@@H](CC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C)n1cc[nH+]c1 ZINC000575926024 824030508 /nfs/dbraw/zinc/03/05/08/824030508.db2.gz IYYBJBGQUMUNLZ-YVEFUNNKSA-N 1 2 376.298 4.037 20 0 GIADLO Cc1ccc(CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C(C)C)s1 ZINC000171011334 824036696 /nfs/dbraw/zinc/03/66/96/824036696.db2.gz NZVXKWSWQJHOHB-UHFFFAOYSA-N 1 2 382.533 4.422 20 0 GIADLO COc1ccccc1CC1CC[NH+]([C@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000171040372 824044896 /nfs/dbraw/zinc/04/48/96/824044896.db2.gz WXRAJYXLEVCTNJ-OAHLLOKOSA-N 1 2 388.458 4.255 20 0 GIADLO CC(C)[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc(F)cc1F ZINC000359896966 209199309 /nfs/dbraw/zinc/19/93/09/209199309.db2.gz JHSBVNVKPSDHEN-HKUYNNGSSA-N 1 2 383.435 4.309 20 0 GIADLO Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000097129105 211358018 /nfs/dbraw/zinc/35/80/18/211358018.db2.gz KUVHIIOIRYNBKP-UHFFFAOYSA-N 1 2 377.492 4.170 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000570488234 823045182 /nfs/dbraw/zinc/04/51/82/823045182.db2.gz RTYCHRGVCHLOPA-IBGZPJMESA-N 1 2 387.405 4.284 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2ccnc(N3CCCC3)c2)no1)c1ccc(Cl)cc1 ZINC000570526929 823050084 /nfs/dbraw/zinc/05/00/84/823050084.db2.gz FMSIBYQTLFXIFK-SFHVURJKSA-N 1 2 383.883 4.036 20 0 GIADLO CCCCc1ccc(C(=O)CCC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120731621 823054231 /nfs/dbraw/zinc/05/42/31/823054231.db2.gz GUTBFMVTYVKRNI-FQEVSTJZSA-N 1 2 395.547 4.207 20 0 GIADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000570554815 823053663 /nfs/dbraw/zinc/05/36/63/823053663.db2.gz BFDLCEOWLHRKRX-ABAIWWIYSA-N 1 2 378.263 4.248 20 0 GIADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000570554815 823053667 /nfs/dbraw/zinc/05/36/67/823053667.db2.gz BFDLCEOWLHRKRX-ABAIWWIYSA-N 1 2 378.263 4.248 20 0 GIADLO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000570554851 823053788 /nfs/dbraw/zinc/05/37/88/823053788.db2.gz CVCAJBDWWWOREM-INIZCTEOSA-N 1 2 395.890 4.110 20 0 GIADLO CC(C)n1ccnc1C[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000175869953 823060077 /nfs/dbraw/zinc/06/00/77/823060077.db2.gz VVPDRAUJMDEKRZ-UHFFFAOYSA-N 1 2 376.545 4.076 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cs1)c1ccc(C)cc1C ZINC000120781932 823062957 /nfs/dbraw/zinc/06/29/57/823062957.db2.gz QQNUSLIROZQVKA-SJLPKXTDSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cs1)c1ccc(C)cc1C ZINC000120781932 823062960 /nfs/dbraw/zinc/06/29/60/823062960.db2.gz QQNUSLIROZQVKA-SJLPKXTDSA-N 1 2 387.549 4.037 20 0 GIADLO C[N@H+](Cc1nc2ccccc2s1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000055899719 823063750 /nfs/dbraw/zinc/06/37/50/823063750.db2.gz MPGJSRIRGKPNRE-UHFFFAOYSA-N 1 2 391.496 4.451 20 0 GIADLO C[N@@H+](Cc1nc2ccccc2s1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000055899719 823063757 /nfs/dbraw/zinc/06/37/57/823063757.db2.gz MPGJSRIRGKPNRE-UHFFFAOYSA-N 1 2 391.496 4.451 20 0 GIADLO Cc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccc(F)cc4F)CC3)o2)cc1 ZINC000120793304 823065294 /nfs/dbraw/zinc/06/52/94/823065294.db2.gz KFGHLQROYYLAOT-UHFFFAOYSA-N 1 2 385.414 4.367 20 0 GIADLO O=C(CCSc1ccccn1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000570660925 823068384 /nfs/dbraw/zinc/06/83/84/823068384.db2.gz LDOMQOQMZKDNEW-UHFFFAOYSA-N 1 2 378.501 4.402 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCc2cc(Br)ccc21 ZINC000055942834 823069377 /nfs/dbraw/zinc/06/93/77/823069377.db2.gz NPZSIIPQLBKBRH-UHFFFAOYSA-N 1 2 396.288 4.287 20 0 GIADLO CCOCc1cccc(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000175928415 823075126 /nfs/dbraw/zinc/07/51/26/823075126.db2.gz RCMMNTCWRRZPSO-UHFFFAOYSA-N 1 2 396.535 4.389 20 0 GIADLO CCOc1cc(-c2ccccc2)sc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120847531 823075820 /nfs/dbraw/zinc/07/58/20/823075820.db2.gz IQVIZPHANKQUDD-UHFFFAOYSA-N 1 2 381.501 4.488 20 0 GIADLO COc1ccc(Cl)cc1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000570732035 823077500 /nfs/dbraw/zinc/07/75/00/823077500.db2.gz RHIBGALKMKMAPN-UHFFFAOYSA-N 1 2 376.243 4.118 20 0 GIADLO CC(C)OCc1c2ccccc2oc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120866173 823079327 /nfs/dbraw/zinc/07/93/27/823079327.db2.gz UXOAXIOLNLOKHS-QGZVFWFLSA-N 1 2 395.503 4.186 20 0 GIADLO O=C(Nc1ccc(OC2CCCCC2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000570779885 823086520 /nfs/dbraw/zinc/08/65/20/823086520.db2.gz UHAGQRGYBWIBKN-OAQYLSRUSA-N 1 2 381.476 4.478 20 0 GIADLO Cc1cnc([C@@H](C)Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)cn1 ZINC000570790219 823087813 /nfs/dbraw/zinc/08/78/13/823087813.db2.gz JUDQSLUYIXQMRY-QGZVFWFLSA-N 1 2 394.548 4.205 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000175986996 823089379 /nfs/dbraw/zinc/08/93/79/823089379.db2.gz MIVXUZIBOJFSID-SFTDATJTSA-N 1 2 396.510 4.025 20 0 GIADLO CC(=O)Nc1cccc(C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1 ZINC000056153747 823090332 /nfs/dbraw/zinc/09/03/32/823090332.db2.gz RNCBXLGYCCAIKV-HSZRJFAPSA-N 1 2 387.483 4.423 20 0 GIADLO CCOc1cccc(C[NH2+]Cc2nc3cc(C)ccc3n2C)c1OC(F)F ZINC000187576137 823091122 /nfs/dbraw/zinc/09/11/22/823091122.db2.gz HTKYFKXSQDSGCK-UHFFFAOYSA-N 1 2 375.419 4.172 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(Oc2ccccc2)o1 ZINC000175996252 823091538 /nfs/dbraw/zinc/09/15/38/823091538.db2.gz BZXYUBRWTAUEIG-UHFFFAOYSA-N 1 2 387.439 4.289 20 0 GIADLO C[C@@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176003006 823092962 /nfs/dbraw/zinc/09/29/62/823092962.db2.gz JXLSCJBEZBGRQC-GOSISDBHSA-N 1 2 392.547 4.050 20 0 GIADLO C[C@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)[C@@H]1c1ccccc1 ZINC000176006526 823094075 /nfs/dbraw/zinc/09/40/75/823094075.db2.gz KARKMDHASWNEOH-MBSDFSHPSA-N 1 2 392.547 4.124 20 0 GIADLO C[C@H](CC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)n1cc[nH+]c1 ZINC000570850345 823095301 /nfs/dbraw/zinc/09/53/01/823095301.db2.gz WXETUMCDLSUOQE-MLGOLLRUSA-N 1 2 380.261 4.100 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccc(C)nc1)c1ccccc1 ZINC000056171937 823095498 /nfs/dbraw/zinc/09/54/98/823095498.db2.gz ISCUKCLKXVIPPY-JOCHJYFZSA-N 1 2 375.472 4.177 20 0 GIADLO CCC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000176036829 823102677 /nfs/dbraw/zinc/10/26/77/823102677.db2.gz WYBNAEYKDPVXDG-HXUWFJFHSA-N 1 2 383.467 4.167 20 0 GIADLO CCC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000176036829 823102678 /nfs/dbraw/zinc/10/26/78/823102678.db2.gz WYBNAEYKDPVXDG-HXUWFJFHSA-N 1 2 383.467 4.167 20 0 GIADLO Cc1cnc(C(C)(C)NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)s1 ZINC000458893482 823103062 /nfs/dbraw/zinc/10/30/62/823103062.db2.gz XMAOQJOOORDAGR-UHFFFAOYSA-N 1 2 389.912 4.025 20 0 GIADLO COc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c(OC)c1 ZINC000056202444 823102216 /nfs/dbraw/zinc/10/22/16/823102216.db2.gz RPLXJEFHFQXZFA-QHCPKHFHSA-N 1 2 390.483 4.482 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C/C=C/c2ccc(F)cc2)C[C@H](C)O1 ZINC000176044799 823105196 /nfs/dbraw/zinc/10/51/96/823105196.db2.gz XFYKXAGHRUWMRV-FBLDJFESSA-N 1 2 382.479 4.477 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C/C=C/c2ccc(F)cc2)C[C@H](C)O1 ZINC000176044799 823105199 /nfs/dbraw/zinc/10/51/99/823105199.db2.gz XFYKXAGHRUWMRV-FBLDJFESSA-N 1 2 382.479 4.477 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+](C)[C@H]2CCSC2)cs1 ZINC000121065796 823112039 /nfs/dbraw/zinc/11/20/39/823112039.db2.gz OCVLTKRMURGZEI-KRWDZBQOSA-N 1 2 375.563 4.327 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+](C)[C@H]2CCSC2)cs1 ZINC000121065796 823112042 /nfs/dbraw/zinc/11/20/42/823112042.db2.gz OCVLTKRMURGZEI-KRWDZBQOSA-N 1 2 375.563 4.327 20 0 GIADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)C1(C(F)F)CCCC1 ZINC000570963773 823112667 /nfs/dbraw/zinc/11/26/67/823112667.db2.gz RARKMUAQGCYTID-UHFFFAOYSA-N 1 2 387.434 4.087 20 0 GIADLO Cc1coc(-c2ccc(C)c(NC(=O)NCc3ccccc3-n3cc[nH+]c3)c2)n1 ZINC000121104156 823119311 /nfs/dbraw/zinc/11/93/11/823119311.db2.gz DVRIHGCBNXMYLP-UHFFFAOYSA-N 1 2 387.443 4.466 20 0 GIADLO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000459011076 823116425 /nfs/dbraw/zinc/11/64/25/823116425.db2.gz MYOIJRSYHYSZLZ-RHSMWYFYSA-N 1 2 376.863 4.243 20 0 GIADLO C[NH+](C)[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045965 823124491 /nfs/dbraw/zinc/12/44/91/823124491.db2.gz QTIPYAKEIKVFDV-PKTZIBPZSA-N 1 2 381.539 4.215 20 0 GIADLO C[NH+](C)[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045965 823124494 /nfs/dbraw/zinc/12/44/94/823124494.db2.gz QTIPYAKEIKVFDV-PKTZIBPZSA-N 1 2 381.539 4.215 20 0 GIADLO COc1cccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121139960 823125427 /nfs/dbraw/zinc/12/54/27/823125427.db2.gz KNIOCLDNEADGJH-INIZCTEOSA-N 1 2 389.565 4.235 20 0 GIADLO COc1cccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121139960 823125430 /nfs/dbraw/zinc/12/54/30/823125430.db2.gz KNIOCLDNEADGJH-INIZCTEOSA-N 1 2 389.565 4.235 20 0 GIADLO CO[C@H](C)c1nc(C)c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)s1 ZINC000176125928 823129234 /nfs/dbraw/zinc/12/92/34/823129234.db2.gz ULNYCKBMBASZDH-CYBMUJFWSA-N 1 2 394.566 4.100 20 0 GIADLO Cc1sc(CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)nc1-c1ccccc1 ZINC000571110492 823133468 /nfs/dbraw/zinc/13/34/68/823133468.db2.gz ZKSWUUOIMJSKPW-SFHVURJKSA-N 1 2 381.530 4.220 20 0 GIADLO Cc1cc(Cl)ccc1Cc1noc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000571125291 823136465 /nfs/dbraw/zinc/13/64/65/823136465.db2.gz VQMSAGQJDJQZJR-UHFFFAOYSA-N 1 2 383.879 4.121 20 0 GIADLO Cn1c[nH+]c(CCNC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)c1 ZINC000459163061 823136655 /nfs/dbraw/zinc/13/66/55/823136655.db2.gz AVTGOAYUNFVATJ-UHFFFAOYSA-N 1 2 394.441 4.136 20 0 GIADLO Cc1coc(-c2ccc(C)c(NC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2)n1 ZINC000121210033 823139167 /nfs/dbraw/zinc/13/91/67/823139167.db2.gz YPBXUBHBTRMHST-DNVCBOLYSA-N 1 2 379.464 4.270 20 0 GIADLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000056385461 823141110 /nfs/dbraw/zinc/14/11/10/823141110.db2.gz KSTNBOMXPIKOOJ-MRXNPFEDSA-N 1 2 378.476 4.297 20 0 GIADLO Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]Cc1nc(-c2ccccn2)n[nH]1 ZINC000571157043 823142356 /nfs/dbraw/zinc/14/23/56/823142356.db2.gz XRKYPEZCTNMHAG-ZDUSSCGKSA-N 1 2 390.274 4.177 20 0 GIADLO CC[C@@]1(C)Oc2ccc(NC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)cc2O1 ZINC000571159867 823142589 /nfs/dbraw/zinc/14/25/89/823142589.db2.gz BISUVTJFLVSOCP-JTSKRJEESA-N 1 2 377.444 4.468 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000121256370 823148928 /nfs/dbraw/zinc/14/89/28/823148928.db2.gz VNROMMHSKJGGDB-UHFFFAOYSA-N 1 2 380.460 4.084 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000121256370 823148931 /nfs/dbraw/zinc/14/89/31/823148931.db2.gz VNROMMHSKJGGDB-UHFFFAOYSA-N 1 2 380.460 4.084 20 0 GIADLO Cc1ccc(-c2cc(C(=O)NCCc3c[nH+]cn3C)c3ccccc3n2)c(C)c1 ZINC000121286129 823155401 /nfs/dbraw/zinc/15/54/01/823155401.db2.gz CQYPUGMYHJOEFP-UHFFFAOYSA-N 1 2 384.483 4.225 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000571249831 823155593 /nfs/dbraw/zinc/15/55/93/823155593.db2.gz IWCYOFYNXHWUQY-SANMLTNESA-N 1 2 399.538 4.371 20 0 GIADLO C[C@@H](CCCc1cccnc1)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000459291683 823157025 /nfs/dbraw/zinc/15/70/25/823157025.db2.gz CZJZZCKKEMBCSB-INIZCTEOSA-N 1 2 387.553 4.057 20 0 GIADLO COCc1cc(O)ccc1NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000571288575 823160642 /nfs/dbraw/zinc/16/06/42/823160642.db2.gz TUAOROKPAGDNPB-UHFFFAOYSA-N 1 2 392.459 4.382 20 0 GIADLO CC(C)(C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1)c1cccc(Br)c1 ZINC000571318358 823164472 /nfs/dbraw/zinc/16/44/72/823164472.db2.gz HCIQNESWSBCRBM-QGZVFWFLSA-N 1 2 385.309 4.224 20 0 GIADLO COCc1cc(C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@@H]2C)no1 ZINC000459397909 823183227 /nfs/dbraw/zinc/18/32/27/823183227.db2.gz HYDGVRDKAUZJPW-QFYYESIMSA-N 1 2 383.311 4.156 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1 ZINC000459390998 823181170 /nfs/dbraw/zinc/18/11/70/823181170.db2.gz UHBTYKJGXWUOPH-CTNGQTDRSA-N 1 2 391.471 4.197 20 0 GIADLO C[N@H+](Cc1cnc(-c2cccs2)s1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000188084030 823183939 /nfs/dbraw/zinc/18/39/39/823183939.db2.gz CUODLTOUKCOHFA-KRWDZBQOSA-N 1 2 383.542 4.105 20 0 GIADLO C[N@@H+](Cc1cnc(-c2cccs2)s1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000188084030 823183940 /nfs/dbraw/zinc/18/39/40/823183940.db2.gz CUODLTOUKCOHFA-KRWDZBQOSA-N 1 2 383.542 4.105 20 0 GIADLO C[C@@H](CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1)n1cc[nH+]c1 ZINC000571450747 823184617 /nfs/dbraw/zinc/18/46/17/823184617.db2.gz UUBQHNYVZWQWAT-FUHWJXTLSA-N 1 2 379.464 4.028 20 0 GIADLO COc1cc(F)c(C[NH2+]Cc2cc(F)c(F)cc2Br)cc1OC ZINC000571453509 823184969 /nfs/dbraw/zinc/18/49/69/823184969.db2.gz VXORACVKWQZQSC-UHFFFAOYSA-N 1 2 390.199 4.173 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCc2ccc(F)cc2)C[C@H](C)O1 ZINC000056661880 823191902 /nfs/dbraw/zinc/19/19/02/823191902.db2.gz WXOZGQZKIIFZTH-ROUUACIJSA-N 1 2 399.510 4.141 20 0 GIADLO Cc1noc(C[C@H]([NH2+]Cc2ncc(-c3ccc(F)cc3)o2)c2ccccc2)n1 ZINC000571499735 823192696 /nfs/dbraw/zinc/19/26/96/823192696.db2.gz OEDAONLDDIMFQB-SFHVURJKSA-N 1 2 378.407 4.246 20 0 GIADLO O[C@@H](C[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1)c1cccs1 ZINC000176392639 823197324 /nfs/dbraw/zinc/19/73/24/823197324.db2.gz WUDKTFLDJLVXDU-INIZCTEOSA-N 1 2 381.457 4.127 20 0 GIADLO O[C@@H](C[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1)c1cccs1 ZINC000176392639 823197327 /nfs/dbraw/zinc/19/73/27/823197327.db2.gz WUDKTFLDJLVXDU-INIZCTEOSA-N 1 2 381.457 4.127 20 0 GIADLO COc1ccc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c(C)c1OC ZINC000571541115 823197883 /nfs/dbraw/zinc/19/78/83/823197883.db2.gz BMSQSEHBQHBYIS-UXLLHSPISA-N 1 2 385.508 4.194 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459464980 823197968 /nfs/dbraw/zinc/19/79/68/823197968.db2.gz NKCHCGLDYKCISM-CTNGQTDRSA-N 1 2 394.519 4.027 20 0 GIADLO CC[N@H+](CC(=O)N(C)[C@@H](C)c1sc(C)nc1C)Cc1ccccc1Cl ZINC000571542805 823198220 /nfs/dbraw/zinc/19/82/20/823198220.db2.gz XBCYNXGRUAJJCM-AWEZNQCLSA-N 1 2 379.957 4.455 20 0 GIADLO CC[N@@H+](CC(=O)N(C)[C@@H](C)c1sc(C)nc1C)Cc1ccccc1Cl ZINC000571542805 823198224 /nfs/dbraw/zinc/19/82/24/823198224.db2.gz XBCYNXGRUAJJCM-AWEZNQCLSA-N 1 2 379.957 4.455 20 0 GIADLO CC(C)(C)c1noc(CCC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)n1 ZINC000571552792 823199430 /nfs/dbraw/zinc/19/94/30/823199430.db2.gz FMRUCDAHTGEJTI-UHFFFAOYSA-N 1 2 393.491 4.138 20 0 GIADLO Cc1nc(CC2CC2)oc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000571552849 823199848 /nfs/dbraw/zinc/19/98/48/823199848.db2.gz IEZHDKMFFYQTGJ-UHFFFAOYSA-N 1 2 376.460 4.388 20 0 GIADLO Fc1ccc(-n2cc(C[NH2+]C3(c4ccc(Cl)cc4)CC3)nn2)cc1Cl ZINC000571593525 823204979 /nfs/dbraw/zinc/20/49/79/823204979.db2.gz AYYBORPZEWKCJY-UHFFFAOYSA-N 1 2 377.250 4.492 20 0 GIADLO O=C(Nc1cccc(-c2nccs2)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000056778322 823212233 /nfs/dbraw/zinc/21/22/33/823212233.db2.gz DHSWAVXORAMDPF-UHFFFAOYSA-N 1 2 384.530 4.221 20 0 GIADLO CC(C)(CC(=O)NC1CCN(c2cccc[nH+]2)CC1)Cc1ccc(Cl)cc1 ZINC000188245847 823208919 /nfs/dbraw/zinc/20/89/19/823208919.db2.gz UBLRWUQYMINHJM-UHFFFAOYSA-N 1 2 385.939 4.479 20 0 GIADLO Clc1cnn(CC[N@@H+]2CCc3nc(-c4ccccc4Cl)sc3C2)c1 ZINC000459522476 823210584 /nfs/dbraw/zinc/21/05/84/823210584.db2.gz HYJMPOIXXCVSGT-UHFFFAOYSA-N 1 2 379.316 4.372 20 0 GIADLO Clc1cnn(CC[N@H+]2CCc3nc(-c4ccccc4Cl)sc3C2)c1 ZINC000459522476 823210590 /nfs/dbraw/zinc/21/05/90/823210590.db2.gz HYJMPOIXXCVSGT-UHFFFAOYSA-N 1 2 379.316 4.372 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc(Cl)c1O ZINC000459550395 823218302 /nfs/dbraw/zinc/21/83/02/823218302.db2.gz XYKPKNLFMPZCKE-HNNXBMFYSA-N 1 2 390.911 4.096 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc(Cl)c1O ZINC000459550395 823218305 /nfs/dbraw/zinc/21/83/05/823218305.db2.gz XYKPKNLFMPZCKE-HNNXBMFYSA-N 1 2 390.911 4.096 20 0 GIADLO COc1cccc([C@H]2C[C@H](C)CN2C(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000571695423 823220106 /nfs/dbraw/zinc/22/01/06/823220106.db2.gz DQRDSIUBUIOQAG-FDDCHVKYSA-N 1 2 389.499 4.092 20 0 GIADLO Cn1c[nH+]cc1CNC(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000571697138 823220429 /nfs/dbraw/zinc/22/04/29/823220429.db2.gz QKGWECGNGVCPDW-SFHVURJKSA-N 1 2 389.883 4.362 20 0 GIADLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](c4cccc(Br)c4)C3)ccn12 ZINC000571700340 823221258 /nfs/dbraw/zinc/22/12/58/823221258.db2.gz HWIKIGFEYZOANH-MRXNPFEDSA-N 1 2 384.277 4.035 20 0 GIADLO c1cn(Cc2ccc(NCc3cn(C4CCCC4)nc3-c3ccccn3)nc2)c[nH+]1 ZINC000459551574 823218634 /nfs/dbraw/zinc/21/86/34/823218634.db2.gz SGSKDPFYOSNREO-UHFFFAOYSA-N 1 2 399.502 4.312 20 0 GIADLO Brc1cccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@H]3CCCO3)o2)c1 ZINC000571721064 823224656 /nfs/dbraw/zinc/22/46/56/823224656.db2.gz CRNZBSZMRFRQLU-PKOBYXMFSA-N 1 2 392.293 4.089 20 0 GIADLO Brc1cccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@H]3CCCO3)o2)c1 ZINC000571721064 823224664 /nfs/dbraw/zinc/22/46/64/823224664.db2.gz CRNZBSZMRFRQLU-PKOBYXMFSA-N 1 2 392.293 4.089 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cc(F)ccc1OC(F)F ZINC000121665065 823225762 /nfs/dbraw/zinc/22/57/62/823225762.db2.gz POYAHDGZSMNZGK-UHFFFAOYSA-N 1 2 394.397 4.134 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000459591563 823226424 /nfs/dbraw/zinc/22/64/24/823226424.db2.gz LRUBKVUJGWFUOR-IBGZPJMESA-N 1 2 382.895 4.303 20 0 GIADLO CNC(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000459591563 823226429 /nfs/dbraw/zinc/22/64/29/823226429.db2.gz LRUBKVUJGWFUOR-IBGZPJMESA-N 1 2 382.895 4.303 20 0 GIADLO Cc1cccn2cc(C[S@](=O)[C@H](C)c3nc(-c4ccc(F)c(C)c4)no3)[nH+]c12 ZINC000176531709 823230517 /nfs/dbraw/zinc/23/05/17/823230517.db2.gz HVGZNSPASILLQX-SUMNFNSASA-N 1 2 398.463 4.150 20 0 GIADLO CC[C@H](C)c1ccc(NC(=O)C[S@](=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000176533097 823231005 /nfs/dbraw/zinc/23/10/05/823231005.db2.gz FZJATSDJJAYXLT-KUNJGFBQSA-N 1 2 383.517 4.044 20 0 GIADLO C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)c(Cl)c1 ZINC000056942820 823233242 /nfs/dbraw/zinc/23/32/42/823233242.db2.gz CRDUVURBEWOMGN-CQSZACIVSA-N 1 2 386.858 4.284 20 0 GIADLO CC(C)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000409497886 823234812 /nfs/dbraw/zinc/23/48/12/823234812.db2.gz CKYVNFNQZIVEPH-IBGZPJMESA-N 1 2 380.467 4.250 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3CC(=O)c3cccs3)n2)cc1 ZINC000121716273 823236541 /nfs/dbraw/zinc/23/65/41/823236541.db2.gz UALNINKLYYRMHE-HNNXBMFYSA-N 1 2 383.473 4.044 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@H]3CC(=O)c3cccs3)n2)cc1 ZINC000121716273 823236546 /nfs/dbraw/zinc/23/65/46/823236546.db2.gz UALNINKLYYRMHE-HNNXBMFYSA-N 1 2 383.473 4.044 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3F)CC2)c1C ZINC000571814478 823238782 /nfs/dbraw/zinc/23/87/82/823238782.db2.gz VFLFXUMMFCLYPK-INIZCTEOSA-N 1 2 384.495 4.499 20 0 GIADLO Cc1ccc(C)c(-n2cnc3cc(C(=O)N4CCC[C@H](c5[nH]cc[nH+]5)C4)ccc32)c1 ZINC000409519589 823239836 /nfs/dbraw/zinc/23/98/36/823239836.db2.gz HTUOWCGGHYFBKW-IBGZPJMESA-N 1 2 399.498 4.385 20 0 GIADLO CCOC(=O)C1CC[NH+]([C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 ZINC000057024359 823240258 /nfs/dbraw/zinc/24/02/58/823240258.db2.gz YICQSLNERZEXHU-QFIPXVFZSA-N 1 2 394.515 4.258 20 0 GIADLO CC(C)c1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)no1 ZINC000121751793 823243377 /nfs/dbraw/zinc/24/33/77/823243377.db2.gz GGTKKZMHMLGWHY-UHFFFAOYSA-N 1 2 396.318 4.499 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(OC)c(Cl)c(OC)c1 ZINC000459667023 823245746 /nfs/dbraw/zinc/24/57/46/823245746.db2.gz OAKZRLHGXYFQQX-UHFFFAOYSA-N 1 2 394.903 4.060 20 0 GIADLO O=C(N[C@H](CC(F)(F)F)c1ccccc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000057130082 823252607 /nfs/dbraw/zinc/25/26/07/823252607.db2.gz KWPIIGFOYNXRSD-QGZVFWFLSA-N 1 2 392.425 4.043 20 0 GIADLO COc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)ccc1OCc1cccs1 ZINC000459693498 823251753 /nfs/dbraw/zinc/25/17/53/823251753.db2.gz FYFFJDUBEOGSDZ-UHFFFAOYSA-N 1 2 386.521 4.041 20 0 GIADLO CCOc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)ccc1OCc1ccccc1 ZINC000459706828 823254300 /nfs/dbraw/zinc/25/43/00/823254300.db2.gz NUMLIHLGUDQFIQ-UHFFFAOYSA-N 1 2 394.519 4.370 20 0 GIADLO CCc1nc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)sc1C(C)(C)C ZINC000459707528 823254569 /nfs/dbraw/zinc/25/45/69/823254569.db2.gz QUKQCPNRONPNNP-CQSZACIVSA-N 1 2 389.569 4.223 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000409585678 823254979 /nfs/dbraw/zinc/25/49/79/823254979.db2.gz QGSZYEJLHHUPDJ-UHFFFAOYSA-N 1 2 378.329 4.352 20 0 GIADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000057170981 823258701 /nfs/dbraw/zinc/25/87/01/823258701.db2.gz IZSZGWPMYNBNMC-UHFFFAOYSA-N 1 2 397.360 4.329 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000409601824 823258891 /nfs/dbraw/zinc/25/88/91/823258891.db2.gz XVEYFQMQJCKDCQ-UHFFFAOYSA-N 1 2 378.329 4.352 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000188595055 823269015 /nfs/dbraw/zinc/26/90/15/823269015.db2.gz ANCOPNXYQDHUIW-HOTGVXAUSA-N 1 2 385.508 4.043 20 0 GIADLO O=c1c2ccccc2nc(SCCn2cc[nH+]c2)n1CCCc1ccccc1 ZINC000121864250 823265833 /nfs/dbraw/zinc/26/58/33/823265833.db2.gz QJHJGVSDGPDLTJ-UHFFFAOYSA-N 1 2 390.512 4.018 20 0 GIADLO CCCCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@@H](CC)[NH+](C)C ZINC000003552711 817484016 /nfs/dbraw/zinc/48/40/16/817484016.db2.gz LRODKTFZFROTQB-QGZVFWFLSA-N 1 2 389.569 4.130 20 0 GIADLO CC(C)c1ncc(C[N@H+](C)Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cn1 ZINC000572079664 823279404 /nfs/dbraw/zinc/27/94/04/823279404.db2.gz KWGKHAAYZVLDRO-UHFFFAOYSA-N 1 2 389.425 4.437 20 0 GIADLO CC(C)c1ncc(C[N@@H+](C)Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cn1 ZINC000572079664 823279407 /nfs/dbraw/zinc/27/94/07/823279407.db2.gz KWGKHAAYZVLDRO-UHFFFAOYSA-N 1 2 389.425 4.437 20 0 GIADLO CCc1ccc2c(C[N@H+](C)CC(=O)Nc3c(C)cccc3C)cc(=O)oc2c1 ZINC000006653524 817715668 /nfs/dbraw/zinc/71/56/68/817715668.db2.gz PAAWXXCYNOIISR-UHFFFAOYSA-N 1 2 378.472 4.043 20 0 GIADLO CCc1ccc2c(C[N@@H+](C)CC(=O)Nc3c(C)cccc3C)cc(=O)oc2c1 ZINC000006653524 817715673 /nfs/dbraw/zinc/71/56/73/817715673.db2.gz PAAWXXCYNOIISR-UHFFFAOYSA-N 1 2 378.472 4.043 20 0 GIADLO Cc1cc(N)nc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[nH+]1 ZINC000007049035 817746810 /nfs/dbraw/zinc/74/68/10/817746810.db2.gz KTWOWZVSBFLXQB-VHSXEESVSA-N 1 2 385.320 4.032 20 0 GIADLO COc1cc(-c2nn(C[NH+]3CCCCCCC3)c(=S)o2)cc(OC)c1OC ZINC000007074911 817753569 /nfs/dbraw/zinc/75/35/69/817753569.db2.gz SVGYHMUZOYJRSW-UHFFFAOYSA-N 1 2 393.509 4.122 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)Cc2cccc(F)c2)o1 ZINC000007360354 817823363 /nfs/dbraw/zinc/82/33/63/817823363.db2.gz BBAYLYVSAHJCEN-UHFFFAOYSA-N 1 2 378.407 4.471 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)Cc2cccc(F)c2)o1 ZINC000007360354 817823371 /nfs/dbraw/zinc/82/33/71/817823371.db2.gz BBAYLYVSAHJCEN-UHFFFAOYSA-N 1 2 378.407 4.471 20 0 GIADLO CCCCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1[C@@H](CC)[NH+](C)C ZINC000122025014 823295179 /nfs/dbraw/zinc/29/51/79/823295179.db2.gz NSFIAEMVLHEQQW-ZIAGYGMSSA-N 1 2 380.562 4.451 20 0 GIADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000122080903 823303142 /nfs/dbraw/zinc/30/31/42/823303142.db2.gz BKWBKNNIEDSIKP-ZBFHGGJFSA-N 1 2 396.491 4.308 20 0 GIADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000122080903 823303146 /nfs/dbraw/zinc/30/31/46/823303146.db2.gz BKWBKNNIEDSIKP-ZBFHGGJFSA-N 1 2 396.491 4.308 20 0 GIADLO C[C@H](NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C)c1ccc(Br)cc1 ZINC000007878817 817947778 /nfs/dbraw/zinc/94/77/78/817947778.db2.gz DEOBWWCCOXGPQQ-STQMWFEESA-N 1 2 393.350 4.307 20 0 GIADLO C[C@H](NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C)c1ccc(Br)cc1 ZINC000007878817 817947783 /nfs/dbraw/zinc/94/77/83/817947783.db2.gz DEOBWWCCOXGPQQ-STQMWFEESA-N 1 2 393.350 4.307 20 0 GIADLO Clc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000057457194 823299303 /nfs/dbraw/zinc/29/93/03/823299303.db2.gz RUQFZNNTNQNVOU-KRWDZBQOSA-N 1 2 397.862 4.498 20 0 GIADLO Clc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000057457194 823299304 /nfs/dbraw/zinc/29/93/04/823299304.db2.gz RUQFZNNTNQNVOU-KRWDZBQOSA-N 1 2 397.862 4.498 20 0 GIADLO C[C@@H]([N@H+](C)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S)C1(C)CC1 ZINC000176830466 823304332 /nfs/dbraw/zinc/30/43/32/823304332.db2.gz PSAAUVIDSKOUOY-GFCCVEGCSA-N 1 2 385.459 4.116 20 0 GIADLO C[C@@H]([N@@H+](C)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S)C1(C)CC1 ZINC000176830466 823304335 /nfs/dbraw/zinc/30/43/35/823304335.db2.gz PSAAUVIDSKOUOY-GFCCVEGCSA-N 1 2 385.459 4.116 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3cccc4ccccc43)CC2)nc(C(C)C)[nH+]1 ZINC000011005665 818042764 /nfs/dbraw/zinc/04/27/64/818042764.db2.gz PSDWIWXRTLKXBU-UHFFFAOYSA-N 1 2 389.503 4.416 20 0 GIADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057570153 823310518 /nfs/dbraw/zinc/31/05/18/823310518.db2.gz NSNIKCVSGSSZSY-ROUUACIJSA-N 1 2 383.511 4.488 20 0 GIADLO CN(C)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000011763550 818117955 /nfs/dbraw/zinc/11/79/55/818117955.db2.gz WGRBZLLPSDWGCG-UHFFFAOYSA-N 1 2 392.528 4.020 20 0 GIADLO CN(C)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000011763550 818117960 /nfs/dbraw/zinc/11/79/60/818117960.db2.gz WGRBZLLPSDWGCG-UHFFFAOYSA-N 1 2 392.528 4.020 20 0 GIADLO COc1ccc([C@H](CNc2[nH+]cnc3c2cnn3C)c2c[nH]c3ccccc32)cc1 ZINC000012485458 818164596 /nfs/dbraw/zinc/16/45/96/818164596.db2.gz DIJCFCVIMPLFER-SFHVURJKSA-N 1 2 398.470 4.097 20 0 GIADLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1C ZINC000012816305 818183903 /nfs/dbraw/zinc/18/39/03/818183903.db2.gz NEBBPRGTUKGNOQ-UHFFFAOYSA-N 1 2 396.409 4.142 20 0 GIADLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1C ZINC000012816305 818183907 /nfs/dbraw/zinc/18/39/07/818183907.db2.gz NEBBPRGTUKGNOQ-UHFFFAOYSA-N 1 2 396.409 4.142 20 0 GIADLO COc1ccc(Br)cc1C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000012814764 818184093 /nfs/dbraw/zinc/18/40/93/818184093.db2.gz ZQGJGBFAHXGFGF-UHFFFAOYSA-N 1 2 386.293 4.275 20 0 GIADLO COc1ccc(Br)cc1C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000012814764 818184102 /nfs/dbraw/zinc/18/41/02/818184102.db2.gz ZQGJGBFAHXGFGF-UHFFFAOYSA-N 1 2 386.293 4.275 20 0 GIADLO O=C(CCc1cc(Br)cs1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000409826147 823318219 /nfs/dbraw/zinc/31/82/19/823318219.db2.gz VWLUJJKYSDBNHZ-UHFFFAOYSA-N 1 2 376.279 4.268 20 0 GIADLO COc1cc(O)c(C[N@@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1OC ZINC000188861485 823318614 /nfs/dbraw/zinc/31/86/14/823318614.db2.gz KQAJYHKAXAQDKQ-RBZFPXEDSA-N 1 2 377.868 4.025 20 0 GIADLO COc1cc(O)c(C[N@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1OC ZINC000188861485 823318619 /nfs/dbraw/zinc/31/86/19/823318619.db2.gz KQAJYHKAXAQDKQ-RBZFPXEDSA-N 1 2 377.868 4.025 20 0 GIADLO COc1cc(O)c(C[N@@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc1OC ZINC000188861460 823318658 /nfs/dbraw/zinc/31/86/58/823318658.db2.gz KQAJYHKAXAQDKQ-XCLFUZPHSA-N 1 2 377.868 4.025 20 0 GIADLO COc1cc(O)c(C[N@H+]2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc1OC ZINC000188861460 823318666 /nfs/dbraw/zinc/31/86/66/823318666.db2.gz KQAJYHKAXAQDKQ-XCLFUZPHSA-N 1 2 377.868 4.025 20 0 GIADLO Cc1cc(C)c(C)c(OCCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000409831731 823319507 /nfs/dbraw/zinc/31/95/07/823319507.db2.gz WOOBSLKQUZELHA-UHFFFAOYSA-N 1 2 381.520 4.082 20 0 GIADLO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000176896618 823319701 /nfs/dbraw/zinc/31/97/01/823319701.db2.gz GBFOVGKUJNQWMC-UONOGXRCSA-N 1 2 388.924 4.018 20 0 GIADLO Cc1sc2nc([C@H](C)[N@H+](C)CCOc3ccccc3Cl)[nH]c(=O)c2c1C ZINC000014078912 818221061 /nfs/dbraw/zinc/22/10/61/818221061.db2.gz YRFCPMISQANPCC-LBPRGKRZSA-N 1 2 391.924 4.327 20 0 GIADLO Cc1sc2nc([C@H](C)[N@@H+](C)CCOc3ccccc3Cl)[nH]c(=O)c2c1C ZINC000014078912 818221070 /nfs/dbraw/zinc/22/10/70/818221070.db2.gz YRFCPMISQANPCC-LBPRGKRZSA-N 1 2 391.924 4.327 20 0 GIADLO COc1ccccc1-c1nn(C[N@@H+]2CCC[C@H]2c2ccccc2)c(=S)n1C ZINC000014308303 818233256 /nfs/dbraw/zinc/23/32/56/818233256.db2.gz YEYRLPVUFQQELJ-SFHVURJKSA-N 1 2 380.517 4.421 20 0 GIADLO COc1ccccc1-c1nn(C[N@H+]2CCC[C@H]2c2ccccc2)c(=S)n1C ZINC000014308303 818233265 /nfs/dbraw/zinc/23/32/65/818233265.db2.gz YEYRLPVUFQQELJ-SFHVURJKSA-N 1 2 380.517 4.421 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 ZINC000014327255 818235149 /nfs/dbraw/zinc/23/51/49/818235149.db2.gz QJXKNCCLXUOUQU-MRXNPFEDSA-N 1 2 398.478 4.065 20 0 GIADLO O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000409852023 823326409 /nfs/dbraw/zinc/32/64/09/823326409.db2.gz BRDXCRZWSVYNGF-UHFFFAOYSA-N 1 2 389.377 4.162 20 0 GIADLO COc1cc(C[N@H+](CC(=O)Nc2ccc(C)cc2)C2CC2)ccc1OC(F)F ZINC000015036185 818285473 /nfs/dbraw/zinc/28/54/73/818285473.db2.gz RANVCTQFFGIIAJ-UHFFFAOYSA-N 1 2 390.430 4.208 20 0 GIADLO COc1cc(C[N@@H+](CC(=O)Nc2ccc(C)cc2)C2CC2)ccc1OC(F)F ZINC000015036185 818285478 /nfs/dbraw/zinc/28/54/78/818285478.db2.gz RANVCTQFFGIIAJ-UHFFFAOYSA-N 1 2 390.430 4.208 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000015041832 818286002 /nfs/dbraw/zinc/28/60/02/818286002.db2.gz UAJYQLDZSXPTLU-AWEZNQCLSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000015041832 818286008 /nfs/dbraw/zinc/28/60/08/818286008.db2.gz UAJYQLDZSXPTLU-AWEZNQCLSA-N 1 2 376.884 4.125 20 0 GIADLO Cc1cc(N2CCN(C(=S)Nc3ccccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000015152920 818295543 /nfs/dbraw/zinc/29/55/43/818295543.db2.gz WAEFJMPNIGJAEO-UHFFFAOYSA-N 1 2 389.956 4.081 20 0 GIADLO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000015294154 818307860 /nfs/dbraw/zinc/30/78/60/818307860.db2.gz LRGLAMTWDWFGBC-UWJYYQICSA-N 1 2 396.531 4.108 20 0 GIADLO CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000015294154 818307868 /nfs/dbraw/zinc/30/78/68/818307868.db2.gz LRGLAMTWDWFGBC-UWJYYQICSA-N 1 2 396.531 4.108 20 0 GIADLO CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1OC)c1ccccc1 ZINC000015298394 818308683 /nfs/dbraw/zinc/30/86/83/818308683.db2.gz QMZIQQBPEUAZBM-DYESRHJHSA-N 1 2 384.520 4.182 20 0 GIADLO CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC)c1ccccc1 ZINC000015298394 818308692 /nfs/dbraw/zinc/30/86/92/818308692.db2.gz QMZIQQBPEUAZBM-DYESRHJHSA-N 1 2 384.520 4.182 20 0 GIADLO CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccc(Br)s2)cc1 ZINC000015371837 818319134 /nfs/dbraw/zinc/31/91/34/818319134.db2.gz CPAPAHRUFIWNQA-CYBMUJFWSA-N 1 2 395.366 4.382 20 0 GIADLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccc(Br)s2)cc1 ZINC000015371837 818319140 /nfs/dbraw/zinc/31/91/40/818319140.db2.gz CPAPAHRUFIWNQA-CYBMUJFWSA-N 1 2 395.366 4.382 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCCc2ccccc21 ZINC000015452143 818326880 /nfs/dbraw/zinc/32/68/80/818326880.db2.gz ZKIDLXOYFOTMCC-IBGZPJMESA-N 1 2 377.513 4.413 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCCc2ccccc21 ZINC000015452143 818326888 /nfs/dbraw/zinc/32/68/88/818326888.db2.gz ZKIDLXOYFOTMCC-IBGZPJMESA-N 1 2 377.513 4.413 20 0 GIADLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000015548418 818337161 /nfs/dbraw/zinc/33/71/61/818337161.db2.gz ABDGCYBURSDGOC-IBGZPJMESA-N 1 2 383.879 4.312 20 0 GIADLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000015548418 818337168 /nfs/dbraw/zinc/33/71/68/818337168.db2.gz ABDGCYBURSDGOC-IBGZPJMESA-N 1 2 383.879 4.312 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3F)no2)cc1OC ZINC000188938925 823330916 /nfs/dbraw/zinc/33/09/16/823330916.db2.gz MYZSZNXIQCJEQB-QGZVFWFLSA-N 1 2 383.423 4.230 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3F)no2)cc1OC ZINC000188938925 823330922 /nfs/dbraw/zinc/33/09/22/823330922.db2.gz MYZSZNXIQCJEQB-QGZVFWFLSA-N 1 2 383.423 4.230 20 0 GIADLO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3csc(-c4ccccn4)n3)C2=O)c(C)c1 ZINC000188944917 823331618 /nfs/dbraw/zinc/33/16/18/823331618.db2.gz CJBGCCFMBZIUNH-IBGZPJMESA-N 1 2 392.528 4.025 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000016103411 818393377 /nfs/dbraw/zinc/39/33/77/818393377.db2.gz CCMOMTOBWVWREP-UHFFFAOYSA-N 1 2 393.318 4.178 20 0 GIADLO CSc1cccc(F)c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000409880452 823334586 /nfs/dbraw/zinc/33/45/86/823334586.db2.gz QUOXMOPKXABMAA-YJBOKZPZSA-N 1 2 380.435 4.001 20 0 GIADLO CSc1cccc(F)c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000409880452 823334594 /nfs/dbraw/zinc/33/45/94/823334594.db2.gz QUOXMOPKXABMAA-YJBOKZPZSA-N 1 2 380.435 4.001 20 0 GIADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000016373662 818429785 /nfs/dbraw/zinc/42/97/85/818429785.db2.gz JLTUBNPQHPLAQO-CYBMUJFWSA-N 1 2 381.303 4.311 20 0 GIADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000016373662 818429787 /nfs/dbraw/zinc/42/97/87/818429787.db2.gz JLTUBNPQHPLAQO-CYBMUJFWSA-N 1 2 381.303 4.311 20 0 GIADLO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000016377807 818431739 /nfs/dbraw/zinc/43/17/39/818431739.db2.gz AHPXTDRWJNDVAE-AWEZNQCLSA-N 1 2 391.309 4.225 20 0 GIADLO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000016377807 818431745 /nfs/dbraw/zinc/43/17/45/818431745.db2.gz AHPXTDRWJNDVAE-AWEZNQCLSA-N 1 2 391.309 4.225 20 0 GIADLO CCN1C[C@H](C[N@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)Oc2ccccc21 ZINC000016423485 818441317 /nfs/dbraw/zinc/44/13/17/818441317.db2.gz LNXNBDNQXXIQPS-KRWDZBQOSA-N 1 2 398.894 4.109 20 0 GIADLO CCN1C[C@H](C[N@@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)Oc2ccccc21 ZINC000016423485 818441325 /nfs/dbraw/zinc/44/13/25/818441325.db2.gz LNXNBDNQXXIQPS-KRWDZBQOSA-N 1 2 398.894 4.109 20 0 GIADLO COCCCC[N@H+](Cc1noc(-c2ccc(F)cc2F)n1)Cc1ccccc1 ZINC000188977005 823337081 /nfs/dbraw/zinc/33/70/81/823337081.db2.gz IVPRICWFBAUZDV-UHFFFAOYSA-N 1 2 387.430 4.444 20 0 GIADLO COCCCC[N@@H+](Cc1noc(-c2ccc(F)cc2F)n1)Cc1ccccc1 ZINC000188977005 823337087 /nfs/dbraw/zinc/33/70/87/823337087.db2.gz IVPRICWFBAUZDV-UHFFFAOYSA-N 1 2 387.430 4.444 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000016590911 818456843 /nfs/dbraw/zinc/45/68/43/818456843.db2.gz ZCFMNALYKWZEGO-INIZCTEOSA-N 1 2 378.472 4.316 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000016590911 818456847 /nfs/dbraw/zinc/45/68/47/818456847.db2.gz ZCFMNALYKWZEGO-INIZCTEOSA-N 1 2 378.472 4.316 20 0 GIADLO CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176988656 823343620 /nfs/dbraw/zinc/34/36/20/823343620.db2.gz KMOPUYDIDYAPJZ-MJGOQNOKSA-N 1 2 388.537 4.148 20 0 GIADLO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000122374784 823345863 /nfs/dbraw/zinc/34/58/63/823345863.db2.gz BLKZHLQPUZQQSH-ZDUSSCGKSA-N 1 2 393.322 4.193 20 0 GIADLO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000122374784 823345871 /nfs/dbraw/zinc/34/58/71/823345871.db2.gz BLKZHLQPUZQQSH-ZDUSSCGKSA-N 1 2 393.322 4.193 20 0 GIADLO CCOC(=O)c1[nH]c(C[N@@H+]2CCC[C@@H]2c2cccs2)c(C(=O)OCC)c1C ZINC000057903086 823346463 /nfs/dbraw/zinc/34/64/63/823346463.db2.gz OGZPJHHPXDXMMP-OAHLLOKOSA-N 1 2 390.505 4.075 20 0 GIADLO CCOC(=O)c1[nH]c(C[N@H+]2CCC[C@@H]2c2cccs2)c(C(=O)OCC)c1C ZINC000057903086 823346467 /nfs/dbraw/zinc/34/64/67/823346467.db2.gz OGZPJHHPXDXMMP-OAHLLOKOSA-N 1 2 390.505 4.075 20 0 GIADLO CC(C)C[N@H+](CC(=O)N(C)c1nccs1)Cc1ccccc1Br ZINC000122429696 823352809 /nfs/dbraw/zinc/35/28/09/823352809.db2.gz ZTGUQMHXJLDPFZ-UHFFFAOYSA-N 1 2 396.354 4.027 20 0 GIADLO CC(C)C[N@@H+](CC(=O)N(C)c1nccs1)Cc1ccccc1Br ZINC000122429696 823352815 /nfs/dbraw/zinc/35/28/15/823352815.db2.gz ZTGUQMHXJLDPFZ-UHFFFAOYSA-N 1 2 396.354 4.027 20 0 GIADLO Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000460323580 823353577 /nfs/dbraw/zinc/35/35/77/823353577.db2.gz HQBOBGPZVUNAST-UHFFFAOYSA-N 1 2 382.420 4.070 20 0 GIADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(Cl)cc1 ZINC000020944746 818642429 /nfs/dbraw/zinc/64/24/29/818642429.db2.gz OUQGMQSNLOSWGH-SFHVURJKSA-N 1 2 389.879 4.020 20 0 GIADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000020944746 818642433 /nfs/dbraw/zinc/64/24/33/818642433.db2.gz OUQGMQSNLOSWGH-SFHVURJKSA-N 1 2 389.879 4.020 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000122415559 823351088 /nfs/dbraw/zinc/35/10/88/823351088.db2.gz UKLORHMTSUREDX-KRWDZBQOSA-N 1 2 395.890 4.457 20 0 GIADLO COc1ccc(NC(=O)[C@H]([NH2+][C@H](C)c2cn[nH]c2)c2ccccc2)cc1Cl ZINC000460342764 823359061 /nfs/dbraw/zinc/35/90/61/823359061.db2.gz JIMQJZGFCPJEJP-BFUOFWGJSA-N 1 2 384.867 4.102 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)c1C ZINC000189128094 823361376 /nfs/dbraw/zinc/36/13/76/823361376.db2.gz OJBOGKPRVMXCGB-UHFFFAOYSA-N 1 2 392.421 4.416 20 0 GIADLO COc1cccc2c(NCc3ccc(C(=O)N4CCCCC4)cc3)cc[nH+]c12 ZINC000189117943 823360176 /nfs/dbraw/zinc/36/01/76/823360176.db2.gz FSYHJBBIFGTTRC-UHFFFAOYSA-N 1 2 375.472 4.482 20 0 GIADLO O=C(c1ccccc1Oc1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000021929655 818756113 /nfs/dbraw/zinc/75/61/13/818756113.db2.gz BRYOIJGTUWMJML-UHFFFAOYSA-N 1 2 378.497 4.498 20 0 GIADLO Cc1cc(N)nc(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)[nH+]1 ZINC000022090098 818771141 /nfs/dbraw/zinc/77/11/41/818771141.db2.gz BXLYGAORIHUZDV-QGZVFWFLSA-N 1 2 392.528 4.077 20 0 GIADLO O=C(CSCc1ccc(F)cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022238258 818784909 /nfs/dbraw/zinc/78/49/09/818784909.db2.gz HDARUCANFWIAQX-UHFFFAOYSA-N 1 2 379.526 4.140 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cs1)c1ccccc1 ZINC000189158791 823367313 /nfs/dbraw/zinc/36/73/13/823367313.db2.gz UCTZNXFZXPBUHY-FQEVSTJZSA-N 1 2 385.533 4.219 20 0 GIADLO C[C@H]([NH2+]Cc1noc(-c2ccc(F)cc2F)n1)c1ccccc1-n1cccn1 ZINC000189162670 823368066 /nfs/dbraw/zinc/36/80/66/823368066.db2.gz HQIRRWDPYVJUBG-ZDUSSCGKSA-N 1 2 381.386 4.051 20 0 GIADLO CCc1ccccc1NC(=O)CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000022787158 818860639 /nfs/dbraw/zinc/86/06/39/818860639.db2.gz YMHYRKPFHXYPQK-KRWDZBQOSA-N 1 2 385.939 4.220 20 0 GIADLO Cn1c(COc2ccc(Cl)cc2)nn(C[N@H+](C)CC2CCCC2)c1=S ZINC000058207600 823369119 /nfs/dbraw/zinc/36/91/19/823369119.db2.gz QASITZIVRBSOBB-UHFFFAOYSA-N 1 2 380.945 4.263 20 0 GIADLO Cn1c(COc2ccc(Cl)cc2)nn(C[N@@H+](C)CC2CCCC2)c1=S ZINC000058207600 823369126 /nfs/dbraw/zinc/36/91/26/823369126.db2.gz QASITZIVRBSOBB-UHFFFAOYSA-N 1 2 380.945 4.263 20 0 GIADLO C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C[C@H](C)O1 ZINC000572620618 823370353 /nfs/dbraw/zinc/37/03/53/823370353.db2.gz PRSGOZOLLGJCLM-DBQOQBPJSA-N 1 2 396.535 4.005 20 0 GIADLO Cc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000058273488 823373637 /nfs/dbraw/zinc/37/36/37/823373637.db2.gz VBLGTYJFKGBOKI-UHFFFAOYSA-N 1 2 392.478 4.027 20 0 GIADLO FC(F)OC[C@@H]1CC[N@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000572647062 823374746 /nfs/dbraw/zinc/37/47/46/823374746.db2.gz YDMMBPGRLKXGPC-SNVBAGLBSA-N 1 2 399.073 4.273 20 0 GIADLO FC(F)OC[C@@H]1CC[N@@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000572647062 823374751 /nfs/dbraw/zinc/37/47/51/823374751.db2.gz YDMMBPGRLKXGPC-SNVBAGLBSA-N 1 2 399.073 4.273 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023667690 818971869 /nfs/dbraw/zinc/97/18/69/818971869.db2.gz KXDIPCIPWKBSPA-HNNXBMFYSA-N 1 2 398.457 4.399 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023667690 818971877 /nfs/dbraw/zinc/97/18/77/818971877.db2.gz KXDIPCIPWKBSPA-HNNXBMFYSA-N 1 2 398.457 4.399 20 0 GIADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+](C)CCOc1ccccc1 ZINC000023815083 818985104 /nfs/dbraw/zinc/98/51/04/818985104.db2.gz YQJPYFSCRWNWRC-CABCVRRESA-N 1 2 397.544 4.181 20 0 GIADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+](C)CCOc1ccccc1 ZINC000023815083 818985108 /nfs/dbraw/zinc/98/51/08/818985108.db2.gz YQJPYFSCRWNWRC-CABCVRRESA-N 1 2 397.544 4.181 20 0 GIADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+](C)CCOc1ccccc1 ZINC000023815075 818985180 /nfs/dbraw/zinc/98/51/80/818985180.db2.gz YQJPYFSCRWNWRC-HUUCEWRRSA-N 1 2 397.544 4.181 20 0 GIADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+](C)CCOc1ccccc1 ZINC000023815075 818985185 /nfs/dbraw/zinc/98/51/85/818985185.db2.gz YQJPYFSCRWNWRC-HUUCEWRRSA-N 1 2 397.544 4.181 20 0 GIADLO COc1cccc(C[N@H+](C)[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)c1 ZINC000023814675 818985265 /nfs/dbraw/zinc/98/52/65/818985265.db2.gz GFAGFLPBQHEEAB-UONOGXRCSA-N 1 2 397.544 4.311 20 0 GIADLO COc1cccc(C[N@@H+](C)[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)c1 ZINC000023814675 818985271 /nfs/dbraw/zinc/98/52/71/818985271.db2.gz GFAGFLPBQHEEAB-UONOGXRCSA-N 1 2 397.544 4.311 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)CCCSc3ccc(Cl)cc3)sc2C1 ZINC000023802515 818985330 /nfs/dbraw/zinc/98/53/30/818985330.db2.gz QBYQSNNFZBXVSZ-UHFFFAOYSA-N 1 2 381.954 4.295 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)CCCSc3ccc(Cl)cc3)sc2C1 ZINC000023802515 818985334 /nfs/dbraw/zinc/98/53/34/818985334.db2.gz QBYQSNNFZBXVSZ-UHFFFAOYSA-N 1 2 381.954 4.295 20 0 GIADLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000191290570 823668103 /nfs/dbraw/zinc/66/81/03/823668103.db2.gz PASYPMNRGJUNEI-NSHDSACASA-N 1 2 393.778 4.148 20 0 GIADLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000191290570 823668104 /nfs/dbraw/zinc/66/81/04/823668104.db2.gz PASYPMNRGJUNEI-NSHDSACASA-N 1 2 393.778 4.148 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000572682941 823382136 /nfs/dbraw/zinc/38/21/36/823382136.db2.gz WWORNWRZHTUDQB-FCHUYYIVSA-N 1 2 386.499 4.190 20 0 GIADLO O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCC([NH+]2CCCC2)CC1 ZINC000177149555 823383257 /nfs/dbraw/zinc/38/32/57/823383257.db2.gz CBDLSKXLUNZWPW-UHFFFAOYSA-N 1 2 384.907 4.413 20 0 GIADLO Cc1cc(C[NH+]2CCN(Cn3c(-c4ccccc4)csc3=S)CC2)on1 ZINC000177131060 823378932 /nfs/dbraw/zinc/37/89/32/823378932.db2.gz YJAWHNFVPDRLPK-UHFFFAOYSA-N 1 2 386.546 4.018 20 0 GIADLO Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000058383560 823384650 /nfs/dbraw/zinc/38/46/50/823384650.db2.gz OKYINXNQUMCLIW-UHFFFAOYSA-N 1 2 395.484 4.193 20 0 GIADLO CCN(C(=O)C[N@H+](CCC(F)(F)F)CC1CC1)c1nc2ccccc2s1 ZINC000177166550 823388899 /nfs/dbraw/zinc/38/88/99/823388899.db2.gz ZWTMWOUCPYKVKA-UHFFFAOYSA-N 1 2 385.455 4.314 20 0 GIADLO CCN(C(=O)C[N@@H+](CCC(F)(F)F)CC1CC1)c1nc2ccccc2s1 ZINC000177166550 823388904 /nfs/dbraw/zinc/38/89/04/823388904.db2.gz ZWTMWOUCPYKVKA-UHFFFAOYSA-N 1 2 385.455 4.314 20 0 GIADLO CCOC(=O)C1CC[NH+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000177152630 823384978 /nfs/dbraw/zinc/38/49/78/823384978.db2.gz KTFNHANXPWHEHL-HXUWFJFHSA-N 1 2 391.471 4.101 20 0 GIADLO O[C@H](C[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1)c1ccco1 ZINC000177155594 823385672 /nfs/dbraw/zinc/38/56/72/823385672.db2.gz MEDPAZAJEGTRHW-JOCHJYFZSA-N 1 2 387.483 4.260 20 0 GIADLO O[C@H](C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1)c1ccco1 ZINC000177155594 823385673 /nfs/dbraw/zinc/38/56/73/823385673.db2.gz MEDPAZAJEGTRHW-JOCHJYFZSA-N 1 2 387.483 4.260 20 0 GIADLO O[C@H](C[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1)c1ccco1 ZINC000177159320 823386868 /nfs/dbraw/zinc/38/68/68/823386868.db2.gz FOHGEFSXFKMCER-LJQANCHMSA-N 1 2 393.418 4.205 20 0 GIADLO O[C@H](C[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1)c1ccco1 ZINC000177159320 823386869 /nfs/dbraw/zinc/38/68/69/823386869.db2.gz FOHGEFSXFKMCER-LJQANCHMSA-N 1 2 393.418 4.205 20 0 GIADLO Cn1c2ccccc2c(Cl)c1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000058414806 823387603 /nfs/dbraw/zinc/38/76/03/823387603.db2.gz WIXGFJNYNAQYPL-UHFFFAOYSA-N 1 2 382.895 4.147 20 0 GIADLO O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000572717562 823388054 /nfs/dbraw/zinc/38/80/54/823388054.db2.gz HCPNYVSSSMWJIG-VQTJNVASSA-N 1 2 375.476 4.032 20 0 GIADLO C[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)CC1(c2ccccc2)CC1 ZINC000189298679 823389725 /nfs/dbraw/zinc/38/97/25/823389725.db2.gz CMIWSDVBDWQWLR-UHFFFAOYSA-N 1 2 391.496 4.408 20 0 GIADLO C[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)CC1(c2ccccc2)CC1 ZINC000189298679 823389729 /nfs/dbraw/zinc/38/97/29/823389729.db2.gz CMIWSDVBDWQWLR-UHFFFAOYSA-N 1 2 391.496 4.408 20 0 GIADLO COc1ccccc1C1(C[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CCCC1 ZINC000572741038 823391218 /nfs/dbraw/zinc/39/12/18/823391218.db2.gz JCTAJSSLHUKUOJ-FQEVSTJZSA-N 1 2 380.467 4.143 20 0 GIADLO CCc1oc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)cc1C(=O)OC ZINC000572764234 823394552 /nfs/dbraw/zinc/39/45/52/823394552.db2.gz MZXJXGAXLGKUTR-UHFFFAOYSA-N 1 2 377.309 4.215 20 0 GIADLO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CCCCC[C@@H]3c3ccco3)cs2)c1C ZINC000177204709 823398789 /nfs/dbraw/zinc/39/87/89/823398789.db2.gz MMQJJKAVDQQJKS-QGZVFWFLSA-N 1 2 398.532 4.231 20 0 GIADLO Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CCCCC[C@@H]3c3ccco3)cs2)c1C ZINC000177204709 823398796 /nfs/dbraw/zinc/39/87/96/823398796.db2.gz MMQJJKAVDQQJKS-QGZVFWFLSA-N 1 2 398.532 4.231 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000460460656 823397188 /nfs/dbraw/zinc/39/71/88/823397188.db2.gz NLPSJQOIDQPGDC-UHFFFAOYSA-N 1 2 391.368 4.275 20 0 GIADLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 ZINC000058499354 823400747 /nfs/dbraw/zinc/40/07/47/823400747.db2.gz ZVZLHASGOJSBIQ-UHFFFAOYSA-N 1 2 377.400 4.011 20 0 GIADLO O=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000058504117 823401326 /nfs/dbraw/zinc/40/13/26/823401326.db2.gz AZUMXERFYJLBJN-UHFFFAOYSA-N 1 2 394.302 4.222 20 0 GIADLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)NCc3cccs3)CC2)cc1 ZINC000058580658 823412256 /nfs/dbraw/zinc/41/22/56/823412256.db2.gz DIWRGFCFACVVFY-UHFFFAOYSA-N 1 2 398.572 4.158 20 0 GIADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000122793929 823413425 /nfs/dbraw/zinc/41/34/25/823413425.db2.gz ZHAIZSOWGFRHTO-KRWDZBQOSA-N 1 2 395.890 4.457 20 0 GIADLO C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000058562895 823410087 /nfs/dbraw/zinc/41/00/87/823410087.db2.gz VKTQMFZCLKIJOB-QFBILLFUSA-N 1 2 398.469 4.059 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(F)c4cccnc34)n2)c1 ZINC000572921429 823420127 /nfs/dbraw/zinc/42/01/27/823420127.db2.gz KHGXVZZINHJQSC-CYBMUJFWSA-N 1 2 378.407 4.283 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc4c(C)c(C)[nH]c43)CC2)cc1 ZINC000024681499 819864693 /nfs/dbraw/zinc/86/46/93/819864693.db2.gz SLVHTVOYZNCBFA-UHFFFAOYSA-N 1 2 391.515 4.141 20 0 GIADLO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000024687777 819865281 /nfs/dbraw/zinc/86/52/81/819865281.db2.gz WOZUSJHCICNLRE-NSHDSACASA-N 1 2 398.454 4.350 20 0 GIADLO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000024687777 819865293 /nfs/dbraw/zinc/86/52/93/819865293.db2.gz WOZUSJHCICNLRE-NSHDSACASA-N 1 2 398.454 4.350 20 0 GIADLO O=C(CCc1ccc(Cl)cc1Cl)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024752514 819873140 /nfs/dbraw/zinc/87/31/40/819873140.db2.gz YOYCOFILPSHYLU-UHFFFAOYSA-N 1 2 388.298 4.487 20 0 GIADLO CCSCc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410253071 823435124 /nfs/dbraw/zinc/43/51/24/823435124.db2.gz BNGKRVDSLNFVPB-IBGZPJMESA-N 1 2 383.561 4.492 20 0 GIADLO O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410255859 823436004 /nfs/dbraw/zinc/43/60/04/823436004.db2.gz LCDFIIQYIZLQAV-PMPSAXMXSA-N 1 2 383.458 4.294 20 0 GIADLO C[C@H](CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Cc1cccc(F)c1 ZINC000410265666 823440366 /nfs/dbraw/zinc/44/03/66/823440366.db2.gz OAMGHPVIZWKFIU-PKOBYXMFSA-N 1 2 383.511 4.333 20 0 GIADLO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410256672 823436565 /nfs/dbraw/zinc/43/65/65/823436565.db2.gz NXUKKRYTUKPREU-HNNXBMFYSA-N 1 2 392.330 4.475 20 0 GIADLO O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410260891 823438226 /nfs/dbraw/zinc/43/82/26/823438226.db2.gz WJCLMPKISBJIMB-GHTZIAJQSA-N 1 2 377.532 4.121 20 0 GIADLO O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410260369 823438236 /nfs/dbraw/zinc/43/82/36/823438236.db2.gz UQFUPJARYWDTGJ-AWEZNQCLSA-N 1 2 392.330 4.475 20 0 GIADLO COCCc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000189530312 823438344 /nfs/dbraw/zinc/43/83/44/823438344.db2.gz JOBLEQLPDXYGJK-FCHUYYIVSA-N 1 2 390.487 4.122 20 0 GIADLO COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000122952979 823438847 /nfs/dbraw/zinc/43/88/47/823438847.db2.gz GVCQPIJFMJDHFG-UHFFFAOYSA-N 1 2 394.431 4.396 20 0 GIADLO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc2ccccc2c1)c1ccsc1 ZINC000025331568 819964842 /nfs/dbraw/zinc/96/48/42/819964842.db2.gz KVDQJXNRSHKTJQ-HXUWFJFHSA-N 1 2 380.513 4.283 20 0 GIADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)Nc1cccc(C(F)(F)F)c1 ZINC000025415809 819977048 /nfs/dbraw/zinc/97/70/48/819977048.db2.gz OYNKMHCDTXVQMB-FQEVSTJZSA-N 1 2 385.389 4.418 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000025416749 819978039 /nfs/dbraw/zinc/97/80/39/819978039.db2.gz XYJNWKZPRZTLEI-OAQYLSRUSA-N 1 2 381.863 4.061 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Br)C[C@H]1n1cc[nH+]c1 ZINC000123001494 823446415 /nfs/dbraw/zinc/44/64/15/823446415.db2.gz SLNRBSCADPCFHD-IAQYHMDHSA-N 1 2 382.689 4.022 20 0 GIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C(C)(F)F)nc2)c(C)c1 ZINC000573071026 823443536 /nfs/dbraw/zinc/44/35/36/823443536.db2.gz AVLWLDXELFROOV-SFHVURJKSA-N 1 2 384.430 4.178 20 0 GIADLO O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410276670 823445127 /nfs/dbraw/zinc/44/51/27/823445127.db2.gz RTFUUCULNKZDFX-NRFANRHFSA-N 1 2 377.532 4.047 20 0 GIADLO CC(C)(C)Oc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410277120 823445483 /nfs/dbraw/zinc/44/54/83/823445483.db2.gz VPVQAFFQLZHZQB-SFHVURJKSA-N 1 2 381.520 4.417 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1C ZINC000025937387 820042392 /nfs/dbraw/zinc/04/23/92/820042392.db2.gz IUISYHDMKUNVFZ-QGZVFWFLSA-N 1 2 396.531 4.456 20 0 GIADLO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026000543 820048333 /nfs/dbraw/zinc/04/83/33/820048333.db2.gz BHSVTDQAVRKKSU-QGZVFWFLSA-N 1 2 381.520 4.063 20 0 GIADLO CCCN(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410286351 823449522 /nfs/dbraw/zinc/44/95/22/823449522.db2.gz AEXQGKAFIDGPQB-LJQANCHMSA-N 1 2 380.536 4.085 20 0 GIADLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2cnc3ccccc3n2)CC1 ZINC000026137075 820063666 /nfs/dbraw/zinc/06/36/66/820063666.db2.gz NSJWTUKIWUUBAS-OAHLLOKOSA-N 1 2 375.501 4.123 20 0 GIADLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)cc1F ZINC000410286941 823449784 /nfs/dbraw/zinc/44/97/84/823449784.db2.gz CHEGGPCBOCUIFS-CQSZACIVSA-N 1 2 375.875 4.340 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccc(OC(F)F)cc1 ZINC000177398379 823453402 /nfs/dbraw/zinc/45/34/02/823453402.db2.gz FOZCKRQMBYCWMH-CQSZACIVSA-N 1 2 394.443 4.025 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccc(OC(F)F)cc1 ZINC000177398379 823453410 /nfs/dbraw/zinc/45/34/10/823453410.db2.gz FOZCKRQMBYCWMH-CQSZACIVSA-N 1 2 394.443 4.025 20 0 GIADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000026183584 820067832 /nfs/dbraw/zinc/06/78/32/820067832.db2.gz QBUQPJJWWFRIRX-INIZCTEOSA-N 1 2 382.895 4.269 20 0 GIADLO Cc1nc(-c2ccccc2)ccc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000026216999 820070258 /nfs/dbraw/zinc/07/02/58/820070258.db2.gz BHDVHZKJYNBHNG-UHFFFAOYSA-N 1 2 396.494 4.274 20 0 GIADLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)Cc1ccccc1Cl ZINC000026215988 820070406 /nfs/dbraw/zinc/07/04/06/820070406.db2.gz OWJYPYCHYYONHA-AWEZNQCLSA-N 1 2 387.936 4.429 20 0 GIADLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)Cc1ccccc1Cl ZINC000026215988 820070417 /nfs/dbraw/zinc/07/04/17/820070417.db2.gz OWJYPYCHYYONHA-AWEZNQCLSA-N 1 2 387.936 4.429 20 0 GIADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026302587 820079847 /nfs/dbraw/zinc/07/98/47/820079847.db2.gz CVUVNQHEIMDMDS-INIZCTEOSA-N 1 2 378.476 4.331 20 0 GIADLO C[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000573129912 823451135 /nfs/dbraw/zinc/45/11/35/823451135.db2.gz WVOMLCJVZKMSIR-QRVBRYPASA-N 1 2 397.519 4.057 20 0 GIADLO C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410290729 823451341 /nfs/dbraw/zinc/45/13/41/823451341.db2.gz PBOHRFZVPDUVMN-HOTGVXAUSA-N 1 2 387.911 4.046 20 0 GIADLO O=C(CCCc1cc(F)ccc1F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292670 823452116 /nfs/dbraw/zinc/45/21/16/823452116.db2.gz YFPMIVAQOJYBHV-QGZVFWFLSA-N 1 2 387.474 4.227 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000026452611 820098556 /nfs/dbraw/zinc/09/85/56/820098556.db2.gz AOXMLFMPQROVMX-UHFFFAOYSA-N 1 2 392.446 4.238 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000026452611 820098567 /nfs/dbraw/zinc/09/85/67/820098567.db2.gz AOXMLFMPQROVMX-UHFFFAOYSA-N 1 2 392.446 4.238 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@@H+](CC(C)C)C3CC3)nc2N2CCCC2)cc1 ZINC000026625840 820124698 /nfs/dbraw/zinc/12/46/98/820124698.db2.gz ODTYRAWJGUBCTH-UHFFFAOYSA-N 1 2 385.581 4.390 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@H+](CC(C)C)C3CC3)nc2N2CCCC2)cc1 ZINC000026625840 820124702 /nfs/dbraw/zinc/12/47/02/820124702.db2.gz ODTYRAWJGUBCTH-UHFFFAOYSA-N 1 2 385.581 4.390 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@@H](C)c3ccc(F)cc3)CC2)c(C)c1 ZINC000026640788 820127201 /nfs/dbraw/zinc/12/72/01/820127201.db2.gz BBPUAQDSNPEGPS-SFHVURJKSA-N 1 2 396.506 4.215 20 0 GIADLO c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000026904106 820161052 /nfs/dbraw/zinc/16/10/52/820161052.db2.gz IXGHTEDNVFCWJE-HXUWFJFHSA-N 1 2 375.472 4.040 20 0 GIADLO c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000026904106 820161056 /nfs/dbraw/zinc/16/10/56/820161056.db2.gz IXGHTEDNVFCWJE-HXUWFJFHSA-N 1 2 375.472 4.040 20 0 GIADLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000177416761 823457605 /nfs/dbraw/zinc/45/76/05/823457605.db2.gz HKDUWIASXYPQBM-YJYMSZOUSA-N 1 2 386.398 4.260 20 0 GIADLO O=C(CCOc1ccccc1Cl)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410315923 823460751 /nfs/dbraw/zinc/46/07/51/823460751.db2.gz DEOGBVRWWBKQRA-UHFFFAOYSA-N 1 2 387.911 4.201 20 0 GIADLO C[C@H]1CCc2c(C(=O)N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)csc2C1 ZINC000410328449 823464462 /nfs/dbraw/zinc/46/44/62/823464462.db2.gz SPGFGYYYFKZGHD-HOTGVXAUSA-N 1 2 383.561 4.426 20 0 GIADLO Cc1csc(-c2cccc(S(=O)(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)c2)n1 ZINC000410332206 823465879 /nfs/dbraw/zinc/46/58/79/823465879.db2.gz INXFBXZVFJWEKI-UHFFFAOYSA-N 1 2 384.486 4.104 20 0 GIADLO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2OC)c2ccccc2)cc1 ZINC000028621947 820345621 /nfs/dbraw/zinc/34/56/21/820345621.db2.gz AWSAJSPCNNNUNC-QFIPXVFZSA-N 1 2 376.456 4.173 20 0 GIADLO COc1ccc2c(CC(=O)Nc3nc(C[N@@H+]4CCC[C@H](C)C4)cs3)coc2c1 ZINC000028682301 820349985 /nfs/dbraw/zinc/34/99/85/820349985.db2.gz OCMBDVPWFYDVQA-AWEZNQCLSA-N 1 2 399.516 4.311 20 0 GIADLO COc1ccc2c(CC(=O)Nc3nc(C[N@H+]4CCC[C@H](C)C4)cs3)coc2c1 ZINC000028682301 820349992 /nfs/dbraw/zinc/34/99/92/820349992.db2.gz OCMBDVPWFYDVQA-AWEZNQCLSA-N 1 2 399.516 4.311 20 0 GIADLO Cc1cccc(OCCCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000028683221 820350743 /nfs/dbraw/zinc/35/07/43/820350743.db2.gz WNLRZDDUBFMFFY-KRWDZBQOSA-N 1 2 387.549 4.481 20 0 GIADLO Cc1cccc(OCCCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000028683221 820350749 /nfs/dbraw/zinc/35/07/49/820350749.db2.gz WNLRZDDUBFMFFY-KRWDZBQOSA-N 1 2 387.549 4.481 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[NH+](CC(=O)Nc1c(C)cccc1C)CC(C)C ZINC000028974160 820378838 /nfs/dbraw/zinc/37/88/38/820378838.db2.gz ZYTSPNCMWHHQJP-UHFFFAOYSA-N 1 2 395.547 4.455 20 0 GIADLO O=C(C[NH+]1CCC(OCC2CCCC2)CC1)Nc1nc(-c2ccco2)cs1 ZINC000177490043 823474706 /nfs/dbraw/zinc/47/47/06/823474706.db2.gz ACBGSLLEIAAUGN-UHFFFAOYSA-N 1 2 389.521 4.013 20 0 GIADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(-c4ccccc4Cl)on3)CC2)c1 ZINC000029045710 820386478 /nfs/dbraw/zinc/38/64/78/820386478.db2.gz LOLAJZFIIYBBGL-UHFFFAOYSA-N 1 2 395.890 4.261 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](Oc2ccccc2)c2ccccc2)c1C ZINC000058957209 823476083 /nfs/dbraw/zinc/47/60/83/823476083.db2.gz UHBQZCHCYKFOKU-HSZRJFAPSA-N 1 2 390.483 4.486 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c1C ZINC000058956883 823476088 /nfs/dbraw/zinc/47/60/88/823476088.db2.gz UBILCGNQGBMDIF-CYBMUJFWSA-N 1 2 397.302 4.440 20 0 GIADLO O=C(Nc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000029277678 820426453 /nfs/dbraw/zinc/42/64/53/820426453.db2.gz DUKMVVMYFMETLS-UHFFFAOYSA-N 1 2 382.423 4.377 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189704082 823479417 /nfs/dbraw/zinc/47/94/17/823479417.db2.gz HITPJGUCUZLHBO-REWPJTCUSA-N 1 2 388.515 4.142 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000410387267 823483346 /nfs/dbraw/zinc/48/33/46/823483346.db2.gz YQSLETBYAVATAI-PRWKNARSSA-N 1 2 389.833 4.328 20 0 GIADLO CC(C)[C@@H](C)[N@H+](C)Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S ZINC000029541721 820472640 /nfs/dbraw/zinc/47/26/40/820472640.db2.gz SKUNVUHZTLWXQF-QGZVFWFLSA-N 1 2 381.549 4.458 20 0 GIADLO CC(C)[C@@H](C)[N@@H+](C)Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S ZINC000029541721 820472646 /nfs/dbraw/zinc/47/26/46/820472646.db2.gz SKUNVUHZTLWXQF-QGZVFWFLSA-N 1 2 381.549 4.458 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000573338926 823481828 /nfs/dbraw/zinc/48/18/28/823481828.db2.gz LTRFTJGQUKSPMH-FUHWJXTLSA-N 1 2 386.927 4.351 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(F)c(Cl)cc1F ZINC000123231116 823482384 /nfs/dbraw/zinc/48/23/84/823482384.db2.gz AABOWYOZWPJPNO-UHFFFAOYSA-N 1 2 393.865 4.392 20 0 GIADLO C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4cccc(Cn5cc[nH+]c5)c4)cc3c2C1 ZINC000029667678 820495610 /nfs/dbraw/zinc/49/56/10/820495610.db2.gz JFKBXCIBGVGKLZ-QGZVFWFLSA-N 1 2 398.510 4.468 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc(C)c3)no2)c(OC)c1 ZINC000029707253 820502557 /nfs/dbraw/zinc/50/25/57/820502557.db2.gz PZLDOAMMGSZZAS-LJQANCHMSA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc(C)c3)no2)c(OC)c1 ZINC000029707253 820502562 /nfs/dbraw/zinc/50/25/62/820502562.db2.gz PZLDOAMMGSZZAS-LJQANCHMSA-N 1 2 379.460 4.399 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@H+](C)CC(=O)Nc3cccc(Cl)c3)c2cc1C ZINC000029861451 820534918 /nfs/dbraw/zinc/53/49/18/820534918.db2.gz VJXPLVHMHZGXSD-UHFFFAOYSA-N 1 2 384.863 4.134 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@@H+](C)CC(=O)Nc3cccc(Cl)c3)c2cc1C ZINC000029861451 820534924 /nfs/dbraw/zinc/53/49/24/820534924.db2.gz VJXPLVHMHZGXSD-UHFFFAOYSA-N 1 2 384.863 4.134 20 0 GIADLO O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189748340 823487220 /nfs/dbraw/zinc/48/72/20/823487220.db2.gz VGRKLHJENFMXQF-UHFFFAOYSA-N 1 2 395.875 4.220 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1COc1ccccc1 ZINC000030012615 820569083 /nfs/dbraw/zinc/56/90/83/820569083.db2.gz STVUMWYNVQCTGA-UHFFFAOYSA-N 1 2 387.483 4.191 20 0 GIADLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)NCc3ccccc3)CC2)cc1 ZINC000059403708 823495310 /nfs/dbraw/zinc/49/53/10/823495310.db2.gz RPFZKNYXKMFYFW-UHFFFAOYSA-N 1 2 392.543 4.096 20 0 GIADLO COc1cccc([C@@H]([NH2+]Cc2ccc(OC)c(O)c2)c2cc(F)ccc2OC)c1 ZINC000177562557 823491860 /nfs/dbraw/zinc/49/18/60/823491860.db2.gz MKPNXPGOQBBWNN-HSZRJFAPSA-N 1 2 397.446 4.436 20 0 GIADLO Cc1cc(NC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(C)c[nH+]1 ZINC000573466839 823493316 /nfs/dbraw/zinc/49/33/16/823493316.db2.gz TYQSAKUMCDPBBA-KRWDZBQOSA-N 1 2 388.471 4.255 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc2cc(Br)ccc2[nH]1 ZINC000030609454 820650130 /nfs/dbraw/zinc/65/01/30/820650130.db2.gz IBRZOCMGADRVFJ-UHFFFAOYSA-N 1 2 381.233 4.368 20 0 GIADLO Cc1ccc(-c2nc(C)c(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)s2)o1 ZINC000031225891 820773743 /nfs/dbraw/zinc/77/37/43/820773743.db2.gz CLRLEYGXMHZXRZ-UHFFFAOYSA-N 1 2 392.484 4.195 20 0 GIADLO CCCCC[N@H+](Cc1csc(CC(=O)NC)n1)Cc1ccc(Cl)cc1 ZINC000177623559 823503154 /nfs/dbraw/zinc/50/31/54/823503154.db2.gz FGFUWCWHYADOFK-UHFFFAOYSA-N 1 2 379.957 4.277 20 0 GIADLO CCCCC[N@@H+](Cc1csc(CC(=O)NC)n1)Cc1ccc(Cl)cc1 ZINC000177623559 823503156 /nfs/dbraw/zinc/50/31/56/823503156.db2.gz FGFUWCWHYADOFK-UHFFFAOYSA-N 1 2 379.957 4.277 20 0 GIADLO CCCCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OCC ZINC000123381622 823503481 /nfs/dbraw/zinc/50/34/81/823503481.db2.gz XMXNKAKSFXPUAX-MJGOQNOKSA-N 1 2 385.508 4.184 20 0 GIADLO CCC(CC)[C@H](C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000460770481 823507779 /nfs/dbraw/zinc/50/77/79/823507779.db2.gz RDTAPOCESNNCLX-RDTXWAMCSA-N 1 2 386.458 4.020 20 0 GIADLO O=C(Cc1ccccc1F)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895440 820871658 /nfs/dbraw/zinc/87/16/58/820871658.db2.gz OWGWWOYJOUEIMU-GOSISDBHSA-N 1 2 378.850 4.114 20 0 GIADLO COc1cccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000031895908 820872355 /nfs/dbraw/zinc/87/23/55/820872355.db2.gz FMHDUKFMQPCQHX-SFHVURJKSA-N 1 2 376.859 4.055 20 0 GIADLO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000031962950 820880522 /nfs/dbraw/zinc/88/05/22/820880522.db2.gz CLRZFYLICDBWDC-CQSZACIVSA-N 1 2 397.569 4.357 20 0 GIADLO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000031962950 820880534 /nfs/dbraw/zinc/88/05/34/820880534.db2.gz CLRZFYLICDBWDC-CQSZACIVSA-N 1 2 397.569 4.357 20 0 GIADLO COc1c(C)c[nH+]c(CSc2nnc(-c3ccco3)n2Cc2ccco2)c1C ZINC000123460818 823511367 /nfs/dbraw/zinc/51/13/67/823511367.db2.gz JCUFGPBVPAKBBE-UHFFFAOYSA-N 1 2 396.472 4.492 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc2cc[nH]c2c1 ZINC000033231115 821052371 /nfs/dbraw/zinc/05/23/71/821052371.db2.gz PCKVHYBWFRNJAD-UHFFFAOYSA-N 1 2 388.496 4.435 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc2cc[nH]c2c1 ZINC000033231115 821052381 /nfs/dbraw/zinc/05/23/81/821052381.db2.gz PCKVHYBWFRNJAD-UHFFFAOYSA-N 1 2 388.496 4.435 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cc(F)cc(F)c1 ZINC000060441916 823528179 /nfs/dbraw/zinc/52/81/79/823528179.db2.gz JHKUXKCZULIPCT-UHFFFAOYSA-N 1 2 399.441 4.293 20 0 GIADLO Ic1ccccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000035038904 821063857 /nfs/dbraw/zinc/06/38/57/821063857.db2.gz NJPHLRIEEHPZLN-UHFFFAOYSA-N 1 2 375.213 4.089 20 0 GIADLO CC(C)(C)c1ccc(OCC(=O)NCCCCn2cc[nH+]c2)c(C(C)(C)C)c1 ZINC000060408131 823524246 /nfs/dbraw/zinc/52/42/46/823524246.db2.gz GPNZQSWYGGPPCK-UHFFFAOYSA-N 1 2 385.552 4.454 20 0 GIADLO Cc1ccsc1C[N@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000038287913 821095141 /nfs/dbraw/zinc/09/51/41/821095141.db2.gz GVVWOPLDKOXOSE-UHFFFAOYSA-N 1 2 378.346 4.269 20 0 GIADLO Cc1ccsc1C[N@@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000038287913 821095148 /nfs/dbraw/zinc/09/51/48/821095148.db2.gz GVVWOPLDKOXOSE-UHFFFAOYSA-N 1 2 378.346 4.269 20 0 GIADLO C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1nc(-c2cccc(F)c2)no1 ZINC000190039697 823529710 /nfs/dbraw/zinc/52/97/10/823529710.db2.gz XGEYDAZALUQVBG-FTRWYGJKSA-N 1 2 380.467 4.362 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1cccs1)Cc1cccs1 ZINC000177792349 823526695 /nfs/dbraw/zinc/52/66/95/823526695.db2.gz ZNRVGYARPIYHCQ-UHFFFAOYSA-N 1 2 382.514 4.369 20 0 GIADLO COc1cc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc(Cl)c1OC ZINC000190022896 823527229 /nfs/dbraw/zinc/52/72/29/823527229.db2.gz YEKWDUVTKJFPGK-UHFFFAOYSA-N 1 2 397.849 4.119 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)C[C@H]1n1cc[nH+]c1 ZINC000123676364 823530768 /nfs/dbraw/zinc/53/07/68/823530768.db2.gz CLKZOZBVKZPKRB-FZKQIMNGSA-N 1 2 390.409 4.117 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(Cl)nccc1C(F)(F)F ZINC000123676852 823530879 /nfs/dbraw/zinc/53/08/79/823530879.db2.gz BPNDCMWXSKBVRF-UHFFFAOYSA-N 1 2 398.747 4.009 20 0 GIADLO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000060483700 823533353 /nfs/dbraw/zinc/53/33/53/823533353.db2.gz LPZYDOOQWGKUDP-MRXNPFEDSA-N 1 2 384.907 4.112 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCSc2ccc(Cl)cc2)c1C ZINC000060533871 823539394 /nfs/dbraw/zinc/53/93/94/823539394.db2.gz JHOUSOWSQASBHJ-UHFFFAOYSA-N 1 2 393.940 4.294 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1(c2ccc(F)cc2)CCCC1 ZINC000042044928 821257101 /nfs/dbraw/zinc/25/71/01/821257101.db2.gz KWVDHZYJKLTEDP-UHFFFAOYSA-N 1 2 377.463 4.199 20 0 GIADLO COCc1c2ccccc2oc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000042051191 821258007 /nfs/dbraw/zinc/25/80/07/821258007.db2.gz FGSIFRJMVXAPPI-UHFFFAOYSA-N 1 2 385.489 4.274 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1C ZINC000123781655 823540209 /nfs/dbraw/zinc/54/02/09/823540209.db2.gz XZOKCFPJJFPLBO-WBVHZDCISA-N 1 2 393.487 4.426 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1C ZINC000123781655 823540212 /nfs/dbraw/zinc/54/02/12/823540212.db2.gz XZOKCFPJJFPLBO-WBVHZDCISA-N 1 2 393.487 4.426 20 0 GIADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000042563676 821310462 /nfs/dbraw/zinc/31/04/62/821310462.db2.gz NKBJXSBCCRVXGF-OAHLLOKOSA-N 1 2 390.886 4.487 20 0 GIADLO CC(C)Cc1ccc(CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000042652790 821319965 /nfs/dbraw/zinc/31/99/65/821319965.db2.gz CTDAFVMFFYJNCH-UHFFFAOYSA-N 1 2 375.516 4.031 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)NCCc3ccc(OC(C)C)cc3)cn2c1 ZINC000042720983 821327164 /nfs/dbraw/zinc/32/71/64/821327164.db2.gz TXTXJQKQUPXZQR-UHFFFAOYSA-N 1 2 397.544 4.022 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCCc2ccccc2)C[C@H](C)O1 ZINC000042997893 821353368 /nfs/dbraw/zinc/35/33/68/821353368.db2.gz MEZWGSAVSFJYPT-OALUTQOASA-N 1 2 381.520 4.050 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccccc1Br ZINC000043133019 821364925 /nfs/dbraw/zinc/36/49/25/821364925.db2.gz AOIVRRGQBQATBO-UHFFFAOYSA-N 1 2 385.265 4.016 20 0 GIADLO Cc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(Cl)c1 ZINC000043188208 821376374 /nfs/dbraw/zinc/37/63/74/821376374.db2.gz AXJVTTZBCGYCKK-UHFFFAOYSA-N 1 2 387.915 4.224 20 0 GIADLO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000180669001 821389317 /nfs/dbraw/zinc/38/93/17/821389317.db2.gz JKPNYHQFPBNCOH-CABCVRRESA-N 1 2 378.480 4.008 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@@H]1Cc1ccccc1 ZINC000043516931 821420609 /nfs/dbraw/zinc/42/06/09/821420609.db2.gz JWDKOPHAFNTPAB-LJQANCHMSA-N 1 2 384.549 4.368 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3c[nH]c4ccccc34)n2)C1 ZINC000043546440 821424196 /nfs/dbraw/zinc/42/41/96/821424196.db2.gz PJZXATUDUCDFAM-OAHLLOKOSA-N 1 2 397.548 4.221 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3c[nH]c4ccccc34)n2)C1 ZINC000043546440 821424202 /nfs/dbraw/zinc/42/42/02/821424202.db2.gz PJZXATUDUCDFAM-OAHLLOKOSA-N 1 2 397.548 4.221 20 0 GIADLO COc1ccc(OC(F)F)c(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180753583 821435582 /nfs/dbraw/zinc/43/55/82/821435582.db2.gz JJKUIVNVDYXIKZ-IBGZPJMESA-N 1 2 391.393 4.048 20 0 GIADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000043646427 821435831 /nfs/dbraw/zinc/43/58/31/821435831.db2.gz JMNNQETUUPLOFN-CYBMUJFWSA-N 1 2 398.450 4.052 20 0 GIADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000043646427 821435835 /nfs/dbraw/zinc/43/58/35/821435835.db2.gz JMNNQETUUPLOFN-CYBMUJFWSA-N 1 2 398.450 4.052 20 0 GIADLO CCOc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(-n4cccn4)cc3)n2)cc1 ZINC000180819648 821479484 /nfs/dbraw/zinc/47/94/84/821479484.db2.gz XEVMJJKPSUMTMD-MRXNPFEDSA-N 1 2 389.459 4.172 20 0 GIADLO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180827249 821483703 /nfs/dbraw/zinc/48/37/03/821483703.db2.gz QXWADQLFIYYMKA-OPAMFIHVSA-N 1 2 394.494 4.423 20 0 GIADLO O=C(NCCn1cc[nH+]c1)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000043945869 821493427 /nfs/dbraw/zinc/49/34/27/821493427.db2.gz ZHJGAJYJEWYHHQ-UHFFFAOYSA-N 1 2 394.525 4.215 20 0 GIADLO Cc1cc(Cl)c(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1C ZINC000180868947 821504382 /nfs/dbraw/zinc/50/43/82/821504382.db2.gz RQAPOTGZTMCURF-UHFFFAOYSA-N 1 2 385.939 4.422 20 0 GIADLO COc1cc(C[N@H+](Cc2nc(-c3ccco3)no2)C2CC2)ccc1OC(F)F ZINC000044072944 821515553 /nfs/dbraw/zinc/51/55/53/821515553.db2.gz SJQWKWOMICGUIV-UHFFFAOYSA-N 1 2 391.374 4.104 20 0 GIADLO COc1cc(C[N@@H+](Cc2nc(-c3ccco3)no2)C2CC2)ccc1OC(F)F ZINC000044072944 821515560 /nfs/dbraw/zinc/51/55/60/821515560.db2.gz SJQWKWOMICGUIV-UHFFFAOYSA-N 1 2 391.374 4.104 20 0 GIADLO FC(F)Sc1ccc(NC(=S)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000044083063 821519059 /nfs/dbraw/zinc/51/90/59/821519059.db2.gz HAPICFZDTRJVFU-UHFFFAOYSA-N 1 2 394.516 4.352 20 0 GIADLO Clc1ccc(-n2c(C[NH+]3CCCC3)nnc2SC[C@H]2CCCCO2)cc1 ZINC000044172740 821539307 /nfs/dbraw/zinc/53/93/07/821539307.db2.gz QSBHKTQBQXXAAR-QGZVFWFLSA-N 1 2 392.956 4.178 20 0 GIADLO Cc1oc2nc(C[NH2+][C@H](C)c3ccc(OCC(F)(F)F)cc3)nc(N)c2c1C ZINC000180943813 821550073 /nfs/dbraw/zinc/55/00/73/821550073.db2.gz AQHSIBDKNBFRBD-LLVKDONJSA-N 1 2 394.397 4.214 20 0 GIADLO Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(Cl)n1 ZINC000044520766 821598805 /nfs/dbraw/zinc/59/88/05/821598805.db2.gz SSGYAMSFGZUJKN-INIZCTEOSA-N 1 2 396.293 4.403 20 0 GIADLO O=C(COc1ccc(F)cc1F)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044567127 821609680 /nfs/dbraw/zinc/60/96/80/821609680.db2.gz SETRQDMTNPFXAJ-UHFFFAOYSA-N 1 2 383.398 4.182 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(Cn2cccn2)cc1 ZINC000044567807 821610135 /nfs/dbraw/zinc/61/01/35/821610135.db2.gz YYIXTSOSEODUOS-UHFFFAOYSA-N 1 2 397.482 4.384 20 0 GIADLO c1ccc2sc(C3CC[NH+](Cc4nnc(C5CC5)n4C4CC4)CC3)nc2c1 ZINC000181075751 821620579 /nfs/dbraw/zinc/62/05/79/821620579.db2.gz LEVPYHCWTYTKBF-UHFFFAOYSA-N 1 2 379.533 4.480 20 0 GIADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000181108689 821638117 /nfs/dbraw/zinc/63/81/17/821638117.db2.gz KYHPJOMFNDPACQ-INIZCTEOSA-N 1 2 387.281 4.175 20 0 GIADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000181108689 821638120 /nfs/dbraw/zinc/63/81/20/821638120.db2.gz KYHPJOMFNDPACQ-INIZCTEOSA-N 1 2 387.281 4.175 20 0 GIADLO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]Cc2nc(C3CC3)no2)cc1OC ZINC000181140975 821659682 /nfs/dbraw/zinc/65/96/82/821659682.db2.gz RXHBCNJBRVKIIJ-LJQANCHMSA-N 1 2 393.487 4.346 20 0 GIADLO CCOc1ccc(-c2noc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)n2)cc1 ZINC000044871097 821674284 /nfs/dbraw/zinc/67/42/84/821674284.db2.gz WVMHCOMIJXJWNK-GOSISDBHSA-N 1 2 399.516 4.378 20 0 GIADLO CCOc1ccc(-c2noc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)n2)cc1 ZINC000044871097 821674289 /nfs/dbraw/zinc/67/42/89/821674289.db2.gz WVMHCOMIJXJWNK-GOSISDBHSA-N 1 2 399.516 4.378 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000181191399 821686827 /nfs/dbraw/zinc/68/68/27/821686827.db2.gz QXUHINDSGDYXLT-GHTZIAJQSA-N 1 2 377.488 4.226 20 0 GIADLO CCO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cs1 ZINC000181284022 821734372 /nfs/dbraw/zinc/73/43/72/821734372.db2.gz YAGPCZSEZOGGER-ZIAGYGMSSA-N 1 2 375.494 4.048 20 0 GIADLO Cc1ccccc1-c1noc([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000181312887 821751855 /nfs/dbraw/zinc/75/18/55/821751855.db2.gz WRWGVTMOAOZYMC-HZPDHXFCSA-N 1 2 392.459 4.413 20 0 GIADLO Cc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)n2)ccc1F ZINC000181341679 821773280 /nfs/dbraw/zinc/77/32/80/821773280.db2.gz HHXKJZACDNBPMO-HNNXBMFYSA-N 1 2 394.450 4.162 20 0 GIADLO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2OC)cc1 ZINC000181363910 821788881 /nfs/dbraw/zinc/78/88/81/821788881.db2.gz OTTCFFQILKVNMC-OPAMFIHVSA-N 1 2 395.455 4.108 20 0 GIADLO Cc1c([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)nnn1-c1ccc(Cl)cc1 ZINC000181460095 821836533 /nfs/dbraw/zinc/83/65/33/821836533.db2.gz IHUJDFHKYMCKBP-AWEZNQCLSA-N 1 2 398.894 4.241 20 0 GIADLO CC[C@H](C)Oc1cc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000181486074 821847403 /nfs/dbraw/zinc/84/74/03/821847403.db2.gz VPNXCFAKVQYLAM-SFHVURJKSA-N 1 2 396.535 4.033 20 0 GIADLO Cc1ncc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)s1 ZINC000181496496 821853165 /nfs/dbraw/zinc/85/31/65/821853165.db2.gz KQAFWMGQQUXPKQ-UHFFFAOYSA-N 1 2 384.332 4.153 20 0 GIADLO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4nnc(C5CC5)n4C4CC4)C3)[nH]c2c1 ZINC000181525677 821866574 /nfs/dbraw/zinc/86/65/74/821866574.db2.gz HQWDNATVECWZFE-INIZCTEOSA-N 1 2 376.508 4.055 20 0 GIADLO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4nnc(C5CC5)n4C4CC4)C3)[nH]c2c1 ZINC000181525677 821866581 /nfs/dbraw/zinc/86/65/81/821866581.db2.gz HQWDNATVECWZFE-INIZCTEOSA-N 1 2 376.508 4.055 20 0 GIADLO Cc1oc2nc(C[NH2+][C@H](C)c3ccc(OCC4CC4)c(F)c3)nc(N)c2c1C ZINC000181570386 821884227 /nfs/dbraw/zinc/88/42/27/821884227.db2.gz GKNNKXUXXQWECX-GFCCVEGCSA-N 1 2 384.455 4.201 20 0 GIADLO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000181592421 821894140 /nfs/dbraw/zinc/89/41/40/821894140.db2.gz GGXXFHTUBCLJES-SFHVURJKSA-N 1 2 392.547 4.301 20 0 GIADLO COCCN(C(C)=O)c1nc(C[NH2+][C@@H](C)c2cccc3ccccc32)cs1 ZINC000181659988 821928228 /nfs/dbraw/zinc/92/82/28/821928228.db2.gz WYRMJRWEYYUYCI-HNNXBMFYSA-N 1 2 383.517 4.146 20 0 GIADLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(C)cc1 ZINC000181706874 821952518 /nfs/dbraw/zinc/95/25/18/821952518.db2.gz MSFPAQMUCARVDG-DLBZAZTESA-N 1 2 379.273 4.164 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1c(F)cccc1Cl ZINC000181732900 821966866 /nfs/dbraw/zinc/96/68/66/821966866.db2.gz TXDFKHONFLBEQV-LLVKDONJSA-N 1 2 377.872 4.402 20 0 GIADLO CC[C@H]([NH2+]Cc1csc(C2CCCCC2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000181750704 821975867 /nfs/dbraw/zinc/97/58/67/821975867.db2.gz WADKOVCKKWIQAY-SFHVURJKSA-N 1 2 393.578 4.079 20 0 GIADLO CCC[C@@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccccc1 ZINC000181787183 821992078 /nfs/dbraw/zinc/99/20/78/821992078.db2.gz NLOJTJJOUCOPSD-GOSISDBHSA-N 1 2 398.507 4.238 20 0 GIADLO CCS[C@@H](C)c1noc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000181974559 822050007 /nfs/dbraw/zinc/05/00/07/822050007.db2.gz ZFXXJXAAODBMEF-UGSOOPFHSA-N 1 2 377.510 4.142 20 0 GIADLO C[NH+](C)[C@H](C(=O)OCc1nc2cc(C(F)(F)F)ccc2o1)c1ccccc1 ZINC000181984777 822053697 /nfs/dbraw/zinc/05/36/97/822053697.db2.gz RUZRYEMWUVPTMM-KRWDZBQOSA-N 1 2 378.350 4.193 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@H](C)c3sc(C)nc3C)co2)cc1 ZINC000182156518 822121738 /nfs/dbraw/zinc/12/17/38/822121738.db2.gz FIPNONZETPYLJM-CYBMUJFWSA-N 1 2 385.489 4.395 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3sc(C)nc3C)co2)cc1 ZINC000182156518 822121745 /nfs/dbraw/zinc/12/17/45/822121745.db2.gz FIPNONZETPYLJM-CYBMUJFWSA-N 1 2 385.489 4.395 20 0 GIADLO CSCCCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000182202189 822144570 /nfs/dbraw/zinc/14/45/70/822144570.db2.gz CTABZOQJCFEMMM-VQTJNVASSA-N 1 2 386.565 4.334 20 0 GIADLO Cc1cnc(CC[N@@H+](C)Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)s1 ZINC000182363829 822216261 /nfs/dbraw/zinc/21/62/61/822216261.db2.gz VQGNCSNSIGFZTP-UHFFFAOYSA-N 1 2 382.320 4.014 20 0 GIADLO Cc1cnc(CC[N@H+](C)Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)s1 ZINC000182363829 822216271 /nfs/dbraw/zinc/21/62/71/822216271.db2.gz VQGNCSNSIGFZTP-UHFFFAOYSA-N 1 2 382.320 4.014 20 0 GIADLO CC[C@H]([NH2+]Cc1csc(-c2cccc(C(=O)OC)c2)n1)c1c(C)noc1C ZINC000182478199 822258115 /nfs/dbraw/zinc/25/81/15/822258115.db2.gz SMLKWIWJEAXOFR-KRWDZBQOSA-N 1 2 385.489 4.442 20 0 GIADLO COc1ccc(-c2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)c(F)c2)cc1 ZINC000178062181 822305870 /nfs/dbraw/zinc/30/58/70/822305870.db2.gz UKKSFYVCVDETAP-UHFFFAOYSA-N 1 2 375.403 4.079 20 0 GIADLO CC(=O)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000182590382 822313985 /nfs/dbraw/zinc/31/39/85/822313985.db2.gz BWBMJJOOEUDAFI-LJQANCHMSA-N 1 2 379.378 4.204 20 0 GIADLO CC(=O)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000182590382 822313995 /nfs/dbraw/zinc/31/39/95/822313995.db2.gz BWBMJJOOEUDAFI-LJQANCHMSA-N 1 2 379.378 4.204 20 0 GIADLO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H](C)c3cc4ccccc4o3)cs2)c1C ZINC000182646667 822337599 /nfs/dbraw/zinc/33/75/99/822337599.db2.gz BLOWTBBJGLNMDF-CQSZACIVSA-N 1 2 394.500 4.118 20 0 GIADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3nnc(-c4ccccc4)n3C)oc21 ZINC000182650211 822338370 /nfs/dbraw/zinc/33/83/70/822338370.db2.gz BXOPEQPTAPGCBU-OAHLLOKOSA-N 1 2 376.460 4.478 20 0 GIADLO CC[C@](C)([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1nccs1 ZINC000182671201 822346127 /nfs/dbraw/zinc/34/61/27/822346127.db2.gz NTNYIFLAHRCFGH-KRWDZBQOSA-N 1 2 397.338 4.482 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)sc2C1 ZINC000045050189 822359610 /nfs/dbraw/zinc/35/96/10/822359610.db2.gz VHJKMAZEQDIVKH-UHFFFAOYSA-N 1 2 396.497 4.253 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)sc2C1 ZINC000045050189 822359613 /nfs/dbraw/zinc/35/96/13/822359613.db2.gz VHJKMAZEQDIVKH-UHFFFAOYSA-N 1 2 396.497 4.253 20 0 GIADLO O=C(NCc1ccc(Cl)s1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178304686 822365453 /nfs/dbraw/zinc/36/54/53/822365453.db2.gz TYEGGGLRRJGAQM-WMZOPIPTSA-N 1 2 386.908 4.326 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cn3c(=S)nc4nc(C)c(C)c(C)n43)C2)c1 ZINC000182795586 822368674 /nfs/dbraw/zinc/36/86/74/822368674.db2.gz CNRGTGXSDGBIMP-SFHVURJKSA-N 1 2 381.549 4.249 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3c(=S)nc4nc(C)c(C)c(C)n43)C2)c1 ZINC000182795586 822368680 /nfs/dbraw/zinc/36/86/80/822368680.db2.gz CNRGTGXSDGBIMP-SFHVURJKSA-N 1 2 381.549 4.249 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3nc(-c4ccncc4)n(C)c3=S)C2)c1 ZINC000182797334 822368992 /nfs/dbraw/zinc/36/89/92/822368992.db2.gz NCKIEAMOUZMHGX-SFHVURJKSA-N 1 2 379.533 4.077 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cn3nc(-c4ccncc4)n(C)c3=S)C2)c1 ZINC000182797334 822368999 /nfs/dbraw/zinc/36/89/99/822368999.db2.gz NCKIEAMOUZMHGX-SFHVURJKSA-N 1 2 379.533 4.077 20 0 GIADLO CCOCCCNC(=O)c1cccc(N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000182802271 822370089 /nfs/dbraw/zinc/37/00/89/822370089.db2.gz KIBNUFBLVFYSGO-SFHVURJKSA-N 1 2 392.503 4.202 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3csc(-c4ccccn4)n3)C2)n1 ZINC000182804103 822370380 /nfs/dbraw/zinc/37/03/80/822370380.db2.gz OELHSZPSDOCAKD-CQSZACIVSA-N 1 2 393.438 4.258 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)n1 ZINC000182804103 822370382 /nfs/dbraw/zinc/37/03/82/822370382.db2.gz OELHSZPSDOCAKD-CQSZACIVSA-N 1 2 393.438 4.258 20 0 GIADLO COc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3cc(OC)c(OC)cc3C)n2)cc1 ZINC000178384102 822373590 /nfs/dbraw/zinc/37/35/90/822373590.db2.gz DOYBEBPLCUAQAS-LSDHHAIUSA-N 1 2 397.475 4.483 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cccc(F)c2)cc1 ZINC000045294235 822376626 /nfs/dbraw/zinc/37/66/26/822376626.db2.gz DNXQZAMOBSWRFV-UHFFFAOYSA-N 1 2 381.451 4.154 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Cc2ccc(F)cc2)cc1 ZINC000045294236 822376753 /nfs/dbraw/zinc/37/67/53/822376753.db2.gz ZKMXUQZLEZKUNO-UHFFFAOYSA-N 1 2 395.478 4.083 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cccc(C)c2)cc1 ZINC000045294255 822376865 /nfs/dbraw/zinc/37/68/65/822376865.db2.gz SYXQACCQQLKSKO-UHFFFAOYSA-N 1 2 377.488 4.323 20 0 GIADLO Cc1c([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cnn1-c1cccc(Cl)c1 ZINC000182873378 822383565 /nfs/dbraw/zinc/38/35/65/822383565.db2.gz PGCKLRJCDGGLKS-OAHLLOKOSA-N 1 2 397.910 4.239 20 0 GIADLO CC(C)[C@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000182916949 822392224 /nfs/dbraw/zinc/39/22/24/822392224.db2.gz AYDKKVLUPRLVJG-YJBOKZPZSA-N 1 2 378.879 4.247 20 0 GIADLO CC(C)[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000182916927 822392340 /nfs/dbraw/zinc/39/23/40/822392340.db2.gz AYDKKVLUPRLVJG-CRAIPNDOSA-N 1 2 378.879 4.247 20 0 GIADLO CN(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000045532069 822394099 /nfs/dbraw/zinc/39/40/99/822394099.db2.gz COKOGDDKSRJVPL-JOCHJYFZSA-N 1 2 388.515 4.193 20 0 GIADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178801709 822411665 /nfs/dbraw/zinc/41/16/65/822411665.db2.gz BQPSTJGJJRSAFP-FXUCQVAHSA-N 1 2 386.561 4.397 20 0 GIADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178801709 822411667 /nfs/dbraw/zinc/41/16/67/822411667.db2.gz BQPSTJGJJRSAFP-FXUCQVAHSA-N 1 2 386.561 4.397 20 0 GIADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178803674 822412066 /nfs/dbraw/zinc/41/20/66/822412066.db2.gz GKXKXCHFXIFPQO-JWIGPWBQSA-N 1 2 380.513 4.036 20 0 GIADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178803674 822412067 /nfs/dbraw/zinc/41/20/67/822412067.db2.gz GKXKXCHFXIFPQO-JWIGPWBQSA-N 1 2 380.513 4.036 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1Cl ZINC000045774038 822412106 /nfs/dbraw/zinc/41/21/06/822412106.db2.gz IVARYADQUDQLGJ-NSHDSACASA-N 1 2 398.837 4.267 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1Cl ZINC000045774038 822412107 /nfs/dbraw/zinc/41/21/07/822412107.db2.gz IVARYADQUDQLGJ-NSHDSACASA-N 1 2 398.837 4.267 20 0 GIADLO CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1C ZINC000045780002 822412927 /nfs/dbraw/zinc/41/29/27/822412927.db2.gz ZCSXIUIFXDGVDQ-LBPRGKRZSA-N 1 2 396.459 4.143 20 0 GIADLO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1C ZINC000045780002 822412928 /nfs/dbraw/zinc/41/29/28/822412928.db2.gz ZCSXIUIFXDGVDQ-LBPRGKRZSA-N 1 2 396.459 4.143 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000178814301 822413278 /nfs/dbraw/zinc/41/32/78/822413278.db2.gz KYPAVIAOFJAYGK-QGZVFWFLSA-N 1 2 392.528 4.227 20 0 GIADLO CC(C)=CCC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000453844415 822415744 /nfs/dbraw/zinc/41/57/44/822415744.db2.gz CZJFOPLGSSUJMP-QGZVFWFLSA-N 1 2 394.519 4.076 20 0 GIADLO CC(C)=CCC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000453844413 822415853 /nfs/dbraw/zinc/41/58/53/822415853.db2.gz CZJFOPLGSSUJMP-KRWDZBQOSA-N 1 2 394.519 4.076 20 0 GIADLO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000183042731 822416516 /nfs/dbraw/zinc/41/65/16/822416516.db2.gz RIYZZKWVNLTRBN-UONOGXRCSA-N 1 2 398.438 4.019 20 0 GIADLO O=C(Cn1c2ccccc2nc1SC(F)F)Nc1ccccc1-n1cc[nH+]c1 ZINC000045955581 822426602 /nfs/dbraw/zinc/42/66/02/822426602.db2.gz MRHLYRAHJCNABV-UHFFFAOYSA-N 1 2 399.426 4.175 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccccc1-n1cccn1 ZINC000183134941 822429042 /nfs/dbraw/zinc/42/90/42/822429042.db2.gz RPEGBCSEBUHCLS-GFCCVEGCSA-N 1 2 399.376 4.190 20 0 GIADLO Cc1cc(-c2noc(C[NH2+][C@H](C)c3ccccc3-n3cccn3)n2)ccc1F ZINC000183134822 822429077 /nfs/dbraw/zinc/42/90/77/822429077.db2.gz VBBDBQBQSIWBRL-OAHLLOKOSA-N 1 2 377.423 4.221 20 0 GIADLO FC(F)(F)c1ccn(C2CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)n1 ZINC000183159369 822433250 /nfs/dbraw/zinc/43/32/50/822433250.db2.gz YQUVOTQSEPFFRB-UHFFFAOYSA-N 1 2 379.213 4.441 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1occc1-c1ccc(F)cc1 ZINC000179067380 822434965 /nfs/dbraw/zinc/43/49/65/822434965.db2.gz LDXSMIIRBORCPO-UHFFFAOYSA-N 1 2 375.403 4.261 20 0 GIADLO CCO[C@H](C)c1nc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cs1 ZINC000183170352 822434994 /nfs/dbraw/zinc/43/49/94/822434994.db2.gz DYAXQFXNPLFBIU-GFCCVEGCSA-N 1 2 388.459 4.293 20 0 GIADLO CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000046019525 822435306 /nfs/dbraw/zinc/43/53/06/822435306.db2.gz VRHJCYNITZQEQD-SFHVURJKSA-N 1 2 392.503 4.233 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000454259382 822445127 /nfs/dbraw/zinc/44/51/27/822445127.db2.gz UMOYZDMWYOSUAN-IBGZPJMESA-N 1 2 390.890 4.005 20 0 GIADLO CCC(CC)n1nc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1C ZINC000183242139 822447280 /nfs/dbraw/zinc/44/72/80/822447280.db2.gz YJGYSVNDQUQSHS-UHFFFAOYSA-N 1 2 381.480 4.080 20 0 GIADLO CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000046182711 822447651 /nfs/dbraw/zinc/44/76/51/822447651.db2.gz YTKGMRHOCLRPJY-UHFFFAOYSA-N 1 2 382.851 4.186 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)n2)C1 ZINC000454285155 822451250 /nfs/dbraw/zinc/45/12/50/822451250.db2.gz ZVCABQLMMFOTTI-HUQZETJFSA-N 1 2 386.565 4.051 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)n2)C1 ZINC000454285155 822451253 /nfs/dbraw/zinc/45/12/53/822451253.db2.gz ZVCABQLMMFOTTI-HUQZETJFSA-N 1 2 386.565 4.051 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1cccc(N2CCCC2=O)c1 ZINC000179213950 822452016 /nfs/dbraw/zinc/45/20/16/822452016.db2.gz FKAUGPOUBVOSFZ-NEPJUHHUSA-N 1 2 394.338 4.444 20 0 GIADLO Cc1ccc(C[NH2+][C@H](C)c2ncc(Br)s2)c(O[C@@H]2CCOC2)c1 ZINC000179239305 822456124 /nfs/dbraw/zinc/45/61/24/822456124.db2.gz QJKBRQKRWMRNJH-TZMCWYRMSA-N 1 2 397.338 4.233 20 0 GIADLO CSCc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000046341329 822462954 /nfs/dbraw/zinc/46/29/54/822462954.db2.gz APPINMXCNUPOFN-IRXDYDNUSA-N 1 2 384.545 4.411 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc3c(s2)CCCC3)C[C@H](C)O1 ZINC000046341491 822463267 /nfs/dbraw/zinc/46/32/67/822463267.db2.gz YMEMQDURLWXRRU-IYBDPMFKSA-N 1 2 384.545 4.488 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc3c(s2)CCCC3)C[C@H](C)O1 ZINC000046341491 822463270 /nfs/dbraw/zinc/46/32/70/822463270.db2.gz YMEMQDURLWXRRU-IYBDPMFKSA-N 1 2 384.545 4.488 20 0 GIADLO C[C@H]1C[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)CCCO1 ZINC000179393791 822476439 /nfs/dbraw/zinc/47/64/39/822476439.db2.gz NAGCGJWAGSWDJY-HNNXBMFYSA-N 1 2 391.309 4.034 20 0 GIADLO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)CCCO1 ZINC000179393791 822476440 /nfs/dbraw/zinc/47/64/40/822476440.db2.gz NAGCGJWAGSWDJY-HNNXBMFYSA-N 1 2 391.309 4.034 20 0 GIADLO CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000183482044 822482803 /nfs/dbraw/zinc/48/28/03/822482803.db2.gz GHXFDWRBYOIZLN-UHFFFAOYSA-N 1 2 378.423 4.208 20 0 GIADLO OC[C@@H](C1CC1)[N@H+](Cc1csc(COc2ccccc2)n1)Cc1ccccc1 ZINC000179442994 822483674 /nfs/dbraw/zinc/48/36/74/822483674.db2.gz BVQXPRLFDPTKNH-QFIPXVFZSA-N 1 2 394.540 4.495 20 0 GIADLO OC[C@@H](C1CC1)[N@@H+](Cc1csc(COc2ccccc2)n1)Cc1ccccc1 ZINC000179442994 822483677 /nfs/dbraw/zinc/48/36/77/822483677.db2.gz BVQXPRLFDPTKNH-QFIPXVFZSA-N 1 2 394.540 4.495 20 0 GIADLO Cc1cccnc1[C@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C(C)C ZINC000454519283 822490108 /nfs/dbraw/zinc/49/01/08/822490108.db2.gz UBAHLZQPKXSWJH-LJQANCHMSA-N 1 2 397.910 4.426 20 0 GIADLO CCC1(CO)CC[NH+](Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000179504135 822492746 /nfs/dbraw/zinc/49/27/46/822492746.db2.gz HCHGAJULXVJBIQ-UHFFFAOYSA-N 1 2 380.941 4.360 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(SC(F)(F)F)cc1 ZINC000046617416 822493564 /nfs/dbraw/zinc/49/35/64/822493564.db2.gz NWQUOPBLEGBTBI-UHFFFAOYSA-N 1 2 381.423 4.092 20 0 GIADLO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000183597042 822499102 /nfs/dbraw/zinc/49/91/02/822499102.db2.gz CDKZBOSCGHHMJR-PXAZEXFGSA-N 1 2 387.277 4.381 20 0 GIADLO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000183597910 822499366 /nfs/dbraw/zinc/49/93/66/822499366.db2.gz UMQNVCCFKVHKOF-YVEFUNNKSA-N 1 2 387.277 4.381 20 0 GIADLO C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000454580268 822500459 /nfs/dbraw/zinc/50/04/59/822500459.db2.gz OBNKEOBAYJLWDQ-OFQRWUPVSA-N 1 2 380.414 4.306 20 0 GIADLO OC[C@H]([NH2+]Cc1csc(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC000183662443 822507485 /nfs/dbraw/zinc/50/74/85/822507485.db2.gz QOWQNQBHRIKMED-KRWDZBQOSA-N 1 2 389.318 4.396 20 0 GIADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nc(-c3ccc(F)c(F)c3)no2)cc1OC ZINC000179620966 822514382 /nfs/dbraw/zinc/51/43/82/822514382.db2.gz GJYARCUADNLQQZ-GFCCVEGCSA-N 1 2 389.402 4.191 20 0 GIADLO COCCOc1cc(C)ccc1C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183709395 822514909 /nfs/dbraw/zinc/51/49/09/822514909.db2.gz BUKSSFIONWCSFM-HSZRJFAPSA-N 1 2 380.463 4.434 20 0 GIADLO COCCOc1cc(C)ccc1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183709375 822514969 /nfs/dbraw/zinc/51/49/69/822514969.db2.gz BUKSSFIONWCSFM-QHCPKHFHSA-N 1 2 380.463 4.434 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000179640087 822517965 /nfs/dbraw/zinc/51/79/65/822517965.db2.gz DOQIAESFSUYJGI-UHFFFAOYSA-N 1 2 376.460 4.039 20 0 GIADLO O=C(C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)Nc1nncs1 ZINC000183733438 822518394 /nfs/dbraw/zinc/51/83/94/822518394.db2.gz OYJPCUIFSPWGOM-INIZCTEOSA-N 1 2 393.299 4.163 20 0 GIADLO CC(C)c1ccc(N2Cc3ccc(NC(=O)NCCn4cc[nH+]c4)cc3C2)cc1 ZINC000179654210 822521100 /nfs/dbraw/zinc/52/11/00/822521100.db2.gz NMIRRYBKZBCNBJ-UHFFFAOYSA-N 1 2 389.503 4.348 20 0 GIADLO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC000179673064 822524344 /nfs/dbraw/zinc/52/43/44/822524344.db2.gz NIOPZUMKNCXYJN-IBGZPJMESA-N 1 2 399.922 4.473 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)N3CC[NH+]([C@@H](C)c4ccsc4)CC3)c2)no1 ZINC000183764086 822524760 /nfs/dbraw/zinc/52/47/60/822524760.db2.gz SADASJRESMZOQB-AWEZNQCLSA-N 1 2 397.504 4.017 20 0 GIADLO CC(C)(C)C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000046898908 822528319 /nfs/dbraw/zinc/52/83/19/822528319.db2.gz MEDYNMJOUATFEL-LJQANCHMSA-N 1 2 384.499 4.230 20 0 GIADLO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000179696473 822529562 /nfs/dbraw/zinc/52/95/62/822529562.db2.gz HKANXSYAVDGNQU-LJQANCHMSA-N 1 2 398.507 4.290 20 0 GIADLO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000179696473 822529565 /nfs/dbraw/zinc/52/95/65/822529565.db2.gz HKANXSYAVDGNQU-LJQANCHMSA-N 1 2 398.507 4.290 20 0 GIADLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)n1 ZINC000179709069 822532474 /nfs/dbraw/zinc/53/24/74/822532474.db2.gz PHWWPAULTPUUCW-INIZCTEOSA-N 1 2 393.487 4.183 20 0 GIADLO O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943149 822533312 /nfs/dbraw/zinc/53/33/12/822533312.db2.gz KTPMHCBPSLFQBT-JOCHJYFZSA-N 1 2 396.510 4.420 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2cccc(CSC3CCOCC3)c2)c[nH+]1 ZINC000454803770 822537203 /nfs/dbraw/zinc/53/72/03/822537203.db2.gz LXZBHHIZMXXDGA-UHFFFAOYSA-N 1 2 385.533 4.432 20 0 GIADLO OC[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1cccc(Br)c1 ZINC000183893053 822541836 /nfs/dbraw/zinc/54/18/36/822541836.db2.gz ONGXQDSNOWWFOM-QGZVFWFLSA-N 1 2 391.240 4.066 20 0 GIADLO Cc1ccn(-c2ccc(C(=O)Nc3nc(C[NH+]4CCC(C)CC4)cs3)cc2)n1 ZINC000047074171 822542321 /nfs/dbraw/zinc/54/23/21/822542321.db2.gz DXFTWPMPUQAVKI-UHFFFAOYSA-N 1 2 395.532 4.121 20 0 GIADLO COc1c(C)cc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000179771988 822549618 /nfs/dbraw/zinc/54/96/18/822549618.db2.gz QNFRYPRFLMRFKS-ROUUACIJSA-N 1 2 382.504 4.174 20 0 GIADLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000179779773 822551561 /nfs/dbraw/zinc/55/15/61/822551561.db2.gz DDUHRYBQENAGHR-CQSZACIVSA-N 1 2 384.277 4.055 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NCC1CCC(F)(F)CC1 ZINC000454898064 822552920 /nfs/dbraw/zinc/55/29/20/822552920.db2.gz FOFLWSFDCLWTQR-UHFFFAOYSA-N 1 2 382.842 4.150 20 0 GIADLO CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1c[nH+]c2c(C)cccn12 ZINC000179795786 822554561 /nfs/dbraw/zinc/55/45/61/822554561.db2.gz ZTMTULSSIUOZOM-UHFFFAOYSA-N 1 2 391.302 4.410 20 0 GIADLO CC[C@H](C)Sc1ccc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c(C)c1 ZINC000183981056 822557630 /nfs/dbraw/zinc/55/76/30/822557630.db2.gz BJUXCNUFPUFLIH-INIZCTEOSA-N 1 2 399.564 4.338 20 0 GIADLO O=C(Nc1nccs1)C1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000047259949 822559699 /nfs/dbraw/zinc/55/96/99/822559699.db2.gz SERFHLOWHIQPBN-UHFFFAOYSA-N 1 2 390.559 4.179 20 0 GIADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2Cc2ccccc2)on1 ZINC000047273803 822560970 /nfs/dbraw/zinc/56/09/70/822560970.db2.gz PDKIFIAHBIJQLQ-OAQYLSRUSA-N 1 2 375.472 4.349 20 0 GIADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2Cc2ccccc2)on1 ZINC000047273803 822560971 /nfs/dbraw/zinc/56/09/71/822560971.db2.gz PDKIFIAHBIJQLQ-OAQYLSRUSA-N 1 2 375.472 4.349 20 0 GIADLO CN(CCCCc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000047371765 822571646 /nfs/dbraw/zinc/57/16/46/822571646.db2.gz PASPDNLHYMTJND-UHFFFAOYSA-N 1 2 386.565 4.038 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3cccnc3C(F)(F)F)n2)CC1 ZINC000179907072 822574801 /nfs/dbraw/zinc/57/48/01/822574801.db2.gz NUWNNROEPVTXSC-UHFFFAOYSA-N 1 2 384.427 4.041 20 0 GIADLO Cc1csc(-c2ccc(NC(=O)N3CCCN(c4cccc[nH+]4)CC3)cc2)n1 ZINC000184098255 822577931 /nfs/dbraw/zinc/57/79/31/822577931.db2.gz QMPCQMKTNKQHHR-UHFFFAOYSA-N 1 2 393.516 4.258 20 0 GIADLO C[C@H](O[NH+]=C(N)Cc1cccnc1)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000179925577 822578177 /nfs/dbraw/zinc/57/81/77/822578177.db2.gz KEYRUHDDFWMWKP-JTQLQIEISA-N 1 2 392.246 4.031 20 0 GIADLO CCN(C(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21)[C@@H](C)c1ccc(F)cc1 ZINC000179930104 822579138 /nfs/dbraw/zinc/57/91/38/822579138.db2.gz FYQKEXBPPFCWJS-LBPRGKRZSA-N 1 2 394.372 4.199 20 0 GIADLO CC(C)[C@H](NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21)c1ccc(F)cc1 ZINC000179931927 822579288 /nfs/dbraw/zinc/57/92/88/822579288.db2.gz TYSYLAGONJCXAE-KRWDZBQOSA-N 1 2 394.372 4.103 20 0 GIADLO CC(C)(C)[C@H](NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21)c1cccs1 ZINC000179932352 822579540 /nfs/dbraw/zinc/57/95/40/822579540.db2.gz SSGHPQWGEQPENE-MRXNPFEDSA-N 1 2 396.438 4.415 20 0 GIADLO O=C(Nc1ccc(CCC(F)(F)F)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184122037 822581962 /nfs/dbraw/zinc/58/19/62/822581962.db2.gz HXAOARCIVFMKJY-UHFFFAOYSA-N 1 2 392.425 4.321 20 0 GIADLO C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000455100906 822588887 /nfs/dbraw/zinc/58/88/87/822588887.db2.gz BASXRBXYBRZNGO-MGPUTAFESA-N 1 2 395.894 4.213 20 0 GIADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)C1 ZINC000455106258 822589637 /nfs/dbraw/zinc/58/96/37/822589637.db2.gz JSWATSWBPRSWPB-INIZCTEOSA-N 1 2 377.448 4.019 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N(CC(F)F)CC1CCC1 ZINC000455112010 822590497 /nfs/dbraw/zinc/59/04/97/822590497.db2.gz UCGOHHJLKHUJHQ-UHFFFAOYSA-N 1 2 382.842 4.103 20 0 GIADLO CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000047569359 822591596 /nfs/dbraw/zinc/59/15/96/822591596.db2.gz WBXKCHDYKWKWPU-OALUTQOASA-N 1 2 381.520 4.350 20 0 GIADLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1F)c1ccco1 ZINC000184180412 822591785 /nfs/dbraw/zinc/59/17/85/822591785.db2.gz SCLPJMUOXPCKIM-DYVFJYSZSA-N 1 2 382.863 4.403 20 0 GIADLO Cc1ccc(CN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C2CC2)o1 ZINC000047569971 822592099 /nfs/dbraw/zinc/59/20/99/822592099.db2.gz GUFAZSTXNGLAQL-QZTJIDSGSA-N 1 2 397.519 4.394 20 0 GIADLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(-c4cccc(F)c4)o3)ccc2NC1=O ZINC000180004921 822594201 /nfs/dbraw/zinc/59/42/01/822594201.db2.gz SAIFPZKGDRDNBV-UGSOOPFHSA-N 1 2 395.434 4.441 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180008581 822595209 /nfs/dbraw/zinc/59/52/09/822595209.db2.gz GDYNFQKPAKPGDD-HSZRJFAPSA-N 1 2 389.478 4.241 20 0 GIADLO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184200884 822595254 /nfs/dbraw/zinc/59/52/54/822595254.db2.gz CXVDHURLHXGSCL-RDJZCZTQSA-N 1 2 376.522 4.332 20 0 GIADLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21)c1ccco1 ZINC000184206424 822596167 /nfs/dbraw/zinc/59/61/67/822596167.db2.gz CYLHUGJBHBTXDB-JXFKEZNVSA-N 1 2 381.476 4.158 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NCc1ccc(Cl)cc1Cl ZINC000047642205 822598525 /nfs/dbraw/zinc/59/85/25/822598525.db2.gz AYYHAVOHYBHPRA-UHFFFAOYSA-N 1 2 389.286 4.238 20 0 GIADLO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000184235260 822600701 /nfs/dbraw/zinc/60/07/01/822600701.db2.gz DLDYKAWQJUJYEA-MRXNPFEDSA-N 1 2 395.890 4.110 20 0 GIADLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nc(-c4cccc(C)c4)no3)ccc2NC1=O ZINC000180031437 822601066 /nfs/dbraw/zinc/60/10/66/822601066.db2.gz GDAIWXHYBSEQRJ-KSSFIOAISA-N 1 2 392.459 4.005 20 0 GIADLO O=C(NCc1cc(C2CC2)ccc1F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455179302 822602778 /nfs/dbraw/zinc/60/27/78/822602778.db2.gz LUFZUZFXAIPNGE-UHFFFAOYSA-N 1 2 384.499 4.302 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]Cc2cc3c(cc2Br)OCCCO3)n1 ZINC000184266338 822605698 /nfs/dbraw/zinc/60/56/98/822605698.db2.gz CFZZFVICQAUWHK-LLVKDONJSA-N 1 2 383.311 4.226 20 0 GIADLO CCCOc1cc(C)ccc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000047766734 822608107 /nfs/dbraw/zinc/60/81/07/822608107.db2.gz ZZSCCXMWVJBLGF-UHFFFAOYSA-N 1 2 378.476 4.350 20 0 GIADLO COc1ccc2oc([C@@H](C)[NH2+]Cc3nc4oc(C)c(C)c4c(N)n3)c(C)c2c1 ZINC000184322078 822614876 /nfs/dbraw/zinc/61/48/76/822614876.db2.gz CQDIQMBPLUKHMX-GFCCVEGCSA-N 1 2 380.448 4.336 20 0 GIADLO C[C@@]1(Cc2ccccc2)CCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000184367497 822623126 /nfs/dbraw/zinc/62/31/26/822623126.db2.gz UWXBSRGROFHJSZ-DEOSSOPVSA-N 1 2 388.515 4.238 20 0 GIADLO COc1ccc(Br)cc1-c1nc(C[NH+]2CCSCC2)cs1 ZINC000047988426 822624339 /nfs/dbraw/zinc/62/43/39/822624339.db2.gz VAHKJETVOMFWDR-UHFFFAOYSA-N 1 2 385.352 4.130 20 0 GIADLO O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000048049003 822626820 /nfs/dbraw/zinc/62/68/20/822626820.db2.gz AMMHCDUHSGTFOM-HXUWFJFHSA-N 1 2 384.911 4.154 20 0 GIADLO Brc1ccc(-c2nnc(C[NH2+][C@H](c3ccccc3)C3CC3)[nH]2)cc1 ZINC000180188432 822635473 /nfs/dbraw/zinc/63/54/73/822635473.db2.gz LLQYNBHFUYZCPW-GOSISDBHSA-N 1 2 383.293 4.475 20 0 GIADLO Brc1ccc(-c2n[nH]c(C[NH2+][C@H](c3ccccc3)C3CC3)n2)cc1 ZINC000180188432 822635475 /nfs/dbraw/zinc/63/54/75/822635475.db2.gz LLQYNBHFUYZCPW-GOSISDBHSA-N 1 2 383.293 4.475 20 0 GIADLO C[C@@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1nc(C(C)(C)C)cs1 ZINC000184445422 822636298 /nfs/dbraw/zinc/63/62/98/822636298.db2.gz HRGXISYSXVBYCU-CYBMUJFWSA-N 1 2 379.957 4.104 20 0 GIADLO Brc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccncc1)OCCCO2 ZINC000180197573 822637755 /nfs/dbraw/zinc/63/77/55/822637755.db2.gz ISXHYOBNJJTHIK-QGZVFWFLSA-N 1 2 389.293 4.343 20 0 GIADLO Brc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccncc1)OCCCO2 ZINC000180197573 822637757 /nfs/dbraw/zinc/63/77/57/822637757.db2.gz ISXHYOBNJJTHIK-QGZVFWFLSA-N 1 2 389.293 4.343 20 0 GIADLO C[C@H](c1ccncc1)[N@H+](C)Cc1cc2c(cc1Br)OCCCO2 ZINC000180203252 822638846 /nfs/dbraw/zinc/63/88/46/822638846.db2.gz NETYQKMIHPSANT-CYBMUJFWSA-N 1 2 377.282 4.198 20 0 GIADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc2c(cc1Br)OCCCO2 ZINC000180203252 822638848 /nfs/dbraw/zinc/63/88/48/822638848.db2.gz NETYQKMIHPSANT-CYBMUJFWSA-N 1 2 377.282 4.198 20 0 GIADLO Cn1ccnc1C[NH2+][C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000180206670 822639346 /nfs/dbraw/zinc/63/93/46/822639346.db2.gz FJALXWZVFUCWAM-GOSISDBHSA-N 1 2 393.384 4.488 20 0 GIADLO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184463256 822640236 /nfs/dbraw/zinc/64/02/36/822640236.db2.gz XVXHUYAUZVLXLQ-CQSZACIVSA-N 1 2 377.529 4.279 20 0 GIADLO O=S1(=O)CCC[C@H]([NH2+][C@H](c2ccccc2)c2cc(Cl)ccc2Cl)C1 ZINC000184465849 822640758 /nfs/dbraw/zinc/64/07/58/822640758.db2.gz UJSDOTSPOPMGGM-MAUKXSAKSA-N 1 2 384.328 4.250 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184478114 822642736 /nfs/dbraw/zinc/64/27/36/822642736.db2.gz SHYDHSKUWOESRT-STQMWFEESA-N 1 2 388.537 4.077 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184478133 822642746 /nfs/dbraw/zinc/64/27/46/822642746.db2.gz SHYDHSKUWOESRT-QWHCGFSZSA-N 1 2 388.537 4.077 20 0 GIADLO Cc1c([C@H](C)[NH2+]Cc2ccn(-c3ccccc3F)n2)cnn1-c1ccc(F)cc1 ZINC000180249585 822648166 /nfs/dbraw/zinc/64/81/66/822648166.db2.gz RZJOWNOKNUABRJ-HNNXBMFYSA-N 1 2 393.441 4.495 20 0 GIADLO CCc1nc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)sc1C ZINC000184526265 822651110 /nfs/dbraw/zinc/65/11/10/822651110.db2.gz VEHYCNOJIBCHFE-LBPRGKRZSA-N 1 2 386.546 4.427 20 0 GIADLO C[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1nc(-c2ccccc2)cs1 ZINC000184532607 822652372 /nfs/dbraw/zinc/65/23/72/822652372.db2.gz ARISERVWVDSILK-ZDUSSCGKSA-N 1 2 378.453 4.473 20 0 GIADLO Clc1cnccc1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000184533941 822652525 /nfs/dbraw/zinc/65/25/25/822652525.db2.gz HBJANJOTFRGKGL-UHFFFAOYSA-N 1 2 385.924 4.204 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c(C)[nH+]1 ZINC000455474974 822661673 /nfs/dbraw/zinc/66/16/73/822661673.db2.gz DHPUZSIRNAWYPV-CQSZACIVSA-N 1 2 383.427 4.387 20 0 GIADLO CCCCOc1ccc([C@H](C)[NH2+]Cc2nc3oc(C)c(C)c3c(N)n2)cc1OC ZINC000180334820 822665189 /nfs/dbraw/zinc/66/51/89/822665189.db2.gz JIYPSTJYUCFTEQ-AWEZNQCLSA-N 1 2 398.507 4.460 20 0 GIADLO COc1cccc(CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C2CCC(O)CC2)c1 ZINC000455492348 822665219 /nfs/dbraw/zinc/66/52/19/822665219.db2.gz ZMUQJNDVMNTCDM-UHFFFAOYSA-N 1 2 397.519 4.353 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c(C)[nH+]1 ZINC000455504481 822667612 /nfs/dbraw/zinc/66/76/12/822667612.db2.gz WRPXWUJLLINEOW-CYBMUJFWSA-N 1 2 381.402 4.160 20 0 GIADLO Cc1cc(C)c(NC(=O)N(C)CCc2cccc(Br)c2)c(C)[nH+]1 ZINC000455518660 822669716 /nfs/dbraw/zinc/66/97/16/822669716.db2.gz LRBNJAYAUXSKBD-UHFFFAOYSA-N 1 2 376.298 4.476 20 0 GIADLO O=C(C1CC[NH+](Cc2cccc(Cl)c2O)CC1)N(Cc1ccccc1)C1CC1 ZINC000180365164 822670864 /nfs/dbraw/zinc/67/08/64/822670864.db2.gz KTWHRFXRXBNJRW-UHFFFAOYSA-N 1 2 398.934 4.449 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c(C)[nH+]1 ZINC000455535347 822671671 /nfs/dbraw/zinc/67/16/71/822671671.db2.gz VAGTYAXIOLKGTK-HKUYNNGSSA-N 1 2 390.890 4.366 20 0 GIADLO CCN(Cc1ccccc1Br)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455536778 822671900 /nfs/dbraw/zinc/67/19/00/822671900.db2.gz BRSKDHKNXWTFRT-UHFFFAOYSA-N 1 2 376.298 4.193 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)c1ccc(C)o1 ZINC000184672420 822673790 /nfs/dbraw/zinc/67/37/90/822673790.db2.gz IHRXVZLRSXVYQI-XMSQKQJNSA-N 1 2 398.528 4.141 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c[nH+]1 ZINC000455562145 822675023 /nfs/dbraw/zinc/67/50/23/822675023.db2.gz RLACOJZOLFOKNU-UHFFFAOYSA-N 1 2 385.895 4.156 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(C)[C@@H](C)c2ccccc2Br)c[nH+]1 ZINC000455565820 822675502 /nfs/dbraw/zinc/67/55/02/822675502.db2.gz WZFICCFGYCXRLO-AWEZNQCLSA-N 1 2 376.298 4.364 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c[nH+]1 ZINC000455567442 822675746 /nfs/dbraw/zinc/67/57/46/822675746.db2.gz ZAJNSBQMIRUMRI-UHFFFAOYSA-N 1 2 395.482 4.002 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c[nH+]1 ZINC000455575189 822677263 /nfs/dbraw/zinc/67/72/63/822677263.db2.gz RPTMGKWBFAADCU-UHFFFAOYSA-N 1 2 398.454 4.263 20 0 GIADLO c1ccc(-c2ncc(C[NH2+]Cc3nn(-c4ccccc4)c4c3CCC4)cn2)cc1 ZINC000048776678 822682250 /nfs/dbraw/zinc/68/22/50/822682250.db2.gz XSSZELOWJDJOBS-UHFFFAOYSA-N 1 2 381.483 4.108 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1cc2c(cc1Br)OCCO2 ZINC000048786260 822683265 /nfs/dbraw/zinc/68/32/65/822683265.db2.gz YFOLTCHEPQIJCG-SNVBAGLBSA-N 1 2 384.220 4.349 20 0 GIADLO FC(F)(F)c1cc(Br)cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000180457146 822685693 /nfs/dbraw/zinc/68/56/93/822685693.db2.gz INMRVIZUGAGIRX-KBPBESRZSA-N 1 2 396.272 4.174 20 0 GIADLO FC(F)(F)c1cc(Br)cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000180457146 822685696 /nfs/dbraw/zinc/68/56/96/822685696.db2.gz INMRVIZUGAGIRX-KBPBESRZSA-N 1 2 396.272 4.174 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(C)o1 ZINC000184766725 822688287 /nfs/dbraw/zinc/68/82/87/822688287.db2.gz RELVXHTVRSVDNY-OAQYLSRUSA-N 1 2 378.472 4.095 20 0 GIADLO O=C(Nc1ccnc(Oc2ccccc2Cl)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180494734 822691099 /nfs/dbraw/zinc/69/10/99/822691099.db2.gz WWSJUUSBGGHWHU-MRXNPFEDSA-N 1 2 397.866 4.420 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2ccccc2C(F)(F)F)o1 ZINC000184790048 822691326 /nfs/dbraw/zinc/69/13/26/822691326.db2.gz GEGBLNMJAOKOEP-WBMJQRKESA-N 1 2 384.398 4.165 20 0 GIADLO C[C@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1ncc(-c2ccccc2)o1 ZINC000184853249 822700605 /nfs/dbraw/zinc/70/06/05/822700605.db2.gz KFSCPMXLHMSTTE-SJORKVTESA-N 1 2 375.472 4.360 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)NCc1ccc(Cl)cc1 ZINC000184856755 822701429 /nfs/dbraw/zinc/70/14/29/822701429.db2.gz SCZIRCXAMQPRBS-HUUCEWRRSA-N 1 2 383.879 4.351 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ncc(-c2ccccc2)o1 ZINC000184865251 822702998 /nfs/dbraw/zinc/70/29/98/822702998.db2.gz JFUVCWDQTLONJW-ZDUSSCGKSA-N 1 2 392.427 4.189 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180603256 822709780 /nfs/dbraw/zinc/70/97/80/822709780.db2.gz GZWHZDBRLDUCTQ-CYBMUJFWSA-N 1 2 380.423 4.189 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184898650 822709919 /nfs/dbraw/zinc/70/99/19/822709919.db2.gz HPXGVAYZMRMCKA-CABCVRRESA-N 1 2 395.459 4.037 20 0 GIADLO CCOc1ccc(Cl)c(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000455754702 822720120 /nfs/dbraw/zinc/72/01/20/822720120.db2.gz AQTGZCMBGNKGML-UHFFFAOYSA-N 1 2 377.872 4.423 20 0 GIADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O ZINC000184980442 822721219 /nfs/dbraw/zinc/72/12/19/822721219.db2.gz NVIDSOGIISDKOB-VLIAUNLRSA-N 1 2 383.442 4.420 20 0 GIADLO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccc(F)c(F)c2)c2ccccc2c1=O ZINC000184980442 822721220 /nfs/dbraw/zinc/72/12/20/822721220.db2.gz NVIDSOGIISDKOB-VLIAUNLRSA-N 1 2 383.442 4.420 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)s1 ZINC000184987234 822722166 /nfs/dbraw/zinc/72/21/66/822722166.db2.gz LNVGACOGLGYHGN-HZPDHXFCSA-N 1 2 393.512 4.360 20 0 GIADLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)s1 ZINC000184987254 822722174 /nfs/dbraw/zinc/72/21/74/822722174.db2.gz LNVGACOGLGYHGN-CVEARBPZSA-N 1 2 393.512 4.360 20 0 GIADLO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000050273877 822723329 /nfs/dbraw/zinc/72/33/29/822723329.db2.gz JPTMFSVNUQVUCT-GFCCVEGCSA-N 1 2 384.892 4.151 20 0 GIADLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000050273877 822723330 /nfs/dbraw/zinc/72/33/30/822723330.db2.gz JPTMFSVNUQVUCT-GFCCVEGCSA-N 1 2 384.892 4.151 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(CCc2ccccc2)Cc2ccccc2)s1 ZINC000185024612 822726489 /nfs/dbraw/zinc/72/64/89/822726489.db2.gz AABXIKCQEMSRPJ-LJQANCHMSA-N 1 2 393.556 4.374 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2ccccc2SCc2cc(C)no2)c1C ZINC000050448736 822729688 /nfs/dbraw/zinc/72/96/88/822729688.db2.gz CKULZFKCTHNVLG-UHFFFAOYSA-N 1 2 397.500 4.226 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1nccs1 ZINC000185089372 822735473 /nfs/dbraw/zinc/73/54/73/822735473.db2.gz CULCMJRZOWHIDN-KRWDZBQOSA-N 1 2 394.500 4.075 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3scnc3C(C)C)CC2)c1 ZINC000455846871 822736172 /nfs/dbraw/zinc/73/61/72/822736172.db2.gz NYIQPVFHDWFXLL-OAHLLOKOSA-N 1 2 388.537 4.186 20 0 GIADLO CCC(CC)(C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(OC)c(OC)c1 ZINC000185124701 822740161 /nfs/dbraw/zinc/74/01/61/822740161.db2.gz YDEWDICXOTWTSX-PKOBYXMFSA-N 1 2 399.535 4.068 20 0 GIADLO Cc1nc(NC(=O)NCc2cn3c([nH+]2)CCCC3)sc1Cc1cccc(F)c1 ZINC000455895828 822744110 /nfs/dbraw/zinc/74/41/10/822744110.db2.gz PKMAHKAZJVXJHV-UHFFFAOYSA-N 1 2 399.495 4.036 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(C(F)F)cc3)cn2c1 ZINC000185178593 822745998 /nfs/dbraw/zinc/74/59/98/822745998.db2.gz QOLCOYGOJVHITJ-UHFFFAOYSA-N 1 2 375.444 4.130 20 0 GIADLO O=C(Nc1cc(F)ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccoc1 ZINC000051082979 822746096 /nfs/dbraw/zinc/74/60/96/822746096.db2.gz REDWGPDQGBUNMP-UHFFFAOYSA-N 1 2 390.374 4.109 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1C ZINC000051133553 822747683 /nfs/dbraw/zinc/74/76/83/822747683.db2.gz LTWXPGNFOQKQSQ-WMZHIEFXSA-N 1 2 382.504 4.117 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1C ZINC000051133553 822747686 /nfs/dbraw/zinc/74/76/86/822747686.db2.gz LTWXPGNFOQKQSQ-WMZHIEFXSA-N 1 2 382.504 4.117 20 0 GIADLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(-c2ccccc2)o1 ZINC000185213124 822749958 /nfs/dbraw/zinc/74/99/58/822749958.db2.gz MTSAYYNPOWJUBS-AZUAARDMSA-N 1 2 397.425 4.103 20 0 GIADLO Cc1nc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(-c2ccccc2)o1 ZINC000185213124 822749960 /nfs/dbraw/zinc/74/99/60/822749960.db2.gz MTSAYYNPOWJUBS-AZUAARDMSA-N 1 2 397.425 4.103 20 0 GIADLO Cc1ccc(C[C@H]2CCCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000051278161 822753808 /nfs/dbraw/zinc/75/38/08/822753808.db2.gz WBRZEXCDVYISFH-OAQYLSRUSA-N 1 2 392.547 4.023 20 0 GIADLO C[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1nc(C2CCCCC2)no1 ZINC000185252500 822754813 /nfs/dbraw/zinc/75/48/13/822754813.db2.gz HYVGEOCWXKMUKD-ZDUSSCGKSA-N 1 2 376.888 4.450 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1C ZINC000051334579 822756679 /nfs/dbraw/zinc/75/66/79/822756679.db2.gz ZVEGZIARXIQFEY-SIKLNZKXSA-N 1 2 397.519 4.016 20 0 GIADLO CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000051428328 822759599 /nfs/dbraw/zinc/75/95/99/822759599.db2.gz AXDSWODENVKABP-LJQANCHMSA-N 1 2 395.528 4.148 20 0 GIADLO CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000051428328 822759600 /nfs/dbraw/zinc/75/96/00/822759600.db2.gz AXDSWODENVKABP-LJQANCHMSA-N 1 2 395.528 4.148 20 0 GIADLO CCn1cc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c2ccccc21 ZINC000174281027 822762383 /nfs/dbraw/zinc/76/23/83/822762383.db2.gz JLRFWLXWQQHYSV-UHFFFAOYSA-N 1 2 390.531 4.126 20 0 GIADLO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1nc(-c2cccnc2)no1 ZINC000185317419 822764845 /nfs/dbraw/zinc/76/48/45/822764845.db2.gz VADONZMYHSIBLY-MRXNPFEDSA-N 1 2 387.827 4.180 20 0 GIADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000174318892 822770273 /nfs/dbraw/zinc/77/02/73/822770273.db2.gz OGECHFWYMUWJHL-HNNXBMFYSA-N 1 2 392.425 4.097 20 0 GIADLO CCc1nc(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)sc1C ZINC000174337657 822774124 /nfs/dbraw/zinc/77/41/24/822774124.db2.gz JDJQYCWPZUVFDM-UHFFFAOYSA-N 1 2 387.553 4.179 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(Cc2ccco2)Cc2ccccc2)c1C ZINC000051755444 822777688 /nfs/dbraw/zinc/77/76/88/822777688.db2.gz UFSNLDGREDFPMS-UHFFFAOYSA-N 1 2 379.460 4.212 20 0 GIADLO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000185436824 822783643 /nfs/dbraw/zinc/78/36/43/822783643.db2.gz PXHRYECLCZSDMH-LJQANCHMSA-N 1 2 392.503 4.198 20 0 GIADLO C[C@H]1C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](c2ccccc2)CO1 ZINC000174456582 822792536 /nfs/dbraw/zinc/79/25/36/822792536.db2.gz CVXYCPHSYHQZPW-CVDCTZTESA-N 1 2 378.516 4.275 20 0 GIADLO C[C@H]1C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](c2ccccc2)CO1 ZINC000174456582 822792538 /nfs/dbraw/zinc/79/25/38/822792538.db2.gz CVXYCPHSYHQZPW-CVDCTZTESA-N 1 2 378.516 4.275 20 0 GIADLO CCO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cs1 ZINC000185629292 822804084 /nfs/dbraw/zinc/80/40/84/822804084.db2.gz GYKMGSRFGQBNNZ-GWCFXTLKSA-N 1 2 390.475 4.467 20 0 GIADLO NC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)c1 ZINC000185632923 822804603 /nfs/dbraw/zinc/80/46/03/822804603.db2.gz MZVZBDXKXCCFHG-KRWDZBQOSA-N 1 2 377.257 4.024 20 0 GIADLO NC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)c1 ZINC000185632923 822804606 /nfs/dbraw/zinc/80/46/06/822804606.db2.gz MZVZBDXKXCCFHG-KRWDZBQOSA-N 1 2 377.257 4.024 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)cc1OC ZINC000052661411 822806699 /nfs/dbraw/zinc/80/66/99/822806699.db2.gz JKGKDWBWFSWHKQ-BTYIYWSLSA-N 1 2 380.444 4.003 20 0 GIADLO COC(=O)COc1ccc([C@H](C)[NH2+][C@H](C)c2nc(-c3ccccc3C)no2)cc1 ZINC000185653929 822807256 /nfs/dbraw/zinc/80/72/56/822807256.db2.gz YQUOZFBAVKWUGO-JKSUJKDBSA-N 1 2 395.459 4.009 20 0 GIADLO C[N@H+](Cc1ncc(-c2cccc(Cl)c2)o1)Cc1ccccc1N1CCOCC1 ZINC000052686756 822807358 /nfs/dbraw/zinc/80/73/58/822807358.db2.gz LSDIYPVZXGDDKA-UHFFFAOYSA-N 1 2 397.906 4.464 20 0 GIADLO C[N@@H+](Cc1ncc(-c2cccc(Cl)c2)o1)Cc1ccccc1N1CCOCC1 ZINC000052686756 822807362 /nfs/dbraw/zinc/80/73/62/822807362.db2.gz LSDIYPVZXGDDKA-UHFFFAOYSA-N 1 2 397.906 4.464 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1O ZINC000174632425 822815100 /nfs/dbraw/zinc/81/51/00/822815100.db2.gz QBENNEZJYWQOBU-LBPRGKRZSA-N 1 2 397.302 4.017 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1O ZINC000174632425 822815103 /nfs/dbraw/zinc/81/51/03/822815103.db2.gz QBENNEZJYWQOBU-LBPRGKRZSA-N 1 2 397.302 4.017 20 0 GIADLO O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000185769189 822819567 /nfs/dbraw/zinc/81/95/67/822819567.db2.gz WJFGXYOMHRLQRT-HSZRJFAPSA-N 1 2 383.451 4.003 20 0 GIADLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(Cl)cc1Br)n2C ZINC000185841024 822826426 /nfs/dbraw/zinc/82/64/26/822826426.db2.gz ISYRNKQMFJEOQB-UHFFFAOYSA-N 1 2 394.700 4.288 20 0 GIADLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1sc2ccccc2c1Cl ZINC000053266614 822828380 /nfs/dbraw/zinc/82/83/80/822828380.db2.gz TVIRMOXZEBEXCH-UHFFFAOYSA-N 1 2 376.934 4.404 20 0 GIADLO O=C(NCC[N@H+]1CCc2sccc2C1)c1sc2ccccc2c1Cl ZINC000053266614 822828382 /nfs/dbraw/zinc/82/83/82/822828382.db2.gz TVIRMOXZEBEXCH-UHFFFAOYSA-N 1 2 376.934 4.404 20 0 GIADLO COc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1Br ZINC000185869633 822828765 /nfs/dbraw/zinc/82/87/65/822828765.db2.gz ZQRHLAPBIDMVFL-UHFFFAOYSA-N 1 2 384.277 4.205 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1ccccc1Cl)Nc1cccc(C(=O)NC2CC2)c1 ZINC000053278749 822828952 /nfs/dbraw/zinc/82/89/52/822828952.db2.gz PPNXCEVYXKZAOA-FQEVSTJZSA-N 1 2 397.906 4.008 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1Cl)Nc1cccc(C(=O)NC2CC2)c1 ZINC000053278749 822828954 /nfs/dbraw/zinc/82/89/54/822828954.db2.gz PPNXCEVYXKZAOA-FQEVSTJZSA-N 1 2 397.906 4.008 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)c1c2c(nc3ccccc31)/C(=C\c1ccccc1)CC2 ZINC000174754241 822832780 /nfs/dbraw/zinc/83/27/80/822832780.db2.gz DMCFRYUHSCQIRB-VLGSPTGOSA-N 1 2 394.478 4.417 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)c1oc2ccccc2c1CSc1cccs1 ZINC000174762045 822833767 /nfs/dbraw/zinc/83/37/67/822833767.db2.gz WURXEIAELVVMLB-UHFFFAOYSA-N 1 2 383.498 4.482 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)c1c(Cl)cccc1Oc1ccccc1Cl ZINC000174766134 822834279 /nfs/dbraw/zinc/83/42/79/822834279.db2.gz NNSQPELEGCLYJQ-UHFFFAOYSA-N 1 2 376.243 4.481 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000185930391 822834647 /nfs/dbraw/zinc/83/46/47/822834647.db2.gz AEPJBAYCGBMCHF-NSHDSACASA-N 1 2 379.354 4.120 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000456824312 822835459 /nfs/dbraw/zinc/83/54/59/822835459.db2.gz MMFVTFJTNSGOMA-UHFFFAOYSA-N 1 2 395.453 4.305 20 0 GIADLO CC[C@H]([NH2+]Cc1ccc(C(=O)OC)cc1F)c1nc(C(F)(F)F)cs1 ZINC000185959009 822837492 /nfs/dbraw/zinc/83/74/92/822837492.db2.gz UICVEBJSUJJWTA-LBPRGKRZSA-N 1 2 376.375 4.329 20 0 GIADLO CC[C@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1nc(C(F)(F)F)cs1 ZINC000185963926 822838336 /nfs/dbraw/zinc/83/83/36/822838336.db2.gz VILXZQLQCJBGHW-LBPRGKRZSA-N 1 2 376.375 4.408 20 0 GIADLO Cc1cc(C)c(CNC(=O)[C@@H](C)Sc2ccc(Br)cc2)c[nH+]1 ZINC000456858417 822838732 /nfs/dbraw/zinc/83/87/32/822838732.db2.gz LMXWCJOCSIICKA-CYBMUJFWSA-N 1 2 379.323 4.258 20 0 GIADLO CCOc1cc(C(=O)NCc2c[nH+]c(C)cc2C)ccc1OCc1cccnc1 ZINC000456869840 822839296 /nfs/dbraw/zinc/83/92/96/822839296.db2.gz YNRYDOCIRAPXBO-UHFFFAOYSA-N 1 2 391.471 4.001 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(C)=O)c1nc(C(F)(F)F)cs1 ZINC000185978994 822840350 /nfs/dbraw/zinc/84/03/50/822840350.db2.gz QRQOHHSJFSEEMZ-GXFFZTMASA-N 1 2 399.438 4.432 20 0 GIADLO CC[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000174845102 822845509 /nfs/dbraw/zinc/84/55/09/822845509.db2.gz IWWWHBNVRFQXBN-SWLSCSKDSA-N 1 2 397.466 4.176 20 0 GIADLO CC[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000174845102 822845511 /nfs/dbraw/zinc/84/55/11/822845511.db2.gz IWWWHBNVRFQXBN-SWLSCSKDSA-N 1 2 397.466 4.176 20 0 GIADLO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c(OC)cc1Cl ZINC000053718288 822845897 /nfs/dbraw/zinc/84/58/97/822845897.db2.gz DLUUBJWJHNBBNQ-KRWDZBQOSA-N 1 2 392.858 4.272 20 0 GIADLO COc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)c(OC)cc1Cl ZINC000053718288 822845901 /nfs/dbraw/zinc/84/59/01/822845901.db2.gz DLUUBJWJHNBBNQ-KRWDZBQOSA-N 1 2 392.858 4.272 20 0 GIADLO CC[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1nc(C(F)(F)F)cs1 ZINC000174856723 822847316 /nfs/dbraw/zinc/84/73/16/822847316.db2.gz ZBDDELVRKIMACF-CYBMUJFWSA-N 1 2 380.395 4.229 20 0 GIADLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(OCc2nccn2C)cc1 ZINC000186057482 822847918 /nfs/dbraw/zinc/84/79/18/822847918.db2.gz QGSXKUYDXUMLAX-SFHVURJKSA-N 1 2 399.498 4.307 20 0 GIADLO CCc1ccccc1NC(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000053780793 822847908 /nfs/dbraw/zinc/84/79/08/822847908.db2.gz IBZARIHNGDCVBX-QHCPKHFHSA-N 1 2 387.483 4.157 20 0 GIADLO COCCOc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1OC ZINC000186062531 822848438 /nfs/dbraw/zinc/84/84/38/822848438.db2.gz HLENVOINEFHQNY-QGZVFWFLSA-N 1 2 393.487 4.028 20 0 GIADLO C[C@H]1CCN(C(=O)CCCc2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000186096076 822851262 /nfs/dbraw/zinc/85/12/62/822851262.db2.gz RZSGZPXEFHMNTC-YJBOKZPZSA-N 1 2 379.426 4.334 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1c[nH]c2c1cccc2C ZINC000174896147 822852136 /nfs/dbraw/zinc/85/21/36/822852136.db2.gz AMPLWLWXWIZGPE-UHFFFAOYSA-N 1 2 390.531 4.179 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc2ccccc2nc1C ZINC000174900062 822852693 /nfs/dbraw/zinc/85/26/93/822852693.db2.gz MOKQTEXTZWXADR-UHFFFAOYSA-N 1 2 388.515 4.317 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccccc1C(F)(F)F ZINC000174913597 822854884 /nfs/dbraw/zinc/85/48/84/822854884.db2.gz NVIXXIVEPQKRFN-UHFFFAOYSA-N 1 2 391.437 4.479 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000174917565 822855769 /nfs/dbraw/zinc/85/57/69/822855769.db2.gz WUIVTEIHXNUKAW-UHFFFAOYSA-N 1 2 395.551 4.226 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncnc3cccc(F)c32)CC1 ZINC000054044037 822860548 /nfs/dbraw/zinc/86/05/48/822860548.db2.gz CFWWPGAIMRAQHC-AWEZNQCLSA-N 1 2 393.491 4.262 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(F)c(Br)c1 ZINC000054152798 822864548 /nfs/dbraw/zinc/86/45/48/822864548.db2.gz XOPMHQLUUBQUHV-UHFFFAOYSA-N 1 2 385.664 4.312 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(F)c(Br)c1 ZINC000054152798 822864550 /nfs/dbraw/zinc/86/45/50/822864550.db2.gz XOPMHQLUUBQUHV-UHFFFAOYSA-N 1 2 385.664 4.312 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC(C)(C)c1ccccc1 ZINC000174997587 822865413 /nfs/dbraw/zinc/86/54/13/822865413.db2.gz WUKNHASOQFTKPO-UHFFFAOYSA-N 1 2 394.563 4.307 20 0 GIADLO CC(=O)Nc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ccc1C ZINC000175005567 822866212 /nfs/dbraw/zinc/86/62/12/822866212.db2.gz JZHWBJJDEGBDTH-NRFANRHFSA-N 1 2 383.467 4.086 20 0 GIADLO CC(=O)Nc1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ccc1C ZINC000175005567 822866214 /nfs/dbraw/zinc/86/62/14/822866214.db2.gz JZHWBJJDEGBDTH-NRFANRHFSA-N 1 2 383.467 4.086 20 0 GIADLO CC(C)c1cccc(OCc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000568969595 822866354 /nfs/dbraw/zinc/86/63/54/822866354.db2.gz OSVHDEPHPGMKIQ-UHFFFAOYSA-N 1 2 393.487 4.271 20 0 GIADLO CC(C)c1nc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cs1 ZINC000186274498 822868468 /nfs/dbraw/zinc/86/84/68/822868468.db2.gz AMAMFWQGJGLPMC-HNNXBMFYSA-N 1 2 395.594 4.146 20 0 GIADLO CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cs1 ZINC000186274483 822868535 /nfs/dbraw/zinc/86/85/35/822868535.db2.gz AMAMFWQGJGLPMC-OAHLLOKOSA-N 1 2 395.594 4.146 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000186294370 822872362 /nfs/dbraw/zinc/87/23/62/822872362.db2.gz NLLAMGRHPRZOMR-IBGZPJMESA-N 1 2 383.879 4.129 20 0 GIADLO COc1ccc(CCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1F ZINC000054277589 822872660 /nfs/dbraw/zinc/87/26/60/822872660.db2.gz QRASCTVKUQYXKX-AWEZNQCLSA-N 1 2 391.512 4.094 20 0 GIADLO COc1ccc(CCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1F ZINC000054277589 822872662 /nfs/dbraw/zinc/87/26/62/822872662.db2.gz QRASCTVKUQYXKX-AWEZNQCLSA-N 1 2 391.512 4.094 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1[nH]ccc1C1CC1 ZINC000457400756 822872914 /nfs/dbraw/zinc/87/29/14/822872914.db2.gz ZWVTXGGBPGUTHW-UHFFFAOYSA-N 1 2 378.501 4.159 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1[nH]ccc1C1CC1 ZINC000457400756 822872917 /nfs/dbraw/zinc/87/29/17/822872917.db2.gz ZWVTXGGBPGUTHW-UHFFFAOYSA-N 1 2 378.501 4.159 20 0 GIADLO Cc1cc(Br)c(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)s1 ZINC000457436057 822875056 /nfs/dbraw/zinc/87/50/56/822875056.db2.gz HWKROABPEOJJDH-SNVBAGLBSA-N 1 2 399.379 4.057 20 0 GIADLO Cc1cc(Br)c(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)s1 ZINC000457436057 822875059 /nfs/dbraw/zinc/87/50/59/822875059.db2.gz HWKROABPEOJJDH-SNVBAGLBSA-N 1 2 399.379 4.057 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000186325329 822876425 /nfs/dbraw/zinc/87/64/25/822876425.db2.gz PIXOOARFBFQWOO-LJQANCHMSA-N 1 2 383.879 4.129 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C(=O)Nc1ccccc1)c1ccccc1)C2 ZINC000054391746 822881509 /nfs/dbraw/zinc/88/15/09/822881509.db2.gz ATFYKLIMOPPVRY-XMMPIXPASA-N 1 2 399.494 4.383 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C(=O)Nc1ccccc1)c1ccccc1)C2 ZINC000054391746 822881514 /nfs/dbraw/zinc/88/15/14/822881514.db2.gz ATFYKLIMOPPVRY-XMMPIXPASA-N 1 2 399.494 4.383 20 0 GIADLO CCC(C)(C)OCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000457520306 822884952 /nfs/dbraw/zinc/88/49/52/822884952.db2.gz FQUPZVVCQOBACL-UHFFFAOYSA-N 1 2 391.515 4.420 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000186422672 822892227 /nfs/dbraw/zinc/89/22/27/822892227.db2.gz ZDOPNVSXYOABBX-CYBMUJFWSA-N 1 2 392.381 4.133 20 0 GIADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000175162706 822895615 /nfs/dbraw/zinc/89/56/15/822895615.db2.gz BTFLMPWJBPEZSA-FQEVSTJZSA-N 1 2 375.472 4.126 20 0 GIADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000175162706 822895617 /nfs/dbraw/zinc/89/56/17/822895617.db2.gz BTFLMPWJBPEZSA-FQEVSTJZSA-N 1 2 375.472 4.126 20 0 GIADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2cccs2)n1)c1ccccc1 ZINC000175164543 822895868 /nfs/dbraw/zinc/89/58/68/822895868.db2.gz NCODBZXQLHCVSB-SFHVURJKSA-N 1 2 381.501 4.188 20 0 GIADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1coc(-c2cccs2)n1)c1ccccc1 ZINC000175164543 822895873 /nfs/dbraw/zinc/89/58/73/822895873.db2.gz NCODBZXQLHCVSB-SFHVURJKSA-N 1 2 381.501 4.188 20 0 GIADLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)cn1 ZINC000569247331 822896429 /nfs/dbraw/zinc/89/64/29/822896429.db2.gz KELFSSNHBIVZNS-QGZVFWFLSA-N 1 2 390.965 4.487 20 0 GIADLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cnc(-c3ccc(Cl)cc3)s2)cn1 ZINC000569247331 822896432 /nfs/dbraw/zinc/89/64/32/822896432.db2.gz KELFSSNHBIVZNS-QGZVFWFLSA-N 1 2 390.965 4.487 20 0 GIADLO CN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000457612320 822897248 /nfs/dbraw/zinc/89/72/48/822897248.db2.gz VOBBXQAKSYZEGD-NHCUHLMSSA-N 1 2 378.520 4.160 20 0 GIADLO Cc1nocc1CSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000569259455 822897795 /nfs/dbraw/zinc/89/77/95/822897795.db2.gz AQTADSMJTUSQGJ-MRXNPFEDSA-N 1 2 383.521 4.403 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457691744 822907451 /nfs/dbraw/zinc/90/74/51/822907451.db2.gz ALQOPXKLHQACKI-PKOBYXMFSA-N 1 2 375.875 4.250 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457691744 822907456 /nfs/dbraw/zinc/90/74/56/822907456.db2.gz ALQOPXKLHQACKI-PKOBYXMFSA-N 1 2 375.875 4.250 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)cs1)c1ccc(C)cc1 ZINC000569325344 822907701 /nfs/dbraw/zinc/90/77/01/822907701.db2.gz RSCNHCBHUXMDHD-LJQANCHMSA-N 1 2 385.533 4.016 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)cs1)c1ccc(C)cc1 ZINC000569325344 822907707 /nfs/dbraw/zinc/90/77/07/822907707.db2.gz RSCNHCBHUXMDHD-LJQANCHMSA-N 1 2 385.533 4.016 20 0 GIADLO C[C@H](CC(=O)Nc1nc(-c2ccc(Br)cc2)cs1)n1cc[nH+]c1 ZINC000569325108 822907863 /nfs/dbraw/zinc/90/78/63/822907863.db2.gz QSFKPHCXJWSXDD-LLVKDONJSA-N 1 2 391.294 4.359 20 0 GIADLO C[C@H]1CC[C@@](C)(C(=O)N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)C1(C)C ZINC000457719001 822910404 /nfs/dbraw/zinc/91/04/04/822910404.db2.gz AYRSJSCSMDWZJN-FIKGOQFSSA-N 1 2 389.609 4.418 20 0 GIADLO C[C@H]1CC[C@@](C)(C(=O)N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)C1(C)C ZINC000457719001 822910405 /nfs/dbraw/zinc/91/04/05/822910405.db2.gz AYRSJSCSMDWZJN-FIKGOQFSSA-N 1 2 389.609 4.418 20 0 GIADLO COc1ccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)c(OCC2CC2)c1 ZINC000569408194 822918101 /nfs/dbraw/zinc/91/81/01/822918101.db2.gz AUGXZFBZMWGCLT-UHFFFAOYSA-N 1 2 390.443 4.081 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000457783870 822919049 /nfs/dbraw/zinc/91/90/49/822919049.db2.gz CFRUDBVSKCJUKS-IBGZPJMESA-N 1 2 386.927 4.352 20 0 GIADLO Cc1cc(F)cc([C@@]2(F)CCN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)C2)c1 ZINC000569415915 822919619 /nfs/dbraw/zinc/91/96/19/822919619.db2.gz BTTVNCYNDJEWDO-HSZRJFAPSA-N 1 2 395.453 4.019 20 0 GIADLO C[C@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccc(F)c(F)c1 ZINC000175267915 822919790 /nfs/dbraw/zinc/91/97/90/822919790.db2.gz ORDXWLOFNAJIQO-ZDUSSCGKSA-N 1 2 387.455 4.202 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000054886804 822920119 /nfs/dbraw/zinc/92/01/19/822920119.db2.gz WTUCELXCRAGFQI-MRXNPFEDSA-N 1 2 391.471 4.401 20 0 GIADLO CO[C@@H](C)c1nc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)cs1 ZINC000175272775 822921372 /nfs/dbraw/zinc/92/13/72/822921372.db2.gz BUVMSWHATKXGFR-CABCVRRESA-N 1 2 379.957 4.383 20 0 GIADLO CO[C@@H](C)c1nc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)cs1 ZINC000175272760 822921486 /nfs/dbraw/zinc/92/14/86/822921486.db2.gz BUVMSWHATKXGFR-GJZGRUSLSA-N 1 2 379.957 4.383 20 0 GIADLO CC(C)(C)OC(=O)CN(Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1 ZINC000569432260 822922184 /nfs/dbraw/zinc/92/21/84/822922184.db2.gz FZHMZIQSLDLQRD-UHFFFAOYSA-N 1 2 377.488 4.280 20 0 GIADLO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cnn(Cc2ccccc2)c1 ZINC000186635556 822927248 /nfs/dbraw/zinc/92/72/48/822927248.db2.gz PGRWNSVFABFANL-GAJHUEQPSA-N 1 2 389.478 4.244 20 0 GIADLO C[C@@H](CC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)n1cc[nH+]c1 ZINC000569490237 822929056 /nfs/dbraw/zinc/92/90/56/822929056.db2.gz WAIMLQGWOPEKBO-BBRMVZONSA-N 1 2 384.480 4.291 20 0 GIADLO Cc1ccc([C@@H](OC[C@H](O)C[N@@H+](C)Cc2nccs2)c2ccccc2)cc1 ZINC000175301981 822929427 /nfs/dbraw/zinc/92/94/27/822929427.db2.gz VNQVFWQOVPYTHB-IRLDBZIGSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1ccc([C@@H](OC[C@H](O)C[N@H+](C)Cc2nccs2)c2ccccc2)cc1 ZINC000175301981 822929431 /nfs/dbraw/zinc/92/94/31/822929431.db2.gz VNQVFWQOVPYTHB-IRLDBZIGSA-N 1 2 382.529 4.050 20 0 GIADLO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)CCO2 ZINC000186691970 822938276 /nfs/dbraw/zinc/93/82/76/822938276.db2.gz ONBXWSQYRCLBPF-GWCFXTLKSA-N 1 2 383.311 4.479 20 0 GIADLO O=C(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccc(Cl)c(Cl)c1 ZINC000186700520 822940268 /nfs/dbraw/zinc/94/02/68/822940268.db2.gz MXWBQRUOGNTKFS-LJQANCHMSA-N 1 2 377.271 4.063 20 0 GIADLO O=C(C[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccc(Cl)c(Cl)c1 ZINC000186700520 822940273 /nfs/dbraw/zinc/94/02/73/822940273.db2.gz MXWBQRUOGNTKFS-LJQANCHMSA-N 1 2 377.271 4.063 20 0 GIADLO Cn1ncc(Cl)c1CN(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000569581391 822941899 /nfs/dbraw/zinc/94/18/99/822941899.db2.gz JXNOVGBJTRCDTK-UHFFFAOYSA-N 1 2 396.297 4.155 20 0 GIADLO CC(C)Oc1ccc(Cl)cc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000055158616 822942484 /nfs/dbraw/zinc/94/24/84/822942484.db2.gz HHXGMIIIFSSXFA-UHFFFAOYSA-N 1 2 383.879 4.302 20 0 GIADLO CC[C@H](Cc1ccccc1)N(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175359461 822945484 /nfs/dbraw/zinc/94/54/84/822945484.db2.gz HAAPHDAHXMMWFO-JOCHJYFZSA-N 1 2 390.531 4.137 20 0 GIADLO C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175364429 822947294 /nfs/dbraw/zinc/94/72/94/822947294.db2.gz PEFFGVCKWONLTI-AOMKIAJQSA-N 1 2 392.478 4.193 20 0 GIADLO O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186736378 822947604 /nfs/dbraw/zinc/94/76/04/822947604.db2.gz SJIHURICPNAMOM-UHFFFAOYSA-N 1 2 386.377 4.003 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(Cl)nc1Cl ZINC000175415726 822963869 /nfs/dbraw/zinc/96/38/69/822963869.db2.gz YTLWXKAEOAZUQA-UHFFFAOYSA-N 1 2 393.318 4.162 20 0 GIADLO Cc1ccccc1-c1cnc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000569782686 822968299 /nfs/dbraw/zinc/96/82/99/822968299.db2.gz GWXBPRCWYOMQPL-XMSQKQJNSA-N 1 2 395.890 4.365 20 0 GIADLO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000175444723 822970371 /nfs/dbraw/zinc/97/03/71/822970371.db2.gz ZEYJBPOVORJEKG-UHFFFAOYSA-N 1 2 388.295 4.440 20 0 GIADLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC[C@@H]1O ZINC000186907552 822977999 /nfs/dbraw/zinc/97/79/99/822977999.db2.gz WWDZWZJUHRFOBG-KSSFIOAISA-N 1 2 390.936 4.132 20 0 GIADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC[C@@H]1O ZINC000186907552 822978001 /nfs/dbraw/zinc/97/80/01/822978001.db2.gz WWDZWZJUHRFOBG-KSSFIOAISA-N 1 2 390.936 4.132 20 0 GIADLO CCc1c(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cnn1C(CC)CC ZINC000569878210 822979748 /nfs/dbraw/zinc/97/97/48/822979748.db2.gz YXJMIIBHWINZCA-UHFFFAOYSA-N 1 2 389.569 4.218 20 0 GIADLO Cc1cccc2c1C[C@H](c1nc([C@H]3C[N@H+](Cc4ccccc4)[C@@H](C)CO3)no1)O2 ZINC000569900872 822983262 /nfs/dbraw/zinc/98/32/62/822983262.db2.gz DRAGBMQJQOBZDO-ZLGUVYLKSA-N 1 2 391.471 4.016 20 0 GIADLO Cc1cccc2c1C[C@H](c1nc([C@H]3C[N@@H+](Cc4ccccc4)[C@@H](C)CO3)no1)O2 ZINC000569900872 822983265 /nfs/dbraw/zinc/98/32/65/822983265.db2.gz DRAGBMQJQOBZDO-ZLGUVYLKSA-N 1 2 391.471 4.016 20 0 GIADLO Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000186952528 822985965 /nfs/dbraw/zinc/98/59/65/822985965.db2.gz QKVYBTWNZKXGGY-KUHUBIRLSA-N 1 2 381.505 4.245 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2CCC(C)(CO)CC2)cs1)c1ccc(C)cc1C ZINC000186976448 822990702 /nfs/dbraw/zinc/99/07/02/822990702.db2.gz HEMKMDYZSYCKIS-UHFFFAOYSA-N 1 2 387.549 4.039 20 0 GIADLO CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000055687952 822999560 /nfs/dbraw/zinc/99/95/60/822999560.db2.gz NASSUEQNOBEQGZ-UHFFFAOYSA-N 1 2 390.487 4.102 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000055695857 823000106 /nfs/dbraw/zinc/00/01/06/823000106.db2.gz FZBISLVIEUXDSJ-UHFFFAOYSA-N 1 2 391.402 4.113 20 0 GIADLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187074759 823007052 /nfs/dbraw/zinc/00/70/52/823007052.db2.gz LXGSUDRSPLPOAS-FOIQADDNSA-N 1 2 381.863 4.128 20 0 GIADLO COc1ccc([C@H](C)CCNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000175644672 823011986 /nfs/dbraw/zinc/01/19/86/823011986.db2.gz NCWFHFTWLHAYSI-OAHLLOKOSA-N 1 2 385.508 4.051 20 0 GIADLO Cc1cccc(Oc2ccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)nc2)c1 ZINC000570189341 823013568 /nfs/dbraw/zinc/01/35/68/823013568.db2.gz QAUMWCHATKMFLO-OXQOHEQNSA-N 1 2 392.459 4.158 20 0 GIADLO Cc1cccc(Oc2ccc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)nc2)c1 ZINC000570189341 823013570 /nfs/dbraw/zinc/01/35/70/823013570.db2.gz QAUMWCHATKMFLO-OXQOHEQNSA-N 1 2 392.459 4.158 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ncc(Br)cc1F ZINC000187125319 823014328 /nfs/dbraw/zinc/01/43/28/823014328.db2.gz DQQDRNIYXVLEPD-NSHDSACASA-N 1 2 380.261 4.018 20 0 GIADLO C[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(Br)s1 ZINC000175665061 823015671 /nfs/dbraw/zinc/01/56/71/823015671.db2.gz AWBTXYRDDBQFQQ-LBPRGKRZSA-N 1 2 390.306 4.116 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000570241834 823018117 /nfs/dbraw/zinc/01/81/17/823018117.db2.gz HDZJXIAEVHLLFC-AWEZNQCLSA-N 1 2 392.784 4.059 20 0 GIADLO Cc1ccc(OCc2nc(C[S@](=O)Cc3ccc(C)[nH+]c3C)cs2)cc1 ZINC000187153582 823018221 /nfs/dbraw/zinc/01/82/21/823018221.db2.gz JVYKWAONGLNUQG-AREMUKBSSA-N 1 2 386.542 4.491 20 0 GIADLO COc1c(Br)cccc1C[NH2+]Cc1coc(-c2cccs2)n1 ZINC000187163909 823019663 /nfs/dbraw/zinc/01/96/63/823019663.db2.gz LKHHJFAWOXPAAY-UHFFFAOYSA-N 1 2 379.279 4.464 20 0 GIADLO Cc1ccc(C[S@](=O)[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(C)[nH+]1 ZINC000187215699 823026025 /nfs/dbraw/zinc/02/60/25/823026025.db2.gz WKYSBQKOPNAZLB-KHKBPRLJSA-N 1 2 398.572 4.092 20 0 GIADLO Cc1ccc(C[S@](=O)CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)c(C)[nH+]1 ZINC000187216204 823026277 /nfs/dbraw/zinc/02/62/77/823026277.db2.gz AQAUVNZCUNQOKH-FIPFOOKPSA-N 1 2 398.572 4.385 20 0 GIADLO Cc1ccc(C[S@](=O)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(C)[nH+]1 ZINC000187234408 823028702 /nfs/dbraw/zinc/02/87/02/823028702.db2.gz NPELKSXULBJSHM-SHZVTRLKSA-N 1 2 399.343 4.131 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000175741522 823030286 /nfs/dbraw/zinc/03/02/86/823030286.db2.gz QIEWYLWKZLJDDF-FQEVSTJZSA-N 1 2 394.563 4.269 20 0 GIADLO COc1ccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)c(Cl)c1OC ZINC000570374286 823031090 /nfs/dbraw/zinc/03/10/90/823031090.db2.gz RBTLCDNAFJVREM-UHFFFAOYSA-N 1 2 376.762 4.305 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000187277860 823035975 /nfs/dbraw/zinc/03/59/75/823035975.db2.gz XLFJVEMVQMWENW-UHFFFAOYSA-N 1 2 398.938 4.424 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000175770163 823036127 /nfs/dbraw/zinc/03/61/27/823036127.db2.gz SFDHDSKIJFKMRM-ZDUSSCGKSA-N 1 2 375.881 4.419 20 0 GIADLO C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000570440440 823038960 /nfs/dbraw/zinc/03/89/60/823038960.db2.gz CYMHMIWJVSBHAV-KRWDZBQOSA-N 1 2 386.455 4.006 20 0 GIADLO C[C@H]1CCN(C(=O)c2occc2CSc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000123832600 823544029 /nfs/dbraw/zinc/54/40/29/823544029.db2.gz VESPSZBWBLAIIX-QFBILLFUSA-N 1 2 381.501 4.492 20 0 GIADLO Cn1c(COc2ccccc2)nn(C[N@H+](C)[C@H]2CCc3ccccc32)c1=S ZINC000177916214 823545846 /nfs/dbraw/zinc/54/58/46/823545846.db2.gz OYZNTSYHOCYICC-IBGZPJMESA-N 1 2 380.517 4.107 20 0 GIADLO Cn1c(COc2ccccc2)nn(C[N@@H+](C)[C@H]2CCc3ccccc32)c1=S ZINC000177916214 823545850 /nfs/dbraw/zinc/54/58/50/823545850.db2.gz OYZNTSYHOCYICC-IBGZPJMESA-N 1 2 380.517 4.107 20 0 GIADLO CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060614993 823548373 /nfs/dbraw/zinc/54/83/73/823548373.db2.gz TUIHTPTXZFPQKF-UHFFFAOYSA-N 1 2 389.377 4.102 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CC[C@H](C(F)(F)F)C(C)(C)C3)n2)c(OC)c1 ZINC000190194243 823549287 /nfs/dbraw/zinc/54/92/87/823549287.db2.gz HKHOZTSEFJJRJE-HNNXBMFYSA-N 1 2 399.413 4.164 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CC[C@H](C(F)(F)F)C(C)(C)C3)n2)c(OC)c1 ZINC000190194243 823549289 /nfs/dbraw/zinc/54/92/89/823549289.db2.gz HKHOZTSEFJJRJE-HNNXBMFYSA-N 1 2 399.413 4.164 20 0 GIADLO CCN(C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CCCCC1 ZINC000190195906 823549432 /nfs/dbraw/zinc/54/94/32/823549432.db2.gz HZADOSTWYNXSPP-UHFFFAOYSA-N 1 2 394.519 4.006 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c(C)[nH+]1 ZINC000411146156 823551596 /nfs/dbraw/zinc/55/15/96/823551596.db2.gz MRBTYBPPWJIPFP-GOSISDBHSA-N 1 2 385.483 4.378 20 0 GIADLO O=c1[nH]c(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)nc2ccc(Cl)cc21 ZINC000411181436 823555080 /nfs/dbraw/zinc/55/50/80/823555080.db2.gz ATUGQPKPEZUAKD-QGZVFWFLSA-N 1 2 383.879 4.170 20 0 GIADLO O=c1[nH]c(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)nc2ccc(Cl)cc21 ZINC000411181436 823555083 /nfs/dbraw/zinc/55/50/83/823555083.db2.gz ATUGQPKPEZUAKD-QGZVFWFLSA-N 1 2 383.879 4.170 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000123991966 823558346 /nfs/dbraw/zinc/55/83/46/823558346.db2.gz KSJKGUXWZPLTCE-YLJYHZDGSA-N 1 2 391.519 4.090 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000123991422 823558396 /nfs/dbraw/zinc/55/83/96/823558396.db2.gz KSJKGUXWZPLTCE-XLIONFOSSA-N 1 2 391.519 4.090 20 0 GIADLO Cc1cccn2cc(C[NH2+]Cc3cc(Br)ccc3OC(F)F)nc12 ZINC000123996012 823558564 /nfs/dbraw/zinc/55/85/64/823558564.db2.gz YIYMBDBAAUISRD-UHFFFAOYSA-N 1 2 396.235 4.296 20 0 GIADLO CCOCCOCC[N@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000190285243 823559284 /nfs/dbraw/zinc/55/92/84/823559284.db2.gz JONYYWWMPKYDPU-UHFFFAOYSA-N 1 2 399.354 4.058 20 0 GIADLO CCOCCOCC[N@@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000190285243 823559287 /nfs/dbraw/zinc/55/92/87/823559287.db2.gz JONYYWWMPKYDPU-UHFFFAOYSA-N 1 2 399.354 4.058 20 0 GIADLO Cc1cccnc1[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)C ZINC000124057607 823563944 /nfs/dbraw/zinc/56/39/44/823563944.db2.gz JVZLBTVTZUHOBO-PKOBYXMFSA-N 1 2 386.565 4.237 20 0 GIADLO O=C(NC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1)c1ccccc1 ZINC000124062536 823564334 /nfs/dbraw/zinc/56/43/34/823564334.db2.gz MOZKBLIEPPKDQD-UHFFFAOYSA-N 1 2 392.528 4.281 20 0 GIADLO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@@H+]1CCc1cncs1 ZINC000411359480 823566331 /nfs/dbraw/zinc/56/63/31/823566331.db2.gz DIWSKGUCSMNJMB-INIZCTEOSA-N 1 2 384.332 4.486 20 0 GIADLO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@H+]1CCc1cncs1 ZINC000411359480 823566334 /nfs/dbraw/zinc/56/63/34/823566334.db2.gz DIWSKGUCSMNJMB-INIZCTEOSA-N 1 2 384.332 4.486 20 0 GIADLO C[C@H](CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000124122882 823569656 /nfs/dbraw/zinc/56/96/56/823569656.db2.gz JKGFYDWKZHPHPL-RKVPGOIHSA-N 1 2 390.325 4.249 20 0 GIADLO Cc1ccc(-c2nc(CC(=O)N3CC[NH+](Cc4cccs4)CC3)cs2)cc1 ZINC000060962011 823569816 /nfs/dbraw/zinc/56/98/16/823569816.db2.gz OWNHLVJVSLPYAV-UHFFFAOYSA-N 1 2 397.569 4.067 20 0 GIADLO Cc1sc2[nH]c(C[N@H+]3CCSC[C@@H](C)C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000190429744 823572659 /nfs/dbraw/zinc/57/26/59/823572659.db2.gz NCZSRQDKVJWRQP-AWEZNQCLSA-N 1 2 399.585 4.453 20 0 GIADLO Cc1sc2[nH]c(C[N@@H+]3CCSC[C@@H](C)C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000190429744 823572662 /nfs/dbraw/zinc/57/26/62/823572662.db2.gz NCZSRQDKVJWRQP-AWEZNQCLSA-N 1 2 399.585 4.453 20 0 GIADLO C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000124182353 823575255 /nfs/dbraw/zinc/57/52/55/823575255.db2.gz ZTTCSCKDSLYFOZ-LIRZEXBASA-N 1 2 377.410 4.115 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCc3c(F)cccc3C2)C[C@@H](C)O1 ZINC000124228589 823579163 /nfs/dbraw/zinc/57/91/63/823579163.db2.gz AVMQKGSMBHQGQO-IAGOWNOFSA-N 1 2 397.494 4.025 20 0 GIADLO CC1(C)C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c2ccccc2O1 ZINC000411480589 823579861 /nfs/dbraw/zinc/57/98/61/823579861.db2.gz XTRRLIPEDPXZIG-LJQANCHMSA-N 1 2 379.504 4.033 20 0 GIADLO Fc1ccc(OC2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)cn1 ZINC000190490082 823580601 /nfs/dbraw/zinc/58/06/01/823580601.db2.gz AUFLLUSDRMQSAD-UHFFFAOYSA-N 1 2 384.480 4.464 20 0 GIADLO CC(C)[C@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC000411524048 823584757 /nfs/dbraw/zinc/58/47/57/823584757.db2.gz ZKRLNKDMNWXUIC-HNNXBMFYSA-N 1 2 389.323 4.278 20 0 GIADLO COc1ccc(-c2nc(C[NH+]3CC(C)(C)OC(C)(C)C3)cs2)c(OC)c1 ZINC000190543242 823584865 /nfs/dbraw/zinc/58/48/65/823584865.db2.gz IAATULPDXVVELK-UHFFFAOYSA-N 1 2 376.522 4.217 20 0 GIADLO O=C(Nc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000061283675 823589004 /nfs/dbraw/zinc/58/90/04/823589004.db2.gz BMFYSSMKRNXASW-KRWDZBQOSA-N 1 2 380.435 4.434 20 0 GIADLO CCCCOc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000190645817 823594731 /nfs/dbraw/zinc/59/47/31/823594731.db2.gz GGOXWRPVBVHRNL-UHFFFAOYSA-N 1 2 390.915 4.262 20 0 GIADLO Brc1ccc([C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C2CC2)s1 ZINC000190654423 823595415 /nfs/dbraw/zinc/59/54/15/823595415.db2.gz FDOVAKNAZAOZHC-KRWDZBQOSA-N 1 2 394.338 4.305 20 0 GIADLO COCC[C@@H]([NH2+]Cc1nc(N)c2ccccc2n1)c1ccc(Cl)c(Cl)c1 ZINC000411691464 823597505 /nfs/dbraw/zinc/59/75/05/823597505.db2.gz CFNJTDHBEGLRFU-MRXNPFEDSA-N 1 2 391.302 4.217 20 0 GIADLO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc(Cn4cc[nH+]c4)cc3)nc2c1 ZINC000061461245 823598951 /nfs/dbraw/zinc/59/89/51/823598951.db2.gz IBTUMZOZIVVQGF-NRFANRHFSA-N 1 2 385.471 4.093 20 0 GIADLO Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(Cn4cc[nH+]c4)cc3)[nH]c2c1 ZINC000061461245 823598957 /nfs/dbraw/zinc/59/89/57/823598957.db2.gz IBTUMZOZIVVQGF-NRFANRHFSA-N 1 2 385.471 4.093 20 0 GIADLO Cc1cc(OCCCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000124469826 823599476 /nfs/dbraw/zinc/59/94/76/823599476.db2.gz NUILHNVYSBPXBK-KXBFYZLASA-N 1 2 375.900 4.114 20 0 GIADLO O=S(=O)(CC[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1)c1ccccc1 ZINC000124539863 823604746 /nfs/dbraw/zinc/60/47/46/823604746.db2.gz FJKGOCLYOJSXIW-UHFFFAOYSA-N 1 2 392.524 4.187 20 0 GIADLO O=S(=O)(CC[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1)c1ccccc1 ZINC000124539863 823604747 /nfs/dbraw/zinc/60/47/47/823604747.db2.gz FJKGOCLYOJSXIW-UHFFFAOYSA-N 1 2 392.524 4.187 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC000411809496 823607042 /nfs/dbraw/zinc/60/70/42/823607042.db2.gz UKGVPDZXVKZMBX-WMZOPIPTSA-N 1 2 385.895 4.051 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000411838640 823610784 /nfs/dbraw/zinc/61/07/84/823610784.db2.gz YZHSVLLMRVZMCZ-VQTJNVASSA-N 1 2 379.504 4.130 20 0 GIADLO Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H](O)C[C@H]3c3ccccc3)cs2)cc1 ZINC000411934160 823615050 /nfs/dbraw/zinc/61/50/50/823615050.db2.gz HHFBYEUGUOOTDP-FPOVZHCZSA-N 1 2 380.513 4.338 20 0 GIADLO Cc1ccc(OCc2nc(C[N@H+]3C[C@@H](O)C[C@H]3c3ccccc3)cs2)cc1 ZINC000411934160 823615051 /nfs/dbraw/zinc/61/50/51/823615051.db2.gz HHFBYEUGUOOTDP-FPOVZHCZSA-N 1 2 380.513 4.338 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CCSc2c(F)cccc21 ZINC000061913603 823618205 /nfs/dbraw/zinc/61/82/05/823618205.db2.gz ITQNIEPZCTUFSX-LJQANCHMSA-N 1 2 396.491 4.107 20 0 GIADLO C[C@H](Cc1ccco1)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000061939820 823619022 /nfs/dbraw/zinc/61/90/22/823619022.db2.gz JHEDRPDORGWFCO-RDTXWAMCSA-N 1 2 393.890 4.139 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411994672 823619211 /nfs/dbraw/zinc/61/92/11/823619211.db2.gz AVGDQPMLCFXQIG-MGPUTAFESA-N 1 2 386.442 4.146 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411994672 823619214 /nfs/dbraw/zinc/61/92/14/823619214.db2.gz AVGDQPMLCFXQIG-MGPUTAFESA-N 1 2 386.442 4.146 20 0 GIADLO O=C1[C@H]([N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCN1c1ccccc1Cl ZINC000411998442 823619842 /nfs/dbraw/zinc/61/98/42/823619842.db2.gz LFIHGCBWMLYQQN-RTWAWAEBSA-N 1 2 396.918 4.299 20 0 GIADLO O=C1[C@H]([N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCN1c1ccccc1Cl ZINC000411998442 823619844 /nfs/dbraw/zinc/61/98/44/823619844.db2.gz LFIHGCBWMLYQQN-RTWAWAEBSA-N 1 2 396.918 4.299 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(F)c1 ZINC000412002957 823620850 /nfs/dbraw/zinc/62/08/50/823620850.db2.gz VPTJQGIRSGGPHT-UTKZUKDTSA-N 1 2 382.479 4.315 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(F)c1 ZINC000412002957 823620851 /nfs/dbraw/zinc/62/08/51/823620851.db2.gz VPTJQGIRSGGPHT-UTKZUKDTSA-N 1 2 382.479 4.315 20 0 GIADLO Cc1cc(F)c(Br)cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000190895935 823621189 /nfs/dbraw/zinc/62/11/89/823621189.db2.gz GTPJUTBXUVVIDE-MEDUHNTESA-N 1 2 395.276 4.208 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cs1)c1ccc(C)cc1C ZINC000412067666 823625629 /nfs/dbraw/zinc/62/56/29/823625629.db2.gz DWPLPKDTZFILNF-FUHWJXTLSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cs1)c1ccc(C)cc1C ZINC000412067666 823625630 /nfs/dbraw/zinc/62/56/30/823625630.db2.gz DWPLPKDTZFILNF-FUHWJXTLSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cs1)c1ccc(Cl)cc1 ZINC000412098269 823626427 /nfs/dbraw/zinc/62/64/27/823626427.db2.gz VQPMVMVUQDRNCX-DZGCQCFKSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cs1)c1ccc(Cl)cc1 ZINC000412098269 823626428 /nfs/dbraw/zinc/62/64/28/823626428.db2.gz VQPMVMVUQDRNCX-DZGCQCFKSA-N 1 2 393.940 4.074 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000412143857 823629933 /nfs/dbraw/zinc/62/99/33/823629933.db2.gz AMZGAGKBCPYSSF-QPPBQGQZSA-N 1 2 377.532 4.340 20 0 GIADLO CC[N@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)[C@@H](C)CS(C)(=O)=O ZINC000124894747 823634519 /nfs/dbraw/zinc/63/45/19/823634519.db2.gz TXQLTEBYZNXRGT-AWEZNQCLSA-N 1 2 383.460 4.012 20 0 GIADLO CC[N@@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)[C@@H](C)CS(C)(=O)=O ZINC000124894747 823634521 /nfs/dbraw/zinc/63/45/21/823634521.db2.gz TXQLTEBYZNXRGT-AWEZNQCLSA-N 1 2 383.460 4.012 20 0 GIADLO CC(C)(C)c1ccc(OCc2ccc(C(=O)NCCc3[nH]cc[nH+]3)cc2)cc1 ZINC000461461696 823642397 /nfs/dbraw/zinc/64/23/97/823642397.db2.gz ALCLPMFGRJXBIZ-UHFFFAOYSA-N 1 2 377.488 4.259 20 0 GIADLO COc1ccc2cc([C@H](C)C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2c1 ZINC000125009536 823644824 /nfs/dbraw/zinc/64/48/24/823644824.db2.gz BJRJAQAMBADSAS-HOIFWPIMSA-N 1 2 377.488 4.258 20 0 GIADLO C[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000191104630 823649823 /nfs/dbraw/zinc/64/98/23/823649823.db2.gz PGPANHMGIWJRSR-DAYGRLMNSA-N 1 2 394.441 4.298 20 0 GIADLO CCC(=O)Nc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000125119837 823652867 /nfs/dbraw/zinc/65/28/67/823652867.db2.gz MKBSLUVYUNOEFJ-NRFANRHFSA-N 1 2 397.544 4.072 20 0 GIADLO Cc1sc2[nH]c(C[N@H+]3[C@H](C)CC(O)C[C@@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000191145501 823653380 /nfs/dbraw/zinc/65/33/80/823653380.db2.gz QGTRIWBHKMKKOV-VMZNBEPHSA-N 1 2 397.544 4.002 20 0 GIADLO Cc1sc2[nH]c(C[N@@H+]3[C@H](C)CC(O)C[C@@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000191145501 823653387 /nfs/dbraw/zinc/65/33/87/823653387.db2.gz QGTRIWBHKMKKOV-VMZNBEPHSA-N 1 2 397.544 4.002 20 0 GIADLO COc1ccc(-c2noc(C[N@H+](C)[C@H](C)c3ccc(F)c(F)c3)n2)c(OC)c1 ZINC000125238891 823661546 /nfs/dbraw/zinc/66/15/46/823661546.db2.gz TUBJGKZDHRDMDV-GFCCVEGCSA-N 1 2 389.402 4.225 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+](C)[C@H](C)c3ccc(F)c(F)c3)n2)c(OC)c1 ZINC000125238891 823661549 /nfs/dbraw/zinc/66/15/49/823661549.db2.gz TUBJGKZDHRDMDV-GFCCVEGCSA-N 1 2 389.402 4.225 20 0 GIADLO COc1ccc(CCC[N@H+](C)Cn2nc(C)n(Cc3ccccc3)c2=S)cc1 ZINC000125278168 823664401 /nfs/dbraw/zinc/66/44/01/823664401.db2.gz NGSXSKKOIDHHIR-UHFFFAOYSA-N 1 2 396.560 4.302 20 0 GIADLO COc1ccc(CCC[N@@H+](C)Cn2nc(C)n(Cc3ccccc3)c2=S)cc1 ZINC000125278168 823664403 /nfs/dbraw/zinc/66/44/03/823664403.db2.gz NGSXSKKOIDHHIR-UHFFFAOYSA-N 1 2 396.560 4.302 20 0 GIADLO O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000412587633 823664683 /nfs/dbraw/zinc/66/46/83/823664683.db2.gz DUTVLMYSJVSBNO-GHTZIAJQSA-N 1 2 398.934 4.238 20 0 GIADLO O=C(c1nccc2ccccc21)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000063501357 823676543 /nfs/dbraw/zinc/67/65/43/823676543.db2.gz QVPDUAPZGHLETG-UHFFFAOYSA-N 1 2 399.416 4.212 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cccnc2Sc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000125517943 823682140 /nfs/dbraw/zinc/68/21/40/823682140.db2.gz APOVRKREMUGEKP-VQIMIIECSA-N 1 2 378.501 4.153 20 0 GIADLO CCc1nc(C[N@H+](C)C[C@H](O)COc2ccc(Oc3ccccc3)cc2)cs1 ZINC000063603889 823682773 /nfs/dbraw/zinc/68/27/73/823682773.db2.gz OGHXKGNORZUBAN-SFHVURJKSA-N 1 2 398.528 4.370 20 0 GIADLO CCc1nc(C[N@@H+](C)C[C@H](O)COc2ccc(Oc3ccccc3)cc2)cs1 ZINC000063603889 823682774 /nfs/dbraw/zinc/68/27/74/823682774.db2.gz OGHXKGNORZUBAN-SFHVURJKSA-N 1 2 398.528 4.370 20 0 GIADLO O=C(Nc1nnc(-c2ccccc2Cl)s1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000063657325 823687287 /nfs/dbraw/zinc/68/72/87/823687287.db2.gz LBVHUIOGWOVSHO-KRWDZBQOSA-N 1 2 398.919 4.462 20 0 GIADLO O=C(Nc1nnc(-c2ccccc2Cl)s1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000063657325 823687289 /nfs/dbraw/zinc/68/72/89/823687289.db2.gz LBVHUIOGWOVSHO-KRWDZBQOSA-N 1 2 398.919 4.462 20 0 GIADLO O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000063664661 823687706 /nfs/dbraw/zinc/68/77/06/823687706.db2.gz FGVBKETYZLTVPA-UHFFFAOYSA-N 1 2 394.327 4.494 20 0 GIADLO O=C(NCCNc1cccc[nH+]1)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000063703967 823690127 /nfs/dbraw/zinc/69/01/27/823690127.db2.gz WTFTYUBQZMKIDP-UHFFFAOYSA-N 1 2 381.863 4.156 20 0 GIADLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(N(C)C(C)C)nc1)c1ccccn1 ZINC000191498447 823691799 /nfs/dbraw/zinc/69/17/99/823691799.db2.gz UARSSCNAYYNGIC-HSZRJFAPSA-N 1 2 376.504 4.209 20 0 GIADLO c1csc(-c2ncc(C[NH+]3CCN(c4ncnc5sccc54)CC3)s2)c1 ZINC000125653857 823693939 /nfs/dbraw/zinc/69/39/39/823693939.db2.gz OJDLHYBGGPQYHS-UHFFFAOYSA-N 1 2 399.570 4.199 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000125655847 823694107 /nfs/dbraw/zinc/69/41/07/823694107.db2.gz OPTMULMMVSANAC-HNNXBMFYSA-N 1 2 375.542 4.175 20 0 GIADLO CC(C)[N@H+](Cc1cccnc1)Cc1cc2c(cc1Br)OCCO2 ZINC000125664258 823694628 /nfs/dbraw/zinc/69/46/28/823694628.db2.gz RBNNDBCMPXVZGO-UHFFFAOYSA-N 1 2 377.282 4.026 20 0 GIADLO CC(C)[N@@H+](Cc1cccnc1)Cc1cc2c(cc1Br)OCCO2 ZINC000125664258 823694629 /nfs/dbraw/zinc/69/46/29/823694629.db2.gz RBNNDBCMPXVZGO-UHFFFAOYSA-N 1 2 377.282 4.026 20 0 GIADLO Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Oc1ccncc1 ZINC000125668677 823695140 /nfs/dbraw/zinc/69/51/40/823695140.db2.gz IRLQXRAWQAPPNO-OXQOHEQNSA-N 1 2 376.460 4.102 20 0 GIADLO C[C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000461790073 823695722 /nfs/dbraw/zinc/69/57/22/823695722.db2.gz GVVVCMFWMKUERM-HNNXBMFYSA-N 1 2 398.304 4.114 20 0 GIADLO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccccc1F)c1nc(-c2cccc(F)c2)no1 ZINC000191531654 823696338 /nfs/dbraw/zinc/69/63/38/823696338.db2.gz PTLJPTXYUMGSSU-LBPRGKRZSA-N 1 2 381.386 4.256 20 0 GIADLO FC(F)(F)c1cccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000063790324 823696416 /nfs/dbraw/zinc/69/64/16/823696416.db2.gz ZRKFCMUSSYTOTF-UHFFFAOYSA-N 1 2 376.407 4.378 20 0 GIADLO C[C@H](c1nnc(SCCOCC2CCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000412984687 823697655 /nfs/dbraw/zinc/69/76/55/823697655.db2.gz PWPSBIWOTPFSHL-OAHLLOKOSA-N 1 2 392.544 4.328 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@H](Cc3ccccc3)c3ccccc3)[nH+]cn2)C1 ZINC000413029162 823700475 /nfs/dbraw/zinc/70/04/75/823700475.db2.gz RCUSZBLITCCPOF-VLCRHTCISA-N 1 2 388.515 4.080 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@H](Cc3ccccc3)c3ccccc3)nc[nH+]2)C1 ZINC000413029162 823700476 /nfs/dbraw/zinc/70/04/76/823700476.db2.gz RCUSZBLITCCPOF-VLCRHTCISA-N 1 2 388.515 4.080 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@H](Cc3ccccc3)c3ccccc3)[nH+]cn2)C1 ZINC000413029163 823700514 /nfs/dbraw/zinc/70/05/14/823700514.db2.gz RCUSZBLITCCPOF-YUXAGFNASA-N 1 2 388.515 4.080 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@H](Cc3ccccc3)c3ccccc3)nc[nH+]2)C1 ZINC000413029163 823700517 /nfs/dbraw/zinc/70/05/17/823700517.db2.gz RCUSZBLITCCPOF-YUXAGFNASA-N 1 2 388.515 4.080 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N(Cc1c(F)cccc1F)C1CC1 ZINC000191577654 823703471 /nfs/dbraw/zinc/70/34/71/823703471.db2.gz HLBRXFOGIHFOGM-UHFFFAOYSA-N 1 2 382.414 4.025 20 0 GIADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000191583757 823704503 /nfs/dbraw/zinc/70/45/03/823704503.db2.gz ITKFJJKZTNRVRZ-CHWSQXEVSA-N 1 2 392.887 4.014 20 0 GIADLO C[N@H+](Cc1coc(-c2ccccc2)n1)[C@@H](CO)c1cccc(Br)c1 ZINC000125809613 823716315 /nfs/dbraw/zinc/71/63/15/823716315.db2.gz UYEGPKCWBLXJNN-SFHVURJKSA-N 1 2 387.277 4.270 20 0 GIADLO C[N@@H+](Cc1coc(-c2ccccc2)n1)[C@@H](CO)c1cccc(Br)c1 ZINC000125809613 823716318 /nfs/dbraw/zinc/71/63/18/823716318.db2.gz UYEGPKCWBLXJNN-SFHVURJKSA-N 1 2 387.277 4.270 20 0 GIADLO O=C(Nc1c(F)cc(F)cc1F)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000125819045 823718719 /nfs/dbraw/zinc/71/87/19/823718719.db2.gz OPGUTAJKORBNST-QZTJIDSGSA-N 1 2 386.377 4.351 20 0 GIADLO CC(C)c1[nH+]c(CNc2cccc([C@@H](C)N3CCOCC3)c2)c2ccccn21 ZINC000574404350 823720790 /nfs/dbraw/zinc/72/07/90/823720790.db2.gz NPKUPSKEZMQJNP-GOSISDBHSA-N 1 2 378.520 4.463 20 0 GIADLO CN(C)c1ccccc1C[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000574435749 823728916 /nfs/dbraw/zinc/72/89/16/823728916.db2.gz QXPRHKWSHWMYGE-UHFFFAOYSA-N 1 2 381.501 4.237 20 0 GIADLO CN(C)c1ccccc1C[N@@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000574435749 823728920 /nfs/dbraw/zinc/72/89/20/823728920.db2.gz QXPRHKWSHWMYGE-UHFFFAOYSA-N 1 2 381.501 4.237 20 0 GIADLO Fc1ccc(OC2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)cn1 ZINC000191675975 823729187 /nfs/dbraw/zinc/72/91/87/823729187.db2.gz PILXHTIHWQKJEE-UHFFFAOYSA-N 1 2 375.494 4.449 20 0 GIADLO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000125879818 823735350 /nfs/dbraw/zinc/73/53/50/823735350.db2.gz IGBMGLIMBUYUSG-DNVCBOLYSA-N 1 2 390.915 4.003 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000125885888 823737672 /nfs/dbraw/zinc/73/76/72/823737672.db2.gz HZACHTZRUJYAES-UHFFFAOYSA-N 1 2 381.863 4.209 20 0 GIADLO COCCN(Cc1scnc1C)c1[nH+]ccc2cc(Br)ccc21 ZINC000413269221 823742313 /nfs/dbraw/zinc/74/23/13/823742313.db2.gz PIIFUOKVCHEWIP-UHFFFAOYSA-N 1 2 392.322 4.415 20 0 GIADLO C[C@@H]1CCN(C(=O)COc2ccccc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000125917345 823743680 /nfs/dbraw/zinc/74/36/80/823743680.db2.gz QSKHRYCROZDYRD-WIYYLYMNSA-N 1 2 375.472 4.039 20 0 GIADLO OC[C@@]1(c2ccccc2)CCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413294845 823746915 /nfs/dbraw/zinc/74/69/15/823746915.db2.gz DKWSNVPUVYNKJI-HXUWFJFHSA-N 1 2 383.289 4.138 20 0 GIADLO FC(F)(F)C[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000574514151 823753218 /nfs/dbraw/zinc/75/32/18/823753218.db2.gz VPPJFNJLNOHIBT-JTQLQIEISA-N 1 2 379.213 4.348 20 0 GIADLO FC(F)(F)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000574514151 823753229 /nfs/dbraw/zinc/75/32/29/823753229.db2.gz VPPJFNJLNOHIBT-JTQLQIEISA-N 1 2 379.213 4.348 20 0 GIADLO COc1ccc(OC)c2c1C[N@@H+]([C@H](C)c1ccc(OC(F)(F)F)cc1)C[C@@H]2O ZINC000064140742 823753967 /nfs/dbraw/zinc/75/39/67/823753967.db2.gz IYAUSJIIFBVIQJ-WBMJQRKESA-N 1 2 397.393 4.213 20 0 GIADLO COc1ccc(OC)c2c1C[N@H+]([C@H](C)c1ccc(OC(F)(F)F)cc1)C[C@@H]2O ZINC000064140742 823753971 /nfs/dbraw/zinc/75/39/71/823753971.db2.gz IYAUSJIIFBVIQJ-WBMJQRKESA-N 1 2 397.393 4.213 20 0 GIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)CC(F)(F)F)c(C)c1 ZINC000413398902 823768460 /nfs/dbraw/zinc/76/84/60/823768460.db2.gz LAYPMIDWYPPSSH-RHSMWYFYSA-N 1 2 382.430 4.129 20 0 GIADLO C[C@@H](NC(=O)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1)c1ccccc1 ZINC000126025283 823768958 /nfs/dbraw/zinc/76/89/58/823768958.db2.gz QKHIRSOVPDFPJX-HOYKHHGWSA-N 1 2 398.510 4.130 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(N2CCCC2)cc1C ZINC000191801074 823772871 /nfs/dbraw/zinc/77/28/71/823772871.db2.gz OCMBBBQBDUUAEF-UHFFFAOYSA-N 1 2 383.540 4.298 20 0 GIADLO Cc1ccc(NC(=O)C[NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)cc1 ZINC000126063237 823777787 /nfs/dbraw/zinc/77/77/87/823777787.db2.gz MIVXZXPDWZGPHM-QHCPKHFHSA-N 1 2 384.483 4.199 20 0 GIADLO Fc1c(Cl)cccc1Cc1noc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000574610336 823780668 /nfs/dbraw/zinc/78/06/68/823780668.db2.gz FGDMPHXCKIUIEW-KRWDZBQOSA-N 1 2 387.842 4.026 20 0 GIADLO Fc1c(Cl)cccc1Cc1noc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000574610336 823780673 /nfs/dbraw/zinc/78/06/73/823780673.db2.gz FGDMPHXCKIUIEW-KRWDZBQOSA-N 1 2 387.842 4.026 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000126085697 823783252 /nfs/dbraw/zinc/78/32/52/823783252.db2.gz YUVNOACIRCSUAF-DNNBLBMLSA-N 1 2 378.303 4.403 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(C)c2O)n1 ZINC000191823973 823784331 /nfs/dbraw/zinc/78/43/31/823784331.db2.gz JRYMIQBYTYEEDA-OAHLLOKOSA-N 1 2 380.897 4.324 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2cc(Cl)cc(C)c2O)n1 ZINC000191823973 823784343 /nfs/dbraw/zinc/78/43/43/823784343.db2.gz JRYMIQBYTYEEDA-OAHLLOKOSA-N 1 2 380.897 4.324 20 0 GIADLO COC(=O)c1ccc(C[NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)s1 ZINC000126103653 823788737 /nfs/dbraw/zinc/78/87/37/823788737.db2.gz QRWCKRZCGZZFMB-HXUWFJFHSA-N 1 2 391.496 4.301 20 0 GIADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)N1CCC=C(F)C1 ZINC000461997780 823788966 /nfs/dbraw/zinc/78/89/66/823788966.db2.gz WFZJUDAMVTUXSM-UHFFFAOYSA-N 1 2 390.462 4.367 20 0 GIADLO CSCC[C@@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1nnc2ccccn21 ZINC000164251717 823789799 /nfs/dbraw/zinc/78/97/99/823789799.db2.gz XCIUAQNGVIMCCQ-XHDPSFHLSA-N 1 2 380.439 4.292 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000126126263 823794824 /nfs/dbraw/zinc/79/48/24/823794824.db2.gz FFRJHAOCTKSCBZ-UHFFFAOYSA-N 1 2 396.506 4.417 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000191848349 823795067 /nfs/dbraw/zinc/79/50/67/823795067.db2.gz MZRQHCYQWWURDA-UHFFFAOYSA-N 1 2 399.539 4.293 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C[C@H]2CCOC2)C2CC2)cs1)c1ccc(C)c(C)c1 ZINC000064344989 823797378 /nfs/dbraw/zinc/79/73/78/823797378.db2.gz UIYPQPIPOXBRSA-GOSISDBHSA-N 1 2 399.560 4.445 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cs1)c1ccc(C)c(C)c1 ZINC000064344989 823797384 /nfs/dbraw/zinc/79/73/84/823797384.db2.gz UIYPQPIPOXBRSA-GOSISDBHSA-N 1 2 399.560 4.445 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000126153171 823800777 /nfs/dbraw/zinc/80/07/77/823800777.db2.gz MZARWASLNJUZDN-NQIIRXRSSA-N 1 2 381.520 4.154 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC(C)C)cc1F ZINC000191878573 823802101 /nfs/dbraw/zinc/80/21/01/823802101.db2.gz CSCWIGFXWUJYGU-UHFFFAOYSA-N 1 2 376.476 4.316 20 0 GIADLO O=C(c1cc(-c2ccccc2)ns1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000462031884 823803496 /nfs/dbraw/zinc/80/34/96/823803496.db2.gz MFCCRMWWHTVFEP-UHFFFAOYSA-N 1 2 395.503 4.297 20 0 GIADLO O=C(c1cc(-c2ccccc2)ns1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000462031884 823803507 /nfs/dbraw/zinc/80/35/07/823803507.db2.gz MFCCRMWWHTVFEP-UHFFFAOYSA-N 1 2 395.503 4.297 20 0 GIADLO COC[C@@H](C)[C@@H](C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000462033038 823803926 /nfs/dbraw/zinc/80/39/26/823803926.db2.gz QOVFLXBXVHXBSS-RTBURBONSA-N 1 2 391.515 4.133 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000126189214 823808342 /nfs/dbraw/zinc/80/83/42/823808342.db2.gz BLCCNLFVQJXGSI-SJORKVTESA-N 1 2 384.442 4.134 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000064395069 823810299 /nfs/dbraw/zinc/81/02/99/823810299.db2.gz SGOZNBSRHJIBMP-ZWKOTPCHSA-N 1 2 381.863 4.358 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000191915477 823810449 /nfs/dbraw/zinc/81/04/49/823810449.db2.gz KPGYCTSENXBQAA-UHFFFAOYSA-N 1 2 384.402 4.130 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000126198516 823810717 /nfs/dbraw/zinc/81/07/17/823810717.db2.gz OZXGSVUTEOSJSU-UHFFFAOYSA-N 1 2 396.556 4.047 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000191914884 823810690 /nfs/dbraw/zinc/81/06/90/823810690.db2.gz SPNAAUABGPFYIH-UHFFFAOYSA-N 1 2 381.480 4.353 20 0 GIADLO CCO[C@@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccccc1 ZINC000413654952 823811600 /nfs/dbraw/zinc/81/16/00/823811600.db2.gz MBQOYRBZISCZHW-FGZHOGPDSA-N 1 2 377.488 4.135 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCCc1ccc(Cl)cc1 ZINC000126223227 823815439 /nfs/dbraw/zinc/81/54/39/823815439.db2.gz DYRMDIOBIYUGHR-UHFFFAOYSA-N 1 2 386.923 4.442 20 0 GIADLO Cc1ccc(N2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)cc1C ZINC000126242991 823819148 /nfs/dbraw/zinc/81/91/48/823819148.db2.gz TWRNAKVRRFLUPT-UHFFFAOYSA-N 1 2 382.895 4.329 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cnc(-c2ccsc2)s1 ZINC000126253894 823821508 /nfs/dbraw/zinc/82/15/08/823821508.db2.gz QPZOTJBBJPNUKO-UHFFFAOYSA-N 1 2 399.541 4.265 20 0 GIADLO OC[C@H]([NH2+]Cc1csc(Cc2ccc(Cl)cc2)n1)c1ccc(F)cc1 ZINC000574784780 823825479 /nfs/dbraw/zinc/82/54/79/823825479.db2.gz IYAAQDZQFSCMBY-SFHVURJKSA-N 1 2 376.884 4.350 20 0 GIADLO CC[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CC(F)(F)F ZINC000413735575 823828047 /nfs/dbraw/zinc/82/80/47/823828047.db2.gz IQQKYOJLHFKNQY-HUUCEWRRSA-N 1 2 386.462 4.087 20 0 GIADLO Clc1ccccc1[C@@H](c1ccccc1)[NH+]1CCN(Cc2ncccn2)CC1 ZINC000191984299 823831406 /nfs/dbraw/zinc/83/14/06/823831406.db2.gz JOJCSPRQGMXMCA-JOCHJYFZSA-N 1 2 378.907 4.037 20 0 GIADLO COc1ccccc1C[C@H](C)CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126294965 823832929 /nfs/dbraw/zinc/83/29/29/823832929.db2.gz ZQWSBQQKHOLQAF-SFHVURJKSA-N 1 2 396.531 4.043 20 0 GIADLO CSc1ccc(Cl)cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000064562980 823846339 /nfs/dbraw/zinc/84/63/39/823846339.db2.gz MQJCXOOQINVIBO-UHFFFAOYSA-N 1 2 376.913 4.247 20 0 GIADLO Cc1sc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)nc1C(C)C ZINC000462158502 823848537 /nfs/dbraw/zinc/84/85/37/823848537.db2.gz LYKKEDFEXADMDH-CQSZACIVSA-N 1 2 392.594 4.225 20 0 GIADLO CC(C)[N@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1ccccn1 ZINC000165446096 823849230 /nfs/dbraw/zinc/84/92/30/823849230.db2.gz VMAHDLKLPXQURU-UHFFFAOYSA-N 1 2 384.480 4.193 20 0 GIADLO CC(C)[N@@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1ccccn1 ZINC000165446096 823849232 /nfs/dbraw/zinc/84/92/32/823849232.db2.gz VMAHDLKLPXQURU-UHFFFAOYSA-N 1 2 384.480 4.193 20 0 GIADLO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000126388927 823854663 /nfs/dbraw/zinc/85/46/63/823854663.db2.gz VCELNRXOCAJNEC-APWZRJJASA-N 1 2 394.544 4.276 20 0 GIADLO CC[C@H](C)NC(=O)C[NH2+][C@@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000462176832 823855365 /nfs/dbraw/zinc/85/53/65/823855365.db2.gz PGMPHLGBHYCDJS-RBZFPXEDSA-N 1 2 378.488 4.280 20 0 GIADLO CCc1ccc([C@H](NC(=O)C[N@H+](C)CCC(F)(F)F)c2cccs2)cc1 ZINC000064635847 823855729 /nfs/dbraw/zinc/85/57/29/823855729.db2.gz IPODRLNHSKWZKG-SFHVURJKSA-N 1 2 384.467 4.400 20 0 GIADLO CCc1ccc([C@H](NC(=O)C[N@@H+](C)CCC(F)(F)F)c2cccs2)cc1 ZINC000064635847 823855741 /nfs/dbraw/zinc/85/57/41/823855741.db2.gz IPODRLNHSKWZKG-SFHVURJKSA-N 1 2 384.467 4.400 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1C ZINC000126396682 823856615 /nfs/dbraw/zinc/85/66/15/823856615.db2.gz CEGQOKOYVJWQJU-UHFFFAOYSA-N 1 2 382.291 4.355 20 0 GIADLO C[C@@H]1CCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000126412466 823860362 /nfs/dbraw/zinc/86/03/62/823860362.db2.gz CFWRTGOOHJWAJA-RHSMWYFYSA-N 1 2 379.426 4.289 20 0 GIADLO Cc1ccccc1OC[C@@H](O)COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000574923262 823861169 /nfs/dbraw/zinc/86/11/69/823861169.db2.gz JYMNNHNOGMSDKX-FQEVSTJZSA-N 1 2 378.472 4.014 20 0 GIADLO Cn1c(C[N@@H+]2CCC=C(c3ccccn3)C2)nc2ccc(Br)cc21 ZINC000574925163 823861989 /nfs/dbraw/zinc/86/19/89/823861989.db2.gz RZNPJVIBUILULX-UHFFFAOYSA-N 1 2 383.293 4.020 20 0 GIADLO Cn1c(C[N@H+]2CCC=C(c3ccccn3)C2)nc2ccc(Br)cc21 ZINC000574925163 823861995 /nfs/dbraw/zinc/86/19/95/823861995.db2.gz RZNPJVIBUILULX-UHFFFAOYSA-N 1 2 383.293 4.020 20 0 GIADLO COC[C@@H]1CCC[N@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)C1 ZINC000165852360 823864900 /nfs/dbraw/zinc/86/49/00/823864900.db2.gz GQZUWCFEXKLLSS-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO COC[C@@H]1CCC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)C1 ZINC000165852360 823864907 /nfs/dbraw/zinc/86/49/07/823864907.db2.gz GQZUWCFEXKLLSS-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO C[C@H]1CCN(C(=O)CCSc2nc3ccccc3s2)C[C@H]1n1cc[nH+]c1 ZINC000126447466 823870360 /nfs/dbraw/zinc/87/03/60/823870360.db2.gz BRMCGLWXFNFDSG-GOEBONIOSA-N 1 2 386.546 4.085 20 0 GIADLO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2csc(N(C(C)=O)c3ccccc3)n2)C1(C)C ZINC000166214604 823872608 /nfs/dbraw/zinc/87/26/08/823872608.db2.gz ISGRHBMMQZEAIL-WIYYLYMNSA-N 1 2 387.549 4.463 20 0 GIADLO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2csc(N(C(C)=O)c3ccccc3)n2)C1(C)C ZINC000166214604 823872614 /nfs/dbraw/zinc/87/26/14/823872614.db2.gz ISGRHBMMQZEAIL-WIYYLYMNSA-N 1 2 387.549 4.463 20 0 GIADLO CCOCCC1(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CCCC1 ZINC000462218356 823877742 /nfs/dbraw/zinc/87/77/42/823877742.db2.gz MZKUDOQKUVPETP-SFHVURJKSA-N 1 2 393.597 4.123 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnn(-c2ccccc2)c1C(C)C ZINC000574981104 823878925 /nfs/dbraw/zinc/87/89/25/823878925.db2.gz FQYWJMYQJYHFDX-UHFFFAOYSA-N 1 2 393.535 4.307 20 0 GIADLO COc1cccc(F)c1[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462221114 823878927 /nfs/dbraw/zinc/87/89/27/823878927.db2.gz IDJPJWCKRIRUAS-GJZGRUSLSA-N 1 2 391.512 4.045 20 0 GIADLO Cc1noc(-c2ccccc2)c1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000126532110 823892338 /nfs/dbraw/zinc/89/23/38/823892338.db2.gz XSZROVIUUZIUJX-UHFFFAOYSA-N 1 2 387.443 4.217 20 0 GIADLO COc1ccccc1Nc1nn(C[N@@H+]2CCSC[C@@H](C)C2)c(=S)s1 ZINC000192178477 823893687 /nfs/dbraw/zinc/89/36/87/823893687.db2.gz CFASDBXOXCHOGT-LBPRGKRZSA-N 1 2 382.580 4.069 20 0 GIADLO COc1ccccc1Nc1nn(C[N@H+]2CCSC[C@@H](C)C2)c(=S)s1 ZINC000192178477 823893699 /nfs/dbraw/zinc/89/36/99/823893699.db2.gz CFASDBXOXCHOGT-LBPRGKRZSA-N 1 2 382.580 4.069 20 0 GIADLO COc1cccc([C@H]([NH2+]CC(=O)N2CCCC[C@H]2C)c2ccccc2Cl)c1 ZINC000462245284 823894482 /nfs/dbraw/zinc/89/44/82/823894482.db2.gz IAWKRAJYPSZEAS-ZHRRBRCNSA-N 1 2 386.923 4.429 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cc(C)[nH+]c2ccccc21 ZINC000192193839 823897474 /nfs/dbraw/zinc/89/74/74/823897474.db2.gz QDWSCEMJKGSIQJ-UHFFFAOYSA-N 1 2 386.455 4.363 20 0 GIADLO COC[C@@H]([NH2+][C@H]1CCCn2nc(C(C)C)nc21)c1cccc(C(F)(F)F)c1 ZINC000167992676 823898669 /nfs/dbraw/zinc/89/86/69/823898669.db2.gz POHHVTHKVVLMEG-JKSUJKDBSA-N 1 2 382.430 4.233 20 0 GIADLO COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1Cl ZINC000168021987 823899295 /nfs/dbraw/zinc/89/92/95/823899295.db2.gz DAPWTKRZHUIBHY-IUODEOHRSA-N 1 2 378.904 4.258 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCc3cc(Br)ccc32)s1 ZINC000414077605 823903147 /nfs/dbraw/zinc/90/31/47/823903147.db2.gz QCLUYGISKXCZJD-NOZJJQNGSA-N 1 2 381.295 4.030 20 0 GIADLO O=C(NCC1(c2cccc(F)c2F)CCCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000575066639 823903394 /nfs/dbraw/zinc/90/33/94/823903394.db2.gz DHASZCYBTZREOW-UHFFFAOYSA-N 1 2 388.462 4.089 20 0 GIADLO O=C(NCC1(c2cccc(F)c2F)CCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000575066639 823903397 /nfs/dbraw/zinc/90/33/97/823903397.db2.gz DHASZCYBTZREOW-UHFFFAOYSA-N 1 2 388.462 4.089 20 0 GIADLO CC(C)([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000168533528 823903693 /nfs/dbraw/zinc/90/36/93/823903693.db2.gz LKKYOZYJROLROU-UHFFFAOYSA-N 1 2 376.382 4.033 20 0 GIADLO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1Cc1ccccc1 ZINC000126580857 823904813 /nfs/dbraw/zinc/90/48/13/823904813.db2.gz IMZHPPGIXCCQTE-VGOFRKELSA-N 1 2 376.504 4.073 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(-c2ccccn2)ccc1Cl ZINC000168833060 823906773 /nfs/dbraw/zinc/90/67/73/823906773.db2.gz STFGLMJTPOVGES-UHFFFAOYSA-N 1 2 392.890 4.327 20 0 GIADLO COC(=O)c1cnc([C@@H](C)Nc2cccc3c2CN(c2cccc[nH+]2)C3)s1 ZINC000414090852 823907073 /nfs/dbraw/zinc/90/70/73/823907073.db2.gz CWMFGUPOUPCFNJ-CYBMUJFWSA-N 1 2 380.473 4.018 20 0 GIADLO C[C@@H]1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000126594481 823907592 /nfs/dbraw/zinc/90/75/92/823907592.db2.gz BUGGFTSPQVVNGU-IAQYHMDHSA-N 1 2 377.275 4.395 20 0 GIADLO CCCSc1nsc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1 ZINC000462276253 823910206 /nfs/dbraw/zinc/91/02/06/823910206.db2.gz XFPHRMVITRWJHV-GFCCVEGCSA-N 1 2 397.595 4.012 20 0 GIADLO NC(=O)c1ccc(-c2nc(C[N@H+](Cc3ccc(F)cc3)C3CC3)cs2)cc1 ZINC000064931588 823913915 /nfs/dbraw/zinc/91/39/15/823913915.db2.gz GTOXELIJHDHWAA-UHFFFAOYSA-N 1 2 381.476 4.213 20 0 GIADLO NC(=O)c1ccc(-c2nc(C[N@@H+](Cc3ccc(F)cc3)C3CC3)cs2)cc1 ZINC000064931588 823913918 /nfs/dbraw/zinc/91/39/18/823913918.db2.gz GTOXELIJHDHWAA-UHFFFAOYSA-N 1 2 381.476 4.213 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(Br)c2)s1 ZINC000414133285 823916573 /nfs/dbraw/zinc/91/65/73/823916573.db2.gz GNKULPDIBAJQII-BDAKNGLRSA-N 1 2 387.274 4.243 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CSc1nccc2ccccc21 ZINC000192252461 823917685 /nfs/dbraw/zinc/91/76/85/823917685.db2.gz QFNWTFFVFRRDPC-UHFFFAOYSA-N 1 2 382.533 4.025 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000192255356 823918628 /nfs/dbraw/zinc/91/86/28/823918628.db2.gz DOAUUUOUBZFOBF-UHFFFAOYSA-N 1 2 386.521 4.331 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)c1cccc(Br)c1 ZINC000462309779 823920157 /nfs/dbraw/zinc/92/01/57/823920157.db2.gz CWKFDAQHRNLHFY-HNNXBMFYSA-N 1 2 392.341 4.250 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000192259148 823920115 /nfs/dbraw/zinc/92/01/15/823920115.db2.gz UTQZXNTXIROPCS-LSDHHAIUSA-N 1 2 377.891 4.280 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(Br)c1Cl ZINC000192259722 823920551 /nfs/dbraw/zinc/92/05/51/823920551.db2.gz WYNGSOLDVBPXGK-UHFFFAOYSA-N 1 2 398.732 4.414 20 0 GIADLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000575146353 823923022 /nfs/dbraw/zinc/92/30/22/823923022.db2.gz WWYYLEQSVXVTIU-HXUWFJFHSA-N 1 2 382.895 4.111 20 0 GIADLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000575146353 823923024 /nfs/dbraw/zinc/92/30/24/823923024.db2.gz WWYYLEQSVXVTIU-HXUWFJFHSA-N 1 2 382.895 4.111 20 0 GIADLO CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2[nH+]cc(C)c(OC)c2C)c1C ZINC000064998682 823923054 /nfs/dbraw/zinc/92/30/54/823923054.db2.gz AYGUIKRHPASIIW-JAIQZWGSSA-N 1 2 394.519 4.149 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1Br)c1ccn(C)n1 ZINC000414179684 823923682 /nfs/dbraw/zinc/92/36/82/823923682.db2.gz LNAQOAZPZUGQCA-VHSXEESVSA-N 1 2 387.119 4.357 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000462327720 823925964 /nfs/dbraw/zinc/92/59/64/823925964.db2.gz PNJDJGSJSOXKFC-UHFFFAOYSA-N 1 2 398.454 4.023 20 0 GIADLO Cc1cc(C)c(CN2C(=O)CN(CCc3ccc(Cl)cc3Cl)C2=O)c[nH+]1 ZINC000575160985 823927352 /nfs/dbraw/zinc/92/73/52/823927352.db2.gz LGYMTXNGSWWZLW-UHFFFAOYSA-N 1 2 392.286 4.012 20 0 GIADLO O=C(/C=C/c1nc2ccccc2s1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000126697369 823930116 /nfs/dbraw/zinc/93/01/16/823930116.db2.gz BTYVCDQGGCQPNO-CMDGGOBGSA-N 1 2 378.501 4.011 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000192280654 823931069 /nfs/dbraw/zinc/93/10/69/823931069.db2.gz PVQCAQMKEWACKP-KRWDZBQOSA-N 1 2 390.528 4.243 20 0 GIADLO Fc1ccc2c(c1Br)CC[C@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414247728 823940343 /nfs/dbraw/zinc/94/03/43/823940343.db2.gz OVVDGQDTNJECQQ-LLVKDONJSA-N 1 2 390.178 4.174 20 0 GIADLO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)cc1 ZINC000414268946 823947398 /nfs/dbraw/zinc/94/73/98/823947398.db2.gz XOICZDORYMJSBH-ZDUSSCGKSA-N 1 2 395.429 4.220 20 0 GIADLO CC(C)c1c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1ccccc1 ZINC000192334425 823950031 /nfs/dbraw/zinc/95/00/31/823950031.db2.gz OGJPNRQBTWWDEM-FXAWDEMLSA-N 1 2 392.507 4.307 20 0 GIADLO COc1ccccc1-c1nc(C2CC[NH+]([C@@H](C)c3nc(C(C)C)no3)CC2)no1 ZINC000192343338 823954249 /nfs/dbraw/zinc/95/42/49/823954249.db2.gz ZEXLANSLVGOZMD-AWEZNQCLSA-N 1 2 397.479 4.192 20 0 GIADLO FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCC=C(c4cccnc4)C3)n2)cc1 ZINC000575321457 823954650 /nfs/dbraw/zinc/95/46/50/823954650.db2.gz BPCFRFIAANJMGC-UHFFFAOYSA-N 1 2 386.377 4.440 20 0 GIADLO FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC=C(c4cccnc4)C3)n2)cc1 ZINC000575321457 823954653 /nfs/dbraw/zinc/95/46/53/823954653.db2.gz BPCFRFIAANJMGC-UHFFFAOYSA-N 1 2 386.377 4.440 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CCOc2ccc(Cl)cc2Cl)c1C ZINC000065164167 823955591 /nfs/dbraw/zinc/95/55/91/823955591.db2.gz JMBSFXBRQUMEPU-UHFFFAOYSA-N 1 2 383.275 4.099 20 0 GIADLO COCC[N@H+](Cn1nc(-c2cc(Cl)ccc2OC)[nH]c1=S)C1CCCC1 ZINC000065188518 823958378 /nfs/dbraw/zinc/95/83/78/823958378.db2.gz VGXYOXPGMJVTFD-UHFFFAOYSA-N 1 2 396.944 4.118 20 0 GIADLO COCC[N@@H+](Cn1nc(-c2cc(Cl)ccc2OC)[nH]c1=S)C1CCCC1 ZINC000065188518 823958379 /nfs/dbraw/zinc/95/83/79/823958379.db2.gz VGXYOXPGMJVTFD-UHFFFAOYSA-N 1 2 396.944 4.118 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000126863903 823969002 /nfs/dbraw/zinc/96/90/02/823969002.db2.gz JTMDMMQUHHZGHX-QAPCUYQASA-N 1 2 391.471 4.237 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000126863903 823969007 /nfs/dbraw/zinc/96/90/07/823969007.db2.gz JTMDMMQUHHZGHX-QAPCUYQASA-N 1 2 391.471 4.237 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cnc(-c4ccccn4)s3)n2)C1 ZINC000170780574 823969971 /nfs/dbraw/zinc/96/99/71/823969971.db2.gz LWBWKDBDZWWURT-ZDUSSCGKSA-N 1 2 399.545 4.146 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cnc(-c4ccccn4)s3)n2)C1 ZINC000170780574 823969976 /nfs/dbraw/zinc/96/99/76/823969976.db2.gz LWBWKDBDZWWURT-ZDUSSCGKSA-N 1 2 399.545 4.146 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)cs2)cc1OC ZINC000575612168 823979405 /nfs/dbraw/zinc/97/94/05/823979405.db2.gz NPQFQODBUAFVQB-HKUYNNGSSA-N 1 2 388.533 4.217 20 0 GIADLO COc1ccc(-c2nc(C[N@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)cs2)cc1OC ZINC000575612168 823979410 /nfs/dbraw/zinc/97/94/10/823979410.db2.gz NPQFQODBUAFVQB-HKUYNNGSSA-N 1 2 388.533 4.217 20 0 GIADLO Cc1nc(C)c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000575637036 823982008 /nfs/dbraw/zinc/98/20/08/823982008.db2.gz CNXNBHUEAMPZFP-CABCVRRESA-N 1 2 382.892 4.119 20 0 GIADLO Cc1nc(C)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000575637036 823982011 /nfs/dbraw/zinc/98/20/11/823982011.db2.gz CNXNBHUEAMPZFP-CABCVRRESA-N 1 2 382.892 4.119 20 0 GIADLO O=C(Nc1cc(Cl)c(F)c(Cl)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000192422711 823985336 /nfs/dbraw/zinc/98/53/36/823985336.db2.gz LJCOJWGRSWEYAL-UHFFFAOYSA-N 1 2 383.254 4.318 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000192422995 823985463 /nfs/dbraw/zinc/98/54/63/823985463.db2.gz ONJRGYXWNYAVCU-NSHDSACASA-N 1 2 385.270 4.353 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N(CC1CC1)C1CCCCC1 ZINC000170838618 823985708 /nfs/dbraw/zinc/98/57/08/823985708.db2.gz OFWPLNACPPWFHB-UHFFFAOYSA-N 1 2 380.536 4.228 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2cc(Br)ccc2F)c2cccc(F)c2)cn1 ZINC000575767514 823989256 /nfs/dbraw/zinc/98/92/56/823989256.db2.gz YHRFIPNMBYOFPO-GOSISDBHSA-N 1 2 392.247 4.340 20 0 GIADLO Cc1ccnc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000575784261 823994218 /nfs/dbraw/zinc/99/42/18/823994218.db2.gz KDNYRDODRMEESK-VGSWGCGISA-N 1 2 380.513 4.234 20 0 GIADLO CC1CCC([N@H+](C)Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000170870884 823995725 /nfs/dbraw/zinc/99/57/25/823995725.db2.gz KPITWDPUXYJAKY-UHFFFAOYSA-N 1 2 378.563 4.224 20 0 GIADLO CC1CCC([N@@H+](C)Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000170870884 823995732 /nfs/dbraw/zinc/99/57/32/823995732.db2.gz KPITWDPUXYJAKY-UHFFFAOYSA-N 1 2 378.563 4.224 20 0 GIADLO Cc1nc(COc2ccc(C[NH2+]Cc3nccc(C(F)(F)F)n3)cc2)cs1 ZINC000414500165 823996626 /nfs/dbraw/zinc/99/66/26/823996626.db2.gz BSPZIYVSDMFQIV-UHFFFAOYSA-N 1 2 394.422 4.129 20 0 GIADLO COc1ccc(C[NH2+]Cc2cnccc2C(C)(C)C)c(Br)c1O ZINC000414505062 823997554 /nfs/dbraw/zinc/99/75/54/823997554.db2.gz ZHUIUFRTBYIOBR-UHFFFAOYSA-N 1 2 379.298 4.146 20 0 GIADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000170883305 823999854 /nfs/dbraw/zinc/99/98/54/823999854.db2.gz PFQFEHYMKGOCQZ-LLVKDONJSA-N 1 2 385.270 4.437 20 0 GIADLO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)NCCCn1cc[nH+]c1 ZINC000575810615 824001673 /nfs/dbraw/zinc/00/16/73/824001673.db2.gz RANXOVOMOILOIV-KRWDZBQOSA-N 1 2 396.457 4.249 20 0 GIADLO O=C(NCc1ccc(COc2ccccc2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000170898179 824002832 /nfs/dbraw/zinc/00/28/32/824002832.db2.gz YTDDKPLSMAKTPL-UHFFFAOYSA-N 1 2 390.487 4.009 20 0 GIADLO FC(F)Oc1ccc([C@H]([NH2+]Cc2nnc3n2CCCCC3)c2ccccc2)cc1 ZINC000170906163 824003742 /nfs/dbraw/zinc/00/37/42/824003742.db2.gz VAUDVPCWSULHAX-OAQYLSRUSA-N 1 2 398.457 4.485 20 0 GIADLO Cc1cc(C)c(NC(=O)CCCCC(=O)Nc2c(C)cc(C)[nH+]c2C)c(C)n1 ZINC000170930348 824007201 /nfs/dbraw/zinc/00/72/01/824007201.db2.gz NKDOOALZTBLREP-UHFFFAOYSA-N 1 2 382.508 4.465 20 0 GIADLO c1ccc2c(C[N@@H+]3CCCC[C@H]3c3nnc(C4CCOCC4)o3)ccnc2c1 ZINC000575838074 824008892 /nfs/dbraw/zinc/00/88/92/824008892.db2.gz ZMWUSRYDDATGFL-FQEVSTJZSA-N 1 2 378.476 4.239 20 0 GIADLO c1ccc2c(C[N@H+]3CCCC[C@H]3c3nnc(C4CCOCC4)o3)ccnc2c1 ZINC000575838074 824008899 /nfs/dbraw/zinc/00/88/99/824008899.db2.gz ZMWUSRYDDATGFL-FQEVSTJZSA-N 1 2 378.476 4.239 20 0 GIADLO Cc1oc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1C1CC1 ZINC000575841448 824009643 /nfs/dbraw/zinc/00/96/43/824009643.db2.gz QZHJEAGWCOYHPJ-WBVHZDCISA-N 1 2 392.862 4.220 20 0 GIADLO Cc1oc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1C1CC1 ZINC000575841448 824009650 /nfs/dbraw/zinc/00/96/50/824009650.db2.gz QZHJEAGWCOYHPJ-WBVHZDCISA-N 1 2 392.862 4.220 20 0 GIADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000170960141 824019563 /nfs/dbraw/zinc/01/95/63/824019563.db2.gz SZDMSMQWVLKRQV-UHFFFAOYSA-N 1 2 392.931 4.058 20 0 GIADLO COc1ccc([C@@H]([NH2+]Cc2nc(COc3ccc(F)cc3)no2)C2CC2)cc1 ZINC000192555753 824030605 /nfs/dbraw/zinc/03/06/05/824030605.db2.gz REIYMIRKIUIYEJ-NRFANRHFSA-N 1 2 383.423 4.037 20 0 GIADLO Cc1cc(C)c(NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)c(C)[nH+]1 ZINC000171001062 824033411 /nfs/dbraw/zinc/03/34/11/824033411.db2.gz QTFDMCXBMMJWFF-UHFFFAOYSA-N 1 2 381.457 4.154 20 0 GIADLO O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171040661 824044976 /nfs/dbraw/zinc/04/49/76/824044976.db2.gz SSYCIZCLVNSOPK-UHFFFAOYSA-N 1 2 381.848 4.297 20 0 GIADLO Cc1cc(C)c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c(C)[nH+]1 ZINC000097213778 211362772 /nfs/dbraw/zinc/36/27/72/211362772.db2.gz SWRBBIPIDVTCGA-UHFFFAOYSA-N 1 2 399.450 4.055 20 0 GIADLO Clc1cnc(Cl)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1Cl ZINC001164730446 720390182 /nfs/dbraw/zinc/39/01/82/720390182.db2.gz XKVKDXCJVRJSAH-KGLIPLIRSA-N 1 2 383.710 4.290 20 0 GIADLO Clc1cnc(Cl)c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1Cl ZINC001164730446 720390189 /nfs/dbraw/zinc/39/01/89/720390189.db2.gz XKVKDXCJVRJSAH-KGLIPLIRSA-N 1 2 383.710 4.290 20 0 GIADLO CC(C)[C@H]1C[C@]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)(C(=O)[O-])c2ccccc21 ZINC000570534624 823050672 /nfs/dbraw/zinc/05/06/72/823050672.db2.gz VMCJYKYHZJLIKG-NFBKMPQASA-N 1 2 375.472 4.085 20 0 GIADLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(C3(c4ccccc4)CCOCC3)no2)c1 ZINC000570550349 823052953 /nfs/dbraw/zinc/05/29/53/823052953.db2.gz DVOKXQWHTBJUDQ-UHFFFAOYSA-N 1 2 386.455 4.327 20 0 GIADLO COc1c(Br)cccc1C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000187381206 823053036 /nfs/dbraw/zinc/05/30/36/823053036.db2.gz DXBAVZQHHRYKMQ-UHFFFAOYSA-N 1 2 386.293 4.432 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120728305 823053440 /nfs/dbraw/zinc/05/34/40/823053440.db2.gz LXELGRYKCNFIHA-FQEVSTJZSA-N 1 2 395.547 4.063 20 0 GIADLO CCCC[N@@H+]1Cc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C1 ZINC000570561008 823054914 /nfs/dbraw/zinc/05/49/14/823054914.db2.gz QPRZSORZKLCWSH-UHFFFAOYSA-N 1 2 394.924 4.265 20 0 GIADLO CCCC[N@H+]1Cc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C1 ZINC000570561008 823054920 /nfs/dbraw/zinc/05/49/20/823054920.db2.gz QPRZSORZKLCWSH-UHFFFAOYSA-N 1 2 394.924 4.265 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2nnc(C)n2C2CC2)ccc1OCc1ccccc1 ZINC000120828313 823072524 /nfs/dbraw/zinc/07/25/24/823072524.db2.gz BMFCDKORPHTMOU-INIZCTEOSA-N 1 2 392.503 4.360 20 0 GIADLO CC(=O)Nc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccc1F ZINC000055996976 823076385 /nfs/dbraw/zinc/07/63/85/823076385.db2.gz WHRBSJKLDUOBGL-UHFFFAOYSA-N 1 2 392.434 4.236 20 0 GIADLO O=C(CCC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cc(Cl)sc1Cl ZINC000120882778 823081718 /nfs/dbraw/zinc/08/17/18/823081718.db2.gz PTYNZBAPCBOKOQ-LBPRGKRZSA-N 1 2 399.299 4.093 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCc2cc(Cl)cc(Cl)c2)C1 ZINC000120940623 823090201 /nfs/dbraw/zinc/09/02/01/823090201.db2.gz XWCAMJMHDQEIDZ-OAHLLOKOSA-N 1 2 380.319 4.141 20 0 GIADLO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175996370 823091509 /nfs/dbraw/zinc/09/15/09/823091509.db2.gz XDGXAWYGBFJRHS-LJQANCHMSA-N 1 2 397.906 4.101 20 0 GIADLO O=C(NCc1ccc2c(c1)CCO2)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000570838846 823093889 /nfs/dbraw/zinc/09/38/89/823093889.db2.gz ZMGSKGWPPFGPER-UHFFFAOYSA-N 1 2 388.471 4.143 20 0 GIADLO Cc1oc2ccccc2c1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000570854234 823096058 /nfs/dbraw/zinc/09/60/58/823096058.db2.gz RPYOTDRJIJYTHA-IBGZPJMESA-N 1 2 375.428 4.365 20 0 GIADLO Cc1oc2ccccc2c1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000570854234 823096060 /nfs/dbraw/zinc/09/60/60/823096060.db2.gz RPYOTDRJIJYTHA-IBGZPJMESA-N 1 2 375.428 4.365 20 0 GIADLO COc1ccc2c(c1)nc(C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)n2C ZINC000570859216 823097005 /nfs/dbraw/zinc/09/70/05/823097005.db2.gz XPHRKYBGQBESMG-UHFFFAOYSA-N 1 2 393.318 4.245 20 0 GIADLO O=C(NC1CC1)[C@H]([NH2+]Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000056184998 823098173 /nfs/dbraw/zinc/09/81/73/823098173.db2.gz IZJRQSFLONMLFF-XMMPIXPASA-N 1 2 386.495 4.375 20 0 GIADLO O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000458855304 823098225 /nfs/dbraw/zinc/09/82/25/823098225.db2.gz ZBHZTYKSACAOCL-JKSUJKDBSA-N 1 2 380.414 4.035 20 0 GIADLO CC(=O)Nc1sc(NCc2c[nH+]c3c(C)cccn23)nc1-c1ccccc1 ZINC000187619002 823098758 /nfs/dbraw/zinc/09/87/58/823098758.db2.gz JZPRXEVOOPUVFG-UHFFFAOYSA-N 1 2 377.473 4.337 20 0 GIADLO C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000176028513 823099516 /nfs/dbraw/zinc/09/95/16/823099516.db2.gz YBVYRRSEXDONEZ-BXKMTCNYSA-N 1 2 389.499 4.380 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]Cc1cccc(C)n1)c1ccccc1 ZINC000056202046 823101893 /nfs/dbraw/zinc/10/18/93/823101893.db2.gz LDQAIWQUHHYSBA-QFIPXVFZSA-N 1 2 375.472 4.177 20 0 GIADLO CCCO[C@H]1CCCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000458890547 823102283 /nfs/dbraw/zinc/10/22/83/823102283.db2.gz UQGCOOWIYWFXAC-INIZCTEOSA-N 1 2 390.915 4.016 20 0 GIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCCCC2(F)F)c(C)c1 ZINC000570901734 823105226 /nfs/dbraw/zinc/10/52/26/823105226.db2.gz SWCXHTWLPVHURB-IEBWSBKVSA-N 1 2 390.478 4.366 20 0 GIADLO CCOc1cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)ccc1OC(F)F ZINC000187657034 823106638 /nfs/dbraw/zinc/10/66/38/823106638.db2.gz QJKVQYLPRCFDGH-UHFFFAOYSA-N 1 2 381.341 4.030 20 0 GIADLO Cc1coc(-c2ccc(C)c(NC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2)n1 ZINC000121068108 823112291 /nfs/dbraw/zinc/11/22/91/823112291.db2.gz MQOZIKPJEHLONN-GOSISDBHSA-N 1 2 378.432 4.039 20 0 GIADLO CC(C)=CCC[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1scnc1C ZINC000459005178 823115558 /nfs/dbraw/zinc/11/55/58/823115558.db2.gz HFARCGHAQNUAPZ-SZMVWBNQSA-N 1 2 396.576 4.140 20 0 GIADLO CC(C)=CCC[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1scnc1C ZINC000459005178 823115559 /nfs/dbraw/zinc/11/55/59/823115559.db2.gz HFARCGHAQNUAPZ-SZMVWBNQSA-N 1 2 396.576 4.140 20 0 GIADLO CCn1c(=S)n(C[N@H+](C)C[C@@H]2CCOC2)nc1-c1ccc(C(C)(C)C)cc1 ZINC000176099870 823119874 /nfs/dbraw/zinc/11/98/74/823119874.db2.gz HVWSEXGAMUPMGO-INIZCTEOSA-N 1 2 388.581 4.324 20 0 GIADLO CCn1c(=S)n(C[N@@H+](C)C[C@@H]2CCOC2)nc1-c1ccc(C(C)(C)C)cc1 ZINC000176099870 823119878 /nfs/dbraw/zinc/11/98/78/823119878.db2.gz HVWSEXGAMUPMGO-INIZCTEOSA-N 1 2 388.581 4.324 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2OC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000121115016 823121314 /nfs/dbraw/zinc/12/13/14/823121314.db2.gz JRSYDVJREIORRB-DNVCBOLYSA-N 1 2 386.471 4.459 20 0 GIADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000571049192 823124858 /nfs/dbraw/zinc/12/48/58/823124858.db2.gz FKRPSLBFILLAQA-DLBZAZTESA-N 1 2 381.451 4.430 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c[nH+]1 ZINC000459081958 823125451 /nfs/dbraw/zinc/12/54/51/823125451.db2.gz RFXRUEZBHOOAGS-LJQANCHMSA-N 1 2 391.475 4.185 20 0 GIADLO C[NH+](C)[C@H](c1nc(Cc2cc(Br)cs2)no1)c1ccccc1 ZINC000571068781 823127467 /nfs/dbraw/zinc/12/74/67/823127467.db2.gz PCOZVBQMAXHBJE-HNNXBMFYSA-N 1 2 378.295 4.135 20 0 GIADLO O=C(/C=C/c1ccc[nH]1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000187773578 823130033 /nfs/dbraw/zinc/13/00/33/823130033.db2.gz AIAVGWMIIBAKKV-VAWYXSNFSA-N 1 2 382.467 4.256 20 0 GIADLO O=C(NCCC1CC(F)(F)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000459129395 823131895 /nfs/dbraw/zinc/13/18/95/823131895.db2.gz DKCOOIYDLBDXJP-UHFFFAOYSA-N 1 2 396.869 4.184 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)[C@H]2CCSC2)cs1)c1ccc(C)cc1C ZINC000121179246 823133202 /nfs/dbraw/zinc/13/32/02/823133202.db2.gz WPOLDQKXHQCWPS-KRWDZBQOSA-N 1 2 375.563 4.382 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)[C@H]2CCSC2)cs1)c1ccc(C)cc1C ZINC000121179246 823133204 /nfs/dbraw/zinc/13/32/04/823133204.db2.gz WPOLDQKXHQCWPS-KRWDZBQOSA-N 1 2 375.563 4.382 20 0 GIADLO COc1cc2c(cc1Cl)C[N@H+](Cc1ccc(Cl)cc1-n1cncn1)CC2 ZINC000571109965 823133635 /nfs/dbraw/zinc/13/36/35/823133635.db2.gz NGFCITRPOKZXFY-UHFFFAOYSA-N 1 2 389.286 4.141 20 0 GIADLO COc1cc2c(cc1Cl)C[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)CC2 ZINC000571109965 823133637 /nfs/dbraw/zinc/13/36/37/823133637.db2.gz NGFCITRPOKZXFY-UHFFFAOYSA-N 1 2 389.286 4.141 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C3CCCC3)C(F)(F)F)cn2c1 ZINC000176143320 823134392 /nfs/dbraw/zinc/13/43/92/823134392.db2.gz BJQQIBRKBRHJFD-KRWDZBQOSA-N 1 2 385.455 4.113 20 0 GIADLO Cc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)n1[C@@H](C)c1ccccc1 ZINC000121201866 823137635 /nfs/dbraw/zinc/13/76/35/823137635.db2.gz ONXYEQFNAIWYAD-PGRDOPGGSA-N 1 2 389.499 4.403 20 0 GIADLO Cc1coc(-c2ccc(C)c(NC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2)n1 ZINC000121210150 823139413 /nfs/dbraw/zinc/13/94/13/823139413.db2.gz YPBXUBHBTRMHST-KXBFYZLASA-N 1 2 379.464 4.270 20 0 GIADLO CC1CCN(c2nnc(SCc3ccc(-n4cc[nH+]c4)cc3)n2C2CC2)CC1 ZINC000187837535 823143558 /nfs/dbraw/zinc/14/35/58/823143558.db2.gz VOZQHMKTGVLRTF-UHFFFAOYSA-N 1 2 394.548 4.327 20 0 GIADLO CC[C@](C)([NH2+]Cc1ccc(C(=O)OC)cc1Br)c1nccs1 ZINC000571185857 823145565 /nfs/dbraw/zinc/14/55/65/823145565.db2.gz GXODSNVVTPGWKO-INIZCTEOSA-N 1 2 383.311 4.107 20 0 GIADLO O=C(Nc1ccc(-n2cccn2)cc1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000121269195 823151907 /nfs/dbraw/zinc/15/19/07/823151907.db2.gz HZRWYCKCKPYDIE-FGZHOGPDSA-N 1 2 398.470 4.119 20 0 GIADLO Cc1ccc(-c2ccc(C)c(NC(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)c2)o1 ZINC000571238823 823153408 /nfs/dbraw/zinc/15/34/08/823153408.db2.gz MVISVEKVIGWZLZ-HXUWFJFHSA-N 1 2 397.519 4.282 20 0 GIADLO CCCCn1nc(C)c(C[N@H+](C)Cc2ccccc2N2CCOCC2)c1Cl ZINC000121279407 823153599 /nfs/dbraw/zinc/15/35/99/823153599.db2.gz UFIJGDIUBXKUIH-UHFFFAOYSA-N 1 2 390.959 4.114 20 0 GIADLO CCCCn1nc(C)c(C[N@@H+](C)Cc2ccccc2N2CCOCC2)c1Cl ZINC000121279407 823153601 /nfs/dbraw/zinc/15/36/01/823153601.db2.gz UFIJGDIUBXKUIH-UHFFFAOYSA-N 1 2 390.959 4.114 20 0 GIADLO c1cc([C@@H]2CCC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)[nH]n1 ZINC000121282933 823154532 /nfs/dbraw/zinc/15/45/32/823154532.db2.gz JLTLLOKVKYALFC-LJQANCHMSA-N 1 2 375.520 4.328 20 0 GIADLO c1cc([C@@H]2CCC[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)[nH]n1 ZINC000121282933 823154535 /nfs/dbraw/zinc/15/45/35/823154535.db2.gz JLTLLOKVKYALFC-LJQANCHMSA-N 1 2 375.520 4.328 20 0 GIADLO O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121295806 823157245 /nfs/dbraw/zinc/15/72/45/823157245.db2.gz FJGDHKBGFXITKI-FQEVSTJZSA-N 1 2 379.847 4.091 20 0 GIADLO Cc1ccc(C)c(SCc2cccc(C(=O)NCCc3c[nH+]cn3C)c2)c1 ZINC000121305130 823159553 /nfs/dbraw/zinc/15/95/53/823159553.db2.gz VCJQEUZOTMVFIJ-UHFFFAOYSA-N 1 2 379.529 4.302 20 0 GIADLO COCC[N@H+](Cc1ncccc1C(=O)OC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000459320500 823160965 /nfs/dbraw/zinc/16/09/65/823160965.db2.gz FUYWUSBQYDDJTL-AWEZNQCLSA-N 1 2 396.409 4.097 20 0 GIADLO COCC[N@@H+](Cc1ncccc1C(=O)OC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000459320500 823160971 /nfs/dbraw/zinc/16/09/71/823160971.db2.gz FUYWUSBQYDDJTL-AWEZNQCLSA-N 1 2 396.409 4.097 20 0 GIADLO Cc1nc2ccc(NC(=O)N[C@@H]3c4ccccc4CC[C@H]3n3cc[nH+]c3)cc2o1 ZINC000121328292 823164071 /nfs/dbraw/zinc/16/40/71/823164071.db2.gz MLGULHGCZRUSHH-TZIWHRDSSA-N 1 2 387.443 4.383 20 0 GIADLO COCc1cc(C[N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)no1 ZINC000459346830 823167382 /nfs/dbraw/zinc/16/73/82/823167382.db2.gz BXBJVYWLGPUYFH-INIZCTEOSA-N 1 2 388.512 4.097 20 0 GIADLO COCc1cc(C[N@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)no1 ZINC000459346830 823167384 /nfs/dbraw/zinc/16/73/84/823167384.db2.gz BXBJVYWLGPUYFH-INIZCTEOSA-N 1 2 388.512 4.097 20 0 GIADLO CCc1c(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)onc1C(F)(F)F ZINC000571340993 823167901 /nfs/dbraw/zinc/16/79/01/823167901.db2.gz HCVQGBARJMCNEM-GFCCVEGCSA-N 1 2 375.778 4.151 20 0 GIADLO CCN(Cc1ccccc1Cl)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000571346714 823168600 /nfs/dbraw/zinc/16/86/00/823168600.db2.gz BSMBUMPWRUFNNP-UHFFFAOYSA-N 1 2 382.895 4.317 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@@H+]3CC[C@](C)(c4ccc(C)cc4)C3)nc2c1 ZINC000571362262 823171371 /nfs/dbraw/zinc/17/13/71/823171371.db2.gz QQJJGRKULAYJIK-QFIPXVFZSA-N 1 2 398.528 4.093 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@H+]3CC[C@](C)(c4ccc(C)cc4)C3)nc2c1 ZINC000571362262 823171372 /nfs/dbraw/zinc/17/13/72/823171372.db2.gz QQJJGRKULAYJIK-QFIPXVFZSA-N 1 2 398.528 4.093 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000056566300 823171445 /nfs/dbraw/zinc/17/14/45/823171445.db2.gz HQQDDZCLVNNALI-UHFFFAOYSA-N 1 2 389.912 4.186 20 0 GIADLO Oc1cccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c1Br ZINC000459368860 823174459 /nfs/dbraw/zinc/17/44/59/823174459.db2.gz DJWIVHXCTSWWMN-UHFFFAOYSA-N 1 2 398.684 4.259 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2cccc(O)c2Br)cc(OC)c1OC ZINC000459378276 823177293 /nfs/dbraw/zinc/17/72/93/823177293.db2.gz QIZIWBJPTAYYAX-LLVKDONJSA-N 1 2 396.281 4.031 20 0 GIADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000176293947 823174632 /nfs/dbraw/zinc/17/46/32/823174632.db2.gz YZVWBPDGGIJURQ-UHFFFAOYSA-N 1 2 378.303 4.475 20 0 GIADLO COC(=O)c1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c(C)o1 ZINC000571380829 823175217 /nfs/dbraw/zinc/17/52/17/823175217.db2.gz ASKKDQUMVVUCHS-KPZWWZAWSA-N 1 2 397.393 4.355 20 0 GIADLO COC(=O)c1cc(C[N@H+]2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c(C)o1 ZINC000571380829 823175218 /nfs/dbraw/zinc/17/52/18/823175218.db2.gz ASKKDQUMVVUCHS-KPZWWZAWSA-N 1 2 397.393 4.355 20 0 GIADLO COCc1cc(C[NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)no1 ZINC000459397907 823183107 /nfs/dbraw/zinc/18/31/07/823183107.db2.gz HYDGVRDKAUZJPW-HWPZZCPQSA-N 1 2 383.311 4.156 20 0 GIADLO C[C@H](c1cccc(NC(=O)NC2CCC(C(F)F)CC2)c1)[NH+]1CCOCC1 ZINC000459391869 823181440 /nfs/dbraw/zinc/18/14/40/823181440.db2.gz VUJSXDDYZNKWJM-HPUBIQBYSA-N 1 2 381.467 4.025 20 0 GIADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)NC1CC(C(F)(F)F)C1 ZINC000571544989 823198540 /nfs/dbraw/zinc/19/85/40/823198540.db2.gz GZIZCFHCLDCJDQ-UHFFFAOYSA-N 1 2 376.382 4.064 20 0 GIADLO C[C@H](CNC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)Cn1cc[nH+]c1 ZINC000176400547 823200002 /nfs/dbraw/zinc/20/00/02/823200002.db2.gz IAJZYCOOEZOSLO-QGZVFWFLSA-N 1 2 397.906 4.111 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)c2)oc1C ZINC000056739265 823204027 /nfs/dbraw/zinc/20/40/27/823204027.db2.gz VKDWRBRHHLJODO-SFHVURJKSA-N 1 2 381.480 4.391 20 0 GIADLO O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121554951 823204910 /nfs/dbraw/zinc/20/49/10/823204910.db2.gz XOZUFFLNVHTGDI-CYBMUJFWSA-N 1 2 376.243 4.163 20 0 GIADLO C[C@H]1CCc2onc(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)c2C1 ZINC000571603814 823206351 /nfs/dbraw/zinc/20/63/51/823206351.db2.gz PHZKCCYVDLYOKP-AWEZNQCLSA-N 1 2 376.460 4.252 20 0 GIADLO CCOc1cc(CNc2cccc[nH+]2)ccc1OCC(=O)Nc1ccccc1 ZINC000121566169 823207006 /nfs/dbraw/zinc/20/70/06/823207006.db2.gz ZGHNLFMNAWKEIG-UHFFFAOYSA-N 1 2 377.444 4.110 20 0 GIADLO Fc1ccc([C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)c2ncc[nH]2)cc1 ZINC000188235465 823207420 /nfs/dbraw/zinc/20/74/20/823207420.db2.gz JNMYLDKNWSZTCC-HNNXBMFYSA-N 1 2 381.238 4.009 20 0 GIADLO Cc1cc(C)c(NC(=O)C[NH+]2CCC3(CC2)OCCc2ccccc23)c(Cl)c1 ZINC000459510331 823207793 /nfs/dbraw/zinc/20/77/93/823207793.db2.gz CNSKERXVOMELTC-UHFFFAOYSA-N 1 2 398.934 4.459 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000176442924 823208718 /nfs/dbraw/zinc/20/87/18/823208718.db2.gz UXDCLQOETZSXGT-UHFFFAOYSA-N 1 2 392.455 4.465 20 0 GIADLO Cc1cccc(-c2noc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCC3)n2)c1 ZINC000459538957 823215303 /nfs/dbraw/zinc/21/53/03/823215303.db2.gz WCCIXOASZHUZJG-NRFANRHFSA-N 1 2 377.488 4.429 20 0 GIADLO COc1ccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2csc(N(C(C)=O)C3CC3)n2)cc1 ZINC000121653659 823223112 /nfs/dbraw/zinc/22/31/12/823223112.db2.gz GOYNJPWWBVKLKB-XOBRGWDASA-N 1 2 385.533 4.250 20 0 GIADLO COc1ccc([C@@H]2C[C@H](C)C[N@H+]2Cc2csc(N(C(C)=O)C3CC3)n2)cc1 ZINC000121653659 823223117 /nfs/dbraw/zinc/22/31/17/823223117.db2.gz GOYNJPWWBVKLKB-XOBRGWDASA-N 1 2 385.533 4.250 20 0 GIADLO CS(=O)(=O)CC1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459564947 823221636 /nfs/dbraw/zinc/22/16/36/823221636.db2.gz WTJVZNOTSWROHY-YVMONPNESA-N 1 2 399.556 4.035 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000459591564 823226329 /nfs/dbraw/zinc/22/63/29/823226329.db2.gz LRUBKVUJGWFUOR-LJQANCHMSA-N 1 2 382.895 4.303 20 0 GIADLO CNC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000459591564 823226333 /nfs/dbraw/zinc/22/63/33/823226333.db2.gz LRUBKVUJGWFUOR-LJQANCHMSA-N 1 2 382.895 4.303 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000056896047 823229671 /nfs/dbraw/zinc/22/96/71/823229671.db2.gz VMLNBMHDRRNQMG-QGZVFWFLSA-N 1 2 388.393 4.365 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)[C@H](C)c3nc(-c4ccc(F)c(C)c4)no3)[nH+]c12 ZINC000176531697 823230560 /nfs/dbraw/zinc/23/05/60/823230560.db2.gz HVGZNSPASILLQX-GMYLUUGSSA-N 1 2 398.463 4.150 20 0 GIADLO Cc1cccn2cc(C[S@](=O)[C@H](C)c3nc(-c4ccc(C)c(F)c4)no3)[nH+]c12 ZINC000176531103 823230588 /nfs/dbraw/zinc/23/05/88/823230588.db2.gz RDKHMZOCRGWVLK-SUMNFNSASA-N 1 2 398.463 4.150 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3c(F)c(F)cc(F)c3F)n2)CC1 ZINC000176534645 823231382 /nfs/dbraw/zinc/23/13/82/823231382.db2.gz NTMDTCBXGYMTKT-UHFFFAOYSA-N 1 2 387.402 4.184 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)[C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)[nH+]c12 ZINC000176537423 823231973 /nfs/dbraw/zinc/23/19/73/823231973.db2.gz VBCRPTRBEPDVRV-DEXQXJORSA-N 1 2 397.544 4.216 20 0 GIADLO COc1cc(Br)c(C[NH2+][C@@H](C)c2cc(C)ccc2OC)cc1O ZINC000459645903 823237446 /nfs/dbraw/zinc/23/74/46/823237446.db2.gz ATSOPOSQUSSEKG-LBPRGKRZSA-N 1 2 380.282 4.331 20 0 GIADLO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409504594 823236086 /nfs/dbraw/zinc/23/60/86/823236086.db2.gz SXYBVXURLIZOCC-GOSISDBHSA-N 1 2 396.466 4.426 20 0 GIADLO COc1ccc(C[NH+]2CC(C)(CC(F)(F)F)C2)c(OCc2cccnc2)c1 ZINC000459644165 823236716 /nfs/dbraw/zinc/23/67/16/823236716.db2.gz WCIBWBMBTZSQJI-UHFFFAOYSA-N 1 2 380.410 4.444 20 0 GIADLO Cn1c[nH+]cc1CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000188418842 823238269 /nfs/dbraw/zinc/23/82/69/823238269.db2.gz GXQHXYCHEKJWLH-UHFFFAOYSA-N 1 2 380.414 4.001 20 0 GIADLO Cc1ccccc1C1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000121739829 823240734 /nfs/dbraw/zinc/24/07/34/823240734.db2.gz PJUPQCWXRULNRZ-UHFFFAOYSA-N 1 2 377.532 4.377 20 0 GIADLO CC[C@@H]([NH2+]Cc1nnc2ccccn21)c1ccc(Br)cc1Cl ZINC000188440842 823241406 /nfs/dbraw/zinc/24/14/06/823241406.db2.gz HQYRKRNVILAJPI-CQSZACIVSA-N 1 2 379.689 4.386 20 0 GIADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000188491893 823249914 /nfs/dbraw/zinc/24/99/14/823249914.db2.gz RRNZJHSFUASOIL-UHFFFAOYSA-N 1 2 385.414 4.184 20 0 GIADLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)[nH]1 ZINC000459701133 823253003 /nfs/dbraw/zinc/25/30/03/823253003.db2.gz KNYGSDSPUJJGEG-UHFFFAOYSA-N 1 2 397.910 4.298 20 0 GIADLO CCc1nc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)sc1C(C)(C)C ZINC000459707527 823254504 /nfs/dbraw/zinc/25/45/04/823254504.db2.gz QUKQCPNRONPNNP-AWEZNQCLSA-N 1 2 389.569 4.223 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc(Br)cc1 ZINC000409582758 823254670 /nfs/dbraw/zinc/25/46/70/823254670.db2.gz CBVUOSNLAMHJOT-UHFFFAOYSA-N 1 2 389.228 4.096 20 0 GIADLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)[nH]1 ZINC000459717911 823255709 /nfs/dbraw/zinc/25/57/09/823255709.db2.gz WXNJQULWOUZWBV-UHFFFAOYSA-N 1 2 397.910 4.298 20 0 GIADLO Clc1ccc(OCc2nc(C[N@@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)cs2)cc1 ZINC000459731817 823258142 /nfs/dbraw/zinc/25/81/42/823258142.db2.gz TZRSWRKUPBBYDY-MSOLQXFVSA-N 1 2 390.936 4.376 20 0 GIADLO Clc1ccc(OCc2nc(C[N@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)cs2)cc1 ZINC000459731817 823258147 /nfs/dbraw/zinc/25/81/47/823258147.db2.gz TZRSWRKUPBBYDY-MSOLQXFVSA-N 1 2 390.936 4.376 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409624039 823264941 /nfs/dbraw/zinc/26/49/41/823264941.db2.gz TVPJUGGCURHZHE-GOSISDBHSA-N 1 2 394.510 4.155 20 0 GIADLO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[NH2+][C@H](C)c3ccn(C)n3)ccc21 ZINC000459786798 823265038 /nfs/dbraw/zinc/26/50/38/823265038.db2.gz KYFOFDIMPFSZJB-CVEARBPZSA-N 1 2 389.503 4.226 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F ZINC000003540936 817481239 /nfs/dbraw/zinc/48/12/39/817481239.db2.gz PHXHOVHRWXENHM-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F ZINC000003540936 817481242 /nfs/dbraw/zinc/48/12/42/817481242.db2.gz PHXHOVHRWXENHM-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000176684094 823267033 /nfs/dbraw/zinc/26/70/33/823267033.db2.gz IJHARQYPFNPJPC-UHFFFAOYSA-N 1 2 392.463 4.023 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1nc2c(s1)CCCCC2 ZINC000409632241 823267465 /nfs/dbraw/zinc/26/74/65/823267465.db2.gz OHALNGVXAWMTAR-UHFFFAOYSA-N 1 2 385.468 4.059 20 0 GIADLO CC(C)Sc1ccccc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000057274181 823274448 /nfs/dbraw/zinc/27/44/48/823274448.db2.gz VYCIDTDINZALLO-UHFFFAOYSA-N 1 2 383.561 4.187 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)sc2C1 ZINC000121916899 823276477 /nfs/dbraw/zinc/27/64/77/823276477.db2.gz BFSFQNBMQXUVRL-UHFFFAOYSA-N 1 2 384.892 4.099 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)sc2C1 ZINC000121916899 823276479 /nfs/dbraw/zinc/27/64/79/823276479.db2.gz BFSFQNBMQXUVRL-UHFFFAOYSA-N 1 2 384.892 4.099 20 0 GIADLO O=C(C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1)Nc1cccc2ccccc21 ZINC000121946730 823282590 /nfs/dbraw/zinc/28/25/90/823282590.db2.gz AFJXOCHYIKJWEK-UHFFFAOYSA-N 1 2 388.467 4.079 20 0 GIADLO C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000006976196 817732885 /nfs/dbraw/zinc/73/28/85/817732885.db2.gz NBUPTOODFOSTOU-UHFFFAOYSA-N 1 2 381.307 4.376 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000006976196 817732889 /nfs/dbraw/zinc/73/28/89/817732889.db2.gz NBUPTOODFOSTOU-UHFFFAOYSA-N 1 2 381.307 4.376 20 0 GIADLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000007018342 817738464 /nfs/dbraw/zinc/73/84/64/817738464.db2.gz ACWVVPPAWYZBIB-UHFFFAOYSA-N 1 2 391.309 4.227 20 0 GIADLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000007018342 817738469 /nfs/dbraw/zinc/73/84/69/817738469.db2.gz ACWVVPPAWYZBIB-UHFFFAOYSA-N 1 2 391.309 4.227 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000057377507 823284840 /nfs/dbraw/zinc/28/48/40/823284840.db2.gz WXPMAIRRWSZRAE-QFIPXVFZSA-N 1 2 388.471 4.498 20 0 GIADLO C[C@H](c1nnc(S[C@@H]2CCO[C@H](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000572135721 823288636 /nfs/dbraw/zinc/28/86/36/823288636.db2.gz JXSJPDWLCNDVPB-XJKCOSOUSA-N 1 2 380.945 4.203 20 0 GIADLO OC1(C(F)(F)F)CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000409726382 823291797 /nfs/dbraw/zinc/29/17/97/823291797.db2.gz GZJDHVMDPBVORO-UHFFFAOYSA-N 1 2 393.178 4.030 20 0 GIADLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)cc1OC ZINC000007452628 817844773 /nfs/dbraw/zinc/84/47/73/817844773.db2.gz YMPMNBXEHFIWDF-UHFFFAOYSA-N 1 2 397.302 4.390 20 0 GIADLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)cc1OC ZINC000007452628 817844783 /nfs/dbraw/zinc/84/47/83/817844783.db2.gz YMPMNBXEHFIWDF-UHFFFAOYSA-N 1 2 397.302 4.390 20 0 GIADLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000007452561 817844844 /nfs/dbraw/zinc/84/48/44/817844844.db2.gz KBHTUIMZGKFZDA-UHFFFAOYSA-N 1 2 397.302 4.390 20 0 GIADLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000007452561 817844852 /nfs/dbraw/zinc/84/48/52/817844852.db2.gz KBHTUIMZGKFZDA-UHFFFAOYSA-N 1 2 397.302 4.390 20 0 GIADLO Cc1c2ccccc2oc(=O)c1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000176793702 823294105 /nfs/dbraw/zinc/29/41/05/823294105.db2.gz GVGPBFQYEUQBGB-UHFFFAOYSA-N 1 2 397.500 4.042 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)c3csc(-c4ccc(Cl)s4)n3)sc2C1 ZINC000057427128 823294540 /nfs/dbraw/zinc/29/45/40/823294540.db2.gz PWRSXNQHGZJYOV-UHFFFAOYSA-N 1 2 396.950 4.222 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)c3csc(-c4ccc(Cl)s4)n3)sc2C1 ZINC000057427128 823294547 /nfs/dbraw/zinc/29/45/47/823294547.db2.gz PWRSXNQHGZJYOV-UHFFFAOYSA-N 1 2 396.950 4.222 20 0 GIADLO Cc1cc(C)c(CCNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000409735851 823295064 /nfs/dbraw/zinc/29/50/64/823295064.db2.gz DDBHYQZBFLQEBF-HXUWFJFHSA-N 1 2 394.563 4.276 20 0 GIADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000122081109 823303158 /nfs/dbraw/zinc/30/31/58/823303158.db2.gz BKWBKNNIEDSIKP-HOCLYGCPSA-N 1 2 396.491 4.308 20 0 GIADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000122081109 823303161 /nfs/dbraw/zinc/30/31/61/823303161.db2.gz BKWBKNNIEDSIKP-HOCLYGCPSA-N 1 2 396.491 4.308 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007789079 817915305 /nfs/dbraw/zinc/91/53/05/817915305.db2.gz WIBCIRSGNHBLAI-UHFFFAOYSA-N 1 2 392.478 4.231 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000007789079 817915310 /nfs/dbraw/zinc/91/53/10/817915310.db2.gz WIBCIRSGNHBLAI-UHFFFAOYSA-N 1 2 392.478 4.231 20 0 GIADLO C[C@H](c1cccc(NC(=O)[C@@H]2CCSc3ccccc32)c1)[NH+]1CCOCC1 ZINC000460166264 823303227 /nfs/dbraw/zinc/30/32/27/823303227.db2.gz DUTKFBNZHXWQSO-OXQOHEQNSA-N 1 2 382.529 4.298 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2Cl)ccc1OC(F)F ZINC000007976936 817972703 /nfs/dbraw/zinc/97/27/03/817972703.db2.gz OBLHFMRFHNNLPV-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2Cl)ccc1OC(F)F ZINC000007976936 817972711 /nfs/dbraw/zinc/97/27/11/817972711.db2.gz OBLHFMRFHNNLPV-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO COc1cc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)ccc1C ZINC000011767262 818118707 /nfs/dbraw/zinc/11/87/07/818118707.db2.gz XRDGYKWVBVNXKR-UHFFFAOYSA-N 1 2 393.512 4.271 20 0 GIADLO COc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)ccc1C ZINC000011767262 818118713 /nfs/dbraw/zinc/11/87/13/818118713.db2.gz XRDGYKWVBVNXKR-UHFFFAOYSA-N 1 2 393.512 4.271 20 0 GIADLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)s1)c1ccccc1 ZINC000057642449 823317324 /nfs/dbraw/zinc/31/73/24/823317324.db2.gz VLGGDRGDAQQDJT-ZDUSSCGKSA-N 1 2 381.339 4.384 20 0 GIADLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)s1)c1ccccc1 ZINC000057642449 823317331 /nfs/dbraw/zinc/31/73/31/823317331.db2.gz VLGGDRGDAQQDJT-ZDUSSCGKSA-N 1 2 381.339 4.384 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)o1 ZINC000409824636 823317590 /nfs/dbraw/zinc/31/75/90/823317590.db2.gz ADPPSWUYBZRZBY-XGXHKWSGSA-N 1 2 379.504 4.208 20 0 GIADLO C[C@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000409826806 823318158 /nfs/dbraw/zinc/31/81/58/823318158.db2.gz FSOKKKGNFJGHLM-GBXCKJPGSA-N 1 2 387.527 4.394 20 0 GIADLO C[C@@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000409826812 823318490 /nfs/dbraw/zinc/31/84/90/823318490.db2.gz FSOKKKGNFJGHLM-YKSBVNFPSA-N 1 2 387.527 4.394 20 0 GIADLO COc1cc(O)c(C[N@@H+]2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc1OC ZINC000188861508 823318842 /nfs/dbraw/zinc/31/88/42/823318842.db2.gz KQAJYHKAXAQDKQ-ZUOKHONESA-N 1 2 377.868 4.025 20 0 GIADLO COc1cc(O)c(C[N@H+]2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc1OC ZINC000188861508 823318849 /nfs/dbraw/zinc/31/88/49/823318849.db2.gz KQAJYHKAXAQDKQ-ZUOKHONESA-N 1 2 377.868 4.025 20 0 GIADLO Cc1sc2nc([C@@H](C)[N@H+](C)CCOc3cccc(Cl)c3)[nH]c(=O)c2c1C ZINC000014078839 818220952 /nfs/dbraw/zinc/22/09/52/818220952.db2.gz IQKHZCSGKSXXMZ-GFCCVEGCSA-N 1 2 391.924 4.327 20 0 GIADLO Cc1sc2nc([C@@H](C)[N@@H+](C)CCOc3cccc(Cl)c3)[nH]c(=O)c2c1C ZINC000014078839 818220958 /nfs/dbraw/zinc/22/09/58/818220958.db2.gz IQKHZCSGKSXXMZ-GFCCVEGCSA-N 1 2 391.924 4.327 20 0 GIADLO Cc1sc2nc([C@@H](C)[N@H+](C)CCOc3ccccc3Cl)[nH]c(=O)c2c1C ZINC000014078911 818221010 /nfs/dbraw/zinc/22/10/10/818221010.db2.gz YRFCPMISQANPCC-GFCCVEGCSA-N 1 2 391.924 4.327 20 0 GIADLO Cc1sc2nc([C@@H](C)[N@@H+](C)CCOc3ccccc3Cl)[nH]c(=O)c2c1C ZINC000014078911 818221018 /nfs/dbraw/zinc/22/10/18/818221018.db2.gz YRFCPMISQANPCC-GFCCVEGCSA-N 1 2 391.924 4.327 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3cccc(C(C)C)c3)CC2)cc1 ZINC000014327596 818235768 /nfs/dbraw/zinc/23/57/68/818235768.db2.gz JJIVDWLIUQAWFC-UHFFFAOYSA-N 1 2 394.515 4.352 20 0 GIADLO Cc1c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cccc1OCC(F)(F)F ZINC000057732590 823325870 /nfs/dbraw/zinc/32/58/70/823325870.db2.gz WDYVLRLQPKCLJN-UHFFFAOYSA-N 1 2 389.377 4.433 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000015296670 818307726 /nfs/dbraw/zinc/30/77/26/818307726.db2.gz DBJCTLFGRPRVCV-AWEZNQCLSA-N 1 2 392.381 4.474 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000015296670 818307735 /nfs/dbraw/zinc/30/77/35/818307735.db2.gz DBJCTLFGRPRVCV-AWEZNQCLSA-N 1 2 392.381 4.474 20 0 GIADLO CCN(C(=O)C[N@H+](C)Cc1ccc(OC)c(OC)c1)c1cccc2ccccc21 ZINC000015298012 818308218 /nfs/dbraw/zinc/30/82/18/818308218.db2.gz OPFFETZBFHVNHR-UHFFFAOYSA-N 1 2 392.499 4.342 20 0 GIADLO CCN(C(=O)C[N@@H+](C)Cc1ccc(OC)c(OC)c1)c1cccc2ccccc21 ZINC000015298012 818308226 /nfs/dbraw/zinc/30/82/26/818308226.db2.gz OPFFETZBFHVNHR-UHFFFAOYSA-N 1 2 392.499 4.342 20 0 GIADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)Cc1ccc(Br)s1 ZINC000015371795 818319121 /nfs/dbraw/zinc/31/91/21/818319121.db2.gz KYMSPBLMCBKRPO-CHWSQXEVSA-N 1 2 393.350 4.309 20 0 GIADLO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000015371795 818319126 /nfs/dbraw/zinc/31/91/26/818319126.db2.gz KYMSPBLMCBKRPO-CHWSQXEVSA-N 1 2 393.350 4.309 20 0 GIADLO CNc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)s1 ZINC000572399009 823332700 /nfs/dbraw/zinc/33/27/00/823332700.db2.gz MHZOXXPVMDTNFN-UHFFFAOYSA-N 1 2 384.530 4.057 20 0 GIADLO CNc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)s1 ZINC000572399009 823332704 /nfs/dbraw/zinc/33/27/04/823332704.db2.gz MHZOXXPVMDTNFN-UHFFFAOYSA-N 1 2 384.530 4.057 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(O)ccc1C(F)(F)F ZINC000188956704 823333859 /nfs/dbraw/zinc/33/38/59/823333859.db2.gz ISHQIMXMYMQROM-UHFFFAOYSA-N 1 2 385.411 4.106 20 0 GIADLO CSc1cccc(F)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000409880449 823334686 /nfs/dbraw/zinc/33/46/86/823334686.db2.gz QUOXMOPKXABMAA-CRAIPNDOSA-N 1 2 380.435 4.001 20 0 GIADLO CSc1cccc(F)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000409880449 823334694 /nfs/dbraw/zinc/33/46/94/823334694.db2.gz QUOXMOPKXABMAA-CRAIPNDOSA-N 1 2 380.435 4.001 20 0 GIADLO COc1ccc(CN(C(=O)Nc2ccn3cc[nH+]c3c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000572414403 823335231 /nfs/dbraw/zinc/33/52/31/823335231.db2.gz VUMXSKMBPYAWBU-HNNXBMFYSA-N 1 2 394.475 4.184 20 0 GIADLO CCC[N@@H+](Cc1ccccc1)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000016350884 818427607 /nfs/dbraw/zinc/42/76/07/818427607.db2.gz SDALRLVDEHIDGL-UHFFFAOYSA-N 1 2 382.533 4.496 20 0 GIADLO CCC[N@H+](Cc1ccccc1)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000016350884 818427611 /nfs/dbraw/zinc/42/76/11/818427611.db2.gz SDALRLVDEHIDGL-UHFFFAOYSA-N 1 2 382.533 4.496 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SC(F)F)cc1OC ZINC000016376882 818430683 /nfs/dbraw/zinc/43/06/83/818430683.db2.gz LMJUKXGGBWWPOW-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC(F)F)cc1OC ZINC000016376882 818430688 /nfs/dbraw/zinc/43/06/88/818430688.db2.gz LMJUKXGGBWWPOW-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(SC)c2)ccc1OC(F)F ZINC000016377919 818431632 /nfs/dbraw/zinc/43/16/32/818431632.db2.gz JSAZIKLGEFDMJQ-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(SC)c2)ccc1OC(F)F ZINC000016377919 818431637 /nfs/dbraw/zinc/43/16/37/818431637.db2.gz JSAZIKLGEFDMJQ-UHFFFAOYSA-N 1 2 396.459 4.089 20 0 GIADLO CN(Cc1cccs1)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000016384449 818433209 /nfs/dbraw/zinc/43/32/09/818433209.db2.gz COGTYSCSUWLKFE-LJQANCHMSA-N 1 2 388.583 4.477 20 0 GIADLO CN(Cc1cccs1)C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000016384449 818433215 /nfs/dbraw/zinc/43/32/15/818433215.db2.gz COGTYSCSUWLKFE-LJQANCHMSA-N 1 2 388.583 4.477 20 0 GIADLO CCN1C[C@@H](C[N@H+](C)Cc2nnc(-c3ccccc3Cl)o2)Oc2ccccc21 ZINC000016423532 818441567 /nfs/dbraw/zinc/44/15/67/818441567.db2.gz IKSBOCCPVMPNPC-OAHLLOKOSA-N 1 2 398.894 4.109 20 0 GIADLO CCN1C[C@@H](C[N@@H+](C)Cc2nnc(-c3ccccc3Cl)o2)Oc2ccccc21 ZINC000016423532 818441575 /nfs/dbraw/zinc/44/15/75/818441575.db2.gz IKSBOCCPVMPNPC-OAHLLOKOSA-N 1 2 398.894 4.109 20 0 GIADLO COc1cccc([C@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000122314654 823336690 /nfs/dbraw/zinc/33/66/90/823336690.db2.gz SFQJPOHCHFHTTO-OAQYLSRUSA-N 1 2 394.519 4.127 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1cccs1 ZINC000016586830 818456206 /nfs/dbraw/zinc/45/62/06/818456206.db2.gz QOHWSZBPHRMGGS-MRXNPFEDSA-N 1 2 385.514 4.212 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1cccs1 ZINC000016586830 818456212 /nfs/dbraw/zinc/45/62/12/818456212.db2.gz QOHWSZBPHRMGGS-MRXNPFEDSA-N 1 2 385.514 4.212 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000189001381 823340371 /nfs/dbraw/zinc/34/03/71/823340371.db2.gz YYUFNZLZYPHMEL-UHFFFAOYSA-N 1 2 385.389 4.239 20 0 GIADLO CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176988630 823343608 /nfs/dbraw/zinc/34/36/08/823343608.db2.gz KMOPUYDIDYAPJZ-HKUYNNGSSA-N 1 2 388.537 4.148 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c1C ZINC000189032048 823344969 /nfs/dbraw/zinc/34/49/69/823344969.db2.gz YTVBKCMEGZMXKQ-INIZCTEOSA-N 1 2 395.425 4.195 20 0 GIADLO CCOC(=O)c1[nH]c(C[N@@H+]2CCC[C@H]2c2cccs2)c(C(=O)OCC)c1C ZINC000057903089 823346417 /nfs/dbraw/zinc/34/64/17/823346417.db2.gz OGZPJHHPXDXMMP-HNNXBMFYSA-N 1 2 390.505 4.075 20 0 GIADLO CCOC(=O)c1[nH]c(C[N@H+]2CCC[C@H]2c2cccs2)c(C(=O)OCC)c1C ZINC000057903089 823346423 /nfs/dbraw/zinc/34/64/23/823346423.db2.gz OGZPJHHPXDXMMP-HNNXBMFYSA-N 1 2 390.505 4.075 20 0 GIADLO CC(C)(C)c1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000122440634 823354605 /nfs/dbraw/zinc/35/46/05/823354605.db2.gz QGRNKWLDXXMYCJ-UHFFFAOYSA-N 1 2 376.382 4.386 20 0 GIADLO CCC[C@]1(CO)CCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000572542310 823357919 /nfs/dbraw/zinc/35/79/19/823357919.db2.gz BWWXRHHYLMOIOB-JOCHJYFZSA-N 1 2 382.508 4.045 20 0 GIADLO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000460344701 823359237 /nfs/dbraw/zinc/35/92/37/823359237.db2.gz BUDDMLJEQRYCEY-JTDSTZFVSA-N 1 2 379.460 4.003 20 0 GIADLO CCOc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)cc1 ZINC000021996485 818762268 /nfs/dbraw/zinc/76/22/68/818762268.db2.gz BOKKNIQXJANUTP-DYESRHJHSA-N 1 2 393.487 4.037 20 0 GIADLO CCOc1ccc([C@H]2CCC[N@H+]2CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)cc1 ZINC000021996485 818762274 /nfs/dbraw/zinc/76/22/74/818762274.db2.gz BOKKNIQXJANUTP-DYESRHJHSA-N 1 2 393.487 4.037 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3cccc(-n4cccc4)c3)n2)CC1 ZINC000022291827 818790749 /nfs/dbraw/zinc/79/07/49/818790749.db2.gz PHNMNAFQUDPZCJ-UHFFFAOYSA-N 1 2 380.517 4.418 20 0 GIADLO COc1ccc(Cl)cc1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000022292034 818791344 /nfs/dbraw/zinc/79/13/44/818791344.db2.gz NOKMHMTWIWGRNF-UHFFFAOYSA-N 1 2 393.940 4.218 20 0 GIADLO CC(C)(C)CC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022347353 818795177 /nfs/dbraw/zinc/79/51/77/818795177.db2.gz KFWMJXLTWBYNFD-UHFFFAOYSA-N 1 2 394.559 4.373 20 0 GIADLO C[N@H+](CCOc1ccc(Cl)cc1)Cn1c(=S)[nH]nc1Cc1cccs1 ZINC000058204994 823368321 /nfs/dbraw/zinc/36/83/21/823368321.db2.gz JHZQWQROLORWAO-UHFFFAOYSA-N 1 2 394.953 4.215 20 0 GIADLO C[N@@H+](CCOc1ccc(Cl)cc1)Cn1c(=S)[nH]nc1Cc1cccs1 ZINC000058204994 823368324 /nfs/dbraw/zinc/36/83/24/823368324.db2.gz JHZQWQROLORWAO-UHFFFAOYSA-N 1 2 394.953 4.215 20 0 GIADLO Cc1cc(C)c(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000022773346 818858964 /nfs/dbraw/zinc/85/89/64/818858964.db2.gz CFAIIUCHDCAWAT-RMKNXTFCSA-N 1 2 397.950 4.226 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000022772697 818858992 /nfs/dbraw/zinc/85/89/92/818858992.db2.gz VVWAUXIOPCJYLF-NJTIBFSMSA-N 1 2 391.559 4.270 20 0 GIADLO CC(C)c1ccccc1NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022773832 818859486 /nfs/dbraw/zinc/85/94/86/818859486.db2.gz KMIZSEWMBMJZIS-DHZHZOJOSA-N 1 2 377.532 4.080 20 0 GIADLO Fc1ccc(-c2nc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)no2)c(F)c1 ZINC000189168293 823369176 /nfs/dbraw/zinc/36/91/76/823369176.db2.gz MMCQNRCNOFIRKM-AUUYWEPGSA-N 1 2 385.414 4.272 20 0 GIADLO COc1cc(Br)ccc1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000189187995 823372719 /nfs/dbraw/zinc/37/27/19/823372719.db2.gz FDBDGGCIGLIDDK-UHFFFAOYSA-N 1 2 390.306 4.266 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000122568509 823374038 /nfs/dbraw/zinc/37/40/38/823374038.db2.gz RKPWBADPEVJKEC-IAGOWNOFSA-N 1 2 380.517 4.091 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3ccccc3OC(F)F)n2)CC1 ZINC000023314134 818923350 /nfs/dbraw/zinc/92/33/50/818923350.db2.gz INUGTUKRGURMTL-UHFFFAOYSA-N 1 2 381.448 4.229 20 0 GIADLO COc1ccccc1[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1Cl ZINC000572647236 823374970 /nfs/dbraw/zinc/37/49/70/823374970.db2.gz GBJNWHNLAAZUCC-QVKFZJNVSA-N 1 2 395.890 4.013 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Br)cn2C)c(Cl)c1 ZINC000177116681 823375069 /nfs/dbraw/zinc/37/50/69/823375069.db2.gz GMSMDQIKJJLGAV-GFCCVEGCSA-N 1 2 398.732 4.208 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Br)cn2C)c(Cl)c1 ZINC000177116681 823375075 /nfs/dbraw/zinc/37/50/75/823375075.db2.gz GMSMDQIKJJLGAV-GFCCVEGCSA-N 1 2 398.732 4.208 20 0 GIADLO C[C@@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)c1nnnn1-c1ccccc1 ZINC000189209490 823376618 /nfs/dbraw/zinc/37/66/18/823376618.db2.gz JXVNUNGEVJJQIY-LLVKDONJSA-N 1 2 381.789 4.185 20 0 GIADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc(Cl)c(Cl)[nH]3)CC2)cc1 ZINC000023692219 818974373 /nfs/dbraw/zinc/97/43/73/818974373.db2.gz REFOBDNMTFTMGN-UHFFFAOYSA-N 1 2 380.319 4.403 20 0 GIADLO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000122589444 823377689 /nfs/dbraw/zinc/37/76/89/823377689.db2.gz NLTZPSUDUOKZON-QUCCMNQESA-N 1 2 378.520 4.078 20 0 GIADLO C[C@@H](CC(=O)NC1(c2noc(C3CCCC3)n2)CCCCCC1)n1cc[nH+]c1 ZINC000572726142 823389285 /nfs/dbraw/zinc/38/92/85/823389285.db2.gz LUNNBHNEXWHIEQ-INIZCTEOSA-N 1 2 385.512 4.241 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000177180807 823392768 /nfs/dbraw/zinc/39/27/68/823392768.db2.gz JVHTWAZBURHLRE-UHFFFAOYSA-N 1 2 391.406 4.352 20 0 GIADLO COc1cccc([C@H](C)CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000177175052 823391361 /nfs/dbraw/zinc/39/13/61/823391361.db2.gz NXTKROWZEJCSMD-QGZVFWFLSA-N 1 2 379.460 4.103 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1(c2ccc(F)cc2)CCCC1 ZINC000058464941 823395669 /nfs/dbraw/zinc/39/56/69/823395669.db2.gz OXLOQAIMRMPIHU-UHFFFAOYSA-N 1 2 377.463 4.199 20 0 GIADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000122707762 823398229 /nfs/dbraw/zinc/39/82/29/823398229.db2.gz JDBHSAKXSXLMRU-HNNXBMFYSA-N 1 2 384.332 4.170 20 0 GIADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000122707762 823398237 /nfs/dbraw/zinc/39/82/37/823398237.db2.gz JDBHSAKXSXLMRU-HNNXBMFYSA-N 1 2 384.332 4.170 20 0 GIADLO CC(C)(C)c1ccc(CCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000410147109 823401535 /nfs/dbraw/zinc/40/15/35/823401535.db2.gz HQLLUWQDYSNKKL-UHFFFAOYSA-N 1 2 390.531 4.271 20 0 GIADLO COCCn1cnn(C[NH+]2CCC(c3cccc4ccccc43)CC2)c1=S ZINC000058539822 823406035 /nfs/dbraw/zinc/40/60/35/823406035.db2.gz KXLJOYHYLJYMDY-UHFFFAOYSA-N 1 2 382.533 4.051 20 0 GIADLO CCCOc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OCCC ZINC000122816473 823417748 /nfs/dbraw/zinc/41/77/48/823417748.db2.gz BEUIZMTWASYQBX-PKOBYXMFSA-N 1 2 385.508 4.184 20 0 GIADLO O=C(CCCc1ccccc1Br)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000572908421 823417777 /nfs/dbraw/zinc/41/77/77/823417777.db2.gz FKLQQTCVIBFJQQ-UHFFFAOYSA-N 1 2 399.292 4.050 20 0 GIADLO COc1cc(OC)c(OC)cc1C[N@H+](C)Cc1csc(Br)c1 ZINC000122845597 823422333 /nfs/dbraw/zinc/42/23/33/823422333.db2.gz KSANNHJWQAKKJJ-UHFFFAOYSA-N 1 2 386.311 4.168 20 0 GIADLO COc1cc(OC)c(OC)cc1C[N@@H+](C)Cc1csc(Br)c1 ZINC000122845597 823422335 /nfs/dbraw/zinc/42/23/35/823422335.db2.gz KSANNHJWQAKKJJ-UHFFFAOYSA-N 1 2 386.311 4.168 20 0 GIADLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc2c(n1)CCC2 ZINC000572937854 823423880 /nfs/dbraw/zinc/42/38/80/823423880.db2.gz QOBXVGLYBYTABV-UHFFFAOYSA-N 1 2 377.410 4.050 20 0 GIADLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc2c(n1)CCC2 ZINC000572937854 823423884 /nfs/dbraw/zinc/42/38/84/823423884.db2.gz QOBXVGLYBYTABV-UHFFFAOYSA-N 1 2 377.410 4.050 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(OC(F)F)c(F)c2)c1C ZINC000058629940 823419875 /nfs/dbraw/zinc/41/98/75/823419875.db2.gz GWXAOVCEPAESSL-UHFFFAOYSA-N 1 2 383.370 4.111 20 0 GIADLO CCCC(=O)Nc1cccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000058629975 823419893 /nfs/dbraw/zinc/41/98/93/823419893.db2.gz SOEBMSJOXJAFFU-UHFFFAOYSA-N 1 2 384.480 4.110 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(F)c4cccnc34)n2)c1 ZINC000572921430 823420123 /nfs/dbraw/zinc/42/01/23/823420123.db2.gz KHGXVZZINHJQSC-ZDUSSCGKSA-N 1 2 378.407 4.283 20 0 GIADLO CC(C)[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cc1 ZINC000410210835 823421220 /nfs/dbraw/zinc/42/12/20/823421220.db2.gz UIGODWYPXUJXKG-HXUWFJFHSA-N 1 2 384.430 4.347 20 0 GIADLO COc1ccc2oc(C(=O)N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)c(C)c2c1 ZINC000572993386 823431162 /nfs/dbraw/zinc/43/11/62/823431162.db2.gz BSENCEYDRBCGEQ-WKILWMFISA-N 1 2 379.460 4.298 20 0 GIADLO COc1cccc(OC)c1OCCCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000573011945 823433451 /nfs/dbraw/zinc/43/34/51/823433451.db2.gz UCDPQOXNEOADKF-NRFANRHFSA-N 1 2 389.467 4.075 20 0 GIADLO COc1cccc(OC)c1OCCCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000573011945 823433454 /nfs/dbraw/zinc/43/34/54/823433454.db2.gz UCDPQOXNEOADKF-NRFANRHFSA-N 1 2 389.467 4.075 20 0 GIADLO Cc1ccc(SCCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1C ZINC000024748477 819872698 /nfs/dbraw/zinc/87/26/98/819872698.db2.gz REHBUGOJCNBSAP-UHFFFAOYSA-N 1 2 379.529 4.347 20 0 GIADLO O=C(CCCC[C@@H]1CCSS1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024748943 819872739 /nfs/dbraw/zinc/87/27/39/819872739.db2.gz HVSNOHRPJRMHGE-GOSISDBHSA-N 1 2 375.563 4.262 20 0 GIADLO O=C(CCCC[C@H]1CCSS1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024748947 819872835 /nfs/dbraw/zinc/87/28/35/819872835.db2.gz HVSNOHRPJRMHGE-SFHVURJKSA-N 1 2 375.563 4.262 20 0 GIADLO C[C@H](CSc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410254467 823435379 /nfs/dbraw/zinc/43/53/79/823435379.db2.gz GICVYGVMZCEEKN-QZTJIDSGSA-N 1 2 383.561 4.354 20 0 GIADLO CO[C@H](C)c1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000189551355 823442432 /nfs/dbraw/zinc/44/24/32/823442432.db2.gz ULGRTTRMTVHJFX-SMHULIPUSA-N 1 2 389.446 4.239 20 0 GIADLO CO[C@H](C)c1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000189551355 823442433 /nfs/dbraw/zinc/44/24/33/823442433.db2.gz ULGRTTRMTVHJFX-SMHULIPUSA-N 1 2 389.446 4.239 20 0 GIADLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410269509 823442637 /nfs/dbraw/zinc/44/26/37/823442637.db2.gz CJHHGPJBCKBLRA-WMZOPIPTSA-N 1 2 385.939 4.458 20 0 GIADLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)Nc1cccc(Br)c1 ZINC000025415996 819977154 /nfs/dbraw/zinc/97/71/54/819977154.db2.gz ICELKWNPMYQBGG-FQEVSTJZSA-N 1 2 396.288 4.162 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000122978215 823442957 /nfs/dbraw/zinc/44/29/57/823442957.db2.gz FISYLXHHXXFPKQ-UHFFFAOYSA-N 1 2 396.466 4.089 20 0 GIADLO COc1ccc(C[N@H+](C)Cn2c3ccccc3n(C)c2=S)cc1OC(F)F ZINC000025482238 819989864 /nfs/dbraw/zinc/98/98/64/819989864.db2.gz AKIYKIRNTPJOCJ-UHFFFAOYSA-N 1 2 393.459 4.409 20 0 GIADLO COc1ccc(C[N@@H+](C)Cn2c3ccccc3n(C)c2=S)cc1OC(F)F ZINC000025482238 819989871 /nfs/dbraw/zinc/98/98/71/819989871.db2.gz AKIYKIRNTPJOCJ-UHFFFAOYSA-N 1 2 393.459 4.409 20 0 GIADLO C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410280661 823446639 /nfs/dbraw/zinc/44/66/39/823446639.db2.gz YZEJRWARDGJUBS-RTBURBONSA-N 1 2 381.520 4.031 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(-c2ccc(F)cc2)o1 ZINC000025665957 820012899 /nfs/dbraw/zinc/01/28/99/820012899.db2.gz YSNFOUQTVKATAB-UHFFFAOYSA-N 1 2 375.403 4.261 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(OC(F)F)cc3)c2C1 ZINC000025686276 820014583 /nfs/dbraw/zinc/01/45/83/820014583.db2.gz COJBJQIJYKYGPA-UHFFFAOYSA-N 1 2 397.425 4.467 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(OC(F)F)cc3)c2C1 ZINC000025686276 820014593 /nfs/dbraw/zinc/01/45/93/820014593.db2.gz COJBJQIJYKYGPA-UHFFFAOYSA-N 1 2 397.425 4.467 20 0 GIADLO CC(C)(COCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281416 823447360 /nfs/dbraw/zinc/44/73/60/823447360.db2.gz IYFXMMFYTDHREH-HXUWFJFHSA-N 1 2 395.547 4.168 20 0 GIADLO Cc1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cnn1-c1ccccc1F ZINC000025942921 820042376 /nfs/dbraw/zinc/04/23/76/820042376.db2.gz WIQLUVAAXRDVQS-UHFFFAOYSA-N 1 2 399.495 4.015 20 0 GIADLO Cn1c(Cl)nc(Cl)c1C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000123024287 823449858 /nfs/dbraw/zinc/44/98/58/823449858.db2.gz PFCOXHQIWJOLIU-UHFFFAOYSA-N 1 2 379.291 4.447 20 0 GIADLO Cn1c(Cl)nc(Cl)c1C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000123024287 823449860 /nfs/dbraw/zinc/44/98/60/823449860.db2.gz PFCOXHQIWJOLIU-UHFFFAOYSA-N 1 2 379.291 4.447 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)cc1 ZINC000026167399 820066199 /nfs/dbraw/zinc/06/61/99/820066199.db2.gz JFCFDAYXFDZAQR-CQSZACIVSA-N 1 2 380.444 4.103 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)cc1 ZINC000026167399 820066209 /nfs/dbraw/zinc/06/62/09/820066209.db2.gz JFCFDAYXFDZAQR-CQSZACIVSA-N 1 2 380.444 4.103 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(C(=O)OC)o1 ZINC000026228820 820072148 /nfs/dbraw/zinc/07/21/48/820072148.db2.gz VTFYZIRVSNVWCB-UHFFFAOYSA-N 1 2 399.274 4.224 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(C(=O)OC)o1 ZINC000026228820 820072157 /nfs/dbraw/zinc/07/21/57/820072157.db2.gz VTFYZIRVSNVWCB-UHFFFAOYSA-N 1 2 399.274 4.224 20 0 GIADLO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000573123736 823450475 /nfs/dbraw/zinc/45/04/75/823450475.db2.gz LTMNUNLHKUZPCY-XUWXXGDYSA-N 1 2 377.410 4.074 20 0 GIADLO O=C(CSc1ccc(Cl)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410288933 823450739 /nfs/dbraw/zinc/45/07/39/823450739.db2.gz HRVNERBTIYRTBC-HNNXBMFYSA-N 1 2 389.952 4.371 20 0 GIADLO COC(=O)c1ccc(C[N@H+](C)[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000026320927 820082533 /nfs/dbraw/zinc/08/25/33/820082533.db2.gz WWZGWYUCYNBUED-QFIPXVFZSA-N 1 2 388.467 4.285 20 0 GIADLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000026320927 820082543 /nfs/dbraw/zinc/08/25/43/820082543.db2.gz WWZGWYUCYNBUED-QFIPXVFZSA-N 1 2 388.467 4.285 20 0 GIADLO O=C(C[C@H]1CCCc2ccccc21)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292301 823452151 /nfs/dbraw/zinc/45/21/51/823452151.db2.gz SOXMKJWVRFRYQZ-UXHICEINSA-N 1 2 377.532 4.436 20 0 GIADLO COc1ccc(C2(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CCCC2)cc1 ZINC000058790708 823452477 /nfs/dbraw/zinc/45/24/77/823452477.db2.gz RHQLBDACYQQREY-UHFFFAOYSA-N 1 2 389.499 4.068 20 0 GIADLO O=C(N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1(c2ccccc2)CCCC1 ZINC000410294132 823452714 /nfs/dbraw/zinc/45/27/14/823452714.db2.gz YFSNXEOEOYMNPM-IBGZPJMESA-N 1 2 377.532 4.437 20 0 GIADLO CCc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccc(Br)cc3)no2)cn1 ZINC000573140665 823454180 /nfs/dbraw/zinc/45/41/80/823454180.db2.gz ZSZPLKIEYPZATM-LBPRGKRZSA-N 1 2 387.281 4.307 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000026643212 820127358 /nfs/dbraw/zinc/12/73/58/820127358.db2.gz SVXWFHMWXISUBE-GOSISDBHSA-N 1 2 394.515 4.234 20 0 GIADLO O=C1c2cc(Cl)ccc2NC2(CCN(c3cccc[nH+]3)CC2)N1CC1CC1 ZINC000123059652 823455202 /nfs/dbraw/zinc/45/52/02/823455202.db2.gz PAVUQTYJKMSSSX-UHFFFAOYSA-N 1 2 382.895 4.009 20 0 GIADLO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000573147764 823455714 /nfs/dbraw/zinc/45/57/14/823455714.db2.gz MHOHOCAPJHTPTG-SCZZXKLOSA-N 1 2 378.206 4.418 20 0 GIADLO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000573147764 823455716 /nfs/dbraw/zinc/45/57/16/823455716.db2.gz MHOHOCAPJHTPTG-SCZZXKLOSA-N 1 2 378.206 4.418 20 0 GIADLO C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc(Br)s1 ZINC000026814797 820148372 /nfs/dbraw/zinc/14/83/72/820148372.db2.gz GCMVXWYYZJPCOC-SFHVURJKSA-N 1 2 393.350 4.210 20 0 GIADLO C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc(Br)s1 ZINC000026814797 820148376 /nfs/dbraw/zinc/14/83/76/820148376.db2.gz GCMVXWYYZJPCOC-SFHVURJKSA-N 1 2 393.350 4.210 20 0 GIADLO O=C(Nc1cccc(N2CCCC2)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058811554 823456432 /nfs/dbraw/zinc/45/64/32/823456432.db2.gz TXZOGFVVLGFDNU-OAQYLSRUSA-N 1 2 381.545 4.015 20 0 GIADLO CC(C)COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000058811744 823456628 /nfs/dbraw/zinc/45/66/28/823456628.db2.gz WVULQIFUYPKEJY-NRFANRHFSA-N 1 2 384.545 4.450 20 0 GIADLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000177416099 823457091 /nfs/dbraw/zinc/45/70/91/823457091.db2.gz DYIQOSFZUORJTQ-FZKQIMNGSA-N 1 2 385.851 4.030 20 0 GIADLO Cc1ccccc1-n1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)nn1 ZINC000573161785 823457643 /nfs/dbraw/zinc/45/76/43/823457643.db2.gz JKMHRIQQLCOGRW-UHFFFAOYSA-N 1 2 386.503 4.175 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000410311278 823459638 /nfs/dbraw/zinc/45/96/38/823459638.db2.gz DBUVLBBPWIPMEH-UHFFFAOYSA-N 1 2 398.304 4.376 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1cnc2ccccc2c1 ZINC000410311278 823459641 /nfs/dbraw/zinc/45/96/41/823459641.db2.gz DBUVLBBPWIPMEH-UHFFFAOYSA-N 1 2 398.304 4.376 20 0 GIADLO C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410311309 823459743 /nfs/dbraw/zinc/45/97/43/823459743.db2.gz ZUIXTCQTNUNWEY-UYAOXDASSA-N 1 2 397.588 4.495 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cnc2ccccc2c1 ZINC000410313659 823460448 /nfs/dbraw/zinc/46/04/48/823460448.db2.gz UNCIUPCHLRHXFC-UHFFFAOYSA-N 1 2 384.277 4.068 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cnc2ccccc2c1 ZINC000410313659 823460450 /nfs/dbraw/zinc/46/04/50/823460450.db2.gz UNCIUPCHLRHXFC-UHFFFAOYSA-N 1 2 384.277 4.068 20 0 GIADLO O=C(C[N@H+](Cc1cccs1)C1CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000027108893 820195341 /nfs/dbraw/zinc/19/53/41/820195341.db2.gz SYFZYNDWJQJJGF-UHFFFAOYSA-N 1 2 384.501 4.393 20 0 GIADLO O=C(C[N@@H+](Cc1cccs1)C1CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000027108893 820195347 /nfs/dbraw/zinc/19/53/47/820195347.db2.gz SYFZYNDWJQJJGF-UHFFFAOYSA-N 1 2 384.501 4.393 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C)cc3)o2)cc1OC ZINC000027227868 820212610 /nfs/dbraw/zinc/21/26/10/820212610.db2.gz ZXWICVXOMROCMZ-GOSISDBHSA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C)cc3)o2)cc1OC ZINC000027227868 820212615 /nfs/dbraw/zinc/21/26/15/820212615.db2.gz ZXWICVXOMROCMZ-GOSISDBHSA-N 1 2 379.460 4.399 20 0 GIADLO C[N@H+](Cc1csc(-c2ccsc2)n1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027290189 820221647 /nfs/dbraw/zinc/22/16/47/820221647.db2.gz MRCSCUPBPXPCCR-UHFFFAOYSA-N 1 2 383.542 4.396 20 0 GIADLO C[N@@H+](Cc1csc(-c2ccsc2)n1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027290189 820221654 /nfs/dbraw/zinc/22/16/54/820221654.db2.gz MRCSCUPBPXPCCR-UHFFFAOYSA-N 1 2 383.542 4.396 20 0 GIADLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+](C)Cc2ccsc2)cs1 ZINC000027365986 820232055 /nfs/dbraw/zinc/23/20/55/820232055.db2.gz WIYUQDVTKITOJC-UHFFFAOYSA-N 1 2 383.542 4.201 20 0 GIADLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+](C)Cc2ccsc2)cs1 ZINC000027365986 820232061 /nfs/dbraw/zinc/23/20/61/820232061.db2.gz WIYUQDVTKITOJC-UHFFFAOYSA-N 1 2 383.542 4.201 20 0 GIADLO CSc1ccc2cc(CN3CC[NH+](Cc4ccccn4)CC3)c(Cl)nc2c1 ZINC000027378742 820234867 /nfs/dbraw/zinc/23/48/67/820234867.db2.gz DZYCXCYJEYSQAW-UHFFFAOYSA-N 1 2 398.963 4.323 20 0 GIADLO COc1ccccc1CN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)C1CC1 ZINC000123107587 823463323 /nfs/dbraw/zinc/46/33/23/823463323.db2.gz NKGNPCHYNLNVOS-UHFFFAOYSA-N 1 2 395.528 4.076 20 0 GIADLO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000027538523 820257991 /nfs/dbraw/zinc/25/79/91/820257991.db2.gz NRTYVUHUFNUWQV-INIZCTEOSA-N 1 2 391.437 4.163 20 0 GIADLO C[C@@H](SCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410328918 823464722 /nfs/dbraw/zinc/46/47/22/823464722.db2.gz UUCAOEMQXXLRHU-IEBWSBKVSA-N 1 2 383.561 4.247 20 0 GIADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000573217335 823467050 /nfs/dbraw/zinc/46/70/50/823467050.db2.gz BKJVGFABYWNLOJ-LRDDRELGSA-N 1 2 384.480 4.045 20 0 GIADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000573217335 823467053 /nfs/dbraw/zinc/46/70/53/823467053.db2.gz BKJVGFABYWNLOJ-LRDDRELGSA-N 1 2 384.480 4.045 20 0 GIADLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)N[C@H](C)c3cc4ccccc4o3)CC2)c1 ZINC000027881862 820293591 /nfs/dbraw/zinc/29/35/91/820293591.db2.gz OILOBMVMFSVPAJ-MOPGFXCFSA-N 1 2 391.515 4.129 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[NH+]1CCC2(CC1)OCCO2 ZINC000028078748 820309456 /nfs/dbraw/zinc/30/94/56/820309456.db2.gz HNPPTLHJIUDXSH-KRWDZBQOSA-N 1 2 398.528 4.004 20 0 GIADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000028649713 820347098 /nfs/dbraw/zinc/34/70/98/820347098.db2.gz IXWHVJSGPVUKMC-OAHLLOKOSA-N 1 2 385.920 4.382 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccc(Cl)cc3)n2)C1 ZINC000028683165 820350325 /nfs/dbraw/zinc/35/03/25/820350325.db2.gz ANPVICARJARGOP-ZDUSSCGKSA-N 1 2 379.913 4.046 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccc(Cl)cc3)n2)C1 ZINC000028683165 820350331 /nfs/dbraw/zinc/35/03/31/820350331.db2.gz ANPVICARJARGOP-ZDUSSCGKSA-N 1 2 379.913 4.046 20 0 GIADLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c2ccccc2n1 ZINC000028683484 820351030 /nfs/dbraw/zinc/35/10/30/820351030.db2.gz TYGSQXGLBTYCTG-AWEZNQCLSA-N 1 2 380.517 4.484 20 0 GIADLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c2ccccc2n1 ZINC000028683484 820351038 /nfs/dbraw/zinc/35/10/38/820351038.db2.gz TYGSQXGLBTYCTG-AWEZNQCLSA-N 1 2 380.517 4.484 20 0 GIADLO O=C(CCN1CC[NH+](Cc2ccsc2)CC1)Nc1c(Cl)cccc1Cl ZINC000028890164 820367616 /nfs/dbraw/zinc/36/76/16/820367616.db2.gz JYJBKGQCIGYDPC-UHFFFAOYSA-N 1 2 398.359 4.201 20 0 GIADLO C[C@H](C1CC1)n1cc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cn1 ZINC000189683669 823474807 /nfs/dbraw/zinc/47/48/07/823474807.db2.gz NQIHVHJWZMBUIB-NQERJWCQSA-N 1 2 390.491 4.101 20 0 GIADLO CSc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000029114567 820394758 /nfs/dbraw/zinc/39/47/58/820394758.db2.gz ZAEYSGIFWLRRER-MRXNPFEDSA-N 1 2 376.547 4.090 20 0 GIADLO CSc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000029114567 820394764 /nfs/dbraw/zinc/39/47/64/820394764.db2.gz ZAEYSGIFWLRRER-MRXNPFEDSA-N 1 2 376.547 4.090 20 0 GIADLO CCOCCCn1c2ccccc2[nH+]c1NCc1nc2ccc(Cl)cc2n1C ZINC000460682272 823477554 /nfs/dbraw/zinc/47/75/54/823477554.db2.gz WXBIVLNHGOTVFC-UHFFFAOYSA-N 1 2 397.910 4.037 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2ccc(-c3ccccc3)[nH]2)c1C ZINC000058958479 823476370 /nfs/dbraw/zinc/47/63/70/823476370.db2.gz DGNSAHGJUSOBIA-UHFFFAOYSA-N 1 2 377.488 4.293 20 0 GIADLO COc1ccccc1-c1nc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cs1 ZINC000058959024 823476453 /nfs/dbraw/zinc/47/64/53/823476453.db2.gz NFJBMZCFVUGVCK-UHFFFAOYSA-N 1 2 397.500 4.111 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C=C(\C)c1cccc(OC)c1 ZINC000177509847 823479744 /nfs/dbraw/zinc/47/97/44/823479744.db2.gz WKNYWBPYVQLHLH-KNTRCKAVSA-N 1 2 393.531 4.259 20 0 GIADLO CC[C@@H](C)c1ccccc1OCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029669345 820495791 /nfs/dbraw/zinc/49/57/91/820495791.db2.gz GOXVBGIFTYJSDM-GOSISDBHSA-N 1 2 377.488 4.140 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc(C)c3)no2)c1 ZINC000029705488 820501729 /nfs/dbraw/zinc/50/17/29/820501729.db2.gz YUGOBHLVPMZQAG-IBGZPJMESA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc(C)c3)no2)c1 ZINC000029705488 820501739 /nfs/dbraw/zinc/50/17/39/820501739.db2.gz YUGOBHLVPMZQAG-IBGZPJMESA-N 1 2 379.460 4.399 20 0 GIADLO O=C(c1coc(Br)c1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000059054331 823484661 /nfs/dbraw/zinc/48/46/61/823484661.db2.gz HKONTNFUAZUBFL-UHFFFAOYSA-N 1 2 397.700 4.044 20 0 GIADLO O=C(c1coc(Br)c1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000059054331 823484664 /nfs/dbraw/zinc/48/46/64/823484664.db2.gz HKONTNFUAZUBFL-UHFFFAOYSA-N 1 2 397.700 4.044 20 0 GIADLO C[C@H]1CCN(C(=O)c2csc(-c3c(F)cccc3F)n2)C[C@@H]1n1cc[nH+]c1 ZINC000177541933 823486504 /nfs/dbraw/zinc/48/65/04/823486504.db2.gz UNUYYPFLVNVNOR-LRDDRELGSA-N 1 2 388.443 4.008 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000029907772 820545226 /nfs/dbraw/zinc/54/52/26/820545226.db2.gz YQZSUYKMAMODRW-UHFFFAOYSA-N 1 2 379.420 4.112 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc2ccc(Cl)cc2n1 ZINC000410404102 823488441 /nfs/dbraw/zinc/48/84/41/823488441.db2.gz URPWLBRFAUQVGE-UHFFFAOYSA-N 1 2 386.789 4.463 20 0 GIADLO C[C@@H]1SCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000573402772 823488810 /nfs/dbraw/zinc/48/88/10/823488810.db2.gz OUYNUKUVRBHJBC-UWJYYQICSA-N 1 2 377.513 4.250 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)c(Cl)cc1Cl ZINC000030218316 820588885 /nfs/dbraw/zinc/58/88/85/820588885.db2.gz BMXRUAYTSDCMDU-UHFFFAOYSA-N 1 2 378.234 4.307 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000460710285 823490409 /nfs/dbraw/zinc/49/04/09/823490409.db2.gz RTRSQNSSCXOJNW-HNNXBMFYSA-N 1 2 379.426 4.309 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1ccccc1Cl)Nc1ccccc1N1CCCC1=O ZINC000059390426 823494966 /nfs/dbraw/zinc/49/49/66/823494966.db2.gz AMQQUEAEYGAETK-IBGZPJMESA-N 1 2 397.906 4.242 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1Cl)Nc1ccccc1N1CCCC1=O ZINC000059390426 823494969 /nfs/dbraw/zinc/49/49/69/823494969.db2.gz AMQQUEAEYGAETK-IBGZPJMESA-N 1 2 397.906 4.242 20 0 GIADLO O=C(c1cc(Cl)ccc1Br)N1CC[NH+](Cc2cccs2)CC1 ZINC000030515266 820629256 /nfs/dbraw/zinc/62/92/56/820629256.db2.gz HXKLKGLULYFCJZ-UHFFFAOYSA-N 1 2 399.741 4.122 20 0 GIADLO CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030563867 820641351 /nfs/dbraw/zinc/64/13/51/820641351.db2.gz ZFHKEAUROQWKHC-SFHVURJKSA-N 1 2 377.488 4.140 20 0 GIADLO COC[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)c1ccc(C)o1 ZINC000177566786 823492852 /nfs/dbraw/zinc/49/28/52/823492852.db2.gz JEIFJJRBFMDUNO-QGZVFWFLSA-N 1 2 390.281 4.014 20 0 GIADLO CSCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000189779256 823493008 /nfs/dbraw/zinc/49/30/08/823493008.db2.gz MLUXCHLKEKUICP-MOPGFXCFSA-N 1 2 391.487 4.395 20 0 GIADLO CSCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000189779256 823493015 /nfs/dbraw/zinc/49/30/15/823493015.db2.gz MLUXCHLKEKUICP-MOPGFXCFSA-N 1 2 391.487 4.395 20 0 GIADLO COc1cc(OC)cc([C@H]([NH2+]Cc2ccc3ccccc3c2)c2nccn2C)c1 ZINC000030649313 820657747 /nfs/dbraw/zinc/65/77/47/820657747.db2.gz GWLAYLKRKNVRIY-QHCPKHFHSA-N 1 2 387.483 4.470 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000177602674 823499436 /nfs/dbraw/zinc/49/94/36/823499436.db2.gz MGUWXDQWJHAVQH-UHFFFAOYSA-N 1 2 392.409 4.201 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(-c4ncco4)ccc3C)cn2c1 ZINC000123391702 823504730 /nfs/dbraw/zinc/50/47/30/823504730.db2.gz FSCXMGLNMBYAME-UHFFFAOYSA-N 1 2 392.484 4.478 20 0 GIADLO CCc1nc2ccccc2n1Cc1noc(/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000460745904 823502866 /nfs/dbraw/zinc/50/28/66/823502866.db2.gz KYVDYKLTWLZCJH-XFXZXTDPSA-N 1 2 396.454 4.386 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2c(C)onc2-c2ccccc2Cl)c1C ZINC000123472398 823512541 /nfs/dbraw/zinc/51/25/41/823512541.db2.gz VBACKBPTYVVZMH-UHFFFAOYSA-N 1 2 385.851 4.254 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000123454989 823510686 /nfs/dbraw/zinc/51/06/86/823510686.db2.gz ACNJZHFCLXRGBD-UHFFFAOYSA-N 1 2 375.904 4.081 20 0 GIADLO COc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1F ZINC000031894501 820871058 /nfs/dbraw/zinc/87/10/58/820871058.db2.gz XACCHQNDZBBNMV-QGZVFWFLSA-N 1 2 394.849 4.194 20 0 GIADLO O=C(NC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1)c1ccsc1 ZINC000177691292 823514010 /nfs/dbraw/zinc/51/40/10/823514010.db2.gz NNGOUCJQJOBGQA-UHFFFAOYSA-N 1 2 397.313 4.044 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000032272206 820906466 /nfs/dbraw/zinc/90/64/66/820906466.db2.gz LXMNKSQKMJXMDJ-UHFFFAOYSA-N 1 2 397.910 4.006 20 0 GIADLO O=C(NC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1)C1CCCCC1 ZINC000177693488 823514204 /nfs/dbraw/zinc/51/42/04/823514204.db2.gz GJVKJYRMDZFFQL-UHFFFAOYSA-N 1 2 397.332 4.249 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](CC(C)(C)O)C2CC2)cs1)c1ccc(Cl)cc1 ZINC000189922503 823514299 /nfs/dbraw/zinc/51/42/99/823514299.db2.gz ODNAUMWNJLXDFV-UHFFFAOYSA-N 1 2 393.940 4.216 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](CC(C)(C)O)C2CC2)cs1)c1ccc(Cl)cc1 ZINC000189922503 823514300 /nfs/dbraw/zinc/51/43/00/823514300.db2.gz ODNAUMWNJLXDFV-UHFFFAOYSA-N 1 2 393.940 4.216 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc2ccc(Cl)cc2[nH]1 ZINC000032314943 820913586 /nfs/dbraw/zinc/91/35/86/820913586.db2.gz CKAKORGMRYQWEE-UHFFFAOYSA-N 1 2 378.863 4.039 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000177729321 823517944 /nfs/dbraw/zinc/51/79/44/823517944.db2.gz ZFLJFNUMZVGLGZ-JGTBNHKDSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000177729321 823517947 /nfs/dbraw/zinc/51/79/47/823517947.db2.gz ZFLJFNUMZVGLGZ-JGTBNHKDSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000177731490 823518147 /nfs/dbraw/zinc/51/81/47/823518147.db2.gz IJMBTFWUUUCKBY-YDBLSZJJSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000177731490 823518150 /nfs/dbraw/zinc/51/81/50/823518150.db2.gz IJMBTFWUUUCKBY-YDBLSZJJSA-N 1 2 399.343 4.362 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1F ZINC000032539080 820965905 /nfs/dbraw/zinc/96/59/05/820965905.db2.gz KNNDRNUAIBDDIE-UHFFFAOYSA-N 1 2 399.491 4.337 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1F ZINC000032539080 820965910 /nfs/dbraw/zinc/96/59/10/820965910.db2.gz KNNDRNUAIBDDIE-UHFFFAOYSA-N 1 2 399.491 4.337 20 0 GIADLO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C ZINC000177735798 823518568 /nfs/dbraw/zinc/51/85/68/823518568.db2.gz JXJLADYGVVDTBN-ROUUACIJSA-N 1 2 379.570 4.074 20 0 GIADLO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C ZINC000177735798 823518569 /nfs/dbraw/zinc/51/85/69/823518569.db2.gz JXJLADYGVVDTBN-ROUUACIJSA-N 1 2 379.570 4.074 20 0 GIADLO C[C@@H]1CC[C@H](CSc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)O1 ZINC000189988442 823522156 /nfs/dbraw/zinc/52/21/56/823522156.db2.gz AAEACZMUILJZEM-RHSMWYFYSA-N 1 2 392.956 4.176 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(Br)ccc1F ZINC000036700703 821077049 /nfs/dbraw/zinc/07/70/49/821077049.db2.gz OTQBGKYEJJKGCD-UHFFFAOYSA-N 1 2 398.301 4.283 20 0 GIADLO CCOc1ccc(CN(C)C(=O)C[N@H+](CC)Cc2ccc(Cl)s2)cc1 ZINC000060463194 823530862 /nfs/dbraw/zinc/53/08/62/823530862.db2.gz CYVAQWZVHLCPQP-UHFFFAOYSA-N 1 2 380.941 4.281 20 0 GIADLO CCOc1ccc(CN(C)C(=O)C[N@@H+](CC)Cc2ccc(Cl)s2)cc1 ZINC000060463194 823530867 /nfs/dbraw/zinc/53/08/67/823530867.db2.gz CYVAQWZVHLCPQP-UHFFFAOYSA-N 1 2 380.941 4.281 20 0 GIADLO FC(F)Oc1ccc(C[NH+]2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000060467005 823531448 /nfs/dbraw/zinc/53/14/48/823531448.db2.gz JOQKCSZWCCKUFS-UHFFFAOYSA-N 1 2 383.442 4.154 20 0 GIADLO C[N@H+](Cc1nnnn1-c1ccc(OC(F)F)cc1)Cc1cccc2ccccc21 ZINC000060477844 823532589 /nfs/dbraw/zinc/53/25/89/823532589.db2.gz HZRRZEYOPVIDKF-UHFFFAOYSA-N 1 2 395.413 4.049 20 0 GIADLO C[N@@H+](Cc1nnnn1-c1ccc(OC(F)F)cc1)Cc1cccc2ccccc21 ZINC000060477844 823532590 /nfs/dbraw/zinc/53/25/90/823532590.db2.gz HZRRZEYOPVIDKF-UHFFFAOYSA-N 1 2 395.413 4.049 20 0 GIADLO Cc1cn2cc(NC(=O)CCNc3ncc(C(F)(F)F)cc3Cl)ccc2[nH+]1 ZINC000460887918 823536385 /nfs/dbraw/zinc/53/63/85/823536385.db2.gz AHIGTLYLFSDGME-UHFFFAOYSA-N 1 2 397.788 4.151 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCOc2ccc(C(C)C)cc2)c1C ZINC000060547791 823540835 /nfs/dbraw/zinc/54/08/35/823540835.db2.gz CCDJZTZUZNTGIL-UHFFFAOYSA-N 1 2 385.508 4.051 20 0 GIADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 ZINC000123748927 823536990 /nfs/dbraw/zinc/53/69/90/823536990.db2.gz HCGKUZXYSZZFDN-LJQANCHMSA-N 1 2 376.508 4.040 20 0 GIADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 ZINC000123748927 823536992 /nfs/dbraw/zinc/53/69/92/823536992.db2.gz HCGKUZXYSZZFDN-LJQANCHMSA-N 1 2 376.508 4.040 20 0 GIADLO Cc1c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)oc2c1C(=O)CCC2 ZINC000041688592 821216828 /nfs/dbraw/zinc/21/68/28/821216828.db2.gz JICPDSLONKQLMQ-UHFFFAOYSA-N 1 2 387.505 4.048 20 0 GIADLO O=C(CCOc1cccc(Cl)c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000041774363 821228143 /nfs/dbraw/zinc/22/81/43/821228143.db2.gz VNBZHFWLTKDJDP-UHFFFAOYSA-N 1 2 379.913 4.190 20 0 GIADLO CCn1cnnc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000060526552 823538468 /nfs/dbraw/zinc/53/84/68/823538468.db2.gz MZNOFGVCIADTKI-UHFFFAOYSA-N 1 2 398.470 4.187 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1C ZINC000060533854 823539345 /nfs/dbraw/zinc/53/93/45/823539345.db2.gz NHBHJHJREFUVTQ-KRWDZBQOSA-N 1 2 381.520 4.488 20 0 GIADLO CCc1nc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cs1 ZINC000042101120 821265619 /nfs/dbraw/zinc/26/56/19/821265619.db2.gz GYNOBADMAXTSRW-UHFFFAOYSA-N 1 2 399.589 4.233 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCc2cccc3ccccc32)c1C ZINC000060546318 823540551 /nfs/dbraw/zinc/54/05/51/823540551.db2.gz SYSWNWGKXKJGMD-UHFFFAOYSA-N 1 2 377.488 4.244 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000042287563 821295401 /nfs/dbraw/zinc/29/54/01/821295401.db2.gz IZOONHYZIHLSPI-MBNRZODZSA-N 1 2 397.950 4.306 20 0 GIADLO c1ccc2c(c1)nc(-c1ccncc1)nc2NCc1cc[nH+]c(N2CCCC2)c1 ZINC000042619964 821314551 /nfs/dbraw/zinc/31/45/51/821314551.db2.gz CJBDSCLXKVOQPX-UHFFFAOYSA-N 1 2 382.471 4.299 20 0 GIADLO Cc1ccc(CN(CCc2ccccc2)C(=O)NCCCn2cc[nH+]c2)s1 ZINC000042899109 821343494 /nfs/dbraw/zinc/34/34/94/821343494.db2.gz ILDZUOBOQIHEBF-UHFFFAOYSA-N 1 2 382.533 4.098 20 0 GIADLO CC(C)(C)c1ccccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000043315779 821391241 /nfs/dbraw/zinc/39/12/41/821391241.db2.gz YTTLNXXXHFPHAI-LJQANCHMSA-N 1 2 381.520 4.007 20 0 GIADLO CC(C)(C)c1ccccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000043315779 821391252 /nfs/dbraw/zinc/39/12/52/821391252.db2.gz YTTLNXXXHFPHAI-LJQANCHMSA-N 1 2 381.520 4.007 20 0 GIADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c(Br)c1 ZINC000043328445 821392543 /nfs/dbraw/zinc/39/25/43/821392543.db2.gz MSVJUWOKSQPJKL-UHFFFAOYSA-N 1 2 394.338 4.169 20 0 GIADLO O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000180706933 821407735 /nfs/dbraw/zinc/40/77/35/821407735.db2.gz UKLCHUMQFWKTDZ-GOSISDBHSA-N 1 2 392.425 4.400 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043449090 821407854 /nfs/dbraw/zinc/40/78/54/821407854.db2.gz UWBMDWNBHXNCBH-UHFFFAOYSA-N 1 2 394.338 4.169 20 0 GIADLO Cc1ncsc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180753537 821435534 /nfs/dbraw/zinc/43/55/34/821435534.db2.gz HMMXPDBMEUTWEC-JKSUJKDBSA-N 1 2 381.904 4.198 20 0 GIADLO Cc1ncsc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180753537 821435537 /nfs/dbraw/zinc/43/55/37/821435537.db2.gz HMMXPDBMEUTWEC-JKSUJKDBSA-N 1 2 381.904 4.198 20 0 GIADLO CCC(CC)c1nnc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000043697941 821443168 /nfs/dbraw/zinc/44/31/68/821443168.db2.gz XRCAWTUXSBGROA-UHFFFAOYSA-N 1 2 398.536 4.051 20 0 GIADLO COc1cccc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1OC ZINC000180775891 821449936 /nfs/dbraw/zinc/44/99/36/821449936.db2.gz JKLYVURSCTWIOV-SFHVURJKSA-N 1 2 381.394 4.296 20 0 GIADLO COc1cccc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1OC ZINC000180775891 821449940 /nfs/dbraw/zinc/44/99/40/821449940.db2.gz JKLYVURSCTWIOV-SFHVURJKSA-N 1 2 381.394 4.296 20 0 GIADLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000180797210 821464100 /nfs/dbraw/zinc/46/41/00/821464100.db2.gz HCMIFSJHVUOYJZ-GOSISDBHSA-N 1 2 375.472 4.292 20 0 GIADLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000180797210 821464107 /nfs/dbraw/zinc/46/41/07/821464107.db2.gz HCMIFSJHVUOYJZ-GOSISDBHSA-N 1 2 375.472 4.292 20 0 GIADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCCc2ccc3ccccc3c2)CC1 ZINC000180811250 821473110 /nfs/dbraw/zinc/47/31/10/821473110.db2.gz FMRDIPLBTSHWCU-FQEVSTJZSA-N 1 2 387.527 4.463 20 0 GIADLO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180827223 821483863 /nfs/dbraw/zinc/48/38/63/821483863.db2.gz QXWADQLFIYYMKA-AOMKIAJQSA-N 1 2 394.494 4.423 20 0 GIADLO COc1cc(-c2noc(C[NH2+][C@H](C)c3ccc(-n4cccn4)cc3)n2)ccc1C ZINC000180829137 821484611 /nfs/dbraw/zinc/48/46/11/821484611.db2.gz VZOOAASSFQDJBP-MRXNPFEDSA-N 1 2 389.459 4.090 20 0 GIADLO C[C@H](C[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1)c1cccc(Br)c1 ZINC000180835666 821487306 /nfs/dbraw/zinc/48/73/06/821487306.db2.gz GJGUPRGIVVGQML-OLZOCXBDSA-N 1 2 379.264 4.121 20 0 GIADLO C[C@H](C[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1)c1cccc(Br)c1 ZINC000180835666 821487310 /nfs/dbraw/zinc/48/73/10/821487310.db2.gz GJGUPRGIVVGQML-OLZOCXBDSA-N 1 2 379.264 4.121 20 0 GIADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000180862811 821500518 /nfs/dbraw/zinc/50/05/18/821500518.db2.gz PWKQCNQOPQEWJN-QHCPKHFHSA-N 1 2 393.531 4.199 20 0 GIADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000180862811 821500527 /nfs/dbraw/zinc/50/05/27/821500527.db2.gz PWKQCNQOPQEWJN-QHCPKHFHSA-N 1 2 393.531 4.199 20 0 GIADLO COc1cccc2[nH]cc(CC(=O)Nc3nc(C[N@@H+]4CCC[C@@H](C)C4)cs3)c21 ZINC000180875164 821506789 /nfs/dbraw/zinc/50/67/89/821506789.db2.gz PECUAKGIACAPLT-CQSZACIVSA-N 1 2 398.532 4.046 20 0 GIADLO COc1cccc2[nH]cc(CC(=O)Nc3nc(C[N@H+]4CCC[C@@H](C)C4)cs3)c21 ZINC000180875164 821506794 /nfs/dbraw/zinc/50/67/94/821506794.db2.gz PECUAKGIACAPLT-CQSZACIVSA-N 1 2 398.532 4.046 20 0 GIADLO CC(C)c1cccc(C(C)C)c1NC(=S)NCC(C)(C)[NH+]1CCOCC1 ZINC000044055254 821513353 /nfs/dbraw/zinc/51/33/53/821513353.db2.gz MIBUTSFSPUFOMP-UHFFFAOYSA-N 1 2 377.598 4.331 20 0 GIADLO S=C(Nc1ccc(Cl)c(Cl)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000044083116 821519163 /nfs/dbraw/zinc/51/91/63/821519163.db2.gz NFQHAJQKNHEZEP-UHFFFAOYSA-N 1 2 381.332 4.344 20 0 GIADLO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000044089781 821521210 /nfs/dbraw/zinc/52/12/10/821521210.db2.gz OTSUXSXKTDMPHJ-GFCCVEGCSA-N 1 2 379.485 4.413 20 0 GIADLO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000044089781 821521213 /nfs/dbraw/zinc/52/12/13/821521213.db2.gz OTSUXSXKTDMPHJ-GFCCVEGCSA-N 1 2 379.485 4.413 20 0 GIADLO CCCCn1c(SCc2nnc(-c3ccco3)o2)nnc1[C@H](CC)[NH+](C)C ZINC000044172334 821539367 /nfs/dbraw/zinc/53/93/67/821539367.db2.gz ITTJVWBCUZRUJB-ZDUSSCGKSA-N 1 2 390.513 4.026 20 0 GIADLO CCCn1cc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000180935699 821546707 /nfs/dbraw/zinc/54/67/07/821546707.db2.gz XQEWCXXKSVSKER-UHFFFAOYSA-N 1 2 399.498 4.135 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccc(OCC(F)(F)F)cc1 ZINC000180965359 821560167 /nfs/dbraw/zinc/56/01/67/821560167.db2.gz SYQYJUZVGIKSJE-CQSZACIVSA-N 1 2 391.393 4.452 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000044397339 821583767 /nfs/dbraw/zinc/58/37/67/821583767.db2.gz RKKXABGSASMUPU-ZWKOTPCHSA-N 1 2 398.469 4.098 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000044397335 821583881 /nfs/dbraw/zinc/58/38/81/821583881.db2.gz RKKXABGSASMUPU-ROUUACIJSA-N 1 2 398.469 4.098 20 0 GIADLO O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044442450 821587287 /nfs/dbraw/zinc/58/72/87/821587287.db2.gz UPPJRHWAMSYDQE-UHFFFAOYSA-N 1 2 397.478 4.440 20 0 GIADLO Cc1ccc2c(c1)[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[C@@H](C)C2 ZINC000181006999 821589307 /nfs/dbraw/zinc/58/93/07/821589307.db2.gz PCXPSKJFIAMQOL-MBSDFSHPSA-N 1 2 388.515 4.015 20 0 GIADLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000181026463 821600053 /nfs/dbraw/zinc/60/00/53/821600053.db2.gz LEQATIILLAHLHE-OLMNPRSZSA-N 1 2 388.899 4.043 20 0 GIADLO CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000181037975 821605715 /nfs/dbraw/zinc/60/57/15/821605715.db2.gz RUVNUUHZBGNEBI-NRFANRHFSA-N 1 2 386.455 4.176 20 0 GIADLO C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568755 821610894 /nfs/dbraw/zinc/61/08/94/821610894.db2.gz YLPSJZOSSCAKDF-VFNWGFHPSA-N 1 2 389.455 4.053 20 0 GIADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181061096 821615011 /nfs/dbraw/zinc/61/50/11/821615011.db2.gz XESKVIBHRBJZIX-HNNXBMFYSA-N 1 2 385.943 4.023 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181115020 821641374 /nfs/dbraw/zinc/64/13/74/821641374.db2.gz CFCPSXGJDSVWLE-UHFFFAOYSA-N 1 2 396.401 4.067 20 0 GIADLO C[C@@H](c1nc2ccccc2o1)[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000181119687 821644957 /nfs/dbraw/zinc/64/49/57/821644957.db2.gz KZXSFDXZPFCROI-NSHDSACASA-N 1 2 376.359 4.351 20 0 GIADLO C[C@@H](c1nc2ccccc2o1)[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000181119687 821644962 /nfs/dbraw/zinc/64/49/62/821644962.db2.gz KZXSFDXZPFCROI-NSHDSACASA-N 1 2 376.359 4.351 20 0 GIADLO CC(C)C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2[nH]1 ZINC000044969758 821684036 /nfs/dbraw/zinc/68/40/36/821684036.db2.gz JQXFEBIJHGALRJ-OAQYLSRUSA-N 1 2 387.487 4.325 20 0 GIADLO C[C@H]([NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1)c1ccoc1 ZINC000181193580 821688930 /nfs/dbraw/zinc/68/89/30/821688930.db2.gz GRTITVJZCADHSC-RNODOKPDSA-N 1 2 391.439 4.402 20 0 GIADLO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1nnc(C2CC2)n1C1CC1 ZINC000181218551 821703382 /nfs/dbraw/zinc/70/33/82/821703382.db2.gz IKKMBTFHBRQNDG-UHFFFAOYSA-N 1 2 377.492 4.210 20 0 GIADLO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1nnc(C2CC2)n1C1CC1 ZINC000181218551 821703450 /nfs/dbraw/zinc/70/34/50/821703450.db2.gz IKKMBTFHBRQNDG-UHFFFAOYSA-N 1 2 377.492 4.210 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1nc(-c2cccs2)no1 ZINC000181287390 821736344 /nfs/dbraw/zinc/73/63/44/821736344.db2.gz FHBBEJRQGRASMB-STQMWFEESA-N 1 2 384.461 4.167 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(N2CCOC2=O)cc1 ZINC000181289424 821737843 /nfs/dbraw/zinc/73/78/43/821737843.db2.gz RRYXVVNSFATTDT-CYBMUJFWSA-N 1 2 398.850 4.197 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1nnc(-c2ccccc2)o1 ZINC000181298098 821742013 /nfs/dbraw/zinc/74/20/13/821742013.db2.gz JPMYHPNCWYFFSX-HUUCEWRRSA-N 1 2 378.432 4.105 20 0 GIADLO C[C@@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1cccc(N2CCOC2=O)c1 ZINC000181302669 821744441 /nfs/dbraw/zinc/74/44/41/821744441.db2.gz OCQKQPBLMFNCRC-CQSZACIVSA-N 1 2 381.407 4.288 20 0 GIADLO COc1cc(OC)c([C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1Cl ZINC000181337190 821768460 /nfs/dbraw/zinc/76/84/60/821768460.db2.gz AOCZENFJJCRJBV-UONOGXRCSA-N 1 2 386.883 4.350 20 0 GIADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181388439 821800571 /nfs/dbraw/zinc/80/05/71/821800571.db2.gz UODXMHLKAIZYCA-OAHLLOKOSA-N 1 2 385.943 4.023 20 0 GIADLO Cc1sc2[nH]c(C[N@H+]3[C@@H](CO)CCC[C@@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000181394111 821804733 /nfs/dbraw/zinc/80/47/33/821804733.db2.gz GTFFQXMFUFNYSJ-WMLDXEAASA-N 1 2 397.544 4.004 20 0 GIADLO Cc1sc2[nH]c(C[N@@H+]3[C@@H](CO)CCC[C@@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000181394111 821804739 /nfs/dbraw/zinc/80/47/39/821804739.db2.gz GTFFQXMFUFNYSJ-WMLDXEAASA-N 1 2 397.544 4.004 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)CCc2ccncc2)cs1)c1ccc(F)cc1 ZINC000181497476 821854502 /nfs/dbraw/zinc/85/45/02/821854502.db2.gz MQSICMKMWIFJQG-UHFFFAOYSA-N 1 2 384.480 4.036 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)CCc2ccncc2)cs1)c1ccc(F)cc1 ZINC000181497476 821854511 /nfs/dbraw/zinc/85/45/11/821854511.db2.gz MQSICMKMWIFJQG-UHFFFAOYSA-N 1 2 384.480 4.036 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(Br)s2)no1)c1cccc(O)c1 ZINC000181554949 821879496 /nfs/dbraw/zinc/87/94/96/821879496.db2.gz VOJUAPSHNXECIM-SECBINFHSA-N 1 2 380.267 4.117 20 0 GIADLO O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181580073 821887982 /nfs/dbraw/zinc/88/79/82/821887982.db2.gz YIHFFCPMASXDNN-INIZCTEOSA-N 1 2 381.304 4.184 20 0 GIADLO O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000181581088 821888334 /nfs/dbraw/zinc/88/83/34/821888334.db2.gz IDQXVGBTCBJGTQ-INIZCTEOSA-N 1 2 381.304 4.184 20 0 GIADLO O=C(NCCn1cc[nH+]c1)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000181587137 821891698 /nfs/dbraw/zinc/89/16/98/821891698.db2.gz KQGPDPODQLEEGH-SFHVURJKSA-N 1 2 389.286 4.279 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1c(F)cccc1Cl ZINC000181732498 821966279 /nfs/dbraw/zinc/96/62/79/821966279.db2.gz AILGPVXZHLBAIJ-CQSZACIVSA-N 1 2 375.875 4.369 20 0 GIADLO C[C@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1c(F)cccc1Cl ZINC000181760365 821980078 /nfs/dbraw/zinc/98/00/78/821980078.db2.gz RPXYCWVJXGESQX-NSHDSACASA-N 1 2 392.780 4.314 20 0 GIADLO Cc1[nH+]cc(CNc2ccc(Oc3cccc(C(N)=O)c3)nc2)n1-c1ccccc1 ZINC000181761813 821980561 /nfs/dbraw/zinc/98/05/61/821980561.db2.gz CLJYSIWVQAVIMZ-UHFFFAOYSA-N 1 2 399.454 4.079 20 0 GIADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccccc1 ZINC000181839033 822013604 /nfs/dbraw/zinc/01/36/04/822013604.db2.gz VDTGPFKGPMGONB-OAQYLSRUSA-N 1 2 377.488 4.104 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1cccc(N2CCCC2)c1 ZINC000181861963 822019772 /nfs/dbraw/zinc/01/97/72/822019772.db2.gz QJMLKJANTKULRJ-CQSZACIVSA-N 1 2 384.430 4.466 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3cccc(N4CCCC4)c3)n2)cc1 ZINC000181883489 822025746 /nfs/dbraw/zinc/02/57/46/822025746.db2.gz TYNCEPQEUVJLBT-MRXNPFEDSA-N 1 2 378.476 4.196 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(F)c(Cl)c2F)C[C@H](C)O1 ZINC000181890492 822028224 /nfs/dbraw/zinc/02/82/24/822028224.db2.gz UJOSPKZSECDXHK-STQMWFEESA-N 1 2 394.849 4.480 20 0 GIADLO Cc1ccc(-c2ccc(C[NH2+][C@H](CC(C)C)c3nc(-c4nc[nH]n4)no3)o2)cc1 ZINC000181947627 822042760 /nfs/dbraw/zinc/04/27/60/822042760.db2.gz FFVYMHNBZKLYSJ-QGZVFWFLSA-N 1 2 392.463 4.300 20 0 GIADLO COC(=O)c1ccc(Cl)c(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000181963700 822047117 /nfs/dbraw/zinc/04/71/17/822047117.db2.gz WSDVBWCUIGDGAV-CANCMXDXSA-N 1 2 379.909 4.057 20 0 GIADLO COC(=O)c1ccc(Cl)c(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000181963700 822047125 /nfs/dbraw/zinc/04/71/25/822047125.db2.gz WSDVBWCUIGDGAV-CANCMXDXSA-N 1 2 379.909 4.057 20 0 GIADLO C[C@H]([NH2+]Cc1csc(C2CCCCC2)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000182194803 822140952 /nfs/dbraw/zinc/14/09/52/822140952.db2.gz HLFUUMSAAHOPIL-AWEZNQCLSA-N 1 2 378.563 4.445 20 0 GIADLO C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1nc(-c2ccccc2)cs1 ZINC000177953152 822255933 /nfs/dbraw/zinc/25/59/33/822255933.db2.gz GXSFCMXSWHVSEF-AWEZNQCLSA-N 1 2 377.473 4.018 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(C(C)=O)c(Cl)c2)c1C ZINC000182505972 822273396 /nfs/dbraw/zinc/27/33/96/822273396.db2.gz HWASNLPPKMQXPJ-UHFFFAOYSA-N 1 2 375.856 4.227 20 0 GIADLO COc1ccccc1NC(=O)C1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000182523839 822282212 /nfs/dbraw/zinc/28/22/12/822282212.db2.gz ZPKIIZIIONACLO-UHFFFAOYSA-N 1 2 394.302 4.248 20 0 GIADLO Cc1cccc([C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C(C)(C)C)c1 ZINC000178094848 822317062 /nfs/dbraw/zinc/31/70/62/822317062.db2.gz ZWXOTSDNTASHOK-FQEVSTJZSA-N 1 2 390.487 4.023 20 0 GIADLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000182659319 822342233 /nfs/dbraw/zinc/34/22/33/822342233.db2.gz KFOYGXLEJGQSLZ-YCRPNKLZSA-N 1 2 375.896 4.461 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cc(Br)c(F)cc1Cl ZINC000178219298 822355070 /nfs/dbraw/zinc/35/50/70/822355070.db2.gz NXTDXTITGXZWRT-UHFFFAOYSA-N 1 2 397.635 4.211 20 0 GIADLO O=C(NCc1ccc(Cl)s1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178304656 822365395 /nfs/dbraw/zinc/36/53/95/822365395.db2.gz TYEGGGLRRJGAQM-FUHWJXTLSA-N 1 2 386.908 4.326 20 0 GIADLO COC(=O)Nc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc(C(F)(F)F)c1 ZINC000178305941 822365565 /nfs/dbraw/zinc/36/55/65/822365565.db2.gz KQLFZORHCIJHBH-UHFFFAOYSA-N 1 2 381.354 4.456 20 0 GIADLO CC(C)[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000045149722 822365806 /nfs/dbraw/zinc/36/58/06/822365806.db2.gz RFIZEBWIEJLLMR-JOCHJYFZSA-N 1 2 376.504 4.170 20 0 GIADLO CCOc1cccc([C@H](C)[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)c1 ZINC000178327216 822367619 /nfs/dbraw/zinc/36/76/19/822367619.db2.gz ADVQIVLIDWCEQU-INIZCTEOSA-N 1 2 395.528 4.323 20 0 GIADLO c1cc(-c2nc(C[NH2+]C3(c4ccc5c(c4)OCCO5)CCCC3)no2)cs1 ZINC000178355524 822370663 /nfs/dbraw/zinc/37/06/63/822370663.db2.gz UDEUPRLKNBUQQS-UHFFFAOYSA-N 1 2 383.473 4.128 20 0 GIADLO COc1cc(C[NH2+]C2(c3ccccc3F)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182809845 822371203 /nfs/dbraw/zinc/37/12/03/822371203.db2.gz BKJLWMFMVIPTEV-UHFFFAOYSA-N 1 2 396.365 4.165 20 0 GIADLO CC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@H](C)c1cccc(O)c1 ZINC000178379268 822373201 /nfs/dbraw/zinc/37/32/01/822373201.db2.gz XHMJYHDFPGDPIC-LLVKDONJSA-N 1 2 392.253 4.381 20 0 GIADLO CC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@H](C)c1cccc(O)c1 ZINC000178379268 822373204 /nfs/dbraw/zinc/37/32/04/822373204.db2.gz XHMJYHDFPGDPIC-LLVKDONJSA-N 1 2 392.253 4.381 20 0 GIADLO CC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@@H](C)c1cccc(O)c1 ZINC000178379251 822373274 /nfs/dbraw/zinc/37/32/74/822373274.db2.gz XHMJYHDFPGDPIC-NSHDSACASA-N 1 2 392.253 4.381 20 0 GIADLO CC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)[C@@H](C)c1cccc(O)c1 ZINC000178379251 822373280 /nfs/dbraw/zinc/37/32/80/822373280.db2.gz XHMJYHDFPGDPIC-NSHDSACASA-N 1 2 392.253 4.381 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2CCc3ccccc32)C[C@H](C)O1 ZINC000045305730 822377917 /nfs/dbraw/zinc/37/79/17/822377917.db2.gz XZFJLNKRAGEQEQ-HYFFOGBASA-N 1 2 379.504 4.105 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2CCc3ccccc32)C[C@H](C)O1 ZINC000045305730 822377920 /nfs/dbraw/zinc/37/79/20/822377920.db2.gz XZFJLNKRAGEQEQ-HYFFOGBASA-N 1 2 379.504 4.105 20 0 GIADLO O=C(c1ccccc1Cl)N1CCC(Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000182866564 822382106 /nfs/dbraw/zinc/38/21/06/822382106.db2.gz QRTGMGVQUPVQLV-UHFFFAOYSA-N 1 2 380.879 4.242 20 0 GIADLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)c(C(C)(C)C)n1 ZINC000453606232 822391951 /nfs/dbraw/zinc/39/19/51/822391951.db2.gz DCOWMLPVZBXNRQ-INIZCTEOSA-N 1 2 377.330 4.212 20 0 GIADLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)c(C(C)(C)C)n1 ZINC000453606232 822391953 /nfs/dbraw/zinc/39/19/53/822391953.db2.gz DCOWMLPVZBXNRQ-INIZCTEOSA-N 1 2 377.330 4.212 20 0 GIADLO CC(C)[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000182916908 822392258 /nfs/dbraw/zinc/39/22/58/822392258.db2.gz AYDKKVLUPRLVJG-QAPCUYQASA-N 1 2 378.879 4.247 20 0 GIADLO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1cc(Cl)cc(Cl)c1OC ZINC000453612576 822393101 /nfs/dbraw/zinc/39/31/01/822393101.db2.gz LRWHVQGVCVAXTH-UHFFFAOYSA-N 1 2 386.323 4.001 20 0 GIADLO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cc(Cl)cc(Cl)c1OC ZINC000453612576 822393103 /nfs/dbraw/zinc/39/31/03/822393103.db2.gz LRWHVQGVCVAXTH-UHFFFAOYSA-N 1 2 386.323 4.001 20 0 GIADLO O=C1[C@@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H]2CCCCN12 ZINC000453631159 822395841 /nfs/dbraw/zinc/39/58/41/822395841.db2.gz OQBNVBUPBDHUDW-CVEARBPZSA-N 1 2 395.450 4.072 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)c1ccc(-c2ccc(Br)s2)s1 ZINC000182957333 822399757 /nfs/dbraw/zinc/39/97/57/822399757.db2.gz MFBBZGAVBKKDDS-UHFFFAOYSA-N 1 2 396.335 4.256 20 0 GIADLO Cc1cc([C@@H](C)[NH2+]Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c(C)s1 ZINC000182989069 822406466 /nfs/dbraw/zinc/40/64/66/822406466.db2.gz PSLYRBYRDUPWEQ-GFCCVEGCSA-N 1 2 394.541 4.359 20 0 GIADLO O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178778026 822408987 /nfs/dbraw/zinc/40/89/87/822408987.db2.gz PYEPZKBAUHAVHK-UYAOXDASSA-N 1 2 379.891 4.199 20 0 GIADLO CC(C)Cn1ccnc1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178788502 822409871 /nfs/dbraw/zinc/40/98/71/822409871.db2.gz GXQCKXFCVULLMJ-INIZCTEOSA-N 1 2 378.314 4.305 20 0 GIADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178801682 822411519 /nfs/dbraw/zinc/41/15/19/822411519.db2.gz BQPSTJGJJRSAFP-YJRQDOMCSA-N 1 2 386.561 4.397 20 0 GIADLO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178801682 822411524 /nfs/dbraw/zinc/41/15/24/822411524.db2.gz BQPSTJGJJRSAFP-YJRQDOMCSA-N 1 2 386.561 4.397 20 0 GIADLO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178858116 822417168 /nfs/dbraw/zinc/41/71/68/822417168.db2.gz BSRIKJZRWIRIQI-HNNXBMFYSA-N 1 2 393.318 4.199 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000178875306 822418101 /nfs/dbraw/zinc/41/81/01/822418101.db2.gz ZQRGFTYZVRBCGW-MRXNPFEDSA-N 1 2 380.579 4.432 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000178875306 822418103 /nfs/dbraw/zinc/41/81/03/822418103.db2.gz ZQRGFTYZVRBCGW-MRXNPFEDSA-N 1 2 380.579 4.432 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1C ZINC000178909107 822420855 /nfs/dbraw/zinc/42/08/55/822420855.db2.gz XIPBLYSTSTWWAI-AZUAARDMSA-N 1 2 397.519 4.016 20 0 GIADLO COc1cc(-c2ccccc2)ccc1CNc1ccc[nH+]c1N1CCC(O)CC1 ZINC000183084993 822422662 /nfs/dbraw/zinc/42/26/62/822422662.db2.gz JIIWPRRXQVXWLV-UHFFFAOYSA-N 1 2 389.499 4.330 20 0 GIADLO Clc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cn(Cc3cccnc3)nn2)cc1 ZINC000183085227 822422838 /nfs/dbraw/zinc/42/28/38/822422838.db2.gz CIKYMCVQUXGPKT-NRFANRHFSA-N 1 2 381.911 4.492 20 0 GIADLO Clc1ccc([C@@H]2CCCCC[N@H+]2Cc2cn(Cc3cccnc3)nn2)cc1 ZINC000183085227 822422840 /nfs/dbraw/zinc/42/28/40/822422840.db2.gz CIKYMCVQUXGPKT-NRFANRHFSA-N 1 2 381.911 4.492 20 0 GIADLO COc1cc(-c2noc(C[NH2+][C@H](C)c3ccccc3-n3cccn3)n2)ccc1C ZINC000183149312 822431365 /nfs/dbraw/zinc/43/13/65/822431365.db2.gz DDBBNYTVROAYBE-MRXNPFEDSA-N 1 2 389.459 4.090 20 0 GIADLO CCC(CC)n1nc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000183163185 822433725 /nfs/dbraw/zinc/43/37/25/822433725.db2.gz LDYSBQAGAKVQOA-QZTJIDSGSA-N 1 2 398.551 4.414 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1-n1cccn1 ZINC000183167936 822434502 /nfs/dbraw/zinc/43/45/02/822434502.db2.gz OXBKBWKIKZMLFL-CQSZACIVSA-N 1 2 379.851 4.427 20 0 GIADLO CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000046019367 822435367 /nfs/dbraw/zinc/43/53/67/822435367.db2.gz RDEMZXOMHVOYDD-GOSISDBHSA-N 1 2 392.503 4.279 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000046019562 822435657 /nfs/dbraw/zinc/43/56/57/822435657.db2.gz LMYZCVCKMLNDIE-JOCHJYFZSA-N 1 2 389.503 4.153 20 0 GIADLO CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000046105385 822441295 /nfs/dbraw/zinc/44/12/95/822441295.db2.gz SABAJCJCYUDJAM-UHFFFAOYSA-N 1 2 392.459 4.401 20 0 GIADLO CCCc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cnn1Cc1ccccc1 ZINC000046105552 822441340 /nfs/dbraw/zinc/44/13/40/822441340.db2.gz OKVVBIZXDWCCMI-UHFFFAOYSA-N 1 2 385.471 4.322 20 0 GIADLO O=C(CSCc1coc(-c2ccccc2)n1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046118670 822442068 /nfs/dbraw/zinc/44/20/68/822442068.db2.gz GEHXHGLUVCGQOX-UHFFFAOYSA-N 1 2 390.468 4.399 20 0 GIADLO O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000179160455 822445826 /nfs/dbraw/zinc/44/58/26/822445826.db2.gz DGMBTXWNDKESHF-CNYBTUBUSA-N 1 2 395.812 4.076 20 0 GIADLO C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ncc(Br)s1 ZINC000179206657 822450952 /nfs/dbraw/zinc/45/09/52/822450952.db2.gz MAGCNJDLAKUWKU-GFCCVEGCSA-N 1 2 381.343 4.142 20 0 GIADLO C[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ncc(Br)s1 ZINC000179223227 822453563 /nfs/dbraw/zinc/45/35/63/822453563.db2.gz GVLVJHNNEVCXJT-TVQRCGJNSA-N 1 2 395.244 4.006 20 0 GIADLO Cc1ccc(C[NH2+][C@H](C)c2ncc(Br)s2)c(O[C@H]2CCOC2)c1 ZINC000179239313 822456127 /nfs/dbraw/zinc/45/61/27/822456127.db2.gz QJKBRQKRWMRNJH-OCCSQVGLSA-N 1 2 397.338 4.233 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc3ccccc3n2)C[C@H](C)O1 ZINC000046341582 822463248 /nfs/dbraw/zinc/46/32/48/822463248.db2.gz NGXATQXLNHFAIH-CALCHBBNSA-N 1 2 375.472 4.096 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc3ccccc3n2)C[C@H](C)O1 ZINC000046341582 822463250 /nfs/dbraw/zinc/46/32/50/822463250.db2.gz NGXATQXLNHFAIH-CALCHBBNSA-N 1 2 375.472 4.096 20 0 GIADLO Cc1ccc(OCCC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000046343514 822463589 /nfs/dbraw/zinc/46/35/89/822463589.db2.gz QPKCBGYCVLGIFM-PMACEKPBSA-N 1 2 396.531 4.320 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc3ncsc3c2)C[C@H](C)O1 ZINC000046342191 822463615 /nfs/dbraw/zinc/46/36/15/822463615.db2.gz BRCFGTHBQQGHAL-GASCZTMLSA-N 1 2 381.501 4.158 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc3ncsc3c2)C[C@H](C)O1 ZINC000046342191 822463616 /nfs/dbraw/zinc/46/36/16/822463616.db2.gz BRCFGTHBQQGHAL-GASCZTMLSA-N 1 2 381.501 4.158 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2nc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000046344006 822463813 /nfs/dbraw/zinc/46/38/13/822463813.db2.gz USEXYVWHQSCFBJ-STQMWFEESA-N 1 2 394.302 4.250 20 0 GIADLO CCCNC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183366227 822464330 /nfs/dbraw/zinc/46/43/30/822464330.db2.gz MCMIQMWMOGRZRW-JOCHJYFZSA-N 1 2 377.463 4.240 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454377501 822465268 /nfs/dbraw/zinc/46/52/68/822465268.db2.gz IJAPPOROQZQSNO-LJQANCHMSA-N 1 2 380.423 4.041 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1ccccc1 ZINC000183402941 822468756 /nfs/dbraw/zinc/46/87/56/822468756.db2.gz GTIXEIHBBBGDFJ-KSFYIVLOSA-N 1 2 392.503 4.076 20 0 GIADLO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000183406972 822469688 /nfs/dbraw/zinc/46/96/88/822469688.db2.gz ZEZQZNPAIYZAQZ-GGAORHGYSA-N 1 2 390.483 4.068 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC000183427210 822473371 /nfs/dbraw/zinc/47/33/71/822473371.db2.gz SSMAFVBCYDWHAT-UHFFFAOYSA-N 1 2 387.503 4.347 20 0 GIADLO Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000183433154 822474042 /nfs/dbraw/zinc/47/40/42/822474042.db2.gz GJJQIWHAENMVCW-UHFFFAOYSA-N 1 2 385.533 4.067 20 0 GIADLO Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000183433154 822474046 /nfs/dbraw/zinc/47/40/46/822474046.db2.gz GJJQIWHAENMVCW-UHFFFAOYSA-N 1 2 385.533 4.067 20 0 GIADLO Cc1ccc(CN(CCc2ccccc2)C(=O)[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000454465250 822479823 /nfs/dbraw/zinc/47/98/23/822479823.db2.gz MFBWFVWJBJDDQB-IBGZPJMESA-N 1 2 379.529 4.087 20 0 GIADLO CCn1c(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)nc2cc(F)ccc21 ZINC000183471401 822480211 /nfs/dbraw/zinc/48/02/11/822480211.db2.gz QNXPWLQIRXWONZ-GFCCVEGCSA-N 1 2 375.419 4.202 20 0 GIADLO CCn1c(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)nc2cc(F)ccc21 ZINC000183471385 822480214 /nfs/dbraw/zinc/48/02/14/822480214.db2.gz QNXPWLQIRXWONZ-LBPRGKRZSA-N 1 2 375.419 4.202 20 0 GIADLO Fc1ccc([C@@H]2C[N@H+](Cc3ccccc3OCc3ccccn3)CCO2)cc1 ZINC000179427579 822481032 /nfs/dbraw/zinc/48/10/32/822481032.db2.gz ZRDPJLHHPQCIRA-QHCPKHFHSA-N 1 2 378.447 4.373 20 0 GIADLO Fc1ccc([C@@H]2C[N@@H+](Cc3ccccc3OCc3ccccn3)CCO2)cc1 ZINC000179427579 822481033 /nfs/dbraw/zinc/48/10/33/822481033.db2.gz ZRDPJLHHPQCIRA-QHCPKHFHSA-N 1 2 378.447 4.373 20 0 GIADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454509017 822487338 /nfs/dbraw/zinc/48/73/38/822487338.db2.gz CYDMDFHTYJNGHG-RDJZCZTQSA-N 1 2 380.414 4.183 20 0 GIADLO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000183527826 822490245 /nfs/dbraw/zinc/49/02/45/822490245.db2.gz LDVDHPZOVSWMFS-FCHUYYIVSA-N 1 2 393.556 4.204 20 0 GIADLO O=C(CCCSc1ccc(Cl)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046619577 822493769 /nfs/dbraw/zinc/49/37/69/822493769.db2.gz CYMRWBJQXHCMAX-UHFFFAOYSA-N 1 2 389.952 4.393 20 0 GIADLO O=C(CCc1ccc(Cl)cc1Cl)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046619923 822494063 /nfs/dbraw/zinc/49/40/63/822494063.db2.gz JNUSCEZHPCHTEK-UHFFFAOYSA-N 1 2 378.303 4.106 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(OC(C)C)cc3)n2)c(OC)c1 ZINC000179531852 822498192 /nfs/dbraw/zinc/49/81/92/822498192.db2.gz CFTWLMDHJUDNLY-HNNXBMFYSA-N 1 2 397.475 4.392 20 0 GIADLO CC(C)Oc1cccc([C@H](C)NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000046652497 822499203 /nfs/dbraw/zinc/49/92/03/822499203.db2.gz ITIMMHPVYWBRKP-SFHVURJKSA-N 1 2 392.503 4.279 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000183617613 822501884 /nfs/dbraw/zinc/50/18/84/822501884.db2.gz HSRTTYMFRRWLHY-ZDUSSCGKSA-N 1 2 381.448 4.260 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1c(C2CC2)nc2sccn12 ZINC000179569442 822505120 /nfs/dbraw/zinc/50/51/20/822505120.db2.gz MFAMSUDFVIGBHR-UHFFFAOYSA-N 1 2 398.532 4.133 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1c(C2CC2)nc2sccn12 ZINC000179569442 822505122 /nfs/dbraw/zinc/50/51/22/822505122.db2.gz MFAMSUDFVIGBHR-UHFFFAOYSA-N 1 2 398.532 4.133 20 0 GIADLO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc2nccn21 ZINC000179576945 822506122 /nfs/dbraw/zinc/50/61/22/822506122.db2.gz MPTAHFHDMUFGIU-UHFFFAOYSA-N 1 2 390.409 4.202 20 0 GIADLO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc2nccn21 ZINC000179576945 822506127 /nfs/dbraw/zinc/50/61/27/822506127.db2.gz MPTAHFHDMUFGIU-UHFFFAOYSA-N 1 2 390.409 4.202 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000046720872 822509539 /nfs/dbraw/zinc/50/95/39/822509539.db2.gz INQRVYIMPWZONB-YJBOKZPZSA-N 1 2 391.471 4.237 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000046720872 822509541 /nfs/dbraw/zinc/50/95/41/822509541.db2.gz INQRVYIMPWZONB-YJBOKZPZSA-N 1 2 391.471 4.237 20 0 GIADLO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000179626456 822515224 /nfs/dbraw/zinc/51/52/24/822515224.db2.gz VXSYGAUMAFCNRV-CYBMUJFWSA-N 1 2 381.307 4.168 20 0 GIADLO C[C@H](c1cccc(NC(=O)N2CC(c3cccc(Cl)c3)C2)c1)[NH+]1CCOCC1 ZINC000454727859 822524148 /nfs/dbraw/zinc/52/41/48/822524148.db2.gz BTDSYQBOLNTLQS-MRXNPFEDSA-N 1 2 399.922 4.365 20 0 GIADLO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000179682428 822526442 /nfs/dbraw/zinc/52/64/42/822526442.db2.gz UGLSDGZNZZJPPK-AWEZNQCLSA-N 1 2 381.432 4.103 20 0 GIADLO CCc1cnccc1[C@@H](C)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454743058 822526736 /nfs/dbraw/zinc/52/67/36/822526736.db2.gz CZEDFCPOQAUDSE-CQSZACIVSA-N 1 2 383.883 4.044 20 0 GIADLO Cc1ccc(CN(C)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1C ZINC000454747994 822527543 /nfs/dbraw/zinc/52/75/43/822527543.db2.gz UGTHVQZPKRVHOB-LJQANCHMSA-N 1 2 381.520 4.361 20 0 GIADLO C[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc(F)cc1Cl ZINC000183789800 822528431 /nfs/dbraw/zinc/52/84/31/822528431.db2.gz ZDCFGCPANKEKOG-VIFPVBQESA-N 1 2 377.872 4.117 20 0 GIADLO O=C(NCC[C@@H]1CCc2ccccc21)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000454763242 822529747 /nfs/dbraw/zinc/52/97/47/822529747.db2.gz QFAHLGVLGWCOIP-IBGZPJMESA-N 1 2 390.487 4.204 20 0 GIADLO CSc1ccc([C@H](C)NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000046920765 822530961 /nfs/dbraw/zinc/53/09/61/822530961.db2.gz LXXLEBLWVIEOBI-INIZCTEOSA-N 1 2 380.517 4.214 20 0 GIADLO CN(Cc1cccc2ccccc21)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046921093 822530991 /nfs/dbraw/zinc/53/09/91/822530991.db2.gz YAJQVNRTOIWIST-UHFFFAOYSA-N 1 2 384.483 4.426 20 0 GIADLO CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)c1cccc(OC)c1 ZINC000046921374 822531275 /nfs/dbraw/zinc/53/12/75/822531275.db2.gz TZFRUTIPQRTNIJ-GOSISDBHSA-N 1 2 392.503 4.233 20 0 GIADLO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](c1cccc(C)c1)c1ccccn1 ZINC000183827856 822533096 /nfs/dbraw/zinc/53/30/96/822533096.db2.gz BVTWSNDQKXHQDG-MHECFPHRSA-N 1 2 390.483 4.382 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(-c3nccn3C)c2)CC1 ZINC000183827081 822533114 /nfs/dbraw/zinc/53/31/14/822533114.db2.gz FLGILYLFJNRQNY-MRXNPFEDSA-N 1 2 395.532 4.059 20 0 GIADLO Cc1cc([C@@H](C)[NH2+]Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)c(C)o1 ZINC000183840000 822534398 /nfs/dbraw/zinc/53/43/98/822534398.db2.gz PELHZWCMHPTSOZ-SNVBAGLBSA-N 1 2 399.804 4.395 20 0 GIADLO OCCC[C@@H]([NH2+]Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 ZINC000179729801 822536901 /nfs/dbraw/zinc/53/69/01/822536901.db2.gz RHDCQGYHCITOJZ-QGZVFWFLSA-N 1 2 391.393 4.359 20 0 GIADLO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000179739887 822539909 /nfs/dbraw/zinc/53/99/09/822539909.db2.gz OJPYJECEWPSDDT-AEFFLSMTSA-N 1 2 391.309 4.115 20 0 GIADLO COc1ccccc1COC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000179754887 822543770 /nfs/dbraw/zinc/54/37/70/822543770.db2.gz KVLFRXDXLLZGIC-UHFFFAOYSA-N 1 2 391.309 4.034 20 0 GIADLO O=C(N[C@H](c1ccccc1)C1CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000047095157 822544186 /nfs/dbraw/zinc/54/41/86/822544186.db2.gz SKQZNFFLIXMDCJ-JOCHJYFZSA-N 1 2 378.520 4.235 20 0 GIADLO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000179768443 822548647 /nfs/dbraw/zinc/54/86/47/822548647.db2.gz OCWXJCXTDSWAQJ-GJZGRUSLSA-N 1 2 386.496 4.003 20 0 GIADLO CC(C)CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000179768456 822548686 /nfs/dbraw/zinc/54/86/86/822548686.db2.gz OCWXJCXTDSWAQJ-LSDHHAIUSA-N 1 2 386.496 4.003 20 0 GIADLO O=C(Nc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1)c1ccco1 ZINC000047249576 822558585 /nfs/dbraw/zinc/55/85/85/822558585.db2.gz XTLNKNIESIWBAJ-UHFFFAOYSA-N 1 2 386.411 4.029 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](Cc3csc(-c4cnn(C)c4)n3)CC2)c(C)c1 ZINC000047266117 822560139 /nfs/dbraw/zinc/56/01/39/822560139.db2.gz WBABKGGHHXYCTB-UHFFFAOYSA-N 1 2 394.544 4.255 20 0 GIADLO C[C@@H](CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)Cc1ccc(Cl)cc1 ZINC000179836543 822563326 /nfs/dbraw/zinc/56/33/26/822563326.db2.gz VIRZIPZVNBEZTA-QGZVFWFLSA-N 1 2 381.907 4.470 20 0 GIADLO Cc1cccnc1C(C)(C)CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454965765 822564065 /nfs/dbraw/zinc/56/40/65/822564065.db2.gz ILNUWJZLHSNRHW-UHFFFAOYSA-N 1 2 397.910 4.006 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(-c3ncco3)c2)CC1 ZINC000184026536 822566832 /nfs/dbraw/zinc/56/68/32/822566832.db2.gz QTVFIMVSXBPASE-HNNXBMFYSA-N 1 2 382.489 4.314 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@@H](C)c2ccc(F)c(Br)c2)c[nH+]1 ZINC000455032709 822575689 /nfs/dbraw/zinc/57/56/89/822575689.db2.gz CPIASCLGUFYXJH-LBPRGKRZSA-N 1 2 380.261 4.160 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@H](C)c2ccc(F)c(Br)c2)c[nH+]1 ZINC000455032707 822575698 /nfs/dbraw/zinc/57/56/98/822575698.db2.gz CPIASCLGUFYXJH-GFCCVEGCSA-N 1 2 380.261 4.160 20 0 GIADLO Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000184127015 822582774 /nfs/dbraw/zinc/58/27/74/822582774.db2.gz HFWVVMYFDOAMSN-KRWDZBQOSA-N 1 2 395.532 4.153 20 0 GIADLO Cc1cc(CSc2ncccc2C(=O)Nc2cccc(-n3cc[nH+]c3)c2)no1 ZINC000047514552 822585702 /nfs/dbraw/zinc/58/57/02/822585702.db2.gz OGLYPDBINDRBBW-UHFFFAOYSA-N 1 2 391.456 4.108 20 0 GIADLO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514949 822585741 /nfs/dbraw/zinc/58/57/41/822585741.db2.gz NDNKEWURSJRCCN-UHFFFAOYSA-N 1 2 391.862 4.331 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000047540055 822588537 /nfs/dbraw/zinc/58/85/37/822588537.db2.gz MVKQQFNEESOYOQ-UHFFFAOYSA-N 1 2 379.551 4.361 20 0 GIADLO Cc1csc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)n1 ZINC000184166760 822589327 /nfs/dbraw/zinc/58/93/27/822589327.db2.gz HBDCWSJBBXULHU-HOTGVXAUSA-N 1 2 393.512 4.360 20 0 GIADLO CC[C@@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1nc(C)cs1 ZINC000455108961 822590101 /nfs/dbraw/zinc/59/01/01/822590101.db2.gz NGSQBGVCELTEHD-OAHLLOKOSA-N 1 2 389.912 4.241 20 0 GIADLO Cc1ccc(CN(C)C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047569440 822591756 /nfs/dbraw/zinc/59/17/56/822591756.db2.gz GLMCETUYJCYNCV-KDURUIRLSA-N 1 2 381.520 4.268 20 0 GIADLO Cc1ccc(CN(C)C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047569440 822591759 /nfs/dbraw/zinc/59/17/59/822591759.db2.gz GLMCETUYJCYNCV-KDURUIRLSA-N 1 2 381.520 4.268 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCCc2ccccc2)C[C@@H](C)O1 ZINC000047569899 822591794 /nfs/dbraw/zinc/59/17/94/822591794.db2.gz VAXOOQDVMLKCAT-WOJBJXKFSA-N 1 2 395.547 4.392 20 0 GIADLO C[C@H]1CCN(C(=O)c2cccc(Br)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000184189434 822593369 /nfs/dbraw/zinc/59/33/69/822593369.db2.gz NYPJMEJUQXCDNV-FZMZJTMJSA-N 1 2 382.689 4.022 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cccc(Br)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000184189416 822593425 /nfs/dbraw/zinc/59/34/25/822593425.db2.gz NYPJMEJUQXCDNV-RISCZKNCSA-N 1 2 382.689 4.022 20 0 GIADLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(-c4ccc(F)cc4)o3)ccc2NC1=O ZINC000180007021 822594745 /nfs/dbraw/zinc/59/47/45/822594745.db2.gz OXJZUMZVMTXLOF-FZKQIMNGSA-N 1 2 395.434 4.441 20 0 GIADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(COCc2ccco2)c1 ZINC000047604185 822595909 /nfs/dbraw/zinc/59/59/09/822595909.db2.gz ILQIEDRLWIAZNZ-FQEVSTJZSA-N 1 2 396.491 4.429 20 0 GIADLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(-c4ccccc4F)o3)ccc2NC1=O ZINC000180012710 822596414 /nfs/dbraw/zinc/59/64/14/822596414.db2.gz SYDHWWCSOQFXMK-FZKQIMNGSA-N 1 2 395.434 4.441 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cccc(CSc3ccccn3)c2)n1 ZINC000184225813 822599230 /nfs/dbraw/zinc/59/92/30/822599230.db2.gz XAMDZPUUZLYJOR-OAHLLOKOSA-N 1 2 398.557 4.428 20 0 GIADLO CCCOc1cc(C)ccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000047766268 822607845 /nfs/dbraw/zinc/60/78/45/822607845.db2.gz OGJMTBBQTZZRJE-UHFFFAOYSA-N 1 2 392.503 4.393 20 0 GIADLO CCCOc1cc(C)ccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000047766377 822607869 /nfs/dbraw/zinc/60/78/69/822607869.db2.gz XVJDSDQRLSROEN-UHFFFAOYSA-N 1 2 378.476 4.350 20 0 GIADLO O=C(Nc1ccc(SC2CCCC2)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000180075935 822610358 /nfs/dbraw/zinc/61/03/58/822610358.db2.gz MKHKBLMDCQYQKK-SFHVURJKSA-N 1 2 389.565 4.050 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2nc(-c3ccc(F)cc3)cs2)c1C ZINC000184301023 822610776 /nfs/dbraw/zinc/61/07/76/822610776.db2.gz QYEGRVQKUODILJ-UHFFFAOYSA-N 1 2 399.491 4.171 20 0 GIADLO COc1ccc2oc([C@H](C)[NH2+][C@H](C)c3nc4ccccc4c(=O)[nH]3)c(C)c2c1 ZINC000184330776 822616514 /nfs/dbraw/zinc/61/65/14/822616514.db2.gz KOWOZZKBGSUJKK-UONOGXRCSA-N 1 2 377.444 4.398 20 0 GIADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1c[nH]nc1C1CC1 ZINC000184376509 822624543 /nfs/dbraw/zinc/62/45/43/822624543.db2.gz AGBQKZBCUATPFM-UHFFFAOYSA-N 1 2 397.482 4.129 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccnc3ccccc23)CC1 ZINC000184376555 822624614 /nfs/dbraw/zinc/62/46/14/822624614.db2.gz CZJUTNDAEVOONM-LXXRFIIISA-N 1 2 377.513 4.215 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000184401098 822628869 /nfs/dbraw/zinc/62/88/69/822628869.db2.gz DASRTQHTNHOVDR-GFCCVEGCSA-N 1 2 398.841 4.162 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2nc(Cc3ccccc3)cs2)c1C ZINC000184417619 822631152 /nfs/dbraw/zinc/63/11/52/822631152.db2.gz ANMDLEBIYHWYDN-UHFFFAOYSA-N 1 2 396.516 4.418 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000184442218 822636016 /nfs/dbraw/zinc/63/60/16/822636016.db2.gz AIPQZSZRKCUBOI-CQSZACIVSA-N 1 2 379.476 4.274 20 0 GIADLO Cc1nc(-c2ccccc2)sc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000184460792 822639337 /nfs/dbraw/zinc/63/93/37/822639337.db2.gz OSVIIJMEVXPTMB-UHFFFAOYSA-N 1 2 393.516 4.304 20 0 GIADLO C[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1nc(-c2ccccc2)cs1 ZINC000184532630 822652365 /nfs/dbraw/zinc/65/23/65/822652365.db2.gz ARISERVWVDSILK-CYBMUJFWSA-N 1 2 378.453 4.473 20 0 GIADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 ZINC000184556947 822656960 /nfs/dbraw/zinc/65/69/60/822656960.db2.gz NJUAVKUFHVEAKX-QMTHXVAHSA-N 1 2 390.789 4.256 20 0 GIADLO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNc1cc(C)[nH+]c(C)n1 ZINC000180330266 822664596 /nfs/dbraw/zinc/66/45/96/822664596.db2.gz KGBIVROHVUUHLH-UHFFFAOYSA-N 1 2 392.246 4.121 20 0 GIADLO COc1ccc(Br)cc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455492468 822665142 /nfs/dbraw/zinc/66/51/42/822665142.db2.gz ZZAVTDFFTJKCKT-UHFFFAOYSA-N 1 2 378.270 4.100 20 0 GIADLO CSc1cccc(C)c1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000184609559 822665291 /nfs/dbraw/zinc/66/52/91/822665291.db2.gz BDDKUQHUDBOBOF-UHFFFAOYSA-N 1 2 394.500 4.195 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000455507176 822668277 /nfs/dbraw/zinc/66/82/77/822668277.db2.gz YPLGZLARIVDYJX-SFHVURJKSA-N 1 2 383.492 4.081 20 0 GIADLO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180365775 822670873 /nfs/dbraw/zinc/67/08/73/822670873.db2.gz AAYJZXNMNYLCRF-HXUWFJFHSA-N 1 2 376.460 4.159 20 0 GIADLO COc1cc(Br)ccc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455528623 822670910 /nfs/dbraw/zinc/67/09/10/822670910.db2.gz QUEHNXAMMFCKHX-UHFFFAOYSA-N 1 2 378.270 4.100 20 0 GIADLO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000184666080 822672888 /nfs/dbraw/zinc/67/28/88/822672888.db2.gz CKHIZMCLHPTTQL-CQSZACIVSA-N 1 2 377.423 4.127 20 0 GIADLO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000184666057 822672985 /nfs/dbraw/zinc/67/29/85/822672985.db2.gz CKHIZMCLHPTTQL-AWEZNQCLSA-N 1 2 377.423 4.127 20 0 GIADLO COC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(C)o1 ZINC000184670048 822673604 /nfs/dbraw/zinc/67/36/04/822673604.db2.gz DCOPCBXPYXJUMG-LRDDRELGSA-N 1 2 385.291 4.049 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3cccs3)cs2)cs1 ZINC000184699828 822678699 /nfs/dbraw/zinc/67/86/99/822678699.db2.gz CERKQUPLIRSPCO-SNVBAGLBSA-N 1 2 378.548 4.180 20 0 GIADLO C[C@H]([NH2+]Cc1cc(F)ccc1F)c1cc2c(cc1Br)OCCO2 ZINC000048786336 822683308 /nfs/dbraw/zinc/68/33/08/822683308.db2.gz UWLLGKMDCSFGFN-JTQLQIEISA-N 1 2 384.220 4.349 20 0 GIADLO COc1cccc(-c2nc(C[NH+]3CCN(c4cccc(OC)c4)CC3)cs2)c1 ZINC000048812480 822684225 /nfs/dbraw/zinc/68/42/25/822684225.db2.gz GSXMZMWGOZKBHZ-UHFFFAOYSA-N 1 2 395.528 4.150 20 0 GIADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1)c1ccc(C)o1 ZINC000184753806 822686193 /nfs/dbraw/zinc/68/61/93/822686193.db2.gz VMBBTMCXUJARTA-AVRDEDQJSA-N 1 2 392.499 4.483 20 0 GIADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Cc1ccccc1)c1ccc(C)o1 ZINC000184753840 822686209 /nfs/dbraw/zinc/68/62/09/822686209.db2.gz VMBBTMCXUJARTA-GCJKJVERSA-N 1 2 392.499 4.483 20 0 GIADLO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000455635010 822687753 /nfs/dbraw/zinc/68/77/53/822687753.db2.gz FJTIIRHOPJNOSQ-JTQLQIEISA-N 1 2 388.777 4.373 20 0 GIADLO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000455637367 822688348 /nfs/dbraw/zinc/68/83/48/822688348.db2.gz JHLSLVVJZYLSOU-UHFFFAOYSA-N 1 2 388.777 4.373 20 0 GIADLO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000455637367 822688351 /nfs/dbraw/zinc/68/83/51/822688351.db2.gz JHLSLVVJZYLSOU-UHFFFAOYSA-N 1 2 388.777 4.373 20 0 GIADLO CC(C)Oc1cccc([C@@H](C)NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000048965813 822689764 /nfs/dbraw/zinc/68/97/64/822689764.db2.gz KEMYPSCRESJRFQ-GOSISDBHSA-N 1 2 392.503 4.279 20 0 GIADLO O=C(Nc1cc(Cl)ccc1OC(F)(F)F)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000455644285 822689886 /nfs/dbraw/zinc/68/98/86/822689886.db2.gz UJQHHQWANPAKCS-UHFFFAOYSA-N 1 2 388.777 4.373 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)c(F)c1)c1nnnn1-c1ccccc1 ZINC000184803343 822692918 /nfs/dbraw/zinc/69/29/18/822692918.db2.gz BIXLSBXFTXGGSR-INIZCTEOSA-N 1 2 389.434 4.445 20 0 GIADLO CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000455666009 822695299 /nfs/dbraw/zinc/69/52/99/822695299.db2.gz VKCGDKWYQMMCNO-NZQKXSOJSA-N 1 2 388.515 4.041 20 0 GIADLO Cc1ccc(OCCCCNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000049326701 822698642 /nfs/dbraw/zinc/69/86/42/822698642.db2.gz FQQCFBFBRCMOHE-UHFFFAOYSA-N 1 2 397.544 4.160 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)o1 ZINC000184854173 822700894 /nfs/dbraw/zinc/70/08/94/822700894.db2.gz JWNBKHDGDAJYGG-DYVFJYSZSA-N 1 2 394.899 4.117 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)o1 ZINC000184854117 822700911 /nfs/dbraw/zinc/70/09/11/822700911.db2.gz JWNBKHDGDAJYGG-SUMWQHHRSA-N 1 2 394.899 4.117 20 0 GIADLO CCCOc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184872958 822704855 /nfs/dbraw/zinc/70/48/55/822704855.db2.gz HGJAWUHYQZHUMA-KRWDZBQOSA-N 1 2 393.487 4.097 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccc2c(c1)OCCO2 ZINC000184875353 822705113 /nfs/dbraw/zinc/70/51/13/822705113.db2.gz LMOCEEQDPNCCLE-MNOVXSKESA-N 1 2 396.256 4.477 20 0 GIADLO Cc1ccc2[nH+]c(CSc3n[nH]c(COc4ccc(Cl)cc4)n3)cn2c1 ZINC000049863681 822710659 /nfs/dbraw/zinc/71/06/59/822710659.db2.gz LGHLQENOBNAFCK-UHFFFAOYSA-N 1 2 385.880 4.286 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2OCCF)CC1 ZINC000455719963 822712989 /nfs/dbraw/zinc/71/29/89/822712989.db2.gz FQLPVCDVFPTCTF-HNNXBMFYSA-N 1 2 377.485 4.007 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccc2c(c1)OCO2 ZINC000184957823 822718379 /nfs/dbraw/zinc/71/83/79/822718379.db2.gz WPDCNBSJWFFZEZ-ZJUUUORDSA-N 1 2 382.229 4.434 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000184976058 822720522 /nfs/dbraw/zinc/72/05/22/822720522.db2.gz XMMUCXZTJGAWJE-SECBINFHSA-N 1 2 377.819 4.413 20 0 GIADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S ZINC000184978624 822720933 /nfs/dbraw/zinc/72/09/33/822720933.db2.gz IBEZMRDYLVPQDP-LIRRHRJNSA-N 1 2 399.564 4.317 20 0 GIADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S ZINC000184978624 822720934 /nfs/dbraw/zinc/72/09/34/822720934.db2.gz IBEZMRDYLVPQDP-LIRRHRJNSA-N 1 2 399.564 4.317 20 0 GIADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S ZINC000184978604 822720964 /nfs/dbraw/zinc/72/09/64/822720964.db2.gz IBEZMRDYLVPQDP-IFXJQAMLSA-N 1 2 399.564 4.317 20 0 GIADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S ZINC000184978604 822720965 /nfs/dbraw/zinc/72/09/65/822720965.db2.gz IBEZMRDYLVPQDP-IFXJQAMLSA-N 1 2 399.564 4.317 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)s1 ZINC000184995654 822723202 /nfs/dbraw/zinc/72/32/02/822723202.db2.gz ZQFPNKUSSIFAGZ-YWZLYKJASA-N 1 2 397.569 4.338 20 0 GIADLO COCc1c(C(=O)NCc2[nH+]cc(C)c(OC)c2C)sc2cccc(F)c21 ZINC000050448898 822729747 /nfs/dbraw/zinc/72/97/47/822729747.db2.gz UTZSMPLSMBQWCR-UHFFFAOYSA-N 1 2 388.464 4.137 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2oc3ccccc3c2COC(C)C)c1C ZINC000050449563 822729893 /nfs/dbraw/zinc/72/98/93/822729893.db2.gz CNGKAFQNOLKATQ-UHFFFAOYSA-N 1 2 382.460 4.308 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)c1nccs1 ZINC000185079417 822734185 /nfs/dbraw/zinc/73/41/85/822734185.db2.gz UVDSLXDEKBASOX-MRXNPFEDSA-N 1 2 397.548 4.306 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)c1C ZINC000050770664 822738408 /nfs/dbraw/zinc/73/84/08/822738408.db2.gz CXUOGHYMZXZWNC-UHFFFAOYSA-N 1 2 378.259 4.425 20 0 GIADLO CC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1nccs1 ZINC000185113852 822738818 /nfs/dbraw/zinc/73/88/18/822738818.db2.gz OKUNQUMGVLQDCD-CYBMUJFWSA-N 1 2 383.311 4.308 20 0 GIADLO CCSCc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000455872011 822740491 /nfs/dbraw/zinc/74/04/91/822740491.db2.gz KVJFQPRAXFBHGQ-UHFFFAOYSA-N 1 2 399.560 4.094 20 0 GIADLO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000050862994 822740541 /nfs/dbraw/zinc/74/05/41/822740541.db2.gz UVMSRUSJKWGOPT-XZOQPEGZSA-N 1 2 389.499 4.171 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3cc(C)no3)cs2)cc1 ZINC000050960305 822743251 /nfs/dbraw/zinc/74/32/51/822743251.db2.gz KTRMZDGJKIHYGV-KRWDZBQOSA-N 1 2 383.473 4.230 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3cc(C)no3)cs2)cc1 ZINC000050960305 822743254 /nfs/dbraw/zinc/74/32/54/822743254.db2.gz KTRMZDGJKIHYGV-KRWDZBQOSA-N 1 2 383.473 4.230 20 0 GIADLO CC(C)(NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1F ZINC000185163237 822744625 /nfs/dbraw/zinc/74/46/25/822744625.db2.gz ZZGASSCHMXRNGA-UHFFFAOYSA-N 1 2 390.890 4.077 20 0 GIADLO O=S(=O)(C1=Cc2ccccc2OCC1)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000185197064 822748131 /nfs/dbraw/zinc/74/81/31/822748131.db2.gz YERDODHCJOBDAX-UHFFFAOYSA-N 1 2 392.480 4.242 20 0 GIADLO COc1c(C)c[nH+]c(CN[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1C ZINC000051164917 822748940 /nfs/dbraw/zinc/74/89/40/822748940.db2.gz BZTDRQDCIGJLIH-OAQYLSRUSA-N 1 2 393.462 4.316 20 0 GIADLO C[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(Br)cc(F)c1O ZINC000185229024 822752040 /nfs/dbraw/zinc/75/20/40/822752040.db2.gz CEUCJYMCWWOOSQ-LBPRGKRZSA-N 1 2 390.256 4.330 20 0 GIADLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000455938713 822753457 /nfs/dbraw/zinc/75/34/57/822753457.db2.gz ZJFDLOWVILOJMR-DYESRHJHSA-N 1 2 397.881 4.486 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1C ZINC000051334582 822756641 /nfs/dbraw/zinc/75/66/41/822756641.db2.gz ZVEGZIARXIQFEY-KNQAVFIVSA-N 1 2 397.519 4.016 20 0 GIADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000455964342 822758100 /nfs/dbraw/zinc/75/81/00/822758100.db2.gz ZPOOCEUIUULCEV-WIYYLYMNSA-N 1 2 391.902 4.425 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000455964550 822758271 /nfs/dbraw/zinc/75/82/71/822758271.db2.gz CZJRYFXVAWFAPS-NHYWBVRUSA-N 1 2 397.704 4.414 20 0 GIADLO Cc1[nH]c2ccc(C(=O)NC3CC[NH+](c4ccc(N(C)C)cc4)CC3)cc2c1C ZINC000174281076 822762336 /nfs/dbraw/zinc/76/23/36/822762336.db2.gz TXVCZFBIJHWDBC-UHFFFAOYSA-N 1 2 390.531 4.250 20 0 GIADLO Cc1[nH]c2c(cccc2C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1C ZINC000174282463 822762590 /nfs/dbraw/zinc/76/25/90/822762590.db2.gz QOZBUCFOHMTPIG-UHFFFAOYSA-N 1 2 390.531 4.250 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000051500818 822763175 /nfs/dbraw/zinc/76/31/75/822763175.db2.gz BGKRULJBOINDRG-UHFFFAOYSA-N 1 2 376.884 4.206 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000051500818 822763178 /nfs/dbraw/zinc/76/31/78/822763178.db2.gz BGKRULJBOINDRG-UHFFFAOYSA-N 1 2 376.884 4.206 20 0 GIADLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C2CC2)n1 ZINC000455999192 822764349 /nfs/dbraw/zinc/76/43/49/822764349.db2.gz KXJTWKZDNSXIAH-QUCCMNQESA-N 1 2 387.886 4.235 20 0 GIADLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C2CC2)n1 ZINC000455999192 822764352 /nfs/dbraw/zinc/76/43/52/822764352.db2.gz KXJTWKZDNSXIAH-QUCCMNQESA-N 1 2 387.886 4.235 20 0 GIADLO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000174304369 822767921 /nfs/dbraw/zinc/76/79/21/822767921.db2.gz NEHQDVNJNNXNNI-UNMCSNQZSA-N 1 2 396.535 4.049 20 0 GIADLO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1cn(C)c2ccccc12 ZINC000185343109 822768772 /nfs/dbraw/zinc/76/87/72/822768772.db2.gz UHVCZDDTSRCBOI-GOSISDBHSA-N 1 2 390.531 4.374 20 0 GIADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000456040719 822769925 /nfs/dbraw/zinc/76/99/25/822769925.db2.gz NIGNJSIQOJHSBH-SOUVJXGZSA-N 1 2 378.303 4.237 20 0 GIADLO C[C@@H](CCOc1ccccc1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000174331419 822772446 /nfs/dbraw/zinc/77/24/46/822772446.db2.gz KKGOLMQBDFXNHM-SFHVURJKSA-N 1 2 393.487 4.141 20 0 GIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000185369125 822773214 /nfs/dbraw/zinc/77/32/14/822773214.db2.gz QZUSCDMMVCTMOG-UHFFFAOYSA-N 1 2 398.812 4.443 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CC1 ZINC000185381387 822775501 /nfs/dbraw/zinc/77/55/01/822775501.db2.gz UVMSDGLSZNTFAH-MRXNPFEDSA-N 1 2 399.560 4.252 20 0 GIADLO c1cn(-c2ccc(CNc3ccc(Cc4nnc5n4CCCCC5)cc3)cc2)c[nH+]1 ZINC000185389069 822777071 /nfs/dbraw/zinc/77/70/71/822777071.db2.gz GBWHQFRLCNJXHQ-UHFFFAOYSA-N 1 2 398.514 4.393 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(F)cc3Cl)CC2)cc1 ZINC000174364244 822778313 /nfs/dbraw/zinc/77/83/13/822778313.db2.gz ZMCSUKUXUHDZCA-UHFFFAOYSA-N 1 2 390.890 4.336 20 0 GIADLO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185434914 822783448 /nfs/dbraw/zinc/78/34/48/822783448.db2.gz BZKPDWHZQKBGEO-QFIPXVFZSA-N 1 2 381.451 4.040 20 0 GIADLO CC(C)[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)Cc1ccccn1 ZINC000052217796 822793314 /nfs/dbraw/zinc/79/33/14/822793314.db2.gz IOOVGGMSOWHHCU-UHFFFAOYSA-N 1 2 383.826 4.186 20 0 GIADLO CC(C)[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)Cc1ccccn1 ZINC000052217796 822793316 /nfs/dbraw/zinc/79/33/16/822793316.db2.gz IOOVGGMSOWHHCU-UHFFFAOYSA-N 1 2 383.826 4.186 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185525494 822793422 /nfs/dbraw/zinc/79/34/22/822793422.db2.gz LUKUNJMESGMHKN-AWEZNQCLSA-N 1 2 393.314 4.304 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)o1 ZINC000185548311 822795643 /nfs/dbraw/zinc/79/56/43/822795643.db2.gz JBLIQAPASALMST-BONVTDFDSA-N 1 2 386.261 4.488 20 0 GIADLO Cc1cc(NC(=O)C2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)no1 ZINC000052403276 822798371 /nfs/dbraw/zinc/79/83/71/822798371.db2.gz ZGKJCNFCLBSPIM-UHFFFAOYSA-N 1 2 388.537 4.338 20 0 GIADLO Fc1ccccc1-c1nnc(SCCCn2cc[nH+]c2)n1Cc1ccco1 ZINC000185619100 822802979 /nfs/dbraw/zinc/80/29/79/822802979.db2.gz HLFUWPUQULOLLO-UHFFFAOYSA-N 1 2 383.452 4.104 20 0 GIADLO Cc1ccc(-n2c(SCCCn3cc[nH+]c3)nnc2-c2ccccn2)cc1 ZINC000185619079 822802995 /nfs/dbraw/zinc/80/29/95/822802995.db2.gz OTYDGCOKKJENPW-UHFFFAOYSA-N 1 2 376.489 4.017 20 0 GIADLO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)C(=O)Nc1ccccc1C(C)C)CC2 ZINC000052636588 822805895 /nfs/dbraw/zinc/80/58/95/822805895.db2.gz RFEISUFLKNIPPB-MRXNPFEDSA-N 1 2 382.504 4.213 20 0 GIADLO COc1cc2c(cc1OC)C[N@H+]([C@H](C)C(=O)Nc1ccccc1C(C)C)CC2 ZINC000052636588 822805897 /nfs/dbraw/zinc/80/58/97/822805897.db2.gz RFEISUFLKNIPPB-MRXNPFEDSA-N 1 2 382.504 4.213 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)cc1OC ZINC000052661413 822806694 /nfs/dbraw/zinc/80/66/94/822806694.db2.gz JKGKDWBWFSWHKQ-YCRPNKLZSA-N 1 2 380.444 4.003 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847892 822812951 /nfs/dbraw/zinc/81/29/51/822812951.db2.gz RCOCHDZJMYYZNY-LBPRGKRZSA-N 1 2 397.338 4.287 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847892 822812954 /nfs/dbraw/zinc/81/29/54/822812954.db2.gz RCOCHDZJMYYZNY-LBPRGKRZSA-N 1 2 397.338 4.287 20 0 GIADLO Cc1ccc(-c2nc(C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)cs2)o1 ZINC000052926522 822815915 /nfs/dbraw/zinc/81/59/15/822815915.db2.gz JWLFJNWDJJOJBP-UHFFFAOYSA-N 1 2 377.510 4.201 20 0 GIADLO CC(=O)Nc1nc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)cs1 ZINC000052993576 822817992 /nfs/dbraw/zinc/81/79/92/822817992.db2.gz RYJKYIHHHZLKHV-UHFFFAOYSA-N 1 2 390.896 4.276 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174664729 822820698 /nfs/dbraw/zinc/82/06/98/822820698.db2.gz AVQNQZBAZXKZOE-NSHDSACASA-N 1 2 376.229 4.489 20 0 GIADLO CCCCn1c(SC[C@H](O)c2ccc(C)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000174668858 822821251 /nfs/dbraw/zinc/82/12/51/822821251.db2.gz LXKIJUMDPBGPQP-ROUUACIJSA-N 1 2 376.570 4.225 20 0 GIADLO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1cn(C)c2ccccc12 ZINC000185834911 822825781 /nfs/dbraw/zinc/82/57/81/822825781.db2.gz VTWNJLYOEBHBOB-UPNLOYSTSA-N 1 2 397.469 4.122 20 0 GIADLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1cn(C)c2ccccc12 ZINC000185834911 822825784 /nfs/dbraw/zinc/82/57/84/822825784.db2.gz VTWNJLYOEBHBOB-UPNLOYSTSA-N 1 2 397.469 4.122 20 0 GIADLO Cc1ccc(C)c([C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@H](C)CO2)c1 ZINC000174708968 822826674 /nfs/dbraw/zinc/82/66/74/822826674.db2.gz MRSYNXCQVYNIQR-GCJKJVERSA-N 1 2 375.472 4.091 20 0 GIADLO COCCn1c2ccccc2[nH+]c1NCc1c(C)nn(-c2ccccc2)c1C ZINC000185844742 822826775 /nfs/dbraw/zinc/82/67/75/822826775.db2.gz MEUIYGYQDPDTRK-UHFFFAOYSA-N 1 2 375.476 4.097 20 0 GIADLO c1ccc(-c2cnc(C[NH2+]Cc3cccc(OCc4ccccn4)c3)nc2)cc1 ZINC000185872466 822828957 /nfs/dbraw/zinc/82/89/57/822828957.db2.gz PHSIRDRFRBFFKG-UHFFFAOYSA-N 1 2 382.467 4.407 20 0 GIADLO COc1ccc2c(C[N@@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)cc(=O)oc2c1 ZINC000053369275 822832127 /nfs/dbraw/zinc/83/21/27/822832127.db2.gz HMEJEKNPMLIFCU-FQEVSTJZSA-N 1 2 385.847 4.029 20 0 GIADLO COc1ccc2c(C[N@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)cc(=O)oc2c1 ZINC000053369275 822832130 /nfs/dbraw/zinc/83/21/30/822832130.db2.gz HMEJEKNPMLIFCU-FQEVSTJZSA-N 1 2 385.847 4.029 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000174760938 822833787 /nfs/dbraw/zinc/83/37/87/822833787.db2.gz IEZATIMNSCCABZ-UHFFFAOYSA-N 1 2 376.847 4.251 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1nc(C(F)(F)F)cs1 ZINC000185924006 822834042 /nfs/dbraw/zinc/83/40/42/822834042.db2.gz AGFFYOZAFWXNET-JTQLQIEISA-N 1 2 379.354 4.120 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000185950280 822836360 /nfs/dbraw/zinc/83/63/60/822836360.db2.gz VBWJQMPQBSMLLA-RWMBFGLXSA-N 1 2 377.476 4.240 20 0 GIADLO COc1ccc(-c2nc(C)c(C(=O)NCc3c[nH+]c(C)cc3C)s2)cc1OC ZINC000456839648 822837039 /nfs/dbraw/zinc/83/70/39/822837039.db2.gz DBEFUEIDGJYMKU-UHFFFAOYSA-N 1 2 397.500 4.078 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)c1nc(C(F)(F)F)cs1 ZINC000185960993 822837899 /nfs/dbraw/zinc/83/78/99/822837899.db2.gz ZWDLZBJMSCMUNZ-OAHLLOKOSA-N 1 2 397.466 4.394 20 0 GIADLO CC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000174845073 822845541 /nfs/dbraw/zinc/84/55/41/822845541.db2.gz IWWWHBNVRFQXBN-DOMZBBRYSA-N 1 2 397.466 4.176 20 0 GIADLO CC[C@H](NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000174845073 822845544 /nfs/dbraw/zinc/84/55/44/822845544.db2.gz IWWWHBNVRFQXBN-DOMZBBRYSA-N 1 2 397.466 4.176 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000053718009 822845789 /nfs/dbraw/zinc/84/57/89/822845789.db2.gz QIRVDHKWJUPEFK-OAQYLSRUSA-N 1 2 392.478 4.404 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000053718009 822845792 /nfs/dbraw/zinc/84/57/92/822845792.db2.gz QIRVDHKWJUPEFK-OAQYLSRUSA-N 1 2 392.478 4.404 20 0 GIADLO Fc1cc(F)cc(C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)c1 ZINC000186095531 822851054 /nfs/dbraw/zinc/85/10/54/822851054.db2.gz VCVSQDXDNQZIPO-GOSISDBHSA-N 1 2 390.231 4.397 20 0 GIADLO CCc1c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1ccc(Cl)cc1 ZINC000186095439 822851131 /nfs/dbraw/zinc/85/11/31/822851131.db2.gz TWJJWFXACDQLKW-YWZLYKJASA-N 1 2 397.910 4.008 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(Cl)ccc1OC ZINC000174896828 822852218 /nfs/dbraw/zinc/85/22/18/822852218.db2.gz WDJLDXAEBWYHDL-UHFFFAOYSA-N 1 2 387.911 4.122 20 0 GIADLO C[C@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cn(C)c2ccccc12 ZINC000186108415 822852368 /nfs/dbraw/zinc/85/23/68/822852368.db2.gz NKUNZUTWSZXIQS-HNNXBMFYSA-N 1 2 382.533 4.363 20 0 GIADLO COC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)CC1 ZINC000053898153 822852423 /nfs/dbraw/zinc/85/24/23/822852423.db2.gz XVEGQLCYLYBFPZ-UHFFFAOYSA-N 1 2 388.895 4.490 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000174898775 822852602 /nfs/dbraw/zinc/85/26/02/822852602.db2.gz MDHOXSJZOHXEIR-FCHUYYIVSA-N 1 2 377.532 4.259 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000174900210 822852723 /nfs/dbraw/zinc/85/27/23/822852723.db2.gz WTESGZQJBBQBHI-UHFFFAOYSA-N 1 2 380.467 4.081 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cnc(C(C)(C)C)s1 ZINC000174908824 822854283 /nfs/dbraw/zinc/85/42/83/822854283.db2.gz IDRCADVQECBTLI-UHFFFAOYSA-N 1 2 386.565 4.214 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C=C(\C)c1ccccc1OC ZINC000174915293 822855303 /nfs/dbraw/zinc/85/53/03/822855303.db2.gz MEQKQEHUPUTAKS-HTXNQAPBSA-N 1 2 393.531 4.259 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC000186154465 822856342 /nfs/dbraw/zinc/85/63/42/822856342.db2.gz UDKZFIGQFYKYJA-GOSISDBHSA-N 1 2 383.561 4.164 20 0 GIADLO C[C@@H]1CC[N@H+](Cn2nc(-c3ccc(F)cc3)n(C[C@@H]3CCCO3)c2=S)[C@@H]1C ZINC000174956304 822860927 /nfs/dbraw/zinc/86/09/27/822860927.db2.gz IDVLUBVIMMYSLY-RKVPGOIHSA-N 1 2 390.528 4.087 20 0 GIADLO C[C@@H]1CC[N@@H+](Cn2nc(-c3ccc(F)cc3)n(C[C@@H]3CCCO3)c2=S)[C@@H]1C ZINC000174956304 822860929 /nfs/dbraw/zinc/86/09/29/822860929.db2.gz IDVLUBVIMMYSLY-RKVPGOIHSA-N 1 2 390.528 4.087 20 0 GIADLO CN(C)c1nc2sc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)cc2s1 ZINC000054114705 822862869 /nfs/dbraw/zinc/86/28/69/822862869.db2.gz LXNZPGGFPRFEDG-UHFFFAOYSA-N 1 2 387.465 4.001 20 0 GIADLO C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1nc(C(F)(F)F)cs1 ZINC000174973875 822863120 /nfs/dbraw/zinc/86/31/20/822863120.db2.gz XGMITBVWKQPTTL-OAHLLOKOSA-N 1 2 397.466 4.178 20 0 GIADLO C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1nc(C(F)(F)F)cs1 ZINC000174973875 822863124 /nfs/dbraw/zinc/86/31/24/822863124.db2.gz XGMITBVWKQPTTL-OAHLLOKOSA-N 1 2 397.466 4.178 20 0 GIADLO CC(=O)Nc1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ccc1C ZINC000175005586 822866169 /nfs/dbraw/zinc/86/61/69/822866169.db2.gz JZHWBJJDEGBDTH-OAQYLSRUSA-N 1 2 383.467 4.086 20 0 GIADLO CC(=O)Nc1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ccc1C ZINC000175005586 822866173 /nfs/dbraw/zinc/86/61/73/822866173.db2.gz JZHWBJJDEGBDTH-OAQYLSRUSA-N 1 2 383.467 4.086 20 0 GIADLO C[C@H](c1nnc(SCc2nc3ccccc3[nH]2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000054186960 822866543 /nfs/dbraw/zinc/86/65/43/822866543.db2.gz KGUQDQJBRGOKBE-CYBMUJFWSA-N 1 2 396.495 4.198 20 0 GIADLO COc1cc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ccc1OC(C)C ZINC000186269925 822867723 /nfs/dbraw/zinc/86/77/23/822867723.db2.gz ODXJFXDTYYVEIS-UHFFFAOYSA-N 1 2 398.507 4.189 20 0 GIADLO O=C([C@@H]1CCCc2[nH+]ccn21)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457339758 822868393 /nfs/dbraw/zinc/86/83/93/822868393.db2.gz AXHPHVFRKFHPJH-IRXDYDNUSA-N 1 2 383.883 4.044 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2Cl)cc1OC ZINC000175019160 822868404 /nfs/dbraw/zinc/86/84/04/822868404.db2.gz AWJXVRVFMNNNLY-NWDGAFQWSA-N 1 2 380.847 4.174 20 0 GIADLO Cc1ccc(C[C@H]2CCCN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C2)cc1 ZINC000569027200 822870842 /nfs/dbraw/zinc/87/08/42/822870842.db2.gz KFNXUNMXMFSAPD-JOCHJYFZSA-N 1 2 388.515 4.345 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3coc(-c4ccccc4)n3)n2)C1 ZINC000054277583 822872706 /nfs/dbraw/zinc/87/27/06/822872706.db2.gz XYLREAYFPKTADO-HNNXBMFYSA-N 1 2 396.516 4.211 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3coc(-c4ccccc4)n3)n2)C1 ZINC000054277583 822872707 /nfs/dbraw/zinc/87/27/07/822872707.db2.gz XYLREAYFPKTADO-HNNXBMFYSA-N 1 2 396.516 4.211 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000054297740 822873707 /nfs/dbraw/zinc/87/37/07/822873707.db2.gz NKWLFBHEOWEIFK-HNNXBMFYSA-N 1 2 386.442 4.195 20 0 GIADLO CCOc1c(F)cccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000175125435 822887609 /nfs/dbraw/zinc/88/76/09/822887609.db2.gz AZRKUEAHVYMLCA-ZDUSSCGKSA-N 1 2 377.485 4.165 20 0 GIADLO CCOc1c(F)cccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000175125435 822887615 /nfs/dbraw/zinc/88/76/15/822887615.db2.gz AZRKUEAHVYMLCA-ZDUSSCGKSA-N 1 2 377.485 4.165 20 0 GIADLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)nc1C1CC1 ZINC000054466319 822887717 /nfs/dbraw/zinc/88/77/17/822887717.db2.gz KCOAOZXGOZCEEN-INIZCTEOSA-N 1 2 395.532 4.456 20 0 GIADLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)nc1C1CC1 ZINC000054466319 822887721 /nfs/dbraw/zinc/88/77/21/822887721.db2.gz KCOAOZXGOZCEEN-INIZCTEOSA-N 1 2 395.532 4.456 20 0 GIADLO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2nc(CC(F)(F)F)no2)cc1 ZINC000569175550 822889009 /nfs/dbraw/zinc/88/90/09/822889009.db2.gz PFUBPQJFIVSKMH-KRWDZBQOSA-N 1 2 391.393 4.257 20 0 GIADLO CCOc1c(F)cccc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175139113 822890143 /nfs/dbraw/zinc/89/01/43/822890143.db2.gz ZHPVLFQYUJCTDO-IYBDPMFKSA-N 1 2 386.467 4.086 20 0 GIADLO CCOc1c(F)cccc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175139113 822890149 /nfs/dbraw/zinc/89/01/49/822890149.db2.gz ZHPVLFQYUJCTDO-IYBDPMFKSA-N 1 2 386.467 4.086 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)NC1(Cc2cccc(Cl)c2)CC1 ZINC000457554788 822890340 /nfs/dbraw/zinc/89/03/40/822890340.db2.gz LFEKADWVMODJNF-UHFFFAOYSA-N 1 2 394.906 4.159 20 0 GIADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2Cc3ccc(OC)cc3C3(CC3)C2)c1C ZINC000569276248 822900174 /nfs/dbraw/zinc/90/01/74/822900174.db2.gz APVFMGYBFJRYQF-KRWDZBQOSA-N 1 2 396.531 4.051 20 0 GIADLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2Cc3ccc(OC)cc3C3(CC3)C2)c1C ZINC000569276248 822900178 /nfs/dbraw/zinc/90/01/78/822900178.db2.gz APVFMGYBFJRYQF-KRWDZBQOSA-N 1 2 396.531 4.051 20 0 GIADLO Cn1c2ccc(NS(=O)(=O)C3=Cc4ccccc4OCC3)cc2[nH+]c1C1CC1 ZINC000186486784 822903102 /nfs/dbraw/zinc/90/31/02/822903102.db2.gz WJFFDPPSSAEMKY-UHFFFAOYSA-N 1 2 395.484 4.016 20 0 GIADLO Cc1c(Cl)cncc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457667237 822903774 /nfs/dbraw/zinc/90/37/74/822903774.db2.gz KTVVAIKMAVFDCX-SJORKVTESA-N 1 2 382.266 4.011 20 0 GIADLO Cc1c(Cl)cncc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457667237 822903777 /nfs/dbraw/zinc/90/37/77/822903777.db2.gz KTVVAIKMAVFDCX-SJORKVTESA-N 1 2 382.266 4.011 20 0 GIADLO O=C(NCCc1ccc(Cl)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000569307354 822905076 /nfs/dbraw/zinc/90/50/76/822905076.db2.gz WAQXIWMJOREYPH-UHFFFAOYSA-N 1 2 386.927 4.005 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000457687637 822906671 /nfs/dbraw/zinc/90/66/71/822906671.db2.gz AZIODGJTIGZGBL-OVWKYPIYSA-N 1 2 378.385 4.037 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000457687637 822906676 /nfs/dbraw/zinc/90/66/76/822906676.db2.gz AZIODGJTIGZGBL-OVWKYPIYSA-N 1 2 378.385 4.037 20 0 GIADLO C[C@@H](CC(=O)Nc1nc(-c2ccc(Br)cc2)cs1)n1cc[nH+]c1 ZINC000569325109 822907837 /nfs/dbraw/zinc/90/78/37/822907837.db2.gz QSFKPHCXJWSXDD-NSHDSACASA-N 1 2 391.294 4.359 20 0 GIADLO Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000569391141 822915354 /nfs/dbraw/zinc/91/53/54/822915354.db2.gz LTHZDPBPYLMTCE-SHTZXODSSA-N 1 2 382.489 4.260 20 0 GIADLO C[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccc(F)c(F)c1 ZINC000175267937 822919764 /nfs/dbraw/zinc/91/97/64/822919764.db2.gz ORDXWLOFNAJIQO-CYBMUJFWSA-N 1 2 387.455 4.202 20 0 GIADLO CCCOc1ccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000569417554 822920151 /nfs/dbraw/zinc/92/01/51/822920151.db2.gz SBTYDVRLLBAKCT-UHFFFAOYSA-N 1 2 392.503 4.028 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000457801931 822920666 /nfs/dbraw/zinc/92/06/66/822920666.db2.gz YUDPDTSGABZLNC-LQWHRVPQSA-N 1 2 378.520 4.027 20 0 GIADLO Cc1occc1-c1nn(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(=S)n1C ZINC000055018654 822931997 /nfs/dbraw/zinc/93/19/97/822931997.db2.gz SCNCYCBBIJSEHU-QGZVFWFLSA-N 1 2 386.496 4.323 20 0 GIADLO Cc1occc1-c1nn(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(=S)n1C ZINC000055018654 822932000 /nfs/dbraw/zinc/93/20/00/822932000.db2.gz SCNCYCBBIJSEHU-QGZVFWFLSA-N 1 2 386.496 4.323 20 0 GIADLO CC(C)(NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(F)c(F)c1 ZINC000175347756 822941380 /nfs/dbraw/zinc/94/13/80/822941380.db2.gz AUMLJDWSBMMWLB-UHFFFAOYSA-N 1 2 388.462 4.085 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(OC(F)(F)F)cc3)cn2c1 ZINC000055254554 822948107 /nfs/dbraw/zinc/94/81/07/822948107.db2.gz PLHWUOKAKSBKGZ-UHFFFAOYSA-N 1 2 395.406 4.413 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)c3cc4ccccc4o3)cn2c1 ZINC000055254670 822948139 /nfs/dbraw/zinc/94/81/39/822948139.db2.gz IIUJRMAEJIWEBF-OAHLLOKOSA-N 1 2 379.485 4.500 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000569646300 822949457 /nfs/dbraw/zinc/94/94/57/822949457.db2.gz UXPBEAQKMPFMFY-NHCUHLMSSA-N 1 2 378.520 4.207 20 0 GIADLO Cc1nc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000569672470 822953615 /nfs/dbraw/zinc/95/36/15/822953615.db2.gz KTVNBTTUOWEMEB-KPHUOKFYSA-N 1 2 376.884 4.072 20 0 GIADLO Cc1nc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000569672470 822953619 /nfs/dbraw/zinc/95/36/19/822953619.db2.gz KTVNBTTUOWEMEB-KPHUOKFYSA-N 1 2 376.884 4.072 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000186777348 822953729 /nfs/dbraw/zinc/95/37/29/822953729.db2.gz JETXEGWIPBBRPH-GOSISDBHSA-N 1 2 388.393 4.018 20 0 GIADLO Cc1c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nnn1-c1ccccc1 ZINC000055388446 822956615 /nfs/dbraw/zinc/95/66/15/822956615.db2.gz BNMBUMHIABMSCT-UHFFFAOYSA-N 1 2 398.470 4.028 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000186818462 822960447 /nfs/dbraw/zinc/96/04/47/822960447.db2.gz FWWGPVUHEYEFEB-UHFFFAOYSA-N 1 2 389.499 4.445 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000186818462 822960451 /nfs/dbraw/zinc/96/04/51/822960451.db2.gz FWWGPVUHEYEFEB-UHFFFAOYSA-N 1 2 389.499 4.445 20 0 GIADLO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000175432954 822967238 /nfs/dbraw/zinc/96/72/38/822967238.db2.gz SWUKYUZELIUBFS-HTAPYJJXSA-N 1 2 392.478 4.363 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000175433224 822967482 /nfs/dbraw/zinc/96/74/82/822967482.db2.gz VEMHCYCIFDBDBR-VGSWGCGISA-N 1 2 392.478 4.363 20 0 GIADLO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175433152 822967557 /nfs/dbraw/zinc/96/75/57/822967557.db2.gz MASQVLRFQXXIKP-HSZRJFAPSA-N 1 2 390.531 4.403 20 0 GIADLO Cc1ccc(Oc2ccc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)nc2)cc1 ZINC000569786911 822969155 /nfs/dbraw/zinc/96/91/55/822969155.db2.gz ZJFDIVPBENWQEN-UWJYYQICSA-N 1 2 376.460 4.102 20 0 GIADLO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000569789530 822969353 /nfs/dbraw/zinc/96/93/53/822969353.db2.gz JVKZWJFMDAUGLV-VIZZQPHQSA-N 1 2 383.879 4.277 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000186861922 822970289 /nfs/dbraw/zinc/97/02/89/822970289.db2.gz MQKXQULKLYYFPV-SFHVURJKSA-N 1 2 391.515 4.061 20 0 GIADLO Cn1c[nH+]c(CCNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)c1 ZINC000458242414 822973159 /nfs/dbraw/zinc/97/31/59/822973159.db2.gz QXHKXARMNGQNPG-INIZCTEOSA-N 1 2 382.430 4.068 20 0 GIADLO CC(C)(C)c1nnsc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000569878989 822979971 /nfs/dbraw/zinc/97/99/71/822979971.db2.gz BQGAPRIPIAGRPW-HNNXBMFYSA-N 1 2 392.956 4.056 20 0 GIADLO Cc1cccn2cc(CC(=O)Nc3ccccc3O[C@@H](C)C(F)(F)F)[nH+]c12 ZINC000569886330 822980686 /nfs/dbraw/zinc/98/06/86/822980686.db2.gz ZEPRLYHQTULFSR-ZDUSSCGKSA-N 1 2 377.366 4.154 20 0 GIADLO COc1cc2c(cc1C[NH2+][C@@H](C)c1ncc(Br)cc1F)O[C@@H](C)C2 ZINC000186980909 822991711 /nfs/dbraw/zinc/99/17/11/822991711.db2.gz MGFPLTXJLWUDSK-QWRGUYRKSA-N 1 2 395.272 4.166 20 0 GIADLO COc1cc2c(cc1C[NH2+][C@@H](C)c1ncc(Br)cc1F)O[C@H](C)C2 ZINC000186980887 822991796 /nfs/dbraw/zinc/99/17/96/822991796.db2.gz MGFPLTXJLWUDSK-MNOVXSKESA-N 1 2 395.272 4.166 20 0 GIADLO CN(C(=O)NCCn1cc[nH+]c1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000175540846 822993691 /nfs/dbraw/zinc/99/36/91/822993691.db2.gz ZYQCOHMOJJSIIW-LJQANCHMSA-N 1 2 386.858 4.107 20 0 GIADLO COc1ccccc1[C@H](C)CC(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000175554607 822996326 /nfs/dbraw/zinc/99/63/26/822996326.db2.gz VQJOYRUSDHNMNL-QZTJIDSGSA-N 1 2 384.495 4.233 20 0 GIADLO CCCOc1ccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)c(OC)c1 ZINC000570041964 823000115 /nfs/dbraw/zinc/00/01/15/823000115.db2.gz TWDUQQAOKCAGLQ-UHFFFAOYSA-N 1 2 378.432 4.081 20 0 GIADLO O=C(CCC(=O)c1ccc2ccccc2c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696185 823000391 /nfs/dbraw/zinc/00/03/91/823000391.db2.gz MLMSXELRRRXNJZ-UHFFFAOYSA-N 1 2 383.451 4.305 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCCc3occc3C2)o1 ZINC000570123628 823007836 /nfs/dbraw/zinc/00/78/36/823007836.db2.gz MNJCXGONYIMGMR-UHFFFAOYSA-N 1 2 376.416 4.241 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCCc3occc3C2)o1 ZINC000570123628 823007838 /nfs/dbraw/zinc/00/78/38/823007838.db2.gz MNJCXGONYIMGMR-UHFFFAOYSA-N 1 2 376.416 4.241 20 0 GIADLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000187088157 823009081 /nfs/dbraw/zinc/00/90/81/823009081.db2.gz VLDPZILBWJTDPM-MGPUTAFESA-N 1 2 381.863 4.128 20 0 GIADLO Cc1ccc(C2(CNC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)CCCC2)c(C)c1 ZINC000570138780 823009537 /nfs/dbraw/zinc/00/95/37/823009537.db2.gz XMYFFQLNPMYYDB-LJQANCHMSA-N 1 2 380.536 4.048 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ncc(Br)cc1F ZINC000187125336 823014267 /nfs/dbraw/zinc/01/42/67/823014267.db2.gz DQQDRNIYXVLEPD-LLVKDONJSA-N 1 2 380.261 4.018 20 0 GIADLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(OCc2ccccc2F)nc1 ZINC000187130552 823015150 /nfs/dbraw/zinc/01/51/50/823015150.db2.gz LKWRWYZCGCDIIO-MUUNZHRXSA-N 1 2 398.503 4.169 20 0 GIADLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(OCc2ccccc2F)nc1 ZINC000187130552 823015154 /nfs/dbraw/zinc/01/51/54/823015154.db2.gz LKWRWYZCGCDIIO-MUUNZHRXSA-N 1 2 398.503 4.169 20 0 GIADLO Cc1ccc(C[S@](=O)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c(C)[nH+]1 ZINC000187142070 823017050 /nfs/dbraw/zinc/01/70/50/823017050.db2.gz FDROZACOZSJPPM-MHZLTWQESA-N 1 2 395.406 4.216 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000187153366 823018251 /nfs/dbraw/zinc/01/82/51/823018251.db2.gz JORZTNJTWWWIIH-UHFFFAOYSA-N 1 2 398.551 4.065 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccccc1OC(C)C ZINC000187154165 823018311 /nfs/dbraw/zinc/01/83/11/823018311.db2.gz VCFSEKLGLHVGFL-UHFFFAOYSA-N 1 2 381.925 4.211 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC2(CCCC2)c2ccccc21 ZINC000175679193 823018773 /nfs/dbraw/zinc/01/87/73/823018773.db2.gz BIJSWCGKQCSFCA-UHFFFAOYSA-N 1 2 376.504 4.092 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000187185074 823022112 /nfs/dbraw/zinc/02/21/12/823022112.db2.gz ZJXKMZOVIAKALU-UHFFFAOYSA-N 1 2 376.280 4.216 20 0 GIADLO Cc1ccc(C[S@@](=O)CCc2cc(Cl)c3c(c2)OCCCO3)c(C)[nH+]1 ZINC000187213363 823025674 /nfs/dbraw/zinc/02/56/74/823025674.db2.gz NKTMFTACHOFLKW-VWLOTQADSA-N 1 2 379.909 4.005 20 0 GIADLO Cc1ccc(C[S@@](=O)CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c(C)[nH+]1 ZINC000187220974 823026851 /nfs/dbraw/zinc/02/68/51/823026851.db2.gz RQAMCABRYGQDLA-CBZJRKILSA-N 1 2 386.561 4.023 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1SCCc2ccccc21 ZINC000570366827 823029827 /nfs/dbraw/zinc/02/98/27/823029827.db2.gz HFZFHKOBHDWWTO-LJQANCHMSA-N 1 2 383.904 4.173 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000187278983 823035829 /nfs/dbraw/zinc/03/58/29/823035829.db2.gz IECSCKXMMUGAMO-GFCCVEGCSA-N 1 2 385.888 4.132 20 0 GIADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000458429600 823039183 /nfs/dbraw/zinc/03/91/83/823039183.db2.gz XIYMWKQJUPCHPM-SQWLQELKSA-N 1 2 380.414 4.133 20 0 GIADLO C[C@@H](c1ncc(Br)cn1)[N@H+](C)Cc1cccc(Br)c1 ZINC000570472151 823042599 /nfs/dbraw/zinc/04/25/99/823042599.db2.gz DMTNWIKPELTXFJ-JTQLQIEISA-N 1 2 385.103 4.195 20 0 GIADLO C[C@@H](c1ncc(Br)cn1)[N@@H+](C)Cc1cccc(Br)c1 ZINC000570472151 823042602 /nfs/dbraw/zinc/04/26/02/823042602.db2.gz DMTNWIKPELTXFJ-JTQLQIEISA-N 1 2 385.103 4.195 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000190178141 823546861 /nfs/dbraw/zinc/54/68/61/823546861.db2.gz DXQRDCOFLGGYCC-UHFFFAOYSA-N 1 2 376.526 4.122 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Cl)o1 ZINC000060638912 823549675 /nfs/dbraw/zinc/54/96/75/823549675.db2.gz WXOMRPVNZJQIFU-UHFFFAOYSA-N 1 2 387.867 4.261 20 0 GIADLO COc1ccc2sc(C(=O)NCC[N@@H+]3CCc4sccc4C3)c(C)c2c1 ZINC000460958350 823550652 /nfs/dbraw/zinc/55/06/52/823550652.db2.gz BFOMNPUNGPTGTI-UHFFFAOYSA-N 1 2 386.542 4.068 20 0 GIADLO COc1ccc2sc(C(=O)NCC[N@H+]3CCc4sccc4C3)c(C)c2c1 ZINC000460958350 823550654 /nfs/dbraw/zinc/55/06/54/823550654.db2.gz BFOMNPUNGPTGTI-UHFFFAOYSA-N 1 2 386.542 4.068 20 0 GIADLO CCC(CC)[C@H](C(=O)N[C@H](C)c1ccccc1C(F)(F)F)[NH+]1CCOCC1 ZINC000460961349 823551212 /nfs/dbraw/zinc/55/12/12/823551212.db2.gz VDVBTGLFIQXHJR-RDTXWAMCSA-N 1 2 386.458 4.020 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c(C)[nH+]1 ZINC000411160442 823553086 /nfs/dbraw/zinc/55/30/86/823553086.db2.gz XBLVPIAVYJSUHW-FQEVSTJZSA-N 1 2 383.467 4.132 20 0 GIADLO CCC(CC)[C@@H](C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)[NH+]1CCOCC1 ZINC000460975513 823554217 /nfs/dbraw/zinc/55/42/17/823554217.db2.gz AGXWNIXJOUGXEL-FQEVSTJZSA-N 1 2 385.508 4.034 20 0 GIADLO CCN(C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@H](C)c1cc2ccccc2o1 ZINC000411191768 823555920 /nfs/dbraw/zinc/55/59/20/823555920.db2.gz WQGZYHVSMHJREY-MRXNPFEDSA-N 1 2 379.460 4.301 20 0 GIADLO CCCC[C@H](NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(OC)cc1 ZINC000411213309 823557798 /nfs/dbraw/zinc/55/77/98/823557798.db2.gz WYQZFZNGTWFJFE-IBGZPJMESA-N 1 2 383.492 4.002 20 0 GIADLO CCCCN(C(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[C@H](CC)c1ccccc1 ZINC000411232215 823559185 /nfs/dbraw/zinc/55/91/85/823559185.db2.gz ADDBXGOSAJCPKU-LJQANCHMSA-N 1 2 378.476 4.053 20 0 GIADLO COc1cccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c1OC(F)F ZINC000124037474 823561924 /nfs/dbraw/zinc/56/19/24/823561924.db2.gz GDRPTLOJVQNKET-UHFFFAOYSA-N 1 2 391.414 4.097 20 0 GIADLO COc1cc2c(c(C[NH2+][C@@H](C)c3nc(-c4ccncc4)cs3)c1)O[C@@H](C)C2 ZINC000124074671 823565303 /nfs/dbraw/zinc/56/53/03/823565303.db2.gz MXNFMYHMTOQECK-KBPBESRZSA-N 1 2 381.501 4.388 20 0 GIADLO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000124077469 823565651 /nfs/dbraw/zinc/56/56/51/823565651.db2.gz BLGNDDYYIRCCSZ-ZDUSSCGKSA-N 1 2 385.489 4.082 20 0 GIADLO C[C@H](C[N@H+](C)Cc1nc2ccsc2c(=O)[nH]1)Oc1ccc(Cl)c(Cl)c1 ZINC000190357422 823565899 /nfs/dbraw/zinc/56/58/99/823565899.db2.gz UGOKEWKMBPIROV-SNVBAGLBSA-N 1 2 398.315 4.191 20 0 GIADLO C[C@H](C[N@@H+](C)Cc1nc2ccsc2c(=O)[nH]1)Oc1ccc(Cl)c(Cl)c1 ZINC000190357422 823565902 /nfs/dbraw/zinc/56/59/02/823565902.db2.gz UGOKEWKMBPIROV-SNVBAGLBSA-N 1 2 398.315 4.191 20 0 GIADLO O=C(Cc1cnccc1Cl)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000411398960 823570183 /nfs/dbraw/zinc/57/01/83/823570183.db2.gz KJECHAMKEUIGNI-QGZVFWFLSA-N 1 2 396.293 4.023 20 0 GIADLO CC(=O)Oc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000124151349 823572339 /nfs/dbraw/zinc/57/23/39/823572339.db2.gz GZJXEUJFKHUPCH-LJQANCHMSA-N 1 2 379.378 4.204 20 0 GIADLO CC(=O)Oc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000124151349 823572341 /nfs/dbraw/zinc/57/23/41/823572341.db2.gz GZJXEUJFKHUPCH-LJQANCHMSA-N 1 2 379.378 4.204 20 0 GIADLO CC(C)(C)c1cc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)no1 ZINC000124153082 823572373 /nfs/dbraw/zinc/57/23/73/823572373.db2.gz MABSZOQVNCSHNJ-VQIMIIECSA-N 1 2 379.464 4.219 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)c(C)[nH+]1 ZINC000411430745 823573367 /nfs/dbraw/zinc/57/33/67/823573367.db2.gz WPSXTLARAPJZRP-KRWDZBQOSA-N 1 2 394.519 4.271 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000190435234 823573583 /nfs/dbraw/zinc/57/35/83/823573583.db2.gz ALONPAJPVSMPKM-UHFFFAOYSA-N 1 2 384.402 4.288 20 0 GIADLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000190445788 823575361 /nfs/dbraw/zinc/57/53/61/823575361.db2.gz HGRCEWOELJRAJR-AWEZNQCLSA-N 1 2 386.293 4.494 20 0 GIADLO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](c1ccccc1Cl)C(C)C)[nH]c2=O ZINC000411468179 823578323 /nfs/dbraw/zinc/57/83/23/823578323.db2.gz GOPWVURAJMNLKC-LJQANCHMSA-N 1 2 399.878 4.262 20 0 GIADLO COc1cc(C)[nH+]c(CN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)c1 ZINC000411481095 823579889 /nfs/dbraw/zinc/57/98/89/823579889.db2.gz ABUZOJVTLLFQLE-HNNXBMFYSA-N 1 2 376.325 4.393 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)cs1 ZINC000411533932 823585574 /nfs/dbraw/zinc/58/55/74/823585574.db2.gz OUWXDIVIWNBYEC-INIZCTEOSA-N 1 2 383.517 4.178 20 0 GIADLO CSCC[C@H]([NH2+]Cc1ccc(-c2ncco2)cc1F)c1nnc2ccccn21 ZINC000411538617 823586182 /nfs/dbraw/zinc/58/61/82/823586182.db2.gz TVTPKOBLRIWZFA-KRWDZBQOSA-N 1 2 397.479 4.107 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NC2(c3ccc(Cl)cc3)CCCC2)c(C)[nH+]1 ZINC000411548121 823587228 /nfs/dbraw/zinc/58/72/28/823587228.db2.gz DZOUQPBRTFBAEP-UHFFFAOYSA-N 1 2 385.895 4.184 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c[nH]nc1-c1ccccc1Cl ZINC000124365178 823590431 /nfs/dbraw/zinc/59/04/31/823590431.db2.gz LGRXWNSSVQWGFP-UHFFFAOYSA-N 1 2 381.798 4.307 20 0 GIADLO CC(C)(CO)[C@H]([NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3)c1ccccc1 ZINC000411640524 823593014 /nfs/dbraw/zinc/59/30/14/823593014.db2.gz KSEBKXJGTWDMSN-LJQANCHMSA-N 1 2 396.560 4.002 20 0 GIADLO Cc1[nH]c2ccc(NC(=O)CSCc3cc(-c4cccs4)on3)cc2[nH+]1 ZINC000061371078 823593884 /nfs/dbraw/zinc/59/38/84/823593884.db2.gz KOPOHYLHIAKNEO-UHFFFAOYSA-N 1 2 384.486 4.460 20 0 GIADLO Cc1ccccc1Cn1c2ccccc2[nH+]c1NCc1cn(C)nc1C(F)F ZINC000461184752 823594901 /nfs/dbraw/zinc/59/49/01/823594901.db2.gz HSNHYJKDJDAWPC-UHFFFAOYSA-N 1 2 381.430 4.098 20 0 GIADLO C[C@H]1CCN(C(=O)c2cccc(OCc3cccs3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000124424933 823595710 /nfs/dbraw/zinc/59/57/10/823595710.db2.gz AADWOOLNAKDTOX-JXFKEZNVSA-N 1 2 381.501 4.247 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C(F)(F)F)C(C)(C)C3)cn2c1 ZINC000190727447 823602609 /nfs/dbraw/zinc/60/26/09/823602609.db2.gz JFROULMHMGJUDB-OAHLLOKOSA-N 1 2 399.482 4.313 20 0 GIADLO C[C@@H](c1nnc(SCCc2ccccn2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000061731567 823609829 /nfs/dbraw/zinc/60/98/29/823609829.db2.gz DVODXKVTAKAHJF-AWEZNQCLSA-N 1 2 387.940 4.273 20 0 GIADLO CN(Cc1c[nH+]cn1Cc1ccccc1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000411900556 823614170 /nfs/dbraw/zinc/61/41/70/823614170.db2.gz NIXZFLRFKLYFJA-UHFFFAOYSA-N 1 2 376.504 4.096 20 0 GIADLO COCC(C)(C)CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000412007479 823621720 /nfs/dbraw/zinc/62/17/20/823621720.db2.gz JISUNSVXMHTKSH-UHFFFAOYSA-N 1 2 391.515 4.277 20 0 GIADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412059324 823624789 /nfs/dbraw/zinc/62/47/89/823624789.db2.gz CFDMHQDYIFWKHP-CABCVRRESA-N 1 2 396.478 4.126 20 0 GIADLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412059324 823624790 /nfs/dbraw/zinc/62/47/90/823624790.db2.gz CFDMHQDYIFWKHP-CABCVRRESA-N 1 2 396.478 4.126 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H](CO)[C@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000412061895 823625131 /nfs/dbraw/zinc/62/51/31/823625131.db2.gz AMLLVHCZULRGSN-SJLPKXTDSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000412061895 823625133 /nfs/dbraw/zinc/62/51/33/823625133.db2.gz AMLLVHCZULRGSN-SJLPKXTDSA-N 1 2 387.549 4.037 20 0 GIADLO CC[C@@H](C)n1ncc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1C1CC1 ZINC000124774905 823625210 /nfs/dbraw/zinc/62/52/10/823625210.db2.gz XORBCICJNKZDJF-QGZVFWFLSA-N 1 2 395.551 4.437 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cs1)c1cccc(Cl)c1 ZINC000412070915 823625472 /nfs/dbraw/zinc/62/54/72/823625472.db2.gz GNXCAKNUWXQWGL-ZFWWWQNUSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)cs1)c1cccc(Cl)c1 ZINC000412070915 823625474 /nfs/dbraw/zinc/62/54/74/823625474.db2.gz GNXCAKNUWXQWGL-ZFWWWQNUSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H](CO)[C@H]2C)cs1)c1ccc(C)cc1C ZINC000412067670 823625557 /nfs/dbraw/zinc/62/55/57/823625557.db2.gz DWPLPKDTZFILNF-SJLPKXTDSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)cs1)c1ccc(C)cc1C ZINC000412067670 823625560 /nfs/dbraw/zinc/62/55/60/823625560.db2.gz DWPLPKDTZFILNF-SJLPKXTDSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cs1)c1cccc(Cl)c1 ZINC000412070895 823625592 /nfs/dbraw/zinc/62/55/92/823625592.db2.gz GNXCAKNUWXQWGL-DZGCQCFKSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cs1)c1cccc(Cl)c1 ZINC000412070895 823625595 /nfs/dbraw/zinc/62/55/95/823625595.db2.gz GNXCAKNUWXQWGL-DZGCQCFKSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cs1)c1cccc(C)c1C ZINC000412074677 823625828 /nfs/dbraw/zinc/62/58/28/823625828.db2.gz IRBDVFQWBKNVSD-WMZOPIPTSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)cs1)c1cccc(C)c1C ZINC000412074677 823625830 /nfs/dbraw/zinc/62/58/30/823625830.db2.gz IRBDVFQWBKNVSD-WMZOPIPTSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cs1)c1ccc(Cl)cc1 ZINC000412098274 823626416 /nfs/dbraw/zinc/62/64/16/823626416.db2.gz VQPMVMVUQDRNCX-ZFWWWQNUSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)cs1)c1ccc(Cl)cc1 ZINC000412098274 823626418 /nfs/dbraw/zinc/62/64/18/823626418.db2.gz VQPMVMVUQDRNCX-ZFWWWQNUSA-N 1 2 393.940 4.074 20 0 GIADLO C[C@@H]1CN(c2ccc([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)cc2)C[C@H](C)O1 ZINC000124941236 823638951 /nfs/dbraw/zinc/63/89/51/823638951.db2.gz DJXSJPPEBVUYPT-CALCHBBNSA-N 1 2 389.540 4.112 20 0 GIADLO Clc1cccc(-c2nnc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)o2)c1 ZINC000062649768 823643405 /nfs/dbraw/zinc/64/34/05/823643405.db2.gz XDIRAFIUCPXPSD-VMPITWQZSA-N 1 2 394.906 4.221 20 0 GIADLO CCc1cccc2c(C3CC[NH+](Cc4nc5ccsc5c(=O)[nH]4)CC3)c[nH]c21 ZINC000125011293 823644913 /nfs/dbraw/zinc/64/49/13/823644913.db2.gz LQPMFFCYCYINML-UHFFFAOYSA-N 1 2 392.528 4.408 20 0 GIADLO CC(C)n1cc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000191094963 823648353 /nfs/dbraw/zinc/64/83/53/823648353.db2.gz OAQWTVMSZZXXST-UHFFFAOYSA-N 1 2 399.498 4.306 20 0 GIADLO CCCc1ccc(C(=O)CCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000063113701 823651926 /nfs/dbraw/zinc/65/19/26/823651926.db2.gz FZLITPBKOXQPFT-UHFFFAOYSA-N 1 2 393.462 4.243 20 0 GIADLO CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000125119555 823652860 /nfs/dbraw/zinc/65/28/60/823652860.db2.gz MKBSLUVYUNOEFJ-OAQYLSRUSA-N 1 2 397.544 4.072 20 0 GIADLO CCCn1c(C)c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2cc(OC)ccc21 ZINC000125220606 823660070 /nfs/dbraw/zinc/66/00/70/823660070.db2.gz KVTPULRFMMRLPI-IIBYNOLFSA-N 1 2 394.519 4.288 20 0 GIADLO O=C(NCCc1cccs1)C1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000063300961 823661172 /nfs/dbraw/zinc/66/11/72/823661172.db2.gz KKQYBEDPMCNMKA-UHFFFAOYSA-N 1 2 398.359 4.021 20 0 GIADLO C[C@@H](S[C@H](C)c1ccccc1Cl)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000063430159 823670728 /nfs/dbraw/zinc/67/07/28/823670728.db2.gz GAKHEUNEYDQMHQ-HZPDHXFCSA-N 1 2 389.952 4.267 20 0 GIADLO CCCCOc1ccc(-c2nnc(CO[NH+]=C(N)c3ccc(F)c(C)c3)o2)cc1 ZINC000063457583 823672576 /nfs/dbraw/zinc/67/25/76/823672576.db2.gz VWVVYTHTRDDXMY-UHFFFAOYSA-N 1 2 398.438 4.200 20 0 GIADLO CN(C(=O)C[NH+]1CCC(OC2CCCCC2)CC1)c1nc2ccccc2s1 ZINC000125442541 823676468 /nfs/dbraw/zinc/67/64/68/823676468.db2.gz XFNBYXZGMCXRAI-UHFFFAOYSA-N 1 2 387.549 4.073 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c1C ZINC000125500873 823681024 /nfs/dbraw/zinc/68/10/24/823681024.db2.gz FZGTZIFFCCJSFB-AWEZNQCLSA-N 1 2 375.900 4.133 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3ccc(Br)o3)C2)n1 ZINC000191473707 823688949 /nfs/dbraw/zinc/68/89/49/823688949.db2.gz JXFWIRLTMFAKNM-SNVBAGLBSA-N 1 2 378.192 4.095 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3ccc(Br)o3)C2)n1 ZINC000191473707 823688950 /nfs/dbraw/zinc/68/89/50/823688950.db2.gz JXFWIRLTMFAKNM-SNVBAGLBSA-N 1 2 378.192 4.095 20 0 GIADLO COc1ccc([C@@H]([NH2+][C@@H]2CCSc3ccc(OC)cc32)c2nccn2C)cc1 ZINC000191492392 823690769 /nfs/dbraw/zinc/69/07/69/823690769.db2.gz AVNAHYSXTDGASR-TZIWHRDSSA-N 1 2 395.528 4.353 20 0 GIADLO COc1ccc([C@H]([NH2+][C@H]2CCSc3ccc(OC)cc32)c2nccn2C)cc1 ZINC000191492426 823690845 /nfs/dbraw/zinc/69/08/45/823690845.db2.gz AVNAHYSXTDGASR-FPOVZHCZSA-N 1 2 395.528 4.353 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000125680405 823696048 /nfs/dbraw/zinc/69/60/48/823696048.db2.gz HISKZJNMEJRNQU-CYBMUJFWSA-N 1 2 399.347 4.381 20 0 GIADLO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000191533331 823696702 /nfs/dbraw/zinc/69/67/02/823696702.db2.gz ZEOBEBYJCYMQJT-ZDUSSCGKSA-N 1 2 393.422 4.125 20 0 GIADLO O=C(CCCc1ccc(F)c(F)c1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000125707677 823698699 /nfs/dbraw/zinc/69/86/99/823698699.db2.gz IFVLLPTYMKUBQG-UHFFFAOYSA-N 1 2 385.414 4.202 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCCc3ccccc3)CC2)c(F)c1 ZINC000125707716 823698762 /nfs/dbraw/zinc/69/87/62/823698762.db2.gz MVGOZUZPNGDMGD-GOSISDBHSA-N 1 2 384.495 4.185 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCCC2(CCCCC2)CC1 ZINC000191554198 823699094 /nfs/dbraw/zinc/69/90/94/823699094.db2.gz WGPTZPDHQMYBND-UHFFFAOYSA-N 1 2 386.540 4.195 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3csc(C(C)C)n3)CC2)n1 ZINC000191564860 823700545 /nfs/dbraw/zinc/70/05/45/823700545.db2.gz UGKPGGOYFYJMPN-UHFFFAOYSA-N 1 2 379.551 4.279 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3cc(F)c(Cl)cc3Cl)[nH+]cn2)C1 ZINC000413031636 823700557 /nfs/dbraw/zinc/70/05/57/823700557.db2.gz XZZDVQQECNCJPC-TUAOUCFPSA-N 1 2 399.297 4.303 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3cc(F)c(Cl)cc3Cl)nc[nH+]2)C1 ZINC000413031636 823700562 /nfs/dbraw/zinc/70/05/62/823700562.db2.gz XZZDVQQECNCJPC-TUAOUCFPSA-N 1 2 399.297 4.303 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](Cc3ccccc3)c3ccccc3)[nH+]cn2)C1 ZINC000413029161 823700591 /nfs/dbraw/zinc/70/05/91/823700591.db2.gz RCUSZBLITCCPOF-NYVOZVTQSA-N 1 2 388.515 4.080 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](Cc3ccccc3)c3ccccc3)nc[nH+]2)C1 ZINC000413029161 823700597 /nfs/dbraw/zinc/70/05/97/823700597.db2.gz RCUSZBLITCCPOF-NYVOZVTQSA-N 1 2 388.515 4.080 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)n1 ZINC000191572464 823702356 /nfs/dbraw/zinc/70/23/56/823702356.db2.gz VKAJUVPHBLVZSJ-UHFFFAOYSA-N 1 2 397.500 4.354 20 0 GIADLO NC(=[NH+]OCc1coc(-c2ccc(Br)cc2)n1)c1ccc(F)cc1 ZINC000063859857 823703411 /nfs/dbraw/zinc/70/34/11/823703411.db2.gz JETOKKZVGKQSKN-UHFFFAOYSA-N 1 2 390.212 4.080 20 0 GIADLO COc1cc([C@H](C)Nc2cc(NC3CC3)[nH+]cn2)ccc1OCc1ccncc1 ZINC000413079381 823704248 /nfs/dbraw/zinc/70/42/48/823704248.db2.gz OFZFTUDFMQSRMR-HNNXBMFYSA-N 1 2 391.475 4.207 20 0 GIADLO COc1cc([C@H](C)Nc2cc(NC3CC3)nc[nH+]2)ccc1OCc1ccncc1 ZINC000413079381 823704251 /nfs/dbraw/zinc/70/42/51/823704251.db2.gz OFZFTUDFMQSRMR-HNNXBMFYSA-N 1 2 391.475 4.207 20 0 GIADLO C[C@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1nccs1 ZINC000413112544 823709123 /nfs/dbraw/zinc/70/91/23/823709123.db2.gz VJUMEUVJUWBGPU-WFASDCNBSA-N 1 2 396.919 4.133 20 0 GIADLO C[N@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)[C@@H]1CCCOC1 ZINC000574379830 823714528 /nfs/dbraw/zinc/71/45/28/823714528.db2.gz USAHXDZIJCPRCR-GFCCVEGCSA-N 1 2 389.908 4.328 20 0 GIADLO C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)[C@@H]1CCCOC1 ZINC000574379830 823714530 /nfs/dbraw/zinc/71/45/30/823714530.db2.gz USAHXDZIJCPRCR-GFCCVEGCSA-N 1 2 389.908 4.328 20 0 GIADLO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ncc(I)s1 ZINC000574409676 823722603 /nfs/dbraw/zinc/72/26/03/823722603.db2.gz WFZRSVDLEOWIBX-AAEUAGOBSA-N 1 2 384.286 4.126 20 0 GIADLO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ncc(I)s1 ZINC000574409676 823722607 /nfs/dbraw/zinc/72/26/07/823722607.db2.gz WFZRSVDLEOWIBX-AAEUAGOBSA-N 1 2 384.286 4.126 20 0 GIADLO Cc1csc2ncnc(N3CCc4c([nH+]cn4CCc4ccccc4)C3)c12 ZINC000413233211 823734544 /nfs/dbraw/zinc/73/45/44/823734544.db2.gz VAKVXQMQRCKJBG-UHFFFAOYSA-N 1 2 375.501 4.002 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@@H](c2ccsc2)C1)Nc1c(Cl)cccc1Cl ZINC000125882491 823736334 /nfs/dbraw/zinc/73/63/34/823736334.db2.gz MAQXMCRKWSSYOQ-OAHLLOKOSA-N 1 2 385.316 4.457 20 0 GIADLO O=C(CC[N@H+]1CCO[C@@H](c2ccsc2)C1)Nc1c(Cl)cccc1Cl ZINC000125882491 823736341 /nfs/dbraw/zinc/73/63/41/823736341.db2.gz MAQXMCRKWSSYOQ-OAHLLOKOSA-N 1 2 385.316 4.457 20 0 GIADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000125891259 823738658 /nfs/dbraw/zinc/73/86/58/823738658.db2.gz FOVIGRIRHBVVAB-LBPRGKRZSA-N 1 2 387.423 4.024 20 0 GIADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000125891259 823738665 /nfs/dbraw/zinc/73/86/65/823738665.db2.gz FOVIGRIRHBVVAB-LBPRGKRZSA-N 1 2 387.423 4.024 20 0 GIADLO C[C@H]1CCc2ccccc2N1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000461886633 823738631 /nfs/dbraw/zinc/73/86/31/823738631.db2.gz BYPCPTKHMOWGNW-INIZCTEOSA-N 1 2 378.451 4.181 20 0 GIADLO CC(C)COc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000125902664 823740517 /nfs/dbraw/zinc/74/05/17/823740517.db2.gz YSCBGVRXULLHKX-QGZVFWFLSA-N 1 2 375.534 4.318 20 0 GIADLO CC(C)COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000125902664 823740526 /nfs/dbraw/zinc/74/05/26/823740526.db2.gz YSCBGVRXULLHKX-QGZVFWFLSA-N 1 2 375.534 4.318 20 0 GIADLO C[NH+](C)[C@H](c1nc(Cc2coc(-c3ccc(F)cc3)n2)no1)c1ccccc1 ZINC000574484395 823743335 /nfs/dbraw/zinc/74/33/35/823743335.db2.gz VASMCLZKTSCSSL-IBGZPJMESA-N 1 2 378.407 4.106 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CC4(CCCCC4)[C@@H]3c3ccccc3)n2)nn1 ZINC000574498487 823749453 /nfs/dbraw/zinc/74/94/53/823749453.db2.gz MDTVUQAFUIIBMU-FQEVSTJZSA-N 1 2 391.475 4.043 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CC4(CCCCC4)[C@@H]3c3ccccc3)n2)nn1 ZINC000574498487 823749458 /nfs/dbraw/zinc/74/94/58/823749458.db2.gz MDTVUQAFUIIBMU-FQEVSTJZSA-N 1 2 391.475 4.043 20 0 GIADLO CN(C)C(=O)c1cccc(C[NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)c1 ZINC000125997813 823763415 /nfs/dbraw/zinc/76/34/15/823763415.db2.gz PEQZNLIMARGSNN-QHCPKHFHSA-N 1 2 398.510 4.154 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(Cc2nccc3ccccc32)no1 ZINC000574556543 823764983 /nfs/dbraw/zinc/76/49/83/823764983.db2.gz VEMATKHEKUVTMZ-UHFFFAOYSA-N 1 2 391.381 4.193 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cnnc(-c2ccccc2)c1 ZINC000574561296 823766977 /nfs/dbraw/zinc/76/69/77/823766977.db2.gz BUHBRHFUJWJJEH-UHFFFAOYSA-N 1 2 375.819 4.235 20 0 GIADLO COCC(C)(C)CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000413417059 823772588 /nfs/dbraw/zinc/77/25/88/823772588.db2.gz KDKSJAZDJGVXDA-UHFFFAOYSA-N 1 2 395.906 4.157 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cnn1-c1ccc(F)cc1 ZINC000164042481 823773213 /nfs/dbraw/zinc/77/32/13/823773213.db2.gz MSNAOIQPHUQPFD-CVEARBPZSA-N 1 2 390.466 4.312 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(Br)cc2F)c(OC)c1 ZINC000126060760 823777906 /nfs/dbraw/zinc/77/79/06/823777906.db2.gz SIMOCWRWPCGACL-NSHDSACASA-N 1 2 398.272 4.465 20 0 GIADLO Cc1cc(NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c(C)c[nH+]1 ZINC000574609643 823780133 /nfs/dbraw/zinc/78/01/33/823780133.db2.gz IPYRRRNBSHWWCC-UHFFFAOYSA-N 1 2 384.427 4.007 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccccc2)n1 ZINC000191823997 823784607 /nfs/dbraw/zinc/78/46/07/823784607.db2.gz WBTICPZODFYLEJ-SFHVURJKSA-N 1 2 396.516 4.057 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccccc2)n1 ZINC000191823997 823784609 /nfs/dbraw/zinc/78/46/09/823784609.db2.gz WBTICPZODFYLEJ-SFHVURJKSA-N 1 2 396.516 4.057 20 0 GIADLO CN(C(=O)NCc1c[nH+]cn1C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000461995756 823788117 /nfs/dbraw/zinc/78/81/17/823788117.db2.gz SAQGBONKLROMAF-IBGZPJMESA-N 1 2 386.858 4.144 20 0 GIADLO O=C(c1ccccc1F)N1CCC[N@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000126109549 823790146 /nfs/dbraw/zinc/79/01/46/823790146.db2.gz JCGSSMRIARFTLN-UHFFFAOYSA-N 1 2 397.881 4.375 20 0 GIADLO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000126109549 823790151 /nfs/dbraw/zinc/79/01/51/823790151.db2.gz JCGSSMRIARFTLN-UHFFFAOYSA-N 1 2 397.881 4.375 20 0 GIADLO CC(=O)Oc1ccc(C[NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)cc1 ZINC000126112214 823790791 /nfs/dbraw/zinc/79/07/91/823790791.db2.gz PJCJLNWTHCIMLI-HSZRJFAPSA-N 1 2 385.467 4.378 20 0 GIADLO C[C@H]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC12CCCCC2 ZINC000462003453 823791146 /nfs/dbraw/zinc/79/11/46/823791146.db2.gz GLJKRXHYYMLZRQ-IBGZPJMESA-N 1 2 380.536 4.433 20 0 GIADLO C[C@H]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H](c2ccco2)C1 ZINC000462012348 823794264 /nfs/dbraw/zinc/79/42/64/823794264.db2.gz WJBJLKBWOZJSNC-PXNSSMCTSA-N 1 2 378.476 4.207 20 0 GIADLO CCCC(=O)Nc1cccc(NC(=O)N(C)CCCc2[nH+]ccn2CCC)c1C ZINC000191872608 823800728 /nfs/dbraw/zinc/80/07/28/823800728.db2.gz JOQYRHJRCHYKKA-UHFFFAOYSA-N 1 2 399.539 4.437 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000164412648 823801550 /nfs/dbraw/zinc/80/15/50/823801550.db2.gz FMXQJSUWVZAVON-JLTOFOAXSA-N 1 2 390.886 4.252 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000126156234 823801981 /nfs/dbraw/zinc/80/19/81/823801981.db2.gz QNFGWPYCQHSILF-UHFFFAOYSA-N 1 2 394.446 4.479 20 0 GIADLO CC(C)c1ccc(C[C@@H](C)NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000126159247 823802492 /nfs/dbraw/zinc/80/24/92/823802492.db2.gz USFFKRFRXDLDJR-GOSISDBHSA-N 1 2 380.536 4.104 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1c(C)cccc1OC(F)F ZINC000191887868 823804572 /nfs/dbraw/zinc/80/45/72/823804572.db2.gz DKDAWIUAHNEZDV-UHFFFAOYSA-N 1 2 380.439 4.299 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000191897444 823806789 /nfs/dbraw/zinc/80/67/89/823806789.db2.gz GGHLQTYUFKSMND-UHFFFAOYSA-N 1 2 380.439 4.299 20 0 GIADLO COc1cccc(C[N@@H+](Cc2nc(-c3ccccc3C)no2)C[C@@H]2CCCO2)c1 ZINC000064400379 823812280 /nfs/dbraw/zinc/81/22/80/823812280.db2.gz ZWVMCQAYVSXGMR-FQEVSTJZSA-N 1 2 393.487 4.235 20 0 GIADLO COc1cccc(C[N@H+](Cc2nc(-c3ccccc3C)no2)C[C@@H]2CCCO2)c1 ZINC000064400379 823812284 /nfs/dbraw/zinc/81/22/84/823812284.db2.gz ZWVMCQAYVSXGMR-FQEVSTJZSA-N 1 2 393.487 4.235 20 0 GIADLO COc1cccc(C[N@@H+](Cc2nc(-c3cccc(C)c3)no2)C[C@@H]2CCCO2)c1 ZINC000064400151 823812321 /nfs/dbraw/zinc/81/23/21/823812321.db2.gz QSZCRZUJOTXLTC-NRFANRHFSA-N 1 2 393.487 4.235 20 0 GIADLO COc1cccc(C[N@H+](Cc2nc(-c3cccc(C)c3)no2)C[C@@H]2CCCO2)c1 ZINC000064400151 823812324 /nfs/dbraw/zinc/81/23/24/823812324.db2.gz QSZCRZUJOTXLTC-NRFANRHFSA-N 1 2 393.487 4.235 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC000191929153 823813863 /nfs/dbraw/zinc/81/38/63/823813863.db2.gz JTHIXBDYQPREPR-UHFFFAOYSA-N 1 2 398.486 4.023 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164674430 823815684 /nfs/dbraw/zinc/81/56/84/823815684.db2.gz BBSAZTTWLHTHTI-HOTGVXAUSA-N 1 2 395.532 4.063 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000126229894 823817099 /nfs/dbraw/zinc/81/70/99/823817099.db2.gz ZHADVBRPAMFPKK-UHFFFAOYSA-N 1 2 384.907 4.151 20 0 GIADLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000462064660 823818416 /nfs/dbraw/zinc/81/84/16/823818416.db2.gz DAWSZUFDHQOPBA-CYBMUJFWSA-N 1 2 388.316 4.262 20 0 GIADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000462064660 823818427 /nfs/dbraw/zinc/81/84/27/823818427.db2.gz DAWSZUFDHQOPBA-CYBMUJFWSA-N 1 2 388.316 4.262 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000064440719 823819453 /nfs/dbraw/zinc/81/94/53/823819453.db2.gz KDCLZBKUQBQSSL-GOSISDBHSA-N 1 2 396.516 4.042 20 0 GIADLO Cc1noc(C)c1CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000126260436 823823609 /nfs/dbraw/zinc/82/36/09/823823609.db2.gz GKCDFAXGZISTNZ-UHFFFAOYSA-N 1 2 397.548 4.193 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(Br)o3)CC2)n1 ZINC000192035940 823839565 /nfs/dbraw/zinc/83/95/65/823839565.db2.gz HKBMUHYYNFSPQX-UHFFFAOYSA-N 1 2 399.310 4.055 20 0 GIADLO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C[C@@H](c2ccccc2)C1 ZINC000413777150 823839708 /nfs/dbraw/zinc/83/97/08/823839708.db2.gz DTYLLZFHPCONFP-NRDMVMEKSA-N 1 2 380.536 4.282 20 0 GIADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000574885307 823851341 /nfs/dbraw/zinc/85/13/41/823851341.db2.gz NSNMYYYVKJMIQJ-ISQLDUATSA-N 1 2 375.516 4.215 20 0 GIADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CCO1 ZINC000126374086 823851484 /nfs/dbraw/zinc/85/14/84/823851484.db2.gz RUOLXSNJXLJILL-QHCPKHFHSA-N 1 2 378.516 4.195 20 0 GIADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CCO1 ZINC000126374086 823851493 /nfs/dbraw/zinc/85/14/93/823851493.db2.gz RUOLXSNJXLJILL-QHCPKHFHSA-N 1 2 378.516 4.195 20 0 GIADLO Cc1onc(C2CC2)c1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000574898210 823855410 /nfs/dbraw/zinc/85/54/10/823855410.db2.gz NGBIZAHLFJPUAG-XLIONFOSSA-N 1 2 389.446 4.092 20 0 GIADLO Cc1onc(C2CC2)c1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000574898210 823855414 /nfs/dbraw/zinc/85/54/14/823855414.db2.gz NGBIZAHLFJPUAG-XLIONFOSSA-N 1 2 389.446 4.092 20 0 GIADLO Cc1cc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cnc1Cl ZINC000126399037 823857094 /nfs/dbraw/zinc/85/70/94/823857094.db2.gz WRTXFAWHVNMBPY-ZWKOTPCHSA-N 1 2 381.867 4.290 20 0 GIADLO O=C(c1ccc(OCC2CCCCC2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000064678549 823861261 /nfs/dbraw/zinc/86/12/61/823861261.db2.gz BSGQGLFWLYMUPK-UHFFFAOYSA-N 1 2 379.504 4.003 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)C[C@@H]2CCCOC2)cs1)c1ccc(C)cc1C ZINC000165745417 823861982 /nfs/dbraw/zinc/86/19/82/823861982.db2.gz DLDGSZFMRQXCKC-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)C[C@@H]2CCCOC2)cs1)c1ccc(C)cc1C ZINC000165745417 823861984 /nfs/dbraw/zinc/86/19/84/823861984.db2.gz DLDGSZFMRQXCKC-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000126422877 823863217 /nfs/dbraw/zinc/86/32/17/823863217.db2.gz MRQUNXHYHFEUIX-UHFFFAOYSA-N 1 2 393.447 4.148 20 0 GIADLO CCS[C@@H](C)c1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192110371 823863260 /nfs/dbraw/zinc/86/32/60/823863260.db2.gz QLYMFFQUFSTGQR-DRZCJDIDSA-N 1 2 385.892 4.296 20 0 GIADLO CC[N@H+](Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)CC(C)(C)O ZINC000165871370 823865277 /nfs/dbraw/zinc/86/52/77/823865277.db2.gz QSFFBWBKCONMBB-UHFFFAOYSA-N 1 2 375.538 4.037 20 0 GIADLO CC[N@@H+](Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)CC(C)(C)O ZINC000165871370 823865281 /nfs/dbraw/zinc/86/52/81/823865281.db2.gz QSFFBWBKCONMBB-UHFFFAOYSA-N 1 2 375.538 4.037 20 0 GIADLO Cc1ccc(CC[C@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)o1 ZINC000462202956 823868736 /nfs/dbraw/zinc/86/87/36/823868736.db2.gz JGWGHEDUGLJJFF-RDJZCZTQSA-N 1 2 375.538 4.059 20 0 GIADLO Cc1ccc(C[C@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)s1 ZINC000462204957 823869745 /nfs/dbraw/zinc/86/97/45/823869745.db2.gz BRCGKSNXMWYWRS-HOCLYGCPSA-N 1 2 377.579 4.137 20 0 GIADLO CCC(CC)c1cc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)on1 ZINC000462209331 823872789 /nfs/dbraw/zinc/87/27/89/823872789.db2.gz KHEQRWYTLPABAD-OAHLLOKOSA-N 1 2 390.553 4.228 20 0 GIADLO COc1ccc(-c2csc(CNC(=O)Nc3ccn4cc[nH+]c4c3)c2)cc1 ZINC000574965800 823874807 /nfs/dbraw/zinc/87/48/07/823874807.db2.gz RMDRERYXTZWECQ-UHFFFAOYSA-N 1 2 378.457 4.393 20 0 GIADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000574986342 823879832 /nfs/dbraw/zinc/87/98/32/823879832.db2.gz DPJSPIZOPZAYCM-FMKPAKJESA-N 1 2 394.544 4.467 20 0 GIADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000574986342 823879842 /nfs/dbraw/zinc/87/98/42/823879842.db2.gz DPJSPIZOPZAYCM-FMKPAKJESA-N 1 2 394.544 4.467 20 0 GIADLO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1=O ZINC000575006372 823885163 /nfs/dbraw/zinc/88/51/63/823885163.db2.gz YQSLPQSMZQXMJO-IERDGZPVSA-N 1 2 393.462 4.323 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000462236507 823888848 /nfs/dbraw/zinc/88/88/48/823888848.db2.gz RCTKYKZFMZJAJQ-CYBMUJFWSA-N 1 2 394.338 4.421 20 0 GIADLO COc1cccc([C@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)c2ccccc2Cl)c1 ZINC000462241158 823891943 /nfs/dbraw/zinc/89/19/43/823891943.db2.gz YPHOFENJJXIGSR-ZHRRBRCNSA-N 1 2 386.923 4.286 20 0 GIADLO COc1cccc(Nc2nn(C[N@@H+]3CCSC[C@@H](C)C3)c(=S)s2)c1 ZINC000192180294 823894450 /nfs/dbraw/zinc/89/44/50/823894450.db2.gz FOMHRLBRPBAYSD-LBPRGKRZSA-N 1 2 382.580 4.069 20 0 GIADLO COc1cccc(Nc2nn(C[N@H+]3CCSC[C@@H](C)C3)c(=S)s2)c1 ZINC000192180294 823894456 /nfs/dbraw/zinc/89/44/56/823894456.db2.gz FOMHRLBRPBAYSD-LBPRGKRZSA-N 1 2 382.580 4.069 20 0 GIADLO O=C(Nc1cccc(COCc2ccco2)c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000064833508 823896549 /nfs/dbraw/zinc/89/65/49/823896549.db2.gz FOAWAUXIFCCPTF-LJQANCHMSA-N 1 2 391.471 4.247 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)c(F)c3C)c2C1 ZINC000414055658 823896626 /nfs/dbraw/zinc/89/66/26/823896626.db2.gz OZTDBBBOQQCEBB-UHFFFAOYSA-N 1 2 381.426 4.452 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)c(F)c3C)c2C1 ZINC000414055658 823896629 /nfs/dbraw/zinc/89/66/29/823896629.db2.gz OZTDBBBOQQCEBB-UHFFFAOYSA-N 1 2 381.426 4.452 20 0 GIADLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192197614 823898556 /nfs/dbraw/zinc/89/85/56/823898556.db2.gz BTENTFGZBDRGOQ-AWEZNQCLSA-N 1 2 383.721 4.442 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2N(C)C)CC1 ZINC000462262193 823903930 /nfs/dbraw/zinc/90/39/30/823903930.db2.gz ZYVXOJKJFHQJFE-AWEZNQCLSA-N 1 2 392.956 4.378 20 0 GIADLO C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000126577755 823904093 /nfs/dbraw/zinc/90/40/93/823904093.db2.gz YQHORYREUAMEIR-MRXNPFEDSA-N 1 2 388.508 4.025 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCc3c2ccc(F)c3Br)s1 ZINC000414145949 823918107 /nfs/dbraw/zinc/91/81/07/823918107.db2.gz KWJPVUNZZSITQT-QPUJVOFHSA-N 1 2 399.285 4.169 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCCOc3ccccc32)CC1 ZINC000462305690 823918635 /nfs/dbraw/zinc/91/86/35/823918635.db2.gz LSHFAGXJBUKYNN-QFBILLFUSA-N 1 2 385.533 4.050 20 0 GIADLO CCOc1cccc([C@@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000462306150 823919052 /nfs/dbraw/zinc/91/90/52/823919052.db2.gz PLMAXVBGZBXPND-SJORKVTESA-N 1 2 387.549 4.296 20 0 GIADLO CC(C)(C)S(=O)(=O)Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000126652592 823919957 /nfs/dbraw/zinc/91/99/57/823919957.db2.gz GOKBMOSYCZGAJK-UHFFFAOYSA-N 1 2 383.517 4.198 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Br)cc1Cl ZINC000192260752 823921067 /nfs/dbraw/zinc/92/10/67/823921067.db2.gz RBWHWLOVIJTRDI-UHFFFAOYSA-N 1 2 398.732 4.414 20 0 GIADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1 ZINC000462341614 823931483 /nfs/dbraw/zinc/93/14/83/823931483.db2.gz PSAKYGQYXUUWDT-HNNXBMFYSA-N 1 2 375.476 4.269 20 0 GIADLO CCC(CC)(CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000575225994 823946471 /nfs/dbraw/zinc/94/64/71/823946471.db2.gz IGPIBIRZAKREPX-UHFFFAOYSA-N 1 2 390.531 4.489 20 0 GIADLO FC(F)(F)c1ccnc(C[NH2+][C@H]2CCCc3c(Br)cccc32)n1 ZINC000414270657 823948046 /nfs/dbraw/zinc/94/80/46/823948046.db2.gz YWCFVYSTEAXPNR-ZDUSSCGKSA-N 1 2 386.215 4.425 20 0 GIADLO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCCC[C@H]2F)c2ccc(F)cc2F)c1 ZINC000414283815 823951432 /nfs/dbraw/zinc/95/14/32/823951432.db2.gz JRMHZXNWHIPHFM-RLLQIKCJSA-N 1 2 397.462 4.328 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCc1c(Cl)cccc1Cl ZINC000192346223 823954619 /nfs/dbraw/zinc/95/46/19/823954619.db2.gz BWOYBHSYYPMWGT-UHFFFAOYSA-N 1 2 397.350 4.417 20 0 GIADLO COCCNc1nn(C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)c(=S)s1 ZINC000126813330 823957614 /nfs/dbraw/zinc/95/76/14/823957614.db2.gz QLMWLFVBGZUGLC-INIZCTEOSA-N 1 2 378.567 4.144 20 0 GIADLO COCCNc1nn(C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)c(=S)s1 ZINC000126813330 823957617 /nfs/dbraw/zinc/95/76/17/823957617.db2.gz QLMWLFVBGZUGLC-INIZCTEOSA-N 1 2 378.567 4.144 20 0 GIADLO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000192363330 823959538 /nfs/dbraw/zinc/95/95/38/823959538.db2.gz COUIKRRFPGIVIN-HNNXBMFYSA-N 1 2 375.350 4.027 20 0 GIADLO CCS(=O)(=O)CCC[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000414346409 823962411 /nfs/dbraw/zinc/96/24/11/823962411.db2.gz VCDROZNTNOARSP-SFHVURJKSA-N 1 2 387.879 4.122 20 0 GIADLO O=C(CSC[C@@H]1CCCCO1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000170757041 823963490 /nfs/dbraw/zinc/96/34/90/823963490.db2.gz DHWFJQBZSXWRHK-IBGZPJMESA-N 1 2 385.533 4.127 20 0 GIADLO CO[C@@H](C)c1noc(C[NH2+][C@](C)(c2ccc(Br)cc2)C(C)C)n1 ZINC000192373737 823963625 /nfs/dbraw/zinc/96/36/25/823963625.db2.gz ZJLFKBOHCBCIBO-SJCJKPOMSA-N 1 2 382.302 4.201 20 0 GIADLO COc1ccc([C@H](NCc2c[nH+]c(N(C)C)n2C)c2ccccc2Cl)cc1 ZINC000414356762 823963557 /nfs/dbraw/zinc/96/35/57/823963557.db2.gz GREMIOLKFQPGCB-FQEVSTJZSA-N 1 2 384.911 4.027 20 0 GIADLO COc1ccc([C@@H](NCc2c[nH+]c(N(C)C)n2C)c2ccccc2Cl)cc1 ZINC000414356763 823963805 /nfs/dbraw/zinc/96/38/05/823963805.db2.gz GREMIOLKFQPGCB-HXUWFJFHSA-N 1 2 384.911 4.027 20 0 GIADLO Cc1cc([C@H](NCc2c[nH+]c(N(C)C)n2C)c2ccccc2Cl)ccc1F ZINC000414356018 823963877 /nfs/dbraw/zinc/96/38/77/823963877.db2.gz DBPKGHGOVLAKHD-FQEVSTJZSA-N 1 2 386.902 4.466 20 0 GIADLO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](Cc1ccc(C)nn1)CC2 ZINC000414366392 823966470 /nfs/dbraw/zinc/96/64/70/823966470.db2.gz BPGYRLNJPXIQRQ-NRFANRHFSA-N 1 2 381.501 4.011 20 0 GIADLO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](Cc1ccc(C)nn1)CC2 ZINC000414366392 823966475 /nfs/dbraw/zinc/96/64/75/823966475.db2.gz BPGYRLNJPXIQRQ-NRFANRHFSA-N 1 2 381.501 4.011 20 0 GIADLO Cc1cc(C(=O)NC2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)c(C)o1 ZINC000170775526 823968238 /nfs/dbraw/zinc/96/82/38/823968238.db2.gz VDYBWNGIJDDQDY-UHFFFAOYSA-N 1 2 387.549 4.405 20 0 GIADLO CCn1ccnc1[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000575434964 823970760 /nfs/dbraw/zinc/97/07/60/823970760.db2.gz ZYZTZWYPZDVYKH-NVXWUHKLSA-N 1 2 398.334 4.177 20 0 GIADLO CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000575434964 823970762 /nfs/dbraw/zinc/97/07/62/823970762.db2.gz ZYZTZWYPZDVYKH-NVXWUHKLSA-N 1 2 398.334 4.177 20 0 GIADLO C[C@H]1C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000126875818 823971807 /nfs/dbraw/zinc/97/18/07/823971807.db2.gz RPOMIBDVQDBPNF-FDDCHVKYSA-N 1 2 396.506 4.414 20 0 GIADLO C[C@H]1C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000126875818 823971814 /nfs/dbraw/zinc/97/18/14/823971814.db2.gz RPOMIBDVQDBPNF-FDDCHVKYSA-N 1 2 396.506 4.414 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(Cl)nc(Cl)c2)C[C@H](C)O1 ZINC000126918914 823980349 /nfs/dbraw/zinc/98/03/49/823980349.db2.gz BDYYDAVVIYZPOH-BETUJISGSA-N 1 2 394.302 4.250 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(Cl)nc(Cl)c2)C[C@H](C)O1 ZINC000126918914 823980358 /nfs/dbraw/zinc/98/03/58/823980358.db2.gz BDYYDAVVIYZPOH-BETUJISGSA-N 1 2 394.302 4.250 20 0 GIADLO Cc1cc(C)c(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000170840978 823987146 /nfs/dbraw/zinc/98/71/46/823987146.db2.gz LFFUVLBRCJBACB-UHFFFAOYSA-N 1 2 391.393 4.405 20 0 GIADLO O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000126952279 823987922 /nfs/dbraw/zinc/98/79/22/823987922.db2.gz JXHRJBWVFZCKJT-NRFANRHFSA-N 1 2 388.858 4.440 20 0 GIADLO O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000126952067 823988023 /nfs/dbraw/zinc/98/80/23/823988023.db2.gz JXHRJBWVFZCKJT-OAQYLSRUSA-N 1 2 388.858 4.440 20 0 GIADLO CCOc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OCC ZINC000126961374 823989962 /nfs/dbraw/zinc/98/99/62/823989962.db2.gz PXRVCLSCGHQUOC-UHFFFAOYSA-N 1 2 384.520 4.480 20 0 GIADLO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OCC ZINC000126961374 823989970 /nfs/dbraw/zinc/98/99/70/823989970.db2.gz PXRVCLSCGHQUOC-UHFFFAOYSA-N 1 2 384.520 4.480 20 0 GIADLO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000126963980 823990409 /nfs/dbraw/zinc/99/04/09/823990409.db2.gz BEQANIDBQKJSDR-UHFFFAOYSA-N 1 2 387.749 4.181 20 0 GIADLO CC[N@H+](Cc1sccc1Br)Cc1ccc(C(=O)N(C)C)cc1 ZINC000170872972 823996250 /nfs/dbraw/zinc/99/62/50/823996250.db2.gz HULAYDRQQWQXIY-UHFFFAOYSA-N 1 2 381.339 4.235 20 0 GIADLO CC[N@@H+](Cc1sccc1Br)Cc1ccc(C(=O)N(C)C)cc1 ZINC000170872972 823996254 /nfs/dbraw/zinc/99/62/54/823996254.db2.gz HULAYDRQQWQXIY-UHFFFAOYSA-N 1 2 381.339 4.235 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000126994273 823996799 /nfs/dbraw/zinc/99/67/99/823996799.db2.gz CFTDNTAFNNDZJE-FQEVSTJZSA-N 1 2 390.535 4.210 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000126994273 823996807 /nfs/dbraw/zinc/99/68/07/823996807.db2.gz CFTDNTAFNNDZJE-FQEVSTJZSA-N 1 2 390.535 4.210 20 0 GIADLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414502712 823996914 /nfs/dbraw/zinc/99/69/14/823996914.db2.gz HKAFVPZCLLUSDD-MRXNPFEDSA-N 1 2 392.540 4.001 20 0 GIADLO CS(=O)(=O)c1ccccc1C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000414510084 823998409 /nfs/dbraw/zinc/99/84/09/823998409.db2.gz TZOAYAUMMARAJQ-UHFFFAOYSA-N 1 2 377.815 4.052 20 0 GIADLO CC[C@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)c1nc(C)cs1 ZINC000170888649 824000949 /nfs/dbraw/zinc/00/09/49/824000949.db2.gz RQYOYUXLMOVRRP-KRWDZBQOSA-N 1 2 394.544 4.259 20 0 GIADLO CC[C@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)c1nc(C)cs1 ZINC000170888649 824000952 /nfs/dbraw/zinc/00/09/52/824000952.db2.gz RQYOYUXLMOVRRP-KRWDZBQOSA-N 1 2 394.544 4.259 20 0 GIADLO Fc1cccc(Br)c1C[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000192468253 824002593 /nfs/dbraw/zinc/00/25/93/824002593.db2.gz NMVYIWFJHMMZMH-UHFFFAOYSA-N 1 2 393.178 4.214 20 0 GIADLO c1c(C[NH2+]Cc2nnc(C3CC3)s2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414560987 824013212 /nfs/dbraw/zinc/01/32/12/824013212.db2.gz YBUGOZHSFAWZGH-UHFFFAOYSA-N 1 2 380.521 4.079 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCCc4cc(N)ccc43)n2)C1 ZINC000414748579 824032739 /nfs/dbraw/zinc/03/27/39/824032739.db2.gz IRZZABODXHPUIU-LIRRHRJNSA-N 1 2 399.564 4.156 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCCc4cc(N)ccc43)n2)C1 ZINC000414748579 824032746 /nfs/dbraw/zinc/03/27/46/824032746.db2.gz IRZZABODXHPUIU-LIRRHRJNSA-N 1 2 399.564 4.156 20 0 GIADLO Cc1[nH]c(-c2cccc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)c2)[nH+]c1C ZINC000359937777 209203275 /nfs/dbraw/zinc/20/32/75/209203275.db2.gz QVZPIADTJJVEJC-SFHVURJKSA-N 1 2 392.484 4.135 20 0 GIADLO CC(C)[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc(F)cc1F ZINC000359896978 209199569 /nfs/dbraw/zinc/19/95/69/209199569.db2.gz JHSBVNVKPSDHEN-MJGOQNOKSA-N 1 2 383.435 4.309 20 0 GIADLO CCC[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc(F)cc1F ZINC000359893727 209198998 /nfs/dbraw/zinc/19/89/98/209198998.db2.gz CGAOIVYOXBUSBC-MSOLQXFVSA-N 1 2 383.435 4.453 20 0 GIADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000359874774 209197488 /nfs/dbraw/zinc/19/74/88/209197488.db2.gz MWJXQXJCDUGCLY-JXFKEZNVSA-N 1 2 392.528 4.051 20 0 GIADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000359874774 209197483 /nfs/dbraw/zinc/19/74/83/209197483.db2.gz MWJXQXJCDUGCLY-JXFKEZNVSA-N 1 2 392.528 4.051 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000067645401 211014536 /nfs/dbraw/zinc/01/45/36/211014536.db2.gz DOMMKIWKXNOKDJ-IBGZPJMESA-N 1 2 382.414 4.197 20 0 GIADLO C[C@H](Sc1ccccn1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000175818020 823047326 /nfs/dbraw/zinc/04/73/26/823047326.db2.gz ZLWXOLXHLJUUOO-HNNXBMFYSA-N 1 2 378.501 4.401 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)CC2(O)CCCCCC2)cs1)c1ccccc1 ZINC000187348537 823047330 /nfs/dbraw/zinc/04/73/30/823047330.db2.gz LUEOZNPOPAULBQ-UHFFFAOYSA-N 1 2 387.549 4.345 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)CC2(O)CCCCCC2)cs1)c1ccccc1 ZINC000187348537 823047334 /nfs/dbraw/zinc/04/73/34/823047334.db2.gz LUEOZNPOPAULBQ-UHFFFAOYSA-N 1 2 387.549 4.345 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000175847016 823054002 /nfs/dbraw/zinc/05/40/02/823054002.db2.gz KKKKRQZICOHTGY-NRFANRHFSA-N 1 2 396.510 4.156 20 0 GIADLO CC(F)(F)c1cccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000187382705 823053598 /nfs/dbraw/zinc/05/35/98/823053598.db2.gz PKKOUYGSMDISFM-UHFFFAOYSA-N 1 2 398.413 4.276 20 0 GIADLO CCCCc1nnc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)s1 ZINC000120728859 823053664 /nfs/dbraw/zinc/05/36/64/823053664.db2.gz MFXAHDMJRHPMQP-AEFFLSMTSA-N 1 2 396.520 4.128 20 0 GIADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000570554818 823053676 /nfs/dbraw/zinc/05/36/76/823053676.db2.gz BFDLCEOWLHRKRX-XHDPSFHLSA-N 1 2 378.263 4.248 20 0 GIADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000570554818 823053686 /nfs/dbraw/zinc/05/36/86/823053686.db2.gz BFDLCEOWLHRKRX-XHDPSFHLSA-N 1 2 378.263 4.248 20 0 GIADLO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1nccn1CC(F)(F)F)c1cccs1 ZINC000175859331 823057079 /nfs/dbraw/zinc/05/70/79/823057079.db2.gz YHNKJEWNWYKXMG-LSDHHAIUSA-N 1 2 387.471 4.375 20 0 GIADLO O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1nccn1CC(F)(F)F)c1cccs1 ZINC000175859331 823057084 /nfs/dbraw/zinc/05/70/84/823057084.db2.gz YHNKJEWNWYKXMG-LSDHHAIUSA-N 1 2 387.471 4.375 20 0 GIADLO CCO[C@H](C)c1nc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)cs1 ZINC000120762237 823059130 /nfs/dbraw/zinc/05/91/30/823059130.db2.gz WQOXBFDIWIEFBH-KUHUBIRLSA-N 1 2 378.513 4.325 20 0 GIADLO Cn1nc(C2CC2)nc1C[N@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000570628533 823064381 /nfs/dbraw/zinc/06/43/81/823064381.db2.gz YBBWJXQRYWCXDI-UHFFFAOYSA-N 1 2 396.514 4.067 20 0 GIADLO Cn1nc(C2CC2)nc1C[N@@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000570628533 823064385 /nfs/dbraw/zinc/06/43/85/823064385.db2.gz YBBWJXQRYWCXDI-UHFFFAOYSA-N 1 2 396.514 4.067 20 0 GIADLO C[C@H](CC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)n1cc[nH+]c1 ZINC000570635511 823065219 /nfs/dbraw/zinc/06/52/19/823065219.db2.gz KJHQFCUOEQVWLC-CYBMUJFWSA-N 1 2 386.908 4.196 20 0 GIADLO C[C@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Br)cc1 ZINC000120826092 823072025 /nfs/dbraw/zinc/07/20/25/823072025.db2.gz ARVPGYWAMIMGMD-CQSZACIVSA-N 1 2 376.298 4.003 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c(C)[nH+]1 ZINC000570674432 823070693 /nfs/dbraw/zinc/07/06/93/823070693.db2.gz PLBFHHIFRDAIGU-OAHLLOKOSA-N 1 2 394.397 4.106 20 0 GIADLO O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000175913739 823071093 /nfs/dbraw/zinc/07/10/93/823071093.db2.gz PBXZOXHWAHHVET-UHFFFAOYSA-N 1 2 380.879 4.439 20 0 GIADLO CCC[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000120822925 823071560 /nfs/dbraw/zinc/07/15/60/823071560.db2.gz ADTRFYFHQFEJTQ-OAHLLOKOSA-N 1 2 378.563 4.226 20 0 GIADLO CCC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000120822925 823071563 /nfs/dbraw/zinc/07/15/63/823071563.db2.gz ADTRFYFHQFEJTQ-OAHLLOKOSA-N 1 2 378.563 4.226 20 0 GIADLO S=c1[nH]nc(Cc2cccs2)n1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000175927176 823074794 /nfs/dbraw/zinc/07/47/94/823074794.db2.gz WYANWIQRCLXSDY-UHFFFAOYSA-N 1 2 380.608 4.302 20 0 GIADLO S=c1[nH]nc(Cc2cccs2)n1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000175927176 823074796 /nfs/dbraw/zinc/07/47/96/823074796.db2.gz WYANWIQRCLXSDY-UHFFFAOYSA-N 1 2 380.608 4.302 20 0 GIADLO CN(CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(Cl)cn1 ZINC000055996946 823076409 /nfs/dbraw/zinc/07/64/09/823076409.db2.gz PNWQECDRWDBRCO-UHFFFAOYSA-N 1 2 395.894 4.010 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1=NO[C@H](c2ccccc2)C1 ZINC000055996960 823076464 /nfs/dbraw/zinc/07/64/64/823076464.db2.gz UVWMNSSXMIBYAM-NRFANRHFSA-N 1 2 386.455 4.343 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1=NO[C@@H](c2ccccc2)C1 ZINC000055996961 823076519 /nfs/dbraw/zinc/07/65/19/823076519.db2.gz UVWMNSSXMIBYAM-OAQYLSRUSA-N 1 2 386.455 4.343 20 0 GIADLO C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCC[C@@H](Cc5[nH+]ccn5C)C4)cc3c2C1 ZINC000120856782 823077782 /nfs/dbraw/zinc/07/77/82/823077782.db2.gz AWQRIKFTXIUZSR-IRXDYDNUSA-N 1 2 390.531 4.121 20 0 GIADLO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000570733328 823078025 /nfs/dbraw/zinc/07/80/25/823078025.db2.gz JOMYYPSOZHXULB-SFHLNBCPSA-N 1 2 379.504 4.210 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cccc2[nH]ccc21 ZINC000175950831 823080568 /nfs/dbraw/zinc/08/05/68/823080568.db2.gz ILWAOHJSDOIRKJ-UHFFFAOYSA-N 1 2 388.496 4.435 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cccc2[nH]ccc21 ZINC000175950831 823080572 /nfs/dbraw/zinc/08/05/72/823080572.db2.gz ILWAOHJSDOIRKJ-UHFFFAOYSA-N 1 2 388.496 4.435 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)c2ccc(F)cc2)cn1 ZINC000187521700 823080627 /nfs/dbraw/zinc/08/06/27/823080627.db2.gz WZOJGUUFIIEQCC-OAQYLSRUSA-N 1 2 395.869 4.278 20 0 GIADLO Cn1c2ccccc2nc1[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000570763653 823083004 /nfs/dbraw/zinc/08/30/04/823083004.db2.gz DXUAKKIRQQBLKH-NRFANRHFSA-N 1 2 396.454 4.132 20 0 GIADLO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187536291 823084288 /nfs/dbraw/zinc/08/42/88/823084288.db2.gz KECHQLJTFKOTKT-CYBMUJFWSA-N 1 2 389.272 4.328 20 0 GIADLO C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000570836899 823093510 /nfs/dbraw/zinc/09/35/10/823093510.db2.gz XMZIBLAMKWSSOS-LIWAJOSJSA-N 1 2 375.472 4.001 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000176006591 823094116 /nfs/dbraw/zinc/09/41/16/823094116.db2.gz XVDJDJNTAPPWDD-HXUWFJFHSA-N 1 2 398.576 4.330 20 0 GIADLO COCC1=CC[N@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1 ZINC000187621713 823099298 /nfs/dbraw/zinc/09/92/98/823099298.db2.gz NEVHIXBWKLIVPP-UHFFFAOYSA-N 1 2 380.319 4.325 20 0 GIADLO COCC1=CC[N@@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)CC1 ZINC000187621713 823099303 /nfs/dbraw/zinc/09/93/03/823099303.db2.gz NEVHIXBWKLIVPP-UHFFFAOYSA-N 1 2 380.319 4.325 20 0 GIADLO CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000458892545 823102670 /nfs/dbraw/zinc/10/26/70/823102670.db2.gz WPVKPOGCPZMOKI-CABCVRRESA-N 1 2 392.956 4.341 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC13CCC(C(F)(F)F)(CC1)CC3)C2 ZINC000570897507 823104810 /nfs/dbraw/zinc/10/48/10/823104810.db2.gz IKIHIISIVRSSJF-XYJCDUHRSA-N 1 2 383.458 4.410 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC13CCC(C(F)(F)F)(CC1)CC3)CC2 ZINC000570897507 823104811 /nfs/dbraw/zinc/10/48/11/823104811.db2.gz IKIHIISIVRSSJF-XYJCDUHRSA-N 1 2 383.458 4.410 20 0 GIADLO C[C@@H]1C[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C[C@H](c2ccsc2)O1 ZINC000121038848 823107070 /nfs/dbraw/zinc/10/70/70/823107070.db2.gz OUZZAMYDMXWYSU-RDTXWAMCSA-N 1 2 376.547 4.484 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C[C@H](c2ccsc2)O1 ZINC000121038848 823107072 /nfs/dbraw/zinc/10/70/72/823107072.db2.gz OUZZAMYDMXWYSU-RDTXWAMCSA-N 1 2 376.547 4.484 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000458993379 823114037 /nfs/dbraw/zinc/11/40/37/823114037.db2.gz DPKYYESTBJBVKQ-CRAIPNDOSA-N 1 2 390.890 4.253 20 0 GIADLO C[C@H](CCNC(=O)N(C)CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000121070133 823112634 /nfs/dbraw/zinc/11/26/34/823112634.db2.gz MTNIVFLWLSQNQR-OAHLLOKOSA-N 1 2 382.430 4.127 20 0 GIADLO C[N@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1ccc(F)cc1 ZINC000056267211 823117106 /nfs/dbraw/zinc/11/71/06/823117106.db2.gz JAEJAMKMGQSKGJ-UHFFFAOYSA-N 1 2 382.258 4.332 20 0 GIADLO C[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)Cc1ccc(F)cc1 ZINC000056267211 823117108 /nfs/dbraw/zinc/11/71/08/823117108.db2.gz JAEJAMKMGQSKGJ-UHFFFAOYSA-N 1 2 382.258 4.332 20 0 GIADLO O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056275273 823119081 /nfs/dbraw/zinc/11/90/81/823119081.db2.gz PNZWBWVUKCTJNS-SFHVURJKSA-N 1 2 397.862 4.336 20 0 GIADLO Fc1ccc([C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)c2ncc[nH]2)cc1 ZINC000187719404 823119811 /nfs/dbraw/zinc/11/98/11/823119811.db2.gz YNJPPHIZLFVNNO-QGZVFWFLSA-N 1 2 379.357 4.369 20 0 GIADLO CCOc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000571019613 823121032 /nfs/dbraw/zinc/12/10/32/823121032.db2.gz LFPQTOKYHLLBDM-MRXNPFEDSA-N 1 2 377.444 4.275 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c[nH+]1 ZINC000459081957 823125395 /nfs/dbraw/zinc/12/53/95/823125395.db2.gz RFXRUEZBHOOAGS-IBGZPJMESA-N 1 2 391.475 4.185 20 0 GIADLO CC(C)Oc1cc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)ccn1 ZINC000571076412 823128397 /nfs/dbraw/zinc/12/83/97/823128397.db2.gz HQQJHULWXLTDGO-UHFFFAOYSA-N 1 2 376.460 4.321 20 0 GIADLO CO[C@@H](C)c1nc(C)c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)s1 ZINC000176125942 823129193 /nfs/dbraw/zinc/12/91/93/823129193.db2.gz ULNYCKBMBASZDH-ZDUSSCGKSA-N 1 2 394.566 4.100 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000121166249 823130973 /nfs/dbraw/zinc/13/09/73/823130973.db2.gz CKDWXZGQNLSYSA-OAHLLOKOSA-N 1 2 377.529 4.365 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000121166249 823130980 /nfs/dbraw/zinc/13/09/80/823130980.db2.gz CKDWXZGQNLSYSA-OAHLLOKOSA-N 1 2 377.529 4.365 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(Cc2cccc(Br)c2)C2CC2)c[nH+]1 ZINC000459123659 823131103 /nfs/dbraw/zinc/13/11/03/823131103.db2.gz PMZNPXMMBHWYLP-UHFFFAOYSA-N 1 2 388.309 4.335 20 0 GIADLO O=C(CCOc1ccc(Cl)cc1Cl)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000056368563 823138387 /nfs/dbraw/zinc/13/83/87/823138387.db2.gz BKRWNYOBXHDZQO-UHFFFAOYSA-N 1 2 394.302 4.074 20 0 GIADLO Cc1ccc(Nc2nn(CN3CC[C@@H](Oc4cc[nH+]cc4)C3)c(=S)s2)cc1 ZINC000121212965 823140103 /nfs/dbraw/zinc/14/01/03/823140103.db2.gz HXPMMYDURZRTQC-QGZVFWFLSA-N 1 2 399.545 4.232 20 0 GIADLO O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000571146807 823140773 /nfs/dbraw/zinc/14/07/73/823140773.db2.gz BRUVYIYXENVIRQ-BFYDXBDKSA-N 1 2 392.425 4.264 20 0 GIADLO CC[C@]1(C)Oc2ccc(NC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)cc2O1 ZINC000571159863 823142467 /nfs/dbraw/zinc/14/24/67/823142467.db2.gz BISUVTJFLVSOCP-HTAPYJJXSA-N 1 2 377.444 4.468 20 0 GIADLO CC(C)(C)OC(=O)N1CCc2cccc(C[N@@H+]3CCC[C@H](c4ccn[nH]4)C3)c21 ZINC000121229758 823143201 /nfs/dbraw/zinc/14/32/01/823143201.db2.gz JBGCPQAXPYVKPH-KRWDZBQOSA-N 1 2 382.508 4.087 20 0 GIADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1occc1CSc1ccccc1 ZINC000571189842 823146015 /nfs/dbraw/zinc/14/60/15/823146015.db2.gz YWCDUHATBIHXPU-UHFFFAOYSA-N 1 2 390.468 4.464 20 0 GIADLO O=C(Nc1ccc(-n2cccn2)cc1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000121269343 823151978 /nfs/dbraw/zinc/15/19/78/823151978.db2.gz HZRWYCKCKPYDIE-VXKWHMMOSA-N 1 2 398.470 4.119 20 0 GIADLO O=C(CCCc1cc(Cl)sc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121287236 823155430 /nfs/dbraw/zinc/15/54/30/823155430.db2.gz CVMWMHVOTSSHPK-CQSZACIVSA-N 1 2 385.316 4.453 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccccc2SC)cc(Cl)c1O ZINC000459294575 823157705 /nfs/dbraw/zinc/15/77/05/823157705.db2.gz PMFXRFSLUMXSCF-UHFFFAOYSA-N 1 2 394.924 4.237 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)cc(Cl)c1O ZINC000459294575 823157707 /nfs/dbraw/zinc/15/77/07/823157707.db2.gz PMFXRFSLUMXSCF-UHFFFAOYSA-N 1 2 394.924 4.237 20 0 GIADLO C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000459334249 823163333 /nfs/dbraw/zinc/16/33/33/823163333.db2.gz KXRKUNZNAUTXRF-QPJJXVBHSA-N 1 2 386.499 4.264 20 0 GIADLO C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000459334249 823163336 /nfs/dbraw/zinc/16/33/36/823163336.db2.gz KXRKUNZNAUTXRF-QPJJXVBHSA-N 1 2 386.499 4.264 20 0 GIADLO Cc1nc2ccc(NC(=O)N[C@@H]3c4ccccc4CC[C@@H]3n3cc[nH+]c3)cc2o1 ZINC000121327953 823164162 /nfs/dbraw/zinc/16/41/62/823164162.db2.gz MLGULHGCZRUSHH-PZJWPPBQSA-N 1 2 387.443 4.383 20 0 GIADLO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(c3ccccc3F)CC2)c1C ZINC000571325694 823165527 /nfs/dbraw/zinc/16/55/27/823165527.db2.gz QULCWCWNYVOREM-OAHLLOKOSA-N 1 2 386.467 4.008 20 0 GIADLO CCOC(=O)c1noc(C[N@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)n1 ZINC000459346511 823167132 /nfs/dbraw/zinc/16/71/32/823167132.db2.gz XEFKPDFVAHBVLY-UHFFFAOYSA-N 1 2 397.397 4.210 20 0 GIADLO CCOC(=O)c1noc(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)n1 ZINC000459346511 823167135 /nfs/dbraw/zinc/16/71/35/823167135.db2.gz XEFKPDFVAHBVLY-UHFFFAOYSA-N 1 2 397.397 4.210 20 0 GIADLO Cn1c[nH+]cc1CCNC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000121351069 823168432 /nfs/dbraw/zinc/16/84/32/823168432.db2.gz XCIJEGVPQVMDID-LJQANCHMSA-N 1 2 385.920 4.266 20 0 GIADLO CC(C)Oc1ccccc1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000056562732 823170664 /nfs/dbraw/zinc/17/06/64/823170664.db2.gz UKXXNMXWFVYTDN-UHFFFAOYSA-N 1 2 388.537 4.238 20 0 GIADLO Oc1cccc(CNC[C@H](c2ccco2)[NH+]2CCCCC2)c1Br ZINC000459358303 823170795 /nfs/dbraw/zinc/17/07/95/823170795.db2.gz CPESGNPFHFATKJ-OAHLLOKOSA-N 1 2 379.298 4.065 20 0 GIADLO CC[C@@H](C)Oc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000056564540 823171155 /nfs/dbraw/zinc/17/11/55/823171155.db2.gz PCKMXWCGHYNGJH-GOSISDBHSA-N 1 2 397.519 4.018 20 0 GIADLO COc1ccccc1Oc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000056576882 823173620 /nfs/dbraw/zinc/17/36/20/823173620.db2.gz PDLUEMDPGXYYCO-UHFFFAOYSA-N 1 2 380.448 4.286 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000176293363 823174370 /nfs/dbraw/zinc/17/43/70/823174370.db2.gz IZCCBDLQLNRVPE-UHFFFAOYSA-N 1 2 392.425 4.498 20 0 GIADLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459384507 823179226 /nfs/dbraw/zinc/17/92/26/823179226.db2.gz HJRZVZSMLHSECC-IBGZPJMESA-N 1 2 377.492 4.327 20 0 GIADLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459384507 823179229 /nfs/dbraw/zinc/17/92/29/823179229.db2.gz HJRZVZSMLHSECC-IBGZPJMESA-N 1 2 377.492 4.327 20 0 GIADLO COCc1cc(C[NH2+][C@H]2c3cc(Br)ccc3SC[C@@H]2C)no1 ZINC000459397908 823183274 /nfs/dbraw/zinc/18/32/74/823183274.db2.gz HYDGVRDKAUZJPW-MGPLVRAMSA-N 1 2 383.311 4.156 20 0 GIADLO Oc1cccc(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1Br ZINC000459401859 823184850 /nfs/dbraw/zinc/18/48/50/823184850.db2.gz YNURDNXGBDOAHY-FUHWJXTLSA-N 1 2 380.257 4.304 20 0 GIADLO CC(C)(C)c1nnc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)s1 ZINC000459434220 823191281 /nfs/dbraw/zinc/19/12/81/823191281.db2.gz HJLPZGKFYHVGDC-UHFFFAOYSA-N 1 2 396.564 4.499 20 0 GIADLO CSc1ccc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000056661916 823191931 /nfs/dbraw/zinc/19/19/31/823191931.db2.gz WSCMBCXEVSIYIV-CALCHBBNSA-N 1 2 399.560 4.339 20 0 GIADLO CSc1ccc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000056661916 823191934 /nfs/dbraw/zinc/19/19/34/823191934.db2.gz WSCMBCXEVSIYIV-CALCHBBNSA-N 1 2 399.560 4.339 20 0 GIADLO COc1cc(OC)cc([C@H]([NH2+]Cc2ccc(C3CC3)cc2)c2nccn2C)c1 ZINC000459464209 823197597 /nfs/dbraw/zinc/19/75/97/823197597.db2.gz MCFYHTIBSDFDNY-QFIPXVFZSA-N 1 2 377.488 4.194 20 0 GIADLO C[C@H](CNC(=O)[C@@H](Sc1ccccc1F)c1ccccc1)Cn1cc[nH+]c1 ZINC000176404452 823201101 /nfs/dbraw/zinc/20/11/01/823201101.db2.gz PPERTGOKSDHOBQ-UZLBHIALSA-N 1 2 383.492 4.308 20 0 GIADLO OC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000459466954 823198516 /nfs/dbraw/zinc/19/85/16/823198516.db2.gz POPFAFHQZFXTNY-GWCFXTLKSA-N 1 2 386.639 4.095 20 0 GIADLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2)CC[C@@H]1C(F)(F)F ZINC000459466954 823198520 /nfs/dbraw/zinc/19/85/20/823198520.db2.gz POPFAFHQZFXTNY-GWCFXTLKSA-N 1 2 386.639 4.095 20 0 GIADLO Fc1cc(Br)cc([C@H](CC2CC2)[NH2+]Cc2nc(C3CC3)no2)c1 ZINC000188188065 823200372 /nfs/dbraw/zinc/20/03/72/823200372.db2.gz SKLJDZVKJNHGLG-HNNXBMFYSA-N 1 2 380.261 4.480 20 0 GIADLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459488234 823202965 /nfs/dbraw/zinc/20/29/65/823202965.db2.gz IDSCUDVCWNTRPM-PXAZEXFGSA-N 1 2 393.409 4.040 20 0 GIADLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459488234 823202967 /nfs/dbraw/zinc/20/29/67/823202967.db2.gz IDSCUDVCWNTRPM-PXAZEXFGSA-N 1 2 393.409 4.040 20 0 GIADLO COc1ccc(C(=O)CCCCCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000188225111 823206297 /nfs/dbraw/zinc/20/62/97/823206297.db2.gz XSUSMWHWCLQBKM-NQIIRXRSSA-N 1 2 397.519 4.135 20 0 GIADLO OCC1([C@@H]([NH2+]Cc2nc(Cc3cccc(F)c3)no2)c2ccccc2)CCCC1 ZINC000459527349 823212016 /nfs/dbraw/zinc/21/20/16/823212016.db2.gz BRENDZIZARDRRN-QFIPXVFZSA-N 1 2 395.478 4.183 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cccc(-c2nccs2)c1 ZINC000056777825 823212084 /nfs/dbraw/zinc/21/20/84/823212084.db2.gz ALTNAEPDUBFHMC-UHFFFAOYSA-N 1 2 389.484 4.377 20 0 GIADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H](C1CC1)C(F)(F)F ZINC000571610874 823208820 /nfs/dbraw/zinc/20/88/20/823208820.db2.gz NFIROEABZKWZFX-MRXNPFEDSA-N 1 2 378.398 4.349 20 0 GIADLO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)[C@H]1Sc1ccccc1 ZINC000459533443 823213627 /nfs/dbraw/zinc/21/36/27/823213627.db2.gz VPRJEDPWRVWGGV-XLNGHYISSA-N 1 2 375.538 4.356 20 0 GIADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409451045 823221282 /nfs/dbraw/zinc/22/12/82/823221282.db2.gz DLIDNAAJKFGXDJ-BLIXFSHQSA-N 1 2 387.499 4.105 20 0 GIADLO COCc1nc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cs1 ZINC000409448734 823221315 /nfs/dbraw/zinc/22/13/15/823221315.db2.gz GTFPLSIQLOIPQT-JTQLQIEISA-N 1 2 377.457 4.144 20 0 GIADLO COCc1nc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cs1 ZINC000409448734 823221318 /nfs/dbraw/zinc/22/13/18/823221318.db2.gz GTFPLSIQLOIPQT-JTQLQIEISA-N 1 2 377.457 4.144 20 0 GIADLO COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](c1nccn1C)C(C)(C)CO ZINC000459571492 823223188 /nfs/dbraw/zinc/22/31/88/823223188.db2.gz GIHNGPWHEXXRGD-QFIPXVFZSA-N 1 2 393.531 4.254 20 0 GIADLO CC1(C)Cc2ccsc2C[N@@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000459580896 823224675 /nfs/dbraw/zinc/22/46/75/823224675.db2.gz LOQAUCUAONCXBZ-IBGZPJMESA-N 1 2 397.569 4.247 20 0 GIADLO CC1(C)Cc2ccsc2C[N@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000459580896 823224676 /nfs/dbraw/zinc/22/46/76/823224676.db2.gz LOQAUCUAONCXBZ-IBGZPJMESA-N 1 2 397.569 4.247 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000056873978 823226452 /nfs/dbraw/zinc/22/64/52/823226452.db2.gz GTKYFETVXXVIHS-UHFFFAOYSA-N 1 2 394.494 4.079 20 0 GIADLO Cc1ccccc1-n1ncc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1C(C)C ZINC000571733427 823227294 /nfs/dbraw/zinc/22/72/94/823227294.db2.gz RFMLOUPEVDNCCX-UHFFFAOYSA-N 1 2 377.492 4.047 20 0 GIADLO Cc1cccn2cc(C[S@](=O)[C@@H](C)c3nc(-c4ccccc4C)no3)[nH+]c12 ZINC000176518603 823227819 /nfs/dbraw/zinc/22/78/19/823227819.db2.gz FYDPQPZZPBITSR-QZXCRCNTSA-N 1 2 380.473 4.011 20 0 GIADLO CN(Cc1csc2ccccc12)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895721 823229206 /nfs/dbraw/zinc/22/92/06/823229206.db2.gz ALCBVYAQXFEHCM-UHFFFAOYSA-N 1 2 376.485 4.429 20 0 GIADLO CCCOc1c(Br)cc(C[NH+]2CC3(C2)CCOCC3)cc1OCC ZINC000459610641 823229203 /nfs/dbraw/zinc/22/92/03/823229203.db2.gz CICWBFDUIKPCSX-UHFFFAOYSA-N 1 2 398.341 4.249 20 0 GIADLO C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000056895359 823229350 /nfs/dbraw/zinc/22/93/50/823229350.db2.gz KQHHMEQAICHFEV-CQSZACIVSA-N 1 2 386.402 4.034 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000056895831 823229480 /nfs/dbraw/zinc/22/94/80/823229480.db2.gz ORRJQQJTWHHAFP-UHFFFAOYSA-N 1 2 390.462 4.400 20 0 GIADLO CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895837 823229668 /nfs/dbraw/zinc/22/96/68/823229668.db2.gz LLPDZJRLSPRZEW-UHFFFAOYSA-N 1 2 388.393 4.233 20 0 GIADLO CCCCn1c(SCc2cn3ccsc3n2)nnc1[C@H](CC)[NH+](C)C ZINC000176537422 823231962 /nfs/dbraw/zinc/23/19/62/823231962.db2.gz CXSPJGNPDMEEGP-AWEZNQCLSA-N 1 2 378.571 4.092 20 0 GIADLO Cc1cccn2cc(C[S@](=O)Cc3ncc(-c4cccc(Cl)c4)o3)[nH+]c12 ZINC000176539387 823232327 /nfs/dbraw/zinc/23/23/27/823232327.db2.gz QPBUGEAAKWFLAU-SANMLTNESA-N 1 2 385.876 4.400 20 0 GIADLO CCC[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCCC1 ZINC000409504530 823235987 /nfs/dbraw/zinc/23/59/87/823235987.db2.gz VAMHYTCRQVBEPC-OAQYLSRUSA-N 1 2 396.535 4.391 20 0 GIADLO Cc1ccc([C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C2CC2)cc1 ZINC000409502395 823236043 /nfs/dbraw/zinc/23/60/43/823236043.db2.gz PKPRALHBQLVVQZ-NRFANRHFSA-N 1 2 378.451 4.270 20 0 GIADLO COc1c(Cl)cccc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000056988963 823237760 /nfs/dbraw/zinc/23/77/60/823237760.db2.gz IZSLUACYGZAMOA-UHFFFAOYSA-N 1 2 375.881 4.177 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000571810772 823238133 /nfs/dbraw/zinc/23/81/33/823238133.db2.gz OFTJNXUREXOAQB-KBPBESRZSA-N 1 2 387.817 4.224 20 0 GIADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057024301 823240419 /nfs/dbraw/zinc/24/04/19/823240419.db2.gz UHPANZMASNUMJG-ZWKOTPCHSA-N 1 2 381.520 4.055 20 0 GIADLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C)n1C1CC1 ZINC000459658988 823242925 /nfs/dbraw/zinc/24/29/25/823242925.db2.gz JUDALTAHFFDKCL-IBGZPJMESA-N 1 2 398.469 4.304 20 0 GIADLO Cc1cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C)n1C1CC1 ZINC000459658988 823242930 /nfs/dbraw/zinc/24/29/30/823242930.db2.gz JUDALTAHFFDKCL-IBGZPJMESA-N 1 2 398.469 4.304 20 0 GIADLO C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000571842267 823243251 /nfs/dbraw/zinc/24/32/51/823243251.db2.gz SLAHTXJSFYISNR-INIZCTEOSA-N 1 2 383.492 4.115 20 0 GIADLO C[N@H+](CC1CC1)Cn1nc(COc2ccccc2Cl)n(C2CC2)c1=S ZINC000057088764 823248538 /nfs/dbraw/zinc/24/85/38/823248538.db2.gz DXBASJQAYVGACD-UHFFFAOYSA-N 1 2 378.929 4.281 20 0 GIADLO C[N@@H+](CC1CC1)Cn1nc(COc2ccccc2Cl)n(C2CC2)c1=S ZINC000057088764 823248539 /nfs/dbraw/zinc/24/85/39/823248539.db2.gz DXBASJQAYVGACD-UHFFFAOYSA-N 1 2 378.929 4.281 20 0 GIADLO C[C@H]1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000188485777 823248864 /nfs/dbraw/zinc/24/88/64/823248864.db2.gz OXCMYHQMGJYJSU-YOEHRIQHSA-N 1 2 377.410 4.043 20 0 GIADLO O=C(NC[C@H](Cc1ccccc1)c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000176660860 823260377 /nfs/dbraw/zinc/26/03/77/823260377.db2.gz PBISTFZCNQGKFD-QFIPXVFZSA-N 1 2 388.515 4.256 20 0 GIADLO O=c1nc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)[nH]c2scc(-c3ccco3)c21 ZINC000459786183 823264818 /nfs/dbraw/zinc/26/48/18/823264818.db2.gz DBASWLOIHNEFKL-GOEBONIOSA-N 1 2 399.516 4.030 20 0 GIADLO O=c1nc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)[nH]c2scc(-c3ccco3)c21 ZINC000459786183 823264824 /nfs/dbraw/zinc/26/48/24/823264824.db2.gz DBASWLOIHNEFKL-GOEBONIOSA-N 1 2 399.516 4.030 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000057216807 823265987 /nfs/dbraw/zinc/26/59/87/823265987.db2.gz VPSRNHRGLCKZHT-UHFFFAOYSA-N 1 2 381.863 4.213 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)ccc1OC(F)F ZINC000003540962 817481218 /nfs/dbraw/zinc/48/12/18/817481218.db2.gz JDGHNNXTDYOMHG-UHFFFAOYSA-N 1 2 392.446 4.292 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)ccc1OC(F)F ZINC000003540962 817481224 /nfs/dbraw/zinc/48/12/24/817481224.db2.gz JDGHNNXTDYOMHG-UHFFFAOYSA-N 1 2 392.446 4.292 20 0 GIADLO Cc1nc(CC2CC2)sc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000188594976 823269089 /nfs/dbraw/zinc/26/90/89/823269089.db2.gz JAEXHYZFAZQIQM-GJZGRUSLSA-N 1 2 399.560 4.266 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000003571035 817487480 /nfs/dbraw/zinc/48/74/80/817487480.db2.gz HQKPMOJXXKFBEG-LBPRGKRZSA-N 1 2 397.302 4.470 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000003571035 817487482 /nfs/dbraw/zinc/48/74/82/817487482.db2.gz HQKPMOJXXKFBEG-LBPRGKRZSA-N 1 2 397.302 4.470 20 0 GIADLO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000003588275 817490261 /nfs/dbraw/zinc/49/02/61/817490261.db2.gz DPOLLEPCFWYHGZ-UHFFFAOYSA-N 1 2 380.275 4.022 20 0 GIADLO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000003588275 817490266 /nfs/dbraw/zinc/49/02/66/817490266.db2.gz DPOLLEPCFWYHGZ-UHFFFAOYSA-N 1 2 380.275 4.022 20 0 GIADLO Cc1ccc(-c2c[nH]cc2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000188606393 823271693 /nfs/dbraw/zinc/27/16/93/823271693.db2.gz JCJAEMYLFVSNCS-UHFFFAOYSA-N 1 2 380.448 4.306 20 0 GIADLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000572085621 823280952 /nfs/dbraw/zinc/28/09/52/823280952.db2.gz UYMVGXAHGAGJAG-UHFFFAOYSA-N 1 2 392.421 4.114 20 0 GIADLO S=c1n2ccccc2nn1C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007142543 817770069 /nfs/dbraw/zinc/77/00/69/817770069.db2.gz RHHBNAFYWUOUID-AWEZNQCLSA-N 1 2 381.530 4.312 20 0 GIADLO S=c1n2ccccc2nn1C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007142543 817770077 /nfs/dbraw/zinc/77/00/77/817770077.db2.gz RHHBNAFYWUOUID-AWEZNQCLSA-N 1 2 381.530 4.312 20 0 GIADLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000176774081 823289952 /nfs/dbraw/zinc/28/99/52/823289952.db2.gz XPNTZZFGDFMVFZ-ZDUSSCGKSA-N 1 2 393.834 4.067 20 0 GIADLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057406390 823291896 /nfs/dbraw/zinc/29/18/96/823291896.db2.gz QLIUKRMOGLQBID-MRXNPFEDSA-N 1 2 391.437 4.163 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC1CC(c2ccccc2)C1 ZINC000409727348 823292227 /nfs/dbraw/zinc/29/22/27/823292227.db2.gz YGSCFZLVGOBEMR-UHFFFAOYSA-N 1 2 378.516 4.350 20 0 GIADLO Cc1cc(-c2nnc(C[N@@H+](C)Cc3ccc(Br)cc3)o2)c(C)o1 ZINC000007443662 817843258 /nfs/dbraw/zinc/84/32/58/817843258.db2.gz VRJRIEFLLORSIY-UHFFFAOYSA-N 1 2 376.254 4.341 20 0 GIADLO Cc1cc(-c2nnc(C[N@H+](C)Cc3ccc(Br)cc3)o2)c(C)o1 ZINC000007443662 817843269 /nfs/dbraw/zinc/84/32/69/817843269.db2.gz VRJRIEFLLORSIY-UHFFFAOYSA-N 1 2 376.254 4.341 20 0 GIADLO Clc1ccc(-n2c(C[NH+]3CCCC3)nnc2SCC[C@@H]2CCCO2)cc1 ZINC000188723914 823293420 /nfs/dbraw/zinc/29/34/20/823293420.db2.gz FJYYEBUZHYIPSH-KRWDZBQOSA-N 1 2 392.956 4.178 20 0 GIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc2c(s1)CCCCCC2 ZINC000409732333 823293451 /nfs/dbraw/zinc/29/34/51/823293451.db2.gz CNQBLJGPVNALNS-UHFFFAOYSA-N 1 2 384.545 4.492 20 0 GIADLO Cc1ccnc([C@@H](Nc2cc[nH+]c3c(Br)ccc(F)c23)C2CC2)n1 ZINC000409733480 823294146 /nfs/dbraw/zinc/29/41/46/823294146.db2.gz QTNWJHVAMILDIA-INIZCTEOSA-N 1 2 387.256 4.220 20 0 GIADLO Cc1ccc2c(CC(=O)Nc3cccc(C[NH+]4CCOCC4)c3)coc2c1C ZINC000409735682 823295073 /nfs/dbraw/zinc/29/50/73/823295073.db2.gz YWIOIVDJHKFOBS-UHFFFAOYSA-N 1 2 378.472 4.063 20 0 GIADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1Cc1ccccc1 ZINC000409738578 823296074 /nfs/dbraw/zinc/29/60/74/823296074.db2.gz VARGWGXVPVBWET-UHFFFAOYSA-N 1 2 386.495 4.362 20 0 GIADLO COc1cccc(C[N@H+](C)Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)c1 ZINC000007679195 817893308 /nfs/dbraw/zinc/89/33/08/817893308.db2.gz SYSCOCMOWQVGHN-UHFFFAOYSA-N 1 2 390.443 4.341 20 0 GIADLO COc1cccc(C[N@@H+](C)Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)c1 ZINC000007679195 817893315 /nfs/dbraw/zinc/89/33/15/817893315.db2.gz SYSCOCMOWQVGHN-UHFFFAOYSA-N 1 2 390.443 4.341 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2C)c1 ZINC000007716742 817901618 /nfs/dbraw/zinc/90/16/18/817901618.db2.gz FTMZAJRNHWLKEJ-LJQANCHMSA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2C)c1 ZINC000007716742 817901622 /nfs/dbraw/zinc/90/16/22/817901622.db2.gz FTMZAJRNHWLKEJ-LJQANCHMSA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 ZINC000007719636 817902247 /nfs/dbraw/zinc/90/22/47/817902247.db2.gz MLHZTULCDQIGJW-FQEVSTJZSA-N 1 2 382.504 4.405 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 ZINC000007719636 817902253 /nfs/dbraw/zinc/90/22/53/817902253.db2.gz MLHZTULCDQIGJW-FQEVSTJZSA-N 1 2 382.504 4.405 20 0 GIADLO Cn1cc(CC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)c2ccc(Cl)cc21 ZINC000572189531 823297077 /nfs/dbraw/zinc/29/70/77/823297077.db2.gz WGBBRLGBLWICOA-IBGZPJMESA-N 1 2 383.858 4.011 20 0 GIADLO CC[C@@H](C)Oc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000057479151 823301967 /nfs/dbraw/zinc/30/19/67/823301967.db2.gz YTRUCNGBIXBXIY-GOSISDBHSA-N 1 2 397.519 4.018 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000409748064 823298142 /nfs/dbraw/zinc/29/81/42/823298142.db2.gz HVEJPJBRJSSUMR-UHFFFAOYSA-N 1 2 388.899 4.364 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)s1 ZINC000122046389 823298228 /nfs/dbraw/zinc/29/82/28/823298228.db2.gz UDMGLBQNVOQSQO-LSDHHAIUSA-N 1 2 377.529 4.365 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)s1 ZINC000122046389 823298230 /nfs/dbraw/zinc/29/82/30/823298230.db2.gz UDMGLBQNVOQSQO-LSDHHAIUSA-N 1 2 377.529 4.365 20 0 GIADLO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3ccc(C(C)=O)cc3)ccc2c1 ZINC000007926629 817960874 /nfs/dbraw/zinc/96/08/74/817960874.db2.gz PTCLATPFNLPKHU-UHFFFAOYSA-N 1 2 376.456 4.122 20 0 GIADLO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3ccc(C(C)=O)cc3)ccc2c1 ZINC000007926629 817960881 /nfs/dbraw/zinc/96/08/81/817960881.db2.gz PTCLATPFNLPKHU-UHFFFAOYSA-N 1 2 376.456 4.122 20 0 GIADLO CC[C@@H](C)Oc1cccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000057484638 823303067 /nfs/dbraw/zinc/30/30/67/823303067.db2.gz CLMAJUYILPMRAU-QGZVFWFLSA-N 1 2 378.476 4.430 20 0 GIADLO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000008000690 817978690 /nfs/dbraw/zinc/97/86/90/817978690.db2.gz RLBJTUYSBQCLMI-NRFANRHFSA-N 1 2 382.554 4.416 20 0 GIADLO CN(Cc1ccccc1)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000008000690 817978698 /nfs/dbraw/zinc/97/86/98/817978698.db2.gz RLBJTUYSBQCLMI-NRFANRHFSA-N 1 2 382.554 4.416 20 0 GIADLO COc1ccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000008000881 817978780 /nfs/dbraw/zinc/97/87/80/817978780.db2.gz PNGWOJNGRLIIGB-NRFANRHFSA-N 1 2 398.553 4.082 20 0 GIADLO COc1ccc(CNC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000008000881 817978784 /nfs/dbraw/zinc/97/87/84/817978784.db2.gz PNGWOJNGRLIIGB-NRFANRHFSA-N 1 2 398.553 4.082 20 0 GIADLO C[N@H+](CCOc1ccc(Br)cc1)Cc1nc(-c2ccccc2)no1 ZINC000008153574 818008292 /nfs/dbraw/zinc/00/82/92/818008292.db2.gz SZPSDTQRUBRYNT-UHFFFAOYSA-N 1 2 388.265 4.010 20 0 GIADLO C[N@@H+](CCOc1ccc(Br)cc1)Cc1nc(-c2ccccc2)no1 ZINC000008153574 818008299 /nfs/dbraw/zinc/00/82/99/818008299.db2.gz SZPSDTQRUBRYNT-UHFFFAOYSA-N 1 2 388.265 4.010 20 0 GIADLO C[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(Br)s1 ZINC000008164488 818009956 /nfs/dbraw/zinc/00/99/56/818009956.db2.gz LOBSKJCVKJWRKD-UHFFFAOYSA-N 1 2 379.323 4.070 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc(Br)s1 ZINC000008164488 818009967 /nfs/dbraw/zinc/00/99/67/818009967.db2.gz LOBSKJCVKJWRKD-UHFFFAOYSA-N 1 2 379.323 4.070 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CC(C)(C)C)n1CC ZINC000460178570 823307240 /nfs/dbraw/zinc/30/72/40/823307240.db2.gz AZUFUFUZVWWLOK-UHFFFAOYSA-N 1 2 384.572 4.025 20 0 GIADLO CCn1c(SCc2cn3cc(C)ccc3[nH+]2)nnc1-c1ccccc1OC ZINC000011195976 818060355 /nfs/dbraw/zinc/06/03/55/818060355.db2.gz WOJJJMZHPPCETP-UHFFFAOYSA-N 1 2 379.489 4.222 20 0 GIADLO C[N@H+](C/C=C\c1ccc(F)c(F)c1)CC(=O)Nc1ccccc1Br ZINC000572285521 823313764 /nfs/dbraw/zinc/31/37/64/823313764.db2.gz QYAZXOGFJKTCFP-PLNGDYQASA-N 1 2 395.247 4.311 20 0 GIADLO C[N@@H+](C/C=C\c1ccc(F)c(F)c1)CC(=O)Nc1ccccc1Br ZINC000572285521 823313769 /nfs/dbraw/zinc/31/37/69/823313769.db2.gz QYAZXOGFJKTCFP-PLNGDYQASA-N 1 2 395.247 4.311 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](c2ccco2)c2ccccc2)c1C ZINC000057609438 823314231 /nfs/dbraw/zinc/31/42/31/823314231.db2.gz DTVBIDJGNFHZSV-FQEVSTJZSA-N 1 2 379.460 4.231 20 0 GIADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1C ZINC000012393186 818157342 /nfs/dbraw/zinc/15/73/42/818157342.db2.gz YVODQXRPPNMOEB-UHFFFAOYSA-N 1 2 376.422 4.280 20 0 GIADLO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)s1)c1ccccc1 ZINC000057642446 823317215 /nfs/dbraw/zinc/31/72/15/823317215.db2.gz VLGGDRGDAQQDJT-CYBMUJFWSA-N 1 2 381.339 4.384 20 0 GIADLO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)s1)c1ccccc1 ZINC000057642446 823317216 /nfs/dbraw/zinc/31/72/16/823317216.db2.gz VLGGDRGDAQQDJT-CYBMUJFWSA-N 1 2 381.339 4.384 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(OC(F)F)cc2)s1 ZINC000122182133 823318116 /nfs/dbraw/zinc/31/81/16/823318116.db2.gz BKJZQDFQSIVBRH-GFCCVEGCSA-N 1 2 383.464 4.247 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(OC(F)F)cc2)s1 ZINC000122182133 823318124 /nfs/dbraw/zinc/31/81/24/823318124.db2.gz BKJZQDFQSIVBRH-GFCCVEGCSA-N 1 2 383.464 4.247 20 0 GIADLO Cc1ccc(F)cc1C1(c2noc(-c3ccccc3C[NH+]3CCOCC3)n2)CC1 ZINC000572323633 823320191 /nfs/dbraw/zinc/32/01/91/823320191.db2.gz RUEHIFLNYWANOR-UHFFFAOYSA-N 1 2 393.462 4.096 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](C)Cn2c3ccccc3n(C(F)F)c2=S)cc1 ZINC000014215152 818228817 /nfs/dbraw/zinc/22/88/17/818228817.db2.gz UHLRJJQQTIFZLR-UHFFFAOYSA-N 1 2 390.459 4.016 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](C)Cn2c3ccccc3n(C(F)F)c2=S)cc1 ZINC000014215152 818228822 /nfs/dbraw/zinc/22/88/22/818228822.db2.gz UHLRJJQQTIFZLR-UHFFFAOYSA-N 1 2 390.459 4.016 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000014327181 818235326 /nfs/dbraw/zinc/23/53/26/818235326.db2.gz AABQCWFDIHVHJR-SFHVURJKSA-N 1 2 394.515 4.234 20 0 GIADLO CC(=O)N(c1nc(CN2CCC(n3cc[nH+]c3)CC2)cs1)c1ccccc1F ZINC000176913675 823323143 /nfs/dbraw/zinc/32/31/43/823323143.db2.gz WXRCVSMDJYRTJE-UHFFFAOYSA-N 1 2 399.495 4.000 20 0 GIADLO CC(=O)c1c(F)cccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015115729 818291420 /nfs/dbraw/zinc/29/14/20/818291420.db2.gz ZRSZEWHSURHWBT-UHFFFAOYSA-N 1 2 380.385 4.369 20 0 GIADLO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000572349669 823325829 /nfs/dbraw/zinc/32/58/29/823325829.db2.gz UQCMLUHSSCCPJQ-CYBMUJFWSA-N 1 2 389.414 4.311 20 0 GIADLO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000572349669 823325836 /nfs/dbraw/zinc/32/58/36/823325836.db2.gz UQCMLUHSSCCPJQ-CYBMUJFWSA-N 1 2 389.414 4.311 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)c(OC)c1 ZINC000015298355 818308496 /nfs/dbraw/zinc/30/84/96/818308496.db2.gz BFMLIIBKOHSYJW-OAQYLSRUSA-N 1 2 384.520 4.039 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)c(OC)c1 ZINC000015298355 818308506 /nfs/dbraw/zinc/30/85/06/818308506.db2.gz BFMLIIBKOHSYJW-OAQYLSRUSA-N 1 2 384.520 4.039 20 0 GIADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC(C1CC1)C1CC1 ZINC000057749748 823328265 /nfs/dbraw/zinc/32/82/65/823328265.db2.gz BDJWTGCBSBZGMJ-KRWDZBQOSA-N 1 2 379.907 4.104 20 0 GIADLO C[C@@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1cc(Cl)ccc1Cl ZINC000409869557 823331216 /nfs/dbraw/zinc/33/12/16/823331216.db2.gz JDEKUMGPHOUCRB-SNVBAGLBSA-N 1 2 376.280 4.387 20 0 GIADLO Cc1cc(C)c(C)c(OCCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000409870061 823331334 /nfs/dbraw/zinc/33/13/34/823331334.db2.gz MDJRRARCUPPVSQ-UHFFFAOYSA-N 1 2 381.451 4.022 20 0 GIADLO CC[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000176947568 823331602 /nfs/dbraw/zinc/33/16/02/823331602.db2.gz KRJADPYNMTYAMX-GOSISDBHSA-N 1 2 391.437 4.379 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc(F)c(F)c1 ZINC000016237647 818408060 /nfs/dbraw/zinc/40/80/60/818408060.db2.gz WAGXFABJGZKMME-UHFFFAOYSA-N 1 2 385.439 4.232 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc(F)c(F)c1 ZINC000016237647 818408064 /nfs/dbraw/zinc/40/80/64/818408064.db2.gz WAGXFABJGZKMME-UHFFFAOYSA-N 1 2 385.439 4.232 20 0 GIADLO CCC[N@@H+](Cc1ccccc1)Cn1nc(-c2ccc(OC)cc2)n(C)c1=S ZINC000016350886 818427693 /nfs/dbraw/zinc/42/76/93/818427693.db2.gz CZCRGOBGRBTYHN-UHFFFAOYSA-N 1 2 382.533 4.496 20 0 GIADLO CCC[N@H+](Cc1ccccc1)Cn1nc(-c2ccc(OC)cc2)n(C)c1=S ZINC000016350886 818427694 /nfs/dbraw/zinc/42/76/94/818427694.db2.gz CZCRGOBGRBTYHN-UHFFFAOYSA-N 1 2 382.533 4.496 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1ccc(F)cc1 ZINC000016632750 818461302 /nfs/dbraw/zinc/46/13/02/818461302.db2.gz ACRLBYLQLMWALE-GOSISDBHSA-N 1 2 397.475 4.290 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1ccc(F)cc1 ZINC000016632750 818461306 /nfs/dbraw/zinc/46/13/06/818461306.db2.gz ACRLBYLQLMWALE-GOSISDBHSA-N 1 2 397.475 4.290 20 0 GIADLO CN(Cc1nc2ccccc2s1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000122353890 823342692 /nfs/dbraw/zinc/34/26/92/823342692.db2.gz GFBTYWBBLBWYAC-UHFFFAOYSA-N 1 2 395.532 4.023 20 0 GIADLO COc1ccccc1C[C@H](C)CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000409932491 823346487 /nfs/dbraw/zinc/34/64/87/823346487.db2.gz NWEQHQOYZJIGTA-OALUTQOASA-N 1 2 396.531 4.296 20 0 GIADLO COc1ccccc1C[C@H](C)CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000409932492 823346576 /nfs/dbraw/zinc/34/65/76/823346576.db2.gz NWEQHQOYZJIGTA-RBUKOAKNSA-N 1 2 396.531 4.296 20 0 GIADLO COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000409932490 823346719 /nfs/dbraw/zinc/34/67/19/823346719.db2.gz NWEQHQOYZJIGTA-MOPGFXCFSA-N 1 2 396.531 4.296 20 0 GIADLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000020543254 818624590 /nfs/dbraw/zinc/62/45/90/818624590.db2.gz HTLDSASGUATNLA-UHFFFAOYSA-N 1 2 394.302 4.352 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000057994210 823353863 /nfs/dbraw/zinc/35/38/63/823353863.db2.gz ZFZMNEFDBVWMHR-OAQYLSRUSA-N 1 2 398.457 4.225 20 0 GIADLO Cc1noc(C(C)C)c1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000021065966 818651531 /nfs/dbraw/zinc/65/15/31/818651531.db2.gz ZVBPRWNGAXZZGQ-UHFFFAOYSA-N 1 2 396.516 4.374 20 0 GIADLO Cc1noc(C(C)C)c1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000021065966 818651533 /nfs/dbraw/zinc/65/15/33/818651533.db2.gz ZVBPRWNGAXZZGQ-UHFFFAOYSA-N 1 2 396.516 4.374 20 0 GIADLO CN(C)C(=O)Sc1ccc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1 ZINC000122439562 823354540 /nfs/dbraw/zinc/35/45/40/823354540.db2.gz WTRUUTPOGPYEFQ-UHFFFAOYSA-N 1 2 380.395 4.272 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3c[nH]nc3-c3ccsc3)n2)CC1 ZINC000189066936 823351316 /nfs/dbraw/zinc/35/13/16/823351316.db2.gz FFKOZIJUKUOAAS-UHFFFAOYSA-N 1 2 387.534 4.079 20 0 GIADLO CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc4[nH+]ccn43)c12 ZINC000460334446 823356810 /nfs/dbraw/zinc/35/68/10/823356810.db2.gz JRXSKDDBGOMHGT-UHFFFAOYSA-N 1 2 387.399 4.335 20 0 GIADLO CCCc1c(C(=O)Nc2cccc3[nH+]ccn32)nnn1-c1cccc(C(C)C)c1 ZINC000460337052 823357534 /nfs/dbraw/zinc/35/75/34/823357534.db2.gz FZFZWCULDOMOHE-UHFFFAOYSA-N 1 2 388.475 4.243 20 0 GIADLO O=C(CCOc1ccc(Cl)cc1Br)Nc1cccc2[nH+]ccn21 ZINC000460338997 823357721 /nfs/dbraw/zinc/35/77/21/823357721.db2.gz ANHJGOMCASYNFE-UHFFFAOYSA-N 1 2 394.656 4.158 20 0 GIADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000460347937 823360232 /nfs/dbraw/zinc/36/02/32/823360232.db2.gz DYDVKIOHYBMTTD-LAUBAEHRSA-N 1 2 386.561 4.236 20 0 GIADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000460347937 823360239 /nfs/dbraw/zinc/36/02/39/823360239.db2.gz DYDVKIOHYBMTTD-LAUBAEHRSA-N 1 2 386.561 4.236 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2F)o1)N1CC[NH+](Cc2cccs2)CC1 ZINC000021929828 818756390 /nfs/dbraw/zinc/75/63/90/818756390.db2.gz ZITNSTBGNSUGMS-UHFFFAOYSA-N 1 2 398.503 4.424 20 0 GIADLO Cc1nc2ccccc2c(C)c1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022238353 818784730 /nfs/dbraw/zinc/78/47/30/818784730.db2.gz SCEAVANRXVVNME-UHFFFAOYSA-N 1 2 394.544 4.475 20 0 GIADLO CC(C)(C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1csc(-c2cccs2)n1 ZINC000409993881 823365419 /nfs/dbraw/zinc/36/54/19/823365419.db2.gz SYDDREHESWLFIL-OAHLLOKOSA-N 1 2 399.541 4.224 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000177085441 823367503 /nfs/dbraw/zinc/36/75/03/823367503.db2.gz TYQHEQREBKHMLF-UHFFFAOYSA-N 1 2 395.890 4.281 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2OC(F)(F)F)cc1 ZINC000022966543 818880958 /nfs/dbraw/zinc/88/09/58/818880958.db2.gz UIRHGUBCNMBWTR-CYBMUJFWSA-N 1 2 382.382 4.053 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2OC(F)(F)F)cc1 ZINC000022966543 818880964 /nfs/dbraw/zinc/88/09/64/818880964.db2.gz UIRHGUBCNMBWTR-CYBMUJFWSA-N 1 2 382.382 4.053 20 0 GIADLO Cc1cccc(C(C)(C)CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000058239500 823370883 /nfs/dbraw/zinc/37/08/83/823370883.db2.gz FIVVRNMFRZNQTG-UHFFFAOYSA-N 1 2 380.467 4.097 20 0 GIADLO CN(C)C(=O)C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)c1ccccc1 ZINC000572627669 823371520 /nfs/dbraw/zinc/37/15/20/823371520.db2.gz FCCZOJODECTTLV-HNNXBMFYSA-N 1 2 391.393 4.156 20 0 GIADLO CCCOc1ccc(C[N@H+](CCC)Cc2nc3ccccc3c(=O)[nH]2)cc1OC ZINC000023707544 818975954 /nfs/dbraw/zinc/97/59/54/818975954.db2.gz UNUZJZIPQKZIJE-UHFFFAOYSA-N 1 2 395.503 4.133 20 0 GIADLO CCCOc1ccc(C[N@@H+](CCC)Cc2nc3ccccc3c(=O)[nH]2)cc1OC ZINC000023707544 818975961 /nfs/dbraw/zinc/97/59/61/818975961.db2.gz UNUZJZIPQKZIJE-UHFFFAOYSA-N 1 2 395.503 4.133 20 0 GIADLO CCOc1ccc(-c2nc(C[NH+]3CCN(c4ccc(O)cc4)CC3)cs2)cc1 ZINC000023750634 818979453 /nfs/dbraw/zinc/97/94/53/818979453.db2.gz TXYNDVVEZBEGKP-UHFFFAOYSA-N 1 2 395.528 4.237 20 0 GIADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+](C)CCOc1ccccc1 ZINC000023815086 818985164 /nfs/dbraw/zinc/98/51/64/818985164.db2.gz YQJPYFSCRWNWRC-GJZGRUSLSA-N 1 2 397.544 4.181 20 0 GIADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+](C)CCOc1ccccc1 ZINC000023815086 818985169 /nfs/dbraw/zinc/98/51/69/818985169.db2.gz YQJPYFSCRWNWRC-GJZGRUSLSA-N 1 2 397.544 4.181 20 0 GIADLO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889417 818989938 /nfs/dbraw/zinc/98/99/38/818989938.db2.gz HONJNWLNNNABEH-ZDUSSCGKSA-N 1 2 386.249 4.041 20 0 GIADLO CSc1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)n1-c1ccccc1 ZINC000023890355 818990224 /nfs/dbraw/zinc/99/02/24/818990224.db2.gz DIKZIUFFTSAZHZ-UHFFFAOYSA-N 1 2 375.457 4.032 20 0 GIADLO O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050803 819016238 /nfs/dbraw/zinc/01/62/38/819016238.db2.gz UNWGOPKTONYVFB-UHFFFAOYSA-N 1 2 379.423 4.439 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3CCCC(F)(F)C3)n2)C1 ZINC000410051713 823380517 /nfs/dbraw/zinc/38/05/17/823380517.db2.gz JQDJOPICWRXHFC-KGLIPLIRSA-N 1 2 386.512 4.322 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3CCCC(F)(F)C3)n2)C1 ZINC000410051713 823380524 /nfs/dbraw/zinc/38/05/24/823380524.db2.gz JQDJOPICWRXHFC-KGLIPLIRSA-N 1 2 386.512 4.322 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000122617344 823382548 /nfs/dbraw/zinc/38/25/48/823382548.db2.gz PMIJVGUPACNWAV-WCQYABFASA-N 1 2 392.468 4.065 20 0 GIADLO COc1ccc(-n2ccn(C[N@H+](C)Cc3ccc(OC)c(F)c3)c2=S)cc1 ZINC000024585280 819076339 /nfs/dbraw/zinc/07/63/39/819076339.db2.gz ZQGANBJEUGZWMS-UHFFFAOYSA-N 1 2 387.480 4.254 20 0 GIADLO COc1ccc(-n2ccn(C[N@@H+](C)Cc3ccc(OC)c(F)c3)c2=S)cc1 ZINC000024585280 819076345 /nfs/dbraw/zinc/07/63/45/819076345.db2.gz ZQGANBJEUGZWMS-UHFFFAOYSA-N 1 2 387.480 4.254 20 0 GIADLO O[C@H](C[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1)c1ccco1 ZINC000177152852 823384838 /nfs/dbraw/zinc/38/48/38/823384838.db2.gz UAGPEQVBXVYTOY-LJQANCHMSA-N 1 2 375.428 4.065 20 0 GIADLO O[C@H](C[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1)c1ccco1 ZINC000177152852 823384841 /nfs/dbraw/zinc/38/48/41/823384841.db2.gz UAGPEQVBXVYTOY-LJQANCHMSA-N 1 2 375.428 4.065 20 0 GIADLO Cc1noc(C)c1C(C)(C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000572699855 823385589 /nfs/dbraw/zinc/38/55/89/823385589.db2.gz HDMCUAGSVVCNSQ-UHFFFAOYSA-N 1 2 378.476 4.408 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000177167313 823389070 /nfs/dbraw/zinc/38/90/70/823389070.db2.gz ICEPGIRSONYSLS-UHFFFAOYSA-N 1 2 387.443 4.272 20 0 GIADLO CCCc1ccc(C(=O)CCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000058414445 823387573 /nfs/dbraw/zinc/38/75/73/823387573.db2.gz PKASMOJLYQTSAI-UHFFFAOYSA-N 1 2 393.531 4.304 20 0 GIADLO C[C@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccc(Cl)s1 ZINC000177198119 823396994 /nfs/dbraw/zinc/39/69/94/823396994.db2.gz PDKXMUSEUUEAEM-AWEZNQCLSA-N 1 2 391.968 4.356 20 0 GIADLO FC(F)(F)COc1cccc(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000572777596 823397132 /nfs/dbraw/zinc/39/71/32/823397132.db2.gz KVKSQJVCKIUAGO-UHFFFAOYSA-N 1 2 380.410 4.072 20 0 GIADLO Cc1cc(Br)c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)s1 ZINC000572776452 823397277 /nfs/dbraw/zinc/39/72/77/823397277.db2.gz MTKTZXAYSIZNIF-JOCQHMNTSA-N 1 2 394.338 4.367 20 0 GIADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000189348479 823398950 /nfs/dbraw/zinc/39/89/50/823398950.db2.gz WGSLJHRNAVSKGZ-HNNXBMFYSA-N 1 2 384.501 4.172 20 0 GIADLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000410135555 823399203 /nfs/dbraw/zinc/39/92/03/823399203.db2.gz NXOQSACAJFIWRC-GIVPXCGWSA-N 1 2 382.552 4.234 20 0 GIADLO CC1CCN(c2ccc(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2)CC1 ZINC000058535574 823405748 /nfs/dbraw/zinc/40/57/48/823405748.db2.gz MERWGYBDDQFVIP-UHFFFAOYSA-N 1 2 393.535 4.108 20 0 GIADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccsc1Cl ZINC000189391375 823406910 /nfs/dbraw/zinc/40/69/10/823406910.db2.gz NOKXQCUMIIQAAC-HNNXBMFYSA-N 1 2 393.940 4.156 20 0 GIADLO Fc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccnc(OC(F)F)c3)no2)cc1 ZINC000410181647 823412944 /nfs/dbraw/zinc/41/29/44/823412944.db2.gz SUWQCSGQYTUJCB-HNNXBMFYSA-N 1 2 390.365 4.209 20 0 GIADLO Fc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccnc(OC(F)F)c3)no2)cc1 ZINC000410181647 823412948 /nfs/dbraw/zinc/41/29/48/823412948.db2.gz SUWQCSGQYTUJCB-HNNXBMFYSA-N 1 2 390.365 4.209 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccccc2OCC(F)(F)F)c1C ZINC000058616552 823417545 /nfs/dbraw/zinc/41/75/45/823417545.db2.gz WDFCUPPVVJRYFJ-UHFFFAOYSA-N 1 2 397.397 4.312 20 0 GIADLO Cc1nc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)ccc1-c1ccccc1 ZINC000572927218 823421503 /nfs/dbraw/zinc/42/15/03/823421503.db2.gz CPLUAWQZCGBLBD-UHFFFAOYSA-N 1 2 382.467 4.483 20 0 GIADLO CSc1ccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000572935541 823423535 /nfs/dbraw/zinc/42/35/35/823423535.db2.gz FKRSIOKECBQINY-UHFFFAOYSA-N 1 2 384.549 4.031 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(Cl)c2N(C)C)c1C ZINC000058628404 823419586 /nfs/dbraw/zinc/41/95/86/823419586.db2.gz NDIVLAZZOYGTET-UHFFFAOYSA-N 1 2 376.888 4.090 20 0 GIADLO Cn1ccnc1Sc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000410208944 823420516 /nfs/dbraw/zinc/42/05/16/823420516.db2.gz PCXPTAOKJOXGIC-UHFFFAOYSA-N 1 2 389.484 4.068 20 0 GIADLO CC1(O)CC[NH+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1 ZINC000177311929 823429228 /nfs/dbraw/zinc/42/92/28/823429228.db2.gz ROEBIRRGALIHQL-UHFFFAOYSA-N 1 2 390.936 4.277 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(Br)c(C3CC3)n2)c[nH+]1 ZINC000572955757 823426576 /nfs/dbraw/zinc/42/65/76/823426576.db2.gz WRZPVIYTZOBYDE-UHFFFAOYSA-N 1 2 375.270 4.055 20 0 GIADLO CCC[N@@H+](Cc1cnc2ccccn12)Cc1nnc(-c2ccccc2Cl)o1 ZINC000177326432 823434437 /nfs/dbraw/zinc/43/44/37/823434437.db2.gz ZSBMXGPFOJLJIR-UHFFFAOYSA-N 1 2 381.867 4.450 20 0 GIADLO CCC[N@H+](Cc1cnc2ccccn12)Cc1nnc(-c2ccccc2Cl)o1 ZINC000177326432 823434442 /nfs/dbraw/zinc/43/44/42/823434442.db2.gz ZSBMXGPFOJLJIR-UHFFFAOYSA-N 1 2 381.867 4.450 20 0 GIADLO CCCCOc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1OC ZINC000024746793 819872256 /nfs/dbraw/zinc/87/22/56/819872256.db2.gz WOIPAIFFKUCEIW-UHFFFAOYSA-N 1 2 393.487 4.049 20 0 GIADLO CS(=O)(=O)c1ccc(C[NH+]2CCC(c3ccnc4ccccc43)CC2)cc1 ZINC000573016685 823434325 /nfs/dbraw/zinc/43/43/25/823434325.db2.gz YWNMVAOYNLWZFI-UHFFFAOYSA-N 1 2 380.513 4.018 20 0 GIADLO Cc1cccc(CSCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410254251 823435393 /nfs/dbraw/zinc/43/53/93/823435393.db2.gz FVYUVWYYQUDJCN-IBGZPJMESA-N 1 2 383.561 4.167 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)C1 ZINC000024887515 819889546 /nfs/dbraw/zinc/88/95/46/819889546.db2.gz WVAWZEMZNKDWGB-OAHLLOKOSA-N 1 2 382.533 4.428 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)C1 ZINC000024887515 819889557 /nfs/dbraw/zinc/88/95/57/819889557.db2.gz WVAWZEMZNKDWGB-OAHLLOKOSA-N 1 2 382.533 4.428 20 0 GIADLO C[C@@H](CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Cc1cccc(F)c1 ZINC000410265662 823440423 /nfs/dbraw/zinc/44/04/23/823440423.db2.gz OAMGHPVIZWKFIU-IEBWSBKVSA-N 1 2 383.511 4.333 20 0 GIADLO O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410257734 823436922 /nfs/dbraw/zinc/43/69/22/823436922.db2.gz SASOPKIHQQGYOX-RTWAWAEBSA-N 1 2 393.531 4.133 20 0 GIADLO Cc1ccc(OCCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000410257890 823437085 /nfs/dbraw/zinc/43/70/85/823437085.db2.gz OTEKOPCSSKQJGJ-IBGZPJMESA-N 1 2 381.520 4.011 20 0 GIADLO CC[N@@H+](Cc1cc(-c2c(OC)ccc3ccccc32)no1)C[C@@H](O)C(F)(F)F ZINC000189526991 823437584 /nfs/dbraw/zinc/43/75/84/823437584.db2.gz QPEQMYOGRFKLFE-GOSISDBHSA-N 1 2 394.393 4.249 20 0 GIADLO CC[N@H+](Cc1cc(-c2c(OC)ccc3ccccc32)no1)C[C@@H](O)C(F)(F)F ZINC000189526991 823437591 /nfs/dbraw/zinc/43/75/91/823437591.db2.gz QPEQMYOGRFKLFE-GOSISDBHSA-N 1 2 394.393 4.249 20 0 GIADLO O=C(C1CCC(C(F)(F)F)CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410259509 823437828 /nfs/dbraw/zinc/43/78/28/823437828.db2.gz BBLRPHPWLYPCHF-PCKAHOCUSA-N 1 2 383.458 4.294 20 0 GIADLO Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000177335727 823438475 /nfs/dbraw/zinc/43/84/75/823438475.db2.gz MLEZBUGMYQGUAV-FQEVSTJZSA-N 1 2 390.487 4.023 20 0 GIADLO CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000122962955 823440627 /nfs/dbraw/zinc/44/06/27/823440627.db2.gz RZBRSQXHQVETLI-SFHVURJKSA-N 1 2 382.504 4.050 20 0 GIADLO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ncc(-c3ccccc3)o2)C2CC2)cc1 ZINC000025183695 819940084 /nfs/dbraw/zinc/94/00/84/819940084.db2.gz IXMGEUZUZYYGJR-UHFFFAOYSA-N 1 2 387.483 4.398 20 0 GIADLO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ncc(-c3ccccc3)o2)C2CC2)cc1 ZINC000025183695 819940091 /nfs/dbraw/zinc/94/00/91/819940091.db2.gz IXMGEUZUZYYGJR-UHFFFAOYSA-N 1 2 387.483 4.398 20 0 GIADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253104 819950446 /nfs/dbraw/zinc/95/04/46/819950446.db2.gz KPLZCQOZTKLCOI-NSHDSACASA-N 1 2 387.789 4.093 20 0 GIADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253104 819950450 /nfs/dbraw/zinc/95/04/50/819950450.db2.gz KPLZCQOZTKLCOI-NSHDSACASA-N 1 2 387.789 4.093 20 0 GIADLO O=C(Cn1ccc2ccc(Cl)cc21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410267891 823441636 /nfs/dbraw/zinc/44/16/36/823441636.db2.gz IHEGYOWDCPMFBG-QGZVFWFLSA-N 1 2 396.922 4.234 20 0 GIADLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410269506 823442613 /nfs/dbraw/zinc/44/26/13/823442613.db2.gz CJHHGPJBCKBLRA-AEFFLSMTSA-N 1 2 385.939 4.458 20 0 GIADLO CCCCN(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410269696 823442697 /nfs/dbraw/zinc/44/26/97/823442697.db2.gz WLVRCDPSTQMUNE-HXUWFJFHSA-N 1 2 394.563 4.476 20 0 GIADLO CCCC[N@H+](Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S)C1CC1 ZINC000025480309 819989822 /nfs/dbraw/zinc/98/98/22/819989822.db2.gz NSLNUPLBAZDLKH-UHFFFAOYSA-N 1 2 399.564 4.461 20 0 GIADLO CCCC[N@@H+](Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S)C1CC1 ZINC000025480309 819989828 /nfs/dbraw/zinc/98/98/28/819989828.db2.gz NSLNUPLBAZDLKH-UHFFFAOYSA-N 1 2 399.564 4.461 20 0 GIADLO COc1ccc(OC)c(C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1 ZINC000025498737 819992137 /nfs/dbraw/zinc/99/21/37/819992137.db2.gz FDGLRLPGNURDGS-HSZRJFAPSA-N 1 2 390.483 4.482 20 0 GIADLO O=C(c1cc(C(F)(F)F)ccc1F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410276311 823445095 /nfs/dbraw/zinc/44/50/95/823445095.db2.gz NXIBLLXXEQBTRL-CYBMUJFWSA-N 1 2 395.400 4.397 20 0 GIADLO Cc1ccc(SCCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410276388 823445140 /nfs/dbraw/zinc/44/51/40/823445140.db2.gz OVQXHHVYTVYLPP-GOSISDBHSA-N 1 2 383.561 4.416 20 0 GIADLO Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000025814933 820027838 /nfs/dbraw/zinc/02/78/38/820027838.db2.gz FQNYITOCDKFXGD-NRFANRHFSA-N 1 2 392.524 4.320 20 0 GIADLO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1)c1ccccc1 ZINC000025933034 820041698 /nfs/dbraw/zinc/04/16/98/820041698.db2.gz AHBZEUWDTKRUTK-UHFFFAOYSA-N 1 2 394.849 4.336 20 0 GIADLO C[C@H]1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000123049018 823453295 /nfs/dbraw/zinc/45/32/95/823453295.db2.gz CVBZEOWAOOMHDQ-XJKSGUPXSA-N 1 2 383.439 4.104 20 0 GIADLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Cl)cc1F ZINC000410286939 823449765 /nfs/dbraw/zinc/44/97/65/823449765.db2.gz CHEGGPCBOCUIFS-AWEZNQCLSA-N 1 2 375.875 4.340 20 0 GIADLO O=C(COc1cccc2ccccc21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410288969 823450798 /nfs/dbraw/zinc/45/07/98/823450798.db2.gz HZTBPFAGBVATOQ-LJQANCHMSA-N 1 2 389.499 4.158 20 0 GIADLO Cc1ccc(OCCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000410292646 823452130 /nfs/dbraw/zinc/45/21/30/823452130.db2.gz SUYCLMZZSFKXCS-LJQANCHMSA-N 1 2 381.520 4.011 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)ccc1OC(F)F ZINC000026454133 820100367 /nfs/dbraw/zinc/10/03/67/820100367.db2.gz WPLYDBNLBMIPSU-UHFFFAOYSA-N 1 2 398.837 4.411 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)ccc1OC(F)F ZINC000026454133 820100372 /nfs/dbraw/zinc/10/03/72/820100372.db2.gz WPLYDBNLBMIPSU-UHFFFAOYSA-N 1 2 398.837 4.411 20 0 GIADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000026480750 820102820 /nfs/dbraw/zinc/10/28/20/820102820.db2.gz KWSRJCQNNLHLGA-FQEVSTJZSA-N 1 2 381.472 4.396 20 0 GIADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000026480750 820102826 /nfs/dbraw/zinc/10/28/26/820102826.db2.gz KWSRJCQNNLHLGA-FQEVSTJZSA-N 1 2 381.472 4.396 20 0 GIADLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)[nH+]1 ZINC000026513339 820107195 /nfs/dbraw/zinc/10/71/95/820107195.db2.gz PGEDSIUWXSIERZ-OAHLLOKOSA-N 1 2 378.501 4.077 20 0 GIADLO CC(=O)Nc1cccc(Nc2nn(C[N@H+]3CCC[C@@H](C)C3)c(=S)s2)c1 ZINC000026551856 820112659 /nfs/dbraw/zinc/11/26/59/820112659.db2.gz VYYAMKJJTOJWBR-GFCCVEGCSA-N 1 2 377.539 4.065 20 0 GIADLO CC(=O)Nc1cccc(Nc2nn(C[N@@H+]3CCC[C@@H](C)C3)c(=S)s2)c1 ZINC000026551856 820112664 /nfs/dbraw/zinc/11/26/64/820112664.db2.gz VYYAMKJJTOJWBR-GFCCVEGCSA-N 1 2 377.539 4.065 20 0 GIADLO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000026619964 820123516 /nfs/dbraw/zinc/12/35/16/820123516.db2.gz YUSCIPMOKKTISM-UHFFFAOYSA-N 1 2 386.757 4.236 20 0 GIADLO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000026619964 820123524 /nfs/dbraw/zinc/12/35/24/820123524.db2.gz YUSCIPMOKKTISM-UHFFFAOYSA-N 1 2 386.757 4.236 20 0 GIADLO CCCCn1c2nn(C[N@H+](CC(C)C)C3CC3)c(=S)n2c2ccccc2c1=O ZINC000026625711 820124879 /nfs/dbraw/zinc/12/48/79/820124879.db2.gz YRUIBYGQXIETFZ-UHFFFAOYSA-N 1 2 399.564 4.058 20 0 GIADLO CCCCn1c2nn(C[N@@H+](CC(C)C)C3CC3)c(=S)n2c2ccccc2c1=O ZINC000026625711 820124886 /nfs/dbraw/zinc/12/48/86/820124886.db2.gz YRUIBYGQXIETFZ-UHFFFAOYSA-N 1 2 399.564 4.058 20 0 GIADLO O=C(CO[C@@H]1CCCc2ccccc21)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410301865 823456181 /nfs/dbraw/zinc/45/61/81/823456181.db2.gz BGPWUULVRYLRRO-SIKLNZKXSA-N 1 2 393.531 4.020 20 0 GIADLO O=C(NC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1)c1ccccc1 ZINC000123077260 823458240 /nfs/dbraw/zinc/45/82/40/823458240.db2.gz IPBTUOVXVPZFDF-UHFFFAOYSA-N 1 2 380.385 4.239 20 0 GIADLO O=C(NCc1ccc(-c2ccccc2)o1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058820174 823458805 /nfs/dbraw/zinc/45/88/05/823458805.db2.gz ZPOJZWNULXJNII-QFIPXVFZSA-N 1 2 392.524 4.353 20 0 GIADLO Cc1oc(-c2ccccc2)nc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410313609 823460407 /nfs/dbraw/zinc/46/04/07/823460407.db2.gz SYMNEYZFDDLEKB-UHFFFAOYSA-N 1 2 390.487 4.355 20 0 GIADLO CC[C@@H](NC(=O)C[N@H+](C)Cc1ccc(OC)c(F)c1)c1ccc(Cl)cc1 ZINC000027211904 820210268 /nfs/dbraw/zinc/21/02/68/820210268.db2.gz WQGMKGDRLZZCPZ-GOSISDBHSA-N 1 2 378.875 4.187 20 0 GIADLO CC[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(OC)c(F)c1)c1ccc(Cl)cc1 ZINC000027211904 820210279 /nfs/dbraw/zinc/21/02/79/820210279.db2.gz WQGMKGDRLZZCPZ-GOSISDBHSA-N 1 2 378.875 4.187 20 0 GIADLO Cc1cc(N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)nc(C(C)C)[nH+]1 ZINC000027545484 820258327 /nfs/dbraw/zinc/25/83/27/820258327.db2.gz BMVFLUQGQIKJBG-UHFFFAOYSA-N 1 2 395.482 4.025 20 0 GIADLO C[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1cn(C)c2ccccc12 ZINC000410330903 823465515 /nfs/dbraw/zinc/46/55/15/823465515.db2.gz YURJFQUVMCLABV-ZWKOTPCHSA-N 1 2 390.531 4.221 20 0 GIADLO COc1ccc(OC)c(C[N@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C2CC2)c1 ZINC000027603881 820266379 /nfs/dbraw/zinc/26/63/79/820266379.db2.gz QGRFRQVYIQIZQC-GOSISDBHSA-N 1 2 396.531 4.162 20 0 GIADLO COc1ccc(OC)c(C[N@@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C2CC2)c1 ZINC000027603881 820266385 /nfs/dbraw/zinc/26/63/85/820266385.db2.gz QGRFRQVYIQIZQC-GOSISDBHSA-N 1 2 396.531 4.162 20 0 GIADLO CCc1cnc(CNc2[nH+]c3ccccc3n2Cc2cccc(OC)c2)s1 ZINC000460655850 823468523 /nfs/dbraw/zinc/46/85/23/823468523.db2.gz KZRPNTJOTZGCGI-UHFFFAOYSA-N 1 2 378.501 4.146 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C[C@H]1n1cc[nH+]c1 ZINC000123140281 823468915 /nfs/dbraw/zinc/46/89/15/823468915.db2.gz WZGRHOZIHKZWAH-VGOFRKELSA-N 1 2 393.462 4.325 20 0 GIADLO CN(C(=O)C[N@@H+]1CCc2sccc2C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000028175125 820315825 /nfs/dbraw/zinc/31/58/25/820315825.db2.gz DCLBMVCNGJEYMG-HSZRJFAPSA-N 1 2 394.515 4.493 20 0 GIADLO CN(C(=O)C[N@H+]1CCc2sccc2C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000028175125 820315832 /nfs/dbraw/zinc/31/58/32/820315832.db2.gz DCLBMVCNGJEYMG-HSZRJFAPSA-N 1 2 394.515 4.493 20 0 GIADLO O=C(CCN1c2ccccc2Sc2ccccc21)NCCCn1cc[nH+]c1 ZINC000028201824 820318603 /nfs/dbraw/zinc/31/86/03/820318603.db2.gz ZXTZLCCLXJFUCG-UHFFFAOYSA-N 1 2 378.501 4.082 20 0 GIADLO O=C(Nc1cccc(-n2cccc2)c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000573239525 823469492 /nfs/dbraw/zinc/46/94/92/823469492.db2.gz RJMMDSUBEBZBOT-UHFFFAOYSA-N 1 2 377.492 4.398 20 0 GIADLO CC(C)c1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)c1 ZINC000028877858 820366035 /nfs/dbraw/zinc/36/60/35/820366035.db2.gz LKGPSSYBGPSIEN-UHFFFAOYSA-N 1 2 395.484 4.258 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)n2)C1 ZINC000028931321 820375584 /nfs/dbraw/zinc/37/55/84/820375584.db2.gz ZNUWDVFOOAJGGN-CYBMUJFWSA-N 1 2 399.495 4.157 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)n2)C1 ZINC000028931321 820375594 /nfs/dbraw/zinc/37/55/94/820375594.db2.gz ZNUWDVFOOAJGGN-CYBMUJFWSA-N 1 2 399.495 4.157 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000573294956 823477436 /nfs/dbraw/zinc/47/74/36/823477436.db2.gz YOZDHMOTCRBKFH-UHFFFAOYSA-N 1 2 380.410 4.488 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000573294956 823477439 /nfs/dbraw/zinc/47/74/39/823477439.db2.gz YOZDHMOTCRBKFH-UHFFFAOYSA-N 1 2 380.410 4.488 20 0 GIADLO CCOc1c(Cl)cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1OC ZINC000058957567 823476086 /nfs/dbraw/zinc/47/60/86/823476086.db2.gz KSHKHIFFSQCVMI-UHFFFAOYSA-N 1 2 392.883 4.040 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2csc(-c3ccccc3F)n2)c1C ZINC000058958969 823476389 /nfs/dbraw/zinc/47/63/89/823476389.db2.gz HHIOLIMPZNIBBU-UHFFFAOYSA-N 1 2 385.464 4.242 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2coc3cc4c(cc23)CCC4)c1C ZINC000058958530 823476434 /nfs/dbraw/zinc/47/64/34/823476434.db2.gz WBHUODJKDRKVOL-UHFFFAOYSA-N 1 2 378.472 4.143 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCCc3nc4ccccc4[nH]3)n2)C1 ZINC000029258142 820421156 /nfs/dbraw/zinc/42/11/56/820421156.db2.gz SEJVLVVROZMRIL-OAHLLOKOSA-N 1 2 397.548 4.213 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCc3nc4ccccc4[nH]3)n2)C1 ZINC000029258142 820421163 /nfs/dbraw/zinc/42/11/63/820421163.db2.gz SEJVLVVROZMRIL-OAHLLOKOSA-N 1 2 397.548 4.213 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH+]2CCC(COc3ccccc3)CC2)o1 ZINC000177510474 823479594 /nfs/dbraw/zinc/47/95/94/823479594.db2.gz MFSGGNQPXWUEHI-UHFFFAOYSA-N 1 2 377.488 4.260 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189713411 823480808 /nfs/dbraw/zinc/48/08/08/823480808.db2.gz RTALKOKQSLGSAH-DHIUTWEWSA-N 1 2 388.515 4.142 20 0 GIADLO CC[C@@H](C)c1ccccc1OCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000029648922 820493229 /nfs/dbraw/zinc/49/32/29/820493229.db2.gz UFDBKLRJXSPOEM-LJQANCHMSA-N 1 2 391.515 4.183 20 0 GIADLO CC(C)n1nccc1C[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000410386560 823482974 /nfs/dbraw/zinc/48/29/74/823482974.db2.gz ZSIZJFQHIXYQGM-INIZCTEOSA-N 1 2 391.357 4.105 20 0 GIADLO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029668418 820495635 /nfs/dbraw/zinc/49/56/35/820495635.db2.gz QMWAPVRFGCDCPF-GOSISDBHSA-N 1 2 391.515 4.313 20 0 GIADLO CC(C)c1c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cnn1-c1ccccc1 ZINC000029669884 820495714 /nfs/dbraw/zinc/49/57/14/820495714.db2.gz DOIZJWXXNDNQEY-UHFFFAOYSA-N 1 2 399.498 4.171 20 0 GIADLO Cc1nc(-c2ccccc2)ccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029668877 820495834 /nfs/dbraw/zinc/49/58/34/820495834.db2.gz WIYFXJCXUPGFMU-UHFFFAOYSA-N 1 2 382.467 4.232 20 0 GIADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827414 820526875 /nfs/dbraw/zinc/52/68/75/820526875.db2.gz TXTNOBCIOVXPCW-UONOGXRCSA-N 1 2 385.414 4.313 20 0 GIADLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827414 820526883 /nfs/dbraw/zinc/52/68/83/820526883.db2.gz TXTNOBCIOVXPCW-UONOGXRCSA-N 1 2 385.414 4.313 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000029907952 820545477 /nfs/dbraw/zinc/54/54/77/820545477.db2.gz NBZJHUUJVZSTHU-UHFFFAOYSA-N 1 2 389.455 4.094 20 0 GIADLO COc1ccccc1NC(=O)C1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000029911521 820546607 /nfs/dbraw/zinc/54/66/07/820546607.db2.gz SLAWMNGXFAFWST-UHFFFAOYSA-N 1 2 387.549 4.300 20 0 GIADLO CC(C)(C)[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000059269268 823488448 /nfs/dbraw/zinc/48/84/48/823488448.db2.gz LHECDHPHTZWYSE-QFIPXVFZSA-N 1 2 395.547 4.105 20 0 GIADLO Cc1nc(-c2cccs2)sc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000030030283 820571533 /nfs/dbraw/zinc/57/15/33/820571533.db2.gz BEALVQLBOBEGKK-INIZCTEOSA-N 1 2 383.542 4.309 20 0 GIADLO Cc1nc(-c2cccs2)sc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000030030283 820571541 /nfs/dbraw/zinc/57/15/41/820571541.db2.gz BEALVQLBOBEGKK-INIZCTEOSA-N 1 2 383.542 4.309 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189784185 823493709 /nfs/dbraw/zinc/49/37/09/823493709.db2.gz PLVIOMFKWADAIM-FUHWJXTLSA-N 1 2 379.838 4.494 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189784185 823493713 /nfs/dbraw/zinc/49/37/13/823493713.db2.gz PLVIOMFKWADAIM-FUHWJXTLSA-N 1 2 379.838 4.494 20 0 GIADLO COc1ccc(NC(=O)C[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cc1OC ZINC000030151058 820579770 /nfs/dbraw/zinc/57/97/70/820579770.db2.gz WTMZGYKUQVSAFT-KBXCAEBGSA-N 1 2 384.476 4.023 20 0 GIADLO COc1ccc(NC(=O)C[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cc1OC ZINC000030151058 820579776 /nfs/dbraw/zinc/57/97/76/820579776.db2.gz WTMZGYKUQVSAFT-KBXCAEBGSA-N 1 2 384.476 4.023 20 0 GIADLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030216814 820588204 /nfs/dbraw/zinc/58/82/04/820588204.db2.gz BSVIUBAESQRGOI-COPCDDAFSA-N 1 2 383.536 4.025 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(c1ccccc1)c1ccccc1 ZINC000030221099 820589004 /nfs/dbraw/zinc/58/90/04/820589004.db2.gz IINRFETXEJHNNS-UHFFFAOYSA-N 1 2 381.479 4.380 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000460710286 823490494 /nfs/dbraw/zinc/49/04/94/823490494.db2.gz RTRSQNSSCXOJNW-OAHLLOKOSA-N 1 2 379.426 4.309 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc3c(c2)CCCC3)C[C@@H](C)O1 ZINC000059308587 823491120 /nfs/dbraw/zinc/49/11/20/823491120.db2.gz NXDGVMSVEOFUFE-RTBURBONSA-N 1 2 392.543 4.356 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc(-n3cccc3)c2)C[C@H](C)O1 ZINC000059308646 823491221 /nfs/dbraw/zinc/49/12/21/823491221.db2.gz ZFINXEMEDFZSAA-KDURUIRLSA-N 1 2 389.499 4.339 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc(-n3cccc3)c2)C[C@H](C)O1 ZINC000059308646 823491225 /nfs/dbraw/zinc/49/12/25/823491225.db2.gz ZFINXEMEDFZSAA-KDURUIRLSA-N 1 2 389.499 4.339 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(-c2ccc(F)cc2)o1 ZINC000030584720 820646005 /nfs/dbraw/zinc/64/60/05/820646005.db2.gz JFYMANHEKWPSJZ-UHFFFAOYSA-N 1 2 375.403 4.261 20 0 GIADLO FC(F)(F)c1cccc(Oc2cccc(C[NH2+]Cc3nnc4n3CCC4)c2)c1 ZINC000030653166 820659148 /nfs/dbraw/zinc/65/91/48/820659148.db2.gz KTBOMMPUGZYRIF-UHFFFAOYSA-N 1 2 388.393 4.325 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000410496895 823499714 /nfs/dbraw/zinc/49/97/14/823499714.db2.gz HLRMYMXZMXIMFJ-YADHBBJMSA-N 1 2 378.516 4.350 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000189839845 823504470 /nfs/dbraw/zinc/50/44/70/823504470.db2.gz UICXJSKTUQKYJI-HUUCEWRRSA-N 1 2 397.502 4.223 20 0 GIADLO CSc1ccc(Cl)c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000060046505 823505613 /nfs/dbraw/zinc/50/56/13/823505613.db2.gz ZKUUZPCCOZXVKV-UHFFFAOYSA-N 1 2 375.856 4.317 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1(c2ccc(F)cc2)CCCC1 ZINC000060046478 823505635 /nfs/dbraw/zinc/50/56/35/823505635.db2.gz JCIDLCYHPFJXQC-UHFFFAOYSA-N 1 2 381.426 4.279 20 0 GIADLO C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000031215229 820772106 /nfs/dbraw/zinc/77/21/06/820772106.db2.gz ROISWFVXCDSOPN-QGZVFWFLSA-N 1 2 394.906 4.045 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000059919304 823502752 /nfs/dbraw/zinc/50/27/52/823502752.db2.gz YPYCOZUEFNWWTF-UHFFFAOYSA-N 1 2 381.798 4.307 20 0 GIADLO CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000060046786 823506015 /nfs/dbraw/zinc/50/60/15/823506015.db2.gz VSBYJUAJFDTCQY-UHFFFAOYSA-N 1 2 381.451 4.004 20 0 GIADLO C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@@H](C)[C@H](n5cc[nH+]c5)C4)cc3c2C1 ZINC000123427934 823508222 /nfs/dbraw/zinc/50/82/22/823508222.db2.gz XQHVTQLRYONMLR-XCGNWRKASA-N 1 2 376.504 4.213 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OCc1cscn1 ZINC000123435412 823508831 /nfs/dbraw/zinc/50/88/31/823508831.db2.gz VFHGPEIDKMBISR-UHFFFAOYSA-N 1 2 376.441 4.160 20 0 GIADLO COCc1ccccc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031890048 820870381 /nfs/dbraw/zinc/87/03/81/820870381.db2.gz AZKPZWOCOPHTJW-LJQANCHMSA-N 1 2 390.886 4.192 20 0 GIADLO C[C@H]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000123462142 823511400 /nfs/dbraw/zinc/51/14/00/823511400.db2.gz JYEWLTWJCINTQS-BBRMVZONSA-N 1 2 386.908 4.383 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000177728278 823517662 /nfs/dbraw/zinc/51/76/62/823517662.db2.gz ASBOHZYRNJVZPV-SXBQZSJRSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000177728278 823517665 /nfs/dbraw/zinc/51/76/65/823517665.db2.gz ASBOHZYRNJVZPV-SXBQZSJRSA-N 1 2 378.925 4.017 20 0 GIADLO COc1ccccc1Nc1nn(C[N@@H+]2CCSCC[C@@H]2C)c(=S)s1 ZINC000189918773 823513834 /nfs/dbraw/zinc/51/38/34/823513834.db2.gz HBURNYPPLGVACW-LBPRGKRZSA-N 1 2 382.580 4.211 20 0 GIADLO COc1ccccc1Nc1nn(C[N@H+]2CCSCC[C@@H]2C)c(=S)s1 ZINC000189918773 823513838 /nfs/dbraw/zinc/51/38/38/823513838.db2.gz HBURNYPPLGVACW-LBPRGKRZSA-N 1 2 382.580 4.211 20 0 GIADLO O=C(NC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1)c1ccsc1 ZINC000177691356 823513977 /nfs/dbraw/zinc/51/39/77/823513977.db2.gz GNOITRDTTNRBHW-UHFFFAOYSA-N 1 2 397.313 4.044 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000177732017 823518089 /nfs/dbraw/zinc/51/80/89/823518089.db2.gz KYTSRYRSXKXTHB-YDBLSZJJSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000177732017 823518092 /nfs/dbraw/zinc/51/80/92/823518092.db2.gz KYTSRYRSXKXTHB-YDBLSZJJSA-N 1 2 399.343 4.362 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(Cl)c1 ZINC000177727303 823517532 /nfs/dbraw/zinc/51/75/32/823517532.db2.gz NSBUEUFWGBSLEG-SXBQZSJRSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(Cl)c1 ZINC000177727303 823517533 /nfs/dbraw/zinc/51/75/33/823517533.db2.gz NSBUEUFWGBSLEG-SXBQZSJRSA-N 1 2 378.925 4.017 20 0 GIADLO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C ZINC000177735778 823518541 /nfs/dbraw/zinc/51/85/41/823518541.db2.gz JXJLADYGVVDTBN-ZWKOTPCHSA-N 1 2 379.570 4.074 20 0 GIADLO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C ZINC000177735778 823518544 /nfs/dbraw/zinc/51/85/44/823518544.db2.gz JXJLADYGVVDTBN-ZWKOTPCHSA-N 1 2 379.570 4.074 20 0 GIADLO COc1cccc(CNC(=O)[C@@H](C)[NH+]2Cc3ccccc3-c3ccccc3C2)c1 ZINC000060361282 823519633 /nfs/dbraw/zinc/51/96/33/823519633.db2.gz ZBGQNDCYWDGGEZ-GOSISDBHSA-N 1 2 386.495 4.383 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000177754765 823520985 /nfs/dbraw/zinc/52/09/85/823520985.db2.gz OSLYYPDOQVARCV-UHFFFAOYSA-N 1 2 391.450 4.044 20 0 GIADLO Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177763683 823522404 /nfs/dbraw/zinc/52/24/04/823522404.db2.gz DJKMIMCCFKJXRB-UHFFFAOYSA-N 1 2 387.487 4.213 20 0 GIADLO C[NH+](C)[C@@H](CNC(=O)c1ccccc1C(=O)c1cccs1)c1ccsc1 ZINC000033047445 821028091 /nfs/dbraw/zinc/02/80/91/821028091.db2.gz SFXNTAMCABEJBR-KRWDZBQOSA-N 1 2 384.526 4.073 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Cc1ccccc1F ZINC000060442445 823528400 /nfs/dbraw/zinc/52/84/00/823528400.db2.gz WRKKOQXNHPABJA-UHFFFAOYSA-N 1 2 395.478 4.083 20 0 GIADLO Cc1ccc(OCC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000036099825 821068927 /nfs/dbraw/zinc/06/89/27/821068927.db2.gz HHBNYGFPPOQJPP-IBGZPJMESA-N 1 2 390.886 4.120 20 0 GIADLO COc1ccc2oc(C(=O)N3CC[NH+](Cc4cccc(C)c4)CC3)c(C)c2c1 ZINC000038377431 821095658 /nfs/dbraw/zinc/09/56/58/821095658.db2.gz BZRPNSGQNRFIMK-UHFFFAOYSA-N 1 2 378.472 4.016 20 0 GIADLO O=C(C[N@@H+]1CCc2ccccc2C1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000038415292 821095806 /nfs/dbraw/zinc/09/58/06/821095806.db2.gz IMFYGZIPXVUFQZ-JOCHJYFZSA-N 1 2 380.488 4.151 20 0 GIADLO O=C(C[N@H+]1CCc2ccccc2C1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000038415292 821095815 /nfs/dbraw/zinc/09/58/15/821095815.db2.gz IMFYGZIPXVUFQZ-JOCHJYFZSA-N 1 2 380.488 4.151 20 0 GIADLO CSc1ccccc1NC(=O)C[N@H+](C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000060464065 823531074 /nfs/dbraw/zinc/53/10/74/823531074.db2.gz XIMZYRYVWNJMKO-INIZCTEOSA-N 1 2 398.450 4.031 20 0 GIADLO CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000060464065 823531076 /nfs/dbraw/zinc/53/10/76/823531076.db2.gz XIMZYRYVWNJMKO-INIZCTEOSA-N 1 2 398.450 4.031 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)CC2)c1 ZINC000460872476 823533571 /nfs/dbraw/zinc/53/35/71/823533571.db2.gz ACFWIDZOTDELAX-IRXDYDNUSA-N 1 2 386.923 4.358 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000123744924 823536806 /nfs/dbraw/zinc/53/68/06/823536806.db2.gz FXKJIQKLCGAIHA-XZOQPEGZSA-N 1 2 388.515 4.142 20 0 GIADLO S=c1[nH]c(-c2cc(Cl)ccc2Cl)nn1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000123792849 823541290 /nfs/dbraw/zinc/54/12/90/823541290.db2.gz FSISBGUFORJLIF-NSHDSACASA-N 1 2 399.347 4.373 20 0 GIADLO S=c1[nH]c(-c2cc(Cl)ccc2Cl)nn1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000123792849 823541293 /nfs/dbraw/zinc/54/12/93/823541293.db2.gz FSISBGUFORJLIF-NSHDSACASA-N 1 2 399.347 4.373 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000042861475 821339765 /nfs/dbraw/zinc/33/97/65/821339765.db2.gz GOFUCEFMSHLVOW-IYBDPMFKSA-N 1 2 387.911 4.271 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000042861475 821339776 /nfs/dbraw/zinc/33/97/76/821339776.db2.gz GOFUCEFMSHLVOW-IYBDPMFKSA-N 1 2 387.911 4.271 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000042575230 821312827 /nfs/dbraw/zinc/31/28/27/821312827.db2.gz DJIIRAXPOCVPFV-GOSISDBHSA-N 1 2 394.515 4.234 20 0 GIADLO FC(F)(F)c1cccc(NC(=S)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000042625062 821315579 /nfs/dbraw/zinc/31/55/79/821315579.db2.gz PCIPLZCZWQAXEF-UHFFFAOYSA-N 1 2 380.439 4.187 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000043133975 821365324 /nfs/dbraw/zinc/36/53/24/821365324.db2.gz BDHWWJAXKBXMQX-UHFFFAOYSA-N 1 2 399.292 4.058 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)c1nc(Cc2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000180647200 821380994 /nfs/dbraw/zinc/38/09/94/821380994.db2.gz KUFSTJAJBIWHBR-YJBOKZPZSA-N 1 2 379.460 4.234 20 0 GIADLO CC(C)(C)C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)F ZINC000180672121 821390493 /nfs/dbraw/zinc/39/04/93/821390493.db2.gz PZPZPTUCGRWUIS-MRXNPFEDSA-N 1 2 382.430 4.098 20 0 GIADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(Br)c1 ZINC000043328543 821393036 /nfs/dbraw/zinc/39/30/36/821393036.db2.gz LVDSYYXLHYIJPE-UHFFFAOYSA-N 1 2 394.338 4.169 20 0 GIADLO CCCOc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1OCCC ZINC000043416016 821404648 /nfs/dbraw/zinc/40/46/48/821404648.db2.gz NKEOPIFOBUGOQO-UHFFFAOYSA-N 1 2 398.507 4.013 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000043449024 821407773 /nfs/dbraw/zinc/40/77/73/821407773.db2.gz KJLOCJKFKBRDFH-UHFFFAOYSA-N 1 2 389.297 4.074 20 0 GIADLO CN(CCCOc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043500001 821419426 /nfs/dbraw/zinc/41/94/26/821419426.db2.gz YMBMVBQGXYJDQE-UHFFFAOYSA-N 1 2 388.537 4.062 20 0 GIADLO C[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(F)cc1F ZINC000043517602 821421213 /nfs/dbraw/zinc/42/12/13/821421213.db2.gz KQUJYURTHWTKPX-LBPRGKRZSA-N 1 2 380.464 4.290 20 0 GIADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000043646425 821435812 /nfs/dbraw/zinc/43/58/12/821435812.db2.gz JMNNQETUUPLOFN-ZDUSSCGKSA-N 1 2 398.450 4.052 20 0 GIADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000043646425 821435817 /nfs/dbraw/zinc/43/58/17/821435817.db2.gz JMNNQETUUPLOFN-ZDUSSCGKSA-N 1 2 398.450 4.052 20 0 GIADLO Cc1cccc(Cc2cnc(NC(=O)C[N@@H+](C)[C@@H](C)c3cccnc3)s2)c1 ZINC000180792829 821461507 /nfs/dbraw/zinc/46/15/07/821461507.db2.gz GQNKKNCVEIFNPV-INIZCTEOSA-N 1 2 380.517 4.069 20 0 GIADLO Cc1cccc(Cc2cnc(NC(=O)C[N@H+](C)[C@@H](C)c3cccnc3)s2)c1 ZINC000180792829 821461511 /nfs/dbraw/zinc/46/15/11/821461511.db2.gz GQNKKNCVEIFNPV-INIZCTEOSA-N 1 2 380.517 4.069 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)C1(c2ccc(F)cc2)CCCC1 ZINC000043805498 821461496 /nfs/dbraw/zinc/46/14/96/821461496.db2.gz ILQLNIBKZACSBZ-UHFFFAOYSA-N 1 2 391.490 4.241 20 0 GIADLO Cc1noc([C@H](C)Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)n1 ZINC000043835162 821468442 /nfs/dbraw/zinc/46/84/42/821468442.db2.gz RLQORARCDFQNNC-QWRGUYRKSA-N 1 2 392.916 4.088 20 0 GIADLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(-c4nc5ccccc5s4)o3)[C@@H]2C1 ZINC000180811214 821473041 /nfs/dbraw/zinc/47/30/41/821473041.db2.gz XSJNNIVBUBGBMG-ZTFGCOKTSA-N 1 2 384.501 4.325 20 0 GIADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)[C@@H]2C1 ZINC000180811214 821473046 /nfs/dbraw/zinc/47/30/46/821473046.db2.gz XSJNNIVBUBGBMG-ZTFGCOKTSA-N 1 2 384.501 4.325 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000043888259 821484479 /nfs/dbraw/zinc/48/44/79/821484479.db2.gz JEKYHKHSTYMTNA-IBGZPJMESA-N 1 2 384.480 4.173 20 0 GIADLO CCCc1cnc(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000180851473 821495445 /nfs/dbraw/zinc/49/54/45/821495445.db2.gz JCVKWDSZKSNQIH-UHFFFAOYSA-N 1 2 387.553 4.261 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cc(=O)c2ccccc2o1 ZINC000044567608 821609764 /nfs/dbraw/zinc/60/97/64/821609764.db2.gz CHTGRVMZPPECOI-UHFFFAOYSA-N 1 2 385.423 4.245 20 0 GIADLO COCCN(C(C)=O)c1nc(C[NH2+][C@H](c2cccc(F)c2)C(C)(C)C)cs1 ZINC000181063601 821615144 /nfs/dbraw/zinc/61/51/44/821615144.db2.gz OYZJSDDGOXWYFM-GOSISDBHSA-N 1 2 393.528 4.159 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)C2CC2)c(Br)c1 ZINC000044898046 821677683 /nfs/dbraw/zinc/67/76/83/821677683.db2.gz ZWIZFVCCLLRAOR-UHFFFAOYSA-N 1 2 379.323 4.422 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C2CC2)c(Br)c1 ZINC000044898046 821677687 /nfs/dbraw/zinc/67/76/87/821677687.db2.gz ZWIZFVCCLLRAOR-UHFFFAOYSA-N 1 2 379.323 4.422 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc(OC)c(OC)c3)n2)cc1 ZINC000045004344 821689003 /nfs/dbraw/zinc/68/90/03/821689003.db2.gz QQCWCCVUSDSSHS-SFHVURJKSA-N 1 2 395.459 4.100 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc(OC)c(OC)c3)n2)cc1 ZINC000045004344 821689007 /nfs/dbraw/zinc/68/90/07/821689007.db2.gz QQCWCCVUSDSSHS-SFHVURJKSA-N 1 2 395.459 4.100 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)c1ccc(F)cc1 ZINC000181276669 821729025 /nfs/dbraw/zinc/72/90/25/821729025.db2.gz NPLLWPVUTNXGIY-NSHDSACASA-N 1 2 375.245 4.224 20 0 GIADLO Cc1ccccc1-c1noc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)n1 ZINC000181279417 821731630 /nfs/dbraw/zinc/73/16/30/821731630.db2.gz FDDKKEFAKCCHKO-HOTGVXAUSA-N 1 2 392.459 4.413 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1nc(-c2ccccc2)no1 ZINC000181298395 821742893 /nfs/dbraw/zinc/74/28/93/821742893.db2.gz NASPMXXHLFLKLH-HUUCEWRRSA-N 1 2 378.432 4.105 20 0 GIADLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1cccc(N2CCOC2=O)c1 ZINC000181308910 821747912 /nfs/dbraw/zinc/74/79/12/821747912.db2.gz FPLIUXDHEVLOMP-CQSZACIVSA-N 1 2 381.407 4.288 20 0 GIADLO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181310196 821748944 /nfs/dbraw/zinc/74/89/44/821748944.db2.gz YZTZVFMRZUVONP-HOCLYGCPSA-N 1 2 398.536 4.048 20 0 GIADLO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181310196 821748953 /nfs/dbraw/zinc/74/89/53/821748953.db2.gz YZTZVFMRZUVONP-HOCLYGCPSA-N 1 2 398.536 4.048 20 0 GIADLO O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181314719 821753419 /nfs/dbraw/zinc/75/34/19/821753419.db2.gz HFGLHOXTBFFQFC-FQEVSTJZSA-N 1 2 386.927 4.089 20 0 GIADLO O[C@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181314737 821753517 /nfs/dbraw/zinc/75/35/17/821753517.db2.gz HFGLHOXTBFFQFC-HXUWFJFHSA-N 1 2 386.927 4.089 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1cccc(N2CCOC2=O)c1 ZINC000181315847 821754261 /nfs/dbraw/zinc/75/42/61/821754261.db2.gz HEKHDVUFRFOCBT-ZDUSSCGKSA-N 1 2 398.850 4.197 20 0 GIADLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181370899 821792234 /nfs/dbraw/zinc/79/22/34/821792234.db2.gz GMBSMSYIMMCOIB-IRXDYDNUSA-N 1 2 396.293 4.481 20 0 GIADLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181370899 821792238 /nfs/dbraw/zinc/79/22/38/821792238.db2.gz GMBSMSYIMMCOIB-IRXDYDNUSA-N 1 2 396.293 4.481 20 0 GIADLO COc1ccc(-c2cnc(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)o2)cc1 ZINC000181402260 821807948 /nfs/dbraw/zinc/80/79/48/821807948.db2.gz QSEOPFZMGFICDG-INIZCTEOSA-N 1 2 391.471 4.328 20 0 GIADLO Cc1ccc(CC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C[C@@H]2CCCO2)cc1 ZINC000181402148 821808243 /nfs/dbraw/zinc/80/82/43/821808243.db2.gz SNUJEPNCNJDLRR-NRFANRHFSA-N 1 2 380.536 4.023 20 0 GIADLO Cc1ccc(CC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C[C@@H]2CCCO2)cc1 ZINC000181402148 821808252 /nfs/dbraw/zinc/80/82/52/821808252.db2.gz SNUJEPNCNJDLRR-NRFANRHFSA-N 1 2 380.536 4.023 20 0 GIADLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1cccc(N2CCCC2=O)c1 ZINC000181411297 821811480 /nfs/dbraw/zinc/81/14/80/821811480.db2.gz MNJUDYXUMDOGKY-HNNXBMFYSA-N 1 2 379.435 4.458 20 0 GIADLO COc1ccc(OC)c(C[N@H+](Cc2nc(N)c3ccccc3n2)C(C)(C)C)c1 ZINC000181428029 821821605 /nfs/dbraw/zinc/82/16/05/821821605.db2.gz IBXPOKSBZCVXMB-UHFFFAOYSA-N 1 2 380.492 4.030 20 0 GIADLO COc1ccc(OC)c(C[N@@H+](Cc2nc(N)c3ccccc3n2)C(C)(C)C)c1 ZINC000181428029 821821612 /nfs/dbraw/zinc/82/16/12/821821612.db2.gz IBXPOKSBZCVXMB-UHFFFAOYSA-N 1 2 380.492 4.030 20 0 GIADLO Cn1c(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)nnc1C1CCC1 ZINC000181442787 821828563 /nfs/dbraw/zinc/82/85/63/821828563.db2.gz UPTOPLUYLDEKSG-UHFFFAOYSA-N 1 2 385.899 4.257 20 0 GIADLO Cc1c([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)nnn1-c1ccc(Cl)cc1 ZINC000181460074 821836390 /nfs/dbraw/zinc/83/63/90/821836390.db2.gz IHUJDFHKYMCKBP-CQSZACIVSA-N 1 2 398.894 4.241 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000181500361 821855669 /nfs/dbraw/zinc/85/56/69/821855669.db2.gz MIOHGBXEJAHUCD-NRFANRHFSA-N 1 2 379.483 4.439 20 0 GIADLO COc1ccc(NC(=O)[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)c2ccccc2)cc1 ZINC000181552017 821877874 /nfs/dbraw/zinc/87/78/74/821877874.db2.gz YNGVUAKAGFMOIC-AOMKIAJQSA-N 1 2 376.456 4.431 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2cc(Br)cs2)no1)c1cccc(O)c1 ZINC000181577858 821886404 /nfs/dbraw/zinc/88/64/04/821886404.db2.gz NBXGCVHYNZDUAA-VIFPVBQESA-N 1 2 380.267 4.117 20 0 GIADLO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nnnn1-c1c(C)cccc1C ZINC000181716552 821958292 /nfs/dbraw/zinc/95/82/92/821958292.db2.gz JYXRBNVEWQDJKK-LJQANCHMSA-N 1 2 379.508 4.165 20 0 GIADLO CC(C)CO[C@H](C)c1noc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000181980774 822051818 /nfs/dbraw/zinc/05/18/18/822051818.db2.gz PPTDTEVJGUEVGJ-FOIQADDNSA-N 1 2 389.496 4.061 20 0 GIADLO COCc1noc([C@@H](C)[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000181981063 822052174 /nfs/dbraw/zinc/05/21/74/822052174.db2.gz RHPIEBVZWVDACM-YPMHNXCESA-N 1 2 386.279 4.127 20 0 GIADLO COCc1noc([C@@H](C)[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000181981063 822052184 /nfs/dbraw/zinc/05/21/84/822052184.db2.gz RHPIEBVZWVDACM-YPMHNXCESA-N 1 2 386.279 4.127 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1cccc(F)c1F ZINC000181983778 822053263 /nfs/dbraw/zinc/05/32/63/822053263.db2.gz WYBPFMHZRYUQGE-CXAGYDPISA-N 1 2 399.397 4.179 20 0 GIADLO C[C@@](O)(CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccccc1 ZINC000182048909 822073254 /nfs/dbraw/zinc/07/32/54/822073254.db2.gz YIAONIOWNNRJES-HSZRJFAPSA-N 1 2 375.472 4.123 20 0 GIADLO COc1ccccc1C[NH+]1CCN(C(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000182055719 822076566 /nfs/dbraw/zinc/07/65/66/822076566.db2.gz BLEAKQXBOCJUJC-UHFFFAOYSA-N 1 2 398.469 4.098 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000182239026 822162242 /nfs/dbraw/zinc/16/22/42/822162242.db2.gz VMXPECIGTBFTPP-HXUWFJFHSA-N 1 2 379.548 4.334 20 0 GIADLO COc1cc(OC)cc([C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)c2nccn2C)c1 ZINC000182302336 822194016 /nfs/dbraw/zinc/19/40/16/822194016.db2.gz YSWRPZZEVVRFGI-YADHBBJMSA-N 1 2 395.478 4.333 20 0 GIADLO COc1ccc([C@H](CCO)[NH2+]Cc2nc3cc(C(F)(F)F)ccc3o2)cc1 ZINC000182414457 822234813 /nfs/dbraw/zinc/23/48/13/822234813.db2.gz CBFIBGMFQKTWBD-HNNXBMFYSA-N 1 2 380.366 4.069 20 0 GIADLO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182486737 822261879 /nfs/dbraw/zinc/26/18/79/822261879.db2.gz WTTGGVWKTZSXDW-RDJZCZTQSA-N 1 2 378.501 4.168 20 0 GIADLO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182486737 822261889 /nfs/dbraw/zinc/26/18/89/822261889.db2.gz WTTGGVWKTZSXDW-RDJZCZTQSA-N 1 2 378.501 4.168 20 0 GIADLO CCC[N@@H+](Cc1nnc(Cc2ccccc2C)o1)C[C@@H]1COc2ccccc2O1 ZINC000178060239 822304900 /nfs/dbraw/zinc/30/49/00/822304900.db2.gz OUYHHMWREDVACX-LJQANCHMSA-N 1 2 393.487 4.021 20 0 GIADLO CCC[N@H+](Cc1nnc(Cc2ccccc2C)o1)C[C@@H]1COc2ccccc2O1 ZINC000178060239 822304910 /nfs/dbraw/zinc/30/49/10/822304910.db2.gz OUYHHMWREDVACX-LJQANCHMSA-N 1 2 393.487 4.021 20 0 GIADLO O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000178063277 822306330 /nfs/dbraw/zinc/30/63/30/822306330.db2.gz RLBVLJZTWAKHIP-UHFFFAOYSA-N 1 2 383.451 4.281 20 0 GIADLO Cc1csc(C(C)(C)[NH2+]Cc2cc3c(cc2Br)OCCCO3)n1 ZINC000182666474 822344410 /nfs/dbraw/zinc/34/44/10/822344410.db2.gz QENKJBKIEHHTQF-UHFFFAOYSA-N 1 2 397.338 4.400 20 0 GIADLO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178222946 822355803 /nfs/dbraw/zinc/35/58/03/822355803.db2.gz QSRSJFMIJKTHEJ-QGZVFWFLSA-N 1 2 377.492 4.343 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1OCc1ccccc1 ZINC000178284116 822363179 /nfs/dbraw/zinc/36/31/79/822363179.db2.gz MTWHGMQUGUJFSW-GOSISDBHSA-N 1 2 376.504 4.434 20 0 GIADLO CC(C)[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000045151279 822366226 /nfs/dbraw/zinc/36/62/26/822366226.db2.gz ADQPISOYHYKKNW-OAQYLSRUSA-N 1 2 380.467 4.267 20 0 GIADLO CC(C)[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1 ZINC000045150795 822366237 /nfs/dbraw/zinc/36/62/37/822366237.db2.gz LVHYPAPQAVYHBW-QFIPXVFZSA-N 1 2 394.494 4.310 20 0 GIADLO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)c3nnnn3-c3ccccc3)c(C)c2c1 ZINC000178341397 822369156 /nfs/dbraw/zinc/36/91/56/822369156.db2.gz RAFSPZOJTONZNI-HUUCEWRRSA-N 1 2 377.448 4.137 20 0 GIADLO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178370393 822372163 /nfs/dbraw/zinc/37/21/63/822372163.db2.gz UWXRJHSZPOVHAM-ZDUSSCGKSA-N 1 2 396.903 4.333 20 0 GIADLO CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182818765 822372733 /nfs/dbraw/zinc/37/27/33/822372733.db2.gz SIFKSIONZJMONF-CQSZACIVSA-N 1 2 395.404 4.248 20 0 GIADLO CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182818765 822372738 /nfs/dbraw/zinc/37/27/38/822372738.db2.gz SIFKSIONZJMONF-CQSZACIVSA-N 1 2 395.404 4.248 20 0 GIADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182828758 822374377 /nfs/dbraw/zinc/37/43/77/822374377.db2.gz DYKQAULZGYTPJE-KRWDZBQOSA-N 1 2 395.425 4.340 20 0 GIADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182828758 822374383 /nfs/dbraw/zinc/37/43/83/822374383.db2.gz DYKQAULZGYTPJE-KRWDZBQOSA-N 1 2 395.425 4.340 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Cc2cccs2)cc1 ZINC000045294213 822376597 /nfs/dbraw/zinc/37/65/97/822376597.db2.gz XVRJUWASSWTXDH-UHFFFAOYSA-N 1 2 383.517 4.005 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(OC)cc2)cc1 ZINC000045294215 822376687 /nfs/dbraw/zinc/37/66/87/822376687.db2.gz DFNZPXJVLOWKEZ-UHFFFAOYSA-N 1 2 393.487 4.023 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)Nc1c(F)cc(Cl)cc1F ZINC000182858298 822380264 /nfs/dbraw/zinc/38/02/64/822380264.db2.gz TUGHNTXKJKBBRO-UHFFFAOYSA-N 1 2 390.821 4.227 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1c(F)cc(Cl)cc1F ZINC000182860025 822380656 /nfs/dbraw/zinc/38/06/56/822380656.db2.gz FKUVKSPRDWNKOS-UHFFFAOYSA-N 1 2 380.757 4.265 20 0 GIADLO CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2)cc1 ZINC000178470018 822382387 /nfs/dbraw/zinc/38/23/87/822382387.db2.gz KEXDQYHCFWQQLM-MRXNPFEDSA-N 1 2 377.444 4.275 20 0 GIADLO CCC(C)(C)OCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000453613306 822393076 /nfs/dbraw/zinc/39/30/76/822393076.db2.gz LCPBEGDQNMBEBK-UHFFFAOYSA-N 1 2 379.501 4.262 20 0 GIADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045531966 822393854 /nfs/dbraw/zinc/39/38/54/822393854.db2.gz NZRUJJAOCBKJIV-QGZVFWFLSA-N 1 2 380.467 4.016 20 0 GIADLO CN1CCCc2cc([NH2+]C3CCN(C(=O)c4ccccc4Cl)CC3)ccc21 ZINC000182954572 822399303 /nfs/dbraw/zinc/39/93/03/822399303.db2.gz PFYLJIIUOWOODG-UHFFFAOYSA-N 1 2 383.923 4.439 20 0 GIADLO C[N@@H+]1CCCc2cc(NC3CCN(C(=O)c4ccccc4Cl)CC3)ccc21 ZINC000182954572 822399309 /nfs/dbraw/zinc/39/93/09/822399309.db2.gz PFYLJIIUOWOODG-UHFFFAOYSA-N 1 2 383.923 4.439 20 0 GIADLO C[N@H+]1CCCc2cc(NC3CCN(C(=O)c4ccccc4Cl)CC3)ccc21 ZINC000182954572 822399312 /nfs/dbraw/zinc/39/93/12/822399312.db2.gz PFYLJIIUOWOODG-UHFFFAOYSA-N 1 2 383.923 4.439 20 0 GIADLO O=C(NCCCSc1ccc(F)cc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045605831 822399370 /nfs/dbraw/zinc/39/93/70/822399370.db2.gz MUPLAEZDJVTJLB-UHFFFAOYSA-N 1 2 398.507 4.052 20 0 GIADLO CN(Cc1c(F)cccc1Cl)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045606158 822399541 /nfs/dbraw/zinc/39/95/41/822399541.db2.gz CQNIFRBTMMJUTF-UHFFFAOYSA-N 1 2 386.858 4.066 20 0 GIADLO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045634836 822401817 /nfs/dbraw/zinc/40/18/17/822401817.db2.gz IEVCALVPCHYGAV-UHFFFAOYSA-N 1 2 382.552 4.040 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)c1 ZINC000178682945 822402452 /nfs/dbraw/zinc/40/24/52/822402452.db2.gz QIXFSYHSVYJICM-PWIZWCRZSA-N 1 2 384.545 4.074 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3C[C@@H]3c3sccc3C)CC2)c1 ZINC000178682931 822402482 /nfs/dbraw/zinc/40/24/82/822402482.db2.gz QIXFSYHSVYJICM-VDGAXYAQSA-N 1 2 384.545 4.074 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[NH+]3CCCCCCC3)c2=S)c1 ZINC000045715112 822407280 /nfs/dbraw/zinc/40/72/80/822407280.db2.gz JADQIWLJORMIEW-UHFFFAOYSA-N 1 2 399.564 4.463 20 0 GIADLO CC(C)Cn1ccnc1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178788492 822409797 /nfs/dbraw/zinc/40/97/97/822409797.db2.gz GXQCKXFCVULLMJ-MRXNPFEDSA-N 1 2 378.314 4.305 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2c(F)cccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000178789796 822410098 /nfs/dbraw/zinc/41/00/98/822410098.db2.gz IBNJZTWDCRTRFH-WBVHZDCISA-N 1 2 383.801 4.324 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2c(F)cccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000178789796 822410101 /nfs/dbraw/zinc/41/01/01/822410101.db2.gz IBNJZTWDCRTRFH-WBVHZDCISA-N 1 2 383.801 4.324 20 0 GIADLO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045761139 822411293 /nfs/dbraw/zinc/41/12/93/822411293.db2.gz FODVSFIMWLVXIZ-UHFFFAOYSA-N 1 2 376.460 4.087 20 0 GIADLO Fc1ccccc1C[N@H+](Cc1cn(Cc2cccnc2)nn1)C1CCCCC1 ZINC000183049202 822417479 /nfs/dbraw/zinc/41/74/79/822417479.db2.gz OKOOZYKKBDMHDW-UHFFFAOYSA-N 1 2 379.483 4.195 20 0 GIADLO Fc1ccccc1C[N@@H+](Cc1cn(Cc2cccnc2)nn1)C1CCCCC1 ZINC000183049202 822417483 /nfs/dbraw/zinc/41/74/83/822417483.db2.gz OKOOZYKKBDMHDW-UHFFFAOYSA-N 1 2 379.483 4.195 20 0 GIADLO CC(C)c1nnc(/C=C/C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)o1 ZINC000183066949 822419811 /nfs/dbraw/zinc/41/98/11/822419811.db2.gz UNJIJTRHSZNTGR-ZHACJKMWSA-N 1 2 377.448 4.045 20 0 GIADLO Clc1ccc(SC2CC[NH+](Cc3cn(Cc4cccnc4)nn3)CC2)cc1 ZINC000183110671 822425913 /nfs/dbraw/zinc/42/59/13/822425913.db2.gz CHONHECUTPPQRT-UHFFFAOYSA-N 1 2 399.951 4.132 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cnc3ccc(F)cc3c2)C[C@@H](C)O1 ZINC000178984114 822426301 /nfs/dbraw/zinc/42/63/01/822426301.db2.gz AEEXDEVEFKDVQH-HZPDHXFCSA-N 1 2 393.462 4.235 20 0 GIADLO COc1ccc([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1Cn1cccn1 ZINC000183148474 822431480 /nfs/dbraw/zinc/43/14/80/822431480.db2.gz VBDZSYWAKNHASY-QGZVFWFLSA-N 1 2 377.492 4.108 20 0 GIADLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc(OCc2nccn2C)cc1 ZINC000183150032 822431695 /nfs/dbraw/zinc/43/16/95/822431695.db2.gz JOZSSRKUYSROBC-QGZVFWFLSA-N 1 2 377.492 4.167 20 0 GIADLO CC(C)c1ccccc1OCCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000179067307 822434922 /nfs/dbraw/zinc/43/49/22/822434922.db2.gz FFPHLWYUCFBOEU-UHFFFAOYSA-N 1 2 377.488 4.140 20 0 GIADLO CCc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cnn1-c1ccc(F)cc1 ZINC000046118639 822442180 /nfs/dbraw/zinc/44/21/80/822442180.db2.gz QPFMDRLKMJBUQB-UHFFFAOYSA-N 1 2 375.407 4.012 20 0 GIADLO COc1cc([C@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)ccc1OCC(C)C ZINC000454264310 822446048 /nfs/dbraw/zinc/44/60/48/822446048.db2.gz PYCWQFSNUQTMMA-KRWDZBQOSA-N 1 2 385.508 4.302 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000179174820 822447243 /nfs/dbraw/zinc/44/72/43/822447243.db2.gz PVWOSMVNWPAZQH-QRWLVFNGSA-N 1 2 380.879 4.322 20 0 GIADLO C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ncc(Br)s1 ZINC000179203415 822450217 /nfs/dbraw/zinc/45/02/17/822450217.db2.gz XIDTVRSWBAWBIU-NSHDSACASA-N 1 2 382.327 4.473 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ncc(Br)s1 ZINC000179212466 822451836 /nfs/dbraw/zinc/45/18/36/822451836.db2.gz NNJRBEIDSRUGRC-SNVBAGLBSA-N 1 2 381.274 4.081 20 0 GIADLO C[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cccc(C2CC2)c1 ZINC000454301702 822454583 /nfs/dbraw/zinc/45/45/83/822454583.db2.gz MHOSXIFIMPJSDM-GOSISDBHSA-N 1 2 388.515 4.412 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454325241 822458165 /nfs/dbraw/zinc/45/81/65/822458165.db2.gz FKZHJKISOARRSB-ROUUACIJSA-N 1 2 394.441 4.242 20 0 GIADLO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454328311 822458735 /nfs/dbraw/zinc/45/87/35/822458735.db2.gz HIKVQBLYABWYOV-QFIPXVFZSA-N 1 2 392.478 4.426 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(Cl)ccc2F)C[C@H](C)O1 ZINC000046342843 822463561 /nfs/dbraw/zinc/46/35/61/822463561.db2.gz ACRMPPNFMZTQIJ-KBPBESRZSA-N 1 2 376.859 4.341 20 0 GIADLO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c(OC)c1OC ZINC000183373124 822465331 /nfs/dbraw/zinc/46/53/31/822465331.db2.gz BNOPRWQICRYMFD-FQEVSTJZSA-N 1 2 382.435 4.126 20 0 GIADLO CCOC(=O)c1ccc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)o1 ZINC000179345806 822468690 /nfs/dbraw/zinc/46/86/90/822468690.db2.gz XXVLOVKUUHSSIX-UHFFFAOYSA-N 1 2 375.852 4.205 20 0 GIADLO CSc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179360945 822471143 /nfs/dbraw/zinc/47/11/43/822471143.db2.gz YZMZUJUSEOMGHX-WMZOPIPTSA-N 1 2 378.900 4.376 20 0 GIADLO CSc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179360945 822471145 /nfs/dbraw/zinc/47/11/45/822471145.db2.gz YZMZUJUSEOMGHX-WMZOPIPTSA-N 1 2 378.900 4.376 20 0 GIADLO CSCCCCCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000183440722 822475347 /nfs/dbraw/zinc/47/53/47/822475347.db2.gz OUJRDVSEERFKSZ-QZTJIDSGSA-N 1 2 393.597 4.341 20 0 GIADLO CN(C)c1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C(F)(F)F)c1 ZINC000046468887 822475869 /nfs/dbraw/zinc/47/58/69/822475869.db2.gz XVHZNAFYOFOJRA-MRXNPFEDSA-N 1 2 397.445 4.204 20 0 GIADLO Cc1cc(Br)cc(C)c1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046468116 822475929 /nfs/dbraw/zinc/47/59/29/822475929.db2.gz IJXDKIKJHAUSJX-OAHLLOKOSA-N 1 2 393.329 4.499 20 0 GIADLO CCOc1cc(C[N@@H+]2CCCO[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000179400273 822477299 /nfs/dbraw/zinc/47/72/99/822477299.db2.gz ZNJXXUKIIWXARQ-NSHDSACASA-N 1 2 394.256 4.060 20 0 GIADLO CCOc1cc(C[N@H+]2CCCO[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000179400273 822477301 /nfs/dbraw/zinc/47/73/01/822477301.db2.gz ZNJXXUKIIWXARQ-NSHDSACASA-N 1 2 394.256 4.060 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cnc([C@@H]2CCCO2)s1 ZINC000179404899 822478017 /nfs/dbraw/zinc/47/80/17/822478017.db2.gz KGWHDINAPUPBJI-KRWDZBQOSA-N 1 2 394.500 4.447 20 0 GIADLO C[C@@H](F)CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000454468319 822480286 /nfs/dbraw/zinc/48/02/86/822480286.db2.gz ZNTYOIXYDCLTRY-QGZVFWFLSA-N 1 2 380.467 4.146 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c[nH+]1 ZINC000454509492 822487387 /nfs/dbraw/zinc/48/73/87/822487387.db2.gz WFWPZAWAJLLXCP-UHFFFAOYSA-N 1 2 399.388 4.437 20 0 GIADLO COc1cccc(N2CC[NH+](Cc3coc(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC000046586648 822488730 /nfs/dbraw/zinc/48/87/30/822488730.db2.gz MKWGBSZPRJEBOB-UHFFFAOYSA-N 1 2 383.879 4.326 20 0 GIADLO Cc1cc2cc(NC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccc(F)c(F)c3)ccc2[nH]1 ZINC000179548011 822501136 /nfs/dbraw/zinc/50/11/36/822501136.db2.gz WPBSDQZUSXLPRM-VQTJNVASSA-N 1 2 384.430 4.321 20 0 GIADLO Cc1cc2cc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccc(F)c(F)c3)ccc2[nH]1 ZINC000179548011 822501140 /nfs/dbraw/zinc/50/11/40/822501140.db2.gz WPBSDQZUSXLPRM-VQTJNVASSA-N 1 2 384.430 4.321 20 0 GIADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000179567869 822504865 /nfs/dbraw/zinc/50/48/65/822504865.db2.gz WBGUZKXMMJXLDV-IBGZPJMESA-N 1 2 383.499 4.372 20 0 GIADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000179567869 822504868 /nfs/dbraw/zinc/50/48/68/822504868.db2.gz WBGUZKXMMJXLDV-IBGZPJMESA-N 1 2 383.499 4.372 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1 ZINC000183670048 822508390 /nfs/dbraw/zinc/50/83/90/822508390.db2.gz SLSKZWLXUZQEOY-HNNXBMFYSA-N 1 2 398.532 4.007 20 0 GIADLO CC(C)(C)OC(=O)C1CCC(Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000179615545 822513329 /nfs/dbraw/zinc/51/33/29/822513329.db2.gz RSPWEHVVCYODQN-UHFFFAOYSA-N 1 2 385.508 4.275 20 0 GIADLO CNC(=O)c1cccc(C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)c1 ZINC000183717638 822516116 /nfs/dbraw/zinc/51/61/16/822516116.db2.gz KYBJQKCSLDPYRU-LJQANCHMSA-N 1 2 399.288 4.281 20 0 GIADLO CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000179632850 822516619 /nfs/dbraw/zinc/51/66/19/822516619.db2.gz LBOWKYXDUOZYNQ-UHFFFAOYSA-N 1 2 385.855 4.048 20 0 GIADLO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000179632993 822516668 /nfs/dbraw/zinc/51/66/68/822516668.db2.gz AQGGJBRDWJRMLC-UHFFFAOYSA-N 1 2 388.471 4.354 20 0 GIADLO O=c1cc(C[NH2+][C@H](c2ccccc2)c2cc(Cl)ccc2Cl)[nH]c2ccnn21 ZINC000183733768 822518436 /nfs/dbraw/zinc/51/84/36/822518436.db2.gz PZUXWWSYYXTZDX-HXUWFJFHSA-N 1 2 399.281 4.209 20 0 GIADLO Cc1cccc(Cc2cnc(NC(=O)C[N@@H+](C)[C@H](C)c3ccncc3)s2)c1 ZINC000179664380 822522982 /nfs/dbraw/zinc/52/29/82/822522982.db2.gz YTGVTQBMCCVYHF-MRXNPFEDSA-N 1 2 380.517 4.069 20 0 GIADLO Cc1cccc(Cc2cnc(NC(=O)C[N@H+](C)[C@H](C)c3ccncc3)s2)c1 ZINC000179664380 822522985 /nfs/dbraw/zinc/52/29/85/822522985.db2.gz YTGVTQBMCCVYHF-MRXNPFEDSA-N 1 2 380.517 4.069 20 0 GIADLO C[C@H](c1cccc(NC(=O)N2CC3(CC3)c3ccccc32)c1)[NH+]1CCOCC1 ZINC000454735946 822525349 /nfs/dbraw/zinc/52/53/49/822525349.db2.gz IROLTLZWPYPKSS-QGZVFWFLSA-N 1 2 377.488 4.164 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(OC(C)C)c3)n2)c(OC)c1 ZINC000179678918 822525580 /nfs/dbraw/zinc/52/55/80/822525580.db2.gz MZBDRCUUAUBWHD-HNNXBMFYSA-N 1 2 397.475 4.392 20 0 GIADLO CCCn1ncc(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1C1CC1 ZINC000454739002 822526005 /nfs/dbraw/zinc/52/60/05/822526005.db2.gz LTYBTLJSPICRBK-MRXNPFEDSA-N 1 2 397.523 4.208 20 0 GIADLO C[C@H](c1cccc(NC(=O)NC[C@H]2CCCCC2(F)F)c1)[NH+]1CCOCC1 ZINC000454749138 822527711 /nfs/dbraw/zinc/52/77/11/822527711.db2.gz USQGWLALROIKMK-NVXWUHKLSA-N 1 2 381.467 4.027 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCCCC[C@@H]1c1ccncc1 ZINC000046921432 822531199 /nfs/dbraw/zinc/53/11/99/822531199.db2.gz QDYMJFFHYXWHBR-JOCHJYFZSA-N 1 2 389.503 4.153 20 0 GIADLO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](c1cccc(C)c1)c1ccccn1 ZINC000183827894 822533034 /nfs/dbraw/zinc/53/30/34/822533034.db2.gz BVTWSNDQKXHQDG-HOYKHHGWSA-N 1 2 390.483 4.382 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccnn2C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179713684 822533222 /nfs/dbraw/zinc/53/32/22/822533222.db2.gz UHPGYHRNEMZSEM-WMZOPIPTSA-N 1 2 393.894 4.214 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccnn2C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179713684 822533224 /nfs/dbraw/zinc/53/32/24/822533224.db2.gz UHPGYHRNEMZSEM-WMZOPIPTSA-N 1 2 393.894 4.214 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000046944831 822533292 /nfs/dbraw/zinc/53/32/92/822533292.db2.gz VHURHQCLZULEMQ-UHFFFAOYSA-N 1 2 395.532 4.083 20 0 GIADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943227 822533358 /nfs/dbraw/zinc/53/33/58/822533358.db2.gz ROPLJIMYAAWOGH-INIZCTEOSA-N 1 2 378.476 4.199 20 0 GIADLO Cc1cc2cc(C(=O)N3CCC[C@H]3Cn3cc[nH+]c3)oc2c(Br)c1 ZINC000183861844 822537523 /nfs/dbraw/zinc/53/75/23/822537523.db2.gz CVEGMDRWBDHQNA-AWEZNQCLSA-N 1 2 388.265 4.005 20 0 GIADLO CSc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000047054874 822541133 /nfs/dbraw/zinc/54/11/33/822541133.db2.gz KYGYHXNNCNRGIE-HNNXBMFYSA-N 1 2 375.563 4.058 20 0 GIADLO OC[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1cccc(Br)c1 ZINC000183893073 822541765 /nfs/dbraw/zinc/54/17/65/822541765.db2.gz ONGXQDSNOWWFOM-KRWDZBQOSA-N 1 2 391.240 4.066 20 0 GIADLO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000179752382 822542934 /nfs/dbraw/zinc/54/29/34/822542934.db2.gz XCQRRDBOWIAMKZ-FUHWJXTLSA-N 1 2 391.309 4.115 20 0 GIADLO COc1ccccc1COC1CC[NH+](Cc2noc(-c3ccccc3C)n2)CC1 ZINC000179752818 822543172 /nfs/dbraw/zinc/54/31/72/822543172.db2.gz OQOPSVXLUGSWEH-UHFFFAOYSA-N 1 2 393.487 4.235 20 0 GIADLO O=C(N[C@@H](c1ccccc1)C1CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000047095156 822544204 /nfs/dbraw/zinc/54/42/04/822544204.db2.gz SKQZNFFLIXMDCJ-QFIPXVFZSA-N 1 2 378.520 4.235 20 0 GIADLO Cc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc(NC(=O)C4CC4)cc3)n2)ccc1F ZINC000179759513 822544835 /nfs/dbraw/zinc/54/48/35/822544835.db2.gz CSCZQJXKEAXSPU-AWEZNQCLSA-N 1 2 394.450 4.383 20 0 GIADLO C[C@@H](CCCC(F)(F)F)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454851437 822545751 /nfs/dbraw/zinc/54/57/51/822545751.db2.gz CAHKERHATQPWML-LBPRGKRZSA-N 1 2 388.821 4.446 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2OC(F)F)CC1 ZINC000183923632 822547712 /nfs/dbraw/zinc/54/77/12/822547712.db2.gz YMWKBFCDLNODQG-GFCCVEGCSA-N 1 2 399.438 4.399 20 0 GIADLO COc1c(C)cc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000179771968 822549438 /nfs/dbraw/zinc/54/94/38/822549438.db2.gz QNFRYPRFLMRFKS-HDICACEKSA-N 1 2 382.504 4.174 20 0 GIADLO COc1c(C)cc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000179771968 822549440 /nfs/dbraw/zinc/54/94/40/822549440.db2.gz QNFRYPRFLMRFKS-HDICACEKSA-N 1 2 382.504 4.174 20 0 GIADLO Cc1ccccc1C([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccccc1C ZINC000183947626 822552077 /nfs/dbraw/zinc/55/20/77/822552077.db2.gz KSYHYWMARJJODN-UHFFFAOYSA-N 1 2 393.556 4.270 20 0 GIADLO Cc1cnc(C(C)(C)[NH2+]CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000183975819 822556796 /nfs/dbraw/zinc/55/67/96/822556796.db2.gz AKJMPOASPFFKID-UHFFFAOYSA-N 1 2 393.361 4.057 20 0 GIADLO Cc1c(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cnn1-c1ccccc1 ZINC000184008169 822562885 /nfs/dbraw/zinc/56/28/85/822562885.db2.gz VEOAMYVTCZMARX-MRXNPFEDSA-N 1 2 395.532 4.153 20 0 GIADLO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179840540 822564106 /nfs/dbraw/zinc/56/41/06/822564106.db2.gz IYLSBFJIOSEYBT-UHFFFAOYSA-N 1 2 379.287 4.047 20 0 GIADLO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179840540 822564107 /nfs/dbraw/zinc/56/41/07/822564107.db2.gz IYLSBFJIOSEYBT-UHFFFAOYSA-N 1 2 379.287 4.047 20 0 GIADLO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]c1ccc(N2CCSCC2)cc1 ZINC000179902306 822573982 /nfs/dbraw/zinc/57/39/82/822573982.db2.gz ABUCSRJVSBRAMW-CQSZACIVSA-N 1 2 390.940 4.117 20 0 GIADLO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]c1ccc(N2CCSCC2)cc1 ZINC000179902290 822574035 /nfs/dbraw/zinc/57/40/35/822574035.db2.gz ABUCSRJVSBRAMW-AWEZNQCLSA-N 1 2 390.940 4.117 20 0 GIADLO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000179933519 822579956 /nfs/dbraw/zinc/57/99/56/822579956.db2.gz DMZULDKBYIOCCS-WDEREUQCSA-N 1 2 395.818 4.074 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000179937318 822580792 /nfs/dbraw/zinc/58/07/92/822580792.db2.gz QFYCTVHFYRXCAJ-ZWKOTPCHSA-N 1 2 385.939 4.209 20 0 GIADLO Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000184127033 822582795 /nfs/dbraw/zinc/58/27/95/822582795.db2.gz HFWVVMYFDOAMSN-QGZVFWFLSA-N 1 2 395.532 4.153 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000179950621 822584193 /nfs/dbraw/zinc/58/41/93/822584193.db2.gz ZUQSRFCHNQQHJE-UHFFFAOYSA-N 1 2 375.542 4.247 20 0 GIADLO Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)c(C)c1 ZINC000047529379 822587761 /nfs/dbraw/zinc/58/77/61/822587761.db2.gz BDAHOEWWJLGSRN-UHFFFAOYSA-N 1 2 387.483 4.224 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C[C@@H](C)O1 ZINC000047569499 822591847 /nfs/dbraw/zinc/59/18/47/822591847.db2.gz CKOGDDJZCGAGPF-YSTOQKLRSA-N 1 2 385.552 4.340 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180008567 822595258 /nfs/dbraw/zinc/59/52/58/822595258.db2.gz GDYNFQKPAKPGDD-QHCPKHFHSA-N 1 2 389.478 4.241 20 0 GIADLO CC(C)COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc2ncccc21)c1ccco1 ZINC000184206477 822596237 /nfs/dbraw/zinc/59/62/37/822596237.db2.gz CYLHUGJBHBTXDB-OXQOHEQNSA-N 1 2 381.476 4.158 20 0 GIADLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000180017995 822597445 /nfs/dbraw/zinc/59/74/45/822597445.db2.gz VCDZEVIPWOSFAN-UHFFFAOYSA-N 1 2 384.863 4.188 20 0 GIADLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(-c4cccs4)o3)ccc2NC1=O ZINC000180027521 822600041 /nfs/dbraw/zinc/60/00/41/822600041.db2.gz SDKPSULZIMJFLM-IUODEOHRSA-N 1 2 383.473 4.363 20 0 GIADLO CC(C)COc1cccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000047696554 822600424 /nfs/dbraw/zinc/60/04/24/822600424.db2.gz OLXOOONWFHIWRF-UHFFFAOYSA-N 1 2 378.476 4.288 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1scnc1C1CCCC1 ZINC000184236344 822600689 /nfs/dbraw/zinc/60/06/89/822600689.db2.gz GBAYRGIOVALWIN-UHFFFAOYSA-N 1 2 380.517 4.018 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2nc3oc(C)c(C)c3c(N)n2)ccc1OCC(C)C ZINC000180087123 822612650 /nfs/dbraw/zinc/61/26/50/822612650.db2.gz AOGISVHBHKKOAV-AWEZNQCLSA-N 1 2 398.507 4.316 20 0 GIADLO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000455258109 822619445 /nfs/dbraw/zinc/61/94/45/822619445.db2.gz HAAOZPNAJDPOBE-AWEZNQCLSA-N 1 2 377.872 4.087 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000047931489 822620485 /nfs/dbraw/zinc/62/04/85/822620485.db2.gz OBUIIOIYFISRQO-CQSZACIVSA-N 1 2 378.457 4.085 20 0 GIADLO CN(C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H](CO)CC(C)(C)C ZINC000455275563 822624449 /nfs/dbraw/zinc/62/44/49/822624449.db2.gz AWTBYWPLDHJIJQ-IBGZPJMESA-N 1 2 384.524 4.147 20 0 GIADLO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@@H](C)c3nccs3)n2)c(C)c1 ZINC000184389806 822626827 /nfs/dbraw/zinc/62/68/27/822626827.db2.gz PRAGCUQPBOULGO-AWEZNQCLSA-N 1 2 386.546 4.481 20 0 GIADLO CCc1nn(C)cc1C[NH2+][C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000180148765 822626939 /nfs/dbraw/zinc/62/69/39/822626939.db2.gz JOBSSYYUCXFNLC-QFIPXVFZSA-N 1 2 383.467 4.018 20 0 GIADLO CCc1c(NC(=O)NCc2c[nH+]c(C)cc2C)cnn1-c1ccc(Cl)cc1 ZINC000455284077 822626978 /nfs/dbraw/zinc/62/69/78/822626978.db2.gz PNOSCRGDVIKAEH-UHFFFAOYSA-N 1 2 383.883 4.422 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)c1nc(C(C)(C)C)cs1 ZINC000184445644 822636571 /nfs/dbraw/zinc/63/65/71/822636571.db2.gz YUJZLDRQTCKTFR-LLVKDONJSA-N 1 2 385.986 4.465 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(Cl)c1 ZINC000184474789 822642345 /nfs/dbraw/zinc/64/23/45/822642345.db2.gz JSAIDXHTXWNDFD-IAGOWNOFSA-N 1 2 394.943 4.338 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(Cl)c1 ZINC000184474789 822642347 /nfs/dbraw/zinc/64/23/47/822642347.db2.gz JSAIDXHTXWNDFD-IAGOWNOFSA-N 1 2 394.943 4.338 20 0 GIADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000184482579 822643501 /nfs/dbraw/zinc/64/35/01/822643501.db2.gz SCLMHVFUWYFKRV-CQSZACIVSA-N 1 2 378.419 4.174 20 0 GIADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000184482579 822643505 /nfs/dbraw/zinc/64/35/05/822643505.db2.gz SCLMHVFUWYFKRV-CQSZACIVSA-N 1 2 378.419 4.174 20 0 GIADLO COc1cc(-c2ccccc2)sc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000048222855 822646366 /nfs/dbraw/zinc/64/63/66/822646366.db2.gz BMOXSPRZUJVIKD-UHFFFAOYSA-N 1 2 385.514 4.120 20 0 GIADLO COc1cc(-c2ccccc2)sc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000048222855 822646368 /nfs/dbraw/zinc/64/63/68/822646368.db2.gz BMOXSPRZUJVIKD-UHFFFAOYSA-N 1 2 385.514 4.120 20 0 GIADLO COCCc1noc(C[NH2+][C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)n1 ZINC000184514805 822648678 /nfs/dbraw/zinc/64/86/78/822648678.db2.gz GVDZLKGASMNJIO-NSHDSACASA-N 1 2 392.912 4.195 20 0 GIADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)C1(C2CCC2)CCC1 ZINC000455413550 822649132 /nfs/dbraw/zinc/64/91/32/822649132.db2.gz DJLXCLZEOZQESE-UHFFFAOYSA-N 1 2 377.492 4.232 20 0 GIADLO COC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccco1 ZINC000184526081 822651147 /nfs/dbraw/zinc/65/11/47/822651147.db2.gz NLKOHCVFNLKISM-HSMVNMDESA-N 1 2 385.291 4.129 20 0 GIADLO O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cccc2[nH+]ccn21 ZINC000180310179 822661333 /nfs/dbraw/zinc/66/13/33/822661333.db2.gz HYWORTCUFLXCQY-BENRWUELSA-N 1 2 382.345 4.007 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)c(C)[nH+]1 ZINC000455483723 822663398 /nfs/dbraw/zinc/66/33/98/822663398.db2.gz QDQFLQIDPVEGGO-UHFFFAOYSA-N 1 2 375.419 4.360 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2cc(Br)ccc2F)c2ccc(F)cc2)cn1 ZINC000184609542 822665273 /nfs/dbraw/zinc/66/52/73/822665273.db2.gz GBSOFQJBCUUGBF-GOSISDBHSA-N 1 2 392.247 4.340 20 0 GIADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(-c2cnn(C)c2C)no1 ZINC000184610476 822665469 /nfs/dbraw/zinc/66/54/69/822665469.db2.gz NXXDWFNZEGXSEM-NRFANRHFSA-N 1 2 390.491 4.090 20 0 GIADLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(-c2cnn(C)c2C)no1 ZINC000184610476 822665471 /nfs/dbraw/zinc/66/54/71/822665471.db2.gz NXXDWFNZEGXSEM-NRFANRHFSA-N 1 2 390.491 4.090 20 0 GIADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Oc1ccccc1)c1ccco1 ZINC000184626158 822667805 /nfs/dbraw/zinc/66/78/05/822667805.db2.gz XYVNVNUIYRXQSZ-VQIMIIECSA-N 1 2 380.444 4.376 20 0 GIADLO COC[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)c1ccco1 ZINC000184629176 822668238 /nfs/dbraw/zinc/66/82/38/822668238.db2.gz FSEVYTQIXNJLDO-SIKLNZKXSA-N 1 2 398.890 4.116 20 0 GIADLO CCc1cc2oc(=O)cc(C[NH2+][C@H](COC)c3ccc(C)o3)c2cc1Cl ZINC000184644926 822670392 /nfs/dbraw/zinc/67/03/92/822670392.db2.gz IFNHOALYKFESOL-QGZVFWFLSA-N 1 2 375.852 4.388 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c(C)[nH+]1 ZINC000455535349 822671687 /nfs/dbraw/zinc/67/16/87/822671687.db2.gz VAGTYAXIOLKGTK-MJGOQNOKSA-N 1 2 390.890 4.366 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)cs1 ZINC000184696821 822678240 /nfs/dbraw/zinc/67/82/40/822678240.db2.gz YDGPNPVLUQXKME-AWEZNQCLSA-N 1 2 380.579 4.128 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cs1 ZINC000184697800 822678312 /nfs/dbraw/zinc/67/83/12/822678312.db2.gz CXTBJTHIWDDSAF-NSHDSACASA-N 1 2 386.348 4.322 20 0 GIADLO Cc1cc([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)ccc1N1CCOCC1 ZINC000180433526 822681043 /nfs/dbraw/zinc/68/10/43/822681043.db2.gz ZVXYBXUFUGWZGF-UHFFFAOYSA-N 1 2 391.515 4.076 20 0 GIADLO c1csc(Cc2nnc(SCCCn3cc[nH+]c3)n2-c2ccccc2)c1 ZINC000180433392 822681105 /nfs/dbraw/zinc/68/11/05/822681105.db2.gz CAPZEPZXEFVXSS-UHFFFAOYSA-N 1 2 381.530 4.299 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccc(C)o1 ZINC000184718689 822681326 /nfs/dbraw/zinc/68/13/26/822681326.db2.gz PNAFANWRQPUCHW-MLGOLLRUSA-N 1 2 385.291 4.049 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cs1 ZINC000184739846 822684457 /nfs/dbraw/zinc/68/44/57/822684457.db2.gz SAMURGMONKHXEY-CYBMUJFWSA-N 1 2 387.505 4.036 20 0 GIADLO FC(F)(F)c1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc(C(F)(F)F)c1 ZINC000180459657 822686116 /nfs/dbraw/zinc/68/61/16/822686116.db2.gz MCDCSWMBIISPLB-KBPBESRZSA-N 1 2 385.373 4.431 20 0 GIADLO FC(F)(F)c1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc(C(F)(F)F)c1 ZINC000180459657 822686117 /nfs/dbraw/zinc/68/61/17/822686117.db2.gz MCDCSWMBIISPLB-KBPBESRZSA-N 1 2 385.373 4.431 20 0 GIADLO C[C@H]([NH2+]Cc1ccncc1Cl)c1cc2c(cc1Br)OCCO2 ZINC000180478037 822688569 /nfs/dbraw/zinc/68/85/69/822688569.db2.gz AMYNQBWRFIUMBM-JTQLQIEISA-N 1 2 383.673 4.120 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)o1 ZINC000184790016 822691450 /nfs/dbraw/zinc/69/14/50/822691450.db2.gz GEGBLNMJAOKOEP-LRDDRELGSA-N 1 2 384.398 4.165 20 0 GIADLO COc1ccc(-n2ccn(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)c2=S)cc1 ZINC000184812696 822694504 /nfs/dbraw/zinc/69/45/04/822694504.db2.gz YKXNRBREHDFQBP-QFIPXVFZSA-N 1 2 393.512 4.106 20 0 GIADLO COc1ccc(-n2ccn(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)c2=S)cc1 ZINC000184812696 822694507 /nfs/dbraw/zinc/69/45/07/822694507.db2.gz YKXNRBREHDFQBP-QFIPXVFZSA-N 1 2 393.512 4.106 20 0 GIADLO CC(C)(C)[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000184816969 822694986 /nfs/dbraw/zinc/69/49/86/822694986.db2.gz FLCJQSLETTUDHC-GAJHUEQPSA-N 1 2 398.572 4.150 20 0 GIADLO CC(C)(C)[C@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000184816969 822694990 /nfs/dbraw/zinc/69/49/90/822694990.db2.gz FLCJQSLETTUDHC-GAJHUEQPSA-N 1 2 398.572 4.150 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000184819565 822695489 /nfs/dbraw/zinc/69/54/89/822695489.db2.gz ARPNVANSERMZBJ-ZBEGNZNMSA-N 1 2 385.291 4.453 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N[C@@H](c2cccs2)C(C)(C)C)o1 ZINC000184841977 822698571 /nfs/dbraw/zinc/69/85/71/822698571.db2.gz QDNMMIMCDXQTAA-BEFAXECRSA-N 1 2 378.538 4.084 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2ccccc2Cc2ccccc2)o1 ZINC000184862048 822702395 /nfs/dbraw/zinc/70/23/95/822702395.db2.gz REOXSEWCOCUMTR-QFIPXVFZSA-N 1 2 392.499 4.349 20 0 GIADLO COc1cc(C[N@H+](C)CCCS(=O)(=O)c2ccc(C)cc2)ccc1SC ZINC000180593302 822707580 /nfs/dbraw/zinc/70/75/80/822707580.db2.gz BNOJVFKYVZLUCS-UHFFFAOYSA-N 1 2 393.574 4.021 20 0 GIADLO COc1cc(C[N@@H+](C)CCCS(=O)(=O)c2ccc(C)cc2)ccc1SC ZINC000180593302 822707583 /nfs/dbraw/zinc/70/75/83/822707583.db2.gz BNOJVFKYVZLUCS-UHFFFAOYSA-N 1 2 393.574 4.021 20 0 GIADLO COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180598239 822708415 /nfs/dbraw/zinc/70/84/15/822708415.db2.gz JJWNAVDLACTQME-KRWDZBQOSA-N 1 2 392.459 4.381 20 0 GIADLO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184891810 822708474 /nfs/dbraw/zinc/70/84/74/822708474.db2.gz JJQBVGLJNQIJNW-ROUUACIJSA-N 1 2 377.488 4.429 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184904314 822710647 /nfs/dbraw/zinc/71/06/47/822710647.db2.gz KYTGYJLPMXWDOT-HUUCEWRRSA-N 1 2 377.444 4.222 20 0 GIADLO Cc1cc([C@H](C)NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c(C)s1 ZINC000049977630 822712967 /nfs/dbraw/zinc/71/29/67/822712967.db2.gz HVMRPNWLEGAPPH-HNNXBMFYSA-N 1 2 396.516 4.081 20 0 GIADLO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1noc(C2CCOCC2)n1 ZINC000184953707 822717875 /nfs/dbraw/zinc/71/78/75/822717875.db2.gz DMKBMLWZYRZKDK-SFHVURJKSA-N 1 2 383.517 4.407 20 0 GIADLO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Br)cc(F)c1O ZINC000184973400 822720237 /nfs/dbraw/zinc/72/02/37/822720237.db2.gz QHIJYUKWWUBIRW-GFCCVEGCSA-N 1 2 394.288 4.140 20 0 GIADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000184981376 822721439 /nfs/dbraw/zinc/72/14/39/822721439.db2.gz QVSJGNOQRDJYSR-YJBOKZPZSA-N 1 2 383.521 4.195 20 0 GIADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000184981376 822721440 /nfs/dbraw/zinc/72/14/40/822721440.db2.gz QVSJGNOQRDJYSR-YJBOKZPZSA-N 1 2 383.521 4.195 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Br)cc(F)c1O ZINC000184984241 822721874 /nfs/dbraw/zinc/72/18/74/822721874.db2.gz YOPPXVMBMLDHEB-LBPRGKRZSA-N 1 2 394.288 4.140 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000185002473 822723931 /nfs/dbraw/zinc/72/39/31/822723931.db2.gz PBSYZOMNRKCSHI-VIFPVBQESA-N 1 2 377.819 4.413 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)s1 ZINC000185002190 822723996 /nfs/dbraw/zinc/72/39/96/822723996.db2.gz ZXXLEXWPOBLQJI-AUUYWEPGSA-N 1 2 375.513 4.289 20 0 GIADLO Cc1cc(C)n2c(nc(=S)n2C[NH+]2CCC(c3ccc(Cl)cc3)CC2)n1 ZINC000185007799 822724682 /nfs/dbraw/zinc/72/46/82/822724682.db2.gz ZMWARVHIAYSELZ-UHFFFAOYSA-N 1 2 387.940 4.368 20 0 GIADLO O=C(NCCn1cc[nH+]c1)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC000185026070 822726637 /nfs/dbraw/zinc/72/66/37/822726637.db2.gz FZZPUCRJUNGLPO-UHFFFAOYSA-N 1 2 375.856 4.257 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1C ZINC000050448246 822729673 /nfs/dbraw/zinc/72/96/73/822729673.db2.gz CJJGRSZUEBQAPV-UHFFFAOYSA-N 1 2 395.503 4.156 20 0 GIADLO CCSCc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000455854544 822737694 /nfs/dbraw/zinc/73/76/94/822737694.db2.gz GUDUPZXWNSLRNF-QGZVFWFLSA-N 1 2 384.549 4.245 20 0 GIADLO CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000050863147 822740488 /nfs/dbraw/zinc/74/04/88/822740488.db2.gz JFAILRNWTJDOPS-IFMALSPDSA-N 1 2 375.472 4.112 20 0 GIADLO C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)Cn1ncn(-c2ccccc2)c1=S ZINC000050928106 822742662 /nfs/dbraw/zinc/74/26/62/822742662.db2.gz PSZIETVCQMQLSN-PZJWPPBQSA-N 1 2 394.544 4.460 20 0 GIADLO C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)Cn1ncn(-c2ccccc2)c1=S ZINC000050928106 822742663 /nfs/dbraw/zinc/74/26/63/822742663.db2.gz PSZIETVCQMQLSN-PZJWPPBQSA-N 1 2 394.544 4.460 20 0 GIADLO Cn1c(=S)n(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)nc1-c1ccco1 ZINC000050927974 822742745 /nfs/dbraw/zinc/74/27/45/822742745.db2.gz YDTPNTFXFCDLAE-IEBWSBKVSA-N 1 2 398.532 4.268 20 0 GIADLO Cn1c(=S)n(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)nc1-c1ccco1 ZINC000050927974 822742748 /nfs/dbraw/zinc/74/27/48/822742748.db2.gz YDTPNTFXFCDLAE-IEBWSBKVSA-N 1 2 398.532 4.268 20 0 GIADLO Brc1ccc(Br)c(C[NH2+]Cc2cn3ccccc3n2)c1 ZINC000185158061 822744122 /nfs/dbraw/zinc/74/41/22/822744122.db2.gz WGRGOZDVNZECCO-UHFFFAOYSA-N 1 2 395.098 4.149 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3scnc3C(C)C)CC2)cc1 ZINC000455898356 822744592 /nfs/dbraw/zinc/74/45/92/822744592.db2.gz PFZQYWGZGZPMMC-UHFFFAOYSA-N 1 2 388.537 4.015 20 0 GIADLO Cc1ccc(C(=O)NC2CC[NH+](Cc3csc(C(C)(C)C)n3)CC2)s1 ZINC000051098268 822746404 /nfs/dbraw/zinc/74/64/04/822746404.db2.gz BSJHTEQMBPAGOA-UHFFFAOYSA-N 1 2 377.579 4.205 20 0 GIADLO CCc1c(C(=O)C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)[nH]c(C)c1C(C)=O ZINC000051131892 822746968 /nfs/dbraw/zinc/74/69/68/822746968.db2.gz MTTJQOOURNATCS-NTKDMRAZSA-N 1 2 396.531 4.371 20 0 GIADLO CCc1c(C(=O)C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)[nH]c(C)c1C(C)=O ZINC000051131892 822746970 /nfs/dbraw/zinc/74/69/70/822746970.db2.gz MTTJQOOURNATCS-NTKDMRAZSA-N 1 2 396.531 4.371 20 0 GIADLO O=C(CCCc1cccc(C(F)(F)F)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000185186164 822747034 /nfs/dbraw/zinc/74/70/34/822747034.db2.gz YZEAARSBYMPTNB-UHFFFAOYSA-N 1 2 391.437 4.208 20 0 GIADLO Cc1ccc(NC(=O)[C@@H]([NH2+]CC(=O)Nc2cccc(F)c2)c2ccccc2)cc1 ZINC000051164776 822748852 /nfs/dbraw/zinc/74/88/52/822748852.db2.gz FISZKYKVLIGGAT-QFIPXVFZSA-N 1 2 391.446 4.042 20 0 GIADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000455938718 822753462 /nfs/dbraw/zinc/75/34/62/822753462.db2.gz ZJFDLOWVILOJMR-LAUBAEHRSA-N 1 2 397.881 4.486 20 0 GIADLO C[C@@H]([NH2+]Cc1cscn1)c1cc(Br)cc(Br)c1O ZINC000185246503 822754281 /nfs/dbraw/zinc/75/42/81/822754281.db2.gz YKYPDCUPNAAEAZ-SSDOTTSWSA-N 1 2 392.116 4.225 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185254198 822755155 /nfs/dbraw/zinc/75/51/55/822755155.db2.gz IAZKSALYMOBUEC-UHFFFAOYSA-N 1 2 375.856 4.326 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185254198 822755157 /nfs/dbraw/zinc/75/51/57/822755157.db2.gz IAZKSALYMOBUEC-UHFFFAOYSA-N 1 2 375.856 4.326 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1C ZINC000051334008 822756514 /nfs/dbraw/zinc/75/65/14/822756514.db2.gz GAXBYJDJROTCDK-UHFFFAOYSA-N 1 2 398.894 4.110 20 0 GIADLO CC[C@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1OC(F)F ZINC000051334847 822756655 /nfs/dbraw/zinc/75/66/55/822756655.db2.gz YSNRCULAKIPNKT-HNNXBMFYSA-N 1 2 393.434 4.259 20 0 GIADLO CN(C[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccccn2)n1)C(=O)OC(C)(C)C ZINC000174288811 822763794 /nfs/dbraw/zinc/76/37/94/822763794.db2.gz DSMWGHNAPCPBJA-INIZCTEOSA-N 1 2 388.537 4.036 20 0 GIADLO CN(C[C@@H]1CCC[N@H+]1Cc1csc(-c2ccccn2)n1)C(=O)OC(C)(C)C ZINC000174288811 822763795 /nfs/dbraw/zinc/76/37/95/822763795.db2.gz DSMWGHNAPCPBJA-INIZCTEOSA-N 1 2 388.537 4.036 20 0 GIADLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C2CC2)n1 ZINC000455999190 822764242 /nfs/dbraw/zinc/76/42/42/822764242.db2.gz KXJTWKZDNSXIAH-ICSRJNTNSA-N 1 2 387.886 4.235 20 0 GIADLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C2CC2)n1 ZINC000455999190 822764243 /nfs/dbraw/zinc/76/42/43/822764243.db2.gz KXJTWKZDNSXIAH-ICSRJNTNSA-N 1 2 387.886 4.235 20 0 GIADLO C[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cc(Br)cc(F)c1O ZINC000185323276 822765850 /nfs/dbraw/zinc/76/58/50/822765850.db2.gz MSMGRNKXEPWRKF-NSHDSACASA-N 1 2 396.256 4.306 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000174318908 822770223 /nfs/dbraw/zinc/77/02/23/822770223.db2.gz OGECHFWYMUWJHL-OAHLLOKOSA-N 1 2 392.425 4.097 20 0 GIADLO C[C@@H](c1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1)C(F)(F)F ZINC000456074558 822774655 /nfs/dbraw/zinc/77/46/55/822774655.db2.gz WBQRLVNKDLXQKW-UGSOOPFHSA-N 1 2 380.385 4.278 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000174344007 822775466 /nfs/dbraw/zinc/77/54/66/822775466.db2.gz CBCCLHFEDDVMPS-UHFFFAOYSA-N 1 2 380.492 4.055 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CC1 ZINC000185381371 822775509 /nfs/dbraw/zinc/77/55/09/822775509.db2.gz UVMSDGLSZNTFAH-INIZCTEOSA-N 1 2 399.560 4.252 20 0 GIADLO Cc1cccc2nc(C[NH2+][C@@H](C)c3cc(Br)cc(F)c3O)cn21 ZINC000185412553 822780457 /nfs/dbraw/zinc/78/04/57/822780457.db2.gz BJVFAOSCEDJVSL-NSHDSACASA-N 1 2 378.245 4.101 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174428357 822788642 /nfs/dbraw/zinc/78/86/42/822788642.db2.gz AUJNEXJTIOGEIN-AWEZNQCLSA-N 1 2 391.406 4.309 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(C)c2Br)c1C ZINC000185489640 822790133 /nfs/dbraw/zinc/79/01/33/822790133.db2.gz LLXQYXYIEZDYAI-UHFFFAOYSA-N 1 2 392.297 4.442 20 0 GIADLO COCc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)ccc1F ZINC000185495688 822790766 /nfs/dbraw/zinc/79/07/66/822790766.db2.gz JBISGRBQGGMJNA-JTQLQIEISA-N 1 2 386.236 4.430 20 0 GIADLO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(Br)cc(F)c1O ZINC000185525762 822793459 /nfs/dbraw/zinc/79/34/59/822793459.db2.gz YRGTYJYCTYUSSR-GXTWGEPZSA-N 1 2 382.273 4.111 20 0 GIADLO O=C(CCCCc1nc2ccccc2s1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052410322 822798487 /nfs/dbraw/zinc/79/84/87/822798487.db2.gz CXUKJTKSGBXLQY-UHFFFAOYSA-N 1 2 399.585 4.415 20 0 GIADLO COc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1Cl ZINC000185589542 822799796 /nfs/dbraw/zinc/79/97/96/822799796.db2.gz OZBZDZIWWUEEFC-CYBMUJFWSA-N 1 2 379.913 4.321 20 0 GIADLO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2csc(C(C)C)n2)cc1 ZINC000052514747 822802301 /nfs/dbraw/zinc/80/23/01/822802301.db2.gz YBYASKRUYPUVFA-HNNXBMFYSA-N 1 2 395.594 4.148 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nc(-c2ccc(F)cc2)no1 ZINC000185635936 822805066 /nfs/dbraw/zinc/80/50/66/822805066.db2.gz YTZINNJWZLMLMP-JTQLQIEISA-N 1 2 397.376 4.102 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052711903 822808025 /nfs/dbraw/zinc/80/80/25/822808025.db2.gz RIUITSXCCMSYRT-SFHVURJKSA-N 1 2 385.577 4.325 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)C3c4ccccc4Oc4ccccc43)sc2C1 ZINC000052759261 822809823 /nfs/dbraw/zinc/80/98/23/822809823.db2.gz SHAQHABIAHIANE-UHFFFAOYSA-N 1 2 377.469 4.007 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)C3c4ccccc4Oc4ccccc43)sc2C1 ZINC000052759261 822809826 /nfs/dbraw/zinc/80/98/26/822809826.db2.gz SHAQHABIAHIANE-UHFFFAOYSA-N 1 2 377.469 4.007 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000052803407 822811202 /nfs/dbraw/zinc/81/12/02/822811202.db2.gz NJWKMWMEIKASAL-IBGZPJMESA-N 1 2 380.517 4.326 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000052803407 822811204 /nfs/dbraw/zinc/81/12/04/822811204.db2.gz NJWKMWMEIKASAL-IBGZPJMESA-N 1 2 380.517 4.326 20 0 GIADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)on1 ZINC000052822361 822811951 /nfs/dbraw/zinc/81/19/51/822811951.db2.gz SYQNNIMLVHIRBC-DENIHFKCSA-N 1 2 385.483 4.307 20 0 GIADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)on1 ZINC000052822361 822811954 /nfs/dbraw/zinc/81/19/54/822811954.db2.gz SYQNNIMLVHIRBC-DENIHFKCSA-N 1 2 385.483 4.307 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cc(Cl)ccc3F)CC2)cc1 ZINC000174610039 822812129 /nfs/dbraw/zinc/81/21/29/822812129.db2.gz GNXDTVJOKZMKNP-UHFFFAOYSA-N 1 2 390.890 4.336 20 0 GIADLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccco2)c2ccc(Cl)cc2)c1 ZINC000174635428 822815706 /nfs/dbraw/zinc/81/57/06/822815706.db2.gz VWGTUPJDNJUNAD-IBGZPJMESA-N 1 2 375.877 4.216 20 0 GIADLO CC(C)(C)c1nc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cs1 ZINC000053038978 822819420 /nfs/dbraw/zinc/81/94/20/822819420.db2.gz TUDRSJYHFZPDAH-UHFFFAOYSA-N 1 2 383.517 4.253 20 0 GIADLO CCCCn1c(SC[C@H](O)c2ccc(C)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000174668835 822821281 /nfs/dbraw/zinc/82/12/81/822821281.db2.gz LXKIJUMDPBGPQP-MSOLQXFVSA-N 1 2 376.570 4.225 20 0 GIADLO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000053116239 822822506 /nfs/dbraw/zinc/82/25/06/822822506.db2.gz DWPAFFRNAGNLDR-UHFFFAOYSA-N 1 2 380.275 4.022 20 0 GIADLO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000053116239 822822508 /nfs/dbraw/zinc/82/25/08/822822508.db2.gz DWPAFFRNAGNLDR-UHFFFAOYSA-N 1 2 380.275 4.022 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000456729961 822827494 /nfs/dbraw/zinc/82/74/94/822827494.db2.gz SJCOQKHPXATCLW-UHFFFAOYSA-N 1 2 395.453 4.305 20 0 GIADLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000053354364 822831485 /nfs/dbraw/zinc/83/14/85/822831485.db2.gz DDVBUASKJCTULW-UHFFFAOYSA-N 1 2 379.273 4.221 20 0 GIADLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000053354364 822831488 /nfs/dbraw/zinc/83/14/88/822831488.db2.gz DDVBUASKJCTULW-UHFFFAOYSA-N 1 2 379.273 4.221 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000174762397 822834020 /nfs/dbraw/zinc/83/40/20/822834020.db2.gz ZWOITQHYXKPCAR-UHFFFAOYSA-N 1 2 381.379 4.009 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000185923354 822834044 /nfs/dbraw/zinc/83/40/44/822834044.db2.gz ZWDAFWALGLQLEP-ZDUSSCGKSA-N 1 2 375.460 4.136 20 0 GIADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000185941878 822835742 /nfs/dbraw/zinc/83/57/42/822835742.db2.gz HBAZNEHRDUZKJE-SQNIBIBYSA-N 1 2 383.492 4.211 20 0 GIADLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000185941878 822835744 /nfs/dbraw/zinc/83/57/44/822835744.db2.gz HBAZNEHRDUZKJE-SQNIBIBYSA-N 1 2 383.492 4.211 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 ZINC000185944617 822835914 /nfs/dbraw/zinc/83/59/14/822835914.db2.gz FHUHMDVKMAWPFJ-OAHLLOKOSA-N 1 2 381.505 4.049 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1nc(C(F)(F)F)cs1 ZINC000185945481 822836117 /nfs/dbraw/zinc/83/61/17/822836117.db2.gz LFHDPSDWIAEILS-CYBMUJFWSA-N 1 2 389.418 4.000 20 0 GIADLO CC[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185971380 822839513 /nfs/dbraw/zinc/83/95/13/822839513.db2.gz LBDWAJZMYJYVRN-ZDUSSCGKSA-N 1 2 375.460 4.209 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1coc2cc(C)c(C)cc21 ZINC000185984241 822840999 /nfs/dbraw/zinc/84/09/99/822840999.db2.gz RINDYAOEUIASOU-UHFFFAOYSA-N 1 2 378.472 4.443 20 0 GIADLO Clc1ccc(-c2nc(CN3CC[NH+](Cc4ccccn4)CC3)cs2)cc1 ZINC000053601623 822842159 /nfs/dbraw/zinc/84/21/59/822842159.db2.gz AXMRJSFSMSNVDG-UHFFFAOYSA-N 1 2 384.936 4.176 20 0 GIADLO Fc1ccc(F)c([C@H]2C[C@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000174838570 822844442 /nfs/dbraw/zinc/84/44/42/822844442.db2.gz NNAKNCZENWLREC-IEBWSBKVSA-N 1 2 397.425 4.118 20 0 GIADLO Fc1ccc(F)c([C@H]2C[C@@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000174838580 822844475 /nfs/dbraw/zinc/84/44/75/822844475.db2.gz NNAKNCZENWLREC-MJGOQNOKSA-N 1 2 397.425 4.118 20 0 GIADLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000053718034 822845804 /nfs/dbraw/zinc/84/58/04/822845804.db2.gz XKOFSQRYGLEGOW-OAQYLSRUSA-N 1 2 397.494 4.083 20 0 GIADLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000053718034 822845805 /nfs/dbraw/zinc/84/58/05/822845805.db2.gz XKOFSQRYGLEGOW-OAQYLSRUSA-N 1 2 397.494 4.083 20 0 GIADLO CC(C)c1ccc(-c2ncc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)s2)cc1 ZINC000174861790 822847892 /nfs/dbraw/zinc/84/78/92/822847892.db2.gz GNXNAPMUIFXRKF-HUUCEWRRSA-N 1 2 380.579 4.187 20 0 GIADLO CC(C)c1ccc(-c2ncc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)s2)cc1 ZINC000174861790 822847896 /nfs/dbraw/zinc/84/78/96/822847896.db2.gz GNXNAPMUIFXRKF-HUUCEWRRSA-N 1 2 380.579 4.187 20 0 GIADLO C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[C@@H]1c1ccccc1 ZINC000174862699 822848210 /nfs/dbraw/zinc/84/82/10/822848210.db2.gz UHEQPUQSTXVMCX-NQIIRXRSSA-N 1 2 378.520 4.017 20 0 GIADLO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000457074901 822850411 /nfs/dbraw/zinc/85/04/11/822850411.db2.gz KLHWTKSOFCUBHY-WIYYLYMNSA-N 1 2 398.934 4.238 20 0 GIADLO COc1cccc([C@@H]([NH2+]CC(=O)N(C)Cc2ccco2)c2ccccc2Cl)c1 ZINC000174893602 822851746 /nfs/dbraw/zinc/85/17/46/822851746.db2.gz NUAPEUNLDYTMPR-JOCHJYFZSA-N 1 2 398.890 4.279 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(Cl)cc1OC ZINC000174906188 822853733 /nfs/dbraw/zinc/85/37/33/822853733.db2.gz GUBMDWSFKRPTEL-UHFFFAOYSA-N 1 2 387.911 4.122 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1cc(F)ccc1F ZINC000174908736 822854300 /nfs/dbraw/zinc/85/43/00/822854300.db2.gz MYMWYWJUOZUGER-UHFFFAOYSA-N 1 2 387.474 4.058 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000186154537 822856298 /nfs/dbraw/zinc/85/62/98/822856298.db2.gz ZPSPBCFIOJGXQL-LBPRGKRZSA-N 1 2 385.817 4.187 20 0 GIADLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000186205683 822860735 /nfs/dbraw/zinc/86/07/35/822860735.db2.gz ZBWKPJDYGCUAJR-VGOFRKELSA-N 1 2 398.503 4.071 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)ccc1Br ZINC000054224469 822869549 /nfs/dbraw/zinc/86/95/49/822869549.db2.gz VVMXKVSCMLXAOF-UHFFFAOYSA-N 1 2 378.176 4.165 20 0 GIADLO Brc1ccc(C2CC(Nc3ccc(Cn4cc[nH+]c4)cn3)C2)cc1 ZINC000569039192 822872140 /nfs/dbraw/zinc/87/21/40/822872140.db2.gz SDIQQGVJKHBJRH-UHFFFAOYSA-N 1 2 383.293 4.447 20 0 GIADLO O=C(Cc1ccccc1OC1CCCC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000457402949 822873210 /nfs/dbraw/zinc/87/32/10/822873210.db2.gz MNZNEXBMDAWXCQ-UHFFFAOYSA-N 1 2 389.499 4.112 20 0 GIADLO COC(=O)N(C)c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000175054181 822874581 /nfs/dbraw/zinc/87/45/81/822874581.db2.gz DBRIKBCXUWRYKS-HXUWFJFHSA-N 1 2 399.466 4.022 20 0 GIADLO COC(=O)N(C)c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000175054181 822874582 /nfs/dbraw/zinc/87/45/82/822874582.db2.gz DBRIKBCXUWRYKS-HXUWFJFHSA-N 1 2 399.466 4.022 20 0 GIADLO C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)ccc1Cl ZINC000186326809 822876646 /nfs/dbraw/zinc/87/66/46/822876646.db2.gz KRRKCUXNSLJQAT-ZDUSSCGKSA-N 1 2 393.318 4.418 20 0 GIADLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)c1nc(-c2cccc(F)c2)no1)c1ccccc1 ZINC000186405681 822889260 /nfs/dbraw/zinc/88/92/60/822889260.db2.gz LBIICBFFYCCFSE-KSSFIOAISA-N 1 2 383.423 4.173 20 0 GIADLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)c1nc(-c2cccc(F)c2)no1)c1ccccc1 ZINC000186405681 822889267 /nfs/dbraw/zinc/88/92/67/822889267.db2.gz LBIICBFFYCCFSE-KSSFIOAISA-N 1 2 383.423 4.173 20 0 GIADLO CCOc1cc(CNc2cc[nH+]cc2F)ccc1OCC(=O)Nc1ccccc1 ZINC000186426136 822892941 /nfs/dbraw/zinc/89/29/41/822892941.db2.gz CVXVYBGRBZGIHW-UHFFFAOYSA-N 1 2 395.434 4.249 20 0 GIADLO CC(C)n1cncc1C[NH+]1CC(C(=O)N2CC(C)(C)c3ccc(C4CC4)cc32)C1 ZINC000569236963 822895351 /nfs/dbraw/zinc/89/53/51/822895351.db2.gz LAZNSNUGDNDBJA-UHFFFAOYSA-N 1 2 392.547 4.098 20 0 GIADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000175169173 822896752 /nfs/dbraw/zinc/89/67/52/822896752.db2.gz KQUQHTZGBLDKGY-LJQANCHMSA-N 1 2 381.501 4.188 20 0 GIADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000175169173 822896755 /nfs/dbraw/zinc/89/67/55/822896755.db2.gz KQUQHTZGBLDKGY-LJQANCHMSA-N 1 2 381.501 4.188 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000457609461 822896913 /nfs/dbraw/zinc/89/69/13/822896913.db2.gz TZDASWNCSDVFQO-LVCYWYKZSA-N 1 2 378.520 4.158 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000457609456 822897043 /nfs/dbraw/zinc/89/70/43/822897043.db2.gz TZDASWNCSDVFQO-DBXWQHBBSA-N 1 2 378.520 4.158 20 0 GIADLO COc1ccc2nc(C[NH+]3CCC(O)(c4c(F)cccc4F)CC3)sc2c1 ZINC000186486339 822903204 /nfs/dbraw/zinc/90/32/04/822903204.db2.gz MQMNCUVJLZETNX-UHFFFAOYSA-N 1 2 390.455 4.067 20 0 GIADLO Cc1c(Cl)cncc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457667235 822903686 /nfs/dbraw/zinc/90/36/86/822903686.db2.gz KTVVAIKMAVFDCX-IRXDYDNUSA-N 1 2 382.266 4.011 20 0 GIADLO Cc1c(Cl)cncc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457667235 822903691 /nfs/dbraw/zinc/90/36/91/822903691.db2.gz KTVVAIKMAVFDCX-IRXDYDNUSA-N 1 2 382.266 4.011 20 0 GIADLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3c(C(C)C)cccc3C(C)C)C2)n1 ZINC000054677430 822905037 /nfs/dbraw/zinc/90/50/37/822905037.db2.gz PPURBHMPZVTCNL-QGZVFWFLSA-N 1 2 384.524 4.443 20 0 GIADLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3c(C(C)C)cccc3C(C)C)C2)n1 ZINC000054677430 822905042 /nfs/dbraw/zinc/90/50/42/822905042.db2.gz PPURBHMPZVTCNL-QGZVFWFLSA-N 1 2 384.524 4.443 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(-c4cccs4)on3)n2)C1 ZINC000054725542 822907654 /nfs/dbraw/zinc/90/76/54/822907654.db2.gz FWOXSCIPDHODLE-LBPRGKRZSA-N 1 2 388.518 4.344 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(-c4cccs4)on3)n2)C1 ZINC000054725542 822907657 /nfs/dbraw/zinc/90/76/57/822907657.db2.gz FWOXSCIPDHODLE-LBPRGKRZSA-N 1 2 388.518 4.344 20 0 GIADLO O=C(Cc1ccccc1OC1CCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000457707912 822909179 /nfs/dbraw/zinc/90/91/79/822909179.db2.gz JPBXVHYVPKHCES-UHFFFAOYSA-N 1 2 395.547 4.466 20 0 GIADLO C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H]1c1cccc(F)c1 ZINC000175234051 822910498 /nfs/dbraw/zinc/91/04/98/822910498.db2.gz ZRRFCVYUFXDOFF-KKSFZXQISA-N 1 2 382.483 4.114 20 0 GIADLO O=C(c1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1)N1CCCCC1 ZINC000054808979 822914604 /nfs/dbraw/zinc/91/46/04/822914604.db2.gz SMMIHDBJXMJIPQ-QFIPXVFZSA-N 1 2 382.479 4.025 20 0 GIADLO O=C(c1cccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1)N1CCCCC1 ZINC000054808979 822914606 /nfs/dbraw/zinc/91/46/06/822914606.db2.gz SMMIHDBJXMJIPQ-QFIPXVFZSA-N 1 2 382.479 4.025 20 0 GIADLO Cc1ccncc1CCC[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000569391024 822915279 /nfs/dbraw/zinc/91/52/79/822915279.db2.gz AQLGUKJEICZLNW-UHFFFAOYSA-N 1 2 385.558 4.057 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Oc2ccc(C)cc2)cn1 ZINC000457757993 822915659 /nfs/dbraw/zinc/91/56/59/822915659.db2.gz LWLCXXODCKRSDM-UHFFFAOYSA-N 1 2 392.503 4.494 20 0 GIADLO Cc1cc(C)c(Br)c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000569410390 822918613 /nfs/dbraw/zinc/91/86/13/822918613.db2.gz VZDXOEITFSBZHY-UHFFFAOYSA-N 1 2 398.304 4.241 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)cs2)cc1 ZINC000569412902 822918930 /nfs/dbraw/zinc/91/89/30/822918930.db2.gz PHEMICGWESCWQH-RBUKOAKNSA-N 1 2 398.528 4.130 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)cs2)cc1 ZINC000569412902 822918933 /nfs/dbraw/zinc/91/89/33/822918933.db2.gz PHEMICGWESCWQH-RBUKOAKNSA-N 1 2 398.528 4.130 20 0 GIADLO Cc1cc(F)cc([C@]2(F)CCN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)C2)c1 ZINC000569415916 822919496 /nfs/dbraw/zinc/91/94/96/822919496.db2.gz BTTVNCYNDJEWDO-QHCPKHFHSA-N 1 2 395.453 4.019 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000054886803 822919875 /nfs/dbraw/zinc/91/98/75/822919875.db2.gz WTUCELXCRAGFQI-INIZCTEOSA-N 1 2 391.471 4.401 20 0 GIADLO Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)Cn2cc[nH+]c2)cc1C ZINC000569446394 822924645 /nfs/dbraw/zinc/92/46/45/822924645.db2.gz DUVXTTSJWGFFLV-UHFFFAOYSA-N 1 2 399.498 4.011 20 0 GIADLO Cc1ccc(S[C@H](C(=O)NCCc2cn(C)c[nH+]2)c2ccccc2)c(C)c1 ZINC000457848751 822925246 /nfs/dbraw/zinc/92/52/46/822925246.db2.gz FCWGXBSDFIVNSV-NRFANRHFSA-N 1 2 379.529 4.229 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2nc(C3CC3)nn2C)ccc1OCc1ccccc1 ZINC000569481277 822928214 /nfs/dbraw/zinc/92/82/14/822928214.db2.gz BWDNKLKOOOYWJC-INIZCTEOSA-N 1 2 392.503 4.131 20 0 GIADLO COc1ccc(-c2noc(C[N@H+](C)Cc3cc4ccccc4o3)n2)c(OC)c1 ZINC000175310023 822931522 /nfs/dbraw/zinc/93/15/22/822931522.db2.gz DGVOTZBIYBUZKH-UHFFFAOYSA-N 1 2 379.416 4.132 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+](C)Cc3cc4ccccc4o3)n2)c(OC)c1 ZINC000175310023 822931528 /nfs/dbraw/zinc/93/15/28/822931528.db2.gz DGVOTZBIYBUZKH-UHFFFAOYSA-N 1 2 379.416 4.132 20 0 GIADLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1OC ZINC000569509326 822931853 /nfs/dbraw/zinc/93/18/53/822931853.db2.gz RRDNJMWTZOUWCR-LJQANCHMSA-N 1 2 397.393 4.176 20 0 GIADLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1OC ZINC000569509326 822931854 /nfs/dbraw/zinc/93/18/54/822931854.db2.gz RRDNJMWTZOUWCR-LJQANCHMSA-N 1 2 397.393 4.176 20 0 GIADLO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055031123 822932457 /nfs/dbraw/zinc/93/24/57/822932457.db2.gz AFJWRLWLOQGRDM-CQSZACIVSA-N 1 2 397.504 4.145 20 0 GIADLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000055031800 822932576 /nfs/dbraw/zinc/93/25/76/822932576.db2.gz BVUZPDAXVOCZBI-UHFFFAOYSA-N 1 2 382.489 4.189 20 0 GIADLO CC(=O)N(c1nc(C[NH2+][C@H]2CO[C@@H](C)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000569603729 822943827 /nfs/dbraw/zinc/94/38/27/822943827.db2.gz AURFAWBFGBFRHB-SMDDNHRTSA-N 1 2 399.438 4.114 20 0 GIADLO CC(=O)N(c1nc(C[NH2+][C@H]2CO[C@H](C)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000569603725 822943835 /nfs/dbraw/zinc/94/38/35/822943835.db2.gz AURFAWBFGBFRHB-BXUZGUMPSA-N 1 2 399.438 4.114 20 0 GIADLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000569627357 822946708 /nfs/dbraw/zinc/94/67/08/822946708.db2.gz NBCBHXJNMBPPRG-RYUDHWBXSA-N 1 2 383.439 4.253 20 0 GIADLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000569627357 822946713 /nfs/dbraw/zinc/94/67/13/822946713.db2.gz NBCBHXJNMBPPRG-RYUDHWBXSA-N 1 2 383.439 4.253 20 0 GIADLO COc1ccc(CCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1Cl ZINC000055310746 822950825 /nfs/dbraw/zinc/95/08/25/822950825.db2.gz JPGGHCKHYMPSCL-UHFFFAOYSA-N 1 2 393.940 4.362 20 0 GIADLO Cc1nc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000569672472 822953568 /nfs/dbraw/zinc/95/35/68/822953568.db2.gz KTVNBTTUOWEMEB-ZQGRQUNCSA-N 1 2 376.884 4.072 20 0 GIADLO Cc1nc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)oc1-c1ccc(Cl)cc1 ZINC000569672472 822953570 /nfs/dbraw/zinc/95/35/70/822953570.db2.gz KTVNBTTUOWEMEB-ZQGRQUNCSA-N 1 2 376.884 4.072 20 0 GIADLO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175389454 822956170 /nfs/dbraw/zinc/95/61/70/822956170.db2.gz GSPBJWAXZHQVCW-OPAMFIHVSA-N 1 2 392.478 4.193 20 0 GIADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCCn1cc[nH+]c1 ZINC000055412662 822958996 /nfs/dbraw/zinc/95/89/96/822958996.db2.gz BDSOJCMDFGDKNG-UHFFFAOYSA-N 1 2 394.422 4.154 20 0 GIADLO COC(=O)c1cc(C[N@H+](C)Cc2cc(-c3ccncc3)ccc2OC)oc1C ZINC000186858691 822969338 /nfs/dbraw/zinc/96/93/38/822969338.db2.gz OHLKIBMDHGMTQF-UHFFFAOYSA-N 1 2 380.444 4.077 20 0 GIADLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(-c3ccncc3)ccc2OC)oc1C ZINC000186858691 822969344 /nfs/dbraw/zinc/96/93/44/822969344.db2.gz OHLKIBMDHGMTQF-UHFFFAOYSA-N 1 2 380.444 4.077 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1F ZINC000175450733 822971825 /nfs/dbraw/zinc/97/18/25/822971825.db2.gz VPNQVVAAJPOZHR-SFHVURJKSA-N 1 2 396.384 4.247 20 0 GIADLO O=C(CC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1)Nc1ccccc1F ZINC000175450733 822971828 /nfs/dbraw/zinc/97/18/28/822971828.db2.gz VPNQVVAAJPOZHR-SFHVURJKSA-N 1 2 396.384 4.247 20 0 GIADLO O=C(Nc1ccc(OCc2ccccc2)nc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000055565061 822980402 /nfs/dbraw/zinc/98/04/02/822980402.db2.gz ZLEACHHGCQKAQE-UHFFFAOYSA-N 1 2 384.439 4.158 20 0 GIADLO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1 ZINC000186921864 822980660 /nfs/dbraw/zinc/98/06/60/822980660.db2.gz GDYXQJHXFBCJBU-BEFAXECRSA-N 1 2 388.895 4.082 20 0 GIADLO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@H+]2CC[C@H](O)[C@H](C)C2)cc1 ZINC000186921864 822980663 /nfs/dbraw/zinc/98/06/63/822980663.db2.gz GDYXQJHXFBCJBU-BEFAXECRSA-N 1 2 388.895 4.082 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000186925735 822981255 /nfs/dbraw/zinc/98/12/55/822981255.db2.gz NNGQPTBHUCVORU-INIZCTEOSA-N 1 2 393.936 4.132 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000186925735 822981257 /nfs/dbraw/zinc/98/12/57/822981257.db2.gz NNGQPTBHUCVORU-INIZCTEOSA-N 1 2 393.936 4.132 20 0 GIADLO COc1cccc([C@H]2C[N@H+](Cc3cc(-c4ccncc4)ccc3OC)CCO2)c1 ZINC000186934634 822983213 /nfs/dbraw/zinc/98/32/13/822983213.db2.gz RZZHDSYMEGGXSL-XMMPIXPASA-N 1 2 390.483 4.339 20 0 GIADLO COc1cccc([C@H]2C[N@@H+](Cc3cc(-c4ccncc4)ccc3OC)CCO2)c1 ZINC000186934634 822983214 /nfs/dbraw/zinc/98/32/14/822983214.db2.gz RZZHDSYMEGGXSL-XMMPIXPASA-N 1 2 390.483 4.339 20 0 GIADLO COCCCn1nccc1C[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000569909328 822984606 /nfs/dbraw/zinc/98/46/06/822984606.db2.gz LQPQMQQWBTVHAF-QFIPXVFZSA-N 1 2 399.922 4.461 20 0 GIADLO COCCCn1nccc1C[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000569909327 822984656 /nfs/dbraw/zinc/98/46/56/822984656.db2.gz LQPQMQQWBTVHAF-JOCHJYFZSA-N 1 2 399.922 4.461 20 0 GIADLO C[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1ncc(Br)cc1F ZINC000186958006 822986935 /nfs/dbraw/zinc/98/69/35/822986935.db2.gz GJFUTOYHHVSHOM-SECBINFHSA-N 1 2 375.188 4.435 20 0 GIADLO CCC[N@H+](Cc1ncc(I)s1)Cc1ccc(F)cc1 ZINC000569968943 822991031 /nfs/dbraw/zinc/99/10/31/822991031.db2.gz NWCJCHWUCYBMDG-UHFFFAOYSA-N 1 2 390.265 4.299 20 0 GIADLO CCC[N@@H+](Cc1ncc(I)s1)Cc1ccc(F)cc1 ZINC000569968943 822991034 /nfs/dbraw/zinc/99/10/34/822991034.db2.gz NWCJCHWUCYBMDG-UHFFFAOYSA-N 1 2 390.265 4.299 20 0 GIADLO CC(=O)c1cccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000569984736 822993577 /nfs/dbraw/zinc/99/35/77/822993577.db2.gz AHFMCMKPCWBNNT-UHFFFAOYSA-N 1 2 388.471 4.411 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3c(c2)C(C)(C)CO3)C[C@H](C)O1 ZINC000570017997 822997676 /nfs/dbraw/zinc/99/76/76/822997676.db2.gz AJFSAXKLOOFOEV-IRXDYDNUSA-N 1 2 394.515 4.218 20 0 GIADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000570057025 823001351 /nfs/dbraw/zinc/00/13/51/823001351.db2.gz QTNMDFUQFTUSEA-HOTGVXAUSA-N 1 2 381.451 4.184 20 0 GIADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000570057025 823001355 /nfs/dbraw/zinc/00/13/55/823001355.db2.gz QTNMDFUQFTUSEA-HOTGVXAUSA-N 1 2 381.451 4.184 20 0 GIADLO COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000570114952 823007041 /nfs/dbraw/zinc/00/70/41/823007041.db2.gz HZDRYMQGSJUHCA-UTKZUKDTSA-N 1 2 375.472 4.494 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)C[C@H]2CCCOC2)cs1)c1ccc(Cl)cc1 ZINC000175658951 823014533 /nfs/dbraw/zinc/01/45/33/823014533.db2.gz DKUDJBPEYGNHNI-OAHLLOKOSA-N 1 2 393.940 4.340 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)C[C@H]2CCCOC2)cs1)c1ccc(Cl)cc1 ZINC000175658951 823014537 /nfs/dbraw/zinc/01/45/37/823014537.db2.gz DKUDJBPEYGNHNI-OAHLLOKOSA-N 1 2 393.940 4.340 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC2(CCCC2)c2ccccc21 ZINC000175662216 823015054 /nfs/dbraw/zinc/01/50/54/823015054.db2.gz GMQNXFPNSKOFKP-UHFFFAOYSA-N 1 2 386.499 4.473 20 0 GIADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187145853 823017410 /nfs/dbraw/zinc/01/74/10/823017410.db2.gz ZRYDZFVDXWJRDW-AREMUKBSSA-N 1 2 387.936 4.354 20 0 GIADLO Clc1ccc2c(ccn2CC[N@@H+]2CCn3c(nnc3-c3ccccc3)C2)c1 ZINC000570246815 823018788 /nfs/dbraw/zinc/01/87/88/823018788.db2.gz BNZNUAXOFJPZTF-UHFFFAOYSA-N 1 2 377.879 4.069 20 0 GIADLO Clc1ccc2c(ccn2CC[N@H+]2CCn3c(nnc3-c3ccccc3)C2)c1 ZINC000570246815 823018789 /nfs/dbraw/zinc/01/87/89/823018789.db2.gz BNZNUAXOFJPZTF-UHFFFAOYSA-N 1 2 377.879 4.069 20 0 GIADLO Cc1cccn2cc(CC(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)[nH+]c12 ZINC000570354926 823028484 /nfs/dbraw/zinc/02/84/84/823028484.db2.gz NASHQDXOSQQQCE-JCNLHEQBSA-N 1 2 387.405 4.266 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCCn2nc(C(C)C)nc21 ZINC000187291142 823037771 /nfs/dbraw/zinc/03/77/71/823037771.db2.gz YMBCPYSHTGPNSN-IBGZPJMESA-N 1 2 377.492 4.097 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000187301995 823039861 /nfs/dbraw/zinc/03/98/61/823039861.db2.gz XJUOLXPIZOHLQS-QGZVFWFLSA-N 1 2 385.471 4.189 20 0 GIADLO CC1(C)C[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC[C@@H]1C(F)(F)F ZINC000190175544 823546431 /nfs/dbraw/zinc/54/64/31/823546431.db2.gz XPXRTVWRIOSHPE-ZDUSSCGKSA-N 1 2 375.341 4.425 20 0 GIADLO CC1(C)C[N@@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC[C@@H]1C(F)(F)F ZINC000190175544 823546436 /nfs/dbraw/zinc/54/64/36/823546436.db2.gz XPXRTVWRIOSHPE-ZDUSSCGKSA-N 1 2 375.341 4.425 20 0 GIADLO CCN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H](C)Cc1ccsc1 ZINC000190178060 823546884 /nfs/dbraw/zinc/54/68/84/823546884.db2.gz WOPGDIRODDWJLH-QGZVFWFLSA-N 1 2 382.533 4.156 20 0 GIADLO CN(C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1)c1nc2ccccc2s1 ZINC000190191062 823548802 /nfs/dbraw/zinc/54/88/02/823548802.db2.gz YZZLJFMXIREDLG-AWEZNQCLSA-N 1 2 385.455 4.170 20 0 GIADLO CN(C(=O)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1)c1nc2ccccc2s1 ZINC000190191062 823548803 /nfs/dbraw/zinc/54/88/03/823548803.db2.gz YZZLJFMXIREDLG-AWEZNQCLSA-N 1 2 385.455 4.170 20 0 GIADLO CC(C)[C@@H](NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(C(C)(C)C)cc1 ZINC000411132652 823550632 /nfs/dbraw/zinc/55/06/32/823550632.db2.gz HARWCCICBRTWSK-HXUWFJFHSA-N 1 2 392.503 4.084 20 0 GIADLO C[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccc(F)c(F)c1 ZINC000460959145 823550774 /nfs/dbraw/zinc/55/07/74/823550774.db2.gz CFGKRMJAWBACHJ-OLZOCXBDSA-N 1 2 379.476 4.395 20 0 GIADLO C[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccc(F)c(F)c1 ZINC000460959145 823550778 /nfs/dbraw/zinc/55/07/78/823550778.db2.gz CFGKRMJAWBACHJ-OLZOCXBDSA-N 1 2 379.476 4.395 20 0 GIADLO CCC(CC)[C@H](C(=O)N[C@@H](C)c1ccccc1C(F)(F)F)[NH+]1CCOCC1 ZINC000460961338 823551250 /nfs/dbraw/zinc/55/12/50/823551250.db2.gz VDVBTGLFIQXHJR-KBXCAEBGSA-N 1 2 386.458 4.020 20 0 GIADLO CCOCc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000123954270 823554972 /nfs/dbraw/zinc/55/49/72/823554972.db2.gz XAKNDXVBFSWFSI-YADHBBJMSA-N 1 2 390.487 4.470 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)c(C)[nH+]1 ZINC000411199905 823556755 /nfs/dbraw/zinc/55/67/55/823556755.db2.gz HKMBYVOIXVTABT-NSHDSACASA-N 1 2 380.275 4.130 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c(C)[nH+]1 ZINC000411228759 823558984 /nfs/dbraw/zinc/55/89/84/823558984.db2.gz RSMIGBLUZYMJDS-FQEVSTJZSA-N 1 2 390.487 4.180 20 0 GIADLO CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000060868390 823563351 /nfs/dbraw/zinc/56/33/51/823563351.db2.gz WIGPTGYXARWNIJ-UHFFFAOYSA-N 1 2 391.456 4.205 20 0 GIADLO C[C@H](CC(F)F)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000411314598 823563982 /nfs/dbraw/zinc/56/39/82/823563982.db2.gz DZWLYJNYHSQCNS-CQSZACIVSA-N 1 2 396.478 4.490 20 0 GIADLO COc1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)ccc1OC(F)F ZINC000060941747 823568323 /nfs/dbraw/zinc/56/83/23/823568323.db2.gz KMWSHQYZUXNYOP-UHFFFAOYSA-N 1 2 396.865 4.268 20 0 GIADLO CC[C@]1(C)Oc2ccc(NC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cc2O1 ZINC000190438016 823573889 /nfs/dbraw/zinc/57/38/89/823573889.db2.gz NOGDEHCANNGJAU-JOCHJYFZSA-N 1 2 392.459 4.151 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000190454034 823576708 /nfs/dbraw/zinc/57/67/08/823576708.db2.gz CGXMKOOUPHCEIO-RTWAWAEBSA-N 1 2 382.552 4.279 20 0 GIADLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccc(F)c(F)c1 ZINC000461105955 823578417 /nfs/dbraw/zinc/57/84/17/823578417.db2.gz DUYSKKLCWYDJMH-DZGCQCFKSA-N 1 2 394.412 4.127 20 0 GIADLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccc(F)c(F)c1 ZINC000461105955 823578418 /nfs/dbraw/zinc/57/84/18/823578418.db2.gz DUYSKKLCWYDJMH-DZGCQCFKSA-N 1 2 394.412 4.127 20 0 GIADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000411507635 823582259 /nfs/dbraw/zinc/58/22/59/823582259.db2.gz SEPCENNTWIRYJI-MRXNPFEDSA-N 1 2 394.544 4.441 20 0 GIADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)ccc1OCc1ccccc1 ZINC000190528909 823583721 /nfs/dbraw/zinc/58/37/21/823583721.db2.gz ICHCEGJSZMTGCK-HZPDHXFCSA-N 1 2 393.491 4.007 20 0 GIADLO C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000061222432 823585081 /nfs/dbraw/zinc/58/50/81/823585081.db2.gz GVVNVVCLDZNJMA-QFBILLFUSA-N 1 2 398.469 4.059 20 0 GIADLO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)c3ccccc3)n2)cc1 ZINC000411540124 823586415 /nfs/dbraw/zinc/58/64/15/823586415.db2.gz WNHVVILXENEUPM-CVEARBPZSA-N 1 2 378.476 4.001 20 0 GIADLO CCc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)N(C)c3ccccc3)n2)cc1 ZINC000411540129 823586541 /nfs/dbraw/zinc/58/65/41/823586541.db2.gz WNHVVILXENEUPM-JKSUJKDBSA-N 1 2 378.476 4.001 20 0 GIADLO CC(C)c1ccc(SCC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000061405540 823595658 /nfs/dbraw/zinc/59/56/58/823595658.db2.gz HXDOOJDXNMETIV-UHFFFAOYSA-N 1 2 379.529 4.463 20 0 GIADLO O=C(c1ccc(-c2ccc(Br)cc2)s1)N1CCn2c[nH+]cc2C1 ZINC000461190333 823595694 /nfs/dbraw/zinc/59/56/94/823595694.db2.gz HVTQESJUIYLYLY-UHFFFAOYSA-N 1 2 388.290 4.030 20 0 GIADLO Cc1cc(OCCCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000124469597 823599424 /nfs/dbraw/zinc/59/94/24/823599424.db2.gz NUILHNVYSBPXBK-DNVCBOLYSA-N 1 2 375.900 4.114 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cc(C)c(F)cc3Cl)cc2)c1C ZINC000461223343 823601109 /nfs/dbraw/zinc/60/11/09/823601109.db2.gz WVMJGPXHYAVAAF-UHFFFAOYSA-N 1 2 393.871 4.391 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000124513193 823602536 /nfs/dbraw/zinc/60/25/36/823602536.db2.gz TXWIVURLKNIHMV-HALQFCHDSA-N 1 2 378.303 4.403 20 0 GIADLO Clc1sc(C[NH2+]Cc2nncn2-c2ccccc2)cc1Br ZINC000190754887 823605373 /nfs/dbraw/zinc/60/53/73/823605373.db2.gz VIKXAXGKHTYJFG-UHFFFAOYSA-N 1 2 383.702 4.035 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)c1nc2c(s1)CCC2 ZINC000411812838 823607306 /nfs/dbraw/zinc/60/73/06/823607306.db2.gz AEVUSKGSNQWWCW-SNVBAGLBSA-N 1 2 398.513 4.453 20 0 GIADLO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000461265862 823608824 /nfs/dbraw/zinc/60/88/24/823608824.db2.gz PBYKCPXTVLOLKV-DOTOQJQBSA-N 1 2 393.453 4.238 20 0 GIADLO Cc1cc(C(=O)C[NH+]2CCC(c3ccncn3)CC2)c(C)n1Cc1cccs1 ZINC000411830743 823610071 /nfs/dbraw/zinc/61/00/71/823610071.db2.gz ZQFWTRGJNLIZAV-UHFFFAOYSA-N 1 2 394.544 4.067 20 0 GIADLO Cc1oncc1C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190798670 823610333 /nfs/dbraw/zinc/61/03/33/823610333.db2.gz QPVGEJIDNMJWFG-OAHLLOKOSA-N 1 2 389.253 4.133 20 0 GIADLO Cc1oncc1C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190798670 823610335 /nfs/dbraw/zinc/61/03/35/823610335.db2.gz QPVGEJIDNMJWFG-OAHLLOKOSA-N 1 2 389.253 4.133 20 0 GIADLO O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000124640590 823613442 /nfs/dbraw/zinc/61/34/42/823613442.db2.gz DPUFIUBTFCQIRC-UHFFFAOYSA-N 1 2 375.350 4.199 20 0 GIADLO CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000461336509 823619815 /nfs/dbraw/zinc/61/98/15/823619815.db2.gz XFTHOEBQDIBQAS-FFZOFVMBSA-N 1 2 376.422 4.159 20 0 GIADLO CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000461336509 823619816 /nfs/dbraw/zinc/61/98/16/823619816.db2.gz XFTHOEBQDIBQAS-FFZOFVMBSA-N 1 2 376.422 4.159 20 0 GIADLO Cc1sc2[nH]c(C[N@H+]3CCC[C@@H](CO)[C@@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000412062517 823625339 /nfs/dbraw/zinc/62/53/39/823625339.db2.gz ARWRDKGWYPLLBE-YOEHRIQHSA-N 1 2 397.544 4.274 20 0 GIADLO Cc1sc2[nH]c(C[N@@H+]3CCC[C@@H](CO)[C@@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000412062517 823625342 /nfs/dbraw/zinc/62/53/42/823625342.db2.gz ARWRDKGWYPLLBE-YOEHRIQHSA-N 1 2 397.544 4.274 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H](CO)[C@H]2C)cs1)c1cccc(Cl)c1 ZINC000412070909 823625518 /nfs/dbraw/zinc/62/55/18/823625518.db2.gz GNXCAKNUWXQWGL-UKRRQHHQSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)cs1)c1cccc(Cl)c1 ZINC000412070909 823625519 /nfs/dbraw/zinc/62/55/19/823625519.db2.gz GNXCAKNUWXQWGL-UKRRQHHQSA-N 1 2 393.940 4.074 20 0 GIADLO C[N@H+](CCOCc1ccccc1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000461380548 823626568 /nfs/dbraw/zinc/62/65/68/823626568.db2.gz BABOFJJVKPMQCD-UHFFFAOYSA-N 1 2 383.517 4.326 20 0 GIADLO C[N@@H+](CCOCc1ccccc1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000461380548 823626573 /nfs/dbraw/zinc/62/65/73/823626573.db2.gz BABOFJJVKPMQCD-UHFFFAOYSA-N 1 2 383.517 4.326 20 0 GIADLO CC(C)(CC(F)F)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000412100490 823626589 /nfs/dbraw/zinc/62/65/89/823626589.db2.gz SBRASAURXKZGIR-CQSZACIVSA-N 1 2 376.850 4.241 20 0 GIADLO CC(C)(CC(F)F)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000412100490 823626590 /nfs/dbraw/zinc/62/65/90/823626590.db2.gz SBRASAURXKZGIR-CQSZACIVSA-N 1 2 376.850 4.241 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190963098 823631223 /nfs/dbraw/zinc/63/12/23/823631223.db2.gz STEVRXJRZWKJQM-AWEZNQCLSA-N 1 2 384.442 4.456 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190963098 823631227 /nfs/dbraw/zinc/63/12/27/823631227.db2.gz STEVRXJRZWKJQM-AWEZNQCLSA-N 1 2 384.442 4.456 20 0 GIADLO COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000191038877 823641106 /nfs/dbraw/zinc/64/11/06/823641106.db2.gz FAZQYKSJKAQXIY-NVXWUHKLSA-N 1 2 397.862 4.285 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)cs1 ZINC000191139615 823653087 /nfs/dbraw/zinc/65/30/87/823653087.db2.gz OXMCDZKOUWLUQB-GJZGRUSLSA-N 1 2 387.549 4.124 20 0 GIADLO Cc1csc(Sc2ccc(NC(=O)NCCCCn3cc[nH+]c3)cc2)n1 ZINC000063162602 823653647 /nfs/dbraw/zinc/65/36/47/823653647.db2.gz OASLFFDLAUQLNH-UHFFFAOYSA-N 1 2 387.534 4.401 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2O)C[C@@H]1n1cc[nH+]c1 ZINC000125184777 823657602 /nfs/dbraw/zinc/65/76/02/823657602.db2.gz ZTYRSUMNBYCVFL-GCJKJVERSA-N 1 2 389.499 4.097 20 0 GIADLO CCOc1cccc([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000063323149 823662690 /nfs/dbraw/zinc/66/26/90/823662690.db2.gz SBPMAVGITXISTL-QGZVFWFLSA-N 1 2 382.508 4.031 20 0 GIADLO O=C(C[N@@H+](CCC(F)(F)F)Cc1ccccc1)N1CCc2sccc2C1 ZINC000191245225 823663028 /nfs/dbraw/zinc/66/30/28/823663028.db2.gz IULSVFLGCOAGAS-UHFFFAOYSA-N 1 2 382.451 4.087 20 0 GIADLO O=C(C[N@H+](CCC(F)(F)F)Cc1ccccc1)N1CCc2sccc2C1 ZINC000191245225 823663032 /nfs/dbraw/zinc/66/30/32/823663032.db2.gz IULSVFLGCOAGAS-UHFFFAOYSA-N 1 2 382.451 4.087 20 0 GIADLO Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c(Br)n1 ZINC000125264350 823663297 /nfs/dbraw/zinc/66/32/97/823663297.db2.gz YJGBXXYYBGLSPM-UHFFFAOYSA-N 1 2 391.656 4.244 20 0 GIADLO C[C@@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccc(Br)cc1 ZINC000125270509 823663862 /nfs/dbraw/zinc/66/38/62/823663862.db2.gz NOCDPBFPAYXJTQ-HNNXBMFYSA-N 1 2 390.325 4.346 20 0 GIADLO COc1ccc(CCC[N@H+](C)Cn2nc(-c3ccccc3)n(C)c2=S)cc1 ZINC000125281934 823664719 /nfs/dbraw/zinc/66/47/19/823664719.db2.gz UFLGAWSESZSVKF-UHFFFAOYSA-N 1 2 382.533 4.149 20 0 GIADLO COc1ccc(CCC[N@@H+](C)Cn2nc(-c3ccccc3)n(C)c2=S)cc1 ZINC000125281934 823664721 /nfs/dbraw/zinc/66/47/21/823664721.db2.gz UFLGAWSESZSVKF-UHFFFAOYSA-N 1 2 382.533 4.149 20 0 GIADLO COc1cc(Cl)c(Cl)cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000191290246 823667972 /nfs/dbraw/zinc/66/79/72/823667972.db2.gz RYDBPJDQFUSZJB-UHFFFAOYSA-N 1 2 395.290 4.188 20 0 GIADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191299645 823669040 /nfs/dbraw/zinc/66/90/40/823669040.db2.gz ZLLDWHNACILNHM-JTQLQIEISA-N 1 2 392.397 4.108 20 0 GIADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191299645 823669044 /nfs/dbraw/zinc/66/90/44/823669044.db2.gz ZLLDWHNACILNHM-JTQLQIEISA-N 1 2 392.397 4.108 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCCc2sccc21 ZINC000125382965 823672196 /nfs/dbraw/zinc/67/21/96/823672196.db2.gz SOZJCYBSZGIRIQ-LJQANCHMSA-N 1 2 383.561 4.328 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000125417560 823674421 /nfs/dbraw/zinc/67/44/21/823674421.db2.gz MJBGZIVNRQQFJB-HXOBKFHXSA-N 1 2 397.482 4.217 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c2cccs2)cc1 ZINC000125482046 823679782 /nfs/dbraw/zinc/67/97/82/823679782.db2.gz IKHLMFXDJYNSIB-NFBKMPQASA-N 1 2 391.540 4.494 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)c2cccs2)cc1 ZINC000125482046 823679784 /nfs/dbraw/zinc/67/97/84/823679784.db2.gz IKHLMFXDJYNSIB-NFBKMPQASA-N 1 2 391.540 4.494 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125507839 823681568 /nfs/dbraw/zinc/68/15/68/823681568.db2.gz QWHIHIDGQMHJGZ-BTPDRXCOSA-N 1 2 378.303 4.403 20 0 GIADLO COC[C@@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(OC3CCCCC3)CC2)c1C ZINC000125541672 823683846 /nfs/dbraw/zinc/68/38/46/823683846.db2.gz AZKGIIWJHRAHAU-GOSISDBHSA-N 1 2 390.568 4.309 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCOc2ccc(SC)cc2)n1 ZINC000191455813 823687247 /nfs/dbraw/zinc/68/72/47/823687247.db2.gz MJURQXDKCBTLCZ-QGZVFWFLSA-N 1 2 392.546 4.258 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCOc2ccc(SC)cc2)n1 ZINC000191455813 823687250 /nfs/dbraw/zinc/68/72/50/823687250.db2.gz MJURQXDKCBTLCZ-QGZVFWFLSA-N 1 2 392.546 4.258 20 0 GIADLO CCCOc1cc(F)ccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000125582566 823687388 /nfs/dbraw/zinc/68/73/88/823687388.db2.gz WXRUKNXIRITVKC-UHFFFAOYSA-N 1 2 396.466 4.224 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NCc3cc4cc(OC)ccc4o3)CCCC2)no1 ZINC000125590980 823688055 /nfs/dbraw/zinc/68/80/55/823688055.db2.gz WTVNULPTLCAUKC-UHFFFAOYSA-N 1 2 398.507 4.225 20 0 GIADLO CCCCN(Cc1ccccc1F)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000063787069 823695897 /nfs/dbraw/zinc/69/58/97/823695897.db2.gz RZKRYHNLIOIWJQ-UHFFFAOYSA-N 1 2 384.499 4.333 20 0 GIADLO S=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc(Br)c1 ZINC000063790339 823696399 /nfs/dbraw/zinc/69/63/99/823696399.db2.gz RPSKLWJWCPLBAC-UHFFFAOYSA-N 1 2 387.306 4.121 20 0 GIADLO Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000191533301 823696743 /nfs/dbraw/zinc/69/67/43/823696743.db2.gz HNMZITOUVMMETI-AWEZNQCLSA-N 1 2 377.423 4.425 20 0 GIADLO CN1CC[NH+](Cc2cccc(NC(=S)Nc3ccc(F)c(Cl)c3)c2)CC1 ZINC000063794232 823697077 /nfs/dbraw/zinc/69/70/77/823697077.db2.gz WMKHCRUNXSNNRC-UHFFFAOYSA-N 1 2 392.931 4.035 20 0 GIADLO C[C@H](c1nnc(S[C@@H]2CCOC(C)(C)C2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000412983386 823697313 /nfs/dbraw/zinc/69/73/13/823697313.db2.gz NHPFULMCOXNWHX-CZUORRHYSA-N 1 2 378.517 4.079 20 0 GIADLO COc1ccc(-c2ccc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c(F)c2)cc1 ZINC000125708693 823698784 /nfs/dbraw/zinc/69/87/84/823698784.db2.gz HBGWVYIYWCBSMD-ZHRRBRCNSA-N 1 2 393.462 4.421 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc(F)cc(C(F)(F)F)c1 ZINC000125710676 823698965 /nfs/dbraw/zinc/69/89/65/823698965.db2.gz SBRPMXMVFOVIAY-UHFFFAOYSA-N 1 2 393.340 4.372 20 0 GIADLO C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000125710932 823698990 /nfs/dbraw/zinc/69/89/90/823698990.db2.gz JXZFJPHVWQNUPM-INIZCTEOSA-N 1 2 399.491 4.468 20 0 GIADLO COc1cccc(-c2noc([C@H](C)NCc3c[nH+]c(C)n3-c3ccccc3)n2)c1 ZINC000191565971 823700861 /nfs/dbraw/zinc/70/08/61/823700861.db2.gz BXTRVYBUKKGXIF-HNNXBMFYSA-N 1 2 389.459 4.090 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3cccc(Oc4ccccc4)c3)[nH+]cn2)C1 ZINC000413056687 823702009 /nfs/dbraw/zinc/70/20/09/823702009.db2.gz VMGDKQZEVAVUQK-MJGOQNOKSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3cccc(Oc4ccccc4)c3)nc[nH+]2)C1 ZINC000413056687 823702011 /nfs/dbraw/zinc/70/20/11/823702011.db2.gz VMGDKQZEVAVUQK-MJGOQNOKSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000191571885 823702098 /nfs/dbraw/zinc/70/20/98/823702098.db2.gz XIJONOBYYDHOSE-VXGBXAGGSA-N 1 2 398.429 4.454 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N2CCCN(c3nccs3)CC2)c1 ZINC000413077679 823703882 /nfs/dbraw/zinc/70/38/82/823703882.db2.gz BOZLOJPPIZGJPK-UHFFFAOYSA-N 1 2 389.322 4.171 20 0 GIADLO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191597221 823707355 /nfs/dbraw/zinc/70/73/55/823707355.db2.gz NLBLQLRUAMYSBT-DLBZAZTESA-N 1 2 392.503 4.291 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccccc3Oc3ccccc3)[nH+]cn2)C1 ZINC000413105558 823707986 /nfs/dbraw/zinc/70/79/86/823707986.db2.gz ZHIPTLZKADIRGX-MJGOQNOKSA-N 1 2 390.487 4.088 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccccc3Oc3ccccc3)nc[nH+]2)C1 ZINC000413105558 823707988 /nfs/dbraw/zinc/70/79/88/823707988.db2.gz ZHIPTLZKADIRGX-MJGOQNOKSA-N 1 2 390.487 4.088 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413123848 823710619 /nfs/dbraw/zinc/71/06/19/823710619.db2.gz NKQWSHLDPSHVCM-NWDGAFQWSA-N 1 2 387.484 4.013 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413123848 823710623 /nfs/dbraw/zinc/71/06/23/823710623.db2.gz NKQWSHLDPSHVCM-NWDGAFQWSA-N 1 2 387.484 4.013 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000574382454 823715093 /nfs/dbraw/zinc/71/50/93/823715093.db2.gz CLBCJQGKWWIPJP-UHFFFAOYSA-N 1 2 396.457 4.005 20 0 GIADLO O=C(C[N@H+]1CC[C@H](O)CC12CCC2)Nc1ccccc1Sc1ccccc1 ZINC000574390391 823717993 /nfs/dbraw/zinc/71/79/93/823717993.db2.gz PFRXDIZYSDCFTI-KRWDZBQOSA-N 1 2 382.529 4.156 20 0 GIADLO O=C(C[N@@H+]1CC[C@H](O)CC12CCC2)Nc1ccccc1Sc1ccccc1 ZINC000574390391 823717998 /nfs/dbraw/zinc/71/79/98/823717998.db2.gz PFRXDIZYSDCFTI-KRWDZBQOSA-N 1 2 382.529 4.156 20 0 GIADLO O=C(Nc1c(F)cc(F)cc1F)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000125818881 823718807 /nfs/dbraw/zinc/71/88/07/823718807.db2.gz OPGUTAJKORBNST-ZWKOTPCHSA-N 1 2 386.377 4.351 20 0 GIADLO CO[C@H](C)c1nc(CNc2[nH+]ccc3cc(Br)ccc32)cs1 ZINC000413182368 823722894 /nfs/dbraw/zinc/72/28/94/823722894.db2.gz GGMDFGUEYHTPDO-SNVBAGLBSA-N 1 2 378.295 4.195 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C[C@@H](C)O1 ZINC000413183888 823723247 /nfs/dbraw/zinc/72/32/47/823723247.db2.gz WFQWMYMDBKUJEJ-FQBFJXBRSA-N 1 2 378.516 4.428 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)C[C@@H](C)O1 ZINC000413184638 823723383 /nfs/dbraw/zinc/72/33/83/823723383.db2.gz YOVMSYGUIDBCSP-ZCFPFICJSA-N 1 2 382.479 4.119 20 0 GIADLO O=C(Nc1cc2c(cc1Cl)OCCO2)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461868895 823729654 /nfs/dbraw/zinc/72/96/54/823729654.db2.gz WAIQKTUMLDDJSH-SFHVURJKSA-N 1 2 386.879 4.104 20 0 GIADLO O=C(Nc1cc2c(cc1Cl)OCCO2)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000461868895 823729660 /nfs/dbraw/zinc/72/96/60/823729660.db2.gz WAIQKTUMLDDJSH-SFHVURJKSA-N 1 2 386.879 4.104 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000125882209 823735977 /nfs/dbraw/zinc/73/59/77/823735977.db2.gz JXKWFIYMXJQJGG-LPHOPBHVSA-N 1 2 398.869 4.079 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@H](c2ccsc2)C1)Nc1c(Cl)cccc1Cl ZINC000125882327 823736256 /nfs/dbraw/zinc/73/62/56/823736256.db2.gz MAQXMCRKWSSYOQ-HNNXBMFYSA-N 1 2 385.316 4.457 20 0 GIADLO O=C(CC[N@H+]1CCO[C@H](c2ccsc2)C1)Nc1c(Cl)cccc1Cl ZINC000125882327 823736263 /nfs/dbraw/zinc/73/62/63/823736263.db2.gz MAQXMCRKWSSYOQ-HNNXBMFYSA-N 1 2 385.316 4.457 20 0 GIADLO Cc1ncc(CN2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cn1 ZINC000574468749 823738045 /nfs/dbraw/zinc/73/80/45/823738045.db2.gz URIAKJKGGIWNPF-QHCPKHFHSA-N 1 2 392.934 4.346 20 0 GIADLO O[C@@H]([C@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1)C(F)(F)F ZINC000413267451 823741431 /nfs/dbraw/zinc/74/14/31/823741431.db2.gz POCBOUCADBJUCU-FZMZJTMJSA-N 1 2 389.215 4.137 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc(C(F)F)nc2ccc(Cl)cc21 ZINC000413267541 823741681 /nfs/dbraw/zinc/74/16/81/823741681.db2.gz PVTDJPMXYYAYRI-UHFFFAOYSA-N 1 2 377.826 4.390 20 0 GIADLO Cn1c2ccccc2nc1[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000125913348 823742431 /nfs/dbraw/zinc/74/24/31/823742431.db2.gz QSWMHTHGDKCQTN-QFIPXVFZSA-N 1 2 388.446 4.030 20 0 GIADLO C[C@H]1CCN(C(=O)COc2ccccc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000125917093 823743735 /nfs/dbraw/zinc/74/37/35/823743735.db2.gz QSKHRYCROZDYRD-RXVVDRJESA-N 1 2 375.472 4.039 20 0 GIADLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1CC[S@@](=O)c1ccccc1 ZINC000125931374 823747470 /nfs/dbraw/zinc/74/74/70/823747470.db2.gz VNHKHDIIBJTRJX-DWXRJYCRSA-N 1 2 393.984 4.446 20 0 GIADLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1CC[S@@](=O)c1ccccc1 ZINC000125931374 823747476 /nfs/dbraw/zinc/74/74/76/823747476.db2.gz VNHKHDIIBJTRJX-DWXRJYCRSA-N 1 2 393.984 4.446 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(-c4ccccc4)cc3F)[nH+]cn2)C1 ZINC000413301142 823748048 /nfs/dbraw/zinc/74/80/48/823748048.db2.gz KMTVTIJVEFMLSH-OXQOHEQNSA-N 1 2 392.478 4.102 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(-c4ccccc4)cc3F)nc[nH+]2)C1 ZINC000413301142 823748055 /nfs/dbraw/zinc/74/80/55/823748055.db2.gz KMTVTIJVEFMLSH-OXQOHEQNSA-N 1 2 392.478 4.102 20 0 GIADLO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000125942145 823749669 /nfs/dbraw/zinc/74/96/69/823749669.db2.gz ZCBVLOPXXUMHKB-SFHVURJKSA-N 1 2 398.942 4.419 20 0 GIADLO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000125942145 823749674 /nfs/dbraw/zinc/74/96/74/823749674.db2.gz ZCBVLOPXXUMHKB-SFHVURJKSA-N 1 2 398.942 4.419 20 0 GIADLO O=C(CCCc1ccccc1Br)NCCCCNc1cccc[nH+]1 ZINC000163800433 823750015 /nfs/dbraw/zinc/75/00/15/823750015.db2.gz FQDNZVVFBCJVGU-UHFFFAOYSA-N 1 2 390.325 4.175 20 0 GIADLO CC(C)(C[C@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1)C(N)=O ZINC000413311876 823749986 /nfs/dbraw/zinc/74/99/86/823749986.db2.gz JGFPZDMGPIRMCE-CYBMUJFWSA-N 1 2 390.325 4.115 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N[C@@H]2CCO[C@@H](c3ccccn3)C2)c1 ZINC000413314995 823750583 /nfs/dbraw/zinc/75/05/83/823750583.db2.gz JXCVJTJYLISSDD-CRAIPNDOSA-N 1 2 384.277 4.146 20 0 GIADLO CC(C)OCCOC1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413331719 823754043 /nfs/dbraw/zinc/75/40/43/823754043.db2.gz ZOVQXCKDCVEIRX-UHFFFAOYSA-N 1 2 393.325 4.408 20 0 GIADLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccc(OC(F)(F)F)cc3)CC2)c(C)o1 ZINC000064142702 823754158 /nfs/dbraw/zinc/75/41/58/823754158.db2.gz WMECNBKPRFNWOE-CQSZACIVSA-N 1 2 396.409 4.314 20 0 GIADLO C[C@H](NC(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1)c1ccccc1 ZINC000126024777 823768882 /nfs/dbraw/zinc/76/88/82/823768882.db2.gz QKHIRSOVPDFPJX-UUOWRZLLSA-N 1 2 398.510 4.130 20 0 GIADLO OC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Br)CC[C@H]1C(F)(F)F ZINC000574606928 823778945 /nfs/dbraw/zinc/77/89/45/823778945.db2.gz QBNFDRIPXYXMGQ-CMPLNLGQSA-N 1 2 386.639 4.095 20 0 GIADLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Br)CC[C@H]1C(F)(F)F ZINC000574606928 823778947 /nfs/dbraw/zinc/77/89/47/823778947.db2.gz QBNFDRIPXYXMGQ-CMPLNLGQSA-N 1 2 386.639 4.095 20 0 GIADLO C[C@@]1(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C[C@H]1c1ccccc1 ZINC000574609825 823780031 /nfs/dbraw/zinc/78/00/31/823780031.db2.gz KNEHXADYRQSZDB-IZIIKQMZSA-N 1 2 392.547 4.302 20 0 GIADLO CCCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000462008465 823792673 /nfs/dbraw/zinc/79/26/73/823792673.db2.gz OOORTEZNEOWQKC-SFTDATJTSA-N 1 2 398.551 4.057 20 0 GIADLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c1 ZINC000164323927 823796236 /nfs/dbraw/zinc/79/62/36/823796236.db2.gz QVJGHUMDFHBQIQ-GOSISDBHSA-N 1 2 379.504 4.384 20 0 GIADLO COc1ccc(CCCCC(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000126138191 823797243 /nfs/dbraw/zinc/79/72/43/823797243.db2.gz AIEPLHZUSGNEPF-UHFFFAOYSA-N 1 2 396.531 4.187 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccccc2SCc2cscn2)C[C@H]1n1cc[nH+]c1 ZINC000126145389 823799303 /nfs/dbraw/zinc/79/93/03/823799303.db2.gz SZKSXMNKOWEFJK-CRAIPNDOSA-N 1 2 398.557 4.355 20 0 GIADLO Cc1ccc(C[C@H](C)NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1 ZINC000574709014 823804990 /nfs/dbraw/zinc/80/49/90/823804990.db2.gz BBTVOZUOUFBGDA-IBGZPJMESA-N 1 2 394.563 4.356 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000191931753 823814896 /nfs/dbraw/zinc/81/48/96/823814896.db2.gz QABVRCUZBAEXMR-UHFFFAOYSA-N 1 2 376.888 4.246 20 0 GIADLO Cc1cccc([C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccccn2)c1 ZINC000126221110 823815041 /nfs/dbraw/zinc/81/50/41/823815041.db2.gz OSRNXZACPYSIAS-HSZRJFAPSA-N 1 2 397.482 4.165 20 0 GIADLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000462072485 823819640 /nfs/dbraw/zinc/81/96/40/823819640.db2.gz FGNRTUVKTNEMPP-CQSZACIVSA-N 1 2 388.316 4.262 20 0 GIADLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000462072485 823819648 /nfs/dbraw/zinc/81/96/48/823819648.db2.gz FGNRTUVKTNEMPP-CQSZACIVSA-N 1 2 388.316 4.262 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000126247640 823820213 /nfs/dbraw/zinc/82/02/13/823820213.db2.gz JUTKFQSRSYUDCM-UHFFFAOYSA-N 1 2 379.287 4.386 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc(Br)c1F ZINC000191959907 823825200 /nfs/dbraw/zinc/82/52/00/823825200.db2.gz NQLSGGVTFJWIFW-UHFFFAOYSA-N 1 2 398.301 4.283 20 0 GIADLO COc1ccccc1C[C@@H](C)CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126295208 823832791 /nfs/dbraw/zinc/83/27/91/823832791.db2.gz ZQWSBQQKHOLQAF-GOSISDBHSA-N 1 2 396.531 4.043 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cc(O)ccc1C(F)(F)F ZINC000574846681 823841295 /nfs/dbraw/zinc/84/12/95/823841295.db2.gz MEFBRTNUJFXBHK-UHFFFAOYSA-N 1 2 395.768 4.180 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)no2)cc1 ZINC000192042040 823841565 /nfs/dbraw/zinc/84/15/65/823841565.db2.gz HGRSVLIOFPFCPG-IEBWSBKVSA-N 1 2 385.851 4.018 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)cc3)no2)cc1 ZINC000192042056 823841578 /nfs/dbraw/zinc/84/15/78/823841578.db2.gz HGRSVLIOFPFCPG-HKUYNNGSSA-N 1 2 385.851 4.018 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(-c2ccco2)nc1C ZINC000126340300 823844010 /nfs/dbraw/zinc/84/40/10/823844010.db2.gz ZHXKWMTXPCLWLI-UHFFFAOYSA-N 1 2 391.471 4.043 20 0 GIADLO Fc1cc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)c(F)cc1Cl ZINC000574860118 823846013 /nfs/dbraw/zinc/84/60/13/823846013.db2.gz CBMSAYODKJTYHX-UHFFFAOYSA-N 1 2 387.257 4.398 20 0 GIADLO CCOc1ccc(NC(=O)NCCCNc2cccc[nH+]2)c(C(F)(F)F)c1 ZINC000064563762 823847200 /nfs/dbraw/zinc/84/72/00/823847200.db2.gz VKCBGSONKNITBB-UHFFFAOYSA-N 1 2 382.386 4.123 20 0 GIADLO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192085476 823855056 /nfs/dbraw/zinc/85/50/56/823855056.db2.gz OWSNGAJCWBPRSF-ULFGMLNVSA-N 1 2 397.878 4.216 20 0 GIADLO CN(C(=O)C[N@H+](C)CCC(F)(F)F)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000064634939 823855773 /nfs/dbraw/zinc/85/57/73/823855773.db2.gz QVGQKVMYKWITIS-LJQANCHMSA-N 1 2 382.401 4.258 20 0 GIADLO CN(C(=O)C[N@@H+](C)CCC(F)(F)F)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000064634939 823855781 /nfs/dbraw/zinc/85/57/81/823855781.db2.gz QVGQKVMYKWITIS-LJQANCHMSA-N 1 2 382.401 4.258 20 0 GIADLO Cc1cc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cnc1Cl ZINC000126399734 823857117 /nfs/dbraw/zinc/85/71/17/823857117.db2.gz WRTXFAWHVNMBPY-MSOLQXFVSA-N 1 2 381.867 4.290 20 0 GIADLO C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1cccc(F)c1F ZINC000165911743 823865870 /nfs/dbraw/zinc/86/58/70/823865870.db2.gz PNOAGOZETFTPQU-ONTRVFCTSA-N 1 2 396.441 4.450 20 0 GIADLO Cc1ccc(CC[C@@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)o1 ZINC000462202957 823868758 /nfs/dbraw/zinc/86/87/58/823868758.db2.gz JGWGHEDUGLJJFF-WBVHZDCISA-N 1 2 375.538 4.059 20 0 GIADLO Cc1ccc(CC[C@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)o1 ZINC000462202954 823868955 /nfs/dbraw/zinc/86/89/55/823868955.db2.gz JGWGHEDUGLJJFF-DOTOQJQBSA-N 1 2 375.538 4.059 20 0 GIADLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccc(F)cc1F ZINC000462215908 823876624 /nfs/dbraw/zinc/87/66/24/823876624.db2.gz YQPGPDPVKAYCDI-KGLIPLIRSA-N 1 2 379.476 4.176 20 0 GIADLO Cc1cc([C@@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1F ZINC000462229858 823884133 /nfs/dbraw/zinc/88/41/33/823884133.db2.gz YDQREDSCPINGSG-CVEARBPZSA-N 1 2 375.513 4.345 20 0 GIADLO Cc1cc([C@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1F ZINC000462229861 823884232 /nfs/dbraw/zinc/88/42/32/823884232.db2.gz YDQREDSCPINGSG-JKSUJKDBSA-N 1 2 375.513 4.345 20 0 GIADLO Fc1cc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)ccc1Br ZINC000462232793 823885979 /nfs/dbraw/zinc/88/59/79/823885979.db2.gz BHJXMXVIEJEAGM-UHFFFAOYSA-N 1 2 380.261 4.228 20 0 GIADLO COc1ccccc1Nc1nn(C[N@@H+]2CCSC[C@H](C)C2)c(=S)s1 ZINC000192178473 823893645 /nfs/dbraw/zinc/89/36/45/823893645.db2.gz CFASDBXOXCHOGT-GFCCVEGCSA-N 1 2 382.580 4.069 20 0 GIADLO COc1ccccc1Nc1nn(C[N@H+]2CCSC[C@H](C)C2)c(=S)s1 ZINC000192178473 823893655 /nfs/dbraw/zinc/89/36/55/823893655.db2.gz CFASDBXOXCHOGT-GFCCVEGCSA-N 1 2 382.580 4.069 20 0 GIADLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1OCC ZINC000414056857 823896879 /nfs/dbraw/zinc/89/68/79/823896879.db2.gz DYMGZHOQOBQYPE-OLZOCXBDSA-N 1 2 378.494 4.139 20 0 GIADLO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1csc(-c2ccccc2)n1 ZINC000414067518 823900171 /nfs/dbraw/zinc/90/01/71/823900171.db2.gz ALASGDRQBGRRTD-SFHVURJKSA-N 1 2 385.577 4.496 20 0 GIADLO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)cc1 ZINC000414100627 823909689 /nfs/dbraw/zinc/90/96/89/823909689.db2.gz RZLBMZRMHXOJCV-HNNXBMFYSA-N 1 2 386.542 4.455 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000192249379 823916575 /nfs/dbraw/zinc/91/65/75/823916575.db2.gz ACRYVZKWMIUQSJ-UHFFFAOYSA-N 1 2 385.899 4.041 20 0 GIADLO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000414135461 823917035 /nfs/dbraw/zinc/91/70/35/823917035.db2.gz HJKUJKRQWLJVRQ-CQSZACIVSA-N 1 2 398.532 4.091 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(Br)c1C ZINC000192252722 823917724 /nfs/dbraw/zinc/91/77/24/823917724.db2.gz IVMSZYQCEQJSLF-UHFFFAOYSA-N 1 2 378.314 4.069 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000192255226 823918203 /nfs/dbraw/zinc/91/82/03/823918203.db2.gz SKXSABVKJMUJSL-MRXNPFEDSA-N 1 2 377.916 4.113 20 0 GIADLO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000170250630 823918566 /nfs/dbraw/zinc/91/85/66/823918566.db2.gz KAUVEALAGVEYAL-VIFPVBQESA-N 1 2 377.288 4.122 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000192258427 823919942 /nfs/dbraw/zinc/91/99/42/823919942.db2.gz DHEZVVPZDFVRDY-UHFFFAOYSA-N 1 2 398.532 4.130 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Cl)ccc1Br ZINC000192258618 823919975 /nfs/dbraw/zinc/91/99/75/823919975.db2.gz YJNNRKPUJITEND-UHFFFAOYSA-N 1 2 398.732 4.414 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1cc(Br)cs1 ZINC000192259046 823920198 /nfs/dbraw/zinc/92/01/98/823920198.db2.gz FEZOBGRHJQNMDV-UHFFFAOYSA-N 1 2 398.370 4.141 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c1C ZINC000064998832 823923266 /nfs/dbraw/zinc/92/32/66/823923266.db2.gz BTYCPTPKCNJLST-UKWGHVSLSA-N 1 2 394.519 4.005 20 0 GIADLO O=C(CC[N@@H+]1CCc2c3ccccc3[nH]c2C1)Nc1ccccc1Br ZINC000126675079 823924922 /nfs/dbraw/zinc/92/49/22/823924922.db2.gz QOSWXMMAHYSDBD-UHFFFAOYSA-N 1 2 398.304 4.317 20 0 GIADLO O=C(CC[N@H+]1CCc2c3ccccc3[nH]c2C1)Nc1ccccc1Br ZINC000126675079 823924928 /nfs/dbraw/zinc/92/49/28/823924928.db2.gz QOSWXMMAHYSDBD-UHFFFAOYSA-N 1 2 398.304 4.317 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651072 823927522 /nfs/dbraw/zinc/92/75/22/823927522.db2.gz FRTDRCNAWPNVFI-CYBMUJFWSA-N 1 2 377.410 4.007 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCc3cc(F)ccc3F)n2)C1 ZINC000065043964 823929585 /nfs/dbraw/zinc/92/95/85/823929585.db2.gz IPJSUXZASRSKHG-ZDUSSCGKSA-N 1 2 379.476 4.225 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCc3cc(F)ccc3F)n2)C1 ZINC000065043964 823929597 /nfs/dbraw/zinc/92/95/97/823929597.db2.gz IPJSUXZASRSKHG-ZDUSSCGKSA-N 1 2 379.476 4.225 20 0 GIADLO O=C(CSc1ccc(Cl)cc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000126703702 823931194 /nfs/dbraw/zinc/93/11/94/823931194.db2.gz YEGKAPOPJPCXHC-UHFFFAOYSA-N 1 2 375.925 4.134 20 0 GIADLO CCOc1ccccc1Oc1ccc(CNc2cc(N3CCCC3)nc[nH+]2)cn1 ZINC000192282452 823932013 /nfs/dbraw/zinc/93/20/13/823932013.db2.gz OEDONBHWIGROPL-UHFFFAOYSA-N 1 2 391.475 4.275 20 0 GIADLO CCOc1ccccc1Oc1ccc(CNc2cc(N3CCCC3)[nH+]cn2)cn1 ZINC000192282452 823932023 /nfs/dbraw/zinc/93/20/23/823932023.db2.gz OEDONBHWIGROPL-UHFFFAOYSA-N 1 2 391.475 4.275 20 0 GIADLO C[C@@H](CC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)n1cc[nH+]c1 ZINC000575186051 823933676 /nfs/dbraw/zinc/93/36/76/823933676.db2.gz SEGQKVLZROQFGR-UGSOOPFHSA-N 1 2 376.298 4.254 20 0 GIADLO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+]Cc3cocn3)cc2)cc1 ZINC000192287104 823934081 /nfs/dbraw/zinc/93/40/81/823934081.db2.gz AUQCINVJCYEXPK-UHFFFAOYSA-N 1 2 379.460 4.071 20 0 GIADLO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ncc(-c2ccccc2)o1 ZINC000126722178 823935734 /nfs/dbraw/zinc/93/57/34/823935734.db2.gz VOWWYLHUOREYKT-GUYCJALGSA-N 1 2 383.398 4.076 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1occc1COc1ccccc1 ZINC000126728363 823937004 /nfs/dbraw/zinc/93/70/04/823937004.db2.gz ZPTMSCTWIUMALC-UHFFFAOYSA-N 1 2 391.471 4.174 20 0 GIADLO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000575203030 823937689 /nfs/dbraw/zinc/93/76/89/823937689.db2.gz LTEXFYGUOPBWBE-GOEBONIOSA-N 1 2 379.291 4.162 20 0 GIADLO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000575203030 823937700 /nfs/dbraw/zinc/93/77/00/823937700.db2.gz LTEXFYGUOPBWBE-GOEBONIOSA-N 1 2 379.291 4.162 20 0 GIADLO c1ccc2nc(N3CCCCC3)c(C[NH2+]Cc3noc4c3CCCC4)cc2c1 ZINC000575212218 823940508 /nfs/dbraw/zinc/94/05/08/823940508.db2.gz MAQBMYZBZMZHLF-UHFFFAOYSA-N 1 2 376.504 4.382 20 0 GIADLO CCc1ncc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000065094629 823941592 /nfs/dbraw/zinc/94/15/92/823941592.db2.gz HVDHWEYCSNMSAR-UHFFFAOYSA-N 1 2 391.540 4.253 20 0 GIADLO CC[C@H](C)[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000575218075 823943143 /nfs/dbraw/zinc/94/31/43/823943143.db2.gz QJNTYEBLEMRUGW-HOTGVXAUSA-N 1 2 392.341 4.357 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCc1ccc2ccccc2c1 ZINC000192324425 823946701 /nfs/dbraw/zinc/94/67/01/823946701.db2.gz LSBGTAFJNDXNPZ-UHFFFAOYSA-N 1 2 378.520 4.263 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCc1csc2ccccc12 ZINC000192330063 823947904 /nfs/dbraw/zinc/94/79/04/823947904.db2.gz LAQXOEBFYKBCGO-UHFFFAOYSA-N 1 2 384.549 4.325 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1)c1csnn1 ZINC000414292934 823953061 /nfs/dbraw/zinc/95/30/61/823953061.db2.gz CLDFUDRNFHYACX-HUUCEWRRSA-N 1 2 379.489 4.177 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000192342904 823953797 /nfs/dbraw/zinc/95/37/97/823953797.db2.gz CNWIDXDMAQFDNJ-UHFFFAOYSA-N 1 2 390.959 4.498 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000192348403 823955074 /nfs/dbraw/zinc/95/50/74/823955074.db2.gz USVJOERSGYQMMY-KRWDZBQOSA-N 1 2 390.915 4.044 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000192351522 823956097 /nfs/dbraw/zinc/95/60/97/823956097.db2.gz BXNCTRQWRGSVST-IRLDBZIGSA-N 1 2 398.551 4.035 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1oc2ccc(F)cc2c1C ZINC000192352514 823956921 /nfs/dbraw/zinc/95/69/21/823956921.db2.gz WFBAWZUFEKNFAI-UHFFFAOYSA-N 1 2 386.471 4.261 20 0 GIADLO Cc1cc(C)c(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)c(C)[nH+]1 ZINC000170750690 823960614 /nfs/dbraw/zinc/96/06/14/823960614.db2.gz LNPWSJGIDAHDKQ-UHFFFAOYSA-N 1 2 380.517 4.472 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000414335812 823960882 /nfs/dbraw/zinc/96/08/82/823960882.db2.gz YQCZCRHVICFAOS-XJKSGUPXSA-N 1 2 391.512 4.353 20 0 GIADLO CCc1ncc(C[NH2+][C@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cn1 ZINC000414358273 823964467 /nfs/dbraw/zinc/96/44/67/823964467.db2.gz BFXAIWRJKLTVKZ-JOCHJYFZSA-N 1 2 381.451 4.075 20 0 GIADLO C[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)CC(F)(F)F ZINC000414408548 823974112 /nfs/dbraw/zinc/97/41/12/823974112.db2.gz MQPVCSOCAMBOSQ-NEPJUHHUSA-N 1 2 378.464 4.085 20 0 GIADLO C[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)CC(F)(F)F ZINC000414408548 823974122 /nfs/dbraw/zinc/97/41/22/823974122.db2.gz MQPVCSOCAMBOSQ-NEPJUHHUSA-N 1 2 378.464 4.085 20 0 GIADLO Cc1nn(C)c2ncc(C[N@@H+]3CCCC[C@H]3c3nc(-c4ccccc4)no3)cc12 ZINC000170838155 823985683 /nfs/dbraw/zinc/98/56/83/823985683.db2.gz LDUMSNVZFCSTGK-IBGZPJMESA-N 1 2 388.475 4.054 20 0 GIADLO Cc1nn(C)c2ncc(C[N@H+]3CCCC[C@H]3c3nc(-c4ccccc4)no3)cc12 ZINC000170838155 823985686 /nfs/dbraw/zinc/98/56/86/823985686.db2.gz LDUMSNVZFCSTGK-IBGZPJMESA-N 1 2 388.475 4.054 20 0 GIADLO CS(=O)(=O)c1ccccc1C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000414506114 823997514 /nfs/dbraw/zinc/99/75/14/823997514.db2.gz MOTKJWJAEARONY-UHFFFAOYSA-N 1 2 393.936 4.355 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000170894723 824002306 /nfs/dbraw/zinc/00/23/06/824002306.db2.gz VBPYTKANFNYRKW-UHFFFAOYSA-N 1 2 396.441 4.084 20 0 GIADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1OCc1cccs1 ZINC000575824130 824004192 /nfs/dbraw/zinc/00/41/92/824004192.db2.gz GFBQBEVVIJYLND-UHFFFAOYSA-N 1 2 390.468 4.219 20 0 GIADLO CSc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000192472878 824004588 /nfs/dbraw/zinc/00/45/88/824004588.db2.gz KHWZRLFJNDTJHF-UHFFFAOYSA-N 1 2 386.492 4.081 20 0 GIADLO Fc1cccc(Br)c1C[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000192472935 824004607 /nfs/dbraw/zinc/00/46/07/824004607.db2.gz DZHBUTKHDWOZSC-UHFFFAOYSA-N 1 2 393.178 4.214 20 0 GIADLO CN(C[C@@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C1)C(=O)OC(C)(C)C ZINC000170930175 824007470 /nfs/dbraw/zinc/00/74/70/824007470.db2.gz PRYSSXHVJJCVEE-AWEZNQCLSA-N 1 2 394.466 4.120 20 0 GIADLO CN(C[C@@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1)C(=O)OC(C)(C)C ZINC000170930175 824007472 /nfs/dbraw/zinc/00/74/72/824007472.db2.gz PRYSSXHVJJCVEE-AWEZNQCLSA-N 1 2 394.466 4.120 20 0 GIADLO Cc1oc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1C1CC1 ZINC000575841447 824009696 /nfs/dbraw/zinc/00/96/96/824009696.db2.gz QZHJEAGWCOYHPJ-RDJZCZTQSA-N 1 2 392.862 4.220 20 0 GIADLO Cc1oc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1C1CC1 ZINC000575841447 824009705 /nfs/dbraw/zinc/00/97/05/824009705.db2.gz QZHJEAGWCOYHPJ-RDJZCZTQSA-N 1 2 392.862 4.220 20 0 GIADLO O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000192493247 824010306 /nfs/dbraw/zinc/01/03/06/824010306.db2.gz GPANKLWCJMEICL-UHFFFAOYSA-N 1 2 397.482 4.253 20 0 GIADLO CCn1c(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)nc2c1cccc2F ZINC000170959725 824019479 /nfs/dbraw/zinc/01/94/79/824019479.db2.gz RXIDWKWKISIDKU-UHFFFAOYSA-N 1 2 390.503 4.027 20 0 GIADLO C[N@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000414651461 824020825 /nfs/dbraw/zinc/02/08/25/824020825.db2.gz GFXGMLOQHKGQSK-UHFFFAOYSA-N 1 2 397.302 4.234 20 0 GIADLO C[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000414651461 824020832 /nfs/dbraw/zinc/02/08/32/824020832.db2.gz GFXGMLOQHKGQSK-UHFFFAOYSA-N 1 2 397.302 4.234 20 0 GIADLO Fc1ccc(C2([NH2+]Cc3nnc(-c4ccc(Cl)cc4)o3)CCOCC2)cc1 ZINC000170970855 824023065 /nfs/dbraw/zinc/02/30/65/824023065.db2.gz YRGJKUUPGZWPIM-UHFFFAOYSA-N 1 2 387.842 4.325 20 0 GIADLO Cc1ccc2[nH]cc(CCC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccc(F)c(F)c3)c2c1 ZINC000127131613 824023184 /nfs/dbraw/zinc/02/31/84/824023184.db2.gz VGILBAOLBBWDEL-JTHBVZDNSA-N 1 2 397.469 4.249 20 0 GIADLO Cc1ccc2[nH]cc(CCC(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccc(F)c(F)c3)c2c1 ZINC000127131613 824023190 /nfs/dbraw/zinc/02/31/90/824023190.db2.gz VGILBAOLBBWDEL-JTHBVZDNSA-N 1 2 397.469 4.249 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(Oc2cccnc2)cc1 ZINC000575902525 824024353 /nfs/dbraw/zinc/02/43/53/824024353.db2.gz XUXGNOCMBILFQW-UHFFFAOYSA-N 1 2 389.459 4.191 20 0 GIADLO Cc1nc([C@@H](C)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)no1 ZINC000575909632 824027027 /nfs/dbraw/zinc/02/70/27/824027027.db2.gz MTLCQNNZLOKKEZ-IERDGZPVSA-N 1 2 396.922 4.500 20 0 GIADLO Cc1cc(-c2csc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)n2)c(C)o1 ZINC000575910668 824027413 /nfs/dbraw/zinc/02/74/13/824027413.db2.gz ASDWCYIBXDDUIV-UHFFFAOYSA-N 1 2 392.484 4.446 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)C1 ZINC000192580172 824037150 /nfs/dbraw/zinc/03/71/50/824037150.db2.gz RULBJUYFMLFWFN-VIFPVBQESA-N 1 2 387.402 4.184 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)C1 ZINC000192580172 824037157 /nfs/dbraw/zinc/03/71/57/824037157.db2.gz RULBJUYFMLFWFN-VIFPVBQESA-N 1 2 387.402 4.184 20 0 GIADLO COc1cccc2cc([C@H](C)[NH2+]Cc3nnc4n3C[C@H](C(F)(F)F)CC4)oc21 ZINC000359905001 212123077 /nfs/dbraw/zinc/12/30/77/212123077.db2.gz UNPTVPQDSTXHQV-WCQYABFASA-N 1 2 394.397 4.008 20 0 GIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc4ccsc4cn2)CC3)cc1 ZINC001164672557 719515793 /nfs/dbraw/zinc/51/57/93/719515793.db2.gz KQDZSTRZGGYGJU-UHFFFAOYSA-N 1 2 397.519 4.307 20 0 GIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc4ccsc4cn2)CC3)cc1 ZINC001164672557 719515796 /nfs/dbraw/zinc/51/57/96/719515796.db2.gz KQDZSTRZGGYGJU-UHFFFAOYSA-N 1 2 397.519 4.307 20 0 GIADLO C[C@H](CCCc1cccnc1)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000458488067 823046714 /nfs/dbraw/zinc/04/67/14/823046714.db2.gz SUUZWBIHINCNBT-QZTJIDSGSA-N 1 2 377.492 4.039 20 0 GIADLO C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000458495995 823047574 /nfs/dbraw/zinc/04/75/74/823047574.db2.gz XRWYOSHOWCCSRX-SJORKVTESA-N 1 2 380.467 4.345 20 0 GIADLO C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000570560683 823054868 /nfs/dbraw/zinc/05/48/68/823054868.db2.gz HTQGCVRGUUNNRH-HNNXBMFYSA-N 1 2 396.441 4.039 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(Cl)c1 ZINC000175848748 823054862 /nfs/dbraw/zinc/05/48/62/823054862.db2.gz YHLKGLPBLIKGTQ-PBHICJAKSA-N 1 2 378.925 4.237 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(Cl)c1 ZINC000175848748 823054867 /nfs/dbraw/zinc/05/48/67/823054867.db2.gz YHLKGLPBLIKGTQ-PBHICJAKSA-N 1 2 378.925 4.237 20 0 GIADLO CC(C)[C@@]1(CO)CCC[N@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000570586265 823057782 /nfs/dbraw/zinc/05/77/82/823057782.db2.gz GSEHQOOCWXALBU-QFIPXVFZSA-N 1 2 397.544 4.294 20 0 GIADLO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000570586265 823057785 /nfs/dbraw/zinc/05/77/85/823057785.db2.gz GSEHQOOCWXALBU-QFIPXVFZSA-N 1 2 397.544 4.294 20 0 GIADLO Cn1c(C[NH+]2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)nc2ccccc21 ZINC000175869935 823060087 /nfs/dbraw/zinc/06/00/87/823060087.db2.gz HCEVFVVTKPJDSD-UHFFFAOYSA-N 1 2 398.551 4.185 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)cs1)c1ccc(Cl)cc1 ZINC000120780905 823062681 /nfs/dbraw/zinc/06/26/81/823062681.db2.gz ADNLZVWMRVEYEV-DZGCQCFKSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)cs1)c1ccc(Cl)cc1 ZINC000120780905 823062685 /nfs/dbraw/zinc/06/26/85/823062685.db2.gz ADNLZVWMRVEYEV-DZGCQCFKSA-N 1 2 393.940 4.074 20 0 GIADLO CCCCC[C@@](C)(CC)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000187469284 823069240 /nfs/dbraw/zinc/06/92/40/823069240.db2.gz VLRKDMYJVHKKIY-HSZRJFAPSA-N 1 2 387.568 4.202 20 0 GIADLO O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000570687726 823071814 /nfs/dbraw/zinc/07/18/14/823071814.db2.gz ZTOLWUMGSFPUIX-HNNXBMFYSA-N 1 2 391.437 4.093 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)c2ccc(F)cc2)cn1 ZINC000187519429 823080170 /nfs/dbraw/zinc/08/01/70/823080170.db2.gz XHZXYHBZZNGFSW-KRWDZBQOSA-N 1 2 381.423 4.487 20 0 GIADLO O=C(NCc1coc(-c2cccs2)n1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000175959447 823082487 /nfs/dbraw/zinc/08/24/87/823082487.db2.gz PVZSOKBTHTUAIG-SFHVURJKSA-N 1 2 399.491 4.213 20 0 GIADLO O=C(NCc1coc(-c2cccs2)n1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000175959447 823082493 /nfs/dbraw/zinc/08/24/93/823082493.db2.gz PVZSOKBTHTUAIG-SFHVURJKSA-N 1 2 399.491 4.213 20 0 GIADLO Fc1ccc(-c2nc(CNc3ccccc3C[NH+]3CCOCC3)cs2)cc1 ZINC000120935065 823089328 /nfs/dbraw/zinc/08/93/28/823089328.db2.gz SMRYXVWIVHZXJI-UHFFFAOYSA-N 1 2 383.492 4.394 20 0 GIADLO CC(C)(C)c1nc2cc(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)ccc2o1 ZINC000120955871 823092533 /nfs/dbraw/zinc/09/25/33/823092533.db2.gz WOVWIRBXLWEXKQ-UHFFFAOYSA-N 1 2 393.491 4.311 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C(C)(F)F)cc2)c1C ZINC000458816211 823091011 /nfs/dbraw/zinc/09/10/11/823091011.db2.gz IWTWJROBRVWLFK-UHFFFAOYSA-N 1 2 377.435 4.160 20 0 GIADLO CCC(=O)Nc1cccc(-c2noc([C@@H](c3ccc(Cl)cc3)[NH+](C)C)n2)c1 ZINC000570816451 823091096 /nfs/dbraw/zinc/09/10/96/823091096.db2.gz POSOJTLSWSTJSF-GOSISDBHSA-N 1 2 384.867 4.390 20 0 GIADLO O=C(c1cccc(OCc2cccs2)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120950913 823091751 /nfs/dbraw/zinc/09/17/51/823091751.db2.gz CHOFQRINBNMZQW-IBGZPJMESA-N 1 2 380.469 4.016 20 0 GIADLO Cc1ccc([C@H](C)N(C)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000176003602 823092802 /nfs/dbraw/zinc/09/28/02/823092802.db2.gz NMNOFHKUFMWMLO-IBGZPJMESA-N 1 2 394.563 4.432 20 0 GIADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc3cnn(C(C)C)c3nc1Cl)n2C ZINC000187584304 823093038 /nfs/dbraw/zinc/09/30/38/823093038.db2.gz CXTRWCGMMDGFCM-UHFFFAOYSA-N 1 2 382.899 4.151 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N(C)[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000176003831 823093155 /nfs/dbraw/zinc/09/31/55/823093155.db2.gz GLYGANBBMKJTTF-HSZRJFAPSA-N 1 2 392.547 4.050 20 0 GIADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176005321 823093560 /nfs/dbraw/zinc/09/35/60/823093560.db2.gz GCDKRNFVMUGDOQ-QGZVFWFLSA-N 1 2 398.526 4.263 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NC(C)(C)c3cccc(F)c3)CC2)cc1 ZINC000176008856 823094953 /nfs/dbraw/zinc/09/49/53/823094953.db2.gz YYBFGOMOYMYPHK-UHFFFAOYSA-N 1 2 398.526 4.095 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]Cc1ccc(C)nc1)c1ccccc1 ZINC000056171938 823095465 /nfs/dbraw/zinc/09/54/65/823095465.db2.gz ISCUKCLKXVIPPY-QFIPXVFZSA-N 1 2 375.472 4.177 20 0 GIADLO CCSCC[C@@H](C)N(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458893102 823102685 /nfs/dbraw/zinc/10/26/85/823102685.db2.gz XBAAZWGRXCGCMA-CQSZACIVSA-N 1 2 380.945 4.199 20 0 GIADLO CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000458892547 823102735 /nfs/dbraw/zinc/10/27/35/823102735.db2.gz WPVKPOGCPZMOKI-HUUCEWRRSA-N 1 2 392.956 4.341 20 0 GIADLO CCSCC[C@H](C)N(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458893099 823102631 /nfs/dbraw/zinc/10/26/31/823102631.db2.gz XBAAZWGRXCGCMA-AWEZNQCLSA-N 1 2 380.945 4.199 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1CSC1=NCCS1 ZINC000176039615 823103582 /nfs/dbraw/zinc/10/35/82/823103582.db2.gz ZFTVWIGKBGNLBY-UHFFFAOYSA-N 1 2 394.525 4.461 20 0 GIADLO Cc1noc([C@@H](C)Sc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)n1 ZINC000056255935 823113920 /nfs/dbraw/zinc/11/39/20/823113920.db2.gz LVFWIAWWXHJTHF-GFCCVEGCSA-N 1 2 389.550 4.449 20 0 GIADLO Cc1cc(C[NH2+][C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c(C)o1 ZINC000121060823 823111142 /nfs/dbraw/zinc/11/11/42/823111142.db2.gz FVBONPDQGIJKQE-OAQYLSRUSA-N 1 2 387.476 4.318 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000121085486 823115754 /nfs/dbraw/zinc/11/57/54/823115754.db2.gz YXXRQEXZXIFCJT-OAHLLOKOSA-N 1 2 396.578 4.050 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000121085486 823115760 /nfs/dbraw/zinc/11/57/60/823115760.db2.gz YXXRQEXZXIFCJT-OAHLLOKOSA-N 1 2 396.578 4.050 20 0 GIADLO O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121102933 823119181 /nfs/dbraw/zinc/11/91/81/823119181.db2.gz QQGTWLICZAIFAG-GFCCVEGCSA-N 1 2 391.905 4.214 20 0 GIADLO C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000571049193 823124843 /nfs/dbraw/zinc/12/48/43/823124843.db2.gz FKRPSLBFILLAQA-IAGOWNOFSA-N 1 2 381.451 4.430 20 0 GIADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc(Br)c(F)c1 ZINC000571111799 823133836 /nfs/dbraw/zinc/13/38/36/823133836.db2.gz SMJILVADTPRLRR-HDJSIYSDSA-N 1 2 392.272 4.136 20 0 GIADLO COCc1cccc(CNC(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121183496 823134072 /nfs/dbraw/zinc/13/40/72/823134072.db2.gz LXKPSAYKLBFESO-MRXNPFEDSA-N 1 2 389.565 4.031 20 0 GIADLO COCc1cccc(CNC(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121183496 823134075 /nfs/dbraw/zinc/13/40/75/823134075.db2.gz LXKPSAYKLBFESO-MRXNPFEDSA-N 1 2 389.565 4.031 20 0 GIADLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000121196340 823136767 /nfs/dbraw/zinc/13/67/67/823136767.db2.gz PLGPYEAINZHTNK-GOSISDBHSA-N 1 2 393.535 4.416 20 0 GIADLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000121196340 823136772 /nfs/dbraw/zinc/13/67/72/823136772.db2.gz PLGPYEAINZHTNK-GOSISDBHSA-N 1 2 393.535 4.416 20 0 GIADLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)CC2 ZINC000571127693 823137106 /nfs/dbraw/zinc/13/71/06/823137106.db2.gz YIAIQEFOKSZHOC-UHFFFAOYSA-N 1 2 399.384 4.342 20 0 GIADLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)CC2 ZINC000571127693 823137109 /nfs/dbraw/zinc/13/71/09/823137109.db2.gz YIAIQEFOKSZHOC-UHFFFAOYSA-N 1 2 399.384 4.342 20 0 GIADLO CC[N@H+](C)[C@@H](c1nc(CCn2c(C)nc3ccccc32)no1)c1ccccc1 ZINC000571174880 823144169 /nfs/dbraw/zinc/14/41/69/823144169.db2.gz GVVPUWGQCRIAQF-OAQYLSRUSA-N 1 2 375.476 4.012 20 0 GIADLO CC[N@@H+](C)[C@@H](c1nc(CCn2c(C)nc3ccccc32)no1)c1ccccc1 ZINC000571174880 823144171 /nfs/dbraw/zinc/14/41/71/823144171.db2.gz GVVPUWGQCRIAQF-OAQYLSRUSA-N 1 2 375.476 4.012 20 0 GIADLO CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000187846098 823145225 /nfs/dbraw/zinc/14/52/25/823145225.db2.gz KOTRNFAOWYCCMK-UHFFFAOYSA-N 1 2 387.487 4.144 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2cc(OCC(F)F)ccn2)no1)c1ccc(Cl)cc1 ZINC000571224837 823151569 /nfs/dbraw/zinc/15/15/69/823151569.db2.gz LIPXMGBXLNCGQY-INIZCTEOSA-N 1 2 394.809 4.080 20 0 GIADLO C[C@H](CCCc1cccnc1)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000459291686 823157034 /nfs/dbraw/zinc/15/70/34/823157034.db2.gz CZJZZCKKEMBCSB-MRXNPFEDSA-N 1 2 387.553 4.057 20 0 GIADLO CC(C)(CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000056485875 823158449 /nfs/dbraw/zinc/15/84/49/823158449.db2.gz ICKCCWFLQYZOQG-UHFFFAOYSA-N 1 2 386.927 4.112 20 0 GIADLO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000459308074 823159583 /nfs/dbraw/zinc/15/95/83/823159583.db2.gz RUHDDODQVJAVJS-HNNXBMFYSA-N 1 2 390.528 4.363 20 0 GIADLO C[C@H](Cc1cccc(F)c1)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000459308075 823159672 /nfs/dbraw/zinc/15/96/72/823159672.db2.gz RUHDDODQVJAVJS-OAHLLOKOSA-N 1 2 390.528 4.363 20 0 GIADLO CC[C@@H](NC(=O)c1ccccc1)c1noc(/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000571364280 823171560 /nfs/dbraw/zinc/17/15/60/823171560.db2.gz CIFVDPGVZLJBJU-KTZABMDBSA-N 1 2 399.454 4.307 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCc3ccc(F)cc3)n2)C1 ZINC000056554861 823168589 /nfs/dbraw/zinc/16/85/89/823168589.db2.gz ZAHWAWKYXVEORO-HNNXBMFYSA-N 1 2 390.528 4.221 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCc3ccc(F)cc3)n2)C1 ZINC000056554861 823168595 /nfs/dbraw/zinc/16/85/95/823168595.db2.gz ZAHWAWKYXVEORO-HNNXBMFYSA-N 1 2 390.528 4.221 20 0 GIADLO C[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ncc(Br)cn1 ZINC000571350781 823169628 /nfs/dbraw/zinc/16/96/28/823169628.db2.gz LLIXDGIIACSDPU-SNVBAGLBSA-N 1 2 390.203 4.031 20 0 GIADLO O[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000188035053 823174738 /nfs/dbraw/zinc/17/47/38/823174738.db2.gz OCUDDPFTZFACSL-IAGOWNOFSA-N 1 2 380.250 4.268 20 0 GIADLO CCOc1cccc([C@H](C)NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000571383305 823175627 /nfs/dbraw/zinc/17/56/27/823175627.db2.gz WDJJBHZBYXFOBO-KRWDZBQOSA-N 1 2 396.535 4.268 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@@H](C)c2ccccc2-c2ccc(Cl)cc2)n1 ZINC000459380401 823177885 /nfs/dbraw/zinc/17/78/85/823177885.db2.gz BJOKTSVJUDYSGJ-ZDUSSCGKSA-N 1 2 385.851 4.418 20 0 GIADLO C[C@H](CCCc1cccnc1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000459382121 823178473 /nfs/dbraw/zinc/17/84/73/823178473.db2.gz FDWGWZRYRRSBBH-MOPGFXCFSA-N 1 2 396.535 4.008 20 0 GIADLO C[C@H](Cc1cccc(F)c1)N(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000459390023 823180903 /nfs/dbraw/zinc/18/09/03/823180903.db2.gz RVPIDDNGMWEZSP-QZTJIDSGSA-N 1 2 399.510 4.314 20 0 GIADLO Cn1c2ccccc2nc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000176327966 823182875 /nfs/dbraw/zinc/18/28/75/823182875.db2.gz DEFVNWYKPPKTII-OAQYLSRUSA-N 1 2 377.513 4.371 20 0 GIADLO Cn1c2ccccc2nc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000176327966 823182879 /nfs/dbraw/zinc/18/28/79/823182879.db2.gz DEFVNWYKPPKTII-OAQYLSRUSA-N 1 2 377.513 4.371 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc(OCC(F)(F)F)c1 ZINC000056623658 823184342 /nfs/dbraw/zinc/18/43/42/823184342.db2.gz QUBRURPXEWKXHN-UHFFFAOYSA-N 1 2 390.365 4.135 20 0 GIADLO O[C@H]([C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2)C1)C(F)(F)F ZINC000459431656 823190843 /nfs/dbraw/zinc/19/08/43/823190843.db2.gz SEEDDPYWLDGTEJ-GXFFZTMASA-N 1 2 386.639 4.238 20 0 GIADLO O[C@H]([C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1)C(F)(F)F ZINC000459431656 823190846 /nfs/dbraw/zinc/19/08/46/823190846.db2.gz SEEDDPYWLDGTEJ-GXFFZTMASA-N 1 2 386.639 4.238 20 0 GIADLO CC[C@@H](Cc1ccccc1)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176361862 823191269 /nfs/dbraw/zinc/19/12/69/823191269.db2.gz KNMXLHDICWOKRH-QFIPXVFZSA-N 1 2 394.563 4.351 20 0 GIADLO CCOc1cc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cc(Cl)c1O ZINC000459457936 823196255 /nfs/dbraw/zinc/19/62/55/823196255.db2.gz IUBXINGZUPBKFW-ZIAGYGMSSA-N 1 2 391.899 4.065 20 0 GIADLO C[C@H](CNC(=O)CCN1c2ccccc2Sc2ccccc21)Cn1cc[nH+]c1 ZINC000176398848 823199486 /nfs/dbraw/zinc/19/94/86/823199486.db2.gz ZCWUDOCFPJFCSJ-QGZVFWFLSA-N 1 2 392.528 4.328 20 0 GIADLO CO[C@H](C)c1noc(C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)n1 ZINC000188183088 823199705 /nfs/dbraw/zinc/19/97/05/823199705.db2.gz ZFXGAHPPFPCBCX-BMIGLBTASA-N 1 2 398.276 4.310 20 0 GIADLO COCC[N@H+](Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C)Cc1cccnc1 ZINC000571567389 823201346 /nfs/dbraw/zinc/20/13/46/823201346.db2.gz IZJHBOXTBWJRQJ-UHFFFAOYSA-N 1 2 398.938 4.245 20 0 GIADLO COCC[N@@H+](Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C)Cc1cccnc1 ZINC000571567389 823201350 /nfs/dbraw/zinc/20/13/50/823201350.db2.gz IZJHBOXTBWJRQJ-UHFFFAOYSA-N 1 2 398.938 4.245 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C)cc2OCC2CC2)c1C ZINC000176425629 823205398 /nfs/dbraw/zinc/20/53/98/823205398.db2.gz POCYNMUGXBOHDB-UHFFFAOYSA-N 1 2 397.519 4.146 20 0 GIADLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000188224508 823206262 /nfs/dbraw/zinc/20/62/62/823206262.db2.gz YMGKWXMYQVNCMJ-RHSMWYFYSA-N 1 2 395.425 4.169 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000176450753 823209883 /nfs/dbraw/zinc/20/98/83/823209883.db2.gz FYBYMQNQUPXILW-UHFFFAOYSA-N 1 2 392.330 4.458 20 0 GIADLO O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)N1CCC(n2cc[nH+]c2)CC1 ZINC000121597993 823213560 /nfs/dbraw/zinc/21/35/60/823213560.db2.gz RHHQBRYHVKMHTL-FQEVSTJZSA-N 1 2 395.894 4.068 20 0 GIADLO Cc1sc2nc([C@@H](C)[N@@H+]3CC[C@@](C)(C(=O)OC(C)(C)C)C3)[nH]c(=O)c2c1C ZINC000459571816 823223119 /nfs/dbraw/zinc/22/31/19/823223119.db2.gz CZENRCNCMSKNMA-MPBGBICISA-N 1 2 391.537 4.128 20 0 GIADLO Cc1sc2nc([C@@H](C)[N@H+]3CC[C@@](C)(C(=O)OC(C)(C)C)C3)[nH]c(=O)c2c1C ZINC000459571816 823223127 /nfs/dbraw/zinc/22/31/27/823223127.db2.gz CZENRCNCMSKNMA-MPBGBICISA-N 1 2 391.537 4.128 20 0 GIADLO CC(C)Oc1ccc(Cl)cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409452884 823222426 /nfs/dbraw/zinc/22/24/26/823222426.db2.gz KXBODXNLYXSLAB-UHFFFAOYSA-N 1 2 387.842 4.382 20 0 GIADLO CC(=O)CCCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000121628015 823218825 /nfs/dbraw/zinc/21/88/25/823218825.db2.gz SFTDDFDULKDJEX-UHFFFAOYSA-N 1 2 390.528 4.244 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)Cc3coc(-c4ccc(F)c(F)c4)n3)[nH+]c12 ZINC000176509488 823224887 /nfs/dbraw/zinc/22/48/87/823224887.db2.gz ZNDVYJVXYVMHCT-HHHXNRCGSA-N 1 2 387.411 4.025 20 0 GIADLO Cc1ccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000121666396 823226126 /nfs/dbraw/zinc/22/61/26/823226126.db2.gz YJPXWOVSRWRATK-IRXDYDNUSA-N 1 2 385.483 4.065 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H]1CCc1ccccc1 ZINC000056872935 823226593 /nfs/dbraw/zinc/22/65/93/823226593.db2.gz GUFMJSHJQAJUPU-HSZRJFAPSA-N 1 2 388.515 4.238 20 0 GIADLO CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H](C)c1cccc(OC)c1 ZINC000056895690 823229364 /nfs/dbraw/zinc/22/93/64/823229364.db2.gz GTIOHDAXWTYZAM-KRWDZBQOSA-N 1 2 378.476 4.174 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCCCC[C@H]1c1ccncc1 ZINC000056895725 823229604 /nfs/dbraw/zinc/22/96/04/823229604.db2.gz CNWZAZLRYOKZOI-NRFANRHFSA-N 1 2 375.476 4.094 20 0 GIADLO Brc1cccc(-c2nc(C[NH+]3CC4(C3)CCOCC4)cs2)c1 ZINC000459613922 823229797 /nfs/dbraw/zinc/22/97/97/823229797.db2.gz GEWKHCWWNUQVDN-UHFFFAOYSA-N 1 2 379.323 4.185 20 0 GIADLO Cc1cccn2cc(C[S@](=O)Cc3cn4cc(Cl)cc(Cl)c4n3)[nH+]c12 ZINC000176541081 823232904 /nfs/dbraw/zinc/23/29/04/823232904.db2.gz ILWNTEZXSSKNCJ-VWLOTQADSA-N 1 2 393.299 4.046 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)Cc3ncc(-c4ccc(Cl)cc4)o3)[nH+]c12 ZINC000176535729 823231653 /nfs/dbraw/zinc/23/16/53/823231653.db2.gz YNPAPLDPHFDLGB-AREMUKBSSA-N 1 2 385.876 4.400 20 0 GIADLO O=C(c1cccc(-c2cscn2)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000571769819 823232583 /nfs/dbraw/zinc/23/25/83/823232583.db2.gz BHQAPEGBMZABHJ-SFHVURJKSA-N 1 2 392.528 4.363 20 0 GIADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459634339 823234291 /nfs/dbraw/zinc/23/42/91/823234291.db2.gz MLIHYIKOYDJVRA-VXGBXAGGSA-N 1 2 397.500 4.258 20 0 GIADLO C[C@@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)c1nc2c(s1)CCC2 ZINC000459635286 823234455 /nfs/dbraw/zinc/23/44/55/823234455.db2.gz TVGLJKQHCKTHAA-SNVBAGLBSA-N 1 2 391.338 4.132 20 0 GIADLO COc1ccc(OCc2ccccn2)c(C[NH+]2CC(C)(CC(F)(F)F)C2)c1 ZINC000459635541 823234613 /nfs/dbraw/zinc/23/46/13/823234613.db2.gz JFYQOWYXDQSVSG-UHFFFAOYSA-N 1 2 380.410 4.444 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3F)CC2)c1C ZINC000571814481 823238792 /nfs/dbraw/zinc/23/87/92/823238792.db2.gz VFLFXUMMFCLYPK-MRXNPFEDSA-N 1 2 384.495 4.499 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)c1 ZINC000057024513 823240246 /nfs/dbraw/zinc/24/02/46/823240246.db2.gz GOYRXRLVPWRSSN-NRFANRHFSA-N 1 2 379.548 4.378 20 0 GIADLO CSCc1cnc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459653657 823240295 /nfs/dbraw/zinc/24/02/95/823240295.db2.gz SIAWRKLEPIBDHS-ZDUSSCGKSA-N 1 2 380.501 4.187 20 0 GIADLO CSCc1cnc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459653657 823240301 /nfs/dbraw/zinc/24/03/01/823240301.db2.gz SIAWRKLEPIBDHS-ZDUSSCGKSA-N 1 2 380.501 4.187 20 0 GIADLO COc1cccc(C[N@H+](C)[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)c1 ZINC000057024606 823240666 /nfs/dbraw/zinc/24/06/66/823240666.db2.gz GFAGFLPBQHEEAB-KGLIPLIRSA-N 1 2 397.544 4.311 20 0 GIADLO COc1cccc(C[N@@H+](C)[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)c1 ZINC000057024606 823240670 /nfs/dbraw/zinc/24/06/70/823240670.db2.gz GFAGFLPBQHEEAB-KGLIPLIRSA-N 1 2 397.544 4.311 20 0 GIADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176594106 823243826 /nfs/dbraw/zinc/24/38/26/823243826.db2.gz TVGUGLROMVEXDR-QGZVFWFLSA-N 1 2 375.476 4.053 20 0 GIADLO CN1CC[NH+](Cc2cccc(NC(=O)c3cc(Cl)sc3Cl)c2)CC1 ZINC000057054710 823243919 /nfs/dbraw/zinc/24/39/19/823243919.db2.gz XLKUINHGQKQNIV-UHFFFAOYSA-N 1 2 384.332 4.055 20 0 GIADLO COc1ccccc1[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)OC(C)C ZINC000188483568 823248208 /nfs/dbraw/zinc/24/82/08/823248208.db2.gz WBUAXEMNJWGRLF-RTWAWAEBSA-N 1 2 383.467 4.403 20 0 GIADLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000121802694 823254366 /nfs/dbraw/zinc/25/43/66/823254366.db2.gz ALWPUPYQNRHSDZ-UHFFFAOYSA-N 1 2 390.512 4.290 20 0 GIADLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000121807498 823255401 /nfs/dbraw/zinc/25/54/01/823255401.db2.gz YAMJJEOURKDEST-UHFFFAOYSA-N 1 2 393.459 4.216 20 0 GIADLO Cc1c(Cl)cccc1-n1c(SCCn2cc[nH+]c2)nnc1-c1ccncc1 ZINC000121831206 823259405 /nfs/dbraw/zinc/25/94/05/823259405.db2.gz GXHIQYXZBWZBBL-UHFFFAOYSA-N 1 2 396.907 4.280 20 0 GIADLO Clc1ccc(-c2nnc(SCCn3cc[nH+]c3)n2Cc2ccco2)cc1 ZINC000121849885 823262708 /nfs/dbraw/zinc/26/27/08/823262708.db2.gz ZCGBLGLJXLSQFP-UHFFFAOYSA-N 1 2 385.880 4.229 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409624040 823264952 /nfs/dbraw/zinc/26/49/52/823264952.db2.gz TVPJUGGCURHZHE-SFHVURJKSA-N 1 2 394.510 4.155 20 0 GIADLO CCCn1nccc1C1CCN(c2c(C(=O)OCC)c[nH+]c3ccccc32)CC1 ZINC000409637231 823269355 /nfs/dbraw/zinc/26/93/55/823269355.db2.gz FXJRMRHJECIFDQ-UHFFFAOYSA-N 1 2 392.503 4.402 20 0 GIADLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nnc(-c3cc4c(s3)CCCC4)o2)c1 ZINC000121907679 823274419 /nfs/dbraw/zinc/27/44/19/823274419.db2.gz WXIOADLXMAXJHD-ZDUSSCGKSA-N 1 2 396.516 4.486 20 0 GIADLO CC1CCN(c2cccc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)c2)CC1 ZINC000572052472 823274594 /nfs/dbraw/zinc/27/45/94/823274594.db2.gz DWOHMAJBRUFAGM-UHFFFAOYSA-N 1 2 388.515 4.349 20 0 GIADLO Cc1ccn(C2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)n1 ZINC000409642256 823271132 /nfs/dbraw/zinc/27/11/32/823271132.db2.gz SMXWIWGTSOVLRM-UHFFFAOYSA-N 1 2 389.272 4.483 20 0 GIADLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ocnc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572081345 823279795 /nfs/dbraw/zinc/27/97/95/823279795.db2.gz SKYAFHJNIQWJJX-WMZOPIPTSA-N 1 2 391.874 4.298 20 0 GIADLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ocnc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572081345 823279800 /nfs/dbraw/zinc/27/98/00/823279800.db2.gz SKYAFHJNIQWJJX-WMZOPIPTSA-N 1 2 391.874 4.298 20 0 GIADLO CCc1cccc(Oc2ccc(NC(=O)N(C)CCCn3cc[nH+]c3)cn2)c1 ZINC000121940682 823281303 /nfs/dbraw/zinc/28/13/03/823281303.db2.gz DRFUWTOAWVIYGL-UHFFFAOYSA-N 1 2 379.464 4.187 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000057373216 823283916 /nfs/dbraw/zinc/28/39/16/823283916.db2.gz JWOITOHIKGIQEH-UHFFFAOYSA-N 1 2 380.414 4.056 20 0 GIADLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000460107045 823285784 /nfs/dbraw/zinc/28/57/84/823285784.db2.gz DGVFWDXMGVYHAG-HNNXBMFYSA-N 1 2 380.423 4.101 20 0 GIADLO C[C@@H](c1nnc(S[C@@H]2CCO[C@H](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000572135720 823288569 /nfs/dbraw/zinc/28/85/69/823288569.db2.gz JXSJPDWLCNDVPB-DVOMOZLQSA-N 1 2 380.945 4.203 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](C)Cn2ccn(-c3ccc(C)cc3C)c2=S)cc1 ZINC000007317399 817817512 /nfs/dbraw/zinc/81/75/12/817817512.db2.gz UCUSZINIDFELLQ-UHFFFAOYSA-N 1 2 394.544 4.074 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](C)Cn2ccn(-c3ccc(C)cc3C)c2=S)cc1 ZINC000007317399 817817518 /nfs/dbraw/zinc/81/75/18/817817518.db2.gz UCUSZINIDFELLQ-UHFFFAOYSA-N 1 2 394.544 4.074 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000572175128 823294954 /nfs/dbraw/zinc/29/49/54/823294954.db2.gz ZWGHLRHRVRLVNZ-WMLDXEAASA-N 1 2 396.457 4.247 20 0 GIADLO Cc1ccc(SCCC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1C ZINC000409735591 823295147 /nfs/dbraw/zinc/29/51/47/823295147.db2.gz XZNCPEGACLNJNJ-UHFFFAOYSA-N 1 2 384.545 4.257 20 0 GIADLO COc1cccc([C@@H]([NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)c2ccccc2Cl)c1 ZINC000176798316 823295465 /nfs/dbraw/zinc/29/54/65/823295465.db2.gz DSBDHMJZBYFZQF-OAQYLSRUSA-N 1 2 397.906 4.258 20 0 GIADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000122028693 823296005 /nfs/dbraw/zinc/29/60/05/823296005.db2.gz IXNRNWWTJNSTTA-WMLDXEAASA-N 1 2 397.569 4.468 20 0 GIADLO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000122028693 823296012 /nfs/dbraw/zinc/29/60/12/823296012.db2.gz IXNRNWWTJNSTTA-WMLDXEAASA-N 1 2 397.569 4.468 20 0 GIADLO CCOc1ccc(C[N@H+](C)Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000007674345 817892496 /nfs/dbraw/zinc/89/24/96/817892496.db2.gz TXWMIDGEGBNNMN-UHFFFAOYSA-N 1 2 395.484 4.275 20 0 GIADLO CCOc1ccc(C[N@@H+](C)Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000007674345 817892507 /nfs/dbraw/zinc/89/25/07/817892507.db2.gz TXWMIDGEGBNNMN-UHFFFAOYSA-N 1 2 395.484 4.275 20 0 GIADLO CC(=O)Nc1ccc(NC(=O)C[NH+](Cc2cccs2)Cc2cccs2)cc1 ZINC000007688350 817896146 /nfs/dbraw/zinc/89/61/46/817896146.db2.gz WKJGKWKHGOSKRX-UHFFFAOYSA-N 1 2 399.541 4.409 20 0 GIADLO O=C1/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1c1ccc(F)cc1 ZINC000007900765 817954544 /nfs/dbraw/zinc/95/45/44/817954544.db2.gz YBWBPFSGVWTJQO-GZTJUZNOSA-N 1 2 381.457 4.417 20 0 GIADLO Cc1cccc(N2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)c1C ZINC000057449383 823298688 /nfs/dbraw/zinc/29/86/88/823298688.db2.gz VBFOKTWFUZCEEZ-UHFFFAOYSA-N 1 2 382.895 4.329 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000007927294 817961902 /nfs/dbraw/zinc/96/19/02/817961902.db2.gz CUZNLKRMZIWEMM-OAHLLOKOSA-N 1 2 394.924 4.030 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000007927294 817961909 /nfs/dbraw/zinc/96/19/09/817961909.db2.gz CUZNLKRMZIWEMM-OAHLLOKOSA-N 1 2 394.924 4.030 20 0 GIADLO CCc1ccc(-c2nc(C[N@H+](C)Cc3ccc(C(=O)NC)cc3)cs2)cc1 ZINC000007997553 817977988 /nfs/dbraw/zinc/97/79/88/817977988.db2.gz ODJJWGIAZYGJGH-UHFFFAOYSA-N 1 2 379.529 4.364 20 0 GIADLO CCc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C(=O)NC)cc3)cs2)cc1 ZINC000007997553 817977995 /nfs/dbraw/zinc/97/79/95/817977995.db2.gz ODJJWGIAZYGJGH-UHFFFAOYSA-N 1 2 379.529 4.364 20 0 GIADLO Cc1cccc(OCCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000057530270 823307179 /nfs/dbraw/zinc/30/71/79/823307179.db2.gz ZRNSNZVPWUXCOB-UHFFFAOYSA-N 1 2 394.544 4.343 20 0 GIADLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000011011192 818043994 /nfs/dbraw/zinc/04/39/94/818043994.db2.gz ADQJZKTYXHMNCV-UHFFFAOYSA-N 1 2 391.446 4.149 20 0 GIADLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000011011192 818043999 /nfs/dbraw/zinc/04/39/99/818043999.db2.gz ADQJZKTYXHMNCV-UHFFFAOYSA-N 1 2 391.446 4.149 20 0 GIADLO O=C(NCc1ccc(C2CC2)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000572253120 823308197 /nfs/dbraw/zinc/30/81/97/823308197.db2.gz UPSZNYSGFLKZHW-FQEVSTJZSA-N 1 2 378.520 4.186 20 0 GIADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000011200147 818061269 /nfs/dbraw/zinc/06/12/69/818061269.db2.gz LVGOSHBMGPKOLN-QFIPXVFZSA-N 1 2 380.513 4.094 20 0 GIADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000011200147 818061274 /nfs/dbraw/zinc/06/12/74/818061274.db2.gz LVGOSHBMGPKOLN-QFIPXVFZSA-N 1 2 380.513 4.094 20 0 GIADLO Cc1sc2nc([C@@H](C)[NH+]3CCC(OCc4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000011331209 818072874 /nfs/dbraw/zinc/07/28/74/818072874.db2.gz IMMHPWKKLJCSIX-OAHLLOKOSA-N 1 2 397.544 4.344 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2cnn(-c3ccccc3)c2)c(C)c1 ZINC000011459289 818083533 /nfs/dbraw/zinc/08/35/33/818083533.db2.gz ZHWOPHBFHMEXHL-LJQANCHMSA-N 1 2 376.504 4.257 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c(C)c1 ZINC000011459289 818083538 /nfs/dbraw/zinc/08/35/38/818083538.db2.gz ZHWOPHBFHMEXHL-LJQANCHMSA-N 1 2 376.504 4.257 20 0 GIADLO C[C@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000409830480 823319134 /nfs/dbraw/zinc/31/91/34/823319134.db2.gz SHORSXDUKAFAGK-GJZGRUSLSA-N 1 2 379.426 4.024 20 0 GIADLO Cc1sc2[nH]c(CSCCn3cc[nH+]c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000122242364 823326716 /nfs/dbraw/zinc/32/67/16/823326716.db2.gz GDTABGSDJWAZGG-UHFFFAOYSA-N 1 2 396.541 4.398 20 0 GIADLO COc1cc(C[N@H+](CC(=O)Nc2cccc(F)c2)C2CC2)ccc1OC(F)F ZINC000015036374 818285330 /nfs/dbraw/zinc/28/53/30/818285330.db2.gz FSALZKPVYGTQAV-UHFFFAOYSA-N 1 2 394.393 4.039 20 0 GIADLO COc1cc(C[N@@H+](CC(=O)Nc2cccc(F)c2)C2CC2)ccc1OC(F)F ZINC000015036374 818285337 /nfs/dbraw/zinc/28/53/37/818285337.db2.gz FSALZKPVYGTQAV-UHFFFAOYSA-N 1 2 394.393 4.039 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c(OC)c1 ZINC000015041868 818285809 /nfs/dbraw/zinc/28/58/09/818285809.db2.gz HWUOPPCYIMVTMC-CQSZACIVSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c(OC)c1 ZINC000015041868 818285816 /nfs/dbraw/zinc/28/58/16/818285816.db2.gz HWUOPPCYIMVTMC-CQSZACIVSA-N 1 2 376.884 4.125 20 0 GIADLO CCOc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2CC)cc1OCC ZINC000015547296 818336332 /nfs/dbraw/zinc/33/63/32/818336332.db2.gz LUHAPPSOARQMHD-KRWDZBQOSA-N 1 2 388.533 4.493 20 0 GIADLO CCOc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2CC)cc1OCC ZINC000015547296 818336337 /nfs/dbraw/zinc/33/63/37/818336337.db2.gz LUHAPPSOARQMHD-KRWDZBQOSA-N 1 2 388.533 4.493 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3F)no2)c(OC)c1 ZINC000188938100 823330764 /nfs/dbraw/zinc/33/07/64/823330764.db2.gz ONTXDGRTIIXCQR-GOSISDBHSA-N 1 2 383.423 4.230 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3F)no2)c(OC)c1 ZINC000188938100 823330775 /nfs/dbraw/zinc/33/07/75/823330775.db2.gz ONTXDGRTIIXCQR-GOSISDBHSA-N 1 2 383.423 4.230 20 0 GIADLO Cc1cc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1-c1ccccc1 ZINC000460252005 823331092 /nfs/dbraw/zinc/33/10/92/823331092.db2.gz AVJLGWAJKARAHF-JOCHJYFZSA-N 1 2 393.531 4.381 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)C1 ZINC000409874649 823332760 /nfs/dbraw/zinc/33/27/60/823332760.db2.gz LBGSGGINPLKNFA-CYBMUJFWSA-N 1 2 389.286 4.147 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2ccc(Cl)cc2n1 ZINC000176956895 823334275 /nfs/dbraw/zinc/33/42/75/823334275.db2.gz FUIRYGMXUSBNOX-UHFFFAOYSA-N 1 2 376.847 4.063 20 0 GIADLO CN(Cc1cccc(Cl)c1Cl)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000572411899 823334507 /nfs/dbraw/zinc/33/45/07/823334507.db2.gz JDIOWBDNYNEVIZ-UHFFFAOYSA-N 1 2 388.298 4.439 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(SC)c2)c1 ZINC000016352181 818427742 /nfs/dbraw/zinc/42/77/42/818427742.db2.gz XCWNTLLUGYMOSH-LJQANCHMSA-N 1 2 386.517 4.201 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(SC)c2)c1 ZINC000016352181 818427746 /nfs/dbraw/zinc/42/77/46/818427746.db2.gz XCWNTLLUGYMOSH-LJQANCHMSA-N 1 2 386.517 4.201 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1cccc(F)c1 ZINC000016585363 818456169 /nfs/dbraw/zinc/45/61/69/818456169.db2.gz XPTIERDROFTYQS-GOSISDBHSA-N 1 2 397.475 4.290 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1cccc(F)c1 ZINC000016585363 818456175 /nfs/dbraw/zinc/45/61/75/818456175.db2.gz XPTIERDROFTYQS-GOSISDBHSA-N 1 2 397.475 4.290 20 0 GIADLO Cc1sc2nc([C@@H](C)[N@H+](C)CCOc3ccc(Cl)cc3)[nH]c(=O)c2c1C ZINC000016633015 818461146 /nfs/dbraw/zinc/46/11/46/818461146.db2.gz BGPUSUJKOSEENB-GFCCVEGCSA-N 1 2 391.924 4.327 20 0 GIADLO Cc1sc2nc([C@@H](C)[N@@H+](C)CCOc3ccc(Cl)cc3)[nH]c(=O)c2c1C ZINC000016633015 818461153 /nfs/dbraw/zinc/46/11/53/818461153.db2.gz BGPUSUJKOSEENB-GFCCVEGCSA-N 1 2 391.924 4.327 20 0 GIADLO S=c1n(CCc2ccccn2)cnn1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000057837918 823339918 /nfs/dbraw/zinc/33/99/18/823339918.db2.gz ARQBEOOVRKTXSP-OAQYLSRUSA-N 1 2 391.544 4.161 20 0 GIADLO S=c1n(CCc2ccccn2)cnn1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000057837918 823339924 /nfs/dbraw/zinc/33/99/24/823339924.db2.gz ARQBEOOVRKTXSP-OAQYLSRUSA-N 1 2 391.544 4.161 20 0 GIADLO S=c1n(CCc2ccccn2)cnn1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000057837914 823340027 /nfs/dbraw/zinc/34/00/27/823340027.db2.gz ARQBEOOVRKTXSP-NRFANRHFSA-N 1 2 391.544 4.161 20 0 GIADLO S=c1n(CCc2ccccn2)cnn1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000057837914 823340033 /nfs/dbraw/zinc/34/00/33/823340033.db2.gz ARQBEOOVRKTXSP-NRFANRHFSA-N 1 2 391.544 4.161 20 0 GIADLO C[N@@H+](Cc1ccc(Br)s1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000016874977 818486409 /nfs/dbraw/zinc/48/64/09/818486409.db2.gz XYUDCCBVVHCJLJ-UHFFFAOYSA-N 1 2 387.686 4.161 20 0 GIADLO C[N@H+](Cc1ccc(Br)s1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000016874977 818486413 /nfs/dbraw/zinc/48/64/13/818486413.db2.gz XYUDCCBVVHCJLJ-UHFFFAOYSA-N 1 2 387.686 4.161 20 0 GIADLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000020543255 818624625 /nfs/dbraw/zinc/62/46/25/818624625.db2.gz ZIHPTIKIYNQZOU-UHFFFAOYSA-N 1 2 394.302 4.352 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)s1 ZINC000020542095 818624659 /nfs/dbraw/zinc/62/46/59/818624659.db2.gz YKPWONKUIYEWGL-UHFFFAOYSA-N 1 2 393.940 4.322 20 0 GIADLO Cc1csc(NC2CC[NH+](Cc3cc(F)cc(Br)c3)CC2)n1 ZINC000572504134 823350836 /nfs/dbraw/zinc/35/08/36/823350836.db2.gz BVXSBKZEUSHQNX-UHFFFAOYSA-N 1 2 384.318 4.430 20 0 GIADLO Cc1cccn2cc(COc3ccc(C(=O)Nc4cccc5[nH+]ccn54)cc3)nc12 ZINC000460332176 823356231 /nfs/dbraw/zinc/35/62/31/823356231.db2.gz CVWONHBWQWLNCH-UHFFFAOYSA-N 1 2 397.438 4.122 20 0 GIADLO CC(C)Oc1ccc(-c2nc(C(=O)Nc3cccc4[nH+]ccn43)cs2)cc1 ZINC000460334309 823356876 /nfs/dbraw/zinc/35/68/76/823356876.db2.gz KEPBJCGFIYIXAM-UHFFFAOYSA-N 1 2 378.457 4.497 20 0 GIADLO CCOc1ccccc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000022283609 818789583 /nfs/dbraw/zinc/78/95/83/818789583.db2.gz ZELWBVRSHSSVED-UHFFFAOYSA-N 1 2 393.512 4.352 20 0 GIADLO CCOc1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000022283609 818789589 /nfs/dbraw/zinc/78/95/89/818789589.db2.gz ZELWBVRSHSSVED-UHFFFAOYSA-N 1 2 393.512 4.352 20 0 GIADLO O=C(CCCc1nc2ccccc2s1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000058140182 823364558 /nfs/dbraw/zinc/36/45/58/823364558.db2.gz FIFQKKVIJKTQOD-UHFFFAOYSA-N 1 2 385.558 4.025 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2coc3ccc(F)cc23)C[C@@H](C)O1 ZINC000572604171 823368335 /nfs/dbraw/zinc/36/83/35/823368335.db2.gz HFBJUZVTGOYWFQ-HUUCEWRRSA-N 1 2 382.435 4.433 20 0 GIADLO CCC(CC)[C@H](CNC(=O)c1sc2ccccc2c1Cl)[NH+]1CCOCC1 ZINC000022755483 818856520 /nfs/dbraw/zinc/85/65/20/818856520.db2.gz WPCBDVWTNDXCEL-INIZCTEOSA-N 1 2 394.968 4.422 20 0 GIADLO CCC(CC)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)[NH+]1CCOCC1 ZINC000022755478 818856560 /nfs/dbraw/zinc/85/65/60/818856560.db2.gz WPCBDVWTNDXCEL-MRXNPFEDSA-N 1 2 394.968 4.422 20 0 GIADLO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000022773718 818858882 /nfs/dbraw/zinc/85/88/82/818858882.db2.gz IPSLKIAJSPWEHA-JXMROGBWSA-N 1 2 385.511 4.109 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000023238771 818916024 /nfs/dbraw/zinc/91/60/24/818916024.db2.gz ZZINJHJGSRMEPA-UHFFFAOYSA-N 1 2 388.496 4.494 20 0 GIADLO COc1ccc(F)cc1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000189201874 823374919 /nfs/dbraw/zinc/37/49/19/823374919.db2.gz OCPLZTZTDABTKT-UHFFFAOYSA-N 1 2 390.256 4.277 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Br)cn2C)c(Cl)c1 ZINC000177116698 823375026 /nfs/dbraw/zinc/37/50/26/823375026.db2.gz GMSMDQIKJJLGAV-LBPRGKRZSA-N 1 2 398.732 4.208 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Br)cn2C)c(Cl)c1 ZINC000177116698 823375033 /nfs/dbraw/zinc/37/50/33/823375033.db2.gz GMSMDQIKJJLGAV-LBPRGKRZSA-N 1 2 398.732 4.208 20 0 GIADLO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@H](C)Cn3cc[nH+]c3)cc12 ZINC000058296380 823375628 /nfs/dbraw/zinc/37/56/28/823375628.db2.gz SPHLQXJLOFSLKV-GFCCVEGCSA-N 1 2 399.907 4.064 20 0 GIADLO CC1(C)C[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c2ccccc2O1 ZINC000572656816 823377140 /nfs/dbraw/zinc/37/71/40/823377140.db2.gz TUPSXFIHTCJKHG-ZHALLVOQSA-N 1 2 379.504 4.266 20 0 GIADLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ncnc3c4ccccc4oc32)cc1 ZINC000024341676 819048223 /nfs/dbraw/zinc/04/82/23/819048223.db2.gz DJGUABKYLYTQPP-LJQANCHMSA-N 1 2 388.471 4.170 20 0 GIADLO O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000572717560 823388268 /nfs/dbraw/zinc/38/82/68/823388268.db2.gz HCPNYVSSSMWJIG-PMACEKPBSA-N 1 2 375.476 4.032 20 0 GIADLO CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC000572769261 823395590 /nfs/dbraw/zinc/39/55/90/823395590.db2.gz VELLQSJORDHSMC-ZDUSSCGKSA-N 1 2 387.871 4.375 20 0 GIADLO O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410136332 823399072 /nfs/dbraw/zinc/39/90/72/823399072.db2.gz VLZVGCHKHKRSGS-UHFFFAOYSA-N 1 2 393.450 4.498 20 0 GIADLO CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410148027 823401966 /nfs/dbraw/zinc/40/19/66/823401966.db2.gz OJUDSKZXZAIESK-UHFFFAOYSA-N 1 2 395.484 4.299 20 0 GIADLO Fc1ccc(Cn2cc(C[NH2+][C@@H](c3cccc(F)c3)c3ccccn3)cn2)cc1 ZINC000189378884 823404156 /nfs/dbraw/zinc/40/41/56/823404156.db2.gz IIZPECRRKXOOJZ-QHCPKHFHSA-N 1 2 390.437 4.484 20 0 GIADLO C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000572843404 823408459 /nfs/dbraw/zinc/40/84/59/823408459.db2.gz CWMWAIPSEYOOGA-HSZRJFAPSA-N 1 2 377.463 4.308 20 0 GIADLO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)NC1CCN(c2cccc[nH+]2)CC1 ZINC000058532536 823405183 /nfs/dbraw/zinc/40/51/83/823405183.db2.gz YJWCKULMVKRNES-UHFFFAOYSA-N 1 2 384.483 4.443 20 0 GIADLO Cc1cccn2cc(CC(=O)Nc3cccc4cc(Br)cnc43)[nH+]c12 ZINC000572827722 823406372 /nfs/dbraw/zinc/40/63/72/823406372.db2.gz FWSRKFORRHINPB-UHFFFAOYSA-N 1 2 395.260 4.135 20 0 GIADLO Cc1ccc(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)s1 ZINC000410176540 823411315 /nfs/dbraw/zinc/41/13/15/823411315.db2.gz LLYIFPUTNJXFFE-KRWDZBQOSA-N 1 2 395.931 4.485 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ccccc2Br)CC1 ZINC000058579479 823412264 /nfs/dbraw/zinc/41/22/64/823412264.db2.gz GXDXRGQAJZBIKH-UHFFFAOYSA-N 1 2 379.342 4.064 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2ccccc2Br)CC1 ZINC000058579479 823412266 /nfs/dbraw/zinc/41/22/66/823412266.db2.gz GXDXRGQAJZBIKH-UHFFFAOYSA-N 1 2 379.342 4.064 20 0 GIADLO CC(=O)c1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1Cl ZINC000572885903 823413687 /nfs/dbraw/zinc/41/36/87/823413687.db2.gz RAWOSODUXJTRBT-UHFFFAOYSA-N 1 2 382.851 4.109 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000572891061 823414862 /nfs/dbraw/zinc/41/48/62/823414862.db2.gz RYIAKRSFTZAVTC-UHFFFAOYSA-N 1 2 385.899 4.322 20 0 GIADLO COc1ccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c(Cl)c1OC ZINC000572889712 823414988 /nfs/dbraw/zinc/41/49/88/823414988.db2.gz YMHIAXUAGDYWAV-GOEBONIOSA-N 1 2 393.936 4.358 20 0 GIADLO COc1ccc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c(Cl)c1OC ZINC000572889712 823414994 /nfs/dbraw/zinc/41/49/94/823414994.db2.gz YMHIAXUAGDYWAV-GOEBONIOSA-N 1 2 393.936 4.358 20 0 GIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC3(CCC3)[C@H]2C2CC2)c(C)c1 ZINC000572900286 823416731 /nfs/dbraw/zinc/41/67/31/823416731.db2.gz MIGHAXIKPFHHBC-NHCUHLMSSA-N 1 2 378.520 4.215 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000122815655 823417281 /nfs/dbraw/zinc/41/72/81/823417281.db2.gz UBNJLRAMWWNRJG-UTKZUKDTSA-N 1 2 393.462 4.325 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C(C)C ZINC000122815687 823417315 /nfs/dbraw/zinc/41/73/15/823417315.db2.gz VBCZLXNMOWILPA-KRWDZBQOSA-N 1 2 385.508 4.199 20 0 GIADLO Cc1csc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c1I ZINC000189467093 823423183 /nfs/dbraw/zinc/42/31/83/823423183.db2.gz VYHGUAVLAGSPJG-UHFFFAOYSA-N 1 2 386.258 4.234 20 0 GIADLO C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000460538379 823424311 /nfs/dbraw/zinc/42/43/11/823424311.db2.gz IIGQZJJFROVQLK-KRWDZBQOSA-N 1 2 394.906 4.045 20 0 GIADLO CC(C)[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccc(F)cc1 ZINC000410209440 823420574 /nfs/dbraw/zinc/42/05/74/823420574.db2.gz VKBCTSBHIJGOGL-DYESRHJHSA-N 1 2 384.499 4.006 20 0 GIADLO COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)s1 ZINC000572924951 823420727 /nfs/dbraw/zinc/42/07/27/823420727.db2.gz OZELDRWYXJQVIS-UHFFFAOYSA-N 1 2 390.896 4.424 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC=C(c2c(F)cccc2F)CC1 ZINC000572926803 823421129 /nfs/dbraw/zinc/42/11/29/823421129.db2.gz NOCUWXWLCFUIFE-UHFFFAOYSA-N 1 2 393.437 4.068 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(-c3nccs3)c2)c1C ZINC000058635463 823421251 /nfs/dbraw/zinc/42/12/51/823421251.db2.gz QFRQOYGZQLMMFQ-UHFFFAOYSA-N 1 2 382.489 4.494 20 0 GIADLO O=C(CCn1cc[nH+]c1)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000460552460 823429520 /nfs/dbraw/zinc/42/95/20/823429520.db2.gz GQUZGDFCXVLTSU-LJQANCHMSA-N 1 2 375.806 4.111 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCCC(F)(F)C3)c2C1 ZINC000410248887 823433608 /nfs/dbraw/zinc/43/36/08/823433608.db2.gz LEBPFTLLQZQMDI-HNNXBMFYSA-N 1 2 387.474 4.168 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCCC(F)(F)C3)c2C1 ZINC000410248887 823433611 /nfs/dbraw/zinc/43/36/11/823433611.db2.gz LEBPFTLLQZQMDI-HNNXBMFYSA-N 1 2 387.474 4.168 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ncsc3C(C)C)CC2)s1 ZINC000573013243 823433703 /nfs/dbraw/zinc/43/37/03/823433703.db2.gz GGAUYKJAFZBMMA-UHFFFAOYSA-N 1 2 378.567 4.240 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(N2CCCCC2)cc1 ZINC000122920541 823434274 /nfs/dbraw/zinc/43/42/74/823434274.db2.gz GNWBTZJSUOGMEV-UHFFFAOYSA-N 1 2 389.503 4.243 20 0 GIADLO CSCc1c2ccccc2oc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024747842 819872796 /nfs/dbraw/zinc/87/27/96/819872796.db2.gz WVSRIPMECKUXGE-UHFFFAOYSA-N 1 2 391.496 4.471 20 0 GIADLO O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410255858 823436019 /nfs/dbraw/zinc/43/60/19/823436019.db2.gz LCDFIIQYIZLQAV-OWCLPIDISA-N 1 2 383.458 4.294 20 0 GIADLO CC[N@@H+](Cc1cc(-c2c(OC)ccc3ccccc32)no1)C[C@H](O)C(F)(F)F ZINC000189526969 823437672 /nfs/dbraw/zinc/43/76/72/823437672.db2.gz QPEQMYOGRFKLFE-SFHVURJKSA-N 1 2 394.393 4.249 20 0 GIADLO CC[N@H+](Cc1cc(-c2c(OC)ccc3ccccc32)no1)C[C@H](O)C(F)(F)F ZINC000189526969 823437674 /nfs/dbraw/zinc/43/76/74/823437674.db2.gz QPEQMYOGRFKLFE-SFHVURJKSA-N 1 2 394.393 4.249 20 0 GIADLO CCC[C@@H](NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000025055135 819916363 /nfs/dbraw/zinc/91/63/63/819916363.db2.gz IBEPGTHKHBINMC-JOCHJYFZSA-N 1 2 378.516 4.239 20 0 GIADLO O=C(CCSCc1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410262980 823439242 /nfs/dbraw/zinc/43/92/42/823439242.db2.gz GNADMBUPLRXWDV-IBGZPJMESA-N 1 2 383.561 4.249 20 0 GIADLO O=C(c1ccccc1OC(F)(F)F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410266000 823440709 /nfs/dbraw/zinc/44/07/09/823440709.db2.gz OJTLFTGQTKGZAT-CQSZACIVSA-N 1 2 393.409 4.138 20 0 GIADLO C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1OC(F)(F)F)c1ccc(F)cc1 ZINC000025244529 819949302 /nfs/dbraw/zinc/94/93/02/819949302.db2.gz NCKRERHIHCYPSR-ZDUSSCGKSA-N 1 2 384.373 4.034 20 0 GIADLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1OC(F)(F)F)c1ccc(F)cc1 ZINC000025244529 819949308 /nfs/dbraw/zinc/94/93/08/819949308.db2.gz NCKRERHIHCYPSR-ZDUSSCGKSA-N 1 2 384.373 4.034 20 0 GIADLO CCOCc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000189549112 823441665 /nfs/dbraw/zinc/44/16/65/823441665.db2.gz PIGUHHVTNIMBAK-VQTJNVASSA-N 1 2 389.446 4.068 20 0 GIADLO CCOCc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000189549112 823441669 /nfs/dbraw/zinc/44/16/69/823441669.db2.gz PIGUHHVTNIMBAK-VQTJNVASSA-N 1 2 389.446 4.068 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000025416011 819977146 /nfs/dbraw/zinc/97/71/46/819977146.db2.gz RFIQNZPKPMRLLM-QFIPXVFZSA-N 1 2 395.890 4.370 20 0 GIADLO C[C@@H](NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1)c1ccccc1Cl ZINC000025420294 819977769 /nfs/dbraw/zinc/97/77/69/819977769.db2.gz LNMACBFJUGOEKD-OPAMFIHVSA-N 1 2 379.891 4.291 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(Cl)ccc2Br)C[C@H]1n1cc[nH+]c1 ZINC000123001635 823446412 /nfs/dbraw/zinc/44/64/12/823446412.db2.gz SLNRBSCADPCFHD-XHDPSFHLSA-N 1 2 382.689 4.022 20 0 GIADLO Cc1cc(OC(F)F)c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000410271503 823443266 /nfs/dbraw/zinc/44/32/66/823443266.db2.gz VTAHLEZYFRGEMI-ZDUSSCGKSA-N 1 2 395.475 4.211 20 0 GIADLO COc1cc(N2CCOC(C)(C)C2)ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000122979407 823443307 /nfs/dbraw/zinc/44/33/07/823443307.db2.gz PHFXDTDNLPYNEE-UHFFFAOYSA-N 1 2 392.503 4.108 20 0 GIADLO Cc1cc(CSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)no1 ZINC000025743873 820021010 /nfs/dbraw/zinc/02/10/10/820021010.db2.gz LPQZYFVPHXMNPZ-INIZCTEOSA-N 1 2 383.521 4.403 20 0 GIADLO Cc1cc(OCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1C(C)C ZINC000410294484 823453056 /nfs/dbraw/zinc/45/30/56/823453056.db2.gz ZWWVCHIHJGCIIW-LJQANCHMSA-N 1 2 395.547 4.436 20 0 GIADLO CC[N@H+](C)[C@@H](c1nc([C@H](NC(=O)c2ccccc2)C(C)C)no1)c1ccccc1 ZINC000573097993 823447141 /nfs/dbraw/zinc/44/71/41/823447141.db2.gz SEKBIBNOAKFVQS-WOJBJXKFSA-N 1 2 392.503 4.238 20 0 GIADLO CC[N@@H+](C)[C@@H](c1nc([C@H](NC(=O)c2ccccc2)C(C)C)no1)c1ccccc1 ZINC000573097993 823447144 /nfs/dbraw/zinc/44/71/44/823447144.db2.gz SEKBIBNOAKFVQS-WOJBJXKFSA-N 1 2 392.503 4.238 20 0 GIADLO O=C(CCSc1ccc(F)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281658 823447236 /nfs/dbraw/zinc/44/72/36/823447236.db2.gz LSMLJGUIUBKRSP-INIZCTEOSA-N 1 2 387.524 4.247 20 0 GIADLO O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281935 823447245 /nfs/dbraw/zinc/44/72/45/823447245.db2.gz NDLHHBXUIHXUJV-AWEZNQCLSA-N 1 2 395.400 4.397 20 0 GIADLO O=C(NCc1ccc2ccccc2c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058794491 823453148 /nfs/dbraw/zinc/45/31/48/823453148.db2.gz AOBANOUOSUDHMT-JOCHJYFZSA-N 1 2 376.525 4.246 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000025918088 820039139 /nfs/dbraw/zinc/03/91/39/820039139.db2.gz QYCCQVMKGRTWIM-UHFFFAOYSA-N 1 2 387.842 4.106 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000025918088 820039148 /nfs/dbraw/zinc/03/91/48/820039148.db2.gz QYCCQVMKGRTWIM-UHFFFAOYSA-N 1 2 387.842 4.106 20 0 GIADLO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000573106152 823448848 /nfs/dbraw/zinc/44/88/48/823448848.db2.gz IOWKSJUCYCXWCQ-MQNAVGNWSA-N 1 2 389.499 4.354 20 0 GIADLO COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000573106152 823448851 /nfs/dbraw/zinc/44/88/51/823448851.db2.gz IOWKSJUCYCXWCQ-MQNAVGNWSA-N 1 2 389.499 4.354 20 0 GIADLO Cc1ccc(C(C)C)cc1OCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000026214643 820070040 /nfs/dbraw/zinc/07/00/40/820070040.db2.gz YMKQMTIOBOAOJR-UHFFFAOYSA-N 1 2 391.515 4.101 20 0 GIADLO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000026214650 820070211 /nfs/dbraw/zinc/07/02/11/820070211.db2.gz RISBSCFLDDTGGD-KRWDZBQOSA-N 1 2 397.906 4.019 20 0 GIADLO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000573123734 823450531 /nfs/dbraw/zinc/45/05/31/823450531.db2.gz LTMNUNLHKUZPCY-QIIPPGSGSA-N 1 2 377.410 4.074 20 0 GIADLO C[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410290022 823450994 /nfs/dbraw/zinc/45/09/94/823450994.db2.gz NVJQPXJLYYIKEZ-JKSUJKDBSA-N 1 2 387.911 4.046 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(-c2ccccc2)no1 ZINC000026330475 820085291 /nfs/dbraw/zinc/08/52/91/820085291.db2.gz NEMOIKBPYKTXCA-UHFFFAOYSA-N 1 2 379.460 4.201 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(-c2ccccc2)no1 ZINC000026330475 820085300 /nfs/dbraw/zinc/08/53/00/820085300.db2.gz NEMOIKBPYKTXCA-UHFFFAOYSA-N 1 2 379.460 4.201 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(C)C)cc1OC(F)F ZINC000026452480 820099124 /nfs/dbraw/zinc/09/91/24/820099124.db2.gz NAEIIMWQZWSNEX-UHFFFAOYSA-N 1 2 392.446 4.491 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(C)C)cc1OC(F)F ZINC000026452480 820099133 /nfs/dbraw/zinc/09/91/33/820099133.db2.gz NAEIIMWQZWSNEX-UHFFFAOYSA-N 1 2 392.446 4.491 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1OC(F)F ZINC000026454122 820100186 /nfs/dbraw/zinc/10/01/86/820100186.db2.gz LLIVEGKCXMFKMY-UHFFFAOYSA-N 1 2 378.419 4.066 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1OC(F)F ZINC000026454122 820100193 /nfs/dbraw/zinc/10/01/93/820100193.db2.gz LLIVEGKCXMFKMY-UHFFFAOYSA-N 1 2 378.419 4.066 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccccc2CC)ccc1OC(F)F ZINC000026454646 820100384 /nfs/dbraw/zinc/10/03/84/820100384.db2.gz LCNDKIINWGRIHO-UHFFFAOYSA-N 1 2 392.446 4.320 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2CC)ccc1OC(F)F ZINC000026454646 820100387 /nfs/dbraw/zinc/10/03/87/820100387.db2.gz LCNDKIINWGRIHO-UHFFFAOYSA-N 1 2 392.446 4.320 20 0 GIADLO CC(=O)Nc1cccc(Nc2nn(C[NH+]3CCC(C)CC3)c(=S)s2)c1 ZINC000026552181 820112635 /nfs/dbraw/zinc/11/26/35/820112635.db2.gz VTZAAERJSJWPGC-UHFFFAOYSA-N 1 2 377.539 4.065 20 0 GIADLO Cc1cc(Br)cn2c(CN3CC(C)(C)[C@@H]3c3ccncc3)c[nH+]c12 ZINC000573153021 823456203 /nfs/dbraw/zinc/45/62/03/823456203.db2.gz LRJHECISPOVMSV-KRWDZBQOSA-N 1 2 385.309 4.383 20 0 GIADLO CC[N@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)Cc1ccc(Cl)s1 ZINC000026808024 820147798 /nfs/dbraw/zinc/14/77/98/820147798.db2.gz GZLFATQAFTVMNY-HXUWFJFHSA-N 1 2 392.952 4.500 20 0 GIADLO CC[N@@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)Cc1ccc(Cl)s1 ZINC000026808024 820147804 /nfs/dbraw/zinc/14/78/04/820147804.db2.gz GZLFATQAFTVMNY-HXUWFJFHSA-N 1 2 392.952 4.500 20 0 GIADLO CC[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccc(Cl)s1 ZINC000026808446 820147894 /nfs/dbraw/zinc/14/78/94/820147894.db2.gz KZJSHPAQCVXQCY-UHFFFAOYSA-N 1 2 387.936 4.290 20 0 GIADLO CC[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccc(Cl)s1 ZINC000026808446 820147901 /nfs/dbraw/zinc/14/79/01/820147901.db2.gz KZJSHPAQCVXQCY-UHFFFAOYSA-N 1 2 387.936 4.290 20 0 GIADLO Cc1ccc(OCCCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1 ZINC000410304512 823457419 /nfs/dbraw/zinc/45/74/19/823457419.db2.gz GUKFZKRSRKDHAE-FQEVSTJZSA-N 1 2 395.547 4.401 20 0 GIADLO CN(C)c1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1Cl ZINC000058820305 823458684 /nfs/dbraw/zinc/45/86/84/823458684.db2.gz RJDONJSFFFWPSV-LJQANCHMSA-N 1 2 389.952 4.135 20 0 GIADLO CC(C)c1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)nn1C(C)(C)C ZINC000410313472 823460062 /nfs/dbraw/zinc/46/00/62/823460062.db2.gz PYDYZNWYHAUZPK-UHFFFAOYSA-N 1 2 397.567 4.467 20 0 GIADLO O=C(CCCOc1ccc(F)cc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410313741 823460353 /nfs/dbraw/zinc/46/03/53/823460353.db2.gz WQPYXUABMVBCLU-UHFFFAOYSA-N 1 2 385.483 4.077 20 0 GIADLO CC[C@H](NC(=O)C[N@H+](C)Cc1ccc(OC)c(F)c1)c1ccc(Cl)cc1 ZINC000027211908 820210164 /nfs/dbraw/zinc/21/01/64/820210164.db2.gz WQGMKGDRLZZCPZ-SFHVURJKSA-N 1 2 378.875 4.187 20 0 GIADLO CC[C@H](NC(=O)C[N@@H+](C)Cc1ccc(OC)c(F)c1)c1ccc(Cl)cc1 ZINC000027211908 820210173 /nfs/dbraw/zinc/21/01/73/820210173.db2.gz WQGMKGDRLZZCPZ-SFHVURJKSA-N 1 2 378.875 4.187 20 0 GIADLO O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000027363823 820232018 /nfs/dbraw/zinc/23/20/18/820232018.db2.gz XOASSQIISYDQSC-JOCHJYFZSA-N 1 2 391.540 4.246 20 0 GIADLO Cc1ccc(SCCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000027471284 820249025 /nfs/dbraw/zinc/24/90/25/820249025.db2.gz DJPFYKDHGHAABB-UHFFFAOYSA-N 1 2 379.529 4.081 20 0 GIADLO COc1ccc([C@H](CNC(=O)c2ccc(O)c(Cl)c2)[NH+]2CCCCC2)cc1 ZINC000027667239 820273186 /nfs/dbraw/zinc/27/31/86/820273186.db2.gz ZQHMTBWOTMFSOB-IBGZPJMESA-N 1 2 388.895 4.011 20 0 GIADLO COc1ccccc1C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000058889668 823466847 /nfs/dbraw/zinc/46/68/47/823466847.db2.gz BSTIWFWZXMGOMW-UHFFFAOYSA-N 1 2 385.817 4.085 20 0 GIADLO COc1cccc(NC(=O)[C@@H]([NH2+]Cc2cc(C)ccc2OC)c2ccccc2)c1 ZINC000028374568 820329903 /nfs/dbraw/zinc/32/99/03/820329903.db2.gz ZTHXJBVEVLMGMO-QHCPKHFHSA-N 1 2 390.483 4.482 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CSc3ccc(F)cc3)n2)C1 ZINC000028682426 820349727 /nfs/dbraw/zinc/34/97/27/820349727.db2.gz VJYXARRRNYANHT-ZDUSSCGKSA-N 1 2 379.526 4.245 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CSc3ccc(F)cc3)n2)C1 ZINC000028682426 820349736 /nfs/dbraw/zinc/34/97/36/820349736.db2.gz VJYXARRRNYANHT-ZDUSSCGKSA-N 1 2 379.526 4.245 20 0 GIADLO Cc1ccc(Cl)c(OCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000028681927 820350162 /nfs/dbraw/zinc/35/01/62/820350162.db2.gz ZUQZEUUMXXWQAF-CQSZACIVSA-N 1 2 393.940 4.354 20 0 GIADLO Cc1ccc(Cl)c(OCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000028681927 820350173 /nfs/dbraw/zinc/35/01/73/820350173.db2.gz ZUQZEUUMXXWQAF-CQSZACIVSA-N 1 2 393.940 4.354 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(-n4cccc4)cc3)n2)C1 ZINC000028684058 820350841 /nfs/dbraw/zinc/35/08/41/820350841.db2.gz REDJLMAXVUNZFV-MRXNPFEDSA-N 1 2 380.517 4.418 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(-n4cccc4)cc3)n2)C1 ZINC000028684058 820350852 /nfs/dbraw/zinc/35/08/52/820350852.db2.gz REDJLMAXVUNZFV-MRXNPFEDSA-N 1 2 380.517 4.418 20 0 GIADLO CCOc1ccccc1CCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000028683924 820350874 /nfs/dbraw/zinc/35/08/74/820350874.db2.gz QMASCUYHAHPLFW-MRXNPFEDSA-N 1 2 387.549 4.345 20 0 GIADLO CCOc1ccccc1CCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000028683924 820350885 /nfs/dbraw/zinc/35/08/85/820350885.db2.gz QMASCUYHAHPLFW-MRXNPFEDSA-N 1 2 387.549 4.345 20 0 GIADLO COc1cc(NC(=O)C[N@H+](C)Cc2cccc(Cl)c2)c(OC)cc1Cl ZINC000028959939 820377421 /nfs/dbraw/zinc/37/74/21/820377421.db2.gz AABGBGJZKSDLRW-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1cc(NC(=O)C[N@@H+](C)Cc2cccc(Cl)c2)c(OC)cc1Cl ZINC000028959939 820377431 /nfs/dbraw/zinc/37/74/31/820377431.db2.gz AABGBGJZKSDLRW-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)COc2ccccc2-c2ccccc2)c1C ZINC000058958612 823476457 /nfs/dbraw/zinc/47/64/57/823476457.db2.gz DGLMMXCHQPKFRG-UHFFFAOYSA-N 1 2 390.483 4.411 20 0 GIADLO Cc1cccc(CCCOCCOC(=O)c2csc(-c3ccccc3)n2)[nH+]1 ZINC000123198201 823477824 /nfs/dbraw/zinc/47/78/24/823477824.db2.gz IQEMLHRTDYVGOM-UHFFFAOYSA-N 1 2 382.485 4.320 20 0 GIADLO C/C(=C\C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000177504141 823478553 /nfs/dbraw/zinc/47/85/53/823478553.db2.gz IXKMXXGXOCKJJG-CKWWRACOSA-N 1 2 377.410 4.415 20 0 GIADLO C[N@H+](Cn1nc(-c2ccncc2)n(C2CC2)c1=S)[C@H]1CCc2ccccc21 ZINC000029312559 820435297 /nfs/dbraw/zinc/43/52/97/820435297.db2.gz XQSBJVYXCOZPFX-IBGZPJMESA-N 1 2 377.517 4.388 20 0 GIADLO C[N@@H+](Cn1nc(-c2ccncc2)n(C2CC2)c1=S)[C@H]1CCc2ccccc21 ZINC000029312559 820435302 /nfs/dbraw/zinc/43/53/02/820435302.db2.gz XQSBJVYXCOZPFX-IBGZPJMESA-N 1 2 377.517 4.388 20 0 GIADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cn(C)c3ccccc23)CC1 ZINC000029364021 820443744 /nfs/dbraw/zinc/44/37/44/820443744.db2.gz TYZJZEAECVJQGB-INIZCTEOSA-N 1 2 381.907 4.351 20 0 GIADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000029365004 820443880 /nfs/dbraw/zinc/44/38/80/820443880.db2.gz KACYLUKPFAIBLX-SXSDINLZSA-N 1 2 379.891 4.130 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCSc4ccccc43)CC2)cc1 ZINC000460687187 823479835 /nfs/dbraw/zinc/47/98/35/823479835.db2.gz LIAGTRVEWCGFCA-OAQYLSRUSA-N 1 2 396.556 4.009 20 0 GIADLO CC[C@@](C)(O)C[N@H+](Cc1nnc(Cc2ccccc2C)o1)Cc1ccccc1 ZINC000189723031 823482487 /nfs/dbraw/zinc/48/24/87/823482487.db2.gz LPNMHRGBRCOJAW-HSZRJFAPSA-N 1 2 379.504 4.132 20 0 GIADLO CC[C@@](C)(O)C[N@@H+](Cc1nnc(Cc2ccccc2C)o1)Cc1ccccc1 ZINC000189723031 823482489 /nfs/dbraw/zinc/48/24/89/823482489.db2.gz LPNMHRGBRCOJAW-HSZRJFAPSA-N 1 2 379.504 4.132 20 0 GIADLO CCCOc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1OCC ZINC000029667937 820495627 /nfs/dbraw/zinc/49/56/27/820495627.db2.gz AKTWIRYTQQYPOC-UHFFFAOYSA-N 1 2 393.487 4.049 20 0 GIADLO Cc1ccc(NC(=O)CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c(C)c1 ZINC000029684680 820497215 /nfs/dbraw/zinc/49/72/15/820497215.db2.gz MBLZYAPSDWUJLA-GOSISDBHSA-N 1 2 385.939 4.274 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000029707605 820502500 /nfs/dbraw/zinc/50/25/00/820502500.db2.gz BIKLJXBLQGXHHS-UHFFFAOYSA-N 1 2 379.891 4.236 20 0 GIADLO O=C(c1ccccc1)N1CCC[N@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000029707605 820502505 /nfs/dbraw/zinc/50/25/05/820502505.db2.gz BIKLJXBLQGXHHS-UHFFFAOYSA-N 1 2 379.891 4.236 20 0 GIADLO Cc1ccc(C[C@@H](C)N(C)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000123277305 823489486 /nfs/dbraw/zinc/48/94/86/823489486.db2.gz WABVSEKOHHTWIM-LJQANCHMSA-N 1 2 380.536 4.153 20 0 GIADLO Cc1ccc(-n2nc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c3c2CCC3)cc1 ZINC000029787572 820518448 /nfs/dbraw/zinc/51/84/48/820518448.db2.gz BDHPCYJQYYPKAR-UHFFFAOYSA-N 1 2 383.455 4.107 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029825091 820524987 /nfs/dbraw/zinc/52/49/87/820524987.db2.gz JTMDMMQUHHZGHX-MAUKXSAKSA-N 1 2 391.471 4.237 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029825091 820524992 /nfs/dbraw/zinc/52/49/92/820524992.db2.gz JTMDMMQUHHZGHX-MAUKXSAKSA-N 1 2 391.471 4.237 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cs1 ZINC000029827093 820525608 /nfs/dbraw/zinc/52/56/08/820525608.db2.gz RNUBODPXILFRIV-OAHLLOKOSA-N 1 2 384.505 4.037 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cs1 ZINC000029827093 820525613 /nfs/dbraw/zinc/52/56/13/820525613.db2.gz RNUBODPXILFRIV-OAHLLOKOSA-N 1 2 384.505 4.037 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000029914105 820547439 /nfs/dbraw/zinc/54/74/39/820547439.db2.gz AYJNFPHCAUAYCE-GOSISDBHSA-N 1 2 396.450 4.017 20 0 GIADLO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029915258 820547556 /nfs/dbraw/zinc/54/75/56/820547556.db2.gz BAMPOIVZOPGTRW-UHFFFAOYSA-N 1 2 393.834 4.147 20 0 GIADLO CCc1onc(C)c1NC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189751175 823487961 /nfs/dbraw/zinc/48/79/61/823487961.db2.gz ZCSGWIYJSUZIBJ-MAUKXSAKSA-N 1 2 394.878 4.295 20 0 GIADLO CCc1onc(C)c1NC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189751175 823487963 /nfs/dbraw/zinc/48/79/63/823487963.db2.gz ZCSGWIYJSUZIBJ-MAUKXSAKSA-N 1 2 394.878 4.295 20 0 GIADLO Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1NC(=O)c1ccco1 ZINC000029951411 820555918 /nfs/dbraw/zinc/55/59/18/820555918.db2.gz MVHZOOLSNAEHSB-UHFFFAOYSA-N 1 2 386.411 4.278 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000030220203 820588896 /nfs/dbraw/zinc/58/88/96/820588896.db2.gz LCEQAFDFFRGIGV-UHFFFAOYSA-N 1 2 384.483 4.222 20 0 GIADLO O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030221118 820589113 /nfs/dbraw/zinc/58/91/13/820589113.db2.gz DVCJXIJMZRMTQC-UHFFFAOYSA-N 1 2 381.479 4.457 20 0 GIADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+](C)Cc1ccc(Br)o1 ZINC000030218289 820589194 /nfs/dbraw/zinc/58/91/94/820589194.db2.gz DNNHPDDEFKVSBO-LBPRGKRZSA-N 1 2 395.322 4.001 20 0 GIADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030218289 820589198 /nfs/dbraw/zinc/58/91/98/820589198.db2.gz DNNHPDDEFKVSBO-LBPRGKRZSA-N 1 2 395.322 4.001 20 0 GIADLO COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000410413780 823490370 /nfs/dbraw/zinc/49/03/70/823490370.db2.gz NPSAMFQINHRWPQ-DYVFJYSZSA-N 1 2 376.547 4.177 20 0 GIADLO COC(=O)[C@H](c1ccsc1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000410413780 823490371 /nfs/dbraw/zinc/49/03/71/823490371.db2.gz NPSAMFQINHRWPQ-DYVFJYSZSA-N 1 2 376.547 4.177 20 0 GIADLO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000573426868 823491922 /nfs/dbraw/zinc/49/19/22/823491922.db2.gz REFHYTMCCUSRRS-ROUUACIJSA-N 1 2 380.536 4.301 20 0 GIADLO CCCn1cc(C[NH2+][C@H](c2cccc(OC)c2)c2cc(F)ccc2OC)cn1 ZINC000177563091 823492165 /nfs/dbraw/zinc/49/21/65/823492165.db2.gz DLWFUDDEZGXTKG-JOCHJYFZSA-N 1 2 383.467 4.329 20 0 GIADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000030540771 820635889 /nfs/dbraw/zinc/63/58/89/820635889.db2.gz PLBXBSCUQWHEFV-UHFFFAOYSA-N 1 2 397.519 4.253 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000573433981 823492588 /nfs/dbraw/zinc/49/25/88/823492588.db2.gz IVGNHJXSQIOYIP-AWEZNQCLSA-N 1 2 384.842 4.130 20 0 GIADLO O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030605331 820648980 /nfs/dbraw/zinc/64/89/80/820648980.db2.gz WULKBFNNBFXGBE-UHFFFAOYSA-N 1 2 393.497 4.268 20 0 GIADLO COc1cc(OC)cc([C@H]([NH2+]Cc2ccc(C(C)C)cc2)c2nccn2C)c1 ZINC000030649035 820657841 /nfs/dbraw/zinc/65/78/41/820657841.db2.gz KFOQYLPSICUJED-QFIPXVFZSA-N 1 2 379.504 4.440 20 0 GIADLO COc1cc(OC)cc([C@H]([NH2+]Cc2cccc3ccccc32)c2nccn2C)c1 ZINC000030648843 820657950 /nfs/dbraw/zinc/65/79/50/820657950.db2.gz YSIFIUMFSWODNP-QHCPKHFHSA-N 1 2 387.483 4.470 20 0 GIADLO CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000177589639 823497298 /nfs/dbraw/zinc/49/72/98/823497298.db2.gz YQTCATFNQBLFJF-GOSISDBHSA-N 1 2 399.878 4.412 20 0 GIADLO CNC(=O)Cc1nc(C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)cs1 ZINC000177608965 823500429 /nfs/dbraw/zinc/50/04/29/823500429.db2.gz ABMUCRBVQKNWMQ-KRWDZBQOSA-N 1 2 377.941 4.202 20 0 GIADLO CNC(=O)Cc1nc(C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)cs1 ZINC000177608965 823500432 /nfs/dbraw/zinc/50/04/32/823500432.db2.gz ABMUCRBVQKNWMQ-KRWDZBQOSA-N 1 2 377.941 4.202 20 0 GIADLO O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000031164876 820757624 /nfs/dbraw/zinc/75/76/24/820757624.db2.gz WLXXABVZZFKURC-UHFFFAOYSA-N 1 2 396.487 4.218 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000031173320 820759098 /nfs/dbraw/zinc/75/90/98/820759098.db2.gz QSRNARPGAQJWRW-ZDUSSCGKSA-N 1 2 395.286 4.094 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000031173320 820759101 /nfs/dbraw/zinc/75/91/01/820759101.db2.gz QSRNARPGAQJWRW-ZDUSSCGKSA-N 1 2 395.286 4.094 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1csc(-c2ccccc2)n1 ZINC000060046800 823505836 /nfs/dbraw/zinc/50/58/36/823505836.db2.gz CDGCKROYBZORDY-UHFFFAOYSA-N 1 2 378.432 4.065 20 0 GIADLO O=C(C[C@H](Cc1ccccc1)c1ccccc1)NCCc1cn2c([nH+]1)CCCC2 ZINC000460768838 823507233 /nfs/dbraw/zinc/50/72/33/823507233.db2.gz GNFDDMMYUUVWJK-QFIPXVFZSA-N 1 2 387.527 4.295 20 0 GIADLO CCC(CC)[C@@H](C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000460770479 823507770 /nfs/dbraw/zinc/50/77/70/823507770.db2.gz RDTAPOCESNNCLX-KDOFPFPSSA-N 1 2 386.458 4.020 20 0 GIADLO CCC(CC)[C@@H](C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000460770480 823507840 /nfs/dbraw/zinc/50/78/40/823507840.db2.gz RDTAPOCESNNCLX-KSSFIOAISA-N 1 2 386.458 4.020 20 0 GIADLO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000177654482 823508094 /nfs/dbraw/zinc/50/80/94/823508094.db2.gz PXAOOXGCXJTAAR-AWEZNQCLSA-N 1 2 388.487 4.458 20 0 GIADLO C[C@@H](SCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000123430535 823508557 /nfs/dbraw/zinc/50/85/57/823508557.db2.gz MFHYHTKWXXVCTL-CQSZACIVSA-N 1 2 377.473 4.182 20 0 GIADLO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000177660668 823509551 /nfs/dbraw/zinc/50/95/51/823509551.db2.gz DPACPTAHNGQHDN-HNNXBMFYSA-N 1 2 376.545 4.129 20 0 GIADLO C[C@@H](Oc1ccccc1)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895228 820871495 /nfs/dbraw/zinc/87/14/95/820871495.db2.gz CFMUOKRZNBYUFR-DNVCBOLYSA-N 1 2 390.886 4.200 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC000410768206 823512923 /nfs/dbraw/zinc/51/29/23/823512923.db2.gz PHDBREVRIYVXKF-UHFFFAOYSA-N 1 2 389.286 4.347 20 0 GIADLO CC[C@H](C[N@@H+](C)Cc1nc([C@@H](C)OC)no1)Oc1ccc(Cl)c(Cl)c1 ZINC000190382902 823568013 /nfs/dbraw/zinc/56/80/13/823568013.db2.gz TWVZTQHSQPIEPB-VXGBXAGGSA-N 1 2 388.295 4.373 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000177724371 823516971 /nfs/dbraw/zinc/51/69/71/823516971.db2.gz QDUBTVOWXPJTFQ-JWIGPWBQSA-N 1 2 380.513 4.209 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000177724371 823516974 /nfs/dbraw/zinc/51/69/74/823516974.db2.gz QDUBTVOWXPJTFQ-JWIGPWBQSA-N 1 2 380.513 4.209 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000177724385 823517007 /nfs/dbraw/zinc/51/70/07/823517007.db2.gz QDUBTVOWXPJTFQ-RKOGDMNLSA-N 1 2 380.513 4.209 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000177724385 823517012 /nfs/dbraw/zinc/51/70/12/823517012.db2.gz QDUBTVOWXPJTFQ-RKOGDMNLSA-N 1 2 380.513 4.209 20 0 GIADLO CC(C)n1ncc2cc(C[NH+]3CCC(Nc4nccs4)CC3)c(Cl)nc21 ZINC000189951768 823517144 /nfs/dbraw/zinc/51/71/44/823517144.db2.gz KHJVFYGSQZJILF-UHFFFAOYSA-N 1 2 390.944 4.199 20 0 GIADLO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C ZINC000177735829 823518551 /nfs/dbraw/zinc/51/85/51/823518551.db2.gz JXJLADYGVVDTBN-MSOLQXFVSA-N 1 2 379.570 4.074 20 0 GIADLO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C ZINC000177735829 823518553 /nfs/dbraw/zinc/51/85/53/823518553.db2.gz JXJLADYGVVDTBN-MSOLQXFVSA-N 1 2 379.570 4.074 20 0 GIADLO O=C(N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000123550763 823520336 /nfs/dbraw/zinc/52/03/36/823520336.db2.gz BXUNRFOMVSMAFZ-DENIHFKCSA-N 1 2 391.540 4.292 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000032753100 821003134 /nfs/dbraw/zinc/00/31/34/821003134.db2.gz AHUKRVKJHUBJAL-INIZCTEOSA-N 1 2 387.483 4.487 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000032753100 821003147 /nfs/dbraw/zinc/00/31/47/821003147.db2.gz AHUKRVKJHUBJAL-INIZCTEOSA-N 1 2 387.483 4.487 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000032938870 821020747 /nfs/dbraw/zinc/02/07/47/821020747.db2.gz QQVBNBHAELRAQU-UHFFFAOYSA-N 1 2 379.463 4.433 20 0 GIADLO O=C(CCCc1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2cccs2)CC1 ZINC000033219729 821049732 /nfs/dbraw/zinc/04/97/32/821049732.db2.gz KYYHFDNCHYUPFD-UHFFFAOYSA-N 1 2 395.528 4.070 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Cc1cccs1 ZINC000060442226 823528156 /nfs/dbraw/zinc/52/81/56/823528156.db2.gz LKHKCKYMUFSKTP-UHFFFAOYSA-N 1 2 383.517 4.005 20 0 GIADLO O=C(c1ccc(Cl)cc1)C1CC[NH+](CN2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000060445185 823528627 /nfs/dbraw/zinc/52/86/27/823528627.db2.gz OSPAGLZMNVUREJ-FQEVSTJZSA-N 1 2 382.891 4.166 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000177778589 823525013 /nfs/dbraw/zinc/52/50/13/823525013.db2.gz VINJMZBUEXSOEC-UHFFFAOYSA-N 1 2 380.467 4.170 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000060467129 823531505 /nfs/dbraw/zinc/53/15/05/823531505.db2.gz NHXYUKIURUTHJI-HSZRJFAPSA-N 1 2 395.510 4.427 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000060467129 823531507 /nfs/dbraw/zinc/53/15/07/823531507.db2.gz NHXYUKIURUTHJI-HSZRJFAPSA-N 1 2 395.510 4.427 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H](C)c3cccc(Cl)c3)CC2)c1 ZINC000460872475 823533606 /nfs/dbraw/zinc/53/36/06/823533606.db2.gz ACFWIDZOTDELAX-IAGOWNOFSA-N 1 2 386.923 4.358 20 0 GIADLO O=C(NCC1(c2ccc(F)cc2)CCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000041323516 821183022 /nfs/dbraw/zinc/18/30/22/821183022.db2.gz OHFFWBBDDJMROT-UHFFFAOYSA-N 1 2 396.510 4.001 20 0 GIADLO Cc1c(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)[nH]c2c1C(=O)CCC2 ZINC000041400373 821188916 /nfs/dbraw/zinc/18/89/16/821188916.db2.gz MDKLEWOWYKASNW-GOSISDBHSA-N 1 2 399.922 4.062 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000123733616 823535907 /nfs/dbraw/zinc/53/59/07/823535907.db2.gz IOFYWUZWUCUTFZ-UHFFFAOYSA-N 1 2 395.532 4.061 20 0 GIADLO CC[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1F ZINC000123742993 823536623 /nfs/dbraw/zinc/53/66/23/823536623.db2.gz KFLAPOOBGKQTHC-HXUWFJFHSA-N 1 2 384.430 4.160 20 0 GIADLO COc1ccsc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000041572118 821211851 /nfs/dbraw/zinc/21/18/51/821211851.db2.gz PQKCXWRTIDSYDM-UHFFFAOYSA-N 1 2 385.514 4.024 20 0 GIADLO COc1ccsc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000041572118 821211859 /nfs/dbraw/zinc/21/18/59/821211859.db2.gz PQKCXWRTIDSYDM-UHFFFAOYSA-N 1 2 385.514 4.024 20 0 GIADLO C[C@H](Sc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042101298 821265400 /nfs/dbraw/zinc/26/54/00/821265400.db2.gz IJRUXCXZMBQFEC-KRWDZBQOSA-N 1 2 377.513 4.064 20 0 GIADLO COc1ccccc1NC(=O)C1CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC000042099759 821265659 /nfs/dbraw/zinc/26/56/59/821265659.db2.gz PWGMGVHDHAPZKI-UHFFFAOYSA-N 1 2 375.472 4.407 20 0 GIADLO CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H](C)Cc1ccsc1 ZINC000190122545 823540261 /nfs/dbraw/zinc/54/02/61/823540261.db2.gz GNZHKAFXANJVTN-QGZVFWFLSA-N 1 2 386.565 4.296 20 0 GIADLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@H](c2ccco2)c2ccccc2)c(C)c1 ZINC000042632309 821316204 /nfs/dbraw/zinc/31/62/04/821316204.db2.gz NQOKTVWJBYYZTF-UWJYYQICSA-N 1 2 391.471 4.312 20 0 GIADLO C[NH+](C)Cc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000042752628 821330778 /nfs/dbraw/zinc/33/07/78/821330778.db2.gz OOUHHUQDOPCREB-UHFFFAOYSA-N 1 2 399.292 4.153 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)N(c2ccccc2)C(C)C)ccc1OC(F)F ZINC000042978455 821350557 /nfs/dbraw/zinc/35/05/57/821350557.db2.gz RJIANNJFVWKOQT-UHFFFAOYSA-N 1 2 392.446 4.170 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)ccc1OC(F)F ZINC000042978455 821350563 /nfs/dbraw/zinc/35/05/63/821350563.db2.gz RJIANNJFVWKOQT-UHFFFAOYSA-N 1 2 392.446 4.170 20 0 GIADLO COc1ccc(C)cc1[C@@H](C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000043077021 821358670 /nfs/dbraw/zinc/35/86/70/821358670.db2.gz SCDMLEXSYRZBKZ-MRXNPFEDSA-N 1 2 383.517 4.070 20 0 GIADLO O=c1[nH]c(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ccsc21 ZINC000180697668 821401359 /nfs/dbraw/zinc/40/13/59/821401359.db2.gz UUGQWMVMGCXUEL-UHFFFAOYSA-N 1 2 393.434 4.383 20 0 GIADLO CCOc1cccc([C@H](C)[NH2+]Cc2nc(-c3ccc(OC)cc3OC)no2)c1 ZINC000180711687 821410810 /nfs/dbraw/zinc/41/08/10/821410810.db2.gz AIGFHFPZMAHNJY-AWEZNQCLSA-N 1 2 383.448 4.003 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(Br)cc1C(F)(F)F ZINC000180719474 821416369 /nfs/dbraw/zinc/41/63/69/821416369.db2.gz LEUHAUFNYRVTOP-UHFFFAOYSA-N 1 2 398.182 4.046 20 0 GIADLO O=C(NCc1ccc(OC(F)F)cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517375 821421397 /nfs/dbraw/zinc/42/13/97/821421397.db2.gz JGRJNOJHSCTODQ-UHFFFAOYSA-N 1 2 396.463 4.052 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccc(F)cc3)n2)C1 ZINC000043547406 821424756 /nfs/dbraw/zinc/42/47/56/821424756.db2.gz XFNNAYQTFJFAJJ-AWEZNQCLSA-N 1 2 376.501 4.178 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccc(F)cc3)n2)C1 ZINC000043547406 821424758 /nfs/dbraw/zinc/42/47/58/821424758.db2.gz XFNNAYQTFJFAJJ-AWEZNQCLSA-N 1 2 376.501 4.178 20 0 GIADLO COCc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000180749709 821433136 /nfs/dbraw/zinc/43/31/36/821433136.db2.gz ODBDYRHIMGMZDW-MJGOQNOKSA-N 1 2 394.874 4.172 20 0 GIADLO COCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000180749709 821433140 /nfs/dbraw/zinc/43/31/40/821433140.db2.gz ODBDYRHIMGMZDW-MJGOQNOKSA-N 1 2 394.874 4.172 20 0 GIADLO COc1ccc(-c2noc(C[N@H+](C)Cc3ccccc3C(F)(F)F)n2)cc1 ZINC000043643974 821435417 /nfs/dbraw/zinc/43/54/17/821435417.db2.gz FASCZSBIGHNQFZ-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3C(F)(F)F)n2)cc1 ZINC000043643974 821435421 /nfs/dbraw/zinc/43/54/21/821435421.db2.gz FASCZSBIGHNQFZ-UHFFFAOYSA-N 1 2 377.366 4.396 20 0 GIADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000180762333 821440695 /nfs/dbraw/zinc/44/06/95/821440695.db2.gz STVHNHALFOECDY-UHFFFAOYSA-N 1 2 378.303 4.011 20 0 GIADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000180762333 821440701 /nfs/dbraw/zinc/44/07/01/821440701.db2.gz STVHNHALFOECDY-UHFFFAOYSA-N 1 2 378.303 4.011 20 0 GIADLO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CC[NH+](Cc2cccs2)CC1 ZINC000043731803 821448956 /nfs/dbraw/zinc/44/89/56/821448956.db2.gz CJUVJOMSOOAVAA-UHFFFAOYSA-N 1 2 379.529 4.066 20 0 GIADLO Cc1noc([C@@H](C)Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)n1 ZINC000043835158 821468361 /nfs/dbraw/zinc/46/83/61/821468361.db2.gz RLQORARCDFQNNC-WDEREUQCSA-N 1 2 392.916 4.088 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-n2cccn2)cc1 ZINC000180846088 821491224 /nfs/dbraw/zinc/49/12/24/821491224.db2.gz RXHMQDZICQKOHE-CQSZACIVSA-N 1 2 379.851 4.427 20 0 GIADLO C[C@@H](c1nnc(SC[C@@H]2CCCCO2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000043940150 821492076 /nfs/dbraw/zinc/49/20/76/821492076.db2.gz WVSXHJKFOAQJFF-HKUYNNGSSA-N 1 2 386.565 4.475 20 0 GIADLO O=C(NCCn1cc[nH+]c1)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000043947846 821493300 /nfs/dbraw/zinc/49/33/00/821493300.db2.gz ORDMSSJBXYROSX-UHFFFAOYSA-N 1 2 390.270 4.199 20 0 GIADLO CCc1nc2ccccc2n1C1CC[NH+](Cc2nc(CCC(C)C)no2)CC1 ZINC000180968384 821561958 /nfs/dbraw/zinc/56/19/58/821561958.db2.gz LQTQQDPURFGUTJ-UHFFFAOYSA-N 1 2 381.524 4.407 20 0 GIADLO O=C(CCCC[NH2+]Cc1cccc(Br)c1O)OCc1ccccc1 ZINC000181027391 821600523 /nfs/dbraw/zinc/60/05/23/821600523.db2.gz OWSQOFIENARRLF-UHFFFAOYSA-N 1 2 392.293 4.158 20 0 GIADLO CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000181037994 821605646 /nfs/dbraw/zinc/60/56/46/821605646.db2.gz RUVNUUHZBGNEBI-OAQYLSRUSA-N 1 2 386.455 4.176 20 0 GIADLO COCCN(C(C)=O)c1nc(C[NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)cs1 ZINC000181063584 821614994 /nfs/dbraw/zinc/61/49/94/821614994.db2.gz OYZJSDDGOXWYFM-SFHVURJKSA-N 1 2 393.528 4.159 20 0 GIADLO Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc([NH+]2CCC(O)CC2)cc1)CC3 ZINC000181079447 821622014 /nfs/dbraw/zinc/62/20/14/821622014.db2.gz SIQQCCMQIWFLQR-SFHVURJKSA-N 1 2 375.516 4.407 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2c(C)noc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181100672 821632992 /nfs/dbraw/zinc/63/29/92/821632992.db2.gz HJOGNNOSLORLMN-AHYKXKOGSA-N 1 2 393.890 4.139 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2c(C)noc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181100672 821632994 /nfs/dbraw/zinc/63/29/94/821632994.db2.gz HJOGNNOSLORLMN-AHYKXKOGSA-N 1 2 393.890 4.139 20 0 GIADLO CCO[C@H](C)c1noc(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)n1 ZINC000181136542 821655800 /nfs/dbraw/zinc/65/58/00/821655800.db2.gz FHYHSNYPFUZPIJ-QRWLVFNGSA-N 1 2 399.466 4.388 20 0 GIADLO CCCc1noc(C[NH2+][C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)n1 ZINC000181140143 821659050 /nfs/dbraw/zinc/65/90/50/821659050.db2.gz UTHHIDYXMAEQMC-IBGZPJMESA-N 1 2 395.503 4.421 20 0 GIADLO O=C(Nc1ccccc1COC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000181174643 821679180 /nfs/dbraw/zinc/67/91/80/821679180.db2.gz VOMXDCJEUXCRPD-UHFFFAOYSA-N 1 2 387.395 4.075 20 0 GIADLO Cc1ccc(C[C@H](C)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000181273856 821727582 /nfs/dbraw/zinc/72/75/82/821727582.db2.gz QQXLAUNMJOGFRI-IBGZPJMESA-N 1 2 379.548 4.025 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)c1ccc2c(c1)CCO2 ZINC000181276178 821728971 /nfs/dbraw/zinc/72/89/71/821728971.db2.gz NYWQGFIGIAVECV-LBPRGKRZSA-N 1 2 399.292 4.020 20 0 GIADLO FC(F)(F)c1csc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181302336 821744395 /nfs/dbraw/zinc/74/43/95/821744395.db2.gz JKDDXIIZEWAWBF-CYBMUJFWSA-N 1 2 393.438 4.327 20 0 GIADLO FC(F)(F)c1csc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181302336 821744402 /nfs/dbraw/zinc/74/44/02/821744402.db2.gz JKDDXIIZEWAWBF-CYBMUJFWSA-N 1 2 393.438 4.327 20 0 GIADLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1cccc(N2CCOC2=O)c1 ZINC000181308892 821747829 /nfs/dbraw/zinc/74/78/29/821747829.db2.gz FPLIUXDHEVLOMP-AWEZNQCLSA-N 1 2 381.407 4.288 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cccc(N2CCCC2=O)c1 ZINC000181312374 821750461 /nfs/dbraw/zinc/75/04/61/821750461.db2.gz LQLIHYOZNVDKIG-OAHLLOKOSA-N 1 2 378.501 4.183 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1nc(-c2cccs2)no1 ZINC000181322470 821758274 /nfs/dbraw/zinc/75/82/74/821758274.db2.gz NVSHSBFIQKAFOV-STQMWFEESA-N 1 2 384.461 4.167 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1nc(Cc2ccccc2)no1 ZINC000181334806 821766514 /nfs/dbraw/zinc/76/65/14/821766514.db2.gz NQKWRPBNPXYHNU-HZPDHXFCSA-N 1 2 392.459 4.029 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000181362060 821787938 /nfs/dbraw/zinc/78/79/38/821787938.db2.gz WUODHXANKDEDBB-QGZVFWFLSA-N 1 2 388.899 4.140 20 0 GIADLO COc1ccc(-c2cnc(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)o2)cc1 ZINC000181402278 821807900 /nfs/dbraw/zinc/80/79/00/821807900.db2.gz QSEOPFZMGFICDG-MRXNPFEDSA-N 1 2 391.471 4.328 20 0 GIADLO Cc1oc2nc(C[NH2+][C@@H](C)c3ccc(OCC4CC4)c(F)c3)nc(N)c2c1C ZINC000181570369 821884021 /nfs/dbraw/zinc/88/40/21/821884021.db2.gz GKNNKXUXXQWECX-LBPRGKRZSA-N 1 2 384.455 4.201 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc(C(F)(F)F)c1 ZINC000181613843 821904390 /nfs/dbraw/zinc/90/43/90/821904390.db2.gz XAQVOPSBUSVGJJ-LLVKDONJSA-N 1 2 391.349 4.335 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc(C(F)(F)F)c1 ZINC000181613821 821904446 /nfs/dbraw/zinc/90/44/46/821904446.db2.gz XAQVOPSBUSVGJJ-NSHDSACASA-N 1 2 391.349 4.335 20 0 GIADLO Cc1csc([C@H]([NH2+]Cc2cc3c(cc2Br)OCCO3)C2CC2)n1 ZINC000181621879 821907827 /nfs/dbraw/zinc/90/78/27/821907827.db2.gz GZQDNRIJJDLGQD-MRXNPFEDSA-N 1 2 395.322 4.226 20 0 GIADLO Cn1c(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)nnc1C1CCC1 ZINC000181713085 821956542 /nfs/dbraw/zinc/95/65/42/821956542.db2.gz UKZRHAYWDQTKRP-LJQANCHMSA-N 1 2 380.467 4.132 20 0 GIADLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC000181823711 822007235 /nfs/dbraw/zinc/00/72/35/822007235.db2.gz ZYLMENQUCSTNRP-LJQANCHMSA-N 1 2 381.501 4.378 20 0 GIADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] ZINC000181824893 822007684 /nfs/dbraw/zinc/00/76/84/822007684.db2.gz RBNQUURHGLLXSY-OLZOCXBDSA-N 1 2 397.391 4.273 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(F)c(Cl)c1F ZINC000181906902 822033386 /nfs/dbraw/zinc/03/33/86/822033386.db2.gz UMYBFCRONTWCCE-UHFFFAOYSA-N 1 2 377.778 4.146 20 0 GIADLO CO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000182014094 822062753 /nfs/dbraw/zinc/06/27/53/822062753.db2.gz RCCAMKUPXMGDOX-HUUCEWRRSA-N 1 2 385.439 4.346 20 0 GIADLO CSCCCCCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000182202211 822144752 /nfs/dbraw/zinc/14/47/52/822144752.db2.gz CTABZOQJCFEMMM-PMACEKPBSA-N 1 2 386.565 4.334 20 0 GIADLO C[C@@H]([NH2+]Cc1csc(COc2ccc(F)cc2)n1)c1ccc2c(c1)OCO2 ZINC000182277030 822183326 /nfs/dbraw/zinc/18/33/26/822183326.db2.gz XFMGRPFTEZKOKO-CYBMUJFWSA-N 1 2 386.448 4.441 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1)Nc1ccccc1C(F)(F)F ZINC000177959393 822257923 /nfs/dbraw/zinc/25/79/23/822257923.db2.gz VQEUIVJEVFIYQX-GOSISDBHSA-N 1 2 396.384 4.247 20 0 GIADLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1)Nc1ccccc1C(F)(F)F ZINC000177959393 822257933 /nfs/dbraw/zinc/25/79/33/822257933.db2.gz VQEUIVJEVFIYQX-GOSISDBHSA-N 1 2 396.384 4.247 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182561120 822302896 /nfs/dbraw/zinc/30/28/96/822302896.db2.gz OPHBAOLROXREHD-HNNXBMFYSA-N 1 2 388.427 4.433 20 0 GIADLO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000182563383 822303976 /nfs/dbraw/zinc/30/39/76/822303976.db2.gz ZSUIUMPHVRKMCH-FQEVSTJZSA-N 1 2 392.507 4.039 20 0 GIADLO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182568028 822306571 /nfs/dbraw/zinc/30/65/71/822306571.db2.gz FXLPOANNLAFBKL-INIZCTEOSA-N 1 2 377.492 4.100 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccn(C2CCCC2)n1 ZINC000178071431 822308633 /nfs/dbraw/zinc/30/86/33/822308633.db2.gz HYRNLRFIXUFNJI-UHFFFAOYSA-N 1 2 375.476 4.450 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc(-c2ncco2)cc1 ZINC000182589151 822314107 /nfs/dbraw/zinc/31/41/07/822314107.db2.gz WWYHTDPLSUKCIA-UHFFFAOYSA-N 1 2 377.448 4.049 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH+]2CCC(N(C)c3ccccc3)CC2)o1 ZINC000178090968 822315862 /nfs/dbraw/zinc/31/58/62/822315862.db2.gz KXRZGQUYIXSVHG-UHFFFAOYSA-N 1 2 376.504 4.070 20 0 GIADLO Cc1nc(CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)sc1C ZINC000178108030 822322466 /nfs/dbraw/zinc/32/24/66/822322466.db2.gz LBAXDAFOMSNIMA-GFCCVEGCSA-N 1 2 391.541 4.395 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)nnn1-c1ccc(F)cc1 ZINC000178122697 822326086 /nfs/dbraw/zinc/32/60/86/822326086.db2.gz IHVKBOKWKOXRCA-LVWPNOBMSA-N 1 2 380.467 4.286 20 0 GIADLO C[C@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000182628430 822329286 /nfs/dbraw/zinc/32/92/86/822329286.db2.gz ZHWCZEDOGJBNKN-LBPRGKRZSA-N 1 2 387.365 4.278 20 0 GIADLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000182714749 822357195 /nfs/dbraw/zinc/35/71/95/822357195.db2.gz AGCPIJYJDJILQE-CYBMUJFWSA-N 1 2 378.394 4.099 20 0 GIADLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000182714749 822357197 /nfs/dbraw/zinc/35/71/97/822357197.db2.gz AGCPIJYJDJILQE-CYBMUJFWSA-N 1 2 378.394 4.099 20 0 GIADLO Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCCn3cc[nH+]c3)cc12 ZINC000045052549 822359803 /nfs/dbraw/zinc/35/98/03/822359803.db2.gz INLQTTRDSKXGEA-UHFFFAOYSA-N 1 2 399.907 4.065 20 0 GIADLO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000182759066 822363495 /nfs/dbraw/zinc/36/34/95/822363495.db2.gz IJKZQTGPSAZROT-UHFFFAOYSA-N 1 2 399.466 4.489 20 0 GIADLO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000182759066 822363497 /nfs/dbraw/zinc/36/34/97/822363497.db2.gz IJKZQTGPSAZROT-UHFFFAOYSA-N 1 2 399.466 4.489 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H](c1ccco1)c1ccccc1 ZINC000045154921 822367039 /nfs/dbraw/zinc/36/70/39/822367039.db2.gz NRTQSZAWOGXQCY-JOCHJYFZSA-N 1 2 386.455 4.113 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000178360204 822371124 /nfs/dbraw/zinc/37/11/24/822371124.db2.gz QYZYZMCASTVZSK-OAQYLSRUSA-N 1 2 393.393 4.049 20 0 GIADLO CC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@@H](C)c1cccc(O)c1 ZINC000178372301 822372313 /nfs/dbraw/zinc/37/23/13/822372313.db2.gz MXEQADJUYZGACA-AWEZNQCLSA-N 1 2 383.448 4.043 20 0 GIADLO CC[N@@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@@H](C)c1cccc(O)c1 ZINC000178372301 822372318 /nfs/dbraw/zinc/37/23/18/822372318.db2.gz MXEQADJUYZGACA-AWEZNQCLSA-N 1 2 383.448 4.043 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Cc2ccccc2C)cc1 ZINC000045294263 822376908 /nfs/dbraw/zinc/37/69/08/822376908.db2.gz KSQOCXFMDGOFPI-UHFFFAOYSA-N 1 2 391.515 4.252 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CCc3ccccc32)C[C@@H](C)O1 ZINC000045305735 822377913 /nfs/dbraw/zinc/37/79/13/822377913.db2.gz XZFJLNKRAGEQEQ-DRSNIGMVSA-N 1 2 379.504 4.105 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3ncc(-c4cccs4)o3)C2)n1 ZINC000182851081 822378990 /nfs/dbraw/zinc/37/89/90/822378990.db2.gz IJDDXPWACMXEIW-GFCCVEGCSA-N 1 2 382.411 4.456 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3ncc(-c4cccs4)o3)C2)n1 ZINC000182851081 822378992 /nfs/dbraw/zinc/37/89/92/822378992.db2.gz IJDDXPWACMXEIW-GFCCVEGCSA-N 1 2 382.411 4.456 20 0 GIADLO COc1cc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)ccc1SC(F)F ZINC000182871326 822383366 /nfs/dbraw/zinc/38/33/66/822383366.db2.gz OGEAUIIKODTEPH-ZDUSSCGKSA-N 1 2 395.475 4.415 20 0 GIADLO Cc1cc(Br)c(CNc2ccc[nH+]c2N2CCC(CO)CC2)s1 ZINC000453570450 822385853 /nfs/dbraw/zinc/38/58/53/822385853.db2.gz KQMDSRVTOPZJDD-UHFFFAOYSA-N 1 2 396.354 4.035 20 0 GIADLO Cc1ccc([C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2Cl)cc1 ZINC000182905768 822389881 /nfs/dbraw/zinc/38/98/81/822389881.db2.gz AMRIFGKQKJBEOI-APWZRJJASA-N 1 2 381.900 4.044 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000045491204 822390475 /nfs/dbraw/zinc/39/04/75/822390475.db2.gz WQFDFBSFUIZKTG-IBGZPJMESA-N 1 2 384.911 4.382 20 0 GIADLO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045491046 822390485 /nfs/dbraw/zinc/39/04/85/822390485.db2.gz KVFOBAZOEQOMCT-OAHLLOKOSA-N 1 2 395.532 4.194 20 0 GIADLO COCCOc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)c1 ZINC000453611595 822392893 /nfs/dbraw/zinc/39/28/93/822392893.db2.gz KXAZUSUUEFHNDK-IBGZPJMESA-N 1 2 391.309 4.206 20 0 GIADLO COCCOc1cccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)c1 ZINC000453611595 822392897 /nfs/dbraw/zinc/39/28/97/822392897.db2.gz KXAZUSUUEFHNDK-IBGZPJMESA-N 1 2 391.309 4.206 20 0 GIADLO CCC(C)(C)OCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000453618563 822394144 /nfs/dbraw/zinc/39/41/44/822394144.db2.gz SMIYYEAMBIRCDW-UHFFFAOYSA-N 1 2 375.538 4.431 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc4oc(C)nc4c3)CC2)c1 ZINC000178635448 822398185 /nfs/dbraw/zinc/39/81/85/822398185.db2.gz MFIHQGTXUVZBBP-OAHLLOKOSA-N 1 2 394.475 4.056 20 0 GIADLO CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045634815 822401701 /nfs/dbraw/zinc/40/17/01/822401701.db2.gz RWIABYNVVDEEGT-UHFFFAOYSA-N 1 2 378.929 4.128 20 0 GIADLO CCOc1ccc([C@H]2CCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000045640861 822402225 /nfs/dbraw/zinc/40/22/25/822402225.db2.gz VFXXZCYGPRLRAM-JOCHJYFZSA-N 1 2 375.472 4.307 20 0 GIADLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1OC1CCCC1 ZINC000045676311 822404588 /nfs/dbraw/zinc/40/45/88/822404588.db2.gz WTLYSDGHRHAHGL-UHFFFAOYSA-N 1 2 377.444 4.455 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](Cc4cccc(F)c4)CC3)o2)cc1 ZINC000178775530 822408932 /nfs/dbraw/zinc/40/89/32/822408932.db2.gz NERBPCSMEQKHCK-KRWDZBQOSA-N 1 2 380.467 4.063 20 0 GIADLO CCCCOc1ccc(OC)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045738744 822409952 /nfs/dbraw/zinc/40/99/52/822409952.db2.gz YKPVCWPVNAXFPE-UHFFFAOYSA-N 1 2 379.460 4.371 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc([S@](C)=O)cc2)c(Cl)c1 ZINC000178798868 822411266 /nfs/dbraw/zinc/41/12/66/822411266.db2.gz RKWHYHFXABUTPF-WZQKQDCOSA-N 1 2 392.952 4.153 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c(Cl)c1 ZINC000178798868 822411268 /nfs/dbraw/zinc/41/12/68/822411268.db2.gz RKWHYHFXABUTPF-WZQKQDCOSA-N 1 2 392.952 4.153 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178800884 822411486 /nfs/dbraw/zinc/41/14/86/822411486.db2.gz SQARNGPSTDUYHZ-CRYYWNKWSA-N 1 2 386.561 4.315 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178800884 822411488 /nfs/dbraw/zinc/41/14/88/822411488.db2.gz SQARNGPSTDUYHZ-CRYYWNKWSA-N 1 2 386.561 4.315 20 0 GIADLO CC(=O)N1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000178881886 822418805 /nfs/dbraw/zinc/41/88/05/822418805.db2.gz ORAHXBDAPMSTMC-LBPRGKRZSA-N 1 2 382.291 4.264 20 0 GIADLO CC(=O)N1CCC[N@H+]([C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000178881886 822418807 /nfs/dbraw/zinc/41/88/07/822418807.db2.gz ORAHXBDAPMSTMC-LBPRGKRZSA-N 1 2 382.291 4.264 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@H](C[S@](C)=O)c3ccccc3)cs2)cc1 ZINC000183068550 822419989 /nfs/dbraw/zinc/41/99/89/822419989.db2.gz GSQDIPIVIHHFEF-BCHFMIIMSA-N 1 2 386.542 4.028 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCCc3ccccc3)n2)C1 ZINC000045976760 822428549 /nfs/dbraw/zinc/42/85/49/822428549.db2.gz IGAIKHGMXYPECI-QGZVFWFLSA-N 1 2 386.565 4.472 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCCc3ccccc3)n2)C1 ZINC000045976760 822428551 /nfs/dbraw/zinc/42/85/51/822428551.db2.gz IGAIKHGMXYPECI-QGZVFWFLSA-N 1 2 386.565 4.472 20 0 GIADLO CCc1ccc(CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C2CC2)cc1 ZINC000046019166 822435392 /nfs/dbraw/zinc/43/53/92/822435392.db2.gz VYUXQXLSLZCLHI-UHFFFAOYSA-N 1 2 388.515 4.368 20 0 GIADLO CCn1c2cccc(F)c2nc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183176957 822436088 /nfs/dbraw/zinc/43/60/88/822436088.db2.gz ODNMUAHYSSLLKM-UHFFFAOYSA-N 1 2 395.404 4.248 20 0 GIADLO CC(C)Oc1cccc(CN(C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000179124816 822441059 /nfs/dbraw/zinc/44/10/59/822441059.db2.gz FJKVUJBWRKONQT-UHFFFAOYSA-N 1 2 378.476 4.001 20 0 GIADLO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105813 822441529 /nfs/dbraw/zinc/44/15/29/822441529.db2.gz BOPQQKFONJBKJI-UHFFFAOYSA-N 1 2 382.489 4.479 20 0 GIADLO COc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C(F)(F)F)c1 ZINC000046151597 822444782 /nfs/dbraw/zinc/44/47/82/822444782.db2.gz URAJQTKAYZPVSD-UHFFFAOYSA-N 1 2 375.350 4.211 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000179174844 822447237 /nfs/dbraw/zinc/44/72/37/822447237.db2.gz PVWOSMVNWPAZQH-FOIQADDNSA-N 1 2 380.879 4.322 20 0 GIADLO O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000183258914 822449555 /nfs/dbraw/zinc/44/95/55/822449555.db2.gz SQJZTEXBYPHYDK-UHFFFAOYSA-N 1 2 381.395 4.328 20 0 GIADLO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)C(C)C ZINC000183260641 822449730 /nfs/dbraw/zinc/44/97/30/822449730.db2.gz CTXPWJKWHXQVIZ-GOSISDBHSA-N 1 2 392.546 4.229 20 0 GIADLO C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ncc(Br)s1 ZINC000179204213 822450519 /nfs/dbraw/zinc/45/05/19/822450519.db2.gz QLTYZCHUHYNMPK-MRVPVSSYSA-N 1 2 396.232 4.093 20 0 GIADLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ncc(Br)s2)c1 ZINC000179206348 822451039 /nfs/dbraw/zinc/45/10/39/822451039.db2.gz YMENUWFXRBGPPG-VXGBXAGGSA-N 1 2 396.354 4.285 20 0 GIADLO Cc1ccc([C@@H](CN[C@H](C)c2ncc(Br)s2)[NH+]2CCCC2)o1 ZINC000179221744 822453358 /nfs/dbraw/zinc/45/33/58/822453358.db2.gz KCHGTQWTIHVJBC-CHWSQXEVSA-N 1 2 384.343 4.295 20 0 GIADLO C[C@@H](c1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1)C(F)(F)F ZINC000454305152 822455072 /nfs/dbraw/zinc/45/50/72/822455072.db2.gz ALWNSXWZJFTCEU-AWEZNQCLSA-N 1 2 382.451 4.372 20 0 GIADLO CCc1cc(=O)c2cc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)ccc2[nH]1 ZINC000183303580 822455870 /nfs/dbraw/zinc/45/58/70/822455870.db2.gz ICGVREWCIGCWAE-JOCHJYFZSA-N 1 2 389.499 4.084 20 0 GIADLO CCc1cc(=O)c2cc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)ccc2[nH]1 ZINC000183303580 822455873 /nfs/dbraw/zinc/45/58/73/822455873.db2.gz ICGVREWCIGCWAE-JOCHJYFZSA-N 1 2 389.499 4.084 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000454311913 822456503 /nfs/dbraw/zinc/45/65/03/822456503.db2.gz HDHZDAYELUXVQG-OAQYLSRUSA-N 1 2 396.441 4.256 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cnn1C ZINC000183339393 822460892 /nfs/dbraw/zinc/46/08/92/822460892.db2.gz MMLORTRTQWOLDF-JTSKRJEESA-N 1 2 376.504 4.376 20 0 GIADLO Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046341220 822463071 /nfs/dbraw/zinc/46/30/71/822463071.db2.gz WXOQHVMOLRYTQQ-CEXWTWQISA-N 1 2 382.504 4.010 20 0 GIADLO Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046341220 822463075 /nfs/dbraw/zinc/46/30/75/822463075.db2.gz WXOQHVMOLRYTQQ-CEXWTWQISA-N 1 2 382.504 4.010 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1csc([C@@H]2CCCO2)n1 ZINC000179302861 822463065 /nfs/dbraw/zinc/46/30/65/822463065.db2.gz MDCTZCFFGLQILX-SFHVURJKSA-N 1 2 394.500 4.447 20 0 GIADLO Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046341218 822463126 /nfs/dbraw/zinc/46/31/26/822463126.db2.gz WXOQHVMOLRYTQQ-OTWHNJEPSA-N 1 2 382.504 4.010 20 0 GIADLO Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046341218 822463128 /nfs/dbraw/zinc/46/31/28/822463128.db2.gz WXOQHVMOLRYTQQ-OTWHNJEPSA-N 1 2 382.504 4.010 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc3c(s2)CCCC3)C[C@H](C)O1 ZINC000046341492 822463286 /nfs/dbraw/zinc/46/32/86/822463286.db2.gz YMEMQDURLWXRRU-HOTGVXAUSA-N 1 2 384.545 4.488 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cnn1C ZINC000183358038 822463358 /nfs/dbraw/zinc/46/33/58/822463358.db2.gz NPOGRZNTQPHYMV-GHMZBOCLSA-N 1 2 379.386 4.209 20 0 GIADLO COc1cc([C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)ccc1S(C)(=O)=O ZINC000183365830 822464342 /nfs/dbraw/zinc/46/43/42/822464342.db2.gz NIONERWRVQUAJW-QGZVFWFLSA-N 1 2 387.545 4.114 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c[nH+]1 ZINC000454379710 822465647 /nfs/dbraw/zinc/46/56/47/822465647.db2.gz NZMBPWOCWZQMMZ-CQSZACIVSA-N 1 2 381.398 4.200 20 0 GIADLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000179320187 822465740 /nfs/dbraw/zinc/46/57/40/822465740.db2.gz KWQJIBCMVIANLG-WZONZLPQSA-N 1 2 388.515 4.097 20 0 GIADLO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1 ZINC000183405027 822468910 /nfs/dbraw/zinc/46/89/10/822468910.db2.gz CIZUKYHMOAXBMB-JOCHJYFZSA-N 1 2 398.528 4.188 20 0 GIADLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1 ZINC000183429768 822473820 /nfs/dbraw/zinc/47/38/20/822473820.db2.gz WAXKEGAFJQWKPA-QFIPXVFZSA-N 1 2 398.528 4.189 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000046468749 822475980 /nfs/dbraw/zinc/47/59/80/822475980.db2.gz NBDVXPOAHFCLEQ-HXUWFJFHSA-N 1 2 393.491 4.094 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cs1)c1cccc(C)c1C ZINC000179391766 822476128 /nfs/dbraw/zinc/47/61/28/822476128.db2.gz PTIPHMQEPJZURB-HTZLVSCSSA-N 1 2 399.560 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)cs1)c1cccc(C)c1C ZINC000179391766 822476132 /nfs/dbraw/zinc/47/61/32/822476132.db2.gz PTIPHMQEPJZURB-HTZLVSCSSA-N 1 2 399.560 4.037 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1(c2ccc(F)cc2F)CCCC1 ZINC000179410308 822478818 /nfs/dbraw/zinc/47/88/18/822478818.db2.gz IFDJKACKJOAUTD-UHFFFAOYSA-N 1 2 395.453 4.338 20 0 GIADLO CCOC(=O)C[N@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C(C)C ZINC000179424179 822480331 /nfs/dbraw/zinc/48/03/31/822480331.db2.gz SOTWXMQPSNILFM-UHFFFAOYSA-N 1 2 388.895 4.366 20 0 GIADLO CCOC(=O)C[N@@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C(C)C ZINC000179424179 822480332 /nfs/dbraw/zinc/48/03/32/822480332.db2.gz SOTWXMQPSNILFM-UHFFFAOYSA-N 1 2 388.895 4.366 20 0 GIADLO COc1cccc(CNC(=O)NCc2c[nH+]c(C)cc2C)c1OC1CCCC1 ZINC000454488762 822483507 /nfs/dbraw/zinc/48/35/07/822483507.db2.gz FIVNMCWKPYZNOQ-UHFFFAOYSA-N 1 2 383.492 4.028 20 0 GIADLO CCc1nc([C@@H](C)NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cs1 ZINC000454496528 822484897 /nfs/dbraw/zinc/48/48/97/822484897.db2.gz ZCKIEYAMLUELBY-GFCCVEGCSA-N 1 2 389.912 4.105 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2csc(Cc3cccc(F)c3)n2)c1C ZINC000183512014 822488194 /nfs/dbraw/zinc/48/81/94/822488194.db2.gz INVSUTIDVRFLCM-UHFFFAOYSA-N 1 2 399.491 4.166 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@@H]2CCCCC2(F)F)C[C@@H](C)O1 ZINC000454514509 822488368 /nfs/dbraw/zinc/48/83/68/822488368.db2.gz RNKWLALCWCUSHB-NUJGCVRESA-N 1 2 395.494 4.243 20 0 GIADLO CC(C)[C@H]1CN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H]1C(C)C ZINC000454521404 822490596 /nfs/dbraw/zinc/49/05/96/822490596.db2.gz YMXMEGSJHCXHTB-MXKPZRPRSA-N 1 2 387.568 4.440 20 0 GIADLO CC(C)[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H]1C(C)C ZINC000454521404 822490598 /nfs/dbraw/zinc/49/05/98/822490598.db2.gz YMXMEGSJHCXHTB-MXKPZRPRSA-N 1 2 387.568 4.440 20 0 GIADLO O=C(CSc1ccc2ccccc2c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617016 822493386 /nfs/dbraw/zinc/49/33/86/822493386.db2.gz XDEAAEKGBWLIGC-UHFFFAOYSA-N 1 2 377.513 4.112 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2ccccc2Cl)o1 ZINC000046617328 822493604 /nfs/dbraw/zinc/49/36/04/822493604.db2.gz KDVDZBKKKPSDPN-UHFFFAOYSA-N 1 2 381.863 4.394 20 0 GIADLO COc1ccc(Cl)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000179542956 822500260 /nfs/dbraw/zinc/50/02/60/822500260.db2.gz OWQDINJKVXJOAW-AEFFLSMTSA-N 1 2 395.837 4.194 20 0 GIADLO COc1ccc(Cl)c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000179542956 822500263 /nfs/dbraw/zinc/50/02/63/822500263.db2.gz OWQDINJKVXJOAW-AEFFLSMTSA-N 1 2 395.837 4.194 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000179545248 822500667 /nfs/dbraw/zinc/50/06/67/822500667.db2.gz WWWYWCNPTPLEDT-SJORKVTESA-N 1 2 383.801 4.324 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000179545248 822500669 /nfs/dbraw/zinc/50/06/69/822500669.db2.gz WWWYWCNPTPLEDT-SJORKVTESA-N 1 2 383.801 4.324 20 0 GIADLO O=C1CCCN1C[C@@H]([NH2+]Cc1csc(Cc2ccccc2)n1)c1ccccc1 ZINC000179550784 822501792 /nfs/dbraw/zinc/50/17/92/822501792.db2.gz ZFGMXLWLAHLZEJ-OAQYLSRUSA-N 1 2 391.540 4.187 20 0 GIADLO CCOc1ccc(-c2nc(C[NH2+][C@@H](CO)c3ccccc3)cs2)cc1OC ZINC000183635475 822504579 /nfs/dbraw/zinc/50/45/79/822504579.db2.gz RABXUVDWNZMCQO-SFHVURJKSA-N 1 2 384.501 4.041 20 0 GIADLO O=C1CCCN1C[C@@H]([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000179568094 822504955 /nfs/dbraw/zinc/50/49/55/822504955.db2.gz NVMLMMNYFQKWFW-HXUWFJFHSA-N 1 2 395.890 4.448 20 0 GIADLO COc1cc(C[NH2+]C2(c3ccccc3F)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000179660669 822522169 /nfs/dbraw/zinc/52/21/69/822522169.db2.gz OWFOBQNLFVXOAU-UHFFFAOYSA-N 1 2 382.338 4.123 20 0 GIADLO C[C@@H](c1cccc(NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)c1)[NH+]1CCOCC1 ZINC000454736755 822525310 /nfs/dbraw/zinc/52/53/10/822525310.db2.gz JPUFSGONCUAGFC-LAUBAEHRSA-N 1 2 395.503 4.432 20 0 GIADLO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(Cl)c3O)CC2)cc1F ZINC000179686375 822527201 /nfs/dbraw/zinc/52/72/01/822527201.db2.gz SCGZHYWMWOZFPJ-UHFFFAOYSA-N 1 2 390.886 4.022 20 0 GIADLO CSCC1CCC(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000454749888 822527945 /nfs/dbraw/zinc/52/79/45/822527945.db2.gz DTNREXOSHKSIIB-UHFFFAOYSA-N 1 2 388.537 4.005 20 0 GIADLO C[C@H](c1cccc(NC(=O)Nc2ccccc2OCCF)c1)[NH+]1CCOCC1 ZINC000454750182 822527963 /nfs/dbraw/zinc/52/79/63/822527963.db2.gz VMNACTPPIDLKIG-MRXNPFEDSA-N 1 2 387.455 4.072 20 0 GIADLO Cc1cc([C@H](C)[NH2+]Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)c(C)o1 ZINC000183840017 822534439 /nfs/dbraw/zinc/53/44/39/822534439.db2.gz PELHZWCMHPTSOZ-JTQLQIEISA-N 1 2 399.804 4.395 20 0 GIADLO CC[C@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccccc1OCC(=O)N(C)C ZINC000179729240 822536614 /nfs/dbraw/zinc/53/66/14/822536614.db2.gz IOFWQYVUQCIOLW-IBGZPJMESA-N 1 2 393.487 4.050 20 0 GIADLO OCCC[C@H]([NH2+]Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 ZINC000179729814 822536895 /nfs/dbraw/zinc/53/68/95/822536895.db2.gz RHDCQGYHCITOJZ-KRWDZBQOSA-N 1 2 391.393 4.359 20 0 GIADLO OCCC[C@H]([NH2+]Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccccc1 ZINC000179734844 822538413 /nfs/dbraw/zinc/53/84/13/822538413.db2.gz VIRAZJFQCHIJKX-KRWDZBQOSA-N 1 2 391.393 4.359 20 0 GIADLO OC[C@H]([NH2+]Cc1csc(C2CCCC2)n1)c1cccc(Br)c1 ZINC000183887672 822540951 /nfs/dbraw/zinc/54/09/51/822540951.db2.gz AJHZIQYBXASIEO-INIZCTEOSA-N 1 2 381.339 4.386 20 0 GIADLO Cc1cc(-c2noc(C[NH2+][C@H](C)c3ccc(NC(=O)C4CC4)cc3)n2)ccc1F ZINC000179759529 822544803 /nfs/dbraw/zinc/54/48/03/822544803.db2.gz CSCZQJXKEAXSPU-CQSZACIVSA-N 1 2 394.450 4.383 20 0 GIADLO Cc1cccc(-c2noc(C[NH2+][C@H](C)c3ccc(NC(=O)C4CC4)cc3)n2)c1 ZINC000179780292 822551545 /nfs/dbraw/zinc/55/15/45/822551545.db2.gz MLVJEAXBCSBZOY-OAHLLOKOSA-N 1 2 376.460 4.244 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179781428 822551726 /nfs/dbraw/zinc/55/17/26/822551726.db2.gz WPCBJGAEDGCNPB-MRXNPFEDSA-N 1 2 390.487 4.054 20 0 GIADLO CC[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1cc(F)ccc1F ZINC000179804494 822556243 /nfs/dbraw/zinc/55/62/43/822556243.db2.gz VRESHPRYSYPGOG-GOSISDBHSA-N 1 2 387.455 4.428 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(-c3ccccc3)nn2)CC1 ZINC000183976046 822556762 /nfs/dbraw/zinc/55/67/62/822556762.db2.gz LEGUCHHHSLEFBY-INIZCTEOSA-N 1 2 393.516 4.116 20 0 GIADLO CCOc1ccc2nc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)sc2c1 ZINC000047240028 822557453 /nfs/dbraw/zinc/55/74/53/822557453.db2.gz KEQULLMSDLZCLT-UHFFFAOYSA-N 1 2 378.457 4.192 20 0 GIADLO COc1ccc(-c2csc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000047241967 822557880 /nfs/dbraw/zinc/55/78/80/822557880.db2.gz ZUXRVYYAHLLBDQ-UHFFFAOYSA-N 1 2 390.468 4.316 20 0 GIADLO O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000183990229 822559117 /nfs/dbraw/zinc/55/91/17/822559117.db2.gz ONZBRWHXTXRYAU-UHFFFAOYSA-N 1 2 386.459 4.091 20 0 GIADLO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000179829972 822561595 /nfs/dbraw/zinc/56/15/95/822561595.db2.gz YFLXPRYMEYTBHL-UHFFFAOYSA-N 1 2 381.373 4.029 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@H](C)c2ccc(Br)cc2F)c[nH+]1 ZINC000454962777 822563665 /nfs/dbraw/zinc/56/36/65/822563665.db2.gz OPSRCGFSUSEUOL-GFCCVEGCSA-N 1 2 380.261 4.160 20 0 GIADLO Cc1c(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cnn1CC(C)C ZINC000455032633 822575702 /nfs/dbraw/zinc/57/57/02/822575702.db2.gz BYBUTBMWIDEIKK-UHFFFAOYSA-N 1 2 386.887 4.008 20 0 GIADLO CC(C)COC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000184144791 822585284 /nfs/dbraw/zinc/58/52/84/822585284.db2.gz ZQMJKNYKQSEXFE-MAUKXSAKSA-N 1 2 378.900 4.114 20 0 GIADLO Cc1nc(COc2cccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)c2)cs1 ZINC000047514526 822585686 /nfs/dbraw/zinc/58/56/86/822585686.db2.gz IHHVIYZGJOAGQM-UHFFFAOYSA-N 1 2 390.468 4.469 20 0 GIADLO O=C(Nc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1)c1cccs1 ZINC000047514757 822585722 /nfs/dbraw/zinc/58/57/22/822585722.db2.gz MIBBYPYMGMHSPH-UHFFFAOYSA-N 1 2 388.452 4.438 20 0 GIADLO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047533668 822588103 /nfs/dbraw/zinc/58/81/03/822588103.db2.gz IUXXMCHSDJJVDQ-UHFFFAOYSA-N 1 2 377.835 4.272 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)Cc2cccc(F)c2)C[C@H](C)O1 ZINC000047569417 822591607 /nfs/dbraw/zinc/59/16/07/822591607.db2.gz VQZMIBKCTDCEJM-CALCHBBNSA-N 1 2 385.483 4.099 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)Cc2cccc(F)c2)C[C@H](C)O1 ZINC000047569417 822591609 /nfs/dbraw/zinc/59/16/09/822591609.db2.gz VQZMIBKCTDCEJM-CALCHBBNSA-N 1 2 385.483 4.099 20 0 GIADLO Cc1ccc(CN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)o1 ZINC000047569970 822592087 /nfs/dbraw/zinc/59/20/87/822592087.db2.gz GUFAZSTXNGLAQL-HDICACEKSA-N 1 2 397.519 4.394 20 0 GIADLO Cc1ccc(CN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)o1 ZINC000047569970 822592089 /nfs/dbraw/zinc/59/20/89/822592089.db2.gz GUFAZSTXNGLAQL-HDICACEKSA-N 1 2 397.519 4.394 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000184184339 822592272 /nfs/dbraw/zinc/59/22/72/822592272.db2.gz KGLCUDINECBLLW-ZDUSSCGKSA-N 1 2 389.908 4.332 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cccc(Br)c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000184189452 822593391 /nfs/dbraw/zinc/59/33/91/822593391.db2.gz NYPJMEJUQXCDNV-BXUZGUMPSA-N 1 2 382.689 4.022 20 0 GIADLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(-c4cccc(F)c4)o3)ccc2NC1=O ZINC000180004890 822594006 /nfs/dbraw/zinc/59/40/06/822594006.db2.gz SAIFPZKGDRDNBV-ACJLOTCBSA-N 1 2 395.434 4.441 20 0 GIADLO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](COCC(C)C)c2ccco2)cc1 ZINC000184210141 822596652 /nfs/dbraw/zinc/59/66/52/822596652.db2.gz XZWYKEHEIQPEPZ-CRAIPNDOSA-N 1 2 376.522 4.332 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184217188 822597751 /nfs/dbraw/zinc/59/77/51/822597751.db2.gz CIHOFLJQYYDHRT-QGZVFWFLSA-N 1 2 394.899 4.192 20 0 GIADLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000184224218 822598969 /nfs/dbraw/zinc/59/89/69/822598969.db2.gz AUEQEMVIYAAMSJ-APWZRJJASA-N 1 2 391.508 4.081 20 0 GIADLO COc1ccccc1S(=O)(=O)CCC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000184224218 822598974 /nfs/dbraw/zinc/59/89/74/822598974.db2.gz AUEQEMVIYAAMSJ-APWZRJJASA-N 1 2 391.508 4.081 20 0 GIADLO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000184235245 822600714 /nfs/dbraw/zinc/60/07/14/822600714.db2.gz DLDYKAWQJUJYEA-INIZCTEOSA-N 1 2 395.890 4.110 20 0 GIADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000047752444 822606112 /nfs/dbraw/zinc/60/61/12/822606112.db2.gz LCCPWHWIXZQFKC-CYBMUJFWSA-N 1 2 381.339 4.162 20 0 GIADLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000047752444 822606114 /nfs/dbraw/zinc/60/61/14/822606114.db2.gz LCCPWHWIXZQFKC-CYBMUJFWSA-N 1 2 381.339 4.162 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N[C@H]1CCSc2ccccc21 ZINC000047869714 822615476 /nfs/dbraw/zinc/61/54/76/822615476.db2.gz MEOBPSJEOQQEGB-IBGZPJMESA-N 1 2 392.528 4.010 20 0 GIADLO CC[C@H](C)n1ncc(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1C ZINC000455248095 822617200 /nfs/dbraw/zinc/61/72/00/822617200.db2.gz AKMOESGYGCHXND-ZDUSSCGKSA-N 1 2 386.887 4.323 20 0 GIADLO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000184345813 822619569 /nfs/dbraw/zinc/61/95/69/822619569.db2.gz YTRJVANPQVCJIE-CMPLNLGQSA-N 1 2 376.457 4.199 20 0 GIADLO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000184356011 822621383 /nfs/dbraw/zinc/62/13/83/822621383.db2.gz CWSLBCULZJPDSB-MRXNPFEDSA-N 1 2 395.890 4.110 20 0 GIADLO CCCc1c(NC(=O)NCc2c[nH+]c(C)cc2C)cnn1-c1ccc(F)cc1 ZINC000455270177 822622755 /nfs/dbraw/zinc/62/27/55/822622755.db2.gz NXHOKAFAXZJGBV-UHFFFAOYSA-N 1 2 381.455 4.297 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(F)c(SC)c(F)c2)c1C ZINC000184372065 822623746 /nfs/dbraw/zinc/62/37/46/822623746.db2.gz VGBOUPDKKKJHGR-UHFFFAOYSA-N 1 2 381.448 4.371 20 0 GIADLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1cc2c(cc1Br)OCCO2 ZINC000180137641 822624168 /nfs/dbraw/zinc/62/41/68/822624168.db2.gz PRLYCYGBYMOPAY-SNVBAGLBSA-N 1 2 398.684 4.430 20 0 GIADLO CCN(CC)c1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000180155553 822628614 /nfs/dbraw/zinc/62/86/14/822628614.db2.gz HDAHEVSOXFTCHR-UHFFFAOYSA-N 1 2 378.476 4.061 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)n1 ZINC000184403578 822629084 /nfs/dbraw/zinc/62/90/84/822629084.db2.gz RQIPUUVDGTWYIX-CQSZACIVSA-N 1 2 393.438 4.258 20 0 GIADLO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)n1 ZINC000184403578 822629087 /nfs/dbraw/zinc/62/90/87/822629087.db2.gz RQIPUUVDGTWYIX-CQSZACIVSA-N 1 2 393.438 4.258 20 0 GIADLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O)c1nc(C)cs1 ZINC000184420735 822631972 /nfs/dbraw/zinc/63/19/72/822631972.db2.gz SZQYNAZLNZKNCM-IUODEOHRSA-N 1 2 385.489 4.468 20 0 GIADLO CC(C)COc1ccccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000048117968 822634699 /nfs/dbraw/zinc/63/46/99/822634699.db2.gz QWIXKCIINKLLMI-UHFFFAOYSA-N 1 2 392.503 4.330 20 0 GIADLO Brc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccncc1)OCCCO2 ZINC000180197562 822637702 /nfs/dbraw/zinc/63/77/02/822637702.db2.gz ISXHYOBNJJTHIK-KRWDZBQOSA-N 1 2 389.293 4.343 20 0 GIADLO Brc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccncc1)OCCCO2 ZINC000180197562 822637705 /nfs/dbraw/zinc/63/77/05/822637705.db2.gz ISXHYOBNJJTHIK-KRWDZBQOSA-N 1 2 389.293 4.343 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1OC ZINC000184494660 822645280 /nfs/dbraw/zinc/64/52/80/822645280.db2.gz PJDLFYCNMUHNKN-OLZOCXBDSA-N 1 2 391.537 4.136 20 0 GIADLO O=C(C[N@H+](Cc1cccnc1)C1CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000180282479 822654700 /nfs/dbraw/zinc/65/47/00/822654700.db2.gz NAGKDKMWSQSNPP-QFIPXVFZSA-N 1 2 395.503 4.152 20 0 GIADLO O=C(C[N@@H+](Cc1cccnc1)C1CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000180282479 822654702 /nfs/dbraw/zinc/65/47/02/822654702.db2.gz NAGKDKMWSQSNPP-QFIPXVFZSA-N 1 2 395.503 4.152 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccco1 ZINC000184591528 822662779 /nfs/dbraw/zinc/66/27/79/822662779.db2.gz VVLFACXNXSLMJQ-WOJBJXKFSA-N 1 2 384.520 4.218 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccc(C)cc1)c1ccco1 ZINC000184608390 822665061 /nfs/dbraw/zinc/66/50/61/822665061.db2.gz ZFRFFTHBTAXCDY-LJQANCHMSA-N 1 2 380.444 4.296 20 0 GIADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Cc1ccccc1)c1ccco1 ZINC000184609008 822665287 /nfs/dbraw/zinc/66/52/87/822665287.db2.gz WULFRICTAPZBIN-DYESRHJHSA-N 1 2 378.472 4.175 20 0 GIADLO COc1cc(CN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)c(SC)cc1OC ZINC000455494113 822665555 /nfs/dbraw/zinc/66/55/55/822665555.db2.gz MRKFXHWYPDDEIC-UHFFFAOYSA-N 1 2 389.521 4.410 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c(C)[nH+]1 ZINC000455504484 822667671 /nfs/dbraw/zinc/66/76/71/822667671.db2.gz WRPXWUJLLINEOW-ZDUSSCGKSA-N 1 2 381.402 4.160 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2csc(NC(C)=O)n2)ccc1OCCC(C)C ZINC000180351626 822668390 /nfs/dbraw/zinc/66/83/90/822668390.db2.gz VPLSGGLUHIJTLJ-AWEZNQCLSA-N 1 2 391.537 4.386 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)c[nH+]1 ZINC000455559303 822674589 /nfs/dbraw/zinc/67/45/89/822674589.db2.gz NPVJMOUBDVLJCB-SFHVURJKSA-N 1 2 375.419 4.177 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(C)[C@H](C)c2ccccc2Br)c[nH+]1 ZINC000455565822 822675520 /nfs/dbraw/zinc/67/55/20/822675520.db2.gz WZFICCFGYCXRLO-CQSZACIVSA-N 1 2 376.298 4.364 20 0 GIADLO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180401409 822675798 /nfs/dbraw/zinc/67/57/98/822675798.db2.gz UQPFBTKCJVSGHK-GOSISDBHSA-N 1 2 387.443 4.388 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)c[nH+]1 ZINC000455568624 822676131 /nfs/dbraw/zinc/67/61/31/822676131.db2.gz JSJNPDINCPPCIE-OAHLLOKOSA-N 1 2 379.426 4.490 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(=O)NC1CCCCCCC1 ZINC000048637851 822676428 /nfs/dbraw/zinc/67/64/28/822676428.db2.gz DPAZVBIOCXXILW-UHFFFAOYSA-N 1 2 394.519 4.054 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000455589812 822679707 /nfs/dbraw/zinc/67/97/07/822679707.db2.gz MXAHMKSEDHWDGE-LMMKCTJWSA-N 1 2 386.927 4.299 20 0 GIADLO c1cn(CCCSc2nnc(Cc3ccccc3)n2-c2ccccc2)c[nH+]1 ZINC000180434705 822681146 /nfs/dbraw/zinc/68/11/46/822681146.db2.gz YUWJWHRRBWIVRF-UHFFFAOYSA-N 1 2 375.501 4.237 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(C)o1 ZINC000184718645 822681277 /nfs/dbraw/zinc/68/12/77/822681277.db2.gz PNAFANWRQPUCHW-BLLLJJGKSA-N 1 2 385.291 4.049 20 0 GIADLO COc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3Cn3cc[nH+]c3)cc2)c1 ZINC000180438697 822682151 /nfs/dbraw/zinc/68/21/51/822682151.db2.gz RXZHYWKRFCTEQM-SFHVURJKSA-N 1 2 392.459 4.381 20 0 GIADLO COc1cccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1OC(F)F ZINC000048776478 822682164 /nfs/dbraw/zinc/68/21/64/822682164.db2.gz TYGLDBYXJHEVEO-UHFFFAOYSA-N 1 2 399.441 4.261 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Br)cs1 ZINC000184738258 822684430 /nfs/dbraw/zinc/68/44/30/822684430.db2.gz LMBJLUCTHXEMPD-NSHDSACASA-N 1 2 382.327 4.066 20 0 GIADLO C[C@H]([NH2+]Cc1cccc(Cl)n1)c1cc2c(cc1Br)OCCO2 ZINC000180469242 822687572 /nfs/dbraw/zinc/68/75/72/822687572.db2.gz ZRULSEQGIXUOGN-JTQLQIEISA-N 1 2 383.673 4.120 20 0 GIADLO O=C(N[C@H](c1ccccc1)C(F)F)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455640289 822689105 /nfs/dbraw/zinc/68/91/05/822689105.db2.gz GPBFZXRPFCXOIC-GOSISDBHSA-N 1 2 376.451 4.091 20 0 GIADLO CCC(CC)n1nc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1C ZINC000180510936 822694188 /nfs/dbraw/zinc/69/41/88/822694188.db2.gz OIUIZKDXADMKIG-GOSISDBHSA-N 1 2 398.551 4.080 20 0 GIADLO Cc1ccc(CSCc2nnnn2-c2ccc(C(F)(F)F)cc2)c(C)[nH+]1 ZINC000184817740 822695024 /nfs/dbraw/zinc/69/50/24/822695024.db2.gz CZLBPNGZDBWWSD-UHFFFAOYSA-N 1 2 379.411 4.126 20 0 GIADLO COCCOc1cccc(C[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)c1 ZINC000180521818 822695535 /nfs/dbraw/zinc/69/55/35/822695535.db2.gz QJSZDEOZZLSDDV-UHFFFAOYSA-N 1 2 391.515 4.321 20 0 GIADLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c(C(C)(C)C)n1 ZINC000180532239 822697380 /nfs/dbraw/zinc/69/73/80/822697380.db2.gz ZDXZCPVENACYTM-QGZVFWFLSA-N 1 2 381.442 4.310 20 0 GIADLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c(C(C)(C)C)n1 ZINC000180532239 822697382 /nfs/dbraw/zinc/69/73/82/822697382.db2.gz ZDXZCPVENACYTM-QGZVFWFLSA-N 1 2 381.442 4.310 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000184837837 822697942 /nfs/dbraw/zinc/69/79/42/822697942.db2.gz RUNRTDXDUJNSDA-IYOUNJFTSA-N 1 2 378.900 4.038 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ncc(-c2ccccc2)o1 ZINC000184855739 822701304 /nfs/dbraw/zinc/70/13/04/822701304.db2.gz ZQHRHKFSBYWWLB-HZPDHXFCSA-N 1 2 381.451 4.351 20 0 GIADLO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184862750 822702609 /nfs/dbraw/zinc/70/26/09/822702609.db2.gz YOBHTSCESNJONX-QZTJIDSGSA-N 1 2 377.488 4.048 20 0 GIADLO C[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cc(Br)cc(F)c1O ZINC000184864711 822703039 /nfs/dbraw/zinc/70/30/39/822703039.db2.gz ZHUWTRVCEFPVOK-YGRLFVJLSA-N 1 2 387.318 4.309 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)N(C)Cc1cccc(F)c1 ZINC000184869085 822704077 /nfs/dbraw/zinc/70/40/77/822704077.db2.gz AYKDXTLQLPIQRZ-HZPDHXFCSA-N 1 2 381.451 4.178 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1ncc(-c2ccccc2)o1 ZINC000184872757 822704684 /nfs/dbraw/zinc/70/46/84/822704684.db2.gz MSHMPTZTEJZFAE-HUUCEWRRSA-N 1 2 399.441 4.490 20 0 GIADLO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1C ZINC000184892560 822708743 /nfs/dbraw/zinc/70/87/43/822708743.db2.gz KXNJTXCFYVOGMM-ZWKOTPCHSA-N 1 2 377.488 4.486 20 0 GIADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184899731 822709874 /nfs/dbraw/zinc/70/98/74/822709874.db2.gz XJIRFUKXCJBNHG-ZWKOTPCHSA-N 1 2 377.488 4.348 20 0 GIADLO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cc(Br)cc(F)c1O ZINC000184962364 822719144 /nfs/dbraw/zinc/71/91/44/822719144.db2.gz ZZPBIGHWDWBKIZ-LBPRGKRZSA-N 1 2 390.256 4.330 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)s1 ZINC000184974051 822720419 /nfs/dbraw/zinc/72/04/19/822720419.db2.gz ROHUKBBLDFUHND-XLIONFOSSA-N 1 2 379.529 4.202 20 0 GIADLO Cc1nc(C(C)(C)[NH2+]Cc2nc3cc(Br)ccc3[nH]2)sc1C ZINC000184987840 822722389 /nfs/dbraw/zinc/72/23/89/822722389.db2.gz LNNUCIGFEAZWTP-UHFFFAOYSA-N 1 2 379.327 4.424 20 0 GIADLO CCCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000455776947 822724533 /nfs/dbraw/zinc/72/45/33/822724533.db2.gz PNQQQVVDSCFENY-ZDUSSCGKSA-N 1 2 380.414 4.315 20 0 GIADLO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)c1 ZINC000185021018 822726164 /nfs/dbraw/zinc/72/61/64/822726164.db2.gz JKTKHYQBEUQUIU-SNVBAGLBSA-N 1 2 381.245 4.103 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1nccs1 ZINC000185042622 822728372 /nfs/dbraw/zinc/72/83/72/822728372.db2.gz TYTJUJDSAQFIDI-LLVKDONJSA-N 1 2 377.819 4.495 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2cccnc2Sc2ccccc2)c1C ZINC000050449480 822729716 /nfs/dbraw/zinc/72/97/16/822729716.db2.gz UVQBHFGMHYYJAE-UHFFFAOYSA-N 1 2 379.485 4.183 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](Oc2ccccc2)c2ccccc2)c1C ZINC000050448055 822729720 /nfs/dbraw/zinc/72/97/20/822729720.db2.gz PDWLEQDOFMNGAX-QFIPXVFZSA-N 1 2 376.456 4.144 20 0 GIADLO COc1cccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)c1OC ZINC000185076986 822733750 /nfs/dbraw/zinc/73/37/50/822733750.db2.gz KULNRRURCOXBAQ-SNVBAGLBSA-N 1 2 384.245 4.162 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)c1nccs1 ZINC000185078761 822734046 /nfs/dbraw/zinc/73/40/46/822734046.db2.gz XFFHCZGFOLLVFA-HKUYNNGSSA-N 1 2 375.513 4.371 20 0 GIADLO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)c1O ZINC000185082351 822734572 /nfs/dbraw/zinc/73/45/72/822734572.db2.gz STNZJWGTHMDXKH-SNVBAGLBSA-N 1 2 389.814 4.288 20 0 GIADLO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cn1 ZINC000185085338 822734706 /nfs/dbraw/zinc/73/47/06/822734706.db2.gz KROGSRJXMRYNKP-LBPRGKRZSA-N 1 2 396.304 4.386 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1nccs1 ZINC000185094446 822736254 /nfs/dbraw/zinc/73/62/54/822736254.db2.gz YBBPROBQIDXPJI-QAPCUYQASA-N 1 2 389.521 4.290 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1nccs1 ZINC000185094280 822736263 /nfs/dbraw/zinc/73/62/63/822736263.db2.gz BDXVZADQSOKUHX-NSHDSACASA-N 1 2 375.828 4.077 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3scnc3C(C)C)CC2)s1 ZINC000455849966 822736776 /nfs/dbraw/zinc/73/67/76/822736776.db2.gz RWVSACVZEUPOON-UHFFFAOYSA-N 1 2 378.567 4.240 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1nccs1 ZINC000185112670 822738613 /nfs/dbraw/zinc/73/86/13/822738613.db2.gz MGLUIESAAUUFEQ-HNNXBMFYSA-N 1 2 390.509 4.009 20 0 GIADLO Cc1nc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)sc1Cc1ccccc1F ZINC000455912245 822747704 /nfs/dbraw/zinc/74/77/04/822747704.db2.gz FTJRYWAKXPGECL-OAHLLOKOSA-N 1 2 399.495 4.316 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1C ZINC000051334502 822756522 /nfs/dbraw/zinc/75/65/22/822756522.db2.gz KCZQACHAKDBVNN-UHFFFAOYSA-N 1 2 381.398 4.067 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1C ZINC000051335524 822756653 /nfs/dbraw/zinc/75/66/53/822756653.db2.gz VXJLANZIIUNHLQ-CYBMUJFWSA-N 1 2 381.398 4.286 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1C ZINC000051334969 822756672 /nfs/dbraw/zinc/75/66/72/822756672.db2.gz OASGRTSINLGFHR-IBGZPJMESA-N 1 2 399.491 4.496 20 0 GIADLO N#Cc1c(Cl)nsc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000051476540 822761669 /nfs/dbraw/zinc/76/16/69/822761669.db2.gz VUQRHZWBTPKSLY-UHFFFAOYSA-N 1 2 386.830 4.009 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc(CC(F)(F)F)c1 ZINC000174305735 822768067 /nfs/dbraw/zinc/76/80/67/822768067.db2.gz RPGIFFDSXKYQLZ-UHFFFAOYSA-N 1 2 378.398 4.108 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+](C)[C@H](CO)CC(C)C)cs1 ZINC000185338916 822768130 /nfs/dbraw/zinc/76/81/30/822768130.db2.gz WZKCUYKEJDDAOS-IBGZPJMESA-N 1 2 389.565 4.229 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+](C)[C@H](CO)CC(C)C)cs1 ZINC000185338916 822768133 /nfs/dbraw/zinc/76/81/33/822768133.db2.gz WZKCUYKEJDDAOS-IBGZPJMESA-N 1 2 389.565 4.229 20 0 GIADLO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185414701 822780864 /nfs/dbraw/zinc/78/08/64/822780864.db2.gz UOIBFUHNMUCQLZ-OPAMFIHVSA-N 1 2 394.494 4.389 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(Cl)cc3F)CC2)cc1 ZINC000174396684 822783949 /nfs/dbraw/zinc/78/39/49/822783949.db2.gz FNXZKDRMCYTGPG-UHFFFAOYSA-N 1 2 390.890 4.336 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)o1 ZINC000185548290 822795446 /nfs/dbraw/zinc/79/54/46/822795446.db2.gz JBLIQAPASALMST-ZUZCIYMTSA-N 1 2 386.261 4.488 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)n2)c(OC)c1 ZINC000052455855 822800261 /nfs/dbraw/zinc/80/02/61/822800261.db2.gz LDKPBDPEAJFWEI-GOSISDBHSA-N 1 2 383.423 4.230 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)n2)c(OC)c1 ZINC000052455855 822800262 /nfs/dbraw/zinc/80/02/62/822800262.db2.gz LDKPBDPEAJFWEI-GOSISDBHSA-N 1 2 383.423 4.230 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2Cc2ccccc2)ccc1O ZINC000174537375 822802674 /nfs/dbraw/zinc/80/26/74/822802674.db2.gz QZKWMHCDIBAFMR-UHFFFAOYSA-N 1 2 390.483 4.062 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2Cc2ccccc2)ccc1O ZINC000174537375 822802678 /nfs/dbraw/zinc/80/26/78/822802678.db2.gz QZKWMHCDIBAFMR-UHFFFAOYSA-N 1 2 390.483 4.062 20 0 GIADLO C[C@@H](Sc1ccccc1Cl)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000052560342 822803773 /nfs/dbraw/zinc/80/37/73/822803773.db2.gz BAWBBISYBQQZGG-OAHLLOKOSA-N 1 2 385.920 4.382 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000052620736 822805623 /nfs/dbraw/zinc/80/56/23/822805623.db2.gz CNHRMTGWYRVXGO-IBGZPJMESA-N 1 2 386.455 4.092 20 0 GIADLO COc1ccc(OC)c([C@@H](C)NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000174566099 822805674 /nfs/dbraw/zinc/80/56/74/822805674.db2.gz OGQLJXMOUZBNJS-HZPDHXFCSA-N 1 2 394.475 4.011 20 0 GIADLO COC(=O)COc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3ccccc3C)no2)cc1 ZINC000185653963 822807144 /nfs/dbraw/zinc/80/71/44/822807144.db2.gz YQUOZFBAVKWUGO-HZPDHXFCSA-N 1 2 395.459 4.009 20 0 GIADLO C[N@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1ccccc1N1CCOCC1 ZINC000052686732 822807280 /nfs/dbraw/zinc/80/72/80/822807280.db2.gz SIQRWAWVXDWXPR-UHFFFAOYSA-N 1 2 397.519 4.418 20 0 GIADLO C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)Cc1ccccc1N1CCOCC1 ZINC000052686732 822807281 /nfs/dbraw/zinc/80/72/81/822807281.db2.gz SIQRWAWVXDWXPR-UHFFFAOYSA-N 1 2 397.519 4.418 20 0 GIADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052712031 822807935 /nfs/dbraw/zinc/80/79/35/822807935.db2.gz WOTSIXVZUJRBTM-AWEZNQCLSA-N 1 2 388.924 4.330 20 0 GIADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1C ZINC000052749602 822809407 /nfs/dbraw/zinc/80/94/07/822809407.db2.gz OSYZSECSZSXILU-IBGZPJMESA-N 1 2 399.498 4.171 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000052749838 822809464 /nfs/dbraw/zinc/80/94/64/822809464.db2.gz CSMIMTSIFOZEDS-INIZCTEOSA-N 1 2 388.496 4.492 20 0 GIADLO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[NH+]2CCC(CO)CC2)cc1 ZINC000052819983 822811764 /nfs/dbraw/zinc/81/17/64/822811764.db2.gz VMVWIPHWEPPFHY-UHFFFAOYSA-N 1 2 388.895 4.084 20 0 GIADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(-c3csc(C)n3)c2)on1 ZINC000052821821 822811983 /nfs/dbraw/zinc/81/19/83/822811983.db2.gz YHLNYLOJRTUTEA-GOSISDBHSA-N 1 2 382.489 4.191 20 0 GIADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(-c3csc(C)n3)c2)on1 ZINC000052821821 822811986 /nfs/dbraw/zinc/81/19/86/822811986.db2.gz YHLNYLOJRTUTEA-GOSISDBHSA-N 1 2 382.489 4.191 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847891 822812846 /nfs/dbraw/zinc/81/28/46/822812846.db2.gz RCOCHDZJMYYZNY-GFCCVEGCSA-N 1 2 397.338 4.287 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847891 822812848 /nfs/dbraw/zinc/81/28/48/822812848.db2.gz RCOCHDZJMYYZNY-GFCCVEGCSA-N 1 2 397.338 4.287 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1O ZINC000174622701 822813791 /nfs/dbraw/zinc/81/37/91/822813791.db2.gz OBAMXBSDJLCWKY-LLVKDONJSA-N 1 2 383.275 4.167 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1O ZINC000174622701 822813793 /nfs/dbraw/zinc/81/37/93/822813793.db2.gz OBAMXBSDJLCWKY-LLVKDONJSA-N 1 2 383.275 4.167 20 0 GIADLO O=C(Nc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000052926578 822815836 /nfs/dbraw/zinc/81/58/36/822815836.db2.gz ORDYKMWMBPKQPG-UHFFFAOYSA-N 1 2 382.423 4.377 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000052926501 822815906 /nfs/dbraw/zinc/81/59/06/822815906.db2.gz IDDGXFNCJVLHPT-UHFFFAOYSA-N 1 2 387.549 4.223 20 0 GIADLO CCCOc1cc(C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)ccc1OC ZINC000174655117 822818606 /nfs/dbraw/zinc/81/86/06/822818606.db2.gz RAGCMMSOFLDAAU-HNNXBMFYSA-N 1 2 397.475 4.393 20 0 GIADLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4nc(-c5ccco5)no4)CC3)c2c1 ZINC000053074206 822820455 /nfs/dbraw/zinc/82/04/55/822820455.db2.gz MLSZMRFUNXBBHX-UHFFFAOYSA-N 1 2 376.416 4.109 20 0 GIADLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nc(-c5ccco5)no4)CC3)c2c1 ZINC000053074206 822820456 /nfs/dbraw/zinc/82/04/56/822820456.db2.gz MLSZMRFUNXBBHX-UHFFFAOYSA-N 1 2 376.416 4.109 20 0 GIADLO C[C@H]([NH2+]Cc1cccc(Br)c1)c1nc(-c2cccc(F)c2)no1 ZINC000174666321 822820871 /nfs/dbraw/zinc/82/08/71/822820871.db2.gz NVPNEZAOSJSMPO-NSHDSACASA-N 1 2 376.229 4.489 20 0 GIADLO COc1cc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)ccc1OC(F)F ZINC000174666443 822820929 /nfs/dbraw/zinc/82/09/29/822820929.db2.gz REZZCBIESRBIPG-NSHDSACASA-N 1 2 393.365 4.337 20 0 GIADLO COc1cc(-c2ccccc2)sc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000053188611 822825396 /nfs/dbraw/zinc/82/53/96/822825396.db2.gz DULYJWKOSVCIJL-UHFFFAOYSA-N 1 2 393.512 4.218 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)cc1Cl ZINC000053231961 822827101 /nfs/dbraw/zinc/82/71/01/822827101.db2.gz LGVQXXTUWAAMIE-UHFFFAOYSA-N 1 2 392.858 4.099 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1Cl ZINC000053231961 822827105 /nfs/dbraw/zinc/82/71/05/822827105.db2.gz LGVQXXTUWAAMIE-UHFFFAOYSA-N 1 2 392.858 4.099 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000053231794 822827111 /nfs/dbraw/zinc/82/71/11/822827111.db2.gz DRLISEBEUOIZIL-UHFFFAOYSA-N 1 2 392.478 4.231 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000053231794 822827115 /nfs/dbraw/zinc/82/71/15/822827115.db2.gz DRLISEBEUOIZIL-UHFFFAOYSA-N 1 2 392.478 4.231 20 0 GIADLO COc1cc(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)c(OC)cc1Cl ZINC000053231969 822827185 /nfs/dbraw/zinc/82/71/85/822827185.db2.gz IGQRQEZZXGDUOL-UHFFFAOYSA-N 1 2 392.858 4.099 20 0 GIADLO COc1cc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)c(OC)cc1Cl ZINC000053231969 822827186 /nfs/dbraw/zinc/82/71/86/822827186.db2.gz IGQRQEZZXGDUOL-UHFFFAOYSA-N 1 2 392.858 4.099 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1(C(C)(C)c3ccc(F)cc3)CC1)C2 ZINC000456773037 822830114 /nfs/dbraw/zinc/83/01/14/822830114.db2.gz MHBDVPLHSCSGCK-OAHLLOKOSA-N 1 2 383.511 4.404 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1(C(C)(C)c3ccc(F)cc3)CC1)CC2 ZINC000456773037 822830116 /nfs/dbraw/zinc/83/01/16/822830116.db2.gz MHBDVPLHSCSGCK-OAHLLOKOSA-N 1 2 383.511 4.404 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000456812377 822833876 /nfs/dbraw/zinc/83/38/76/822833876.db2.gz QVLJALCGAKGRDY-UHFFFAOYSA-N 1 2 395.453 4.305 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000174763876 822834103 /nfs/dbraw/zinc/83/41/03/822834103.db2.gz TXYACFMKLNXYPB-NXVVXOECSA-N 1 2 398.466 4.400 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185932538 822834993 /nfs/dbraw/zinc/83/49/93/822834993.db2.gz NEVRTFZEJWFKKK-ZDUSSCGKSA-N 1 2 377.476 4.241 20 0 GIADLO Cc1cc(C)c(CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)c[nH+]1 ZINC000456826378 822835630 /nfs/dbraw/zinc/83/56/30/822835630.db2.gz AUHNOERSNJWNCQ-UHFFFAOYSA-N 1 2 378.394 4.236 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 ZINC000185944601 822835936 /nfs/dbraw/zinc/83/59/36/822835936.db2.gz FHUHMDVKMAWPFJ-HNNXBMFYSA-N 1 2 381.505 4.049 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000185947597 822836225 /nfs/dbraw/zinc/83/62/25/822836225.db2.gz HFIWXOQJBBDQPF-NSHDSACASA-N 1 2 377.819 4.495 20 0 GIADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456834839 822836612 /nfs/dbraw/zinc/83/66/12/822836612.db2.gz ILADITGRYXMINU-UHFFFAOYSA-N 1 2 382.895 4.143 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1nc(C(F)(F)F)cs1 ZINC000185956682 822837197 /nfs/dbraw/zinc/83/71/97/822837197.db2.gz DYMRWORPLZQVPP-CQSZACIVSA-N 1 2 397.466 4.051 20 0 GIADLO CC[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1nc(C(F)(F)F)cs1 ZINC000185962153 822838105 /nfs/dbraw/zinc/83/81/05/822838105.db2.gz MBHUZLLIEIXKHR-LBPRGKRZSA-N 1 2 391.846 4.172 20 0 GIADLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC000186007279 822843266 /nfs/dbraw/zinc/84/32/66/822843266.db2.gz OAXZMBQLROIZLH-KRWDZBQOSA-N 1 2 394.479 4.200 20 0 GIADLO COC(=O)c1sc2ccccc2c1C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186015272 822844081 /nfs/dbraw/zinc/84/40/81/822844081.db2.gz HICHWUPUVFZIHM-UHFFFAOYSA-N 1 2 385.407 4.031 20 0 GIADLO COc1ccc([C@H](NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c2ccco2)cc1 ZINC000456981967 822844548 /nfs/dbraw/zinc/84/45/48/822844548.db2.gz AHBOXTPEUHJMGO-KKSFZXQISA-N 1 2 393.487 4.145 20 0 GIADLO COc1ccc([C@H](NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c2ccco2)cc1 ZINC000456981967 822844550 /nfs/dbraw/zinc/84/45/50/822844550.db2.gz AHBOXTPEUHJMGO-KKSFZXQISA-N 1 2 393.487 4.145 20 0 GIADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)cc1 ZINC000174862413 822848054 /nfs/dbraw/zinc/84/80/54/822848054.db2.gz RQFIXZYLQQHSOI-UHFFFAOYSA-N 1 2 378.451 4.032 20 0 GIADLO O=C(C[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000053814841 822849273 /nfs/dbraw/zinc/84/92/73/822849273.db2.gz OGGSQEJBOVHFRM-UHFFFAOYSA-N 1 2 390.455 4.435 20 0 GIADLO O=C(C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000053814841 822849274 /nfs/dbraw/zinc/84/92/74/822849274.db2.gz OGGSQEJBOVHFRM-UHFFFAOYSA-N 1 2 390.455 4.435 20 0 GIADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)c(O)c1 ZINC000186101059 822851649 /nfs/dbraw/zinc/85/16/49/822851649.db2.gz XCWRSEMWIQWDFR-GFCCVEGCSA-N 1 2 387.281 4.099 20 0 GIADLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)c(O)c1 ZINC000186101059 822851652 /nfs/dbraw/zinc/85/16/52/822851652.db2.gz XCWRSEMWIQWDFR-GFCCVEGCSA-N 1 2 387.281 4.099 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000053896678 822852226 /nfs/dbraw/zinc/85/22/26/822852226.db2.gz JCLWFORBKNOFAK-UHFFFAOYSA-N 1 2 377.463 4.199 20 0 GIADLO COc1c(C)ccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1C ZINC000174901431 822852853 /nfs/dbraw/zinc/85/28/53/822852853.db2.gz CMXVODWVYHPLHP-UHFFFAOYSA-N 1 2 396.535 4.169 20 0 GIADLO COc1ccc(F)cc1C[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000174901056 822852869 /nfs/dbraw/zinc/85/28/69/822852869.db2.gz ZAQPLLZESDTJIX-QFIPXVFZSA-N 1 2 399.487 4.117 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CSc2ccccc21 ZINC000174901389 822852964 /nfs/dbraw/zinc/85/29/64/822852964.db2.gz HVCZMULFVBQUMC-LJQANCHMSA-N 1 2 381.545 4.036 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1ccc(Cl)cc1 ZINC000174902312 822853086 /nfs/dbraw/zinc/85/30/86/822853086.db2.gz PAGOJSABEPNHPK-UHFFFAOYSA-N 1 2 385.939 4.433 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1sccc1OC(F)F ZINC000174903940 822853311 /nfs/dbraw/zinc/85/33/11/822853311.db2.gz ZSQSGGHRPZVETM-UHFFFAOYSA-N 1 2 395.475 4.123 20 0 GIADLO CCC(CC)c1cc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)on1 ZINC000174907139 822853964 /nfs/dbraw/zinc/85/39/64/822853964.db2.gz LMWYGRHBHONPOY-UHFFFAOYSA-N 1 2 384.524 4.352 20 0 GIADLO CCCN(C)c1ccc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000174914997 822855379 /nfs/dbraw/zinc/85/53/79/822855379.db2.gz UKQUAZNALMDXTO-UHFFFAOYSA-N 1 2 394.563 4.307 20 0 GIADLO C[C@@H](NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)C1CC1 ZINC000053983355 822855451 /nfs/dbraw/zinc/85/54/51/822855451.db2.gz HHPHLPCUHFJWII-CQSZACIVSA-N 1 2 378.879 4.076 20 0 GIADLO Brc1ccc(-c2nnc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)o2)o1 ZINC000186158480 822856735 /nfs/dbraw/zinc/85/67/35/822856735.db2.gz PFACUMCKDFAUGL-UHFFFAOYSA-N 1 2 386.249 4.140 20 0 GIADLO Brc1ccc(-c2nnc(C[N@H+]3Cc4ccccc4C4(CC4)C3)o2)o1 ZINC000186158480 822856737 /nfs/dbraw/zinc/85/67/37/822856737.db2.gz PFACUMCKDFAUGL-UHFFFAOYSA-N 1 2 386.249 4.140 20 0 GIADLO Cc1ccccc1-n1c(=S)n(C[N@H+]2CC[C@H](C)[C@@H]2C)nc1-c1cccnc1 ZINC000174950623 822860127 /nfs/dbraw/zinc/86/01/27/822860127.db2.gz CCVMKFLELUGYMW-RDJZCZTQSA-N 1 2 379.533 4.462 20 0 GIADLO Cc1ccccc1-n1c(=S)n(C[N@@H+]2CC[C@H](C)[C@@H]2C)nc1-c1cccnc1 ZINC000174950623 822860129 /nfs/dbraw/zinc/86/01/29/822860129.db2.gz CCVMKFLELUGYMW-RDJZCZTQSA-N 1 2 379.533 4.462 20 0 GIADLO O=C([C@H]1CCCc2[nH+]ccn21)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457339757 822868482 /nfs/dbraw/zinc/86/84/82/822868482.db2.gz AXHPHVFRKFHPJH-IAGOWNOFSA-N 1 2 383.883 4.044 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1occc1COc1ccccc1 ZINC000054224329 822869337 /nfs/dbraw/zinc/86/93/37/822869337.db2.gz FFUXGNIDIFLFHU-UHFFFAOYSA-N 1 2 377.375 4.436 20 0 GIADLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2csc(C(C)C)n2)cc1 ZINC000186283919 822870435 /nfs/dbraw/zinc/87/04/35/822870435.db2.gz YGOFLOZIVSPLAB-OAHLLOKOSA-N 1 2 395.594 4.148 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000175037018 822871773 /nfs/dbraw/zinc/87/17/73/822871773.db2.gz NMQVHGJYOLCXRC-OALUTQOASA-N 1 2 390.597 4.004 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000186325309 822876268 /nfs/dbraw/zinc/87/62/68/822876268.db2.gz PIXOOARFBFQWOO-IBGZPJMESA-N 1 2 383.879 4.129 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cnc3ccccc3c2)C[C@H](C)O1 ZINC000457467081 822877834 /nfs/dbraw/zinc/87/78/34/822877834.db2.gz UIFWTUDEQPKMMW-CALCHBBNSA-N 1 2 375.472 4.096 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cnc3ccccc3c2)C[C@H](C)O1 ZINC000457467081 822877838 /nfs/dbraw/zinc/87/78/38/822877838.db2.gz UIFWTUDEQPKMMW-CALCHBBNSA-N 1 2 375.472 4.096 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C(C)C)C2 ZINC000054391518 822881222 /nfs/dbraw/zinc/88/12/22/822881222.db2.gz VXBYIEAXYTYGKT-INIZCTEOSA-N 1 2 379.504 4.154 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C(C)C)C2 ZINC000054391518 822881224 /nfs/dbraw/zinc/88/12/24/822881224.db2.gz VXBYIEAXYTYGKT-INIZCTEOSA-N 1 2 379.504 4.154 20 0 GIADLO CC1(C)CC[C@]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)(C(=O)[O-])c2ccccc21 ZINC000569126905 822881903 /nfs/dbraw/zinc/88/19/03/822881903.db2.gz SHMHVBAKVMGOST-HSZRJFAPSA-N 1 2 375.472 4.013 20 0 GIADLO COc1cc2cc[nH+]c(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)c2cc1F ZINC000569146632 822883859 /nfs/dbraw/zinc/88/38/59/822883859.db2.gz POOZQGNVPOEFSW-OAHLLOKOSA-N 1 2 381.451 4.038 20 0 GIADLO O=C(c1ccc(C2SCCCS2)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186384730 822885884 /nfs/dbraw/zinc/88/58/84/822885884.db2.gz WYDBNSKBZZUVCY-UHFFFAOYSA-N 1 2 399.585 4.303 20 0 GIADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000175121203 822886420 /nfs/dbraw/zinc/88/64/20/822886420.db2.gz VPXMPZABOFYAQU-ZDUSSCGKSA-N 1 2 391.269 4.158 20 0 GIADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000175121203 822886427 /nfs/dbraw/zinc/88/64/27/822886427.db2.gz VPXMPZABOFYAQU-ZDUSSCGKSA-N 1 2 391.269 4.158 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000569188926 822890722 /nfs/dbraw/zinc/89/07/22/822890722.db2.gz LEQSKSIKXGMYHT-SHTZXODSSA-N 1 2 388.512 4.336 20 0 GIADLO CC[N@H+](CC(C)C)Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S ZINC000054514162 822892148 /nfs/dbraw/zinc/89/21/48/822892148.db2.gz BDPUQADRMMOCPF-UHFFFAOYSA-N 1 2 387.553 4.174 20 0 GIADLO CC[N@@H+](CC(C)C)Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S ZINC000054514162 822892152 /nfs/dbraw/zinc/89/21/52/822892152.db2.gz BDPUQADRMMOCPF-UHFFFAOYSA-N 1 2 387.553 4.174 20 0 GIADLO c1sc(COc2ccccc2)nc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186450853 822897787 /nfs/dbraw/zinc/89/77/87/822897787.db2.gz IXQUCNWVKSZOOW-JOCHJYFZSA-N 1 2 378.497 4.354 20 0 GIADLO c1sc(COc2ccccc2)nc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186450853 822897794 /nfs/dbraw/zinc/89/77/94/822897794.db2.gz IXQUCNWVKSZOOW-JOCHJYFZSA-N 1 2 378.497 4.354 20 0 GIADLO C[N@H+](Cc1cc2ccccc2o1)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000175180597 822898928 /nfs/dbraw/zinc/89/89/28/822898928.db2.gz UZENSFPCNZBSDP-UHFFFAOYSA-N 1 2 388.221 4.470 20 0 GIADLO C[N@@H+](Cc1cc2ccccc2o1)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000175180597 822898934 /nfs/dbraw/zinc/89/89/34/822898934.db2.gz UZENSFPCNZBSDP-UHFFFAOYSA-N 1 2 388.221 4.470 20 0 GIADLO COC(=O)C[C@](C)([NH2+]Cc1nc(C(C)(C)C)cs1)c1cccc(OC)c1 ZINC000569286947 822901814 /nfs/dbraw/zinc/90/18/14/822901814.db2.gz NHWBNGZEDAGITQ-FQEVSTJZSA-N 1 2 376.522 4.017 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1(c3cccc(C(F)(F)F)c3)CC1)C2 ZINC000569290588 822902488 /nfs/dbraw/zinc/90/24/88/822902488.db2.gz BXWSZTBABWORSK-ZDUSSCGKSA-N 1 2 391.437 4.462 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1(c3cccc(C(F)(F)F)c3)CC1)CC2 ZINC000569290588 822902490 /nfs/dbraw/zinc/90/24/90/822902490.db2.gz BXWSZTBABWORSK-ZDUSSCGKSA-N 1 2 391.437 4.462 20 0 GIADLO CC(C)(C)C(=O)c1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000569292285 822902737 /nfs/dbraw/zinc/90/27/37/822902737.db2.gz IIJRSARDLPEAQA-UHFFFAOYSA-N 1 2 390.487 4.482 20 0 GIADLO CC(C)(c1ccccc1)C1(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000457675265 822905027 /nfs/dbraw/zinc/90/50/27/822905027.db2.gz NBIJYQRBNKHZSM-UHFFFAOYSA-N 1 2 388.515 4.241 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2Cc3ccccc3C[C@H]2C)C[C@@H](C)O1 ZINC000175213073 822905648 /nfs/dbraw/zinc/90/56/48/822905648.db2.gz SPKPPNGICOYTQH-GUDVDZBRSA-N 1 2 393.531 4.275 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457691742 822907387 /nfs/dbraw/zinc/90/73/87/822907387.db2.gz ALQOPXKLHQACKI-IEBWSBKVSA-N 1 2 375.875 4.250 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457691742 822907391 /nfs/dbraw/zinc/90/73/91/822907391.db2.gz ALQOPXKLHQACKI-IEBWSBKVSA-N 1 2 375.875 4.250 20 0 GIADLO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000175242283 822912269 /nfs/dbraw/zinc/91/22/69/822912269.db2.gz XXYHWXWQIMVOSY-GOSISDBHSA-N 1 2 380.536 4.090 20 0 GIADLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)c1C ZINC000054807866 822914656 /nfs/dbraw/zinc/91/46/56/822914656.db2.gz LOQRONMQZGMANK-UHFFFAOYSA-N 1 2 393.531 4.000 20 0 GIADLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)c1C ZINC000054807866 822914658 /nfs/dbraw/zinc/91/46/58/822914658.db2.gz LOQRONMQZGMANK-UHFFFAOYSA-N 1 2 393.531 4.000 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(OC(C)C)cc1Cl ZINC000457762442 822916087 /nfs/dbraw/zinc/91/60/87/822916087.db2.gz POEDHAFPXDPYAZ-UHFFFAOYSA-N 1 2 377.916 4.439 20 0 GIADLO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000054839722 822917136 /nfs/dbraw/zinc/91/71/36/822917136.db2.gz JYXZFIRFECUGOC-MRXNPFEDSA-N 1 2 395.532 4.376 20 0 GIADLO Cn1c[nH+]c(CCNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c1 ZINC000569444864 822924480 /nfs/dbraw/zinc/92/44/80/822924480.db2.gz ONCZMELNUKSLIH-UHFFFAOYSA-N 1 2 387.814 4.280 20 0 GIADLO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000569447855 822924983 /nfs/dbraw/zinc/92/49/83/822924983.db2.gz WXFNNWIYHQTCNL-FUHWJXTLSA-N 1 2 375.472 4.064 20 0 GIADLO Cc1ccc(S[C@@H](C(=O)NCCc2cn(C)c[nH+]2)c2ccccc2)c(C)c1 ZINC000457849296 822925276 /nfs/dbraw/zinc/92/52/76/822925276.db2.gz FCWGXBSDFIVNSV-OAQYLSRUSA-N 1 2 379.529 4.229 20 0 GIADLO COc1ccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1SC ZINC000457896300 822930018 /nfs/dbraw/zinc/93/00/18/822930018.db2.gz FOEBOHXAIWUKPA-UHFFFAOYSA-N 1 2 387.530 4.245 20 0 GIADLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000186663330 822932254 /nfs/dbraw/zinc/93/22/54/822932254.db2.gz SJRSXBFOANZXDR-ZDUSSCGKSA-N 1 2 379.913 4.174 20 0 GIADLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000186663330 822932257 /nfs/dbraw/zinc/93/22/57/822932257.db2.gz SJRSXBFOANZXDR-ZDUSSCGKSA-N 1 2 379.913 4.174 20 0 GIADLO CC[C@@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C(=O)OC(C)(C)C ZINC000569521189 822934192 /nfs/dbraw/zinc/93/41/92/822934192.db2.gz XRIIPVJAHIBNDY-GOSISDBHSA-N 1 2 398.507 4.128 20 0 GIADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1nc2ccccc2cc1Br ZINC000569530542 822935501 /nfs/dbraw/zinc/93/55/01/822935501.db2.gz SEMCSTCNNMMORY-UHFFFAOYSA-N 1 2 393.244 4.435 20 0 GIADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000055055417 822935614 /nfs/dbraw/zinc/93/56/14/822935614.db2.gz BPWAJSUANCXKFQ-UHFFFAOYSA-N 1 2 395.478 4.435 20 0 GIADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000055055417 822935615 /nfs/dbraw/zinc/93/56/15/822935615.db2.gz BPWAJSUANCXKFQ-UHFFFAOYSA-N 1 2 395.478 4.435 20 0 GIADLO Cc1cc2cccnc2c(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000569549034 822938507 /nfs/dbraw/zinc/93/85/07/822938507.db2.gz AFPKQUFGAXVXAP-UHFFFAOYSA-N 1 2 389.503 4.488 20 0 GIADLO Cc1ccc(Oc2ccccc2CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000569561536 822940203 /nfs/dbraw/zinc/94/02/03/822940203.db2.gz XTIFGNUVVBWLQC-UHFFFAOYSA-N 1 2 375.472 4.459 20 0 GIADLO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000175355511 822943836 /nfs/dbraw/zinc/94/38/36/822943836.db2.gz KEOAQTUZAAKHKJ-RXVVDRJESA-N 1 2 378.520 4.160 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000055365419 822954851 /nfs/dbraw/zinc/95/48/51/822954851.db2.gz JRWMQWVTRJPORI-UHFFFAOYSA-N 1 2 379.529 4.020 20 0 GIADLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cc(C2CC2)no1 ZINC000569710525 822957713 /nfs/dbraw/zinc/95/77/13/822957713.db2.gz YGGYOQPGMNOBGG-UHFFFAOYSA-N 1 2 394.302 4.253 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000175404750 822960821 /nfs/dbraw/zinc/96/08/21/822960821.db2.gz JFNWISBBOXIOLY-UOXLDJKESA-N 1 2 399.343 4.362 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000175404750 822960824 /nfs/dbraw/zinc/96/08/24/822960824.db2.gz JFNWISBBOXIOLY-UOXLDJKESA-N 1 2 399.343 4.362 20 0 GIADLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000186821757 822961403 /nfs/dbraw/zinc/96/14/03/822961403.db2.gz SYAWZENEFQUKMD-CQSZACIVSA-N 1 2 386.496 4.124 20 0 GIADLO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000175433246 822967628 /nfs/dbraw/zinc/96/76/28/822967628.db2.gz VEMHCYCIFDBDBR-JTSKRJEESA-N 1 2 392.478 4.363 20 0 GIADLO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000175434078 822967861 /nfs/dbraw/zinc/96/78/61/822967861.db2.gz ZVGICUQDXGFAJC-MRXNPFEDSA-N 1 2 397.548 4.161 20 0 GIADLO Cc1ccc(C(C)(C)CN(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000175434777 822968065 /nfs/dbraw/zinc/96/80/65/822968065.db2.gz VYKBFLZBFKNDOC-UHFFFAOYSA-N 1 2 390.531 4.359 20 0 GIADLO C[C@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[C@H]1c1ccccc1 ZINC000175434750 822968109 /nfs/dbraw/zinc/96/81/09/822968109.db2.gz SUXPQSMYNNDJLA-WMZHIEFXSA-N 1 2 388.515 4.267 20 0 GIADLO Cc1ccccc1-c1cnc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)o1 ZINC000569782682 822968196 /nfs/dbraw/zinc/96/81/96/822968196.db2.gz GWXBPRCWYOMQPL-GCJKJVERSA-N 1 2 395.890 4.365 20 0 GIADLO Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)nc2)cc1 ZINC000569786910 822969273 /nfs/dbraw/zinc/96/92/73/822969273.db2.gz ZJFDIVPBENWQEN-UTKZUKDTSA-N 1 2 376.460 4.102 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(OC3CCC3)c(F)c2)c1C ZINC000175469885 822976764 /nfs/dbraw/zinc/97/67/64/822976764.db2.gz YXFXDWRSXNZSLP-UHFFFAOYSA-N 1 2 387.455 4.441 20 0 GIADLO O=C(Cc1c[nH]c2cc(Cl)ccc12)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000569859199 822977129 /nfs/dbraw/zinc/97/71/29/822977129.db2.gz OCCDWXMNDWKWAF-QAQDUYKDSA-N 1 2 382.895 4.298 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000569859702 822977461 /nfs/dbraw/zinc/97/74/61/822977461.db2.gz IHPFMLFAUFVRQE-UHFFFAOYSA-N 1 2 377.778 4.057 20 0 GIADLO COc1ccc([C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c2ccccc2Cl)c(C)c1 ZINC000569864427 822977994 /nfs/dbraw/zinc/97/79/94/822977994.db2.gz OFYXYGQQTKAAOE-YCRPNKLZSA-N 1 2 397.906 4.465 20 0 GIADLO COc1ccc([C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c2ccccc2Cl)c(C)c1 ZINC000569864427 822977995 /nfs/dbraw/zinc/97/79/95/822977995.db2.gz OFYXYGQQTKAAOE-YCRPNKLZSA-N 1 2 397.906 4.465 20 0 GIADLO C[C@H](CC(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)n1cc[nH+]c1 ZINC000569977145 822992317 /nfs/dbraw/zinc/99/23/17/822992317.db2.gz FWECUDKGTRDBEY-PXAZEXFGSA-N 1 2 394.288 4.393 20 0 GIADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1cc(F)ccc1Cl ZINC000569991702 822994138 /nfs/dbraw/zinc/99/41/38/822994138.db2.gz COIRUAHNMGNLMU-UHFFFAOYSA-N 1 2 397.841 4.368 20 0 GIADLO CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175561188 822997792 /nfs/dbraw/zinc/99/77/92/822997792.db2.gz LKHDGFJHPNRYIT-JOCHJYFZSA-N 1 2 376.504 4.094 20 0 GIADLO Clc1ccc(-c2noc(CC[N@@H+]3CCSC[C@H]3c3nccs3)n2)cc1 ZINC000187027567 823000213 /nfs/dbraw/zinc/00/02/13/823000213.db2.gz RBCQZVAUEWLCHZ-AWEZNQCLSA-N 1 2 392.937 4.179 20 0 GIADLO Clc1ccc(-c2noc(CC[N@H+]3CCSC[C@H]3c3nccs3)n2)cc1 ZINC000187027567 823000215 /nfs/dbraw/zinc/00/02/15/823000215.db2.gz RBCQZVAUEWLCHZ-AWEZNQCLSA-N 1 2 392.937 4.179 20 0 GIADLO Cc1nc(Cc2ccccc2)sc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055697002 823000341 /nfs/dbraw/zinc/00/03/41/823000341.db2.gz JETCQWCOXZGLNT-UHFFFAOYSA-N 1 2 388.496 4.158 20 0 GIADLO C[C@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000187104552 823011083 /nfs/dbraw/zinc/01/10/83/823011083.db2.gz YOAQABNZEMJMDP-UWJYYQICSA-N 1 2 376.460 4.187 20 0 GIADLO C[C@@H](c1nnc(S[C@@H]2CCO[C@H](C)C2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000570176449 823012407 /nfs/dbraw/zinc/01/24/07/823012407.db2.gz OPGBYRCPUDBUAF-ZIFCJYIRSA-N 1 2 386.565 4.474 20 0 GIADLO CCc1nc2ccccc2n1C1CCN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000570270344 823021486 /nfs/dbraw/zinc/02/14/86/823021486.db2.gz YUZNMURLTALFQR-UHFFFAOYSA-N 1 2 391.519 4.157 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC(CC(F)(F)F)CC3)cn2c1 ZINC000570312708 823024842 /nfs/dbraw/zinc/02/48/42/823024842.db2.gz VEEFBURMSROWBE-UHFFFAOYSA-N 1 2 385.455 4.067 20 0 GIADLO Cc1sc2nc([C@@H](C)[NH+]3CCC(Oc4ncccc4C)CC3)nc(N)c2c1C ZINC000570321282 823025779 /nfs/dbraw/zinc/02/57/79/823025779.db2.gz CVPLMIQMKMIZNX-CQSZACIVSA-N 1 2 397.548 4.198 20 0 GIADLO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000570349025 823027713 /nfs/dbraw/zinc/02/77/13/823027713.db2.gz HKAFSOLMLSEDSQ-KRWDZBQOSA-N 1 2 388.471 4.139 20 0 GIADLO Cc1ccc(C[S@](=O)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(C)[nH+]1 ZINC000187233369 823028391 /nfs/dbraw/zinc/02/83/91/823028391.db2.gz UXNNFMSJDLZAEY-VDBVYFBLSA-N 1 2 399.343 4.131 20 0 GIADLO Cc1ccc(C[S@@](=O)CC(=O)N(C2CCCCC2)C2CCCCC2)c(C)[nH+]1 ZINC000187233942 823028412 /nfs/dbraw/zinc/02/84/12/823028412.db2.gz FSGRVMSNPCYKRW-HHHXNRCGSA-N 1 2 390.593 4.441 20 0 GIADLO CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000187247323 823030237 /nfs/dbraw/zinc/03/02/37/823030237.db2.gz RHGXJZGETMDZBH-KBXCAEBGSA-N 1 2 376.888 4.439 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)Cc1ccccc1C ZINC000175741539 823030255 /nfs/dbraw/zinc/03/02/55/823030255.db2.gz QIEWYLWKZLJDDF-HXUWFJFHSA-N 1 2 394.563 4.269 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000187275029 823035322 /nfs/dbraw/zinc/03/53/22/823035322.db2.gz ONGYDFJDGSLACI-UHFFFAOYSA-N 1 2 377.341 4.019 20 0 GIADLO CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000175770285 823036331 /nfs/dbraw/zinc/03/63/31/823036331.db2.gz IBVNRPYKFIMRHB-KRWDZBQOSA-N 1 2 379.460 4.392 20 0 GIADLO C[C@H](OC1CCCCCC1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000570439384 823038923 /nfs/dbraw/zinc/03/89/23/823038923.db2.gz VNDJLGTVSOYYBJ-HNNXBMFYSA-N 1 2 375.900 4.270 20 0 GIADLO CCC[N@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000123893524 823549679 /nfs/dbraw/zinc/54/96/79/823549679.db2.gz KCCMEOWMBMDCOW-MRXNPFEDSA-N 1 2 395.471 4.156 20 0 GIADLO CCC[N@@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000123893524 823549680 /nfs/dbraw/zinc/54/96/80/823549680.db2.gz KCCMEOWMBMDCOW-MRXNPFEDSA-N 1 2 395.471 4.156 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(C)[nH+]1 ZINC000411125230 823550238 /nfs/dbraw/zinc/55/02/38/823550238.db2.gz IYZFLJDNVAIZGI-LLVKDONJSA-N 1 2 380.275 4.130 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000460958792 823550855 /nfs/dbraw/zinc/55/08/55/823550855.db2.gz IPFDGWIGRSAVLV-OTWHNJEPSA-N 1 2 391.918 4.198 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000460958792 823550858 /nfs/dbraw/zinc/55/08/58/823550858.db2.gz IPFDGWIGRSAVLV-OTWHNJEPSA-N 1 2 391.918 4.198 20 0 GIADLO C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccc(F)c(F)c1 ZINC000460959143 823550878 /nfs/dbraw/zinc/55/08/78/823550878.db2.gz CFGKRMJAWBACHJ-CHWSQXEVSA-N 1 2 379.476 4.395 20 0 GIADLO C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccc(F)c(F)c1 ZINC000460959143 823550882 /nfs/dbraw/zinc/55/08/82/823550882.db2.gz CFGKRMJAWBACHJ-CHWSQXEVSA-N 1 2 379.476 4.395 20 0 GIADLO O=C(CCSc1ccccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000060677074 823552067 /nfs/dbraw/zinc/55/20/67/823552067.db2.gz BYMZMZDSOOLCSE-UHFFFAOYSA-N 1 2 380.966 4.228 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c(C)[nH+]1 ZINC000411165100 823553391 /nfs/dbraw/zinc/55/33/91/823553391.db2.gz OFWPNEZKIOKFHK-CYBMUJFWSA-N 1 2 394.302 4.472 20 0 GIADLO CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411183949 823555319 /nfs/dbraw/zinc/55/53/19/823555319.db2.gz DZFZJSIDUGORCV-UHFFFAOYSA-N 1 2 375.472 4.147 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccc3ccccc3c2)C2CC2)c(C)[nH+]1 ZINC000411194449 823556209 /nfs/dbraw/zinc/55/62/09/823556209.db2.gz UQWLMIFGMWQFPW-UHFFFAOYSA-N 1 2 387.483 4.290 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)c(C)[nH+]1 ZINC000411207808 823557448 /nfs/dbraw/zinc/55/74/48/823557448.db2.gz GVGMHERATRXDPZ-NSHDSACASA-N 1 2 394.302 4.172 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000411208131 823557568 /nfs/dbraw/zinc/55/75/68/823557568.db2.gz HLYXPQIFBGWONN-HXUWFJFHSA-N 1 2 390.487 4.101 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c(C)[nH+]1 ZINC000411224573 823558638 /nfs/dbraw/zinc/55/86/38/823558638.db2.gz LGJYMRPHQCBGBT-HNNXBMFYSA-N 1 2 392.286 4.056 20 0 GIADLO C=CCOc1ccc(/C=C/C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000060868389 823563478 /nfs/dbraw/zinc/56/34/78/823563478.db2.gz GNHNOVPSCHPCST-CSKARUKUSA-N 1 2 375.428 4.098 20 0 GIADLO CCO[C@H](C)c1nc(CN2CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)cs1 ZINC000411302689 823563580 /nfs/dbraw/zinc/56/35/80/823563580.db2.gz ZGNUWMZVTYOCRA-XPGWFJOJSA-N 1 2 389.540 4.053 20 0 GIADLO C[C@@H](C[N@H+](C)Cc1nnc(C2CCC2)n1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190358412 823566136 /nfs/dbraw/zinc/56/61/36/823566136.db2.gz RXZKZJLZQCFTPD-LBPRGKRZSA-N 1 2 383.323 4.289 20 0 GIADLO C[C@@H](C[N@@H+](C)Cc1nnc(C2CCC2)n1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190358412 823566138 /nfs/dbraw/zinc/56/61/38/823566138.db2.gz RXZKZJLZQCFTPD-LBPRGKRZSA-N 1 2 383.323 4.289 20 0 GIADLO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCC[N@@H+]1CCc1cncs1 ZINC000411364513 823566692 /nfs/dbraw/zinc/56/66/92/823566692.db2.gz LRCJSVILBYSFDO-INIZCTEOSA-N 1 2 384.332 4.486 20 0 GIADLO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCC[N@H+]1CCc1cncs1 ZINC000411364513 823566694 /nfs/dbraw/zinc/56/66/94/823566694.db2.gz LRCJSVILBYSFDO-INIZCTEOSA-N 1 2 384.332 4.486 20 0 GIADLO CC[C@H](C[N@H+](C)Cc1nc([C@@H](C)OC)no1)Oc1ccc(Cl)c(Cl)c1 ZINC000190382902 823568012 /nfs/dbraw/zinc/56/80/12/823568012.db2.gz TWVZTQHSQPIEPB-VXGBXAGGSA-N 1 2 388.295 4.373 20 0 GIADLO CCCOc1ccc(NC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OCCC ZINC000411382709 823568171 /nfs/dbraw/zinc/56/81/71/823568171.db2.gz GDTBKTHPEXZJHA-UHFFFAOYSA-N 1 2 399.491 4.162 20 0 GIADLO O=C(NCc1cccs1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000060957794 823569508 /nfs/dbraw/zinc/56/95/08/823569508.db2.gz WZHWYTWGNYUGIZ-INIZCTEOSA-N 1 2 381.904 4.177 20 0 GIADLO CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)c(C)c1 ZINC000411394542 823569578 /nfs/dbraw/zinc/56/95/78/823569578.db2.gz BZEDXPACZCHZSK-CQSZACIVSA-N 1 2 382.489 4.111 20 0 GIADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CCC[C@H]1CC1CCCCC1 ZINC000060977275 823570891 /nfs/dbraw/zinc/57/08/91/823570891.db2.gz PVRKDEDQEDAGSK-QHCPKHFHSA-N 1 2 399.579 4.163 20 0 GIADLO OCC[C@@H]([NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)c1ccccc1 ZINC000411444412 823574817 /nfs/dbraw/zinc/57/48/17/823574817.db2.gz KIKCZEOVFHOSRR-LLVKDONJSA-N 1 2 392.190 4.219 20 0 GIADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000061042165 823574947 /nfs/dbraw/zinc/57/49/47/823574947.db2.gz QRTSBJDDEMXKNG-GFCCVEGCSA-N 1 2 399.329 4.301 20 0 GIADLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000061042165 823574949 /nfs/dbraw/zinc/57/49/49/823574949.db2.gz QRTSBJDDEMXKNG-GFCCVEGCSA-N 1 2 399.329 4.301 20 0 GIADLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1nccn1CC(F)(F)F ZINC000190446559 823575382 /nfs/dbraw/zinc/57/53/82/823575382.db2.gz LWTWHRHOFKFIPL-JTQLQIEISA-N 1 2 392.219 4.067 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000190454053 823576779 /nfs/dbraw/zinc/57/67/79/823576779.db2.gz CGXMKOOUPHCEIO-LEWJYISDSA-N 1 2 382.552 4.279 20 0 GIADLO CCS(=O)(=O)CCCCC[N@H+](C)[C@H](C)c1ccccc1Br ZINC000190464679 823578096 /nfs/dbraw/zinc/57/80/96/823578096.db2.gz YXZGAZHCTRWVEZ-CQSZACIVSA-N 1 2 376.360 4.047 20 0 GIADLO CCS(=O)(=O)CCCCC[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000190464679 823578098 /nfs/dbraw/zinc/57/80/98/823578098.db2.gz YXZGAZHCTRWVEZ-CQSZACIVSA-N 1 2 376.360 4.047 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)c(C)[nH+]1 ZINC000411477185 823579497 /nfs/dbraw/zinc/57/94/97/823579497.db2.gz WFVGBGSRCSWUGT-INIZCTEOSA-N 1 2 393.409 4.064 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NC(=O)CCc3ccc(C)cc3C)CCCC2)no1 ZINC000124240861 823580337 /nfs/dbraw/zinc/58/03/37/823580337.db2.gz SXUJAQQRPMNHBA-UHFFFAOYSA-N 1 2 398.551 4.047 20 0 GIADLO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)ccc1OCc1ccccc1 ZINC000190528878 823583821 /nfs/dbraw/zinc/58/38/21/823583821.db2.gz ICHCEGJSZMTGCK-CVEARBPZSA-N 1 2 393.491 4.007 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1nc(C(F)(F)F)cs1 ZINC000411521810 823584342 /nfs/dbraw/zinc/58/43/42/823584342.db2.gz ZMIBFFXGZNRBDC-IHRRRGAJSA-N 1 2 389.487 4.384 20 0 GIADLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(OC(F)(F)F)cc2)nc1C ZINC000411533374 823585487 /nfs/dbraw/zinc/58/54/87/823585487.db2.gz BJZKWZNSYMJIAE-NSHDSACASA-N 1 2 388.411 4.378 20 0 GIADLO Cc1cnn(-c2ccc([C@H](C)[NH2+][C@@H](C)c3nc(-c4cccnc4)no3)cc2F)c1 ZINC000124306716 823585861 /nfs/dbraw/zinc/58/58/61/823585861.db2.gz RFGIJRASONYPMU-GJZGRUSLSA-N 1 2 392.438 4.177 20 0 GIADLO Fc1ccc(OC2CC[NH+](Cc3coc(-c4c(F)cccc4F)n3)CC2)cn1 ZINC000190576848 823587896 /nfs/dbraw/zinc/58/78/96/823587896.db2.gz IGZKIKLNGDCJPV-UHFFFAOYSA-N 1 2 389.377 4.197 20 0 GIADLO COC(=O)C[C@](C)([NH2+]Cc1cccc(Br)c1Cl)c1ccccn1 ZINC000411560467 823588239 /nfs/dbraw/zinc/58/82/39/823588239.db2.gz KEPJYBDKADYEIC-KRWDZBQOSA-N 1 2 397.700 4.066 20 0 GIADLO c1sc(C2CC2)nc1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000124349630 823589278 /nfs/dbraw/zinc/58/92/78/823589278.db2.gz KCGKQNAEBROANE-UHFFFAOYSA-N 1 2 397.573 4.489 20 0 GIADLO CC(C)(CO)[C@@H]([NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3)c1ccccc1 ZINC000411640499 823592998 /nfs/dbraw/zinc/59/29/98/823592998.db2.gz KSEBKXJGTWDMSN-IBGZPJMESA-N 1 2 396.560 4.002 20 0 GIADLO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2C)c1C ZINC000411652503 823594514 /nfs/dbraw/zinc/59/45/14/823594514.db2.gz YZBDLALVDQAYTQ-OAHLLOKOSA-N 1 2 396.409 4.193 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3c(C)n(C)c4ccccc43)cc2)c1C ZINC000461184056 823594729 /nfs/dbraw/zinc/59/47/29/823594729.db2.gz AARVGUSPTKIWJG-UHFFFAOYSA-N 1 2 394.500 4.090 20 0 GIADLO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[C@H](C)CC)CC2)[nH]1 ZINC000190670730 823596879 /nfs/dbraw/zinc/59/68/79/823596879.db2.gz KQHIWANZALEPLC-HZPDHXFCSA-N 1 2 383.540 4.087 20 0 GIADLO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[C@H](C)CC)CC2)n1 ZINC000190670730 823596882 /nfs/dbraw/zinc/59/68/82/823596882.db2.gz KQHIWANZALEPLC-HZPDHXFCSA-N 1 2 383.540 4.087 20 0 GIADLO CCc1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[C@H](C)CC)CC2)n[nH]1 ZINC000190670730 823596887 /nfs/dbraw/zinc/59/68/87/823596887.db2.gz KQHIWANZALEPLC-HZPDHXFCSA-N 1 2 383.540 4.087 20 0 GIADLO OC[C@@H]1C[N@H+](Cc2cccc(Br)c2Cl)CC[C@H]1C(F)(F)F ZINC000411717594 823599550 /nfs/dbraw/zinc/59/95/50/823599550.db2.gz IXAMTKOZEDQXTE-WDEREUQCSA-N 1 2 386.639 4.095 20 0 GIADLO OC[C@@H]1C[N@@H+](Cc2cccc(Br)c2Cl)CC[C@H]1C(F)(F)F ZINC000411717594 823599553 /nfs/dbraw/zinc/59/95/53/823599553.db2.gz IXAMTKOZEDQXTE-WDEREUQCSA-N 1 2 386.639 4.095 20 0 GIADLO O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000461229822 823601611 /nfs/dbraw/zinc/60/16/11/823601611.db2.gz APCQOMHBEJPLQE-UHFFFAOYSA-N 1 2 397.360 4.329 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2c(F)c(F)c(Br)c(F)c2F)ccn1 ZINC000411747800 823602269 /nfs/dbraw/zinc/60/22/69/823602269.db2.gz YQOMCRLXJUBBGF-ZETCQYMHSA-N 1 2 393.178 4.260 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)CCc2nc(-c3cccc(Cl)c3)no2)c1C ZINC000411802124 823606267 /nfs/dbraw/zinc/60/62/67/823606267.db2.gz WXKPZHWBIOJCSZ-UHFFFAOYSA-N 1 2 386.883 4.085 20 0 GIADLO CCc1cccc(Oc2ccc(NC(=O)NCCNc3cccc[nH+]3)cn2)c1 ZINC000061647176 823607419 /nfs/dbraw/zinc/60/74/19/823607419.db2.gz DBBCZURGTZQHMO-UHFFFAOYSA-N 1 2 377.448 4.065 20 0 GIADLO O=C(NCc1ccco1)c1cccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000124612020 823610898 /nfs/dbraw/zinc/61/08/98/823610898.db2.gz LOQPXGGOBBFREX-XMMPIXPASA-N 1 2 397.478 4.484 20 0 GIADLO COc1ccc(Cl)cc1-c1n[nH]c(SCCCCn2cc[nH+]c2C)n1 ZINC000124621427 823611830 /nfs/dbraw/zinc/61/18/30/823611830.db2.gz SYZAAIGYNYSZGN-UHFFFAOYSA-N 1 2 377.901 4.211 20 0 GIADLO C[C@@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)s1)c1ccccc1 ZINC000061800789 823615470 /nfs/dbraw/zinc/61/54/70/823615470.db2.gz GRKZFJIVPLGDKX-KBPBESRZSA-N 1 2 395.366 4.251 20 0 GIADLO C[C@@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)s1)c1ccccc1 ZINC000061800789 823615471 /nfs/dbraw/zinc/61/54/71/823615471.db2.gz GRKZFJIVPLGDKX-KBPBESRZSA-N 1 2 395.366 4.251 20 0 GIADLO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000411955232 823616360 /nfs/dbraw/zinc/61/63/60/823616360.db2.gz VKBYGIRQEWGOKV-AZUAARDMSA-N 1 2 384.476 4.169 20 0 GIADLO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000411955232 823616362 /nfs/dbraw/zinc/61/63/62/823616362.db2.gz VKBYGIRQEWGOKV-AZUAARDMSA-N 1 2 384.476 4.169 20 0 GIADLO CCN(C)c1ccc(C[NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)cn1 ZINC000190921379 823624731 /nfs/dbraw/zinc/62/47/31/823624731.db2.gz NHHBWHAJMFFUTA-QHCPKHFHSA-N 1 2 385.515 4.304 20 0 GIADLO Cc1ccc(OCc2nc(C[N@@H+]3CCC[C@H](N4CCCC4=O)CC3)cs2)cc1 ZINC000412057351 823624793 /nfs/dbraw/zinc/62/47/93/823624793.db2.gz QVYCKHLHPNRHNR-IBGZPJMESA-N 1 2 399.560 4.007 20 0 GIADLO Cc1ccc(OCc2nc(C[N@H+]3CCC[C@H](N4CCCC4=O)CC3)cs2)cc1 ZINC000412057351 823624795 /nfs/dbraw/zinc/62/47/95/823624795.db2.gz QVYCKHLHPNRHNR-IBGZPJMESA-N 1 2 399.560 4.007 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412066605 823625479 /nfs/dbraw/zinc/62/54/79/823625479.db2.gz LRSDXMVZMSNZGP-INIZCTEOSA-N 1 2 394.943 4.421 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412066605 823625481 /nfs/dbraw/zinc/62/54/81/823625481.db2.gz LRSDXMVZMSNZGP-INIZCTEOSA-N 1 2 394.943 4.421 20 0 GIADLO Cc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)c(OCC2CC2)c1 ZINC000124803853 823627574 /nfs/dbraw/zinc/62/75/74/823627574.db2.gz MYXVXIVNUAEOAC-QFIPXVFZSA-N 1 2 382.479 4.032 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190963116 823631298 /nfs/dbraw/zinc/63/12/98/823631298.db2.gz STEVRXJRZWKJQM-CQSZACIVSA-N 1 2 384.442 4.456 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190963116 823631299 /nfs/dbraw/zinc/63/12/99/823631299.db2.gz STEVRXJRZWKJQM-CQSZACIVSA-N 1 2 384.442 4.456 20 0 GIADLO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000412190988 823634208 /nfs/dbraw/zinc/63/42/08/823634208.db2.gz XSFWPEDFMKGFSP-HDMKZQKVSA-N 1 2 395.425 4.070 20 0 GIADLO CC(C)(C)n1cc(C[NH2+][C@H](c2ccccc2)c2ccc3c(c2)CCCO3)nn1 ZINC000190983034 823634240 /nfs/dbraw/zinc/63/42/40/823634240.db2.gz VFPCGMWNUVFOOO-JOCHJYFZSA-N 1 2 376.504 4.237 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC(F)F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000412254069 823640047 /nfs/dbraw/zinc/64/00/47/823640047.db2.gz XUZMNGZFLHMEGY-CJNGLKHVSA-N 1 2 378.385 4.037 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC(F)F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000412254069 823640051 /nfs/dbraw/zinc/64/00/51/823640051.db2.gz XUZMNGZFLHMEGY-CJNGLKHVSA-N 1 2 378.385 4.037 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1C ZINC000124969618 823641560 /nfs/dbraw/zinc/64/15/60/823641560.db2.gz NLFBBSZPQGYSRG-UHFFFAOYSA-N 1 2 377.488 4.378 20 0 GIADLO Cc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)c(OCC(F)(F)F)c1 ZINC000125009404 823644646 /nfs/dbraw/zinc/64/46/46/823644646.db2.gz FFCOLSAVDFUPTP-IBGZPJMESA-N 1 2 392.421 4.046 20 0 GIADLO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000125045543 823647810 /nfs/dbraw/zinc/64/78/10/823647810.db2.gz TWFUSGFBPAMAKW-MRXNPFEDSA-N 1 2 398.532 4.015 20 0 GIADLO CCCn1c(C)c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2cc(OC)ccc21 ZINC000125220376 823660068 /nfs/dbraw/zinc/66/00/68/823660068.db2.gz KVTPULRFMMRLPI-HRAATJIYSA-N 1 2 394.519 4.288 20 0 GIADLO C=CC[N@@H+](CC(=O)Nc1ccc(SC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063300918 823661121 /nfs/dbraw/zinc/66/11/21/823661121.db2.gz BUEXDGPUVGQNAF-UHFFFAOYSA-N 1 2 387.455 4.500 20 0 GIADLO C=CC[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063300918 823661122 /nfs/dbraw/zinc/66/11/22/823661122.db2.gz BUEXDGPUVGQNAF-UHFFFAOYSA-N 1 2 387.455 4.500 20 0 GIADLO Cc1cccc(C(C)(C)CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000063335842 823663915 /nfs/dbraw/zinc/66/39/15/823663915.db2.gz HVWTWIGWBZDZJL-UHFFFAOYSA-N 1 2 376.504 4.017 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000125276657 823664242 /nfs/dbraw/zinc/66/42/42/823664242.db2.gz MOEQBHNWUKJEDB-PGRDOPGGSA-N 1 2 375.472 4.185 20 0 GIADLO O=C(NCC1(c2c(F)cccc2F)CCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000412599903 823665332 /nfs/dbraw/zinc/66/53/32/823665332.db2.gz JQZCUSRWJQFEIY-UHFFFAOYSA-N 1 2 381.426 4.061 20 0 GIADLO Cc1ccc(-n2cccn2)cc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000191272844 823666115 /nfs/dbraw/zinc/66/61/15/823666115.db2.gz ZIHZCVRNHFCHKO-QGZVFWFLSA-N 1 2 395.532 4.153 20 0 GIADLO Cc1ccccc1-n1ncc(C(=O)NCCCCNc2cccc[nH+]2)c1C(C)C ZINC000191278324 823666590 /nfs/dbraw/zinc/66/65/90/823666590.db2.gz KGIGGWKFXVVTBZ-UHFFFAOYSA-N 1 2 391.519 4.321 20 0 GIADLO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125309544 823666896 /nfs/dbraw/zinc/66/68/96/823666896.db2.gz MVRLCXYQZOZROB-KRWDZBQOSA-N 1 2 396.922 4.357 20 0 GIADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191306691 823669551 /nfs/dbraw/zinc/66/95/51/823669551.db2.gz KRHRLYQRNWBDCR-SNVBAGLBSA-N 1 2 392.397 4.108 20 0 GIADLO C[C@H](c1cc(F)ccc1F)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191306691 823669553 /nfs/dbraw/zinc/66/95/53/823669553.db2.gz KRHRLYQRNWBDCR-SNVBAGLBSA-N 1 2 392.397 4.108 20 0 GIADLO O=C1c2cccc3cccc(c23)N1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125360538 823670483 /nfs/dbraw/zinc/67/04/83/823670483.db2.gz KGUGMKSHZZERRJ-UHFFFAOYSA-N 1 2 386.495 4.481 20 0 GIADLO O[C@@H](COc1cccc(C(F)(F)F)c1)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000063483214 823675467 /nfs/dbraw/zinc/67/54/67/823675467.db2.gz CUACLYVBWQTTST-MRXNPFEDSA-N 1 2 395.377 4.334 20 0 GIADLO COC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@@H]1c1ccc(C)c(C)c1)[nH]c2=O ZINC000063619295 823683559 /nfs/dbraw/zinc/68/35/59/823683559.db2.gz MOBCIWFBPIQDIR-HXUWFJFHSA-N 1 2 391.471 4.076 20 0 GIADLO COC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@@H]1c1ccc(C)c(C)c1)[nH]c2=O ZINC000063619295 823683562 /nfs/dbraw/zinc/68/35/62/823683562.db2.gz MOBCIWFBPIQDIR-HXUWFJFHSA-N 1 2 391.471 4.076 20 0 GIADLO Cc1cccc([C@@H](O)C[N@H+](Cc2cn(C(C)(C)C)nn2)Cc2ccccc2)c1 ZINC000191432465 823684554 /nfs/dbraw/zinc/68/45/54/823684554.db2.gz CSGXZDPLBYISQC-QFIPXVFZSA-N 1 2 378.520 4.077 20 0 GIADLO Cc1cccc([C@@H](O)C[N@@H+](Cc2cn(C(C)(C)C)nn2)Cc2ccccc2)c1 ZINC000191432465 823684555 /nfs/dbraw/zinc/68/45/55/823684555.db2.gz CSGXZDPLBYISQC-QFIPXVFZSA-N 1 2 378.520 4.077 20 0 GIADLO CC(C)n1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC000191451162 823686679 /nfs/dbraw/zinc/68/66/79/823686679.db2.gz FCMQLJAKFJDSCE-UHFFFAOYSA-N 1 2 395.334 4.165 20 0 GIADLO CCO[C@H](C)c1noc(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000191466949 823688166 /nfs/dbraw/zinc/68/81/66/823688166.db2.gz QSGIRGJDXFUBRK-CYBMUJFWSA-N 1 2 394.313 4.342 20 0 GIADLO CCO[C@H](C)c1noc(C[N@H+](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000191466949 823688171 /nfs/dbraw/zinc/68/81/71/823688171.db2.gz QSGIRGJDXFUBRK-CYBMUJFWSA-N 1 2 394.313 4.342 20 0 GIADLO C[N@H+](Cc1ncc(-c2ccccc2)o1)[C@@H](CO)c1cccc(Br)c1 ZINC000125615977 823690306 /nfs/dbraw/zinc/69/03/06/823690306.db2.gz DRTHCCKEEKGKBU-KRWDZBQOSA-N 1 2 387.277 4.270 20 0 GIADLO C[N@@H+](Cc1ncc(-c2ccccc2)o1)[C@@H](CO)c1cccc(Br)c1 ZINC000125615977 823690308 /nfs/dbraw/zinc/69/03/08/823690308.db2.gz DRTHCCKEEKGKBU-KRWDZBQOSA-N 1 2 387.277 4.270 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000461745564 823690916 /nfs/dbraw/zinc/69/09/16/823690916.db2.gz BFZLIXZNFPYRGK-GFCCVEGCSA-N 1 2 387.427 4.020 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1csc(-c2ccccc2F)n1 ZINC000063767546 823694343 /nfs/dbraw/zinc/69/43/43/823694343.db2.gz DBCXXSFBPDMLIO-UHFFFAOYSA-N 1 2 396.491 4.265 20 0 GIADLO CCc1nnc(CN2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1 ZINC000125670824 823695293 /nfs/dbraw/zinc/69/52/93/823695293.db2.gz KXYOWIYEPBCNIC-JOCHJYFZSA-N 1 2 396.922 4.193 20 0 GIADLO CCOC1CC(Sc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)C1 ZINC000412977662 823696170 /nfs/dbraw/zinc/69/61/70/823696170.db2.gz LNKCWZDBCUXWNT-UHFFFAOYSA-N 1 2 392.956 4.176 20 0 GIADLO CCCCN(Cc1ccccc1F)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000063788792 823696204 /nfs/dbraw/zinc/69/62/04/823696204.db2.gz HFZKUTQKKXSQRV-UHFFFAOYSA-N 1 2 384.499 4.201 20 0 GIADLO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccccc1F)c1nc(-c2cccc(F)c2)no1 ZINC000191531668 823696367 /nfs/dbraw/zinc/69/63/67/823696367.db2.gz PTLJPTXYUMGSSU-GFCCVEGCSA-N 1 2 381.386 4.256 20 0 GIADLO C[C@H](c1nnc(SC[C@@H]2CCC(C)(C)O2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000412980439 823696548 /nfs/dbraw/zinc/69/65/48/823696548.db2.gz DYFUOUNOJJBCPN-CJNGLKHVSA-N 1 2 378.517 4.079 20 0 GIADLO CCOC1CC(Sc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)C1 ZINC000412981765 823696932 /nfs/dbraw/zinc/69/69/32/823696932.db2.gz GUOFQPMXLWGTLL-IVMQYODDSA-N 1 2 386.565 4.474 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000461800974 823697334 /nfs/dbraw/zinc/69/73/34/823697334.db2.gz VQPRUSLHMMNTNM-UHFFFAOYSA-N 1 2 390.456 4.165 20 0 GIADLO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1Cl ZINC000191568029 823701345 /nfs/dbraw/zinc/70/13/45/823701345.db2.gz CKEVFYIGZVIAPO-QWHCGFSZSA-N 1 2 378.904 4.397 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ncccc1OCc1cccc(Cl)c1 ZINC000163359506 823703824 /nfs/dbraw/zinc/70/38/24/823703824.db2.gz SWVRSEKVCZGDRV-UHFFFAOYSA-N 1 2 399.882 4.065 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)c2cn(C(C)C)nc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574337924 823704549 /nfs/dbraw/zinc/70/45/49/823704549.db2.gz NCMUFDOUCPBTRX-OALUTQOASA-N 1 2 392.906 4.130 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)c2cn(C(C)C)nc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574337924 823704551 /nfs/dbraw/zinc/70/45/51/823704551.db2.gz NCMUFDOUCPBTRX-OALUTQOASA-N 1 2 392.906 4.130 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)c2cn(C(C)C)nc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574337920 823704596 /nfs/dbraw/zinc/70/45/96/823704596.db2.gz NCMUFDOUCPBTRX-MOPGFXCFSA-N 1 2 392.906 4.130 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)c2cn(C(C)C)nc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574337920 823704599 /nfs/dbraw/zinc/70/45/99/823704599.db2.gz NCMUFDOUCPBTRX-MOPGFXCFSA-N 1 2 392.906 4.130 20 0 GIADLO CS[C@@H](C)CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000163373929 823704745 /nfs/dbraw/zinc/70/47/45/823704745.db2.gz PJEHFUGERGUXKI-KRWDZBQOSA-N 1 2 379.529 4.356 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(OC4CCCCC4)cc3)[nH+]cn2)C1 ZINC000413097214 823706437 /nfs/dbraw/zinc/70/64/37/823706437.db2.gz BFUAQDGAQIWNFH-HKUYNNGSSA-N 1 2 396.535 4.007 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(OC4CCCCC4)cc3)nc[nH+]2)C1 ZINC000413097214 823706443 /nfs/dbraw/zinc/70/64/43/823706443.db2.gz BFUAQDGAQIWNFH-HKUYNNGSSA-N 1 2 396.535 4.007 20 0 GIADLO CC[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)ccc1F ZINC000125776183 823707966 /nfs/dbraw/zinc/70/79/66/823707966.db2.gz GEYXKEXPMRWGLF-HXUWFJFHSA-N 1 2 384.430 4.160 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413123847 823710782 /nfs/dbraw/zinc/71/07/82/823710782.db2.gz NKQWSHLDPSHVCM-NEPJUHHUSA-N 1 2 387.484 4.013 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413123847 823710787 /nfs/dbraw/zinc/71/07/87/823710787.db2.gz NKQWSHLDPSHVCM-NEPJUHHUSA-N 1 2 387.484 4.013 20 0 GIADLO O=C(C[N@H+]1CC[C@@H](O)CC12CCC2)Nc1ccccc1Sc1ccccc1 ZINC000574390392 823717817 /nfs/dbraw/zinc/71/78/17/823717817.db2.gz PFRXDIZYSDCFTI-QGZVFWFLSA-N 1 2 382.529 4.156 20 0 GIADLO O=C(C[N@@H+]1CC[C@@H](O)CC12CCC2)Nc1ccccc1Sc1ccccc1 ZINC000574390392 823717823 /nfs/dbraw/zinc/71/78/23/823717823.db2.gz PFRXDIZYSDCFTI-QGZVFWFLSA-N 1 2 382.529 4.156 20 0 GIADLO COc1ccccc1-c1ccc([C@@H](C)Nc2cc(NC[C@@H](C)O)[nH+]cn2)cc1 ZINC000413174144 823721043 /nfs/dbraw/zinc/72/10/43/823721043.db2.gz PUSSPXQNWFISKE-HZPDHXFCSA-N 1 2 378.476 4.118 20 0 GIADLO COc1ccccc1-c1ccc([C@@H](C)Nc2cc(NC[C@@H](C)O)nc[nH+]2)cc1 ZINC000413174144 823721050 /nfs/dbraw/zinc/72/10/50/823721050.db2.gz PUSSPXQNWFISKE-HZPDHXFCSA-N 1 2 378.476 4.118 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N[C@H]2CCOC3(CCSCC3)C2)c1 ZINC000413204396 823727313 /nfs/dbraw/zinc/72/73/13/823727313.db2.gz OLWNQSUZYNWJSE-HNNXBMFYSA-N 1 2 393.350 4.276 20 0 GIADLO COc1cccc(Nc2nn(C[N@@H+]3CCS[C@@H](C)CC3)c(=S)s2)c1 ZINC000191667363 823728161 /nfs/dbraw/zinc/72/81/61/823728161.db2.gz HHAYVSIOFSNBKF-LBPRGKRZSA-N 1 2 382.580 4.211 20 0 GIADLO COc1cccc(Nc2nn(C[N@H+]3CCS[C@@H](C)CC3)c(=S)s2)c1 ZINC000191667363 823728168 /nfs/dbraw/zinc/72/81/68/823728168.db2.gz HHAYVSIOFSNBKF-LBPRGKRZSA-N 1 2 382.580 4.211 20 0 GIADLO O=C(NC1CC[NH+](Cc2csc(C3CCCC3)n2)CC1)C1CCCCC1 ZINC000063995161 823731130 /nfs/dbraw/zinc/73/11/30/823731130.db2.gz QHDMEMDFBPAHBR-UHFFFAOYSA-N 1 2 375.582 4.462 20 0 GIADLO Cc1ncc(CN2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)cn1 ZINC000574468748 823738094 /nfs/dbraw/zinc/73/80/94/823738094.db2.gz URIAKJKGGIWNPF-HSZRJFAPSA-N 1 2 392.934 4.346 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC000574478857 823741096 /nfs/dbraw/zinc/74/10/96/823741096.db2.gz ZQSYXDIFRYHNGM-GOSISDBHSA-N 1 2 375.444 4.294 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)Nc1cccc(Cl)c1Br ZINC000191710190 823743903 /nfs/dbraw/zinc/74/39/03/823743903.db2.gz OMSDOJFPKUEZGN-UHFFFAOYSA-N 1 2 383.677 4.121 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(-c4ccccc4)cc3F)[nH+]cn2)C1 ZINC000413301140 823748282 /nfs/dbraw/zinc/74/82/82/823748282.db2.gz KMTVTIJVEFMLSH-OXJNMPFZSA-N 1 2 392.478 4.102 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(-c4ccccc4)cc3F)nc[nH+]2)C1 ZINC000413301140 823748294 /nfs/dbraw/zinc/74/82/94/823748294.db2.gz KMTVTIJVEFMLSH-OXJNMPFZSA-N 1 2 392.478 4.102 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2Br)C[C@@H]1n1cc[nH+]c1 ZINC000191727605 823748597 /nfs/dbraw/zinc/74/85/97/823748597.db2.gz JRLZSKLKGKKQTG-RISCZKNCSA-N 1 2 397.704 4.414 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N[C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000413309056 823750018 /nfs/dbraw/zinc/75/00/18/823750018.db2.gz ASSUYRKQXXSAJM-SJLPKXTDSA-N 1 2 384.277 4.146 20 0 GIADLO COc1c(C)c[nH+]c(CN[C@@H](c2nc3ccccc3n2C)c2ccccc2)c1C ZINC000125948115 823750745 /nfs/dbraw/zinc/75/07/45/823750745.db2.gz VMGFNEUWGQYUKW-JOCHJYFZSA-N 1 2 386.499 4.473 20 0 GIADLO c1cn(-c2ccc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)cc2)c[nH+]1 ZINC000191733424 823751162 /nfs/dbraw/zinc/75/11/62/823751162.db2.gz LASFMHIKGLYZQJ-SFHVURJKSA-N 1 2 392.440 4.060 20 0 GIADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000574559518 823766458 /nfs/dbraw/zinc/76/64/58/823766458.db2.gz XYUQTLVHGOOPMZ-OAHLLOKOSA-N 1 2 377.370 4.124 20 0 GIADLO Cc1noc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000574559518 823766465 /nfs/dbraw/zinc/76/64/65/823766465.db2.gz XYUQTLVHGOOPMZ-OAHLLOKOSA-N 1 2 377.370 4.124 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)c1C ZINC000126017955 823767188 /nfs/dbraw/zinc/76/71/88/823767188.db2.gz FCSCYZGLPPOOSK-GJZGRUSLSA-N 1 2 394.393 4.026 20 0 GIADLO COC(=O)c1cccc(C[NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)c1 ZINC000126016921 823767454 /nfs/dbraw/zinc/76/74/54/823767454.db2.gz UNKHXUSJSRZAFX-JOCHJYFZSA-N 1 2 385.467 4.239 20 0 GIADLO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000126058674 823777502 /nfs/dbraw/zinc/77/75/02/823777502.db2.gz WRWKBCSISAIEEI-UHFFFAOYSA-N 1 2 380.385 4.193 20 0 GIADLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000126058674 823777506 /nfs/dbraw/zinc/77/75/06/823777506.db2.gz WRWKBCSISAIEEI-UHFFFAOYSA-N 1 2 380.385 4.193 20 0 GIADLO c1nc(N2CCSC3(CCC3)CC2)cc(N2CCSC3(CCC3)CC2)[nH+]1 ZINC000413480770 823785295 /nfs/dbraw/zinc/78/52/95/823785295.db2.gz KXEOLRWOFNKCPZ-UHFFFAOYSA-N 1 2 390.622 4.209 20 0 GIADLO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2Cl)c1)c1nnnn1C1CC1 ZINC000191833173 823790153 /nfs/dbraw/zinc/79/01/53/823790153.db2.gz IVPXODXLOXFLLO-CQSZACIVSA-N 1 2 383.883 4.091 20 0 GIADLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ncc(-c2ccccc2)o1 ZINC000574658407 823792922 /nfs/dbraw/zinc/79/29/22/823792922.db2.gz WURZYWWKEFYRTP-NVMYHKGLSA-N 1 2 397.425 4.242 20 0 GIADLO C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000164295451 823793596 /nfs/dbraw/zinc/79/35/96/823793596.db2.gz DRRUJBKBPCQSPB-FQEVSTJZSA-N 1 2 385.515 4.221 20 0 GIADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000574668814 823795231 /nfs/dbraw/zinc/79/52/31/823795231.db2.gz GSYGTZXJHZCASP-QWHCGFSZSA-N 1 2 381.549 4.207 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000191850305 823795619 /nfs/dbraw/zinc/79/56/19/823795619.db2.gz PVDZRWIGLJWGRB-UHFFFAOYSA-N 1 2 377.920 4.109 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(-n2nc(C)cc2C)c1 ZINC000191851219 823796340 /nfs/dbraw/zinc/79/63/40/823796340.db2.gz PRKOWNPMALIFAD-UHFFFAOYSA-N 1 2 394.523 4.192 20 0 GIADLO Cc1nc(CC(C)C)sc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126135474 823796661 /nfs/dbraw/zinc/79/66/61/823796661.db2.gz OAAANMJJFBBMGE-UHFFFAOYSA-N 1 2 387.549 4.043 20 0 GIADLO CC[C@@H](Sc1ccccc1)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126171555 823805235 /nfs/dbraw/zinc/80/52/35/823805235.db2.gz HSMYGTMZGBRFDO-OAQYLSRUSA-N 1 2 384.545 4.337 20 0 GIADLO CC[C@@]1(CO)CCC[N@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000574724310 823810039 /nfs/dbraw/zinc/81/00/39/823810039.db2.gz DTQBNQHSNNXFKS-OAHLLOKOSA-N 1 2 391.147 4.196 20 0 GIADLO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000574724310 823810044 /nfs/dbraw/zinc/81/00/44/823810044.db2.gz DTQBNQHSNNXFKS-OAHLLOKOSA-N 1 2 391.147 4.196 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000064400307 823811999 /nfs/dbraw/zinc/81/19/99/823811999.db2.gz ZPXGDASCQUSGDN-QFIPXVFZSA-N 1 2 396.531 4.186 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000064400307 823812004 /nfs/dbraw/zinc/81/20/04/823812004.db2.gz ZPXGDASCQUSGDN-QFIPXVFZSA-N 1 2 396.531 4.186 20 0 GIADLO C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164674331 823815671 /nfs/dbraw/zinc/81/56/71/823815671.db2.gz BBSAZTTWLHTHTI-HZPDHXFCSA-N 1 2 395.532 4.063 20 0 GIADLO CCOC(=O)C1CC[NH+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000164714041 823816802 /nfs/dbraw/zinc/81/68/02/823816802.db2.gz KXLIJMWBEPYSDM-UHFFFAOYSA-N 1 2 382.382 4.136 20 0 GIADLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000462064661 823818314 /nfs/dbraw/zinc/81/83/14/823818314.db2.gz DAWSZUFDHQOPBA-ZDUSSCGKSA-N 1 2 388.316 4.262 20 0 GIADLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000462064661 823818318 /nfs/dbraw/zinc/81/83/18/823818318.db2.gz DAWSZUFDHQOPBA-ZDUSSCGKSA-N 1 2 388.316 4.262 20 0 GIADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000064440524 823819585 /nfs/dbraw/zinc/81/95/85/823819585.db2.gz AQVUALHWQPZSOP-FQEVSTJZSA-N 1 2 383.467 4.446 20 0 GIADLO COCCC[N@H+](C)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 ZINC000164998118 823829177 /nfs/dbraw/zinc/82/91/77/823829177.db2.gz PJUINBHFZZBYDH-UHFFFAOYSA-N 1 2 375.538 4.221 20 0 GIADLO COCCC[N@@H+](C)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 ZINC000164998118 823829185 /nfs/dbraw/zinc/82/91/85/823829185.db2.gz PJUINBHFZZBYDH-UHFFFAOYSA-N 1 2 375.538 4.221 20 0 GIADLO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000574797698 823829903 /nfs/dbraw/zinc/82/99/03/823829903.db2.gz IBNKYGQWHULGQG-LSDHHAIUSA-N 1 2 394.462 4.422 20 0 GIADLO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000574797698 823829907 /nfs/dbraw/zinc/82/99/07/823829907.db2.gz IBNKYGQWHULGQG-LSDHHAIUSA-N 1 2 394.462 4.422 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3ncc(C(C)C)s3)CC2)n1 ZINC000192036736 823840069 /nfs/dbraw/zinc/84/00/69/823840069.db2.gz RQUYKFDGMPQWFG-UHFFFAOYSA-N 1 2 379.551 4.279 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)o1 ZINC000192043886 823842397 /nfs/dbraw/zinc/84/23/97/823842397.db2.gz YWRWRCLFXVJQSK-WIYYLYMNSA-N 1 2 383.879 4.242 20 0 GIADLO CC(C)NC(=O)C[N@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000064632460 823855636 /nfs/dbraw/zinc/85/56/36/823855636.db2.gz OBXSLBBPPNLESM-UHFFFAOYSA-N 1 2 380.410 4.454 20 0 GIADLO CC(C)NC(=O)C[N@@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000064632460 823855649 /nfs/dbraw/zinc/85/56/49/823855649.db2.gz OBXSLBBPPNLESM-UHFFFAOYSA-N 1 2 380.410 4.454 20 0 GIADLO CCCNC(=O)C[N@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000064632479 823855796 /nfs/dbraw/zinc/85/57/96/823855796.db2.gz UWHRRBRPZUFZPT-UHFFFAOYSA-N 1 2 380.410 4.456 20 0 GIADLO CCCNC(=O)C[N@@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000064632479 823855799 /nfs/dbraw/zinc/85/57/99/823855799.db2.gz UWHRRBRPZUFZPT-UHFFFAOYSA-N 1 2 380.410 4.456 20 0 GIADLO Cc1cc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cnc1Cl ZINC000126399480 823857181 /nfs/dbraw/zinc/85/71/81/823857181.db2.gz WRTXFAWHVNMBPY-QZTJIDSGSA-N 1 2 381.867 4.290 20 0 GIADLO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000462194499 823863526 /nfs/dbraw/zinc/86/35/26/823863526.db2.gz IHZMWVVSZBEVSH-LZQZEXGQSA-N 1 2 375.900 4.050 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000165895245 823865421 /nfs/dbraw/zinc/86/54/21/823865421.db2.gz SBLCSFXYPLRKFE-ZFWWWQNUSA-N 1 2 383.254 4.094 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000165895245 823865423 /nfs/dbraw/zinc/86/54/23/823865423.db2.gz SBLCSFXYPLRKFE-ZFWWWQNUSA-N 1 2 383.254 4.094 20 0 GIADLO FC(F)(F)c1ccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000574943635 823867065 /nfs/dbraw/zinc/86/70/65/823867065.db2.gz DHXDQQREFVXEGE-PKOBYXMFSA-N 1 2 381.394 4.345 20 0 GIADLO FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@H]3CCCO3)o2)cc1 ZINC000574943635 823867068 /nfs/dbraw/zinc/86/70/68/823867068.db2.gz DHXDQQREFVXEGE-PKOBYXMFSA-N 1 2 381.394 4.345 20 0 GIADLO Cc1ccc(C[C@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)s1 ZINC000462204956 823869818 /nfs/dbraw/zinc/86/98/18/823869818.db2.gz BRCGKSNXMWYWRS-GOEBONIOSA-N 1 2 377.579 4.137 20 0 GIADLO CCOC[C@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)C1 ZINC000166253136 823873484 /nfs/dbraw/zinc/87/34/84/823873484.db2.gz LLUUXLXLWXRFIB-HNNXBMFYSA-N 1 2 393.940 4.340 20 0 GIADLO CCOC[C@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)C1 ZINC000166253136 823873488 /nfs/dbraw/zinc/87/34/88/823873488.db2.gz LLUUXLXLWXRFIB-HNNXBMFYSA-N 1 2 393.940 4.340 20 0 GIADLO Cn1ccnc1[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC000574964186 823874344 /nfs/dbraw/zinc/87/43/44/823874344.db2.gz APQWEQQUXFJEDY-CQSZACIVSA-N 1 2 388.231 4.442 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c[nH+]1 ZINC000574967118 823875557 /nfs/dbraw/zinc/87/55/57/823875557.db2.gz DLPZGSTXXFRENM-INIZCTEOSA-N 1 2 380.517 4.397 20 0 GIADLO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H]2CSC)cs1 ZINC000166715471 823882007 /nfs/dbraw/zinc/88/20/07/823882007.db2.gz LKWIZPUXWUAJFM-MRXNPFEDSA-N 1 2 391.562 4.164 20 0 GIADLO COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCC[C@@H]2CSC)cs1 ZINC000166715471 823882011 /nfs/dbraw/zinc/88/20/11/823882011.db2.gz LKWIZPUXWUAJFM-MRXNPFEDSA-N 1 2 391.562 4.164 20 0 GIADLO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc(-c2ccncc2)c(F)c1 ZINC000574997824 823883336 /nfs/dbraw/zinc/88/33/36/823883336.db2.gz SYADRTKEZLXQQH-WGSAOQKQSA-N 1 2 390.462 4.436 20 0 GIADLO COc1ccc(CC[N@H+](Cc2csc(NC(C)=O)n2)Cc2ccccc2)cc1 ZINC000064807339 823889364 /nfs/dbraw/zinc/88/93/64/823889364.db2.gz HMMCWMDPAFXHGX-UHFFFAOYSA-N 1 2 395.528 4.355 20 0 GIADLO COc1ccc(CC[N@@H+](Cc2csc(NC(C)=O)n2)Cc2ccccc2)cc1 ZINC000064807339 823889369 /nfs/dbraw/zinc/88/93/69/823889369.db2.gz HMMCWMDPAFXHGX-UHFFFAOYSA-N 1 2 395.528 4.355 20 0 GIADLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1OCC ZINC000414056856 823896818 /nfs/dbraw/zinc/89/68/18/823896818.db2.gz DYMGZHOQOBQYPE-CHWSQXEVSA-N 1 2 378.494 4.139 20 0 GIADLO COc1ccc([C@H](C)[NH2+][C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c(C)c1 ZINC000414059475 823898093 /nfs/dbraw/zinc/89/80/93/823898093.db2.gz IRCPSSMTVCWSDE-AOMKIAJQSA-N 1 2 395.503 4.195 20 0 GIADLO COC[C@H]([NH2+][C@@H]1CCCn2nc(C(C)C)nc21)c1cccc(C(F)(F)F)c1 ZINC000167992571 823899043 /nfs/dbraw/zinc/89/90/43/823899043.db2.gz POHHVTHKVVLMEG-CVEARBPZSA-N 1 2 382.430 4.233 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000168840571 823906717 /nfs/dbraw/zinc/90/67/17/823906717.db2.gz ZFTYAXJKZWSYLS-GFCCVEGCSA-N 1 2 384.377 4.065 20 0 GIADLO COC(=O)c1cnc([C@H](C)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)s1 ZINC000414106807 823911313 /nfs/dbraw/zinc/91/13/13/823911313.db2.gz JAECXBRWHPIWHK-ZDUSSCGKSA-N 1 2 382.489 4.303 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000192251379 823916990 /nfs/dbraw/zinc/91/69/90/823916990.db2.gz IXVWTSXCNGCWRJ-UHFFFAOYSA-N 1 2 399.926 4.145 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC000414137569 823917434 /nfs/dbraw/zinc/91/74/34/823917434.db2.gz JRTROXMNUCZSKR-SNVBAGLBSA-N 1 2 386.395 4.168 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Oc2ccccc2)ccn1 ZINC000192252521 823917864 /nfs/dbraw/zinc/91/78/64/823917864.db2.gz DLXPZDFYSMWFQN-UHFFFAOYSA-N 1 2 378.476 4.185 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCc3c2ccc(F)c3Br)s1 ZINC000414145946 823918170 /nfs/dbraw/zinc/91/81/70/823918170.db2.gz KWJPVUNZZSITQT-PRHODGIISA-N 1 2 399.285 4.169 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccnc1Nc1ccccc1F ZINC000192255468 823918545 /nfs/dbraw/zinc/91/85/45/823918545.db2.gz ZSPVHZWJAMBMSN-UHFFFAOYSA-N 1 2 395.482 4.276 20 0 GIADLO C[C@@H]([NH2+]Cc1cc(Br)ccc1Br)c1cc2n(n1)CCC2 ZINC000414149754 823918775 /nfs/dbraw/zinc/91/87/75/823918775.db2.gz XSEMWZXYYWWARO-SNVBAGLBSA-N 1 2 399.130 4.205 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000192259164 823920080 /nfs/dbraw/zinc/92/00/80/823920080.db2.gz UTQZXNTXIROPCS-CABCVRRESA-N 1 2 377.891 4.280 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Br)c(C)c1 ZINC000192261658 823921265 /nfs/dbraw/zinc/92/12/65/823921265.db2.gz RYPIQRBDXWOCQC-UHFFFAOYSA-N 1 2 378.314 4.069 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651320 823927344 /nfs/dbraw/zinc/92/73/44/823927344.db2.gz XKCBCGDSRJTXMD-UHFFFAOYSA-N 1 2 391.874 4.003 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2cccnc2N2CCCC2)no1)c1cccc(Cl)c1 ZINC000575161331 823927586 /nfs/dbraw/zinc/92/75/86/823927586.db2.gz QIJDSAFIJKMLCI-QGZVFWFLSA-N 1 2 383.883 4.036 20 0 GIADLO CN(C)c1ccccc1C[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000575163987 823928589 /nfs/dbraw/zinc/92/85/89/823928589.db2.gz QUHNBKSELHGVNQ-UHFFFAOYSA-N 1 2 376.426 4.290 20 0 GIADLO CN(C)c1ccccc1C[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000575163987 823928596 /nfs/dbraw/zinc/92/85/96/823928596.db2.gz QUHNBKSELHGVNQ-UHFFFAOYSA-N 1 2 376.426 4.290 20 0 GIADLO COc1ccc2oc(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)c(C)c2c1 ZINC000126703440 823931158 /nfs/dbraw/zinc/93/11/58/823931158.db2.gz IFVLWPDBZKNYNM-UHFFFAOYSA-N 1 2 379.460 4.065 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(C2SCCS2)cc1 ZINC000126709646 823932909 /nfs/dbraw/zinc/93/29/09/823932909.db2.gz AKIMIIHVIHYVCO-UHFFFAOYSA-N 1 2 399.585 4.481 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2c(F)cc(F)cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000192286177 823933652 /nfs/dbraw/zinc/93/36/52/823933652.db2.gz YAXNBWQPFHAAAK-YGRLFVJLSA-N 1 2 399.239 4.039 20 0 GIADLO Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414247729 823940455 /nfs/dbraw/zinc/94/04/55/823940455.db2.gz OVVDGQDTNJECQQ-NSHDSACASA-N 1 2 390.178 4.174 20 0 GIADLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2C1 ZINC000462366921 823943739 /nfs/dbraw/zinc/94/37/39/823943739.db2.gz XVERNNMFYSGHII-CYBMUJFWSA-N 1 2 380.460 4.126 20 0 GIADLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2C1 ZINC000462366921 823943745 /nfs/dbraw/zinc/94/37/45/823943745.db2.gz XVERNNMFYSGHII-CYBMUJFWSA-N 1 2 380.460 4.126 20 0 GIADLO FC(F)(F)c1ccnc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)n1 ZINC000414260172 823944402 /nfs/dbraw/zinc/94/44/02/823944402.db2.gz QMZDBZASMSWPBC-MRXNPFEDSA-N 1 2 377.410 4.378 20 0 GIADLO Cc1ccc(C[N@@H+](C)Cc2nc([C@@H](C)OCC(C)C)no2)c(-c2ccnn2C)c1 ZINC000575233929 823947976 /nfs/dbraw/zinc/94/79/76/823947976.db2.gz QJIKISPVAPNEEY-QGZVFWFLSA-N 1 2 397.523 4.144 20 0 GIADLO Cc1ccc(C[N@H+](C)Cc2nc([C@@H](C)OCC(C)C)no2)c(-c2ccnn2C)c1 ZINC000575233929 823947981 /nfs/dbraw/zinc/94/79/81/823947981.db2.gz QJIKISPVAPNEEY-QGZVFWFLSA-N 1 2 397.523 4.144 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1)c1csnn1 ZINC000414292931 823953333 /nfs/dbraw/zinc/95/33/33/823953333.db2.gz CLDFUDRNFHYACX-GJZGRUSLSA-N 1 2 379.489 4.177 20 0 GIADLO COc1ccc2c(c1)C[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)CC2 ZINC000065163263 823955674 /nfs/dbraw/zinc/95/56/74/823955674.db2.gz JEJKZBAZXRBDCC-CYBMUJFWSA-N 1 2 393.314 4.238 20 0 GIADLO COc1ccc2c(c1)C[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)CC2 ZINC000065163263 823955683 /nfs/dbraw/zinc/95/56/83/823955683.db2.gz JEJKZBAZXRBDCC-CYBMUJFWSA-N 1 2 393.314 4.238 20 0 GIADLO Cc1ccc([C@@H]2CCC[N@H+]2Cn2nc(-c3cccnc3)n(C)c2=S)cc1C ZINC000126814808 823958187 /nfs/dbraw/zinc/95/81/87/823958187.db2.gz YUKXLQXBVXFKAC-IBGZPJMESA-N 1 2 379.533 4.425 20 0 GIADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(-c3cccnc3)n(C)c2=S)cc1C ZINC000126814808 823958195 /nfs/dbraw/zinc/95/81/95/823958195.db2.gz YUKXLQXBVXFKAC-IBGZPJMESA-N 1 2 379.533 4.425 20 0 GIADLO CCOC(=O)C[N@H+](Cc1ccc(F)cc1)Cc1c(O)ccc2ccc(OC)cc21 ZINC000065188583 823958333 /nfs/dbraw/zinc/95/83/33/823958333.db2.gz WVXWAZKOHJVYQM-UHFFFAOYSA-N 1 2 397.446 4.258 20 0 GIADLO CCOC(=O)C[N@@H+](Cc1ccc(F)cc1)Cc1c(O)ccc2ccc(OC)cc21 ZINC000065188583 823958336 /nfs/dbraw/zinc/95/83/36/823958336.db2.gz WVXWAZKOHJVYQM-UHFFFAOYSA-N 1 2 397.446 4.258 20 0 GIADLO Brc1cccc2c1OCCC[C@H]2[NH2+]Cc1nnc(C2CC2)s1 ZINC000414333877 823960227 /nfs/dbraw/zinc/96/02/27/823960227.db2.gz WRQJCSUTGUPOTC-CYBMUJFWSA-N 1 2 380.311 4.182 20 0 GIADLO Brc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(C3CC3)s1)CCCO2 ZINC000414333948 823960372 /nfs/dbraw/zinc/96/03/72/823960372.db2.gz WVCKIDGKGQNXKV-CYBMUJFWSA-N 1 2 380.311 4.182 20 0 GIADLO Cc1cc([C@@H](C)NC2CC[NH+](Cc3cccc(Br)c3)CC2)no1 ZINC000414345092 823961633 /nfs/dbraw/zinc/96/16/33/823961633.db2.gz DCYXWMOISBSJOL-CQSZACIVSA-N 1 2 378.314 4.061 20 0 GIADLO Cc1cc(C(=O)NC2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)c(C)o1 ZINC000170776824 823968747 /nfs/dbraw/zinc/96/87/47/823968747.db2.gz URUPANTVCMOVMC-UHFFFAOYSA-N 1 2 385.489 4.007 20 0 GIADLO C[C@@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)CC(F)(F)F ZINC000414408562 823974146 /nfs/dbraw/zinc/97/41/46/823974146.db2.gz MQPVCSOCAMBOSQ-VXGBXAGGSA-N 1 2 378.464 4.085 20 0 GIADLO C[C@@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)CC(F)(F)F ZINC000414408562 823974150 /nfs/dbraw/zinc/97/41/50/823974150.db2.gz MQPVCSOCAMBOSQ-VXGBXAGGSA-N 1 2 378.464 4.085 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc3ncccc32)C[C@H](C)O1 ZINC000126941218 823985783 /nfs/dbraw/zinc/98/57/83/823985783.db2.gz ZUFNGOIURSERFF-IRXDYDNUSA-N 1 2 375.472 4.096 20 0 GIADLO CCc1ncc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cn1 ZINC000414454376 823987959 /nfs/dbraw/zinc/98/79/59/823987959.db2.gz QJRYSMSAPMTGCI-KRWDZBQOSA-N 1 2 379.426 4.410 20 0 GIADLO CCc1ncc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cn1 ZINC000414454376 823987965 /nfs/dbraw/zinc/98/79/65/823987965.db2.gz QJRYSMSAPMTGCI-KRWDZBQOSA-N 1 2 379.426 4.410 20 0 GIADLO Cn1c[nH+]c(CCNC(=O)N2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)c1 ZINC000575768175 823989712 /nfs/dbraw/zinc/98/97/12/823989712.db2.gz RNBRGKBRXLLAMO-OAQYLSRUSA-N 1 2 394.906 4.125 20 0 GIADLO O=C(Nc1cccc(C[N@@H+]2CCO[C@H](CF)C2)c1)c1ccc(Cl)cc1Cl ZINC000414469893 823990668 /nfs/dbraw/zinc/99/06/68/823990668.db2.gz KGNMBYCJIKADHK-MRXNPFEDSA-N 1 2 397.277 4.416 20 0 GIADLO O=C(Nc1cccc(C[N@H+]2CCO[C@H](CF)C2)c1)c1ccc(Cl)cc1Cl ZINC000414469893 823990673 /nfs/dbraw/zinc/99/06/73/823990673.db2.gz KGNMBYCJIKADHK-MRXNPFEDSA-N 1 2 397.277 4.416 20 0 GIADLO C[NH2+]Cc1noc(/C=C/c2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)n1 ZINC000414502379 823996447 /nfs/dbraw/zinc/99/64/47/823996447.db2.gz PCAGPWQPLPNUKF-BQYQJAHWSA-N 1 2 392.290 4.128 20 0 GIADLO Cn1c(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)nc2cc(Cl)ccc21 ZINC000192460713 823998830 /nfs/dbraw/zinc/99/88/30/823998830.db2.gz TUUNQSXTIJVEPC-UHFFFAOYSA-N 1 2 385.870 4.461 20 0 GIADLO CCCCc1oc2ccccc2c1C[N@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000170928940 824007387 /nfs/dbraw/zinc/00/73/87/824007387.db2.gz GIEBJKHUKZUPLO-UHFFFAOYSA-N 1 2 399.560 4.495 20 0 GIADLO CCCCc1oc2ccccc2c1C[N@@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000170928940 824007394 /nfs/dbraw/zinc/00/73/94/824007394.db2.gz GIEBJKHUKZUPLO-UHFFFAOYSA-N 1 2 399.560 4.495 20 0 GIADLO Cc1ccc(-n2cc(C[N@H+](CCCO)Cc3ccccn3)c(C(C)(C)C)n2)cc1 ZINC000575857232 824013974 /nfs/dbraw/zinc/01/39/74/824013974.db2.gz QGJTULONTJHQFZ-UHFFFAOYSA-N 1 2 392.547 4.258 20 0 GIADLO Cc1ccc(-n2cc(C[N@@H+](CCCO)Cc3ccccn3)c(C(C)(C)C)n2)cc1 ZINC000575857232 824013982 /nfs/dbraw/zinc/01/39/82/824013982.db2.gz QGJTULONTJHQFZ-UHFFFAOYSA-N 1 2 392.547 4.258 20 0 GIADLO CCCOc1ccc(CN(CCC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1OCC ZINC000575871880 824016978 /nfs/dbraw/zinc/01/69/78/824016978.db2.gz VOAZICPFAWLVEB-LJQANCHMSA-N 1 2 399.535 4.072 20 0 GIADLO CCCCn1c2ccc(C(F)(F)F)cc2nc1SCc1nc(C[NH2+]C)no1 ZINC000414644847 824020651 /nfs/dbraw/zinc/02/06/51/824020651.db2.gz PBUMWGNTJHMVLR-UHFFFAOYSA-N 1 2 399.442 4.250 20 0 GIADLO C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)c1cc2ccccc2s1 ZINC000170968929 824022567 /nfs/dbraw/zinc/02/25/67/824022567.db2.gz XMFULWTXKLOUCB-KSFYIVLOSA-N 1 2 394.540 4.277 20 0 GIADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000575956767 824037225 /nfs/dbraw/zinc/03/72/25/824037225.db2.gz WXHMAGJNEUHTMF-NVXWUHKLSA-N 1 2 384.842 4.251 20 0 GIADLO COCC[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccccc1 ZINC000171037616 824044055 /nfs/dbraw/zinc/04/40/55/824044055.db2.gz QYVIREOBXYTSLG-UHFFFAOYSA-N 1 2 383.517 4.326 20 0 GIADLO COCC[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccccc1 ZINC000171037616 824044061 /nfs/dbraw/zinc/04/40/61/824044061.db2.gz QYVIREOBXYTSLG-UHFFFAOYSA-N 1 2 383.517 4.326 20 0 GIADLO COc1ccccc1CC1CC[NH+]([C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000171040368 824044828 /nfs/dbraw/zinc/04/48/28/824044828.db2.gz WXRAJYXLEVCTNJ-HNNXBMFYSA-N 1 2 388.458 4.255 20 0 GIADLO CCc1nc2cc(C[NH2+]Cc3csc(N(CC)C(C)=O)n3)ccc2n1C1CC1 ZINC000576005323 824048211 /nfs/dbraw/zinc/04/82/11/824048211.db2.gz LDCLEHWLQCWCOF-UHFFFAOYSA-N 1 2 397.548 4.053 20 0 GIADLO COCCOc1cc(C)ccc1C[NH2+]Cc1c(F)cccc1Br ZINC000192635472 824051836 /nfs/dbraw/zinc/05/18/36/824051836.db2.gz UQTFNHHNVSDQIP-UHFFFAOYSA-N 1 2 382.273 4.212 20 0 GIADLO CCC[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc(F)cc1F ZINC000359893737 212122097 /nfs/dbraw/zinc/12/20/97/212122097.db2.gz CGAOIVYOXBUSBC-ROUUACIJSA-N 1 2 383.435 4.453 20 0 GIADLO Cc1ccc(NC(=O)c2ccc(OCc3cn4cccc(C)c4[nH+]3)cc2)c(O)c1 ZINC000010891033 221108802 /nfs/dbraw/zinc/10/88/02/221108802.db2.gz NBQCXDIRZTTYAQ-UHFFFAOYSA-N 1 2 387.439 4.488 20 0 GIADLO C[N@H+](CCC(F)(F)F)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000064635845 222077116 /nfs/dbraw/zinc/07/71/16/222077116.db2.gz XTUAFLAHBFBULJ-SFHVURJKSA-N 1 2 382.451 4.106 20 0 GIADLO C[N@@H+](CCC(F)(F)F)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000064635845 222077119 /nfs/dbraw/zinc/07/71/19/222077119.db2.gz XTUAFLAHBFBULJ-SFHVURJKSA-N 1 2 382.451 4.106 20 0 GIADLO COc1ccc(-c2nc(C[NH+]3CCN(c4cccc(C)c4C)CC3)co2)cc1 ZINC000072102740 222205562 /nfs/dbraw/zinc/20/55/62/222205562.db2.gz GAQVJOFKPLDAKQ-UHFFFAOYSA-N 1 2 377.488 4.289 20 0 GIADLO COc1c(C)cc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1C ZINC000583621767 570802341 /nfs/dbraw/zinc/80/23/41/570802341.db2.gz KXJLAXCFKCCBJS-IBGZPJMESA-N 1 2 385.508 4.316 20 0 GIADLO COc1c(C)cc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1C ZINC000583621767 570802343 /nfs/dbraw/zinc/80/23/43/570802343.db2.gz KXJLAXCFKCCBJS-IBGZPJMESA-N 1 2 385.508 4.316 20 0 GIADLO Clc1cnc(Cl)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1Cl ZINC001164730444 720389379 /nfs/dbraw/zinc/38/93/79/720389379.db2.gz XKVKDXCJVRJSAH-KBPBESRZSA-N 1 2 383.710 4.290 20 0 GIADLO Clc1cnc(Cl)c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1Cl ZINC001164730444 720389382 /nfs/dbraw/zinc/38/93/82/720389382.db2.gz XKVKDXCJVRJSAH-KBPBESRZSA-N 1 2 383.710 4.290 20 0 GIADLO Cc1ccsc1[C@H](CO)[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000411563712 823588320 /nfs/dbraw/zinc/58/83/20/823588320.db2.gz FLRRQMQMMZGUMH-QMMMGPOBSA-N 1 2 398.219 4.199 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1ccc(F)cc1Cl ZINC000175837962 823052077 /nfs/dbraw/zinc/05/20/77/823052077.db2.gz XSZLSCKTUOCKEW-XJKSGUPXSA-N 1 2 382.888 4.067 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1ccc(F)cc1Cl ZINC000175837962 823052078 /nfs/dbraw/zinc/05/20/78/823052078.db2.gz XSZLSCKTUOCKEW-XJKSGUPXSA-N 1 2 382.888 4.067 20 0 GIADLO CN(Cc1cc2ccccc2o1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000175845787 823053705 /nfs/dbraw/zinc/05/37/05/823053705.db2.gz CVPKFTHHDGRIEI-UHFFFAOYSA-N 1 2 390.443 4.372 20 0 GIADLO CC(C)c1noc([C@H](C)[NH+]2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)n1 ZINC000175871719 823060343 /nfs/dbraw/zinc/06/03/43/823060343.db2.gz NSELKCVTWXTULX-HNNXBMFYSA-N 1 2 392.544 4.366 20 0 GIADLO C[C@H]1C[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C[C@H](c2ccsc2)O1 ZINC000120774942 823061389 /nfs/dbraw/zinc/06/13/89/823061389.db2.gz BSICGJHLKCEKGM-HRAATJIYSA-N 1 2 396.512 4.233 20 0 GIADLO C[C@H]1C[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C[C@H](c2ccsc2)O1 ZINC000120774942 823061390 /nfs/dbraw/zinc/06/13/90/823061390.db2.gz BSICGJHLKCEKGM-HRAATJIYSA-N 1 2 396.512 4.233 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000120802262 823067112 /nfs/dbraw/zinc/06/71/12/823067112.db2.gz HIZVEPDWUJUIOA-UHFFFAOYSA-N 1 2 375.904 4.081 20 0 GIADLO C[C@@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Br)cc1 ZINC000120825951 823071956 /nfs/dbraw/zinc/07/19/56/823071956.db2.gz ARVPGYWAMIMGMD-AWEZNQCLSA-N 1 2 376.298 4.003 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(-c2ccncc2)c(F)c1 ZINC000570666282 823069112 /nfs/dbraw/zinc/06/91/12/823069112.db2.gz DVOSBKMZOUKXBA-UHFFFAOYSA-N 1 2 390.462 4.203 20 0 GIADLO COc1ccc2c(c1)oc(C(=O)N[C@@H](C)Cn1cc[nH+]c1)c2-c1ccccc1 ZINC000055996449 823076359 /nfs/dbraw/zinc/07/63/59/823076359.db2.gz BDNCVMUQVYZXBA-HNNXBMFYSA-N 1 2 375.428 4.123 20 0 GIADLO CCc1cccc(NC(=O)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000187508905 823077674 /nfs/dbraw/zinc/07/76/74/823077674.db2.gz LKHANJNKPLSPNG-UHFFFAOYSA-N 1 2 388.471 4.026 20 0 GIADLO O=C(CCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cc(Cl)sc1Cl ZINC000120882620 823081740 /nfs/dbraw/zinc/08/17/40/823081740.db2.gz PTYNZBAPCBOKOQ-GFCCVEGCSA-N 1 2 399.299 4.093 20 0 GIADLO C[C@@H]1C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H](c2ccsc2)O1 ZINC000120879441 823081156 /nfs/dbraw/zinc/08/11/56/823081156.db2.gz GEALVNVIHGWEOY-DYESRHJHSA-N 1 2 384.545 4.336 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@H](c2ccsc2)O1 ZINC000120879441 823081163 /nfs/dbraw/zinc/08/11/63/823081163.db2.gz GEALVNVIHGWEOY-DYESRHJHSA-N 1 2 384.545 4.336 20 0 GIADLO CCc1cccc(CC)c1NC(=O)Cc1noc([C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000570759354 823082167 /nfs/dbraw/zinc/08/21/67/823082167.db2.gz KAWKJRXVFIJNCI-JOCHJYFZSA-N 1 2 392.503 4.027 20 0 GIADLO CC(=O)Nc1cccc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000056153750 823090580 /nfs/dbraw/zinc/09/05/80/823090580.db2.gz JEHHHCDZBZUHPI-JOCHJYFZSA-N 1 2 391.446 4.254 20 0 GIADLO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000176010156 823095175 /nfs/dbraw/zinc/09/51/75/823095175.db2.gz GABYQBJVOVCUFO-LJQANCHMSA-N 1 2 383.879 4.059 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1(Cc2ccccc2Cl)CC1 ZINC000187597507 823095143 /nfs/dbraw/zinc/09/51/43/823095143.db2.gz TYBVWEHWSNSWIC-UHFFFAOYSA-N 1 2 379.891 4.224 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(Cl)ccc1OC(F)F ZINC000176010179 823095288 /nfs/dbraw/zinc/09/52/88/823095288.db2.gz CYKULMVCQMWLPD-UHFFFAOYSA-N 1 2 391.805 4.116 20 0 GIADLO O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1 ZINC000056182904 823097933 /nfs/dbraw/zinc/09/79/33/823097933.db2.gz GTIAPHYRZXAYFG-QFIPXVFZSA-N 1 2 391.446 4.123 20 0 GIADLO Cc1oc2ccccc2c1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000570854241 823095964 /nfs/dbraw/zinc/09/59/64/823095964.db2.gz RPYOTDRJIJYTHA-LJQANCHMSA-N 1 2 375.428 4.365 20 0 GIADLO Cc1oc2ccccc2c1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000570854241 823095971 /nfs/dbraw/zinc/09/59/71/823095971.db2.gz RPYOTDRJIJYTHA-LJQANCHMSA-N 1 2 375.428 4.365 20 0 GIADLO Cc1cncc(-c2nc(C[NH+]3CCC(c4ccnc5ccccc54)CC3)no2)c1 ZINC000570864174 823098530 /nfs/dbraw/zinc/09/85/30/823098530.db2.gz PKKODMYDCGJVRT-UHFFFAOYSA-N 1 2 385.471 4.368 20 0 GIADLO CCN(CCc1cccs1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458871608 823099553 /nfs/dbraw/zinc/09/95/53/823099553.db2.gz AHHXRLBEWPCCTK-UHFFFAOYSA-N 1 2 388.924 4.361 20 0 GIADLO C[C@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000176028491 823099586 /nfs/dbraw/zinc/09/95/86/823099586.db2.gz YBVYRRSEXDONEZ-OSPHWJPCSA-N 1 2 389.499 4.380 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000121018020 823103595 /nfs/dbraw/zinc/10/35/95/823103595.db2.gz XRSJLNODSRFTCC-AWEZNQCLSA-N 1 2 391.585 4.237 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000121018020 823103598 /nfs/dbraw/zinc/10/35/98/823103598.db2.gz XRSJLNODSRFTCC-AWEZNQCLSA-N 1 2 391.585 4.237 20 0 GIADLO CC(C)Oc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000570908570 823106354 /nfs/dbraw/zinc/10/63/54/823106354.db2.gz VODZSPDSOBGKHY-LJQANCHMSA-N 1 2 396.535 4.096 20 0 GIADLO COc1ccccc1OCC[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121060340 823110827 /nfs/dbraw/zinc/11/08/27/823110827.db2.gz XOKBCVMQHAOLDT-UHFFFAOYSA-N 1 2 399.516 4.196 20 0 GIADLO COc1ccccc1OCC[N@@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121060340 823110828 /nfs/dbraw/zinc/11/08/28/823110828.db2.gz XOKBCVMQHAOLDT-UHFFFAOYSA-N 1 2 399.516 4.196 20 0 GIADLO FC(F)(F)c1ccc(O[C@@H]2CC[N@H+](Cc3cnc4ccc(Cl)cn34)C2)nc1 ZINC000571006957 823119237 /nfs/dbraw/zinc/11/92/37/823119237.db2.gz QWKJMDWRSMOBNZ-OAHLLOKOSA-N 1 2 396.800 4.055 20 0 GIADLO FC(F)(F)c1ccc(O[C@@H]2CC[N@@H+](Cc3cnc4ccc(Cl)cn34)C2)nc1 ZINC000571006957 823119238 /nfs/dbraw/zinc/11/92/38/823119238.db2.gz QWKJMDWRSMOBNZ-OAHLLOKOSA-N 1 2 396.800 4.055 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000459003934 823115327 /nfs/dbraw/zinc/11/53/27/823115327.db2.gz JETMPONFPTWZHS-IBGZPJMESA-N 1 2 390.890 4.305 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2ccc(N3CCCCC3)nc2)no1)c1ccc(Cl)cc1 ZINC000570984976 823115739 /nfs/dbraw/zinc/11/57/39/823115739.db2.gz AIFYGLYWHISYOA-IBGZPJMESA-N 1 2 397.910 4.426 20 0 GIADLO Cc1c([C@@H](C)[NH2+]Cc2cc(C(N)=O)co2)cnn1-c1ccc(Cl)cc1Cl ZINC000187707051 823117254 /nfs/dbraw/zinc/11/72/54/823117254.db2.gz FZWOSGWSGHAOOG-SNVBAGLBSA-N 1 2 393.274 4.030 20 0 GIADLO CCn1c(=S)n(C[N@H+](C)C[C@H]2CCOC2)nc1-c1ccc(C(C)(C)C)cc1 ZINC000176099890 823119890 /nfs/dbraw/zinc/11/98/90/823119890.db2.gz HVWSEXGAMUPMGO-MRXNPFEDSA-N 1 2 388.581 4.324 20 0 GIADLO CCn1c(=S)n(C[N@@H+](C)C[C@H]2CCOC2)nc1-c1ccc(C(C)(C)C)cc1 ZINC000176099890 823119895 /nfs/dbraw/zinc/11/98/95/823119895.db2.gz HVWSEXGAMUPMGO-MRXNPFEDSA-N 1 2 388.581 4.324 20 0 GIADLO CC[N@@H+](Cc1ccc(OC(C)C)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000187729451 823120961 /nfs/dbraw/zinc/12/09/61/823120961.db2.gz PHNFVMSJPFTBIN-UHFFFAOYSA-N 1 2 385.895 4.386 20 0 GIADLO CC[N@H+](Cc1ccc(OC(C)C)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000187729451 823120968 /nfs/dbraw/zinc/12/09/68/823120968.db2.gz PHNFVMSJPFTBIN-UHFFFAOYSA-N 1 2 385.895 4.386 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c[nH+]1 ZINC000459116690 823130035 /nfs/dbraw/zinc/13/00/35/823130035.db2.gz JUJAXZBYNWBBBX-UHFFFAOYSA-N 1 2 392.478 4.187 20 0 GIADLO C[C@H](CNC(=O)CCSc1ccnc2cc(Cl)ccc21)Cn1cc[nH+]c1 ZINC000176121096 823127100 /nfs/dbraw/zinc/12/71/00/823127100.db2.gz OLTXROUODHMBKO-CQSZACIVSA-N 1 2 388.924 4.019 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000121166395 823130998 /nfs/dbraw/zinc/13/09/98/823130998.db2.gz CKDWXZGQNLSYSA-HNNXBMFYSA-N 1 2 377.529 4.365 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000121166395 823131002 /nfs/dbraw/zinc/13/10/02/823131002.db2.gz CKDWXZGQNLSYSA-HNNXBMFYSA-N 1 2 377.529 4.365 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)NCCC(c1ccccc1)c1ccccc1 ZINC000056357220 823135550 /nfs/dbraw/zinc/13/55/50/823135550.db2.gz DKQUHGUHHSTOCS-UHFFFAOYSA-N 1 2 376.504 4.185 20 0 GIADLO COCc1ccccc1CNC(=O)C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121182641 823133851 /nfs/dbraw/zinc/13/38/51/823133851.db2.gz INUSNVXYASPWBJ-INIZCTEOSA-N 1 2 389.565 4.031 20 0 GIADLO COCc1ccccc1CNC(=O)C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121182641 823133856 /nfs/dbraw/zinc/13/38/56/823133856.db2.gz INUSNVXYASPWBJ-INIZCTEOSA-N 1 2 389.565 4.031 20 0 GIADLO O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000056350447 823134251 /nfs/dbraw/zinc/13/42/51/823134251.db2.gz KTAPYLWEYBRJMK-HXUWFJFHSA-N 1 2 391.471 4.132 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C2(Cc3ccccc3F)CC2)C[C@H](C)O1 ZINC000187832454 823142343 /nfs/dbraw/zinc/14/23/43/823142343.db2.gz YWYOJBUJWROPKC-ROUUACIJSA-N 1 2 396.506 4.396 20 0 GIADLO Cc1ccc(CNC(=O)C2CCN(c3[nH+]ccc4cc(F)ccc43)CC2)cc1F ZINC000571160041 823142559 /nfs/dbraw/zinc/14/25/59/823142559.db2.gz AHVVNADLQWYULC-UHFFFAOYSA-N 1 2 395.453 4.354 20 0 GIADLO CC(C)(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000056404266 823144583 /nfs/dbraw/zinc/14/45/83/823144583.db2.gz KJMKBNFDKSCBBF-UHFFFAOYSA-N 1 2 381.907 4.221 20 0 GIADLO C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000571208678 823148749 /nfs/dbraw/zinc/14/87/49/823148749.db2.gz YZYCXYLVMXBJBU-AWEZNQCLSA-N 1 2 388.512 4.419 20 0 GIADLO O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000176196282 823150217 /nfs/dbraw/zinc/15/02/17/823150217.db2.gz LMJSHHDHTJUELN-QZTJIDSGSA-N 1 2 377.463 4.282 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC2CCC(C(F)F)CC2)C[C@@H](C)O1 ZINC000459266546 823153981 /nfs/dbraw/zinc/15/39/81/823153981.db2.gz WPZOEZBEFWONQH-RSIVFMTNSA-N 1 2 395.494 4.241 20 0 GIADLO CCOc1cc(C[N@H+](CC)CC(=O)Nc2c(F)cccc2F)cc(Cl)c1O ZINC000459302280 823158769 /nfs/dbraw/zinc/15/87/69/823158769.db2.gz SEZLYMXKIGVCJQ-UHFFFAOYSA-N 1 2 398.837 4.183 20 0 GIADLO CCOc1cc(C[N@@H+](CC)CC(=O)Nc2c(F)cccc2F)cc(Cl)c1O ZINC000459302280 823158773 /nfs/dbraw/zinc/15/87/73/823158773.db2.gz SEZLYMXKIGVCJQ-UHFFFAOYSA-N 1 2 398.837 4.183 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H]3c3ccccn3)n2)C1 ZINC000056554870 823168617 /nfs/dbraw/zinc/16/86/17/823168617.db2.gz UEVVJSMYIHPUAY-CRAIPNDOSA-N 1 2 385.537 4.139 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H]3c3ccccn3)n2)C1 ZINC000056554870 823168621 /nfs/dbraw/zinc/16/86/21/823168621.db2.gz UEVVJSMYIHPUAY-CRAIPNDOSA-N 1 2 385.537 4.139 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(OCC(F)(F)F)cc1 ZINC000056595973 823177593 /nfs/dbraw/zinc/17/75/93/823177593.db2.gz VUAUDBOEHKEMCY-UHFFFAOYSA-N 1 2 390.365 4.135 20 0 GIADLO O=C(c1cccc(COc2cccc(F)c2)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121430415 823182961 /nfs/dbraw/zinc/18/29/61/823182961.db2.gz LQNJEFWJHRCVKP-JOCHJYFZSA-N 1 2 392.430 4.093 20 0 GIADLO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000411771053 823603823 /nfs/dbraw/zinc/60/38/23/823603823.db2.gz FEAPELMWKPWIGX-JTQLQIEISA-N 1 2 390.174 4.488 20 0 GIADLO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccn2cc[nH+]c2c1 ZINC000571411533 823179036 /nfs/dbraw/zinc/17/90/36/823179036.db2.gz HZCFNOFMTJPORO-UHFFFAOYSA-N 1 2 398.875 4.204 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@H](C)c2ccc(-c3ccc(Cl)cc3)s2)n1 ZINC000459391874 823181361 /nfs/dbraw/zinc/18/13/61/823181361.db2.gz AEWAYGWWCSELBQ-LLVKDONJSA-N 1 2 391.880 4.479 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@H](c2ccco2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000121428315 823182621 /nfs/dbraw/zinc/18/26/21/823182621.db2.gz AQJKEFQJGLHUEW-UGKGYDQZSA-N 1 2 396.512 4.010 20 0 GIADLO O=C(CC[N@H+]1CCO[C@H](c2ccco2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000121428315 823182625 /nfs/dbraw/zinc/18/26/25/823182625.db2.gz AQJKEFQJGLHUEW-UGKGYDQZSA-N 1 2 396.512 4.010 20 0 GIADLO C[C@H]1[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCN1c1ccccc1 ZINC000571445004 823183477 /nfs/dbraw/zinc/18/34/77/823183477.db2.gz PTTSQDNWUXSZGK-UWJYYQICSA-N 1 2 385.471 4.364 20 0 GIADLO CCC1(c2ccccc2)CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000459397048 823182876 /nfs/dbraw/zinc/18/28/76/823182876.db2.gz JFVJBVDAADMHDI-UHFFFAOYSA-N 1 2 390.487 4.158 20 0 GIADLO COCc1cc(C[NH2+]Cc2ccc(Oc3ccccc3C(F)(F)F)nc2)no1 ZINC000459402497 823184911 /nfs/dbraw/zinc/18/49/11/823184911.db2.gz ABRGQPXIASNYMV-UHFFFAOYSA-N 1 2 393.365 4.317 20 0 GIADLO COc1ccc(C[C@H](C)C[N@H+](C)Cn2nc(-c3ccncc3)oc2=S)cc1 ZINC000121452547 823187205 /nfs/dbraw/zinc/18/72/05/823187205.db2.gz UVEIPICNMJVLET-HNNXBMFYSA-N 1 2 384.505 4.044 20 0 GIADLO COc1ccc(C[C@H](C)C[N@@H+](C)Cn2nc(-c3ccncc3)oc2=S)cc1 ZINC000121452547 823187206 /nfs/dbraw/zinc/18/72/06/823187206.db2.gz UVEIPICNMJVLET-HNNXBMFYSA-N 1 2 384.505 4.044 20 0 GIADLO COc1ccc(C[C@@H](C)C[N@H+](C)Cn2nc(-c3ccncc3)oc2=S)cc1 ZINC000121452710 823187568 /nfs/dbraw/zinc/18/75/68/823187568.db2.gz UVEIPICNMJVLET-OAHLLOKOSA-N 1 2 384.505 4.044 20 0 GIADLO COc1ccc(C[C@@H](C)C[N@@H+](C)Cn2nc(-c3ccncc3)oc2=S)cc1 ZINC000121452710 823187569 /nfs/dbraw/zinc/18/75/69/823187569.db2.gz UVEIPICNMJVLET-OAHLLOKOSA-N 1 2 384.505 4.044 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000571479799 823188988 /nfs/dbraw/zinc/18/89/88/823188988.db2.gz VUODARXZTDKISG-UHFFFAOYSA-N 1 2 394.381 4.449 20 0 GIADLO COc1ccc(-c2cc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)sc2C)cc1 ZINC000121463752 823189307 /nfs/dbraw/zinc/18/93/07/823189307.db2.gz JCUUDQZCQKIQSJ-LJQANCHMSA-N 1 2 394.496 4.421 20 0 GIADLO C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000176350545 823189435 /nfs/dbraw/zinc/18/94/35/823189435.db2.gz UOSINGXKNJIXMC-QZTJIDSGSA-N 1 2 378.476 4.276 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCc2ccc(F)cc2)C[C@@H](C)O1 ZINC000056661881 823192027 /nfs/dbraw/zinc/19/20/27/823192027.db2.gz WXOZGQZKIIFZTH-QZTJIDSGSA-N 1 2 399.510 4.141 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc(OCc2cccnc2)c1 ZINC000056663069 823192240 /nfs/dbraw/zinc/19/22/40/823192240.db2.gz WEIPEQQBQDXBRT-UHFFFAOYSA-N 1 2 399.454 4.168 20 0 GIADLO COc1ccc([C@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccccc2OC)cc1 ZINC000459445215 823193764 /nfs/dbraw/zinc/19/37/64/823193764.db2.gz GNSUCPWERBICKG-QFIPXVFZSA-N 1 2 375.472 4.250 20 0 GIADLO CC[C@H](CSc1ccccc1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000121491422 823193997 /nfs/dbraw/zinc/19/39/97/823193997.db2.gz CAXFKRIYXJNVSJ-HXUWFJFHSA-N 1 2 394.544 4.302 20 0 GIADLO Cn1c[nH+]cc1CCNC(=O)c1oc2ccccc2c1CSc1cccs1 ZINC000121495476 823194534 /nfs/dbraw/zinc/19/45/34/823194534.db2.gz JLUWJYDANZETAO-UHFFFAOYSA-N 1 2 397.525 4.493 20 0 GIADLO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000176383979 823195332 /nfs/dbraw/zinc/19/53/32/823195332.db2.gz QVXCCMFTEMBHRQ-SFHVURJKSA-N 1 2 399.498 4.110 20 0 GIADLO Cc1ccc(-c2c[nH]cc2C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000188178322 823198828 /nfs/dbraw/zinc/19/88/28/823198828.db2.gz NRHQJVZMFWJNLO-UHFFFAOYSA-N 1 2 376.485 4.226 20 0 GIADLO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000459513217 823208359 /nfs/dbraw/zinc/20/83/59/823208359.db2.gz RHRRTWRNQBZBFC-YADHBBJMSA-N 1 2 379.500 4.241 20 0 GIADLO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000459513217 823208364 /nfs/dbraw/zinc/20/83/64/823208364.db2.gz RHRRTWRNQBZBFC-YADHBBJMSA-N 1 2 379.500 4.241 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000176442885 823208660 /nfs/dbraw/zinc/20/86/60/823208660.db2.gz NYZBLWNFSKRDDC-KRWDZBQOSA-N 1 2 378.472 4.316 20 0 GIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2cccc(C3CC3)n2)c(C)c1 ZINC000571616266 823209670 /nfs/dbraw/zinc/20/96/70/823209670.db2.gz UCZBQRDPDXBCQB-FQEVSTJZSA-N 1 2 375.476 4.335 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000056780685 823212670 /nfs/dbraw/zinc/21/26/70/823212670.db2.gz GMFOYVMIUURDAH-UHFFFAOYSA-N 1 2 384.867 4.327 20 0 GIADLO COc1ncc([C@@H](C)[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1Cl ZINC000571660834 823215443 /nfs/dbraw/zinc/21/54/43/823215443.db2.gz XVFCYDCOVVPVMQ-CQSZACIVSA-N 1 2 382.895 4.269 20 0 GIADLO COCc1cc(C[NH+]2CCC(F)(c3ccccc3OC(F)(F)F)CC2)no1 ZINC000459542977 823216218 /nfs/dbraw/zinc/21/62/18/823216218.db2.gz PDQAXOSKOVLYOQ-UHFFFAOYSA-N 1 2 388.361 4.180 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CCCS(=O)(=O)c2ccc(F)cc2)s1 ZINC000409449603 823221139 /nfs/dbraw/zinc/22/11/39/823221139.db2.gz VAJBAYCVHOCWDI-AWEZNQCLSA-N 1 2 384.542 4.010 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CCCS(=O)(=O)c2ccc(F)cc2)s1 ZINC000409449603 823221147 /nfs/dbraw/zinc/22/11/47/823221147.db2.gz VAJBAYCVHOCWDI-AWEZNQCLSA-N 1 2 384.542 4.010 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000121646424 823222041 /nfs/dbraw/zinc/22/20/41/823222041.db2.gz SVTQTLKYBRNUTI-UHFFFAOYSA-N 1 2 382.439 4.155 20 0 GIADLO Cc1ccc(C)c(OCCCCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000409454715 823222749 /nfs/dbraw/zinc/22/27/49/823222749.db2.gz TWBHDBSHNZMFDE-UHFFFAOYSA-N 1 2 395.478 4.494 20 0 GIADLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1[nH]c2ccccc2c1Br ZINC000056866673 823225660 /nfs/dbraw/zinc/22/56/60/823225660.db2.gz IVZVIJMXKMDYBQ-UHFFFAOYSA-N 1 2 381.233 4.368 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@@H+]2Cc3sccc3CC2(C)C)cc1Cl ZINC000459590034 823226369 /nfs/dbraw/zinc/22/63/69/823226369.db2.gz YFCDVGAEJIXQQH-UHFFFAOYSA-N 1 2 394.924 4.194 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@H+]2Cc3sccc3CC2(C)C)cc1Cl ZINC000459590034 823226372 /nfs/dbraw/zinc/22/63/72/823226372.db2.gz YFCDVGAEJIXQQH-UHFFFAOYSA-N 1 2 394.924 4.194 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000056872632 823226605 /nfs/dbraw/zinc/22/66/05/823226605.db2.gz QVUPDSBTZAMEHZ-DEOSSOPVSA-N 1 2 397.478 4.368 20 0 GIADLO CN(C)c1cccc(C[N@H+](C)Cc2nnc(-c3cc4c(s3)CCCC4)o2)c1 ZINC000121674230 823227952 /nfs/dbraw/zinc/22/79/52/823227952.db2.gz LSQFJDVMRQPMKX-UHFFFAOYSA-N 1 2 382.533 4.375 20 0 GIADLO CN(C)c1cccc(C[N@@H+](C)Cc2nnc(-c3cc4c(s3)CCCC4)o2)c1 ZINC000121674230 823227956 /nfs/dbraw/zinc/22/79/56/823227956.db2.gz LSQFJDVMRQPMKX-UHFFFAOYSA-N 1 2 382.533 4.375 20 0 GIADLO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894365 823229244 /nfs/dbraw/zinc/22/92/44/823229244.db2.gz KRFLGMGQRSWCPT-UHFFFAOYSA-N 1 2 388.393 4.233 20 0 GIADLO CC(=O)CCCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000121679693 823229291 /nfs/dbraw/zinc/22/92/91/823229291.db2.gz VWHBVAWNTNWPCN-UHFFFAOYSA-N 1 2 392.956 4.368 20 0 GIADLO C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000056895136 823229289 /nfs/dbraw/zinc/22/92/89/823229289.db2.gz MXPZZVJCWWAPGY-AWEZNQCLSA-N 1 2 388.393 4.452 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000121684488 823230108 /nfs/dbraw/zinc/23/01/08/823230108.db2.gz CSBARRBVTAMZGK-LBPRGKRZSA-N 1 2 384.377 4.065 20 0 GIADLO CC(C)(O)C1C[NH+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000459616066 823230326 /nfs/dbraw/zinc/23/03/26/823230326.db2.gz XWAWADYDHUDAKN-UHFFFAOYSA-N 1 2 390.321 4.231 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000176541773 823232942 /nfs/dbraw/zinc/23/29/42/823232942.db2.gz QJPYIXNDBAFPHB-DEXQXJORSA-N 1 2 397.544 4.043 20 0 GIADLO C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000056931643 823232187 /nfs/dbraw/zinc/23/21/87/823232187.db2.gz JAZHFLVCCRPQEO-JKSUJKDBSA-N 1 2 382.439 4.263 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000056940565 823233354 /nfs/dbraw/zinc/23/33/54/823233354.db2.gz CUCXPNTXAONESP-HXUWFJFHSA-N 1 2 380.879 4.072 20 0 GIADLO Cc1ccc([C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C2CC2)cc1 ZINC000409502400 823236030 /nfs/dbraw/zinc/23/60/30/823236030.db2.gz PKPRALHBQLVVQZ-OAQYLSRUSA-N 1 2 378.451 4.270 20 0 GIADLO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000409516173 823238960 /nfs/dbraw/zinc/23/89/60/823238960.db2.gz HBIJQZHKUAIZCD-OAHLLOKOSA-N 1 2 392.421 4.280 20 0 GIADLO C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)c1nc2c(s1)CCC2 ZINC000459651233 823239207 /nfs/dbraw/zinc/23/92/07/823239207.db2.gz OZVNKLAKBLRVIR-JTQLQIEISA-N 1 2 380.439 4.388 20 0 GIADLO CCn1c2ccc(F)cc2[nH+]c1NCc1cccc(Cl)c1S(=O)(=O)CC ZINC000188468981 823245603 /nfs/dbraw/zinc/24/56/03/823245603.db2.gz WUQJMEIEGRZCCH-UHFFFAOYSA-N 1 2 395.887 4.254 20 0 GIADLO COc1ccccc1[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)OC(C)C ZINC000188483590 823248674 /nfs/dbraw/zinc/24/86/74/823248674.db2.gz WBUAXEMNJWGRLF-LEWJYISDSA-N 1 2 383.467 4.403 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000571899357 823251390 /nfs/dbraw/zinc/25/13/90/823251390.db2.gz SLQSHMVCGZYWKJ-QGZVFWFLSA-N 1 2 380.414 4.229 20 0 GIADLO O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000057131218 823253252 /nfs/dbraw/zinc/25/32/52/823253252.db2.gz KKBHUVUAOWUYEY-KRWDZBQOSA-N 1 2 397.466 4.269 20 0 GIADLO O=C(c1cccn1-c1c(Cl)cccc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000409624932 823264909 /nfs/dbraw/zinc/26/49/09/823264909.db2.gz XHQVDKVFYNAGOV-UHFFFAOYSA-N 1 2 389.286 4.458 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)cc1OC ZINC000003585673 817488896 /nfs/dbraw/zinc/48/88/96/817488896.db2.gz QLTZANWDDAKIMS-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)cc1OC ZINC000003585673 817488900 /nfs/dbraw/zinc/48/89/00/817488900.db2.gz QLTZANWDDAKIMS-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000188595033 823269108 /nfs/dbraw/zinc/26/91/08/823269108.db2.gz ANCOPNXYQDHUIW-HZPDHXFCSA-N 1 2 385.508 4.043 20 0 GIADLO Cc1nc(CC2CC2)sc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000188594952 823269181 /nfs/dbraw/zinc/26/91/81/823269181.db2.gz JAEXHYZFAZQIQM-HUUCEWRRSA-N 1 2 399.560 4.266 20 0 GIADLO CCOCc1ccccc1-c1noc(Cn2c(C)[nH+]c3cc(F)c(F)cc32)n1 ZINC000572044062 823273587 /nfs/dbraw/zinc/27/35/87/823273587.db2.gz VRBKKEJEBQDWTQ-UHFFFAOYSA-N 1 2 384.386 4.258 20 0 GIADLO COCCN(Cc1cncs1)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000409659733 823276163 /nfs/dbraw/zinc/27/61/63/823276163.db2.gz OAXGMUMOBDHHDS-UHFFFAOYSA-N 1 2 396.285 4.246 20 0 GIADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCn2cc[nH+]c2)cc1C ZINC000057342435 823280798 /nfs/dbraw/zinc/28/07/98/823280798.db2.gz WUXKTZYHAKBOPV-UHFFFAOYSA-N 1 2 399.498 4.173 20 0 GIADLO O=C(CCCC1CCOCC1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000409684580 823282504 /nfs/dbraw/zinc/28/25/04/823282504.db2.gz IJIKADVQRBJCDZ-IBGZPJMESA-N 1 2 396.934 4.157 20 0 GIADLO O=C(CCCC1CCOCC1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000409684580 823282507 /nfs/dbraw/zinc/28/25/07/823282507.db2.gz IJIKADVQRBJCDZ-IBGZPJMESA-N 1 2 396.934 4.157 20 0 GIADLO Cc1cccc(COc2ccc(CNC(=O)NCCCCn3cc[nH+]c3)cc2)c1 ZINC000057376500 823284557 /nfs/dbraw/zinc/28/45/57/823284557.db2.gz FPMACXBFCUONLP-UHFFFAOYSA-N 1 2 392.503 4.050 20 0 GIADLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)[nH+]1 ZINC000007048307 817746726 /nfs/dbraw/zinc/74/67/26/817746726.db2.gz WQHLJTJTGDNVCU-CQSZACIVSA-N 1 2 380.473 4.279 20 0 GIADLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409707975 823287504 /nfs/dbraw/zinc/28/75/04/823287504.db2.gz VQUOKJPVXXQHRZ-HZPDHXFCSA-N 1 2 391.437 4.109 20 0 GIADLO CC(C)c1nnc(CNc2cc[nH+]c3c(Br)ccc(F)c23)s1 ZINC000409710611 823288252 /nfs/dbraw/zinc/28/82/52/823288252.db2.gz HJEDMUWAMYGTJI-UHFFFAOYSA-N 1 2 381.274 4.145 20 0 GIADLO COc1ccc(-c2nc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cs2)cc1 ZINC000007346791 817821832 /nfs/dbraw/zinc/82/18/32/817821832.db2.gz FHTLZHRIWLCKAP-UHFFFAOYSA-N 1 2 383.492 4.280 20 0 GIADLO COc1cccc(N2CC[NH+](Cc3c(C)nn(-c4ccccc4)c3Cl)CC2)c1 ZINC000007359914 817823620 /nfs/dbraw/zinc/82/36/20/817823620.db2.gz IAOCDSDLXHCWJR-UHFFFAOYSA-N 1 2 396.922 4.165 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1CCc2ccccc21 ZINC000409721213 823290732 /nfs/dbraw/zinc/29/07/32/823290732.db2.gz GGTPRUFNVDMIJI-LJQANCHMSA-N 1 2 389.524 4.370 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1CCc2ccccc21 ZINC000409721213 823290736 /nfs/dbraw/zinc/29/07/36/823290736.db2.gz GGTPRUFNVDMIJI-LJQANCHMSA-N 1 2 389.524 4.370 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N3CCSC4(CCOCC4)C3)c12 ZINC000409727255 823292213 /nfs/dbraw/zinc/29/22/13/823292213.db2.gz KNMHFEKWGSEQFF-UHFFFAOYSA-N 1 2 397.313 4.239 20 0 GIADLO Cc1c2ccccc2oc(=O)c1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000176790098 823293287 /nfs/dbraw/zinc/29/32/87/823293287.db2.gz INRQKYBSVSDBAY-ZDUSSCGKSA-N 1 2 397.500 4.042 20 0 GIADLO Cc1c2ccccc2oc(=O)c1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000176790098 823293295 /nfs/dbraw/zinc/29/32/95/823293295.db2.gz INRQKYBSVSDBAY-ZDUSSCGKSA-N 1 2 397.500 4.042 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000572169561 823294017 /nfs/dbraw/zinc/29/40/17/823294017.db2.gz YMOBNIGEOIRRQX-LJQANCHMSA-N 1 2 397.931 4.481 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2cc1OC(F)F ZINC000122023101 823294770 /nfs/dbraw/zinc/29/47/70/823294770.db2.gz YMPUQWOFICHCLW-UHFFFAOYSA-N 1 2 397.425 4.235 20 0 GIADLO O=C(CCSc1ccc(Cl)cc1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000409737655 823295813 /nfs/dbraw/zinc/29/58/13/823295813.db2.gz RWYVGMGJJLUQOX-UHFFFAOYSA-N 1 2 390.936 4.293 20 0 GIADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000122028894 823296149 /nfs/dbraw/zinc/29/61/49/823296149.db2.gz IXNRNWWTJNSTTA-RHSMWYFYSA-N 1 2 397.569 4.468 20 0 GIADLO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000122028894 823296151 /nfs/dbraw/zinc/29/61/51/823296151.db2.gz IXNRNWWTJNSTTA-RHSMWYFYSA-N 1 2 397.569 4.468 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2cccc3ccccc32)c(OC)c1 ZINC000007730338 817904230 /nfs/dbraw/zinc/90/42/30/817904230.db2.gz CAZCSJQHOAWPAT-KRWDZBQOSA-N 1 2 392.499 4.166 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2cccc3ccccc32)c(OC)c1 ZINC000007730338 817904232 /nfs/dbraw/zinc/90/42/32/817904232.db2.gz CAZCSJQHOAWPAT-KRWDZBQOSA-N 1 2 392.499 4.166 20 0 GIADLO CC(C)COc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000409775909 823304602 /nfs/dbraw/zinc/30/46/02/823304602.db2.gz QVMZAIYPPYDNEB-UHFFFAOYSA-N 1 2 382.439 4.368 20 0 GIADLO Cc1c(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)sc2ccc(Cl)cc12 ZINC000572228226 823304658 /nfs/dbraw/zinc/30/46/58/823304658.db2.gz NBYBIZKBUIEUTH-HNNXBMFYSA-N 1 2 388.924 4.434 20 0 GIADLO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008262400 818026485 /nfs/dbraw/zinc/02/64/85/818026485.db2.gz OBQGUWJZUKKDLK-INIZCTEOSA-N 1 2 393.512 4.317 20 0 GIADLO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008262400 818026489 /nfs/dbraw/zinc/02/64/89/818026489.db2.gz OBQGUWJZUKKDLK-INIZCTEOSA-N 1 2 393.512 4.317 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000011077290 818050463 /nfs/dbraw/zinc/05/04/63/818050463.db2.gz WMNKIGBBVBUGPI-UHFFFAOYSA-N 1 2 393.318 4.178 20 0 GIADLO Cc1cc(N2CCN(c3cc4ccccc4c(Cl)n3)CC2)nc(C(C)C)[nH+]1 ZINC000011380308 818077166 /nfs/dbraw/zinc/07/71/66/818077166.db2.gz FYDKHYBVTVZGQW-UHFFFAOYSA-N 1 2 381.911 4.437 20 0 GIADLO O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000011657851 818105739 /nfs/dbraw/zinc/10/57/39/818105739.db2.gz MFQCBDZUHIKGRT-PKNBQFBNSA-N 1 2 393.487 4.311 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1C ZINC000057606033 823313807 /nfs/dbraw/zinc/31/38/07/823313807.db2.gz FOSPHIYISYUJIQ-IBGZPJMESA-N 1 2 395.507 4.122 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2OC2CCCC2)c1C ZINC000057615935 823315162 /nfs/dbraw/zinc/31/51/62/823315162.db2.gz FTRTUSGHJPYIFP-UHFFFAOYSA-N 1 2 397.519 4.370 20 0 GIADLO COc1ccc([C@H](NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C2CC2)cc1 ZINC000057610345 823314350 /nfs/dbraw/zinc/31/43/50/823314350.db2.gz QSEFJUBUVZRAOC-HXUWFJFHSA-N 1 2 383.492 4.008 20 0 GIADLO COc1ccc([C@@H](NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C2CC2)cc1 ZINC000057610348 823314433 /nfs/dbraw/zinc/31/44/33/823314433.db2.gz QSEFJUBUVZRAOC-FQEVSTJZSA-N 1 2 383.492 4.008 20 0 GIADLO COc1cccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000012131936 818143844 /nfs/dbraw/zinc/14/38/44/818143844.db2.gz WJWVXSLTDGCFOR-UHFFFAOYSA-N 1 2 380.517 4.164 20 0 GIADLO COc1cccc(C[N@H+](C)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000012808846 818183209 /nfs/dbraw/zinc/18/32/09/818183209.db2.gz IBNBJCFFRZGNNB-UHFFFAOYSA-N 1 2 385.464 4.028 20 0 GIADLO COc1cccc(C[N@@H+](C)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000012808846 818183212 /nfs/dbraw/zinc/18/32/12/818183212.db2.gz IBNBJCFFRZGNNB-UHFFFAOYSA-N 1 2 385.464 4.028 20 0 GIADLO CC(C)C(=O)Nc1cccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)c1 ZINC000572322080 823319809 /nfs/dbraw/zinc/31/98/09/823319809.db2.gz JZVOPXHQJXRPMM-UHFFFAOYSA-N 1 2 387.443 4.243 20 0 GIADLO O=C(Nc1cccc(Br)c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000409837200 823321126 /nfs/dbraw/zinc/32/11/26/823321126.db2.gz SDPWFDOBCDKGBZ-KRWDZBQOSA-N 1 2 391.334 4.178 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)cc1 ZINC000014327904 818235941 /nfs/dbraw/zinc/23/59/41/818235941.db2.gz QGOVFWJKHUIHAC-UHFFFAOYSA-N 1 2 393.512 4.309 20 0 GIADLO CSc1ccccc1[C@@H](C)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000409842741 823322631 /nfs/dbraw/zinc/32/26/31/823322631.db2.gz FUIAOHKEMMZXPB-BZNIZROVSA-N 1 2 379.323 4.048 20 0 GIADLO CCc1ccc(-c2noc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)n2)cc1 ZINC000014729271 818262640 /nfs/dbraw/zinc/26/26/40/818262640.db2.gz XHGGDHBAEFRMPX-UHFFFAOYSA-N 1 2 375.472 4.394 20 0 GIADLO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000409846935 823324170 /nfs/dbraw/zinc/32/41/70/823324170.db2.gz VMCVJGOUSLOUGM-BDJLRTHQSA-N 1 2 379.323 4.048 20 0 GIADLO CC(C)C[C@H](C)OCCC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000122225364 823324173 /nfs/dbraw/zinc/32/41/73/823324173.db2.gz YNLOOUUNMFOUOW-GBESFXJTSA-N 1 2 376.541 4.076 20 0 GIADLO CC(C)C[C@H](C)OCCC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000122225364 823324179 /nfs/dbraw/zinc/32/41/79/823324179.db2.gz YNLOOUUNMFOUOW-GBESFXJTSA-N 1 2 376.541 4.076 20 0 GIADLO CCN(Cc1c[nH]c2ccccc12)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000188899285 823324965 /nfs/dbraw/zinc/32/49/65/823324965.db2.gz XWDOBOCQDLYQEB-UHFFFAOYSA-N 1 2 392.528 4.406 20 0 GIADLO Cc1cc(N2CCN(Cc3cc4ccccc4nc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000015032921 818285293 /nfs/dbraw/zinc/28/52/93/818285293.db2.gz QEMVGNJMTLCQMW-UHFFFAOYSA-N 1 2 395.938 4.432 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@@H+]2CCc3ccccc3C2)c2cccs2)cc1 ZINC000015375564 818319650 /nfs/dbraw/zinc/31/96/50/818319650.db2.gz DZCYEKHDUKWHLB-HSZRJFAPSA-N 1 2 376.525 4.320 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@H+]2CCc3ccccc3C2)c2cccs2)cc1 ZINC000015375564 818319654 /nfs/dbraw/zinc/31/96/54/818319654.db2.gz DZCYEKHDUKWHLB-HSZRJFAPSA-N 1 2 376.525 4.320 20 0 GIADLO COc1ccc2cc(C[N@H+](C)Cc3nc4ccc(Cl)cc4c(=O)[nH]3)ccc2c1 ZINC000015521243 818333784 /nfs/dbraw/zinc/33/37/84/818333784.db2.gz WIGXMWICKBIFMP-UHFFFAOYSA-N 1 2 393.874 4.370 20 0 GIADLO COc1ccc2cc(C[N@@H+](C)Cc3nc4ccc(Cl)cc4c(=O)[nH]3)ccc2c1 ZINC000015521243 818333792 /nfs/dbraw/zinc/33/37/92/818333792.db2.gz WIGXMWICKBIFMP-UHFFFAOYSA-N 1 2 393.874 4.370 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c2cccs2)cc1 ZINC000015521929 818333922 /nfs/dbraw/zinc/33/39/22/818333922.db2.gz ABEXZUJOYDHCNL-NFBKMPQASA-N 1 2 393.556 4.438 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c2cccs2)cc1 ZINC000015521929 818333927 /nfs/dbraw/zinc/33/39/27/818333927.db2.gz ABEXZUJOYDHCNL-NFBKMPQASA-N 1 2 393.556 4.438 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000015547819 818337182 /nfs/dbraw/zinc/33/71/82/818337182.db2.gz MCESMYZENMBWDT-GFCCVEGCSA-N 1 2 379.323 4.377 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000015547819 818337187 /nfs/dbraw/zinc/33/71/87/818337187.db2.gz MCESMYZENMBWDT-GFCCVEGCSA-N 1 2 379.323 4.377 20 0 GIADLO Cc1csc2nc(C[N@@H+]3CCc4sccc4[C@H]3c3cccs3)cc(=O)n12 ZINC000015548739 818337342 /nfs/dbraw/zinc/33/73/42/818337342.db2.gz IFLANRAOKRVROQ-SFHVURJKSA-N 1 2 399.566 4.335 20 0 GIADLO Cc1csc2nc(C[N@H+]3CCc4sccc4[C@H]3c3cccs3)cc(=O)n12 ZINC000015548739 818337348 /nfs/dbraw/zinc/33/73/48/818337348.db2.gz IFLANRAOKRVROQ-SFHVURJKSA-N 1 2 399.566 4.335 20 0 GIADLO C[C@H](O)[C@@H]([NH2+][C@@H]1CCc2c1c(Br)ccc2F)c1ccccc1F ZINC000572413717 823335015 /nfs/dbraw/zinc/33/50/15/823335015.db2.gz QGZZMPFBIYEOSW-FEMPBKKVSA-N 1 2 382.248 4.426 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C2(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000176959794 823335078 /nfs/dbraw/zinc/33/50/78/823335078.db2.gz OPLKPQNLFVBNES-OALUTQOASA-N 1 2 378.516 4.257 20 0 GIADLO c1ccc(C[NH+](Cc2nc(-c3ccc4n[nH]nc4c3)no2)Cc2ccccc2)cc1 ZINC000572430456 823337585 /nfs/dbraw/zinc/33/75/85/823337585.db2.gz ZJUAPCDRYYFIMJ-UHFFFAOYSA-N 1 2 396.454 4.210 20 0 GIADLO COc1cccc(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 ZINC000016356415 818428397 /nfs/dbraw/zinc/42/83/97/818428397.db2.gz WZZHZUQHDUJUBZ-UHFFFAOYSA-N 1 2 386.801 4.438 20 0 GIADLO COc1cccc(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 ZINC000016356415 818428400 /nfs/dbraw/zinc/42/84/00/818428400.db2.gz WZZHZUQHDUJUBZ-UHFFFAOYSA-N 1 2 386.801 4.438 20 0 GIADLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)[nH+]1 ZINC000017002043 818497063 /nfs/dbraw/zinc/49/70/63/818497063.db2.gz QXGWWISEIZXDFN-MRVPVSSYSA-N 1 2 390.818 4.159 20 0 GIADLO CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)Nc1ccc3[nH+]c(C)cn3c1)O[C@@H](C)C2 ZINC000409906204 823341143 /nfs/dbraw/zinc/34/11/43/823341143.db2.gz DNZSKIPMABBVOT-FNHZYXHNSA-N 1 2 391.471 4.107 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c2cccs2)cc1 ZINC000122376370 823346015 /nfs/dbraw/zinc/34/60/15/823346015.db2.gz XYGLYDXMFVXOQF-QHCPKHFHSA-N 1 2 391.540 4.322 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c2cccs2)cc1 ZINC000122376370 823346022 /nfs/dbraw/zinc/34/60/22/823346022.db2.gz XYGLYDXMFVXOQF-QHCPKHFHSA-N 1 2 391.540 4.322 20 0 GIADLO COc1ccc(-c2nc(CN3CC[NH+]([C@@H](C)c4ccccn4)CC3)cs2)cc1 ZINC000176999897 823346626 /nfs/dbraw/zinc/34/66/26/823346626.db2.gz WHCGNOKZKAXNGW-KRWDZBQOSA-N 1 2 394.544 4.093 20 0 GIADLO COc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000018905191 818580377 /nfs/dbraw/zinc/58/03/77/818580377.db2.gz DLUYDSBIFWQMFC-UHFFFAOYSA-N 1 2 381.501 4.198 20 0 GIADLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000018905191 818580385 /nfs/dbraw/zinc/58/03/85/818580385.db2.gz DLUYDSBIFWQMFC-UHFFFAOYSA-N 1 2 381.501 4.198 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)C[N@H+](Cc3ccncc3)C3CC3)c2)cs1 ZINC000122390343 823347905 /nfs/dbraw/zinc/34/79/05/823347905.db2.gz HXCUKFYDMWKVGJ-UHFFFAOYSA-N 1 2 378.501 4.117 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)C[N@@H+](Cc3ccncc3)C3CC3)c2)cs1 ZINC000122390343 823347913 /nfs/dbraw/zinc/34/79/13/823347913.db2.gz HXCUKFYDMWKVGJ-UHFFFAOYSA-N 1 2 378.501 4.117 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(SC)c3)CC2)s1 ZINC000020542142 818624670 /nfs/dbraw/zinc/62/46/70/818624670.db2.gz RIBZTSRDSLCWES-UHFFFAOYSA-N 1 2 375.563 4.382 20 0 GIADLO Cn1c2ccccc2c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)sc21 ZINC000021005061 818647078 /nfs/dbraw/zinc/64/70/78/818647078.db2.gz MKLIEASJOKRCBD-UHFFFAOYSA-N 1 2 389.524 4.351 20 0 GIADLO COc1ccc(NC(=O)[C@H]([NH2+][C@@H](C)c2cn[nH]c2)c2ccccc2)cc1Cl ZINC000460342766 823358965 /nfs/dbraw/zinc/35/89/65/823358965.db2.gz JIMQJZGFCPJEJP-ORAYPTAESA-N 1 2 384.867 4.102 20 0 GIADLO Fc1ccc(-c2nc(C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)no2)c(F)c1 ZINC000189110853 823359191 /nfs/dbraw/zinc/35/91/91/823359191.db2.gz DIRIVKGHTFFJDV-UHFFFAOYSA-N 1 2 395.413 4.271 20 0 GIADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)cc1 ZINC000022243161 818785425 /nfs/dbraw/zinc/78/54/25/818785425.db2.gz NLKRMOXRKAPSOR-UHFFFAOYSA-N 1 2 395.528 4.485 20 0 GIADLO C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022288809 818790274 /nfs/dbraw/zinc/79/02/74/818790274.db2.gz AMACSARLJZWFEX-CYBMUJFWSA-N 1 2 379.913 4.188 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)Cc3ccc(OC(F)F)cc3)n2)CC1 ZINC000022291833 818790813 /nfs/dbraw/zinc/79/08/13/818790813.db2.gz MCOVVGFVIMXNRC-UHFFFAOYSA-N 1 2 395.475 4.158 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)C(C)(C)Oc3ccc(F)cc3)n2)CC1 ZINC000022291651 818790876 /nfs/dbraw/zinc/79/08/76/818790876.db2.gz KCIKEWAVIYYCQC-UHFFFAOYSA-N 1 2 391.512 4.310 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3c[nH]nc3-c3ccccc3)n2)CC1 ZINC000022292283 818791412 /nfs/dbraw/zinc/79/14/12/818791412.db2.gz XWBLSGKIEWUTSJ-UHFFFAOYSA-N 1 2 381.505 4.017 20 0 GIADLO Cc1nc(-c2ccc(CCNC(=O)Nc3ccn4cc[nH+]c4c3)s2)cs1 ZINC000572566561 823361865 /nfs/dbraw/zinc/36/18/65/823361865.db2.gz RDSUBCSLEWUSQE-UHFFFAOYSA-N 1 2 383.502 4.192 20 0 GIADLO COc1ccc(-c2nn(C[N@H+](C)[C@H]3CCc4ccccc43)c(=S)n2C)cc1 ZINC000022758346 818856880 /nfs/dbraw/zinc/85/68/80/818856880.db2.gz VLLRNDCGQUDGGN-IBGZPJMESA-N 1 2 380.517 4.203 20 0 GIADLO COc1ccc(-c2nn(C[N@@H+](C)[C@H]3CCc4ccccc43)c(=S)n2C)cc1 ZINC000022758346 818856888 /nfs/dbraw/zinc/85/68/88/818856888.db2.gz VLLRNDCGQUDGGN-IBGZPJMESA-N 1 2 380.517 4.203 20 0 GIADLO Clc1ccc(-c2nnc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)o2)cc1 ZINC000022773319 818858930 /nfs/dbraw/zinc/85/89/30/818858930.db2.gz MRQJTJKIFJEZGX-QPJJXVBHSA-N 1 2 394.906 4.221 20 0 GIADLO C[C@@H]1CC(CCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C[C@@H](C)O1 ZINC000572620619 823370447 /nfs/dbraw/zinc/37/04/47/823370447.db2.gz PRSGOZOLLGJCLM-FTIBCMOBSA-N 1 2 396.535 4.005 20 0 GIADLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2ncoc2-c2ccccc2)cc1 ZINC000572631764 823371935 /nfs/dbraw/zinc/37/19/35/823371935.db2.gz FWEIDQNPHSOJPQ-UHFFFAOYSA-N 1 2 398.528 4.203 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nc(-c2ccccc2F)no1 ZINC000189186986 823372521 /nfs/dbraw/zinc/37/25/21/823372521.db2.gz HGSQHXXGULFJLS-SNVBAGLBSA-N 1 2 397.376 4.102 20 0 GIADLO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)Cc2cccc(Cl)c2Cl)c1 ZINC000023408479 818935425 /nfs/dbraw/zinc/93/54/25/818935425.db2.gz BYPVXNAPVPNMJZ-INIZCTEOSA-N 1 2 382.287 4.068 20 0 GIADLO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)Cc2cccc(Cl)c2Cl)c1 ZINC000023408479 818935432 /nfs/dbraw/zinc/93/54/32/818935432.db2.gz BYPVXNAPVPNMJZ-INIZCTEOSA-N 1 2 382.287 4.068 20 0 GIADLO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(-n2cccn2)c(F)c1 ZINC000572666166 823378639 /nfs/dbraw/zinc/37/86/39/823378639.db2.gz XQZHQFQOCXKFFS-GFCCVEGCSA-N 1 2 397.841 4.164 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000023667687 818971941 /nfs/dbraw/zinc/97/19/41/818971941.db2.gz KXDIPCIPWKBSPA-OAHLLOKOSA-N 1 2 398.457 4.399 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000023667687 818971948 /nfs/dbraw/zinc/97/19/48/818971948.db2.gz KXDIPCIPWKBSPA-OAHLLOKOSA-N 1 2 398.457 4.399 20 0 GIADLO CCCc1cc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)sc1C ZINC000024218474 819035560 /nfs/dbraw/zinc/03/55/60/819035560.db2.gz PFRVNWYYFGRPHD-UHFFFAOYSA-N 1 2 386.565 4.193 20 0 GIADLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1OCC ZINC000024250460 819039458 /nfs/dbraw/zinc/03/94/58/819039458.db2.gz QPGPGXFKNIFTGC-CQSZACIVSA-N 1 2 392.446 4.394 20 0 GIADLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1OCC ZINC000024250460 819039465 /nfs/dbraw/zinc/03/94/65/819039465.db2.gz QPGPGXFKNIFTGC-CQSZACIVSA-N 1 2 392.446 4.394 20 0 GIADLO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c2ccccc2n1 ZINC000024394177 819054550 /nfs/dbraw/zinc/05/45/50/819054550.db2.gz LAGQYJVYUIHPAE-UHFFFAOYSA-N 1 2 379.529 4.378 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2cccc3cccnc32)C[C@H](C)O1 ZINC000058424989 823389505 /nfs/dbraw/zinc/38/95/05/823389505.db2.gz PNBHIUBKYVTCFQ-HDICACEKSA-N 1 2 389.499 4.025 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2cccc3cccnc32)C[C@H](C)O1 ZINC000058424989 823389517 /nfs/dbraw/zinc/38/95/17/823389517.db2.gz PNBHIUBKYVTCFQ-HDICACEKSA-N 1 2 389.499 4.025 20 0 GIADLO COC1CCN(c2ccc(Nc3cc(C)[nH+]c(C)n3)cc2C(F)(F)F)CC1 ZINC000189337823 823396709 /nfs/dbraw/zinc/39/67/09/823396709.db2.gz RURDXPFDARVBKN-UHFFFAOYSA-N 1 2 380.414 4.471 20 0 GIADLO CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000572806852 823402803 /nfs/dbraw/zinc/40/28/03/823402803.db2.gz ZBCFFBZQZMVFMU-GOSISDBHSA-N 1 2 377.488 4.092 20 0 GIADLO CCN(c1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1)C(C)C ZINC000058530852 823404595 /nfs/dbraw/zinc/40/45/95/823404595.db2.gz SNFROOMKPSPMJO-UHFFFAOYSA-N 1 2 381.524 4.107 20 0 GIADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000572828664 823406327 /nfs/dbraw/zinc/40/63/27/823406327.db2.gz XADJQZHECCCXPV-CKEIUWERSA-N 1 2 393.560 4.376 20 0 GIADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000572828664 823406330 /nfs/dbraw/zinc/40/63/30/823406330.db2.gz XADJQZHECCCXPV-CKEIUWERSA-N 1 2 393.560 4.376 20 0 GIADLO Cc1ccc2cccc(-c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)c2n1 ZINC000122760956 823407589 /nfs/dbraw/zinc/40/75/89/823407589.db2.gz LHERMBKFMBCUFN-UHFFFAOYSA-N 1 2 386.455 4.092 20 0 GIADLO COc1cc2c(cc1Cl)CN(C(=O)c1cc(C)ccc1-n1cc[nH+]c1)CC2 ZINC000572875817 823412617 /nfs/dbraw/zinc/41/26/17/823412617.db2.gz DBFSINYLHRKOEA-UHFFFAOYSA-N 1 2 381.863 4.041 20 0 GIADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2nc(Cc3ccccc3)no2)CC1 ZINC000058563291 823410089 /nfs/dbraw/zinc/41/00/89/823410089.db2.gz RYKMOBJTDNGPJP-QGZVFWFLSA-N 1 2 396.922 4.193 20 0 GIADLO COc1cc(C[N@H+](C)Cc2ccccc2Br)cc(OC)c1OC ZINC000122802340 823414637 /nfs/dbraw/zinc/41/46/37/823414637.db2.gz HDOFMCZVOFUAME-UHFFFAOYSA-N 1 2 380.282 4.107 20 0 GIADLO COc1cc(C[N@@H+](C)Cc2ccccc2Br)cc(OC)c1OC ZINC000122802340 823414642 /nfs/dbraw/zinc/41/46/42/823414642.db2.gz HDOFMCZVOFUAME-UHFFFAOYSA-N 1 2 380.282 4.107 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccccc2N2CCCCC2)c1C ZINC000058605348 823415663 /nfs/dbraw/zinc/41/56/63/823415663.db2.gz OASCZCOOJJNQHK-UHFFFAOYSA-N 1 2 382.508 4.361 20 0 GIADLO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC(F)(F)c2ccc(F)cc2)cc1 ZINC000572900699 823416893 /nfs/dbraw/zinc/41/68/93/823416893.db2.gz OIACLXFZOBBWFN-ZDUSSCGKSA-N 1 2 386.439 4.030 20 0 GIADLO C[C@H]1CCN(C(=O)CSc2cc(Cl)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000122814493 823417016 /nfs/dbraw/zinc/41/70/16/823417016.db2.gz VXIPKVWAOLHJTH-WFASDCNBSA-N 1 2 384.332 4.392 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(F)cc2Br)c1C ZINC000058625448 823419306 /nfs/dbraw/zinc/41/93/06/823419306.db2.gz HIMKPEWLBAFAER-UHFFFAOYSA-N 1 2 396.260 4.273 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C(C)C ZINC000122815932 823417368 /nfs/dbraw/zinc/41/73/68/823417368.db2.gz VBCZLXNMOWILPA-QGZVFWFLSA-N 1 2 385.508 4.199 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1C ZINC000058620244 823418140 /nfs/dbraw/zinc/41/81/40/823418140.db2.gz AIDFGMFSXXCXAY-UHFFFAOYSA-N 1 2 380.448 4.390 20 0 GIADLO CCCCOC(=O)c1ccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000058623372 823418682 /nfs/dbraw/zinc/41/86/82/823418682.db2.gz ICPIGFVXJHALDO-UHFFFAOYSA-N 1 2 399.491 4.328 20 0 GIADLO Cc1cc([C@@H](NC(=O)N2CCn3c[nH+]cc3C2)c2ccccc2Cl)ccc1F ZINC000460527827 823420286 /nfs/dbraw/zinc/42/02/86/823420286.db2.gz YWSGHGMZKKCJLN-HXUWFJFHSA-N 1 2 398.869 4.299 20 0 GIADLO CSc1ccc([C@H](C)NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1 ZINC000410246865 823433012 /nfs/dbraw/zinc/43/30/12/823433012.db2.gz ODYKQOYMHHJYGA-HNNXBMFYSA-N 1 2 392.528 4.032 20 0 GIADLO Cc1nc(-c2cccs2)sc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000024622168 819855899 /nfs/dbraw/zinc/85/58/99/819855899.db2.gz NKWVYLQLHJFGLA-UHFFFAOYSA-N 1 2 397.569 4.181 20 0 GIADLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)[nH+]1 ZINC000024840983 819882902 /nfs/dbraw/zinc/88/29/02/819882902.db2.gz BTMPJNHUIBJABG-ZETCQYMHSA-N 1 2 391.711 4.447 20 0 GIADLO O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410255856 823436081 /nfs/dbraw/zinc/43/60/81/823436081.db2.gz LCDFIIQYIZLQAV-BZUAXINKSA-N 1 2 383.458 4.294 20 0 GIADLO CC(C)c1ccc(OCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410257354 823436842 /nfs/dbraw/zinc/43/68/42/823436842.db2.gz NCCQXRWZPGAEQR-IBGZPJMESA-N 1 2 381.520 4.128 20 0 GIADLO CC(C)c1noc2ncc(C(=O)Nc3nc(C[NH+]4CCC(C)CC4)cs3)cc21 ZINC000025011803 819908817 /nfs/dbraw/zinc/90/88/17/819908817.db2.gz QOUPSALWVCWKEL-UHFFFAOYSA-N 1 2 399.520 4.287 20 0 GIADLO CC(C)c1cccc(OCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410261334 823438533 /nfs/dbraw/zinc/43/85/33/823438533.db2.gz XRYYGCITWHKJBW-LJQANCHMSA-N 1 2 381.520 4.128 20 0 GIADLO COc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025242580 819948629 /nfs/dbraw/zinc/94/86/29/819948629.db2.gz ULBSSRKWAFVICO-CYBMUJFWSA-N 1 2 382.382 4.053 20 0 GIADLO COc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025242580 819948632 /nfs/dbraw/zinc/94/86/32/819948632.db2.gz ULBSSRKWAFVICO-CYBMUJFWSA-N 1 2 382.382 4.053 20 0 GIADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253132 819950420 /nfs/dbraw/zinc/95/04/20/819950420.db2.gz LMYLTLFBNXGMPO-NSHDSACASA-N 1 2 388.336 4.322 20 0 GIADLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253132 819950425 /nfs/dbraw/zinc/95/04/25/819950425.db2.gz LMYLTLFBNXGMPO-NSHDSACASA-N 1 2 388.336 4.322 20 0 GIADLO COc1ccccc1-c1nc(C2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)no1 ZINC000189568375 823446215 /nfs/dbraw/zinc/44/62/15/823446215.db2.gz YNTKLXLSAPBBPB-UHFFFAOYSA-N 1 2 391.475 4.105 20 0 GIADLO COc1cnccc1[C@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000189551831 823442331 /nfs/dbraw/zinc/44/23/31/823442331.db2.gz FYGQJUCQARVPBB-LBPRGKRZSA-N 1 2 387.281 4.094 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000025416745 819977955 /nfs/dbraw/zinc/97/79/55/819977955.db2.gz XYJNWKZPRZTLEI-NRFANRHFSA-N 1 2 381.863 4.061 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000025443901 819981548 /nfs/dbraw/zinc/98/15/48/819981548.db2.gz BUWJLTMCFKNIMC-NRFANRHFSA-N 1 2 392.478 4.404 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000025443901 819981554 /nfs/dbraw/zinc/98/15/54/819981554.db2.gz BUWJLTMCFKNIMC-NRFANRHFSA-N 1 2 392.478 4.404 20 0 GIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C(C)(F)F)nc2)c(C)c1 ZINC000573071018 823443551 /nfs/dbraw/zinc/44/35/51/823443551.db2.gz AVLWLDXELFROOV-GOSISDBHSA-N 1 2 384.430 4.178 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025534051 819998467 /nfs/dbraw/zinc/99/84/67/819998467.db2.gz UVOUXRMFJUNKGE-CQSZACIVSA-N 1 2 396.409 4.361 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025534051 819998476 /nfs/dbraw/zinc/99/84/76/819998476.db2.gz UVOUXRMFJUNKGE-CQSZACIVSA-N 1 2 396.409 4.361 20 0 GIADLO CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410276635 823445090 /nfs/dbraw/zinc/44/50/90/823445090.db2.gz RCYBGDVAZVZGBC-FXAWDEMLSA-N 1 2 383.561 4.496 20 0 GIADLO CCc1ccc(C(C)(C)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410282849 823447662 /nfs/dbraw/zinc/44/76/62/823447662.db2.gz PNPFUVIFFVOUCI-LJQANCHMSA-N 1 2 379.548 4.466 20 0 GIADLO C[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)s1 ZINC000410283627 823448273 /nfs/dbraw/zinc/44/82/73/823448273.db2.gz SYYCTSZVFTXUKH-UONOGXRCSA-N 1 2 377.941 4.444 20 0 GIADLO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026000552 820048377 /nfs/dbraw/zinc/04/83/77/820048377.db2.gz BHSVTDQAVRKKSU-KRWDZBQOSA-N 1 2 381.520 4.063 20 0 GIADLO O=C(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410285044 823448832 /nfs/dbraw/zinc/44/88/32/823448832.db2.gz XOOMVGRBAAHSDF-OAHLLOKOSA-N 1 2 393.409 4.138 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)cc1 ZINC000026167393 820066011 /nfs/dbraw/zinc/06/60/11/820066011.db2.gz JFCFDAYXFDZAQR-AWEZNQCLSA-N 1 2 380.444 4.103 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)cc1 ZINC000026167393 820066020 /nfs/dbraw/zinc/06/60/20/820066020.db2.gz JFCFDAYXFDZAQR-AWEZNQCLSA-N 1 2 380.444 4.103 20 0 GIADLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)Cc1ccccc1Cl ZINC000026215987 820070436 /nfs/dbraw/zinc/07/04/36/820070436.db2.gz OWJYPYCHYYONHA-CQSZACIVSA-N 1 2 387.936 4.429 20 0 GIADLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)Cc1ccccc1Cl ZINC000026215987 820070446 /nfs/dbraw/zinc/07/04/46/820070446.db2.gz OWJYPYCHYYONHA-CQSZACIVSA-N 1 2 387.936 4.429 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N(Cc1ccco1)Cc1cccs1 ZINC000026303303 820080078 /nfs/dbraw/zinc/08/00/78/820080078.db2.gz WCIHMGKAFKMYCB-UHFFFAOYSA-N 1 2 396.516 4.248 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)c(OC)c1 ZINC000026324071 820083142 /nfs/dbraw/zinc/08/31/42/820083142.db2.gz PYXYGYWBCQSQTA-HOTGVXAUSA-N 1 2 396.487 4.148 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)c(OC)c1 ZINC000026324071 820083160 /nfs/dbraw/zinc/08/31/60/820083160.db2.gz PYXYGYWBCQSQTA-HOTGVXAUSA-N 1 2 396.487 4.148 20 0 GIADLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c(OC)c1 ZINC000026323594 820083182 /nfs/dbraw/zinc/08/31/82/820083182.db2.gz LLRVIUSYXXVZAG-HNNXBMFYSA-N 1 2 390.911 4.433 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)c(OC)c1 ZINC000026323594 820083192 /nfs/dbraw/zinc/08/31/92/820083192.db2.gz LLRVIUSYXXVZAG-HNNXBMFYSA-N 1 2 390.911 4.433 20 0 GIADLO O=C(C[C@H]1CCCc2ccccc21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292303 823452051 /nfs/dbraw/zinc/45/20/51/823452051.db2.gz SOXMKJWVRFRYQZ-WOJBJXKFSA-N 1 2 377.532 4.436 20 0 GIADLO O=C(c1ccccc1OCC1CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292544 823452156 /nfs/dbraw/zinc/45/21/56/823452156.db2.gz RHUFYVMDDZJVQQ-SFHVURJKSA-N 1 2 379.504 4.028 20 0 GIADLO Cc1sc(-c2ccco2)nc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410310654 823459300 /nfs/dbraw/zinc/45/93/00/823459300.db2.gz NECYYAQLDKDSFI-UHFFFAOYSA-N 1 2 396.516 4.417 20 0 GIADLO COC(=O)c1cccc(C[N@H+](Cc2cc(Br)ccc2F)C(C)C)n1 ZINC000573171826 823459819 /nfs/dbraw/zinc/45/98/19/823459819.db2.gz KYZFOQGUZWLCHH-UHFFFAOYSA-N 1 2 395.272 4.180 20 0 GIADLO COC(=O)c1cccc(C[N@@H+](Cc2cc(Br)ccc2F)C(C)C)n1 ZINC000573171826 823459822 /nfs/dbraw/zinc/45/98/22/823459822.db2.gz KYZFOQGUZWLCHH-UHFFFAOYSA-N 1 2 395.272 4.180 20 0 GIADLO CCCC[N@H+](CC)Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S ZINC000026636498 820125554 /nfs/dbraw/zinc/12/55/54/820125554.db2.gz CLRQPDWQPVTUDV-UHFFFAOYSA-N 1 2 387.553 4.319 20 0 GIADLO CCCC[N@@H+](CC)Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S ZINC000026636498 820125560 /nfs/dbraw/zinc/12/55/60/820125560.db2.gz CLRQPDWQPVTUDV-UHFFFAOYSA-N 1 2 387.553 4.319 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3c(C)cccc3C)CC2)c(C)c1 ZINC000026638630 820125609 /nfs/dbraw/zinc/12/56/09/820125609.db2.gz VBKYSOUZZBALRP-UHFFFAOYSA-N 1 2 378.516 4.454 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cccc(F)c3)CC2)c(C)c1 ZINC000026643201 820127322 /nfs/dbraw/zinc/12/73/22/820127322.db2.gz DVEHATMUPSZDFQ-QGZVFWFLSA-N 1 2 382.479 4.364 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1)Nc1c(F)cccc1F ZINC000026672984 820130851 /nfs/dbraw/zinc/13/08/51/820130851.db2.gz ROUWYQDGLWSUCW-AWEZNQCLSA-N 1 2 380.822 4.100 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1)Nc1c(F)cccc1F ZINC000026672984 820130858 /nfs/dbraw/zinc/13/08/58/820130858.db2.gz ROUWYQDGLWSUCW-AWEZNQCLSA-N 1 2 380.822 4.100 20 0 GIADLO C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410311492 823459764 /nfs/dbraw/zinc/45/97/64/823459764.db2.gz FHCUCNIUWRVPTJ-INIZCTEOSA-N 1 2 387.911 4.199 20 0 GIADLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000026759011 820140579 /nfs/dbraw/zinc/14/05/79/820140579.db2.gz GTJCUSSZURIHAB-CYBMUJFWSA-N 1 2 381.530 4.184 20 0 GIADLO O=C(CO[C@H]1CCCc2ccccc21)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410301866 823456288 /nfs/dbraw/zinc/45/62/88/823456288.db2.gz BGPWUULVRYLRRO-UGKGYDQZSA-N 1 2 393.531 4.020 20 0 GIADLO CCOc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1Cl ZINC000058810989 823456654 /nfs/dbraw/zinc/45/66/54/823456654.db2.gz DQCJHHSBSAAHLM-LJQANCHMSA-N 1 2 390.936 4.467 20 0 GIADLO COc1ccc(NC(=O)[C@H]([NH2+]Cc2cc(F)cc(F)c2)c2ccccc2)cc1 ZINC000026996423 820176303 /nfs/dbraw/zinc/17/63/03/820176303.db2.gz MCLZQQZLLLCLFG-OAQYLSRUSA-N 1 2 382.410 4.443 20 0 GIADLO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(-c2cccnc2)cc1 ZINC000177440415 823462518 /nfs/dbraw/zinc/46/25/18/823462518.db2.gz NCRZLEYEYXGYLW-SFHVURJKSA-N 1 2 397.482 4.495 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(C2CC2)nc2ccccc21 ZINC000027544830 820258519 /nfs/dbraw/zinc/25/85/19/820258519.db2.gz XFXHBEBLODYFIR-UHFFFAOYSA-N 1 2 382.467 4.287 20 0 GIADLO C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000573252754 823471123 /nfs/dbraw/zinc/47/11/23/823471123.db2.gz HBRIGBONVYIIPO-DOTOQJQBSA-N 1 2 379.435 4.254 20 0 GIADLO CCc1ccc([C@H](C)NC(=O)C[N@H+](Cc2cc(OC)ccc2OC)C2CC2)cc1 ZINC000027603898 820266135 /nfs/dbraw/zinc/26/61/35/820266135.db2.gz VRWCOOLZOOHNQX-KRWDZBQOSA-N 1 2 396.531 4.108 20 0 GIADLO CCc1ccc([C@H](C)NC(=O)C[N@@H+](Cc2cc(OC)ccc2OC)C2CC2)cc1 ZINC000027603898 820266145 /nfs/dbraw/zinc/26/61/45/820266145.db2.gz VRWCOOLZOOHNQX-KRWDZBQOSA-N 1 2 396.531 4.108 20 0 GIADLO COc1ccc(C[N@H+](Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027651516 820271602 /nfs/dbraw/zinc/27/16/02/820271602.db2.gz ANCCADQVQNKXQD-NRFANRHFSA-N 1 2 387.545 4.008 20 0 GIADLO COc1ccc(C[N@@H+](Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027651516 820271609 /nfs/dbraw/zinc/27/16/09/820271609.db2.gz ANCCADQVQNKXQD-NRFANRHFSA-N 1 2 387.545 4.008 20 0 GIADLO COc1ccc(NC(=O)[C@H]([NH2+]Cc2cc(C)ccc2OC)c2ccccc2)cc1 ZINC000028374642 820329963 /nfs/dbraw/zinc/32/99/63/820329963.db2.gz KUFBWTPCBWTWJR-HSZRJFAPSA-N 1 2 390.483 4.482 20 0 GIADLO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2cc(C)ccc2OC)c2ccccc2)cc1 ZINC000028374635 820330163 /nfs/dbraw/zinc/33/01/63/820330163.db2.gz KUFBWTPCBWTWJR-QHCPKHFHSA-N 1 2 390.483 4.482 20 0 GIADLO N#Cc1ccccc1/C=C/C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000028416259 820334997 /nfs/dbraw/zinc/33/49/97/820334997.db2.gz FNLLWPHSZBLDSW-CTDFXDFQSA-N 1 2 397.881 4.317 20 0 GIADLO COc1ccc(C[C@@H](C)CN(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000123161978 823472234 /nfs/dbraw/zinc/47/22/34/823472234.db2.gz JWESVOZZDCRDCU-GOSISDBHSA-N 1 2 377.488 4.140 20 0 GIADLO CCSCc1cc[nH+]c(NCc2cn3ccc(Br)cc3n2)c1 ZINC000573261229 823472557 /nfs/dbraw/zinc/47/25/57/823472557.db2.gz MBQFSWDBEFMWRZ-UHFFFAOYSA-N 1 2 377.311 4.357 20 0 GIADLO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000028695093 820352450 /nfs/dbraw/zinc/35/24/50/820352450.db2.gz CEEWTPRRPSXDRV-SFHVURJKSA-N 1 2 391.515 4.313 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000028695820 820352472 /nfs/dbraw/zinc/35/24/72/820352472.db2.gz NFGYKDCBQHQQNI-UHFFFAOYSA-N 1 2 392.846 4.170 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)/C=C/c3ccc(Cl)s3)CC2)cc1 ZINC000028733053 820354047 /nfs/dbraw/zinc/35/40/47/820354047.db2.gz XLDHGLQJYADWEM-CSKARUKUSA-N 1 2 390.936 4.158 20 0 GIADLO CC[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(Cl)s1 ZINC000029054658 820387962 /nfs/dbraw/zinc/38/79/62/820387962.db2.gz NSMNRQNOHYVPIZ-UHFFFAOYSA-N 1 2 388.718 4.020 20 0 GIADLO CC[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(Cl)s1 ZINC000029054658 820387970 /nfs/dbraw/zinc/38/79/70/820387970.db2.gz NSMNRQNOHYVPIZ-UHFFFAOYSA-N 1 2 388.718 4.020 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCOc2ccc(Cl)cc2Cl)c1C ZINC000058956800 823475659 /nfs/dbraw/zinc/47/56/59/823475659.db2.gz VCBFEKBAWHYJBU-UHFFFAOYSA-N 1 2 397.302 4.441 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c1C ZINC000058956716 823475714 /nfs/dbraw/zinc/47/57/14/823475714.db2.gz GBTNOCJCARDJOV-ZDUSSCGKSA-N 1 2 397.302 4.440 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/c2ccccc2OC(F)(F)F)c1C ZINC000058956876 823475969 /nfs/dbraw/zinc/47/59/69/823475969.db2.gz UCFOORNMFTXOLQ-MDZDMXLPSA-N 1 2 394.393 4.277 20 0 GIADLO C[N@H+](CCOc1ccccc1Cl)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000029154612 820401503 /nfs/dbraw/zinc/40/15/03/820401503.db2.gz YDFKIVFRDGRDPV-UHFFFAOYSA-N 1 2 383.835 4.246 20 0 GIADLO C[N@@H+](CCOc1ccccc1Cl)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000029154612 820401507 /nfs/dbraw/zinc/40/15/07/820401507.db2.gz YDFKIVFRDGRDPV-UHFFFAOYSA-N 1 2 383.835 4.246 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(COc3ccc(F)cc3)o2)c1C ZINC000058958643 823476326 /nfs/dbraw/zinc/47/63/26/823476326.db2.gz QHRKYIOQBQEHPA-UHFFFAOYSA-N 1 2 398.434 4.290 20 0 GIADLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CCCCC2)cc1OCC ZINC000189734600 823484141 /nfs/dbraw/zinc/48/41/41/823484141.db2.gz HVYDVWWMUSMMAW-CVEARBPZSA-N 1 2 387.528 4.388 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cncc(Br)c2)c(OC)c1 ZINC000029706910 820502627 /nfs/dbraw/zinc/50/26/27/820502627.db2.gz BQLJNEFVCGCKPN-QGZVFWFLSA-N 1 2 377.282 4.198 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2Cc2cncc(Br)c2)c(OC)c1 ZINC000029706910 820502631 /nfs/dbraw/zinc/50/26/31/820502631.db2.gz BQLJNEFVCGCKPN-QGZVFWFLSA-N 1 2 377.282 4.198 20 0 GIADLO Fc1ccc([C@@H]2C[C@@H]2c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)c(F)c1 ZINC000573363347 823484683 /nfs/dbraw/zinc/48/46/83/823484683.db2.gz GQBJCDMSJNPNIT-OALUTQOASA-N 1 2 397.425 4.118 20 0 GIADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827669 820526390 /nfs/dbraw/zinc/52/63/90/820526390.db2.gz RJLKRXJKUPGZTD-NVXWUHKLSA-N 1 2 391.471 4.237 20 0 GIADLO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827669 820526396 /nfs/dbraw/zinc/52/63/96/820526396.db2.gz RJLKRXJKUPGZTD-NVXWUHKLSA-N 1 2 391.471 4.237 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C(F)(F)F)nc3)n2)C1 ZINC000029838694 820529357 /nfs/dbraw/zinc/52/93/57/820529357.db2.gz OFLJADYEDPGQEU-NSHDSACASA-N 1 2 384.427 4.041 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C(F)(F)F)nc3)n2)C1 ZINC000029838694 820529360 /nfs/dbraw/zinc/52/93/60/820529360.db2.gz OFLJADYEDPGQEU-NSHDSACASA-N 1 2 384.427 4.041 20 0 GIADLO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029912285 820546669 /nfs/dbraw/zinc/54/66/69/820546669.db2.gz IHMNIUMQNONITF-UHFFFAOYSA-N 1 2 382.489 4.479 20 0 GIADLO CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc(-n3cc[nH+]c3)cc1)O[C@@H](C)C2 ZINC000029918400 820548232 /nfs/dbraw/zinc/54/82/32/820548232.db2.gz OKAIVYIYKPFARB-UFNQUYMESA-N 1 2 389.455 4.246 20 0 GIADLO O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000410403972 823488350 /nfs/dbraw/zinc/48/83/50/823488350.db2.gz YEJCYJNVYLZXGQ-UHFFFAOYSA-N 1 2 393.340 4.264 20 0 GIADLO COc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1OCCC(C)C ZINC000123272063 823488683 /nfs/dbraw/zinc/48/86/83/823488683.db2.gz NFXGGLXGCYSZGN-MJGOQNOKSA-N 1 2 385.508 4.040 20 0 GIADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000030004305 820566580 /nfs/dbraw/zinc/56/65/80/820566580.db2.gz ZHEWWKNSLOYPTB-ZDUSSCGKSA-N 1 2 382.323 4.046 20 0 GIADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000030004305 820566585 /nfs/dbraw/zinc/56/65/85/820566585.db2.gz ZHEWWKNSLOYPTB-ZDUSSCGKSA-N 1 2 382.323 4.046 20 0 GIADLO Cc1ccc2c(C[N@@H+](C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc2c1C ZINC000030004418 820566801 /nfs/dbraw/zinc/56/68/01/820566801.db2.gz BJHKLCCIXPQGNC-MRXNPFEDSA-N 1 2 399.512 4.006 20 0 GIADLO Cc1ccc2c(C[N@H+](C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc2c1C ZINC000030004418 820566808 /nfs/dbraw/zinc/56/68/08/820566808.db2.gz BJHKLCCIXPQGNC-MRXNPFEDSA-N 1 2 399.512 4.006 20 0 GIADLO Cc1nc(-c2ccccc2)c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000030011727 820568956 /nfs/dbraw/zinc/56/89/56/820568956.db2.gz YTJWRWUHQMXEQN-UHFFFAOYSA-N 1 2 378.501 4.044 20 0 GIADLO O=C(c1cccnc1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030180955 820585090 /nfs/dbraw/zinc/58/50/90/820585090.db2.gz MBFUTSWSIMYKKV-UHFFFAOYSA-N 1 2 397.931 4.422 20 0 GIADLO COc1cc(C[NH2+][C@@H](COCC(C)C)c2ccco2)cc(Br)c1O ZINC000177557023 823490200 /nfs/dbraw/zinc/49/02/00/823490200.db2.gz ZBXDPKUNRGIOIM-HNNXBMFYSA-N 1 2 398.297 4.260 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1Cl)Nc1ccccc1N1CCCC1=O ZINC000059390427 823494990 /nfs/dbraw/zinc/49/49/90/823494990.db2.gz AMQQUEAEYGAETK-LJQANCHMSA-N 1 2 397.906 4.242 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1Cl)Nc1ccccc1N1CCCC1=O ZINC000059390427 823494995 /nfs/dbraw/zinc/49/49/95/823494995.db2.gz AMQQUEAEYGAETK-LJQANCHMSA-N 1 2 397.906 4.242 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccc3c(c2)CCCC3)C[C@H](C)O1 ZINC000059308586 823491083 /nfs/dbraw/zinc/49/10/83/823491083.db2.gz NXDGVMSVEOFUFE-OALUTQOASA-N 1 2 392.543 4.356 20 0 GIADLO Cc1cccc2nc(C3CC[NH+](CC(=O)Nc4ccc(F)cc4F)CC3)oc21 ZINC000189802533 823497065 /nfs/dbraw/zinc/49/70/65/823497065.db2.gz KFRKLUMTAATUAI-UHFFFAOYSA-N 1 2 385.414 4.233 20 0 GIADLO C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000189804637 823497643 /nfs/dbraw/zinc/49/76/43/823497643.db2.gz SXAQFGCFRKUMIH-MRXNPFEDSA-N 1 2 387.503 4.060 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC000410496894 823499818 /nfs/dbraw/zinc/49/98/18/823499818.db2.gz HLRMYMXZMXIMFJ-VXKWHMMOSA-N 1 2 378.516 4.350 20 0 GIADLO COc1ccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031092536 820738268 /nfs/dbraw/zinc/73/82/68/820738268.db2.gz POZPUNQTARPMHX-GOSISDBHSA-N 1 2 391.874 4.446 20 0 GIADLO Cn1c[nH+]cc1CCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000189864617 823507581 /nfs/dbraw/zinc/50/75/81/823507581.db2.gz GXIQBBHHYUJVMX-UHFFFAOYSA-N 1 2 395.315 4.346 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccccc1N1CCCCC1 ZINC000123428098 823508166 /nfs/dbraw/zinc/50/81/66/823508166.db2.gz WHNLDEDDTHCTEG-UHFFFAOYSA-N 1 2 389.503 4.243 20 0 GIADLO CN(C)c1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031895761 820871603 /nfs/dbraw/zinc/87/16/03/820871603.db2.gz QAJWHFRLKYRCEN-LJQANCHMSA-N 1 2 389.902 4.112 20 0 GIADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000032236550 820903719 /nfs/dbraw/zinc/90/37/19/820903719.db2.gz JCCONUJEEUNGOL-UHFFFAOYSA-N 1 2 397.906 4.096 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000177724212 823516955 /nfs/dbraw/zinc/51/69/55/823516955.db2.gz ISRKURVGQGWFCC-YDBLSZJJSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000177724212 823516960 /nfs/dbraw/zinc/51/69/60/823516960.db2.gz ISRKURVGQGWFCC-YDBLSZJJSA-N 1 2 399.343 4.362 20 0 GIADLO CCC(CC)[C@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)[NH+]1CCOCC1 ZINC000460808934 823518383 /nfs/dbraw/zinc/51/83/83/823518383.db2.gz KKTSDFYDTCIMSP-HXUWFJFHSA-N 1 2 387.549 4.194 20 0 GIADLO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@H+](C)Cc3cnn(C)c3)ccc21 ZINC000032539923 820966692 /nfs/dbraw/zinc/96/66/92/820966692.db2.gz HXLFYTFCUJKTFW-INIZCTEOSA-N 1 2 389.503 4.007 20 0 GIADLO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@@H+](C)Cc3cnn(C)c3)ccc21 ZINC000032539923 820966701 /nfs/dbraw/zinc/96/67/01/820966701.db2.gz HXLFYTFCUJKTFW-INIZCTEOSA-N 1 2 389.503 4.007 20 0 GIADLO NC(=[NH+]OCc1ccc(F)cc1Cl)c1ccc(OCc2cccnc2)cc1 ZINC000060360994 823519702 /nfs/dbraw/zinc/51/97/02/823519702.db2.gz BLWVPNYXCUHHMF-UHFFFAOYSA-N 1 2 385.826 4.290 20 0 GIADLO O=C(N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000123551170 823520373 /nfs/dbraw/zinc/52/03/73/823520373.db2.gz BXUNRFOMVSMAFZ-SIKLNZKXSA-N 1 2 391.540 4.292 20 0 GIADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(-c3cccc(Br)c3)c[nH]1)CO2 ZINC000123584570 823523795 /nfs/dbraw/zinc/52/37/95/823523795.db2.gz SATKNTDPIPPLOX-KRWDZBQOSA-N 1 2 384.277 4.371 20 0 GIADLO O=C(CCCc1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000033223499 821051127 /nfs/dbraw/zinc/05/11/27/821051127.db2.gz ARCFBAXLMFKYQX-UHFFFAOYSA-N 1 2 395.528 4.070 20 0 GIADLO COc1ccc(OC2CC[NH+](Cc3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC000039304470 821105328 /nfs/dbraw/zinc/10/53/28/821105328.db2.gz BZAKNAGVWDIFOO-UHFFFAOYSA-N 1 2 379.460 4.097 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000123669071 823530354 /nfs/dbraw/zinc/53/03/54/823530354.db2.gz GXPAIYYLDYNPAW-RDTXWAMCSA-N 1 2 385.414 4.361 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)C[C@H]1n1cc[nH+]c1 ZINC000123676616 823530816 /nfs/dbraw/zinc/53/08/16/823530816.db2.gz CLKZOZBVKZPKRB-SCLBCKFNSA-N 1 2 390.409 4.117 20 0 GIADLO Cn1ccc2cccc(NC(=O)N[C@@H]3c4ccccc4CC[C@@H]3n3cc[nH+]c3)c21 ZINC000190059003 823532041 /nfs/dbraw/zinc/53/20/41/823532041.db2.gz YSYNWZATILKHQI-LEWJYISDSA-N 1 2 385.471 4.425 20 0 GIADLO O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000060482903 823533044 /nfs/dbraw/zinc/53/30/44/823533044.db2.gz BWCRAHRVZKIWIY-UHFFFAOYSA-N 1 2 389.854 4.441 20 0 GIADLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000123701401 823533068 /nfs/dbraw/zinc/53/30/68/823533068.db2.gz ZCYDIUVDINGSMH-UHFFFAOYSA-N 1 2 381.501 4.106 20 0 GIADLO CCOC1CC[NH+](CC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)CC1 ZINC000060483936 823533400 /nfs/dbraw/zinc/53/34/00/823533400.db2.gz XGBVANQOCQAEBR-UHFFFAOYSA-N 1 2 387.549 4.373 20 0 GIADLO O=S(=O)(c1ccc(CSCc2ccc(-n3cc[nH+]c3)cc2)cc1)C(F)F ZINC000177837380 823534107 /nfs/dbraw/zinc/53/41/07/823534107.db2.gz BGWWEZFPPHVSDN-UHFFFAOYSA-N 1 2 394.468 4.302 20 0 GIADLO Fc1cccc(OCCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000041702995 821219155 /nfs/dbraw/zinc/21/91/55/821219155.db2.gz ZFNUEWUBIFEVBW-UHFFFAOYSA-N 1 2 398.507 4.173 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCc2ccc(Cl)cc2C1 ZINC000123754400 823537595 /nfs/dbraw/zinc/53/75/95/823537595.db2.gz SIDBHHBFMFOBQY-UHFFFAOYSA-N 1 2 396.878 4.206 20 0 GIADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1cccc2c1OCO2 ZINC000060527107 823538535 /nfs/dbraw/zinc/53/85/35/823538535.db2.gz DJNAGAWIAGQVNW-UHFFFAOYSA-N 1 2 387.842 4.051 20 0 GIADLO CC(C)N(C)C(=O)C1CC[NH+](Cn2cc(-c3ccc(F)cc3)oc2=S)CC1 ZINC000042096118 821264368 /nfs/dbraw/zinc/26/43/68/821264368.db2.gz JLDUZCGZHDPUAT-UHFFFAOYSA-N 1 2 391.512 4.153 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]3c3ccc(F)cc3)cn2c1 ZINC000042465444 821307477 /nfs/dbraw/zinc/30/74/77/821307477.db2.gz LRWWQKGQYFAOSL-IBGZPJMESA-N 1 2 383.492 4.379 20 0 GIADLO CCCN(C(=O)NCCCn1cc[nH+]c1)[C@@H](C)c1ccccc1Br ZINC000042897081 821342706 /nfs/dbraw/zinc/34/27/06/821342706.db2.gz RNIIYEORSOGXEG-HNNXBMFYSA-N 1 2 393.329 4.219 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccccc2Cl)C[C@H](C)O1 ZINC000042931679 821346404 /nfs/dbraw/zinc/34/64/04/821346404.db2.gz MBJGMMINTLIMAR-IYBDPMFKSA-N 1 2 387.911 4.271 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccccc2Cl)C[C@H](C)O1 ZINC000042931679 821346414 /nfs/dbraw/zinc/34/64/14/821346414.db2.gz MBJGMMINTLIMAR-IYBDPMFKSA-N 1 2 387.911 4.271 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2cccc(Cl)c2)C[C@H](C)O1 ZINC000042932757 821346514 /nfs/dbraw/zinc/34/65/14/821346514.db2.gz CFZZMDRAFHCPMN-HOTGVXAUSA-N 1 2 387.911 4.271 20 0 GIADLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000042952657 821348451 /nfs/dbraw/zinc/34/84/51/821348451.db2.gz KVOBFZYRBOIGNU-LLVKDONJSA-N 1 2 398.272 4.465 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(SC)c3)CC2)cc1 ZINC000043156919 821370228 /nfs/dbraw/zinc/37/02/28/821370228.db2.gz FWIJKFRCOFQETC-UHFFFAOYSA-N 1 2 385.533 4.157 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CCCS(=O)(=O)c2ccc(C)cc2)s1 ZINC000180677107 821391855 /nfs/dbraw/zinc/39/18/55/821391855.db2.gz FCEGAAIMFGLUGI-MRXNPFEDSA-N 1 2 380.579 4.179 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCS(=O)(=O)c2ccc(C)cc2)s1 ZINC000180677107 821391859 /nfs/dbraw/zinc/39/18/59/821391859.db2.gz FCEGAAIMFGLUGI-MRXNPFEDSA-N 1 2 380.579 4.179 20 0 GIADLO Cn1cc(Br)cc1C[N@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000180720458 821417017 /nfs/dbraw/zinc/41/70/17/821417017.db2.gz JKYDLUDQLGXZHW-UHFFFAOYSA-N 1 2 379.327 4.006 20 0 GIADLO Cn1cc(Br)cc1C[N@@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000180720458 821417023 /nfs/dbraw/zinc/41/70/23/821417023.db2.gz JKYDLUDQLGXZHW-UHFFFAOYSA-N 1 2 379.327 4.006 20 0 GIADLO Cc1cc(N2CCCC2)ccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000043495734 821417785 /nfs/dbraw/zinc/41/77/85/821417785.db2.gz NBRXKSJCLQQOCB-UHFFFAOYSA-N 1 2 389.503 4.162 20 0 GIADLO Cc1cc(N2CCCC2)ccc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043496374 821418252 /nfs/dbraw/zinc/41/82/52/821418252.db2.gz LGVBNOXTZMKOQV-UHFFFAOYSA-N 1 2 384.549 4.006 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N(C)Cc3c(F)cccc3Cl)cn2c1 ZINC000043507613 821420714 /nfs/dbraw/zinc/42/07/14/821420714.db2.gz JSRJQXNSQBWLEM-UHFFFAOYSA-N 1 2 391.899 4.327 20 0 GIADLO O=C(Nc1ccccc1SC(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000043552562 821427019 /nfs/dbraw/zinc/42/70/19/821427019.db2.gz LHNFQMPFDVNOCO-UHFFFAOYSA-N 1 2 383.489 4.413 20 0 GIADLO C[C@@H]1CCc2c(sc3nc(C[N@@H+]4CCC[C@@H]4c4ccncc4)nc(N)c23)C1 ZINC000180765298 821442152 /nfs/dbraw/zinc/44/21/52/821442152.db2.gz ULEFRTGOGZMNHB-CZUORRHYSA-N 1 2 379.533 4.130 20 0 GIADLO C[C@@H]1CCc2c(sc3nc(C[N@H+]4CCC[C@@H]4c4ccncc4)nc(N)c23)C1 ZINC000180765298 821442158 /nfs/dbraw/zinc/44/21/58/821442158.db2.gz ULEFRTGOGZMNHB-CZUORRHYSA-N 1 2 379.533 4.130 20 0 GIADLO CCOC(=O)c1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)o1 ZINC000180796252 821462898 /nfs/dbraw/zinc/46/28/98/821462898.db2.gz SRGXBKVFOZUUNO-OAQYLSRUSA-N 1 2 383.419 4.483 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180814494 821475066 /nfs/dbraw/zinc/47/50/66/821475066.db2.gz OYQJYSSADUMJSI-ROUUACIJSA-N 1 2 379.863 4.049 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180814494 821475070 /nfs/dbraw/zinc/47/50/70/821475070.db2.gz OYQJYSSADUMJSI-ROUUACIJSA-N 1 2 379.863 4.049 20 0 GIADLO O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCCn1cc[nH+]c1 ZINC000043947035 821493226 /nfs/dbraw/zinc/49/32/26/821493226.db2.gz ZEFCYKZKAALUKJ-HXUWFJFHSA-N 1 2 385.920 4.176 20 0 GIADLO S=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc2ccccc2c1 ZINC000044057444 821513785 /nfs/dbraw/zinc/51/37/85/821513785.db2.gz BPUKRBCLJMQZHB-QFIPXVFZSA-N 1 2 391.540 4.027 20 0 GIADLO S=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc2ccccc2c1 ZINC000044057444 821513793 /nfs/dbraw/zinc/51/37/93/821513793.db2.gz BPUKRBCLJMQZHB-QFIPXVFZSA-N 1 2 391.540 4.027 20 0 GIADLO S=C(Nc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccc2ccccc2c1 ZINC000044057302 821513819 /nfs/dbraw/zinc/51/38/19/821513819.db2.gz IXRHOJCCIWHIEK-UHFFFAOYSA-N 1 2 377.513 4.481 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(Br)o1 ZINC000044567537 821609637 /nfs/dbraw/zinc/60/96/37/821609637.db2.gz HAQHUOGFVZXJPY-UHFFFAOYSA-N 1 2 386.249 4.494 20 0 GIADLO COc1ccc(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1F ZINC000044567875 821610304 /nfs/dbraw/zinc/61/03/04/821610304.db2.gz XAWDWCUFDZLDSZ-UHFFFAOYSA-N 1 2 379.435 4.215 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000044568985 821611015 /nfs/dbraw/zinc/61/10/15/821611015.db2.gz YSPIKZQPEUZHDH-NRFANRHFSA-N 1 2 386.455 4.018 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(C(C)C)c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181100750 821632896 /nfs/dbraw/zinc/63/28/96/821632896.db2.gz OINRDRIKVHZWOE-MOPGFXCFSA-N 1 2 392.906 4.130 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)c2cnn(C(C)C)c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181100750 821632900 /nfs/dbraw/zinc/63/29/00/821632900.db2.gz OINRDRIKVHZWOE-MOPGFXCFSA-N 1 2 392.906 4.130 20 0 GIADLO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2nc(CC(C)C)no2)cc1 ZINC000181137279 821656420 /nfs/dbraw/zinc/65/64/20/821656420.db2.gz DYEAEFSZOJANBT-HXUWFJFHSA-N 1 2 383.467 4.489 20 0 GIADLO COc1ccc([C@H](Cc2ccccc2C)[NH2+]Cc2nc(C3CC3)no2)cc1OC ZINC000181140956 821659640 /nfs/dbraw/zinc/65/96/40/821659640.db2.gz RXHBCNJBRVKIIJ-IBGZPJMESA-N 1 2 393.487 4.346 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154920 821667681 /nfs/dbraw/zinc/66/76/81/821667681.db2.gz WMWYPQBAZPNSEG-APWZRJJASA-N 1 2 392.906 4.199 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154920 821667684 /nfs/dbraw/zinc/66/76/84/821667684.db2.gz WMWYPQBAZPNSEG-APWZRJJASA-N 1 2 392.906 4.199 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154920 821667686 /nfs/dbraw/zinc/66/76/86/821667686.db2.gz WMWYPQBAZPNSEG-APWZRJJASA-N 1 2 392.906 4.199 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154920 821667688 /nfs/dbraw/zinc/66/76/88/821667688.db2.gz WMWYPQBAZPNSEG-APWZRJJASA-N 1 2 392.906 4.199 20 0 GIADLO COc1ccc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)n2)cc1F ZINC000045017676 821691691 /nfs/dbraw/zinc/69/16/91/821691691.db2.gz ZBOGQSYPHMMDEV-UHFFFAOYSA-N 1 2 394.431 4.396 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)n2)cc1 ZINC000181305270 821745265 /nfs/dbraw/zinc/74/52/65/821745265.db2.gz HEDKHDJMGCMHHY-OAHLLOKOSA-N 1 2 392.459 4.106 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1nc(Cc2ccccc2)no1 ZINC000181334786 821766614 /nfs/dbraw/zinc/76/66/14/821766614.db2.gz NQKWRPBNPXYHNU-JKSUJKDBSA-N 1 2 392.459 4.029 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@H+](Cc2ccccn2)C2CC2)c2cccs2)cc1 ZINC000181364465 821789736 /nfs/dbraw/zinc/78/97/36/821789736.db2.gz FSKJDWUSYQKPCH-HSZRJFAPSA-N 1 2 391.540 4.322 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@@H+](Cc2ccccn2)C2CC2)c2cccs2)cc1 ZINC000181364465 821789740 /nfs/dbraw/zinc/78/97/40/821789740.db2.gz FSKJDWUSYQKPCH-HSZRJFAPSA-N 1 2 391.540 4.322 20 0 GIADLO O=C(C[N@H+](Cc1ccccn1)C1CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000181377818 821795063 /nfs/dbraw/zinc/79/50/63/821795063.db2.gz BDGNZECHCYMCPH-QFIPXVFZSA-N 1 2 395.503 4.152 20 0 GIADLO O=C(C[N@@H+](Cc1ccccn1)C1CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000181377818 821795077 /nfs/dbraw/zinc/79/50/77/821795077.db2.gz BDGNZECHCYMCPH-QFIPXVFZSA-N 1 2 395.503 4.152 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(N2CCCC2=O)cc1 ZINC000181380335 821796118 /nfs/dbraw/zinc/79/61/18/821796118.db2.gz XCAKPBPTXFLKSK-AWEZNQCLSA-N 1 2 396.878 4.368 20 0 GIADLO Cc1cccc(-c2noc(C[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)n2)c1 ZINC000181387841 821799990 /nfs/dbraw/zinc/79/99/90/821799990.db2.gz YFZOFKCWKQSBRP-MRXNPFEDSA-N 1 2 376.460 4.023 20 0 GIADLO COc1ccc(NC(=O)[C@H]([NH2+][C@@H](C)c2cccc(O)c2)c2ccccc2)cc1 ZINC000181552061 821877934 /nfs/dbraw/zinc/87/79/34/821877934.db2.gz YNGVUAKAGFMOIC-KSFYIVLOSA-N 1 2 376.456 4.431 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2cc(Br)cs2)no1)c1cccc(O)c1 ZINC000181577878 821886884 /nfs/dbraw/zinc/88/68/84/821886884.db2.gz NBXGCVHYNZDUAA-SECBINFHSA-N 1 2 380.267 4.117 20 0 GIADLO C[C@@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1c(F)cccc1Cl ZINC000181744955 821973349 /nfs/dbraw/zinc/97/33/49/821973349.db2.gz VRUGZPHXGCIRLK-GFCCVEGCSA-N 1 2 391.899 4.098 20 0 GIADLO CCC[C@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(C)cc2)s1)c1ccccc1 ZINC000181780186 821989372 /nfs/dbraw/zinc/98/93/72/821989372.db2.gz NUXQHBSIZGKKDT-IBGZPJMESA-N 1 2 394.544 4.408 20 0 GIADLO CC(C)OC(=O)C[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC000181823685 822007324 /nfs/dbraw/zinc/00/73/24/822007324.db2.gz ZYLMENQUCSTNRP-IBGZPJMESA-N 1 2 381.501 4.378 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(OC(F)(F)F)c1 ZINC000181896715 822029753 /nfs/dbraw/zinc/02/97/53/822029753.db2.gz PXUOEIYPKCCVGH-LBPRGKRZSA-N 1 2 388.349 4.358 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2csc(CC(=O)Nc3ccccc3)n2)cc1F ZINC000182011147 822061559 /nfs/dbraw/zinc/06/15/59/822061559.db2.gz RSRZYVUZOYOOSR-CQSZACIVSA-N 1 2 399.491 4.323 20 0 GIADLO CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000182014133 822062580 /nfs/dbraw/zinc/06/25/80/822062580.db2.gz RCCAMKUPXMGDOX-CABCVRRESA-N 1 2 385.439 4.346 20 0 GIADLO c1[nH+]c2c(n1CCc1ccccc1)CCN(c1nnc(-c3ccccc3)s1)C2 ZINC000182022997 822065766 /nfs/dbraw/zinc/06/57/66/822065766.db2.gz JSRAJPIXSYMHLM-UHFFFAOYSA-N 1 2 387.512 4.207 20 0 GIADLO Clc1cnc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Cl)c1 ZINC000182030374 822068102 /nfs/dbraw/zinc/06/81/02/822068102.db2.gz VNLMKGZOIAOOKE-ZDUSSCGKSA-N 1 2 380.323 4.086 20 0 GIADLO Clc1cnc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Cl)c1 ZINC000182030374 822068108 /nfs/dbraw/zinc/06/81/08/822068108.db2.gz VNLMKGZOIAOOKE-ZDUSSCGKSA-N 1 2 380.323 4.086 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000182077278 822083923 /nfs/dbraw/zinc/08/39/23/822083923.db2.gz LPAAHXNXEIRYAK-UHFFFAOYSA-N 1 2 376.545 4.153 20 0 GIADLO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2csc(CS(C)(=O)=O)n2)cc1 ZINC000182098375 822093192 /nfs/dbraw/zinc/09/31/92/822093192.db2.gz RJQGKHJZLSEEFC-CYBMUJFWSA-N 1 2 384.592 4.039 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3sc(C)nc3C)co2)cc1 ZINC000182156535 822121515 /nfs/dbraw/zinc/12/15/15/822121515.db2.gz FIPNONZETPYLJM-ZDUSSCGKSA-N 1 2 385.489 4.395 20 0 GIADLO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3sc(C)nc3C)co2)cc1 ZINC000182156535 822121520 /nfs/dbraw/zinc/12/15/20/822121520.db2.gz FIPNONZETPYLJM-ZDUSSCGKSA-N 1 2 385.489 4.395 20 0 GIADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000182193092 822140054 /nfs/dbraw/zinc/14/00/54/822140054.db2.gz MUZUAXFOCBMBPX-OLZOCXBDSA-N 1 2 389.439 4.219 20 0 GIADLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000182193092 822140059 /nfs/dbraw/zinc/14/00/59/822140059.db2.gz MUZUAXFOCBMBPX-OLZOCXBDSA-N 1 2 389.439 4.219 20 0 GIADLO COC[C@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccccc1 ZINC000182432773 822240635 /nfs/dbraw/zinc/24/06/35/822240635.db2.gz XHQPNJKSCVCABC-SFHVURJKSA-N 1 2 377.275 4.051 20 0 GIADLO Cc1cccc(C[NH+](Cc2cccc(C)n2)Cc2cc3ccccc3[nH]c2=O)n1 ZINC000177999385 822276650 /nfs/dbraw/zinc/27/66/50/822276650.db2.gz PTSDHPYZMXOXFD-UHFFFAOYSA-N 1 2 384.483 4.137 20 0 GIADLO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182545373 822294253 /nfs/dbraw/zinc/29/42/53/822294253.db2.gz CSBZPRYBOLVXAQ-YJBOKZPZSA-N 1 2 378.501 4.168 20 0 GIADLO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182545373 822294258 /nfs/dbraw/zinc/29/42/58/822294258.db2.gz CSBZPRYBOLVXAQ-YJBOKZPZSA-N 1 2 378.501 4.168 20 0 GIADLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)cc1OCC ZINC000178139369 822330514 /nfs/dbraw/zinc/33/05/14/822330514.db2.gz VEWKTQQIGWVMGP-GJZGRUSLSA-N 1 2 382.464 4.341 20 0 GIADLO O=C(Nc1ccc2c(c1)CCCO2)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178146507 822332974 /nfs/dbraw/zinc/33/29/74/822332974.db2.gz LROJENDVIVDBLR-UNMCSNQZSA-N 1 2 388.471 4.258 20 0 GIADLO CCOc1cccc2cc([C@H](C)[NH2+]Cc3nnc(-c4ccccc4)n3C)oc21 ZINC000182650234 822338613 /nfs/dbraw/zinc/33/86/13/822338613.db2.gz BXOPEQPTAPGCBU-HNNXBMFYSA-N 1 2 376.460 4.478 20 0 GIADLO CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178208144 822353154 /nfs/dbraw/zinc/35/31/54/822353154.db2.gz KSVTVHBNYXHAJM-UHFFFAOYSA-N 1 2 399.426 4.142 20 0 GIADLO Cc1c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cnn1C ZINC000178303602 822365475 /nfs/dbraw/zinc/36/54/75/822365475.db2.gz PQXSRPRZGZECBP-OAQYLSRUSA-N 1 2 383.879 4.032 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cn3nc(-c4ccncc4)n(C)c3=S)C2)c1 ZINC000182797312 822368974 /nfs/dbraw/zinc/36/89/74/822368974.db2.gz NCKIEAMOUZMHGX-GOSISDBHSA-N 1 2 379.533 4.077 20 0 GIADLO Cc1cc(C)cc([C@@H]2CC[N@H+](Cn3nc(-c4ccncc4)n(C)c3=S)C2)c1 ZINC000182797312 822368978 /nfs/dbraw/zinc/36/89/78/822368978.db2.gz NCKIEAMOUZMHGX-GOSISDBHSA-N 1 2 379.533 4.077 20 0 GIADLO CC1([C@H]2CCC[N@H+](Cn3cc(C(F)(F)F)cc(Cl)c3=S)C2)OCCO1 ZINC000182825177 822373488 /nfs/dbraw/zinc/37/34/88/822373488.db2.gz XEYGQSYRYPXOCM-NSHDSACASA-N 1 2 396.862 4.322 20 0 GIADLO CC1([C@H]2CCC[N@@H+](Cn3cc(C(F)(F)F)cc(Cl)c3=S)C2)OCCO1 ZINC000182825177 822373491 /nfs/dbraw/zinc/37/34/91/822373491.db2.gz XEYGQSYRYPXOCM-NSHDSACASA-N 1 2 396.862 4.322 20 0 GIADLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000178419629 822377543 /nfs/dbraw/zinc/37/75/43/822377543.db2.gz FYKLYLSXFVGDEX-NHYWBVRUSA-N 1 2 381.293 4.489 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3coc(-c4cccs4)n3)C2)n1 ZINC000182847934 822377989 /nfs/dbraw/zinc/37/79/89/822377989.db2.gz HVFKXOAIMHZFRW-ZDUSSCGKSA-N 1 2 382.411 4.456 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3coc(-c4cccs4)n3)C2)n1 ZINC000182847934 822377994 /nfs/dbraw/zinc/37/79/94/822377994.db2.gz HVFKXOAIMHZFRW-ZDUSSCGKSA-N 1 2 382.411 4.456 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000178449429 822379974 /nfs/dbraw/zinc/37/99/74/822379974.db2.gz YJGHDTDVXOACFH-UHFFFAOYSA-N 1 2 397.482 4.271 20 0 GIADLO CCS[C@H](C)c1noc(C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000178448624 822380079 /nfs/dbraw/zinc/38/00/79/822380079.db2.gz TVMYBDYKLAUSSF-UONOGXRCSA-N 1 2 398.573 4.009 20 0 GIADLO Cc1cc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000045346242 822380243 /nfs/dbraw/zinc/38/02/43/822380243.db2.gz SGMUJIFHSMBLAU-CALCHBBNSA-N 1 2 385.483 4.065 20 0 GIADLO Cc1cc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000045346242 822380246 /nfs/dbraw/zinc/38/02/46/822380246.db2.gz SGMUJIFHSMBLAU-CALCHBBNSA-N 1 2 385.483 4.065 20 0 GIADLO Cc1c([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cnn1-c1cccc(Cl)c1 ZINC000182873397 822383809 /nfs/dbraw/zinc/38/38/09/822383809.db2.gz PGCKLRJCDGGLKS-HNNXBMFYSA-N 1 2 397.910 4.239 20 0 GIADLO Cc1cc(Br)c(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)s1 ZINC000453569042 822385757 /nfs/dbraw/zinc/38/57/57/822385757.db2.gz BBMIKZBWJJNIQT-UHFFFAOYSA-N 1 2 379.323 4.083 20 0 GIADLO Cc1cc(Br)c(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)s1 ZINC000453569042 822385762 /nfs/dbraw/zinc/38/57/62/822385762.db2.gz BBMIKZBWJJNIQT-UHFFFAOYSA-N 1 2 379.323 4.083 20 0 GIADLO O=C(NCCc1cccc(Cl)c1Cl)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045490532 822390356 /nfs/dbraw/zinc/39/03/56/822390356.db2.gz JITWVZKNCDXMPT-UHFFFAOYSA-N 1 2 393.318 4.031 20 0 GIADLO CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000453616038 822393640 /nfs/dbraw/zinc/39/36/40/822393640.db2.gz RQIQDZRJBWQZRD-GOSISDBHSA-N 1 2 377.330 4.040 20 0 GIADLO CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000453616038 822393643 /nfs/dbraw/zinc/39/36/43/822393643.db2.gz RQIQDZRJBWQZRD-GOSISDBHSA-N 1 2 377.330 4.040 20 0 GIADLO O=C1[C@@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@@H]2CCCCN12 ZINC000453631160 822395823 /nfs/dbraw/zinc/39/58/23/822395823.db2.gz OQBNVBUPBDHUDW-HOTGVXAUSA-N 1 2 395.450 4.072 20 0 GIADLO Cc1nc(-c2ccccc2)sc1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000045579424 822396820 /nfs/dbraw/zinc/39/68/20/822396820.db2.gz VXRAJXWEEMZEJB-UHFFFAOYSA-N 1 2 391.540 4.385 20 0 GIADLO C[N@H+](Cc1coc(-c2c(F)cccc2F)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178723577 822405749 /nfs/dbraw/zinc/40/57/49/822405749.db2.gz SEAJIZOMAZDSKO-CQSZACIVSA-N 1 2 393.434 4.061 20 0 GIADLO C[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178723577 822405751 /nfs/dbraw/zinc/40/57/51/822405751.db2.gz SEAJIZOMAZDSKO-CQSZACIVSA-N 1 2 393.434 4.061 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(C)c(O)c3C)c2C1 ZINC000178773310 822408715 /nfs/dbraw/zinc/40/87/15/822408715.db2.gz DMSXSOJIUOPLNY-UHFFFAOYSA-N 1 2 375.472 4.188 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(C)c(O)c3C)c2C1 ZINC000178773310 822408719 /nfs/dbraw/zinc/40/87/19/822408719.db2.gz DMSXSOJIUOPLNY-UHFFFAOYSA-N 1 2 375.472 4.188 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](Cc4cccc(F)c4)CC3)o2)cc1 ZINC000178775514 822408940 /nfs/dbraw/zinc/40/89/40/822408940.db2.gz NERBPCSMEQKHCK-QGZVFWFLSA-N 1 2 380.467 4.063 20 0 GIADLO CC[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1OC(F)F ZINC000045736948 822409741 /nfs/dbraw/zinc/40/97/41/822409741.db2.gz GIVCIKMGAIVLHW-GOSISDBHSA-N 1 2 385.414 4.414 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178790415 822410126 /nfs/dbraw/zinc/41/01/26/822410126.db2.gz YGRNXIFVFXJNHX-OQRWROFFSA-N 1 2 386.561 4.181 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178790415 822410131 /nfs/dbraw/zinc/41/01/31/822410131.db2.gz YGRNXIFVFXJNHX-OQRWROFFSA-N 1 2 386.561 4.181 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178796270 822411032 /nfs/dbraw/zinc/41/10/32/822411032.db2.gz ITISMGMZNJFOFS-JWIGPWBQSA-N 1 2 386.561 4.008 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178796270 822411034 /nfs/dbraw/zinc/41/10/34/822411034.db2.gz ITISMGMZNJFOFS-JWIGPWBQSA-N 1 2 386.561 4.008 20 0 GIADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178801690 822411713 /nfs/dbraw/zinc/41/17/13/822411713.db2.gz BQPSTJGJJRSAFP-HCXYCLFGSA-N 1 2 386.561 4.397 20 0 GIADLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178801690 822411716 /nfs/dbraw/zinc/41/17/16/822411716.db2.gz BQPSTJGJJRSAFP-HCXYCLFGSA-N 1 2 386.561 4.397 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1Cl ZINC000045774039 822412128 /nfs/dbraw/zinc/41/21/28/822412128.db2.gz IVARYADQUDQLGJ-LLVKDONJSA-N 1 2 398.837 4.267 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1Cl ZINC000045774039 822412131 /nfs/dbraw/zinc/41/21/31/822412131.db2.gz IVARYADQUDQLGJ-LLVKDONJSA-N 1 2 398.837 4.267 20 0 GIADLO O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860424 822419599 /nfs/dbraw/zinc/41/95/99/822419599.db2.gz QDPADJYJVRQQGA-UHFFFAOYSA-N 1 2 394.381 4.377 20 0 GIADLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000183067278 822419770 /nfs/dbraw/zinc/41/97/70/822419770.db2.gz LBDIDFBSTYBDRR-JQWIXIFHSA-N 1 2 376.457 4.199 20 0 GIADLO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178965014 822425053 /nfs/dbraw/zinc/42/50/53/822425053.db2.gz UVHOVSAWHGGXDS-MRXNPFEDSA-N 1 2 398.919 4.176 20 0 GIADLO C[S@](=O)C[C@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccccc1 ZINC000183133939 822428866 /nfs/dbraw/zinc/42/88/66/822428866.db2.gz GLCUFAZCKHJWSN-FNZWTVRRSA-N 1 2 384.570 4.138 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3cnc4ccc(F)cc4c3)n2)CC1 ZINC000179070670 822435216 /nfs/dbraw/zinc/43/52/16/822435216.db2.gz LZCBUCHOFPBUSQ-UHFFFAOYSA-N 1 2 384.480 4.315 20 0 GIADLO CC[C@H]1c2ccsc2CCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019380 822435397 /nfs/dbraw/zinc/43/53/97/822435397.db2.gz CGHGXIMKDPCVKU-IBGZPJMESA-N 1 2 380.517 4.212 20 0 GIADLO CN(Cc1csc2ccccc12)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019571 822435642 /nfs/dbraw/zinc/43/56/42/822435642.db2.gz BWVSYJURWUIBCT-UHFFFAOYSA-N 1 2 390.512 4.488 20 0 GIADLO Cc1nc2ccccc2nc1C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000179109119 822439103 /nfs/dbraw/zinc/43/91/03/822439103.db2.gz XCGNJKXXCCRPAT-FQEVSTJZSA-N 1 2 385.414 4.113 20 0 GIADLO Cc1nc2ccccc2nc1C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000179109119 822439106 /nfs/dbraw/zinc/43/91/06/822439106.db2.gz XCGNJKXXCCRPAT-FQEVSTJZSA-N 1 2 385.414 4.113 20 0 GIADLO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1ncc(Br)s1 ZINC000183200190 822440330 /nfs/dbraw/zinc/44/03/30/822440330.db2.gz RFESQTWKFOAXMU-GFCCVEGCSA-N 1 2 377.311 4.251 20 0 GIADLO CCCCn1c(SCc2nnc(C(C)(C)C)o2)nnc1[C@H](CC)[NH+](C)C ZINC000046084290 822440389 /nfs/dbraw/zinc/44/03/89/822440389.db2.gz UWTFUNMBSQIONA-ZDUSSCGKSA-N 1 2 380.562 4.064 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000046088287 822440501 /nfs/dbraw/zinc/44/05/01/822440501.db2.gz YNMLJMLDPNMLDX-MSOLQXFVSA-N 1 2 395.484 4.449 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000046088287 822440504 /nfs/dbraw/zinc/44/05/04/822440504.db2.gz YNMLJMLDPNMLDX-MSOLQXFVSA-N 1 2 395.484 4.449 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(C)(CC(F)(F)F)C3)n2)C1 ZINC000454280886 822449801 /nfs/dbraw/zinc/44/98/01/822449801.db2.gz RPEFJYDAJDNKED-LBPRGKRZSA-N 1 2 390.475 4.181 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(C)(CC(F)(F)F)C3)n2)C1 ZINC000454280886 822449804 /nfs/dbraw/zinc/44/98/04/822449804.db2.gz RPEFJYDAJDNKED-LBPRGKRZSA-N 1 2 390.475 4.181 20 0 GIADLO C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ncc(Br)s1 ZINC000179202804 822450204 /nfs/dbraw/zinc/45/02/04/822450204.db2.gz VMGZCJGUDQRXGQ-GFCCVEGCSA-N 1 2 377.311 4.001 20 0 GIADLO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ncc(Br)s2)c1 ZINC000179205951 822450802 /nfs/dbraw/zinc/45/08/02/822450802.db2.gz YPIMVNPPLZGLGP-NSHDSACASA-N 1 2 382.327 4.495 20 0 GIADLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ncc(Br)s2)c1 ZINC000179206324 822451062 /nfs/dbraw/zinc/45/10/62/822451062.db2.gz YMENUWFXRBGPPG-NEPJUHHUSA-N 1 2 396.354 4.285 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ncc(Br)s1 ZINC000179213960 822452052 /nfs/dbraw/zinc/45/20/52/822452052.db2.gz FKAUGPOUBVOSFZ-NWDGAFQWSA-N 1 2 394.338 4.444 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1c1ccc(F)cc1F ZINC000454311911 822456434 /nfs/dbraw/zinc/45/64/34/822456434.db2.gz HDHZDAYELUXVQG-NRFANRHFSA-N 1 2 396.441 4.256 20 0 GIADLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cnn1C ZINC000183326504 822459358 /nfs/dbraw/zinc/45/93/58/822459358.db2.gz YDHBCPSJQROVDL-UWVGGRQHSA-N 1 2 380.279 4.497 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(CCC(F)(F)F)cc2)c1C ZINC000179272827 822459784 /nfs/dbraw/zinc/45/97/84/822459784.db2.gz ZVRKHOQAZFNGNQ-UHFFFAOYSA-N 1 2 380.410 4.474 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2csc3c2CCCC3)C[C@@H](C)O1 ZINC000046341644 822463310 /nfs/dbraw/zinc/46/33/10/822463310.db2.gz IVWVHOQUBIVVRI-HZPDHXFCSA-N 1 2 384.545 4.488 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C[C@H](C)O1 ZINC000046342900 822463512 /nfs/dbraw/zinc/46/35/12/822463512.db2.gz XKHOIVVQVOWBLN-VAKZPMALSA-N 1 2 382.479 4.177 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C[C@H](C)O1 ZINC000046342900 822463515 /nfs/dbraw/zinc/46/35/15/822463515.db2.gz XKHOIVVQVOWBLN-VAKZPMALSA-N 1 2 382.479 4.177 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(Cl)ccc2F)C[C@@H](C)O1 ZINC000046342845 822463596 /nfs/dbraw/zinc/46/35/96/822463596.db2.gz ACRMPPNFMZTQIJ-ZIAGYGMSSA-N 1 2 376.859 4.341 20 0 GIADLO CCCOc1cccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046345115 822464200 /nfs/dbraw/zinc/46/42/00/822464200.db2.gz QPQVDDBQDHBVHO-HDICACEKSA-N 1 2 382.504 4.337 20 0 GIADLO CCCOc1cccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046345115 822464204 /nfs/dbraw/zinc/46/42/04/822464204.db2.gz QPQVDDBQDHBVHO-HDICACEKSA-N 1 2 382.504 4.337 20 0 GIADLO CCCc1nc(C)c(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000046345632 822464407 /nfs/dbraw/zinc/46/44/07/822464407.db2.gz GWCVFKRKINIQOY-HUUCEWRRSA-N 1 2 387.549 4.266 20 0 GIADLO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000183406994 822469553 /nfs/dbraw/zinc/46/95/53/822469553.db2.gz ZEZQZNPAIYZAQZ-FYYLOGMGSA-N 1 2 390.483 4.068 20 0 GIADLO CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000179416982 822479437 /nfs/dbraw/zinc/47/94/37/822479437.db2.gz DVDLSLHIXULJMB-QZTJIDSGSA-N 1 2 379.476 4.003 20 0 GIADLO CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000179416982 822479440 /nfs/dbraw/zinc/47/94/40/822479440.db2.gz DVDLSLHIXULJMB-QZTJIDSGSA-N 1 2 379.476 4.003 20 0 GIADLO CC(C)Oc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cn1 ZINC000183473246 822480755 /nfs/dbraw/zinc/48/07/55/822480755.db2.gz QITFPUPNWVPHFT-UHFFFAOYSA-N 1 2 392.290 4.046 20 0 GIADLO Cc1cccc2c1N(C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000454498702 822485336 /nfs/dbraw/zinc/48/53/36/822485336.db2.gz DSWAQDZHVVWVMG-HDICACEKSA-N 1 2 379.504 4.199 20 0 GIADLO Cc1cccc2c1N(C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000454498702 822485337 /nfs/dbraw/zinc/48/53/37/822485337.db2.gz DSWAQDZHVVWVMG-HDICACEKSA-N 1 2 379.504 4.199 20 0 GIADLO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccccn1 ZINC000179482365 822489198 /nfs/dbraw/zinc/48/91/98/822489198.db2.gz MNNQKNZKLQIZKO-MWTRTKDXSA-N 1 2 376.456 4.302 20 0 GIADLO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](c2ccccn2)c2ccccc2OC)s1 ZINC000179484243 822489612 /nfs/dbraw/zinc/48/96/12/822489612.db2.gz NRFJKCQAPAGZDQ-IIBYNOLFSA-N 1 2 397.544 4.484 20 0 GIADLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179508906 822493183 /nfs/dbraw/zinc/49/31/83/822493183.db2.gz CKRZUCJZUHHQES-JSGCOSHPSA-N 1 2 386.450 4.368 20 0 GIADLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179508906 822493186 /nfs/dbraw/zinc/49/31/86/822493186.db2.gz CKRZUCJZUHHQES-JSGCOSHPSA-N 1 2 386.450 4.368 20 0 GIADLO COc1ccc(CNC(=O)NCc2c[nH+]c(C)cc2C)c(OC2CCCC2)c1 ZINC000454584429 822501183 /nfs/dbraw/zinc/50/11/83/822501183.db2.gz GUXAZVLAVHUWCP-UHFFFAOYSA-N 1 2 383.492 4.028 20 0 GIADLO COc1c(C)ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C ZINC000179548968 822501299 /nfs/dbraw/zinc/50/12/99/822501299.db2.gz XOMVCWXZAAAOFD-RTBURBONSA-N 1 2 389.446 4.157 20 0 GIADLO COc1c(C)ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C ZINC000179548968 822501300 /nfs/dbraw/zinc/50/13/00/822501300.db2.gz XOMVCWXZAAAOFD-RTBURBONSA-N 1 2 389.446 4.157 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c[nH+]1 ZINC000454584907 822501386 /nfs/dbraw/zinc/50/13/86/822501386.db2.gz DUUQFHNRFVCGFF-GOSISDBHSA-N 1 2 394.519 4.343 20 0 GIADLO Cc1cc2ncc([C@@H](C)[NH2+][C@H](c3cccc(F)c3)c3ccccn3)c(C)n2n1 ZINC000179553545 822502384 /nfs/dbraw/zinc/50/23/84/822502384.db2.gz HJDQIDFURKPBBN-IVZQSRNASA-N 1 2 375.451 4.320 20 0 GIADLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cn(C)nc1C(C)(C)C ZINC000179565470 822504485 /nfs/dbraw/zinc/50/44/85/822504485.db2.gz XIAZDUVGTAWMGF-UHFFFAOYSA-N 1 2 396.457 4.197 20 0 GIADLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cn(C)nc1C(C)(C)C ZINC000179565470 822504486 /nfs/dbraw/zinc/50/44/86/822504486.db2.gz XIAZDUVGTAWMGF-UHFFFAOYSA-N 1 2 396.457 4.197 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000046729827 822510670 /nfs/dbraw/zinc/51/06/70/822510670.db2.gz LNHJVHMUNJPQKF-UHFFFAOYSA-N 1 2 383.923 4.463 20 0 GIADLO CCOc1cc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1OC ZINC000183704328 822514344 /nfs/dbraw/zinc/51/43/44/822514344.db2.gz CHQYXVPFZOBMLP-OAHLLOKOSA-N 1 2 389.521 4.066 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c(C)c1 ZINC000046780519 822516632 /nfs/dbraw/zinc/51/66/32/822516632.db2.gz WZRZGUQULRXSQK-UHFFFAOYSA-N 1 2 375.472 4.448 20 0 GIADLO O=c1cc(C[NH2+][C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)[nH]c2ccnn21 ZINC000183733753 822518459 /nfs/dbraw/zinc/51/84/59/822518459.db2.gz PZUXWWSYYXTZDX-FQEVSTJZSA-N 1 2 399.281 4.209 20 0 GIADLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000179668676 822523639 /nfs/dbraw/zinc/52/36/39/822523639.db2.gz YEVMYUWFAJSVPV-HNNXBMFYSA-N 1 2 394.500 4.027 20 0 GIADLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000179668676 822523641 /nfs/dbraw/zinc/52/36/41/822523641.db2.gz YEVMYUWFAJSVPV-HNNXBMFYSA-N 1 2 394.500 4.027 20 0 GIADLO Cc1ccc(CN(C)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1C ZINC000454767908 822530358 /nfs/dbraw/zinc/53/03/58/822530358.db2.gz UKWBKRFLGZAFQY-UHFFFAOYSA-N 1 2 378.476 4.243 20 0 GIADLO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046920552 822530941 /nfs/dbraw/zinc/53/09/41/822530941.db2.gz YEUVBPOEOWBKBV-FQEVSTJZSA-N 1 2 392.503 4.346 20 0 GIADLO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943675 822533368 /nfs/dbraw/zinc/53/33/68/822533368.db2.gz QCNSRKFSSQEXCP-UHFFFAOYSA-N 1 2 380.536 4.190 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)c1ncc(C(C)(C)C)o1)c1ccccc1OCC(=O)N(C)C ZINC000179729568 822536833 /nfs/dbraw/zinc/53/68/33/822536833.db2.gz OTPYZYJGPKYTBE-RDJZCZTQSA-N 1 2 387.524 4.241 20 0 GIADLO CC[C@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1ccccc1OCC(=O)N(C)C ZINC000179730025 822537020 /nfs/dbraw/zinc/53/70/20/822537020.db2.gz YBYVJZLSWKEFRO-INIZCTEOSA-N 1 2 399.516 4.111 20 0 GIADLO Fc1ccc(-c2noc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)n2)cc1F ZINC000179759684 822544813 /nfs/dbraw/zinc/54/48/13/822544813.db2.gz QVIVZSAJYOPVNU-FQEVSTJZSA-N 1 2 399.397 4.027 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000179762538 822546118 /nfs/dbraw/zinc/54/61/18/822546118.db2.gz GFDWLTPHTUYELP-MRXNPFEDSA-N 1 2 390.487 4.168 20 0 GIADLO O=C(C[N@@H+]1CCc2sccc2C1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000047210660 822554706 /nfs/dbraw/zinc/55/47/06/822554706.db2.gz UMULJYOYMIDYAJ-QFIPXVFZSA-N 1 2 394.565 4.342 20 0 GIADLO O=C(C[N@H+]1CCc2sccc2C1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000047210660 822554707 /nfs/dbraw/zinc/55/47/07/822554707.db2.gz UMULJYOYMIDYAJ-QFIPXVFZSA-N 1 2 394.565 4.342 20 0 GIADLO C[N@H+](Cc1ccc(C(F)F)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000183986536 822558521 /nfs/dbraw/zinc/55/85/21/822558521.db2.gz HEHAOPXDSFIUFI-HNNXBMFYSA-N 1 2 383.236 4.045 20 0 GIADLO C[N@@H+](Cc1ccc(C(F)F)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000183986536 822558522 /nfs/dbraw/zinc/55/85/22/822558522.db2.gz HEHAOPXDSFIUFI-HNNXBMFYSA-N 1 2 383.236 4.045 20 0 GIADLO C[C@H](C[N@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1nccs1 ZINC000183988244 822558647 /nfs/dbraw/zinc/55/86/47/822558647.db2.gz FRMZGQDJVDEBFE-CYBMUJFWSA-N 1 2 396.541 4.344 20 0 GIADLO C[C@H](C[N@@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1nccs1 ZINC000183988244 822558650 /nfs/dbraw/zinc/55/86/50/822558650.db2.gz FRMZGQDJVDEBFE-CYBMUJFWSA-N 1 2 396.541 4.344 20 0 GIADLO C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000047258090 822559313 /nfs/dbraw/zinc/55/93/13/822559313.db2.gz JJRUAKHVSVZPDR-AWEZNQCLSA-N 1 2 399.445 4.238 20 0 GIADLO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179840798 822564345 /nfs/dbraw/zinc/56/43/45/822564345.db2.gz PZBWTGVJPGGAAB-UHFFFAOYSA-N 1 2 379.287 4.047 20 0 GIADLO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179840798 822564346 /nfs/dbraw/zinc/56/43/46/822564346.db2.gz PZBWTGVJPGGAAB-UHFFFAOYSA-N 1 2 379.287 4.047 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(-c3ncco3)c2)CC1 ZINC000184026553 822566876 /nfs/dbraw/zinc/56/68/76/822566876.db2.gz QTVFIMVSXBPASE-OAHLLOKOSA-N 1 2 382.489 4.314 20 0 GIADLO C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000047372017 822571777 /nfs/dbraw/zinc/57/17/77/822571777.db2.gz RPRXSDKXLRFPNX-AWEZNQCLSA-N 1 2 392.956 4.429 20 0 GIADLO CC1(CC(F)(F)F)CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000455029015 822574564 /nfs/dbraw/zinc/57/45/64/822574564.db2.gz ZDZJTMJWBQZUKH-UHFFFAOYSA-N 1 2 390.409 4.408 20 0 GIADLO C[S@@](=O)Cc1cccc(NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000179906881 822574805 /nfs/dbraw/zinc/57/48/05/822574805.db2.gz DFWUVSZHBWSHPJ-AREMUKBSSA-N 1 2 394.943 4.434 20 0 GIADLO C#CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)[C@@H]1CCc2ccccc21 ZINC000047405944 822575922 /nfs/dbraw/zinc/57/59/22/822575922.db2.gz PEJNWLOWGJFABM-XMMPIXPASA-N 1 2 387.527 4.156 20 0 GIADLO C#CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)[C@@H]1CCc2ccccc21 ZINC000047405944 822575924 /nfs/dbraw/zinc/57/59/24/822575924.db2.gz PEJNWLOWGJFABM-XMMPIXPASA-N 1 2 387.527 4.156 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)N3CCCN(c4cccc[nH+]4)CC3)c2)oc1C ZINC000184089912 822576312 /nfs/dbraw/zinc/57/63/12/822576312.db2.gz WZCSJYYFGIECNW-UHFFFAOYSA-N 1 2 391.475 4.098 20 0 GIADLO CCCN(CCc1cccs1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000184105916 822578963 /nfs/dbraw/zinc/57/89/63/822578963.db2.gz FJKPAWWYYZTOJU-UHFFFAOYSA-N 1 2 386.496 4.237 20 0 GIADLO C[N@H+](Cc1nccn1C(F)F)Cc1ccc(Br)c2cccnc12 ZINC000179934797 822580209 /nfs/dbraw/zinc/58/02/09/822580209.db2.gz RMCZVWCPFAOVSC-UHFFFAOYSA-N 1 2 381.224 4.221 20 0 GIADLO C[N@@H+](Cc1nccn1C(F)F)Cc1ccc(Br)c2cccnc12 ZINC000179934797 822580212 /nfs/dbraw/zinc/58/02/12/822580212.db2.gz RMCZVWCPFAOVSC-UHFFFAOYSA-N 1 2 381.224 4.221 20 0 GIADLO C[C@@H](CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)Cc1ccc(Cl)cc1 ZINC000179937330 822580859 /nfs/dbraw/zinc/58/08/59/822580859.db2.gz QFYCTVHFYRXCAJ-QZTJIDSGSA-N 1 2 385.939 4.209 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000179944539 822582443 /nfs/dbraw/zinc/58/24/43/822582443.db2.gz UZGHMCZNMUBQFH-UHFFFAOYSA-N 1 2 398.507 4.405 20 0 GIADLO C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)c1ccc(Cl)cc1 ZINC000179957810 822585662 /nfs/dbraw/zinc/58/56/62/822585662.db2.gz HBYVUUOGKTWFAP-INIZCTEOSA-N 1 2 399.922 4.251 20 0 GIADLO CCC(CC)[NH+](CC(=O)Nc1ccccc1C)CC(=O)Nc1ccccc1C ZINC000047550305 822589988 /nfs/dbraw/zinc/58/99/88/822589988.db2.gz AFYJTQJCHVNIGD-UHFFFAOYSA-N 1 2 381.520 4.371 20 0 GIADLO CCCN(C[C@@H]1CCCCO1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455110636 822590232 /nfs/dbraw/zinc/59/02/32/822590232.db2.gz QBPOUOWPILVDGI-INIZCTEOSA-N 1 2 390.915 4.016 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC[C@@H]1CCCCC1(F)F ZINC000455111962 822590472 /nfs/dbraw/zinc/59/04/72/822590472.db2.gz SNDHYNVAHDCVIJ-ZDUSSCGKSA-N 1 2 382.842 4.150 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)n1 ZINC000184174896 822590763 /nfs/dbraw/zinc/59/07/63/822590763.db2.gz NIQTUUYHWXLGIL-BEFAXECRSA-N 1 2 385.558 4.378 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000455119619 822591691 /nfs/dbraw/zinc/59/16/91/822591691.db2.gz QSWLSUWGEYYITJ-LPHOPBHVSA-N 1 2 377.448 4.185 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[C@@H]2c2ccncc2)C[C@@H](C)O1 ZINC000047569715 822591799 /nfs/dbraw/zinc/59/17/99/822591799.db2.gz QKEZROPVPWUQIR-JBYIUTFZSA-N 1 2 394.519 4.060 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000047569479 822591810 /nfs/dbraw/zinc/59/18/10/822591810.db2.gz WCGMBXXONLZRBU-IRXDYDNUSA-N 1 2 385.483 4.099 20 0 GIADLO Cc1ccccc1C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047570114 822592055 /nfs/dbraw/zinc/59/20/55/822592055.db2.gz UUDMASGLRDRRHJ-XUVXKRRUSA-N 1 2 395.547 4.357 20 0 GIADLO C[C@H]1CCN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000184189511 822593292 /nfs/dbraw/zinc/59/32/92/822593292.db2.gz YDSHFDMDXURDQF-SJCJKPOMSA-N 1 2 388.443 4.008 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1 ZINC000184202260 822595457 /nfs/dbraw/zinc/59/54/57/822595457.db2.gz KVIHHEKSOVQMJZ-OAHLLOKOSA-N 1 2 397.548 4.224 20 0 GIADLO CSc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](COCC(C)C)c2ccco2)cc1 ZINC000184210117 822596713 /nfs/dbraw/zinc/59/67/13/822596713.db2.gz XZWYKEHEIQPEPZ-QAPCUYQASA-N 1 2 376.522 4.332 20 0 GIADLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc(-c4cccc(C)c4)no3)ccc2NC1=O ZINC000180031403 822600997 /nfs/dbraw/zinc/60/09/97/822600997.db2.gz GDAIWXHYBSEQRJ-KDOFPFPSSA-N 1 2 392.459 4.005 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C(F)F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000184263620 822605342 /nfs/dbraw/zinc/60/53/42/822605342.db2.gz ODKWMGUMVGXNAY-ROUUACIJSA-N 1 2 395.400 4.147 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C(F)F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000184263620 822605345 /nfs/dbraw/zinc/60/53/45/822605345.db2.gz ODKWMGUMVGXNAY-ROUUACIJSA-N 1 2 395.400 4.147 20 0 GIADLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 ZINC000180119441 822619122 /nfs/dbraw/zinc/61/91/22/822619122.db2.gz ZAJNQMZYDXHMGO-BOFPYLFWSA-N 1 2 396.878 4.013 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2nc3ccccc3s2)CC1 ZINC000184382397 822625619 /nfs/dbraw/zinc/62/56/19/822625619.db2.gz LCEQHSKNOJZOQZ-LQYUOIDQSA-N 1 2 383.542 4.276 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)sc2C1 ZINC000184392632 822627429 /nfs/dbraw/zinc/62/74/29/822627429.db2.gz BTDPWKRBOQPMQA-UHFFFAOYSA-N 1 2 375.803 4.056 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)sc2C1 ZINC000184392632 822627432 /nfs/dbraw/zinc/62/74/32/822627432.db2.gz BTDPWKRBOQPMQA-UHFFFAOYSA-N 1 2 375.803 4.056 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000048056822 822627741 /nfs/dbraw/zinc/62/77/41/822627741.db2.gz ZPGPKCOBHQJTDG-UHFFFAOYSA-N 1 2 391.471 4.149 20 0 GIADLO C[C@H]([NH2+]CC(=O)NCCc1ccc(Cl)cc1)c1nc(C(C)(C)C)cs1 ZINC000184445402 822636441 /nfs/dbraw/zinc/63/64/41/822636441.db2.gz HRGXISYSXVBYCU-ZDUSSCGKSA-N 1 2 379.957 4.104 20 0 GIADLO COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184463550 822640253 /nfs/dbraw/zinc/64/02/53/822640253.db2.gz XNDBRPBWEVCQCF-AWEZNQCLSA-N 1 2 387.549 4.079 20 0 GIADLO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)C2CC2)o1 ZINC000184467507 822641253 /nfs/dbraw/zinc/64/12/53/822641253.db2.gz ZXWPFQCQRQEEJK-CQSZACIVSA-N 1 2 375.538 4.184 20 0 GIADLO O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000048179897 822642662 /nfs/dbraw/zinc/64/26/62/822642662.db2.gz DZMDGZWDPNTTDO-UHFFFAOYSA-N 1 2 378.303 4.060 20 0 GIADLO O=C(c1ccc(SCc2ccccc2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000048179962 822642690 /nfs/dbraw/zinc/64/26/90/822642690.db2.gz AQQUUXZZUQJHDZ-UHFFFAOYSA-N 1 2 389.524 4.336 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1nc(C(C)(C)C)cs1 ZINC000184486828 822644267 /nfs/dbraw/zinc/64/42/67/822644267.db2.gz LMWLLKYHGPQSIG-LLVKDONJSA-N 1 2 390.534 4.446 20 0 GIADLO CCC[N@H+](CCc1cccs1)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000184507646 822647164 /nfs/dbraw/zinc/64/71/64/822647164.db2.gz QZTCDKMWKBIZNW-UHFFFAOYSA-N 1 2 386.546 4.307 20 0 GIADLO CCC[N@@H+](CCc1cccs1)Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000184507646 822647165 /nfs/dbraw/zinc/64/71/65/822647165.db2.gz QZTCDKMWKBIZNW-UHFFFAOYSA-N 1 2 386.546 4.307 20 0 GIADLO Cc1csc2nc(C[NH2+][C@H](C)c3nc(-c4ccccc4)cs3)cc(=O)n12 ZINC000184520090 822649944 /nfs/dbraw/zinc/64/99/44/822649944.db2.gz YOEMYJCGDFWJSF-CYBMUJFWSA-N 1 2 382.514 4.039 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)C[N@H+](Cc3cccnc3)C3CC3)c2)cs1 ZINC000180281114 822654264 /nfs/dbraw/zinc/65/42/64/822654264.db2.gz BQIQPFITPVDZED-UHFFFAOYSA-N 1 2 378.501 4.117 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)C[N@@H+](Cc3cccnc3)C3CC3)c2)cs1 ZINC000180281114 822654266 /nfs/dbraw/zinc/65/42/66/822654266.db2.gz BQIQPFITPVDZED-UHFFFAOYSA-N 1 2 378.501 4.117 20 0 GIADLO COc1cccc(OC)c1OC1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000455461153 822658913 /nfs/dbraw/zinc/65/89/13/822658913.db2.gz AZDSGKUKAYVIED-UHFFFAOYSA-N 1 2 399.491 4.099 20 0 GIADLO Cc1cc(C)c(NC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c(C)[nH+]1 ZINC000455472915 822661373 /nfs/dbraw/zinc/66/13/73/822661373.db2.gz JGRUGOJRGYKDSK-UHFFFAOYSA-N 1 2 395.290 4.416 20 0 GIADLO Cc1cc(C)c(NC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c(C)[nH+]1 ZINC000455481698 822662959 /nfs/dbraw/zinc/66/29/59/822662959.db2.gz OUTKGHKPZIYOEE-UHFFFAOYSA-N 1 2 385.855 4.074 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2ccc(F)cc2Br)c2ccc(F)cc2)cn1 ZINC000184602021 822664318 /nfs/dbraw/zinc/66/43/18/822664318.db2.gz DYSHHLMGRVBEIV-SFHVURJKSA-N 1 2 392.247 4.340 20 0 GIADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1)c1ccco1 ZINC000184608952 822665305 /nfs/dbraw/zinc/66/53/05/822665305.db2.gz WULFRICTAPZBIN-UWJYYQICSA-N 1 2 378.472 4.175 20 0 GIADLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2csc(NC(C)=O)n2)cc1OC ZINC000180337138 822665833 /nfs/dbraw/zinc/66/58/33/822665833.db2.gz JBKLMHAUEMCAQJ-CYBMUJFWSA-N 1 2 377.510 4.140 20 0 GIADLO Cc1cc(C)c(NC(=O)NCCNc2cccc(Br)c2)c(C)[nH+]1 ZINC000455498150 822666168 /nfs/dbraw/zinc/66/61/68/822666168.db2.gz RCNQSOACARPYRF-UHFFFAOYSA-N 1 2 377.286 4.003 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000455507175 822668248 /nfs/dbraw/zinc/66/82/48/822668248.db2.gz YPLGZLARIVDYJX-GOSISDBHSA-N 1 2 383.492 4.081 20 0 GIADLO CCOC(=O)c1csc([C@@H]2CCCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)n1 ZINC000455512659 822668860 /nfs/dbraw/zinc/66/88/60/822668860.db2.gz HYEJJLFOEIRKRY-HNNXBMFYSA-N 1 2 388.493 4.009 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCc3c(F)ccc(Br)c3C2)c(C)[nH+]1 ZINC000455515251 822669347 /nfs/dbraw/zinc/66/93/47/822669347.db2.gz KBVZJZUBKAFMDL-UHFFFAOYSA-N 1 2 392.272 4.499 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1C ZINC000184647140 822670605 /nfs/dbraw/zinc/67/06/05/822670605.db2.gz OPRHZJAZQBPOEJ-CQSZACIVSA-N 1 2 375.435 4.216 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(C)o1 ZINC000184670027 822673611 /nfs/dbraw/zinc/67/36/11/822673611.db2.gz DCOPCBXPYXJUMG-BLLLJJGKSA-N 1 2 385.291 4.049 20 0 GIADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cs1 ZINC000184689065 822677059 /nfs/dbraw/zinc/67/70/59/822677059.db2.gz OYJARCPTNXNIAB-QWHCGFSZSA-N 1 2 388.562 4.013 20 0 GIADLO c1ccc(-n2c(C[NH+]3CCCC3)nnc2SCc2nc3ccccc3o2)cc1 ZINC000048660423 822677256 /nfs/dbraw/zinc/67/72/56/822677256.db2.gz ZKIQTTNBQWGTDB-UHFFFAOYSA-N 1 2 391.500 4.297 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)c1cccc(C)c1 ZINC000455577229 822677582 /nfs/dbraw/zinc/67/75/82/822677582.db2.gz JLCNVTXCRWYJMC-LJQANCHMSA-N 1 2 380.536 4.399 20 0 GIADLO Brc1ccccc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000048776442 822682227 /nfs/dbraw/zinc/68/22/27/822682227.db2.gz JEADSVMKPHUBCV-UHFFFAOYSA-N 1 2 382.305 4.413 20 0 GIADLO O=C(Nc1ccc(OCc2ccccc2F)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180451939 822684836 /nfs/dbraw/zinc/68/48/36/822684836.db2.gz VJVXOGAMJMVIHV-LJQANCHMSA-N 1 2 394.450 4.298 20 0 GIADLO COc1ccc(Br)c(C[NH2+]Cc2nc3ccccc3n2C2CC2)c1 ZINC000184782387 822690231 /nfs/dbraw/zinc/69/02/31/822690231.db2.gz BZLYRJSIZTWHCS-UHFFFAOYSA-N 1 2 386.293 4.432 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2ccccc2C(F)(F)F)o1 ZINC000184790031 822691359 /nfs/dbraw/zinc/69/13/59/822691359.db2.gz GEGBLNMJAOKOEP-MLGOLLRUSA-N 1 2 384.398 4.165 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180507100 822693020 /nfs/dbraw/zinc/69/30/20/822693020.db2.gz ZPWWOFXZYQVGIC-SNVBAGLBSA-N 1 2 388.336 4.164 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180507100 822693022 /nfs/dbraw/zinc/69/30/22/822693022.db2.gz ZPWWOFXZYQVGIC-SNVBAGLBSA-N 1 2 388.336 4.164 20 0 GIADLO CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000455666004 822695325 /nfs/dbraw/zinc/69/53/25/822695325.db2.gz VKCGDKWYQMMCNO-NFBKMPQASA-N 1 2 388.515 4.041 20 0 GIADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SC(F)F ZINC000180525101 822696133 /nfs/dbraw/zinc/69/61/33/822696133.db2.gz RYUCGRLBSOSCPN-CQSZACIVSA-N 1 2 380.464 4.117 20 0 GIADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SC(F)F ZINC000180525101 822696135 /nfs/dbraw/zinc/69/61/35/822696135.db2.gz RYUCGRLBSOSCPN-CQSZACIVSA-N 1 2 380.464 4.117 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000184842562 822698767 /nfs/dbraw/zinc/69/87/67/822698767.db2.gz UDVSMGUCFYPXAM-BZNIZROVSA-N 1 2 385.291 4.453 20 0 GIADLO C[C@@H]([NH2+]Cc1ccco1)c1cc(Br)cc(Br)c1O ZINC000184843310 822698770 /nfs/dbraw/zinc/69/87/70/822698770.db2.gz KMNMJCPUSMIPFD-MRVPVSSYSA-N 1 2 375.060 4.361 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N1c2ccccc2CC[C@H]1C)c1ncc(-c2ccccc2)o1 ZINC000184853288 822700684 /nfs/dbraw/zinc/70/06/84/822700684.db2.gz KFSCPMXLHMSTTE-IAGOWNOFSA-N 1 2 375.472 4.360 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)o1 ZINC000184854137 822700922 /nfs/dbraw/zinc/70/09/22/822700922.db2.gz JWNBKHDGDAJYGG-GUYCJALGSA-N 1 2 394.899 4.117 20 0 GIADLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184855958 822701292 /nfs/dbraw/zinc/70/12/92/822701292.db2.gz KBOKXFBQWFWWIN-ULQDDVLXSA-N 1 2 393.487 4.267 20 0 GIADLO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184861361 822702123 /nfs/dbraw/zinc/70/21/23/822702123.db2.gz HHILEEVMPXLMSY-GOSISDBHSA-N 1 2 377.488 4.429 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000184862200 822702358 /nfs/dbraw/zinc/70/23/58/822702358.db2.gz ZGHHSENPKBDCJU-ULQDDVLXSA-N 1 2 375.472 4.359 20 0 GIADLO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184862770 822702515 /nfs/dbraw/zinc/70/25/15/822702515.db2.gz YOBHTSCESNJONX-ZWKOTPCHSA-N 1 2 377.488 4.048 20 0 GIADLO FC(F)CN1CCC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000180576458 822705293 /nfs/dbraw/zinc/70/52/93/822705293.db2.gz XTCPQDQBROARSM-HXUWFJFHSA-N 1 2 398.457 4.099 20 0 GIADLO FC(F)CN1CCC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000180576458 822705295 /nfs/dbraw/zinc/70/52/95/822705295.db2.gz XTCPQDQBROARSM-HXUWFJFHSA-N 1 2 398.457 4.099 20 0 GIADLO COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180598219 822708423 /nfs/dbraw/zinc/70/84/23/822708423.db2.gz JJWNAVDLACTQME-QGZVFWFLSA-N 1 2 392.459 4.381 20 0 GIADLO CC(C)c1noc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000180602979 822709736 /nfs/dbraw/zinc/70/97/36/822709736.db2.gz SFHPTGCXHUBSEJ-CQSZACIVSA-N 1 2 382.439 4.435 20 0 GIADLO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc(Br)cc(F)c1O ZINC000184918253 822712832 /nfs/dbraw/zinc/71/28/32/822712832.db2.gz XQQJRGQRMOCVND-RFAUZJTJSA-N 1 2 388.664 4.331 20 0 GIADLO Cn1ccnc1[C@@H](NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1Cl ZINC000180620425 822714011 /nfs/dbraw/zinc/71/40/11/822714011.db2.gz HTCFKKYWBLJIPX-FQEVSTJZSA-N 1 2 395.869 4.278 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@H](CC)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000180623777 822714765 /nfs/dbraw/zinc/71/47/65/822714765.db2.gz NMFGJSZAMSVBID-GOSISDBHSA-N 1 2 379.460 4.311 20 0 GIADLO CC(C)(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(Cl)c1F ZINC000184941662 822716371 /nfs/dbraw/zinc/71/63/71/822716371.db2.gz JQGAFMXIJNPNFI-UHFFFAOYSA-N 1 2 385.870 4.318 20 0 GIADLO CC(C)(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cccc(Cl)c1F ZINC000184942628 822716399 /nfs/dbraw/zinc/71/63/99/822716399.db2.gz RFZDNLAAUCRIQB-UHFFFAOYSA-N 1 2 399.897 4.360 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000184976072 822720604 /nfs/dbraw/zinc/72/06/04/822720604.db2.gz XMMUCXZTJGAWJE-VIFPVBQESA-N 1 2 377.819 4.413 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2Cl)s1 ZINC000184987535 822722342 /nfs/dbraw/zinc/72/23/42/822722342.db2.gz AXGVVJCJJALSSQ-VIFPVBQESA-N 1 2 388.718 4.157 20 0 GIADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S ZINC000184990066 822722550 /nfs/dbraw/zinc/72/25/50/822722550.db2.gz NUNJLNVXPUHBDT-YJBOKZPZSA-N 1 2 383.521 4.195 20 0 GIADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S ZINC000184990066 822722552 /nfs/dbraw/zinc/72/25/52/822722552.db2.gz NUNJLNVXPUHBDT-YJBOKZPZSA-N 1 2 383.521 4.195 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3cccc(OC(C)C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000455770688 822723469 /nfs/dbraw/zinc/72/34/69/822723469.db2.gz OFFZKCZDQRZWHI-UHFFFAOYSA-N 1 2 397.523 4.050 20 0 GIADLO O=C(CCCOc1ccccc1Cl)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000050332135 822725962 /nfs/dbraw/zinc/72/59/62/822725962.db2.gz VJCGDNCHAODXFF-UHFFFAOYSA-N 1 2 387.911 4.201 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1nccs1 ZINC000185042603 822728366 /nfs/dbraw/zinc/72/83/66/822728366.db2.gz TYTJUJDSAQFIDI-NSHDSACASA-N 1 2 377.819 4.495 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1nccs1 ZINC000185046191 822728825 /nfs/dbraw/zinc/72/88/25/822728825.db2.gz XZZWTIUBLAUQFG-KRWDZBQOSA-N 1 2 379.485 4.054 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)c1nccs1 ZINC000185057875 822730561 /nfs/dbraw/zinc/73/05/61/822730561.db2.gz YCHGTJPMFWWNSP-LLVKDONJSA-N 1 2 388.718 4.238 20 0 GIADLO COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H](CCO)c2ccco2)on1 ZINC000185074887 822733365 /nfs/dbraw/zinc/73/33/65/822733365.db2.gz WGNDFPCEPWDRCS-SFHVURJKSA-N 1 2 378.428 4.310 20 0 GIADLO Cc1nn(C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc12 ZINC000050898775 822742486 /nfs/dbraw/zinc/74/24/86/822742486.db2.gz GOKOBVNQQBQRNP-UHFFFAOYSA-N 1 2 376.287 4.494 20 0 GIADLO Cc1ccc(C[C@H]2CCC[N@@H+](Cn3nc(-c4cccnc4)n(C)c3=S)C2)cc1 ZINC000050923229 822742692 /nfs/dbraw/zinc/74/26/92/822742692.db2.gz DGAKYEGKEPFKFT-LJQANCHMSA-N 1 2 393.560 4.234 20 0 GIADLO Cc1ccc(C[C@H]2CCC[N@H+](Cn3nc(-c4cccnc4)n(C)c3=S)C2)cc1 ZINC000050923229 822742694 /nfs/dbraw/zinc/74/26/94/822742694.db2.gz DGAKYEGKEPFKFT-LJQANCHMSA-N 1 2 393.560 4.234 20 0 GIADLO O=C(CCCc1ccc(Cl)cc1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000051035590 822744544 /nfs/dbraw/zinc/74/45/44/822744544.db2.gz HMHSAKFMBJESKN-UHFFFAOYSA-N 1 2 381.907 4.266 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cc(Br)cc(F)c1O ZINC000185262161 822756449 /nfs/dbraw/zinc/75/64/49/822756449.db2.gz UQMROLVKVMPQLN-LLVKDONJSA-N 1 2 395.272 4.328 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1C ZINC000051334971 822756639 /nfs/dbraw/zinc/75/66/39/822756639.db2.gz OASGRTSINLGFHR-LJQANCHMSA-N 1 2 399.491 4.496 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2cccc(Cl)c2Cl)c1C ZINC000051335676 822756667 /nfs/dbraw/zinc/75/66/67/822756667.db2.gz HCYOHTJXHHBUJD-UHFFFAOYSA-N 1 2 382.291 4.355 20 0 GIADLO Cc1ccc(CCC(=O)NCCCCNc2cccc[nH+]2)c(Br)c1 ZINC000185268352 822757090 /nfs/dbraw/zinc/75/70/90/822757090.db2.gz QWLHZTOLNBRMET-UHFFFAOYSA-N 1 2 390.325 4.094 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455974828 822759859 /nfs/dbraw/zinc/75/98/59/822759859.db2.gz UOBXUJUQUQCSRE-UHFFFAOYSA-N 1 2 397.704 4.299 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(C)cc2Br)c1C ZINC000051584176 822766605 /nfs/dbraw/zinc/76/66/05/822766605.db2.gz FLTSKARVYIBICK-UHFFFAOYSA-N 1 2 378.270 4.100 20 0 GIADLO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000185338181 822768179 /nfs/dbraw/zinc/76/81/79/822768179.db2.gz PMZPGBFIFOQYNG-NSHDSACASA-N 1 2 395.272 4.146 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000456048903 822771189 /nfs/dbraw/zinc/77/11/89/822771189.db2.gz VVUGCQJRRXWGBQ-LSDHHAIUSA-N 1 2 378.303 4.288 20 0 GIADLO C[C@@H](c1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1)C(F)(F)F ZINC000456074557 822774632 /nfs/dbraw/zinc/77/46/32/822774632.db2.gz WBQRLVNKDLXQKW-SCLBCKFNSA-N 1 2 380.385 4.278 20 0 GIADLO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3nc(Cc4ccccc4)no3)cc2)n1 ZINC000185381922 822775479 /nfs/dbraw/zinc/77/54/79/822775479.db2.gz VWMCCHMPELAFID-GOSISDBHSA-N 1 2 387.487 4.314 20 0 GIADLO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000185436840 822783680 /nfs/dbraw/zinc/78/36/80/822783680.db2.gz PXHRYECLCZSDMH-IBGZPJMESA-N 1 2 392.503 4.198 20 0 GIADLO CC(=O)N(C)C1CC[NH+](Cn2ccn(-c3ccccc3C(C)C)c2=S)CC1 ZINC000052085381 822790129 /nfs/dbraw/zinc/79/01/29/822790129.db2.gz FUUMMYLFVGMNOV-UHFFFAOYSA-N 1 2 386.565 4.032 20 0 GIADLO OC1(c2ccccc2)CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000185503672 822791412 /nfs/dbraw/zinc/79/14/12/822791412.db2.gz OQYFGHGZWANWQH-UHFFFAOYSA-N 1 2 380.513 4.206 20 0 GIADLO COc1cccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2ccccc2Cl)c1OC ZINC000052162846 822791912 /nfs/dbraw/zinc/79/19/12/822791912.db2.gz VSOGTRVJMAPHSE-HNNXBMFYSA-N 1 2 390.911 4.009 20 0 GIADLO COc1cccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2Cl)c1OC ZINC000052162846 822791914 /nfs/dbraw/zinc/79/19/14/822791914.db2.gz VSOGTRVJMAPHSE-HNNXBMFYSA-N 1 2 390.911 4.009 20 0 GIADLO C[N@H+](CC1CCC(C(F)(F)F)CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000185522565 822793082 /nfs/dbraw/zinc/79/30/82/822793082.db2.gz JDSFPKCBFHWWAZ-QOZQQMKHSA-N 1 2 395.874 4.469 20 0 GIADLO C[N@@H+](CC1CCC(C(F)(F)F)CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000185522565 822793084 /nfs/dbraw/zinc/79/30/84/822793084.db2.gz JDSFPKCBFHWWAZ-QOZQQMKHSA-N 1 2 395.874 4.469 20 0 GIADLO CC(C)[N@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1ccccn1 ZINC000052218044 822793232 /nfs/dbraw/zinc/79/32/32/822793232.db2.gz XQVPGWFXBBPCEW-UHFFFAOYSA-N 1 2 387.281 4.305 20 0 GIADLO CC(C)[N@@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1ccccn1 ZINC000052218044 822793235 /nfs/dbraw/zinc/79/32/35/822793235.db2.gz XQVPGWFXBBPCEW-UHFFFAOYSA-N 1 2 387.281 4.305 20 0 GIADLO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000052282176 822795644 /nfs/dbraw/zinc/79/56/44/822795644.db2.gz CPLGPRFKLJXDAP-LJQANCHMSA-N 1 2 389.499 4.411 20 0 GIADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(F)cc1Br ZINC000185634086 822804756 /nfs/dbraw/zinc/80/47/56/822804756.db2.gz PQLSCYRVAGBMAS-UHFFFAOYSA-N 1 2 376.273 4.500 20 0 GIADLO O=S(=O)(c1ccc(Cl)c(Cl)c1)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000185681838 822809576 /nfs/dbraw/zinc/80/95/76/822809576.db2.gz XZDPYKWTJJAHAY-UHFFFAOYSA-N 1 2 385.194 4.146 20 0 GIADLO Cc1ccc(-c2nc(C[NH+]3CCC(NC(=O)c4ccccc4C)CC3)cs2)o1 ZINC000052747703 822809382 /nfs/dbraw/zinc/80/93/82/822809382.db2.gz VMCCZYSWHYVHQT-UHFFFAOYSA-N 1 2 395.528 4.414 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NC3(c4ccccc4)CCC3)CC2)cc1 ZINC000174605105 822811285 /nfs/dbraw/zinc/81/12/85/822811285.db2.gz DLTFGKRAQFXWMJ-UHFFFAOYSA-N 1 2 392.547 4.100 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc2cccnc21 ZINC000174611415 822812387 /nfs/dbraw/zinc/81/23/87/822812387.db2.gz NUEQXLKKOBEKAQ-UHFFFAOYSA-N 1 2 389.503 4.400 20 0 GIADLO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CCN1 ZINC000052834886 822812560 /nfs/dbraw/zinc/81/25/60/822812560.db2.gz LMKYLAJFUASZRA-SFHVURJKSA-N 1 2 381.863 4.058 20 0 GIADLO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CCN1 ZINC000052834886 822812564 /nfs/dbraw/zinc/81/25/64/822812564.db2.gz LMKYLAJFUASZRA-SFHVURJKSA-N 1 2 381.863 4.058 20 0 GIADLO CCc1nc(CSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)no1 ZINC000052889651 822814300 /nfs/dbraw/zinc/81/43/00/822814300.db2.gz GZRCVPYALSQILV-HNNXBMFYSA-N 1 2 398.536 4.052 20 0 GIADLO O=C(Nc1cccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1)c1cccs1 ZINC000052909999 822815099 /nfs/dbraw/zinc/81/50/99/822815099.db2.gz HHTANZLGDJHZBT-UHFFFAOYSA-N 1 2 388.452 4.438 20 0 GIADLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(Br)cc3)n2)c1 ZINC000174655466 822818649 /nfs/dbraw/zinc/81/86/49/822818649.db2.gz CRBNCFBSXVZILH-LBPRGKRZSA-N 1 2 388.265 4.359 20 0 GIADLO Cc1c2cc(F)ccc2sc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000053027334 822819301 /nfs/dbraw/zinc/81/93/01/822819301.db2.gz BWBCQLFMPDXUON-UHFFFAOYSA-N 1 2 398.503 4.111 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(OC(F)F)cc3)n2)c1 ZINC000174659086 822819600 /nfs/dbraw/zinc/81/96/00/822819600.db2.gz KHMGKUZKCOGGGT-GFCCVEGCSA-N 1 2 375.375 4.197 20 0 GIADLO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(Cl)ccc1Br)n2C ZINC000185831323 822825241 /nfs/dbraw/zinc/82/52/41/822825241.db2.gz LAZDQRBGZNUYNS-UHFFFAOYSA-N 1 2 394.700 4.288 20 0 GIADLO COCCn1c2ccccc2[nH+]c1NCc1ccccc1OCc1cccnc1 ZINC000185843854 822826725 /nfs/dbraw/zinc/82/67/25/822826725.db2.gz ZXBRRTSFKNSZNF-UHFFFAOYSA-N 1 2 388.471 4.269 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000174738233 822830559 /nfs/dbraw/zinc/83/05/59/822830559.db2.gz SCWVOFPDEBUMPG-HSZRJFAPSA-N 1 2 392.547 4.481 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000174738701 822830702 /nfs/dbraw/zinc/83/07/02/822830702.db2.gz ZHQCVWNUHAZEJP-HSZRJFAPSA-N 1 2 392.547 4.172 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000053333605 822830789 /nfs/dbraw/zinc/83/07/89/822830789.db2.gz WZURAKDJHZFUEN-UHFFFAOYSA-N 1 2 379.273 4.276 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000053333605 822830792 /nfs/dbraw/zinc/83/07/92/822830792.db2.gz WZURAKDJHZFUEN-UHFFFAOYSA-N 1 2 379.273 4.276 20 0 GIADLO Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000174741480 822831060 /nfs/dbraw/zinc/83/10/60/822831060.db2.gz AWOSWWOBTCBXAR-UHFFFAOYSA-N 1 2 388.427 4.178 20 0 GIADLO O=C(NCCc1[nH]cc[nH+]1)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000174746374 822831617 /nfs/dbraw/zinc/83/16/17/822831617.db2.gz QHOSKYBNPFQIRF-UHFFFAOYSA-N 1 2 376.243 4.481 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000185955064 822836850 /nfs/dbraw/zinc/83/68/50/822836850.db2.gz OFTCHUSKAMXBQH-WCQYABFASA-N 1 2 383.439 4.180 20 0 GIADLO Cc1cccc(-n2ncc(C(=O)NCc3c[nH+]c(C)cc3C)c2C(F)(F)F)c1 ZINC000456861675 822838997 /nfs/dbraw/zinc/83/89/97/822838997.db2.gz PBLNQHXDTOMPTJ-UHFFFAOYSA-N 1 2 388.393 4.141 20 0 GIADLO Cc1ccc(C2=CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000053643147 822843666 /nfs/dbraw/zinc/84/36/66/822843666.db2.gz VCTGDSZEUNTFBJ-UHFFFAOYSA-N 1 2 388.427 4.018 20 0 GIADLO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H]3c3ccc(Br)cc3)nc12 ZINC000053714619 822845646 /nfs/dbraw/zinc/84/56/46/822845646.db2.gz OCIGHXQMJQZEMK-GOSISDBHSA-N 1 2 398.304 4.103 20 0 GIADLO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H]3c3ccc(Br)cc3)nc12 ZINC000053714619 822845649 /nfs/dbraw/zinc/84/56/49/822845649.db2.gz OCIGHXQMJQZEMK-GOSISDBHSA-N 1 2 398.304 4.103 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000174895560 822852052 /nfs/dbraw/zinc/85/20/52/822852052.db2.gz UCCWDHIMPRKPCM-UHFFFAOYSA-N 1 2 390.531 4.179 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCn1ccc2ccccc21 ZINC000174904901 822853650 /nfs/dbraw/zinc/85/36/50/822853650.db2.gz WJWVMTPHHJOLBP-UHFFFAOYSA-N 1 2 390.531 4.192 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(OCC2CC2)cc1 ZINC000174908781 822854190 /nfs/dbraw/zinc/85/41/90/822854190.db2.gz QYXQULKSCFHROA-UHFFFAOYSA-N 1 2 393.531 4.249 20 0 GIADLO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(O)cc(F)c1 ZINC000186161197 822857024 /nfs/dbraw/zinc/85/70/24/822857024.db2.gz MQYNTVKHAKNZSD-UHFFFAOYSA-N 1 2 384.373 4.399 20 0 GIADLO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(O)cc(F)c1 ZINC000186161197 822857026 /nfs/dbraw/zinc/85/70/26/822857026.db2.gz MQYNTVKHAKNZSD-UHFFFAOYSA-N 1 2 384.373 4.399 20 0 GIADLO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)Cc2cc(O)cc(F)c2)cc1 ZINC000186185356 822859068 /nfs/dbraw/zinc/85/90/68/822859068.db2.gz IRKPYTBLHVRZQW-UHFFFAOYSA-N 1 2 394.446 4.219 20 0 GIADLO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)Cc2cc(O)cc(F)c2)cc1 ZINC000186185356 822859071 /nfs/dbraw/zinc/85/90/71/822859071.db2.gz IRKPYTBLHVRZQW-UHFFFAOYSA-N 1 2 394.446 4.219 20 0 GIADLO C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1nc(C(F)(F)F)cs1 ZINC000174979362 822863592 /nfs/dbraw/zinc/86/35/92/822863592.db2.gz NZLATYQZEVTONK-UHFFFAOYSA-N 1 2 377.819 4.276 20 0 GIADLO C[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1nc(C(F)(F)F)cs1 ZINC000174979362 822863597 /nfs/dbraw/zinc/86/35/97/822863597.db2.gz NZLATYQZEVTONK-UHFFFAOYSA-N 1 2 377.819 4.276 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[N@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000186239519 822863765 /nfs/dbraw/zinc/86/37/65/822863765.db2.gz ZTODUGVZUUUYMS-OAHLLOKOSA-N 1 2 398.532 4.222 20 0 GIADLO CCOC(=O)c1nn(C)cc1C[N@@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000186239519 822863768 /nfs/dbraw/zinc/86/37/68/822863768.db2.gz ZTODUGVZUUUYMS-OAHLLOKOSA-N 1 2 398.532 4.222 20 0 GIADLO FC(F)(F)c1ccc(-n2nnnc2C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000054153062 822864487 /nfs/dbraw/zinc/86/44/87/822864487.db2.gz MCHGCCLBVVVTME-AWEZNQCLSA-N 1 2 379.411 4.080 20 0 GIADLO FC(F)(F)c1ccc(-n2nnnc2C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000054153062 822864491 /nfs/dbraw/zinc/86/44/91/822864491.db2.gz MCHGCCLBVVVTME-AWEZNQCLSA-N 1 2 379.411 4.080 20 0 GIADLO Cc1csc(N2CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)n1 ZINC000054174786 822865867 /nfs/dbraw/zinc/86/58/67/822865867.db2.gz OSWKQOZILIPQCY-UHFFFAOYSA-N 1 2 392.528 4.026 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cccc2Cl)cc1OC ZINC000175019143 822868423 /nfs/dbraw/zinc/86/84/23/822868423.db2.gz AWJXVRVFMNNNLY-NEPJUHHUSA-N 1 2 380.847 4.174 20 0 GIADLO CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cs1 ZINC000186276879 822869057 /nfs/dbraw/zinc/86/90/57/822869057.db2.gz WWZMPCMVHJINTO-CRAIPNDOSA-N 1 2 387.549 4.026 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2c(F)cccc2Cl)c1 ZINC000175025491 822870012 /nfs/dbraw/zinc/87/00/12/822870012.db2.gz CCTLXKOABBNUQY-RYUDHWBXSA-N 1 2 380.847 4.174 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc(NCC(F)(F)F)c1 ZINC000569036146 822871918 /nfs/dbraw/zinc/87/19/18/822871918.db2.gz ZQRCLGJVLVGKJD-UHFFFAOYSA-N 1 2 398.335 4.236 20 0 GIADLO CC[C@H](CC(F)F)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000457400004 822872968 /nfs/dbraw/zinc/87/29/68/822872968.db2.gz YPALBTGBPGEIRY-CQSZACIVSA-N 1 2 379.476 4.321 20 0 GIADLO CC[C@H](CC(F)F)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000457400004 822872971 /nfs/dbraw/zinc/87/29/71/822872971.db2.gz YPALBTGBPGEIRY-CQSZACIVSA-N 1 2 379.476 4.321 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1nc2ccccc2cc1Cl ZINC000569054919 822874420 /nfs/dbraw/zinc/87/44/20/822874420.db2.gz RVJOFWAKVQWMHA-UHFFFAOYSA-N 1 2 390.874 4.106 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1C(F)(F)F ZINC000186312122 822874751 /nfs/dbraw/zinc/87/47/51/822874751.db2.gz RRLOSKBMPBIBFL-UHFFFAOYSA-N 1 2 379.769 4.475 20 0 GIADLO Cn1c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 ZINC000186320068 822875826 /nfs/dbraw/zinc/87/58/26/822875826.db2.gz ILINJUBSIPHAKR-KRWDZBQOSA-N 1 2 396.878 4.201 20 0 GIADLO Cn1c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 ZINC000186320068 822875829 /nfs/dbraw/zinc/87/58/29/822875829.db2.gz ILINJUBSIPHAKR-KRWDZBQOSA-N 1 2 396.878 4.201 20 0 GIADLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)NC1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000186326720 822876575 /nfs/dbraw/zinc/87/65/75/822876575.db2.gz HYWJLCCWGWSUDK-NRFANRHFSA-N 1 2 378.520 4.161 20 0 GIADLO O=C(C1CCN(c2[nH+]ccc3cc(F)ccc32)CC1)N1CCc2ccccc21 ZINC000569098418 822879832 /nfs/dbraw/zinc/87/98/32/822879832.db2.gz FPQXAMRLSNTWKT-UHFFFAOYSA-N 1 2 375.447 4.180 20 0 GIADLO CC1(C)OCc2cc(CNc3ccccc3OCCn3cc[nH+]c3)ccc2O1 ZINC000186354910 822880920 /nfs/dbraw/zinc/88/09/20/822880920.db2.gz JBJDYXMGSHZCJV-UHFFFAOYSA-N 1 2 379.460 4.219 20 0 GIADLO CCOc1c(F)cccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000175125455 822887567 /nfs/dbraw/zinc/88/75/67/822887567.db2.gz AZRKUEAHVYMLCA-CYBMUJFWSA-N 1 2 377.485 4.165 20 0 GIADLO CCOc1c(F)cccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000175125455 822887570 /nfs/dbraw/zinc/88/75/70/822887570.db2.gz AZRKUEAHVYMLCA-CYBMUJFWSA-N 1 2 377.485 4.165 20 0 GIADLO CCOc1c(F)cccc1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000175139141 822890059 /nfs/dbraw/zinc/89/00/59/822890059.db2.gz ZHPVLFQYUJCTDO-HOTGVXAUSA-N 1 2 386.467 4.086 20 0 GIADLO COc1ccc(CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1OC ZINC000569189853 822890667 /nfs/dbraw/zinc/89/06/67/822890667.db2.gz PLILDSIDKZMYAZ-UHFFFAOYSA-N 1 2 391.471 4.085 20 0 GIADLO CC[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(OC(F)F)cc1 ZINC000186425383 822892649 /nfs/dbraw/zinc/89/26/49/822892649.db2.gz QHIDGSPHNYZNDR-QGZVFWFLSA-N 1 2 388.418 4.226 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC000569210937 822893532 /nfs/dbraw/zinc/89/35/32/822893532.db2.gz SOHPUPFNKIGJSX-UHFFFAOYSA-N 1 2 385.471 4.243 20 0 GIADLO COc1ccccc1[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)C1CCCC1 ZINC000186429543 822893599 /nfs/dbraw/zinc/89/35/99/822893599.db2.gz WNMYTKNJMRMNOG-QHCPKHFHSA-N 1 2 392.503 4.413 20 0 GIADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2cccs2)o1)c1ccccc1 ZINC000175167408 822896511 /nfs/dbraw/zinc/89/65/11/822896511.db2.gz YVFNKDIEXFHYMK-QGZVFWFLSA-N 1 2 381.501 4.188 20 0 GIADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1ncc(-c2cccs2)o1)c1ccccc1 ZINC000175167408 822896517 /nfs/dbraw/zinc/89/65/17/822896517.db2.gz YVFNKDIEXFHYMK-QGZVFWFLSA-N 1 2 381.501 4.188 20 0 GIADLO CN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000457612325 822897273 /nfs/dbraw/zinc/89/72/73/822897273.db2.gz VOBBXQAKSYZEGD-SFTDATJTSA-N 1 2 378.520 4.160 20 0 GIADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2nnc(-c3ccc(Cl)cc3)n2C)c1 ZINC000186461766 822899285 /nfs/dbraw/zinc/89/92/85/822899285.db2.gz XIMSFXQDECAERG-ZDUSSCGKSA-N 1 2 386.883 4.004 20 0 GIADLO COC(=O)C[C@@](C)([NH2+]Cc1nc(C(C)(C)C)cs1)c1cccc(OC)c1 ZINC000569286950 822901797 /nfs/dbraw/zinc/90/17/97/822901797.db2.gz NHWBNGZEDAGITQ-HXUWFJFHSA-N 1 2 376.522 4.017 20 0 GIADLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3c(C(C)C)cccc3C(C)C)C2)n1 ZINC000054677432 822905121 /nfs/dbraw/zinc/90/51/21/822905121.db2.gz PPURBHMPZVTCNL-KRWDZBQOSA-N 1 2 384.524 4.443 20 0 GIADLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3c(C(C)C)cccc3C(C)C)C2)n1 ZINC000054677432 822905125 /nfs/dbraw/zinc/90/51/25/822905125.db2.gz PPURBHMPZVTCNL-KRWDZBQOSA-N 1 2 384.524 4.443 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCc2cccs2)C[C@@H](C)O1 ZINC000175210696 822905219 /nfs/dbraw/zinc/90/52/19/822905219.db2.gz FBHCPNXXNNHHQW-IAGOWNOFSA-N 1 2 387.549 4.064 20 0 GIADLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1O ZINC000186508570 822906443 /nfs/dbraw/zinc/90/64/43/822906443.db2.gz YEWUUKUQDSESAE-UHFFFAOYSA-N 1 2 395.833 4.010 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1sc(C)cc1Br ZINC000457763968 822916355 /nfs/dbraw/zinc/91/63/55/822916355.db2.gz RJHKWFGBQLKMFC-UHFFFAOYSA-N 1 2 384.343 4.130 20 0 GIADLO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000457769089 822916890 /nfs/dbraw/zinc/91/68/90/822916890.db2.gz TZGKJAOVDHPNDH-GOSISDBHSA-N 1 2 395.528 4.389 20 0 GIADLO CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(COC)c3)c2C1 ZINC000186584377 822917613 /nfs/dbraw/zinc/91/76/13/822917613.db2.gz XEWUILXDICZFDJ-INIZCTEOSA-N 1 2 388.533 4.138 20 0 GIADLO CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(COC)c3)c2C1 ZINC000186584377 822917615 /nfs/dbraw/zinc/91/76/15/822917615.db2.gz XEWUILXDICZFDJ-INIZCTEOSA-N 1 2 388.533 4.138 20 0 GIADLO CC(C)[C@@H](NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000054886494 822919800 /nfs/dbraw/zinc/91/98/00/822919800.db2.gz DWAVGVJNNVSOQZ-HSZRJFAPSA-N 1 2 396.506 4.234 20 0 GIADLO CO[C@H](C)c1nc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)cs1 ZINC000175272741 822921496 /nfs/dbraw/zinc/92/14/96/822921496.db2.gz BUVMSWHATKXGFR-HUUCEWRRSA-N 1 2 379.957 4.383 20 0 GIADLO CC[C@H](C)Oc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000175285075 822924367 /nfs/dbraw/zinc/92/43/67/822924367.db2.gz FLKHIILAFJOBEU-SFHVURJKSA-N 1 2 377.488 4.081 20 0 GIADLO Cc1cccc(COc2ccc([C@H](C)NC(=O)[C@@H]3CCc4c[nH+]cn4C3)cc2)c1 ZINC000569461391 822925836 /nfs/dbraw/zinc/92/58/36/822925836.db2.gz ZKKKTIGVEXSIES-GHTZIAJQSA-N 1 2 389.499 4.210 20 0 GIADLO CCCc1nc(C)c(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000569474934 822927468 /nfs/dbraw/zinc/92/74/68/822927468.db2.gz CRDGNRMZLUUNLC-OAHLLOKOSA-N 1 2 387.553 4.348 20 0 GIADLO CCOc1cccc(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000175348283 822941437 /nfs/dbraw/zinc/94/14/37/822941437.db2.gz BBQQVOKQZQOOLJ-UHFFFAOYSA-N 1 2 382.508 4.251 20 0 GIADLO CC(C)Oc1ccc(Cl)cc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000055221723 822946744 /nfs/dbraw/zinc/94/67/44/822946744.db2.gz MGDHGJCZFQFDNW-UHFFFAOYSA-N 1 2 383.879 4.302 20 0 GIADLO Cc1[nH]c2ccc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)cc2[nH+]1 ZINC000055228223 822946937 /nfs/dbraw/zinc/94/69/37/822946937.db2.gz SVYUNMJGGKEKRM-OAQYLSRUSA-N 1 2 398.466 4.371 20 0 GIADLO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175364151 822947223 /nfs/dbraw/zinc/94/72/23/822947223.db2.gz RWEWUAJWIRRHFL-KNQAVFIVSA-N 1 2 388.515 4.062 20 0 GIADLO COc1cc(C)c(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1F ZINC000186741499 822948378 /nfs/dbraw/zinc/94/83/78/822948378.db2.gz BYJGDXFHNRRBDX-FPOVZHCZSA-N 1 2 394.450 4.390 20 0 GIADLO Cc1c(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)sc2ccc(Cl)cc12 ZINC000569659035 822951612 /nfs/dbraw/zinc/95/16/12/822951612.db2.gz JSFMRRSUWRUYLK-ZDUSSCGKSA-N 1 2 388.924 4.296 20 0 GIADLO O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055356659 822954422 /nfs/dbraw/zinc/95/44/22/822954422.db2.gz IMXBNNGDKBZSNM-UHFFFAOYSA-N 1 2 391.431 4.023 20 0 GIADLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(C)c1C ZINC000175390178 822956160 /nfs/dbraw/zinc/95/61/60/822956160.db2.gz ZGWMXKLNXDNSNC-SXBQZSJRSA-N 1 2 378.563 4.042 20 0 GIADLO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(C)c1C ZINC000175390178 822956163 /nfs/dbraw/zinc/95/61/63/822956163.db2.gz ZGWMXKLNXDNSNC-SXBQZSJRSA-N 1 2 378.563 4.042 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000175393482 822957425 /nfs/dbraw/zinc/95/74/25/822957425.db2.gz GDFNIHNZAVXZQS-QWVSSGJLSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000175393482 822957428 /nfs/dbraw/zinc/95/74/28/822957428.db2.gz GDFNIHNZAVXZQS-QWVSSGJLSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(OCc2nccn2C)cc1 ZINC000186821802 822961416 /nfs/dbraw/zinc/96/14/16/822961416.db2.gz AWQCFPQEASIXBO-MRXNPFEDSA-N 1 2 398.507 4.153 20 0 GIADLO CC[C@@H](C)[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2[nH]1 ZINC000055441910 822963085 /nfs/dbraw/zinc/96/30/85/822963085.db2.gz GVAFFCFNIYWDNJ-IERDGZPVSA-N 1 2 387.487 4.325 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000175420904 822964628 /nfs/dbraw/zinc/96/46/28/822964628.db2.gz XQDMDPPISALNCE-JGTBNHKDSA-N 1 2 398.450 4.074 20 0 GIADLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000175420904 822964630 /nfs/dbraw/zinc/96/46/30/822964630.db2.gz XQDMDPPISALNCE-JGTBNHKDSA-N 1 2 398.450 4.074 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000186901358 822976956 /nfs/dbraw/zinc/97/69/56/822976956.db2.gz OJSMELGXUPHKQQ-HSZRJFAPSA-N 1 2 378.447 4.470 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000186901358 822976962 /nfs/dbraw/zinc/97/69/62/822976962.db2.gz OJSMELGXUPHKQQ-HSZRJFAPSA-N 1 2 378.447 4.470 20 0 GIADLO C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ncc(Br)cc1F ZINC000186914879 822979359 /nfs/dbraw/zinc/97/93/59/822979359.db2.gz GIGSFMDUCHXLHC-WFASDCNBSA-N 1 2 382.277 4.064 20 0 GIADLO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2Cc3cccc(Br)c3C2)C1 ZINC000186915396 822979403 /nfs/dbraw/zinc/97/94/03/822979403.db2.gz NBXYJHNNBDMPCH-CYBMUJFWSA-N 1 2 381.314 4.022 20 0 GIADLO CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2Cc3cccc(Br)c3C2)C1 ZINC000186915396 822979407 /nfs/dbraw/zinc/97/94/07/822979407.db2.gz NBXYJHNNBDMPCH-CYBMUJFWSA-N 1 2 381.314 4.022 20 0 GIADLO Cc1cccn2cc(CC(=O)Nc3ccccc3O[C@H](C)C(F)(F)F)[nH+]c12 ZINC000569886326 822980673 /nfs/dbraw/zinc/98/06/73/822980673.db2.gz ZEPRLYHQTULFSR-CYBMUJFWSA-N 1 2 377.366 4.154 20 0 GIADLO O=C(Nc1c(-c2cccs2)nc2ccccn21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000569891633 822981524 /nfs/dbraw/zinc/98/15/24/822981524.db2.gz BWNHFEQJGYAPRX-CQSZACIVSA-N 1 2 392.488 4.197 20 0 GIADLO COc1cc(OC)c(NC(=O)C[NH+]2CCC(c3ccsc3)CC2)cc1Cl ZINC000186934105 822983226 /nfs/dbraw/zinc/98/32/26/822983226.db2.gz FQKCWZNNLRXHNJ-UHFFFAOYSA-N 1 2 394.924 4.237 20 0 GIADLO CCC[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCC1 ZINC000458347195 822985507 /nfs/dbraw/zinc/98/55/07/822985507.db2.gz SLASOPFVVWKFNQ-HXUWFJFHSA-N 1 2 382.508 4.001 20 0 GIADLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc(OC)c1 ZINC000569969075 822991222 /nfs/dbraw/zinc/99/12/22/822991222.db2.gz RJNPSNSXKGLMME-IBGZPJMESA-N 1 2 397.393 4.176 20 0 GIADLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc(OC)c1 ZINC000569969075 822991227 /nfs/dbraw/zinc/99/12/27/822991227.db2.gz RJNPSNSXKGLMME-IBGZPJMESA-N 1 2 397.393 4.176 20 0 GIADLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)[C@H]2c2cccs2)c1 ZINC000569978686 822992590 /nfs/dbraw/zinc/99/25/90/822992590.db2.gz KVHXNZNFUJOOJD-KBXCAEBGSA-N 1 2 386.517 4.253 20 0 GIADLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC(C)(C)[C@H]2c2cccs2)c1 ZINC000569978686 822992594 /nfs/dbraw/zinc/99/25/94/822992594.db2.gz KVHXNZNFUJOOJD-KBXCAEBGSA-N 1 2 386.517 4.253 20 0 GIADLO C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ncc(Br)cc1F ZINC000186994265 822993982 /nfs/dbraw/zinc/99/39/82/822993982.db2.gz JSADARZXSGQQIB-ZDUSSCGKSA-N 1 2 389.272 4.079 20 0 GIADLO OCCCCCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000175549731 822995314 /nfs/dbraw/zinc/99/53/14/822995314.db2.gz DYNWDMOKUYFFFC-UHFFFAOYSA-N 1 2 392.544 4.037 20 0 GIADLO Cc1cc(F)cc(-n2nc(C(=O)Nc3cccc4c3C[N@H+](C)C4)c3c2CCC3)c1 ZINC000570038665 822999878 /nfs/dbraw/zinc/99/98/78/822999878.db2.gz GRCANCMQDSBYRW-UHFFFAOYSA-N 1 2 390.462 4.006 20 0 GIADLO Cc1cc(F)cc(-n2nc(C(=O)Nc3cccc4c3C[N@@H+](C)C4)c3c2CCC3)c1 ZINC000570038665 822999880 /nfs/dbraw/zinc/99/98/80/822999880.db2.gz GRCANCMQDSBYRW-UHFFFAOYSA-N 1 2 390.462 4.006 20 0 GIADLO COc1ccc([C@H](C)[N@H+](C)Cc2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC000175575858 823000863 /nfs/dbraw/zinc/00/08/63/823000863.db2.gz RIDKLQRAPZVZTC-INIZCTEOSA-N 1 2 395.528 4.275 20 0 GIADLO COc1ccc([C@H](C)[N@@H+](C)Cc2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC000175575858 823000868 /nfs/dbraw/zinc/00/08/68/823000868.db2.gz RIDKLQRAPZVZTC-INIZCTEOSA-N 1 2 395.528 4.275 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C/C=C/c2ccccc2F)C[C@@H](C)O1 ZINC000175592344 823003637 /nfs/dbraw/zinc/00/36/37/823003637.db2.gz GRAXRRMDUURGHC-CVRCPQJVSA-N 1 2 382.479 4.477 20 0 GIADLO Cc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(-c2nc(C3CC3)no2)c1 ZINC000570076641 823003827 /nfs/dbraw/zinc/00/38/27/823003827.db2.gz CBQFMZVFDIGJEX-UHFFFAOYSA-N 1 2 399.454 4.420 20 0 GIADLO COc1cc(Cl)c(Cl)cc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175609304 823006030 /nfs/dbraw/zinc/00/60/30/823006030.db2.gz FVVXELLLRWNGHQ-UHFFFAOYSA-N 1 2 390.270 4.177 20 0 GIADLO C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)Cc1c[nH+]cn1C ZINC000570112763 823006941 /nfs/dbraw/zinc/00/69/41/823006941.db2.gz FOOANJRGUOPPNO-OAHLLOKOSA-N 1 2 387.936 4.338 20 0 GIADLO O=C(C[C@@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1)NCc1ccc(F)cc1 ZINC000570158114 823011338 /nfs/dbraw/zinc/01/13/38/823011338.db2.gz NSUQUSBINMPMTL-KRWDZBQOSA-N 1 2 395.453 4.436 20 0 GIADLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000570167858 823011808 /nfs/dbraw/zinc/01/18/08/823011808.db2.gz LNNLPTLDEOFWKL-OAHLLOKOSA-N 1 2 398.503 4.396 20 0 GIADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000570167858 823011811 /nfs/dbraw/zinc/01/18/11/823011811.db2.gz LNNLPTLDEOFWKL-OAHLLOKOSA-N 1 2 398.503 4.396 20 0 GIADLO Cc1ccc(C[S@@](=O)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(C)[nH+]1 ZINC000187234348 823028658 /nfs/dbraw/zinc/02/86/58/823028658.db2.gz NPELKSXULBJSHM-ZJWNCGCPSA-N 1 2 399.343 4.131 20 0 GIADLO CC[C@H](C)c1ccc(NC(=O)Cc2noc([C@H](c3ccccc3)[NH+](C)C)n2)cc1 ZINC000570364628 823029329 /nfs/dbraw/zinc/02/93/29/823029329.db2.gz SYYAOONTJVSADF-AOMKIAJQSA-N 1 2 392.503 4.415 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC000570364921 823029557 /nfs/dbraw/zinc/02/95/57/823029557.db2.gz DCPUHYDSPBOXMX-MFKMUULPSA-N 1 2 389.418 4.219 20 0 GIADLO CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000187247264 823029983 /nfs/dbraw/zinc/02/99/83/823029983.db2.gz RHGXJZGETMDZBH-KDOFPFPSSA-N 1 2 376.888 4.439 20 0 GIADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCn3cncc3C2)cc1C ZINC000570370382 823030345 /nfs/dbraw/zinc/03/03/45/823030345.db2.gz PVGBNOFCJBLCFX-UHFFFAOYSA-N 1 2 383.499 4.368 20 0 GIADLO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCn3cncc3C2)cc1C ZINC000570370382 823030349 /nfs/dbraw/zinc/03/03/49/823030349.db2.gz PVGBNOFCJBLCFX-UHFFFAOYSA-N 1 2 383.499 4.368 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccccc1OCC1CC1 ZINC000187257406 823031506 /nfs/dbraw/zinc/03/15/06/823031506.db2.gz ZOYOMAJHNDVJNX-UHFFFAOYSA-N 1 2 393.936 4.212 20 0 GIADLO COc1ccc([C@@H](C)CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000175770093 823036105 /nfs/dbraw/zinc/03/61/05/823036105.db2.gz CFHGYBVEJIMFOR-KRWDZBQOSA-N 1 2 379.460 4.103 20 0 GIADLO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187293272 823037956 /nfs/dbraw/zinc/03/79/56/823037956.db2.gz CWZNGBMYLVCTQL-ZDUSSCGKSA-N 1 2 397.288 4.168 20 0 GIADLO C[C@H](N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437915 823038359 /nfs/dbraw/zinc/03/83/59/823038359.db2.gz HYEOQRJPNLPWIU-KYNGSXCRSA-N 1 2 382.508 4.440 20 0 GIADLO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437915 823038360 /nfs/dbraw/zinc/03/83/60/823038360.db2.gz HYEOQRJPNLPWIU-KYNGSXCRSA-N 1 2 382.508 4.440 20 0 GIADLO C[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000570445626 823039644 /nfs/dbraw/zinc/03/96/44/823039644.db2.gz CFWQSRSRZGSEJF-MAODMQOUSA-N 1 2 393.462 4.059 20 0 GIADLO COc1ccccc1-c1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000190158672 823544439 /nfs/dbraw/zinc/54/44/39/823544439.db2.gz FRSYGTAPDDZBBK-QUCCMNQESA-N 1 2 379.460 4.016 20 0 GIADLO COc1ccccc1-c1ccc(C[N@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000190158672 823544442 /nfs/dbraw/zinc/54/44/42/823544442.db2.gz FRSYGTAPDDZBBK-QUCCMNQESA-N 1 2 379.460 4.016 20 0 GIADLO CCCCN1C(=O)CC[C@H](C(=O)Nc2cc[nH+]c(C)c2)[C@H]1c1ccccc1OC ZINC000123841758 823544826 /nfs/dbraw/zinc/54/48/26/823544826.db2.gz YMRLGGGDNVKYFC-SIKLNZKXSA-N 1 2 395.503 4.117 20 0 GIADLO Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000177917837 823546135 /nfs/dbraw/zinc/54/61/35/823546135.db2.gz OBDQPGJIXSWPGI-UHFFFAOYSA-N 1 2 399.454 4.497 20 0 GIADLO CN(C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1)c1nc2ccccc2s1 ZINC000190191086 823548741 /nfs/dbraw/zinc/54/87/41/823548741.db2.gz YZZLJFMXIREDLG-CQSZACIVSA-N 1 2 385.455 4.170 20 0 GIADLO CN(C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1)c1nc2ccccc2s1 ZINC000190191086 823548743 /nfs/dbraw/zinc/54/87/43/823548743.db2.gz YZZLJFMXIREDLG-CQSZACIVSA-N 1 2 385.455 4.170 20 0 GIADLO CCCCCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411151643 823552165 /nfs/dbraw/zinc/55/21/65/823552165.db2.gz BTRCBNALVHZYFK-UHFFFAOYSA-N 1 2 398.894 4.145 20 0 GIADLO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)cc1 ZINC000123950586 823554518 /nfs/dbraw/zinc/55/45/18/823554518.db2.gz URJMDVXPUIQUFH-GJZGRUSLSA-N 1 2 384.505 4.282 20 0 GIADLO COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)cc1 ZINC000123950798 823554566 /nfs/dbraw/zinc/55/45/66/823554566.db2.gz URJMDVXPUIQUFH-CABCVRRESA-N 1 2 384.505 4.282 20 0 GIADLO CC[C@H](C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)[NH+](CC)CC ZINC000460982054 823555428 /nfs/dbraw/zinc/55/54/28/823555428.db2.gz SDERVMHHURZJTF-LJQANCHMSA-N 1 2 377.492 4.198 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000411201871 823556795 /nfs/dbraw/zinc/55/67/95/823556795.db2.gz MOARBPQFEMPSFC-AWEZNQCLSA-N 1 2 393.409 4.184 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NCC2CCC(c3ccccc3)CC2)c(C)[nH+]1 ZINC000411221852 823558305 /nfs/dbraw/zinc/55/83/05/823558305.db2.gz FFKDLILASUTJHV-UHFFFAOYSA-N 1 2 379.504 4.036 20 0 GIADLO Cc1cccnc1[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)C ZINC000124057856 823563926 /nfs/dbraw/zinc/56/39/26/823563926.db2.gz JVZLBTVTZUHOBO-HKUYNNGSSA-N 1 2 386.565 4.237 20 0 GIADLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccc(Cl)cc3F)CCCCCC2)no1 ZINC000411361491 823566500 /nfs/dbraw/zinc/56/65/00/823566500.db2.gz ZWQSAUGLKUXDOE-UHFFFAOYSA-N 1 2 394.878 4.338 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccccc2)C2CCCCC2)c(C)[nH+]1 ZINC000411387532 823568596 /nfs/dbraw/zinc/56/85/96/823568596.db2.gz SCGJOIYHCFCODW-UHFFFAOYSA-N 1 2 379.504 4.307 20 0 GIADLO CCn1c(=S)n(C[N@H+](CC)Cc2c[nH]c3ccccc23)nc1-c1cccnc1 ZINC000190396484 823569196 /nfs/dbraw/zinc/56/91/96/823569196.db2.gz KVKBKNAOBRBIEY-UHFFFAOYSA-N 1 2 392.532 4.457 20 0 GIADLO CCn1c(=S)n(C[N@@H+](CC)Cc2c[nH]c3ccccc23)nc1-c1cccnc1 ZINC000190396484 823569197 /nfs/dbraw/zinc/56/91/97/823569197.db2.gz KVKBKNAOBRBIEY-UHFFFAOYSA-N 1 2 392.532 4.457 20 0 GIADLO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000190406199 823570093 /nfs/dbraw/zinc/57/00/93/823570093.db2.gz UDAWGZCTPLPQIH-KRWDZBQOSA-N 1 2 388.371 4.191 20 0 GIADLO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000190406199 823570095 /nfs/dbraw/zinc/57/00/95/823570095.db2.gz UDAWGZCTPLPQIH-KRWDZBQOSA-N 1 2 388.371 4.191 20 0 GIADLO COC(=O)c1sccc1C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000190429458 823572624 /nfs/dbraw/zinc/57/26/24/823572624.db2.gz MACXRICYXREVGE-JTQLQIEISA-N 1 2 384.295 4.157 20 0 GIADLO CCc1ccc(C[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)nc1 ZINC000411451682 823575985 /nfs/dbraw/zinc/57/59/85/823575985.db2.gz IAZHAMFQPCNMQS-GFCCVEGCSA-N 1 2 377.282 4.029 20 0 GIADLO O=C(c1ccc(O)c(Cl)c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000061072265 823577096 /nfs/dbraw/zinc/57/70/96/823577096.db2.gz FNUPHRQQZLIKKL-UHFFFAOYSA-N 1 2 380.875 4.157 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@@H]2Cc3ccccc32)cc1 ZINC000461116920 823580324 /nfs/dbraw/zinc/58/03/24/823580324.db2.gz ZCPRUZUTOUIQRO-HSZRJFAPSA-N 1 2 389.499 4.041 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190518157 823582931 /nfs/dbraw/zinc/58/29/31/823582931.db2.gz WLRAUAUVAXBCBO-CQSZACIVSA-N 1 2 391.874 4.053 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000190553048 823585602 /nfs/dbraw/zinc/58/56/02/823585602.db2.gz LHGXOLAVWVPCML-IERDGZPVSA-N 1 2 386.515 4.330 20 0 GIADLO CC(C)c1ccc(-c2noc(C[NH+]3CCC(Oc4ccc(F)nc4)CC3)n2)cc1 ZINC000190554786 823585783 /nfs/dbraw/zinc/58/57/83/823585783.db2.gz IGBJJNZZEULFKS-UHFFFAOYSA-N 1 2 396.466 4.438 20 0 GIADLO Cc1c2cccc(Cl)c2[nH]c1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000411614461 823590841 /nfs/dbraw/zinc/59/08/41/823590841.db2.gz PSRMMXVXCQKZHE-UHFFFAOYSA-N 1 2 383.879 4.214 20 0 GIADLO CC(=O)Nc1cccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1C ZINC000190621456 823592516 /nfs/dbraw/zinc/59/25/16/823592516.db2.gz RNJSZPOMDQOJSJ-UHFFFAOYSA-N 1 2 388.471 4.406 20 0 GIADLO Cc1ccc([C@H]([NH2+]CC(=O)N2CCC[C@H]3CCCC[C@H]32)c2ccccn2)cc1 ZINC000411657373 823595040 /nfs/dbraw/zinc/59/50/40/823595040.db2.gz GSUVCAYEUQASFO-CKUXNOBLSA-N 1 2 377.532 4.250 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cccc(OCc3cccs3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000124424761 823595637 /nfs/dbraw/zinc/59/56/37/823595637.db2.gz AADWOOLNAKDTOX-UZLBHIALSA-N 1 2 381.501 4.247 20 0 GIADLO CC(=O)CCCCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000124440890 823597185 /nfs/dbraw/zinc/59/71/85/823597185.db2.gz XMEOUYGOQHNBDX-UYAOXDASSA-N 1 2 382.907 4.270 20 0 GIADLO CC(=O)CCCCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000124440890 823597187 /nfs/dbraw/zinc/59/71/87/823597187.db2.gz XMEOUYGOQHNBDX-UYAOXDASSA-N 1 2 382.907 4.270 20 0 GIADLO O=C(Nc1cc(F)c(F)cc1F)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000124466192 823599011 /nfs/dbraw/zinc/59/90/11/823599011.db2.gz BVDFIDYFPBJYJV-RBUKOAKNSA-N 1 2 386.377 4.351 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cccc(C)c3Cl)cc2)c1C ZINC000461221868 823600886 /nfs/dbraw/zinc/60/08/86/823600886.db2.gz XRUNSMGSMPQZAO-UHFFFAOYSA-N 1 2 375.881 4.252 20 0 GIADLO CC1CCN(c2cccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3cccnc3)c2)CC1 ZINC000124497910 823601506 /nfs/dbraw/zinc/60/15/06/823601506.db2.gz ZNTODMFIVLROQZ-HSZRJFAPSA-N 1 2 392.547 4.311 20 0 GIADLO CC1CCN(c2cccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3cccnc3)c2)CC1 ZINC000124497910 823601507 /nfs/dbraw/zinc/60/15/07/823601507.db2.gz ZNTODMFIVLROQZ-HSZRJFAPSA-N 1 2 392.547 4.311 20 0 GIADLO CS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000411757404 823602839 /nfs/dbraw/zinc/60/28/39/823602839.db2.gz MABVQZMEXHHOGY-JXFKEZNVSA-N 1 2 377.937 4.186 20 0 GIADLO CS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000411757404 823602840 /nfs/dbraw/zinc/60/28/40/823602840.db2.gz MABVQZMEXHHOGY-JXFKEZNVSA-N 1 2 377.937 4.186 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)C[C@H]1n1cc[nH+]c1 ZINC000124594484 823609458 /nfs/dbraw/zinc/60/94/58/823609458.db2.gz JVKYNFIBSWHNAC-HNAYVOBHSA-N 1 2 377.513 4.434 20 0 GIADLO Cn1c(=S)n(C[N@H+](C)CC2CCOCC2)nc1-c1ccc(C(C)(C)C)cc1 ZINC000124669358 823615772 /nfs/dbraw/zinc/61/57/72/823615772.db2.gz YKBZIQLDRBQKIN-UHFFFAOYSA-N 1 2 388.581 4.231 20 0 GIADLO Cn1c(=S)n(C[N@@H+](C)CC2CCOCC2)nc1-c1ccc(C(C)(C)C)cc1 ZINC000124669358 823615773 /nfs/dbraw/zinc/61/57/73/823615773.db2.gz YKBZIQLDRBQKIN-UHFFFAOYSA-N 1 2 388.581 4.231 20 0 GIADLO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1nnc(C(C)C)s1)C(C)C ZINC000411992829 823618913 /nfs/dbraw/zinc/61/89/13/823618913.db2.gz ZZMJUGQYSJMQRY-OAHLLOKOSA-N 1 2 395.594 4.034 20 0 GIADLO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1nnc(C(C)C)s1)C(C)C ZINC000411992829 823618915 /nfs/dbraw/zinc/61/89/15/823618915.db2.gz ZZMJUGQYSJMQRY-OAHLLOKOSA-N 1 2 395.594 4.034 20 0 GIADLO Cc1sc(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(C)c1C ZINC000411995102 823619186 /nfs/dbraw/zinc/61/91/86/823619186.db2.gz CABZWCBULONFOV-HXUWFJFHSA-N 1 2 384.545 4.466 20 0 GIADLO Cc1sc(NC(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(C)c1C ZINC000411995102 823619187 /nfs/dbraw/zinc/61/91/87/823619187.db2.gz CABZWCBULONFOV-HXUWFJFHSA-N 1 2 384.545 4.466 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411997296 823619688 /nfs/dbraw/zinc/61/96/88/823619688.db2.gz IEMNOWCBRWNYMD-NRFANRHFSA-N 1 2 384.907 4.441 20 0 GIADLO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411997296 823619690 /nfs/dbraw/zinc/61/96/90/823619690.db2.gz IEMNOWCBRWNYMD-NRFANRHFSA-N 1 2 384.907 4.441 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000411997346 823619692 /nfs/dbraw/zinc/61/96/92/823619692.db2.gz IGCQXGKCFDPIII-VGSWGCGISA-N 1 2 392.499 4.070 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000411997346 823619694 /nfs/dbraw/zinc/61/96/94/823619694.db2.gz IGCQXGKCFDPIII-VGSWGCGISA-N 1 2 392.499 4.070 20 0 GIADLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000412010752 823622262 /nfs/dbraw/zinc/62/22/62/823622262.db2.gz JEVULQJSXLGKDP-JOCHJYFZSA-N 1 2 399.556 4.013 20 0 GIADLO Cc1ccc(S(=O)(=O)CCC[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000412010752 823622263 /nfs/dbraw/zinc/62/22/63/823622263.db2.gz JEVULQJSXLGKDP-JOCHJYFZSA-N 1 2 399.556 4.013 20 0 GIADLO C[C@@H](c1cccc(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)c1)[NH+]1CCOCC1 ZINC000412018907 823623147 /nfs/dbraw/zinc/62/31/47/823623147.db2.gz GNVWSMKBTOCALC-SBUREZEXSA-N 1 2 394.515 4.308 20 0 GIADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)n1 ZINC000412071229 823625547 /nfs/dbraw/zinc/62/55/47/823625547.db2.gz PGVOJBMOLJOCFW-CABCVRRESA-N 1 2 383.558 4.218 20 0 GIADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)n1 ZINC000412071229 823625550 /nfs/dbraw/zinc/62/55/50/823625550.db2.gz PGVOJBMOLJOCFW-CABCVRRESA-N 1 2 383.558 4.218 20 0 GIADLO COc1ccc(C[NH2+][C@H](c2nc(-c3ccccc3)no2)C(C)C)c(OC)c1OC ZINC000062258016 823626745 /nfs/dbraw/zinc/62/67/45/823626745.db2.gz LBQSLCBDEVSPFU-SFHVURJKSA-N 1 2 397.475 4.249 20 0 GIADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000124944779 823639232 /nfs/dbraw/zinc/63/92/32/823639232.db2.gz HBLAZLHNXDRMBU-KBPBESRZSA-N 1 2 383.460 4.011 20 0 GIADLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000124944779 823639237 /nfs/dbraw/zinc/63/92/37/823639237.db2.gz HBLAZLHNXDRMBU-KBPBESRZSA-N 1 2 383.460 4.011 20 0 GIADLO O=C(c1cc(C2CCCCC2)[nH]n1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461450842 823640429 /nfs/dbraw/zinc/64/04/29/823640429.db2.gz RNBBSTCLTLDRCD-NHCUHLMSSA-N 1 2 392.547 4.052 20 0 GIADLO O=C(c1cc(C2CCCCC2)[nH]n1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461450842 823640430 /nfs/dbraw/zinc/64/04/30/823640430.db2.gz RNBBSTCLTLDRCD-NHCUHLMSSA-N 1 2 392.547 4.052 20 0 GIADLO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000191038827 823641087 /nfs/dbraw/zinc/64/10/87/823641087.db2.gz FAZQYKSJKAQXIY-RDJZCZTQSA-N 1 2 397.862 4.285 20 0 GIADLO Cc1cc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)nc(-c2ccc(Cl)cc2)n1 ZINC000191208576 823659263 /nfs/dbraw/zinc/65/92/63/823659263.db2.gz GAMVKVDRDCOUNH-IBGZPJMESA-N 1 2 399.951 4.129 20 0 GIADLO Cc1cc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)nc(-c2ccc(Cl)cc2)n1 ZINC000191208576 823659264 /nfs/dbraw/zinc/65/92/64/823659264.db2.gz GAMVKVDRDCOUNH-IBGZPJMESA-N 1 2 399.951 4.129 20 0 GIADLO Cc1noc([C@H]2CCC[N@H+](Cc3cc(Br)c(Cl)s3)C2)n1 ZINC000191248693 823663332 /nfs/dbraw/zinc/66/33/32/823663332.db2.gz PUESPAGWNXRDHT-VIFPVBQESA-N 1 2 376.707 4.235 20 0 GIADLO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)n1 ZINC000191248693 823663335 /nfs/dbraw/zinc/66/33/35/823663335.db2.gz PUESPAGWNXRDHT-VIFPVBQESA-N 1 2 376.707 4.235 20 0 GIADLO O=C(C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1)Nc1nccs1 ZINC000191250848 823663513 /nfs/dbraw/zinc/66/35/13/823663513.db2.gz ZPJFIDSAFRPJDP-UHFFFAOYSA-N 1 2 375.803 4.033 20 0 GIADLO Cc1cccc2c(CC(=O)Nc3ccccc3C[NH+]3C[C@@H](C)O[C@H](C)C3)c[nH]c21 ZINC000125281422 823664521 /nfs/dbraw/zinc/66/45/21/823664521.db2.gz SOAZXHLRNRGDET-QZTJIDSGSA-N 1 2 391.515 4.267 20 0 GIADLO CCS[C@H](C)c1noc(C[NH+]2CCC(Cc3ccc(OC)cc3)CC2)n1 ZINC000125321105 823667704 /nfs/dbraw/zinc/66/77/04/823667704.db2.gz RQJMDADMRBCVEL-OAHLLOKOSA-N 1 2 375.538 4.347 20 0 GIADLO Cc1ccc(Br)c(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000412641004 823669512 /nfs/dbraw/zinc/66/95/12/823669512.db2.gz MTGOHTXZUZAKFR-ZDUSSCGKSA-N 1 2 390.325 4.025 20 0 GIADLO Cc1ccc(Br)c(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000412641004 823669516 /nfs/dbraw/zinc/66/95/16/823669516.db2.gz MTGOHTXZUZAKFR-ZDUSSCGKSA-N 1 2 390.325 4.025 20 0 GIADLO Cc1cccc(OCc2nnc(SCc3ccc(-n4cc[nH+]c4)cc3)o2)c1 ZINC000191386098 823679136 /nfs/dbraw/zinc/67/91/36/823679136.db2.gz UBULXYDMMKYODL-UHFFFAOYSA-N 1 2 378.457 4.435 20 0 GIADLO CCN(CC)C(=O)[C@H]([NH2+]Cc1csc(Br)c1)c1ccccc1 ZINC000063605509 823682906 /nfs/dbraw/zinc/68/29/06/823682906.db2.gz CHFKPDJCKYOCIH-MRXNPFEDSA-N 1 2 381.339 4.210 20 0 GIADLO CCN(C)c1ccc(CNc2cccc(C[N@H+](C)Cc3cscn3)c2)cn1 ZINC000191429798 823684238 /nfs/dbraw/zinc/68/42/38/823684238.db2.gz QVEFWUXEPBBBOE-UHFFFAOYSA-N 1 2 381.549 4.238 20 0 GIADLO CCN(C)c1ccc(CNc2cccc(C[N@@H+](C)Cc3cscn3)c2)cn1 ZINC000191429798 823684239 /nfs/dbraw/zinc/68/42/39/823684239.db2.gz QVEFWUXEPBBBOE-UHFFFAOYSA-N 1 2 381.549 4.238 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCSc2ccc(F)cc2)n1 ZINC000191449441 823686373 /nfs/dbraw/zinc/68/63/73/823686373.db2.gz DXTWUKJLWJZAGD-MRXNPFEDSA-N 1 2 380.510 4.388 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCSc2ccc(F)cc2)n1 ZINC000191449441 823686375 /nfs/dbraw/zinc/68/63/75/823686375.db2.gz DXTWUKJLWJZAGD-MRXNPFEDSA-N 1 2 380.510 4.388 20 0 GIADLO COc1ccc([C@@H]([NH2+][C@H]2CCSc3ccc(OC)cc32)c2nccn2C)cc1 ZINC000191492416 823690775 /nfs/dbraw/zinc/69/07/75/823690775.db2.gz AVNAHYSXTDGASR-PZJWPPBQSA-N 1 2 395.528 4.353 20 0 GIADLO CCc1nnc(CN2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1 ZINC000125670628 823695341 /nfs/dbraw/zinc/69/53/41/823695341.db2.gz KXYOWIYEPBCNIC-QFIPXVFZSA-N 1 2 396.922 4.193 20 0 GIADLO C[C@@H]1CCN(C(=O)COC(c2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000125724391 823700696 /nfs/dbraw/zinc/70/06/96/823700696.db2.gz IEFFJWWEWBSONL-KNQAVFIVSA-N 1 2 389.499 4.099 20 0 GIADLO Cc1ccc(C)c(SCc2noc(-c3ccccc3C[NH+]3CCOCC3)n2)c1 ZINC000574315063 823701309 /nfs/dbraw/zinc/70/13/09/823701309.db2.gz GTBYEBBDDMULFO-UHFFFAOYSA-N 1 2 395.528 4.478 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)c1nc(C(C)(C)C)no1 ZINC000191571869 823702074 /nfs/dbraw/zinc/70/20/74/823702074.db2.gz XIJONOBYYDHOSE-NWDGAFQWSA-N 1 2 398.429 4.454 20 0 GIADLO NC(Cc1ccccc1)=[NH+]OCc1coc(-c2ccc(Br)cc2)n1 ZINC000063859906 823703318 /nfs/dbraw/zinc/70/33/18/823703318.db2.gz LHSPOHXQCHQGGL-UHFFFAOYSA-N 1 2 386.249 4.136 20 0 GIADLO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nc(C2CCCCC2)no1 ZINC000191579209 823703336 /nfs/dbraw/zinc/70/33/36/823703336.db2.gz KTMARJGFDKSTNP-GOEBONIOSA-N 1 2 378.517 4.167 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)c1nc(Cc2ccccc2)no1 ZINC000191595568 823706736 /nfs/dbraw/zinc/70/67/36/823706736.db2.gz QIVOLDNCGNXAQS-INIZCTEOSA-N 1 2 387.443 4.094 20 0 GIADLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000574362817 823708779 /nfs/dbraw/zinc/70/87/79/823708779.db2.gz RASWCFKMJAJHTO-AWEZNQCLSA-N 1 2 389.952 4.223 20 0 GIADLO C[C@H]1CCCCN1C(=O)C[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000574362817 823708782 /nfs/dbraw/zinc/70/87/82/823708782.db2.gz RASWCFKMJAJHTO-AWEZNQCLSA-N 1 2 389.952 4.223 20 0 GIADLO C[C@H]1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C[C@H]1n1cc[nH+]c1 ZINC000125795575 823712508 /nfs/dbraw/zinc/71/25/08/823712508.db2.gz VFBZEFPNQUUBCO-WCQYABFASA-N 1 2 392.937 4.445 20 0 GIADLO O=C(Nc1c(F)cc(F)cc1F)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000125819254 823718708 /nfs/dbraw/zinc/71/87/08/823718708.db2.gz OPGUTAJKORBNST-ROUUACIJSA-N 1 2 386.377 4.351 20 0 GIADLO COc1ccccc1-c1ccc([C@@H](C)Nc2cc(NC[C@H](C)O)[nH+]cn2)cc1 ZINC000413174146 823721011 /nfs/dbraw/zinc/72/10/11/823721011.db2.gz PUSSPXQNWFISKE-JKSUJKDBSA-N 1 2 378.476 4.118 20 0 GIADLO COc1ccccc1-c1ccc([C@@H](C)Nc2cc(NC[C@H](C)O)nc[nH+]2)cc1 ZINC000413174146 823721019 /nfs/dbraw/zinc/72/10/19/823721019.db2.gz PUSSPXQNWFISKE-JKSUJKDBSA-N 1 2 378.476 4.118 20 0 GIADLO Clc1sc(CNc2ccc(N3CCOCC3)[nH+]c2)cc1Br ZINC000191692836 823736700 /nfs/dbraw/zinc/73/67/00/823736700.db2.gz HZMAEDMHCCLDNF-UHFFFAOYSA-N 1 2 388.718 4.008 20 0 GIADLO Cc1cc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)ccc1-c1ccccc1 ZINC000413253524 823739338 /nfs/dbraw/zinc/73/93/38/823739338.db2.gz VDIUGYSQDVFBSQ-GHTZIAJQSA-N 1 2 388.515 4.271 20 0 GIADLO Cc1cc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)ccc1-c1ccccc1 ZINC000413253524 823739342 /nfs/dbraw/zinc/73/93/42/823739342.db2.gz VDIUGYSQDVFBSQ-GHTZIAJQSA-N 1 2 388.515 4.271 20 0 GIADLO CC(C)(C[C@@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1)C(N)=O ZINC000413311878 823749917 /nfs/dbraw/zinc/74/99/17/823749917.db2.gz JGFPZDMGPIRMCE-ZDUSSCGKSA-N 1 2 390.325 4.115 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N[C@@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000413325432 823753113 /nfs/dbraw/zinc/75/31/13/823753113.db2.gz VQFAQRARYZPYEM-AEFFLSMTSA-N 1 2 384.277 4.146 20 0 GIADLO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000064140839 823753894 /nfs/dbraw/zinc/75/38/94/823753894.db2.gz LAXPWLHULHGXMY-CYBMUJFWSA-N 1 2 396.384 4.085 20 0 GIADLO CCc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(OC(F)F)cc3)CC2)cc1 ZINC000064140833 823753918 /nfs/dbraw/zinc/75/39/18/823753918.db2.gz IOMNRFXEZOQNHD-MRXNPFEDSA-N 1 2 388.458 4.369 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000191777957 823765336 /nfs/dbraw/zinc/76/53/36/823765336.db2.gz PZSFLRXEOKWTAU-UHFFFAOYSA-N 1 2 393.329 4.461 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(Br)cc2F)c(OC)c1 ZINC000126060975 823777990 /nfs/dbraw/zinc/77/79/90/823777990.db2.gz SIMOCWRWPCGACL-LLVKDONJSA-N 1 2 398.272 4.465 20 0 GIADLO C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000164109084 823778617 /nfs/dbraw/zinc/77/86/17/823778617.db2.gz HGJLDXPXTBSNMZ-LSDHHAIUSA-N 1 2 394.441 4.441 20 0 GIADLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000164109191 823778636 /nfs/dbraw/zinc/77/86/36/823778636.db2.gz HGJLDXPXTBSNMZ-CABCVRRESA-N 1 2 394.441 4.441 20 0 GIADLO CC(C)(COCc1ccccc1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000574607708 823779485 /nfs/dbraw/zinc/77/94/85/823779485.db2.gz FKKKQMAKSIXIQW-UHFFFAOYSA-N 1 2 397.906 4.385 20 0 GIADLO Cc1ccc2c(CC(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)coc2c1 ZINC000126079491 823781860 /nfs/dbraw/zinc/78/18/60/823781860.db2.gz UEEULODABVQAAU-UHFFFAOYSA-N 1 2 378.472 4.063 20 0 GIADLO O=C(c1ccccc1F)N1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000126095230 823785967 /nfs/dbraw/zinc/78/59/67/823785967.db2.gz ZOTCDVZOAWZXJK-UHFFFAOYSA-N 1 2 380.385 4.193 20 0 GIADLO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000126095230 823785972 /nfs/dbraw/zinc/78/59/72/823785972.db2.gz ZOTCDVZOAWZXJK-UHFFFAOYSA-N 1 2 380.385 4.193 20 0 GIADLO COCCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[C@@H]1C ZINC000574642199 823788244 /nfs/dbraw/zinc/78/82/44/823788244.db2.gz JOBQHDXESXKROM-LAUBAEHRSA-N 1 2 394.519 4.271 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000126103842 823788565 /nfs/dbraw/zinc/78/85/65/823788565.db2.gz JZZVKBMUFLMUMI-UHFFFAOYSA-N 1 2 386.923 4.397 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1nnc(C(CC)CC)s1 ZINC000191832402 823789675 /nfs/dbraw/zinc/78/96/75/823789675.db2.gz KOMOWTKDSJLTJC-UHFFFAOYSA-N 1 2 378.546 4.145 20 0 GIADLO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)CCCO2 ZINC000164248507 823789844 /nfs/dbraw/zinc/78/98/44/823789844.db2.gz JUMKNWIPBSPBPX-NRFANRHFSA-N 1 2 377.488 4.138 20 0 GIADLO CC[C@H](Cc1ccccc1)N(CC)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000462003145 823791360 /nfs/dbraw/zinc/79/13/60/823791360.db2.gz JHMPHKSNWNKRSL-HSZRJFAPSA-N 1 2 390.531 4.484 20 0 GIADLO C[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000462007631 823792469 /nfs/dbraw/zinc/79/24/69/823792469.db2.gz HGDVAVJYRDYIDT-OXJNMPFZSA-N 1 2 377.513 4.262 20 0 GIADLO C[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000462007631 823792486 /nfs/dbraw/zinc/79/24/86/823792486.db2.gz HGDVAVJYRDYIDT-OXJNMPFZSA-N 1 2 377.513 4.262 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(Br)ccc1C ZINC000191851431 823796101 /nfs/dbraw/zinc/79/61/01/823796101.db2.gz ZOSZKKFLXJITEU-UHFFFAOYSA-N 1 2 393.329 4.461 20 0 GIADLO COc1ccc(-c2[nH]ncc2C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000462025021 823799769 /nfs/dbraw/zinc/79/97/69/823799769.db2.gz DHODFNRGWZSZPM-UHFFFAOYSA-N 1 2 390.487 4.324 20 0 GIADLO Cc1sc2[nH]c(C[N@H+](C)C[C@@H]3CCCCO3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000126147672 823799836 /nfs/dbraw/zinc/79/98/36/823799836.db2.gz IDJCFSDJFQIHON-KRWDZBQOSA-N 1 2 397.544 4.269 20 0 GIADLO Cc1sc2[nH]c(C[N@@H+](C)C[C@@H]3CCCCO3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000126147672 823799840 /nfs/dbraw/zinc/79/98/40/823799840.db2.gz IDJCFSDJFQIHON-KRWDZBQOSA-N 1 2 397.544 4.269 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000462026380 823800153 /nfs/dbraw/zinc/80/01/53/823800153.db2.gz UBHXITGEQIJGGH-GFCCVEGCSA-N 1 2 399.438 4.116 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(F)cc2Br)c(OC)c1 ZINC000164406116 823801156 /nfs/dbraw/zinc/80/11/56/823801156.db2.gz HOWAYAZZVIGIKS-NSHDSACASA-N 1 2 398.272 4.465 20 0 GIADLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000574694354 823802786 /nfs/dbraw/zinc/80/27/86/823802786.db2.gz ROSCCBBGISHJQD-OAHLLOKOSA-N 1 2 376.287 4.068 20 0 GIADLO Cc1ccc(C[C@@H](C)NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1 ZINC000574709015 823805348 /nfs/dbraw/zinc/80/53/48/823805348.db2.gz BBTVOZUOUFBGDA-LJQANCHMSA-N 1 2 394.563 4.356 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462044956 823810310 /nfs/dbraw/zinc/81/03/10/823810310.db2.gz LYPINEWOTIUIAI-KRWDZBQOSA-N 1 2 381.307 4.373 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000126197395 823810348 /nfs/dbraw/zinc/81/03/48/823810348.db2.gz TYNQGUDCTNXAPE-UHFFFAOYSA-N 1 2 392.421 4.027 20 0 GIADLO CCCOc1cc(F)ccc1NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000191915861 823810438 /nfs/dbraw/zinc/81/04/38/823810438.db2.gz QQEQADBUTQJFCZ-UHFFFAOYSA-N 1 2 376.476 4.318 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000126201515 823811082 /nfs/dbraw/zinc/81/10/82/823811082.db2.gz ITVASUICHIZDKD-UHFFFAOYSA-N 1 2 382.504 4.114 20 0 GIADLO Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126203718 823811719 /nfs/dbraw/zinc/81/17/19/823811719.db2.gz KYCJYZYXSFNZNZ-UHFFFAOYSA-N 1 2 391.471 4.043 20 0 GIADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000164603078 823811810 /nfs/dbraw/zinc/81/18/10/823811810.db2.gz KDTNKMUMBXYRPW-UTKZUKDTSA-N 1 2 382.552 4.351 20 0 GIADLO CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000064440773 823819528 /nfs/dbraw/zinc/81/95/28/823819528.db2.gz CHLIUWRJHOASNO-QGZVFWFLSA-N 1 2 386.496 4.075 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cs1)c1cccc(C)c1C ZINC000164813537 823821094 /nfs/dbraw/zinc/82/10/94/823821094.db2.gz REGXVPMWGNBJHP-SFHVURJKSA-N 1 2 399.560 4.445 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cs1)c1cccc(C)c1C ZINC000164813537 823821102 /nfs/dbraw/zinc/82/11/02/823821102.db2.gz REGXVPMWGNBJHP-SFHVURJKSA-N 1 2 399.560 4.445 20 0 GIADLO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2nc3ccccc3s2)CC1 ZINC000064481211 823828031 /nfs/dbraw/zinc/82/80/31/823828031.db2.gz HPCUSFBDZTZVRT-UHFFFAOYSA-N 1 2 385.920 4.298 20 0 GIADLO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2nc3ccccc3s2)CC1 ZINC000064481211 823828038 /nfs/dbraw/zinc/82/80/38/823828038.db2.gz HPCUSFBDZTZVRT-UHFFFAOYSA-N 1 2 385.920 4.298 20 0 GIADLO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000574797697 823829489 /nfs/dbraw/zinc/82/94/89/823829489.db2.gz IBNKYGQWHULGQG-HUUCEWRRSA-N 1 2 394.462 4.422 20 0 GIADLO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000574797697 823829495 /nfs/dbraw/zinc/82/94/95/823829495.db2.gz IBNKYGQWHULGQG-HUUCEWRRSA-N 1 2 394.462 4.422 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cs1)c1ccc(C)cc1C ZINC000574807885 823832988 /nfs/dbraw/zinc/83/29/88/823832988.db2.gz GHKABYONNICTQX-XLIONFOSSA-N 1 2 385.533 4.055 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cs1)c1ccc(C)cc1C ZINC000574807885 823832991 /nfs/dbraw/zinc/83/29/91/823832991.db2.gz GHKABYONNICTQX-XLIONFOSSA-N 1 2 385.533 4.055 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000165226849 823840481 /nfs/dbraw/zinc/84/04/81/823840481.db2.gz PHUYDLLYWDGSLN-YWZLYKJASA-N 1 2 392.927 4.370 20 0 GIADLO CCCC[N@@H+]1Cc2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2C1 ZINC000574851129 823843027 /nfs/dbraw/zinc/84/30/27/823843027.db2.gz WTPNBZPIILQMMP-UHFFFAOYSA-N 1 2 381.501 4.151 20 0 GIADLO CCCC[N@H+]1Cc2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2C1 ZINC000574851129 823843032 /nfs/dbraw/zinc/84/30/32/823843032.db2.gz WTPNBZPIILQMMP-UHFFFAOYSA-N 1 2 381.501 4.151 20 0 GIADLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)n(C(C)(C)C)n1 ZINC000064632302 823855119 /nfs/dbraw/zinc/85/51/19/823855119.db2.gz DRKPFTJCAOKIIS-UHFFFAOYSA-N 1 2 398.551 4.045 20 0 GIADLO COc1cc(C2(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)CCCC2)ccc1C ZINC000126410617 823859943 /nfs/dbraw/zinc/85/99/43/823859943.db2.gz AXGTYTGNLRLTBC-PXNSSMCTSA-N 1 2 381.520 4.122 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)cs1 ZINC000165719914 823860512 /nfs/dbraw/zinc/86/05/12/823860512.db2.gz SBVXAQRHIBVBFD-DNVCBOLYSA-N 1 2 387.549 4.125 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCCC[C@@H]2[C@@H](C)O)cs1 ZINC000165719914 823860518 /nfs/dbraw/zinc/86/05/18/823860518.db2.gz SBVXAQRHIBVBFD-DNVCBOLYSA-N 1 2 387.549 4.125 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)C[C@@H]2CCCOC2)cs1)c1cccc(C)c1C ZINC000165744875 823861948 /nfs/dbraw/zinc/86/19/48/823861948.db2.gz JEIFXFYRURJAJF-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)C[C@@H]2CCCOC2)cs1)c1cccc(C)c1C ZINC000165744875 823861957 /nfs/dbraw/zinc/86/19/57/823861957.db2.gz JEIFXFYRURJAJF-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO FC(F)(F)c1cc(Br)ccc1[C@@H]([NH2+]Cc1ncccn1)C1CC1 ZINC000574928390 823861913 /nfs/dbraw/zinc/86/19/13/823861913.db2.gz UMLWDTWCCKPEMF-HNNXBMFYSA-N 1 2 386.215 4.499 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cccc(OCc2ccccn2)c1 ZINC000574930209 823862566 /nfs/dbraw/zinc/86/25/66/823862566.db2.gz NHAVELGKQVMRHH-UHFFFAOYSA-N 1 2 398.466 4.087 20 0 GIADLO Cn1ncc2c1nc[nH+]c2N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000165777878 823862801 /nfs/dbraw/zinc/86/28/01/823862801.db2.gz GPUHDUANJNCCFF-UHFFFAOYSA-N 1 2 399.285 4.272 20 0 GIADLO CC[NH+](CC)[C@H](c1nc(Cc2ccon2)no1)c1cccc(C(F)(F)F)c1 ZINC000574942691 823866233 /nfs/dbraw/zinc/86/62/33/823866233.db2.gz GROYPGHMLPJTIL-INIZCTEOSA-N 1 2 380.370 4.098 20 0 GIADLO C[C@@H]1C[C@]2(CCO1)C[N@@H+]([C@H](C(=O)Nc1ccccc1)c1ccccc1)C[C@@H](C)O2 ZINC000574953434 823870049 /nfs/dbraw/zinc/87/00/49/823870049.db2.gz QYPLMHBSSDHAHL-WDOIYZOTSA-N 1 2 394.515 4.025 20 0 GIADLO C[C@@H]1C[C@]2(CCO1)C[N@H+]([C@H](C(=O)Nc1ccccc1)c1ccccc1)C[C@@H](C)O2 ZINC000574953434 823870053 /nfs/dbraw/zinc/87/00/53/823870053.db2.gz QYPLMHBSSDHAHL-WDOIYZOTSA-N 1 2 394.515 4.025 20 0 GIADLO O=C(c1ccncc1C(F)(F)F)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000192142907 823877789 /nfs/dbraw/zinc/87/77/89/823877789.db2.gz PJGSMZDDHUHBSX-UHFFFAOYSA-N 1 2 397.828 4.102 20 0 GIADLO O=C(c1ccncc1C(F)(F)F)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000192142907 823877798 /nfs/dbraw/zinc/87/77/98/823877798.db2.gz PJGSMZDDHUHBSX-UHFFFAOYSA-N 1 2 397.828 4.102 20 0 GIADLO CN1C(=O)C[C@@H]([NH2+]Cc2ncc(-c3cccs3)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000192153945 823883022 /nfs/dbraw/zinc/88/30/22/823883022.db2.gz KNXVJJGHFZCKBK-KUHUBIRLSA-N 1 2 387.892 4.118 20 0 GIADLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1F ZINC000462230185 823884320 /nfs/dbraw/zinc/88/43/20/823884320.db2.gz ZFNKAJCGCJGTCE-HZPDHXFCSA-N 1 2 375.513 4.345 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCS[C@H](C)CC2)cs1)c1ccc(C)cc1 ZINC000192179930 823893782 /nfs/dbraw/zinc/89/37/82/823893782.db2.gz QZFGXJPLFKYVJB-OAHLLOKOSA-N 1 2 375.563 4.464 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCS[C@H](C)CC2)cs1)c1ccc(C)cc1 ZINC000192179930 823893788 /nfs/dbraw/zinc/89/37/88/823893788.db2.gz QZFGXJPLFKYVJB-OAHLLOKOSA-N 1 2 375.563 4.464 20 0 GIADLO CCC1(CC)Oc2ccc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)cc2O1 ZINC000575033872 823894799 /nfs/dbraw/zinc/89/47/99/823894799.db2.gz KDGBEPMFCKNNEQ-UHFFFAOYSA-N 1 2 391.471 4.400 20 0 GIADLO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCS[C@@H](C)CC2)cs1 ZINC000192185374 823895877 /nfs/dbraw/zinc/89/58/77/823895877.db2.gz PPWVVCNROVPCNU-AWEZNQCLSA-N 1 2 391.562 4.164 20 0 GIADLO COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCS[C@@H](C)CC2)cs1 ZINC000192185374 823895885 /nfs/dbraw/zinc/89/58/85/823895885.db2.gz PPWVVCNROVPCNU-AWEZNQCLSA-N 1 2 391.562 4.164 20 0 GIADLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1OCC ZINC000414056859 823896751 /nfs/dbraw/zinc/89/67/51/823896751.db2.gz DYMGZHOQOBQYPE-STQMWFEESA-N 1 2 378.494 4.139 20 0 GIADLO Cc1ccnc2c1cccc2S(=O)(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000575042596 823898284 /nfs/dbraw/zinc/89/82/84/823898284.db2.gz WHMJUGUFLTWYHN-UHFFFAOYSA-N 1 2 389.908 4.059 20 0 GIADLO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1OC ZINC000414064879 823899185 /nfs/dbraw/zinc/89/91/85/823899185.db2.gz GJTNYGZWHNMXLB-OLZOCXBDSA-N 1 2 378.494 4.139 20 0 GIADLO C[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1cc2n(n1)CCC2 ZINC000414066873 823899751 /nfs/dbraw/zinc/89/97/51/823899751.db2.gz AAZZQWYOXQKBNS-SNVBAGLBSA-N 1 2 386.240 4.044 20 0 GIADLO C[C@@H](CC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(F)c(Br)c1 ZINC000462254237 823900434 /nfs/dbraw/zinc/90/04/34/823900434.db2.gz PAEJTBIERXODDK-LBPRGKRZSA-N 1 2 390.256 4.046 20 0 GIADLO C[C@H](CC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(F)c(Br)c1 ZINC000462254236 823900446 /nfs/dbraw/zinc/90/04/46/823900446.db2.gz PAEJTBIERXODDK-GFCCVEGCSA-N 1 2 390.256 4.046 20 0 GIADLO COCC[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)c1cccc(C(F)(F)F)c1 ZINC000575071431 823904358 /nfs/dbraw/zinc/90/43/58/823904358.db2.gz XXJAYSNQYIISTC-KRWDZBQOSA-N 1 2 391.393 4.169 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2nc(C(C)(C)C)cs2)CC1 ZINC000462263787 823905073 /nfs/dbraw/zinc/90/50/73/823905073.db2.gz PXGMVMLOUHYUQF-CYBMUJFWSA-N 1 2 378.567 4.413 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]C2(c3cccc(Br)c3)CCC2)s1 ZINC000414097007 823908805 /nfs/dbraw/zinc/90/88/05/823908805.db2.gz MRGSMQCLHNPYJK-NSHDSACASA-N 1 2 395.322 4.422 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000192246648 823915452 /nfs/dbraw/zinc/91/54/52/823915452.db2.gz ANMNRHSVANKZGM-UHFFFAOYSA-N 1 2 378.476 4.185 20 0 GIADLO CCOc1ccc(F)c(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1F ZINC000462298105 823915893 /nfs/dbraw/zinc/91/58/93/823915893.db2.gz ZDDLZLDIYGSUDB-CYBMUJFWSA-N 1 2 395.475 4.336 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1nn(-c2ccccc2Cl)cc1C ZINC000192247835 823915894 /nfs/dbraw/zinc/91/58/94/823915894.db2.gz CRGMQUWVMACCCI-UHFFFAOYSA-N 1 2 399.926 4.145 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Br)ccc1Cl ZINC000192257723 823919287 /nfs/dbraw/zinc/91/92/87/823919287.db2.gz FBGMWVBKJGYSMT-UHFFFAOYSA-N 1 2 398.732 4.414 20 0 GIADLO O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@H]1CCn2c[nH+]cc2C1 ZINC000126652205 823919882 /nfs/dbraw/zinc/91/98/82/823919882.db2.gz LSNVZIGVXQGTSN-AWEZNQCLSA-N 1 2 390.468 4.486 20 0 GIADLO C[C@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1cc2ccccc2o1 ZINC000575139421 823921135 /nfs/dbraw/zinc/92/11/35/823921135.db2.gz SGISODMBYWMSFC-FUHWJXTLSA-N 1 2 377.488 4.475 20 0 GIADLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651070 823927116 /nfs/dbraw/zinc/92/71/16/823927116.db2.gz FRTDRCNAWPNVFI-ZDUSSCGKSA-N 1 2 377.410 4.007 20 0 GIADLO CCCCCCOc1ccc(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000065041599 823929232 /nfs/dbraw/zinc/92/92/32/823929232.db2.gz CMMUIVRMYKUNJY-UHFFFAOYSA-N 1 2 387.549 4.271 20 0 GIADLO CCCCCCOc1ccc(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000065041599 823929239 /nfs/dbraw/zinc/92/92/39/823929239.db2.gz CMMUIVRMYKUNJY-UHFFFAOYSA-N 1 2 387.549 4.271 20 0 GIADLO Cc1ccc([C@H]2CCC[N@H+]2Cn2nc(-c3cccnc3)n(C)c2=S)cc1C ZINC000126815034 823958234 /nfs/dbraw/zinc/95/82/34/823958234.db2.gz YUKXLQXBVXFKAC-LJQANCHMSA-N 1 2 379.533 4.425 20 0 GIADLO Cc1ccc([C@H]2CCC[N@@H+]2Cn2nc(-c3cccnc3)n(C)c2=S)cc1C ZINC000126815034 823958239 /nfs/dbraw/zinc/95/82/39/823958239.db2.gz YUKXLQXBVXFKAC-LJQANCHMSA-N 1 2 379.533 4.425 20 0 GIADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1c(Br)cncc1Br ZINC000414361778 823965549 /nfs/dbraw/zinc/96/55/49/823965549.db2.gz CUECVYKCMFZPFH-SNVBAGLBSA-N 1 2 399.130 4.415 20 0 GIADLO C[C@@H](CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1)n1cc[nH+]c1 ZINC000575410494 823967642 /nfs/dbraw/zinc/96/76/42/823967642.db2.gz VIDOEZKSVACZFK-GJZGRUSLSA-N 1 2 388.899 4.141 20 0 GIADLO Cc1occc1C(=O)NC1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000170777665 823968443 /nfs/dbraw/zinc/96/84/43/823968443.db2.gz SXXWQKUPZQADAI-UHFFFAOYSA-N 1 2 398.837 4.237 20 0 GIADLO CS(=O)(=O)c1ccc(C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)s1 ZINC000414380386 823969786 /nfs/dbraw/zinc/96/97/86/823969786.db2.gz IYABVZIXIXRKTO-UHFFFAOYSA-N 1 2 391.558 4.031 20 0 GIADLO CS(=O)(=O)c1ccc(C[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)s1 ZINC000414380386 823969789 /nfs/dbraw/zinc/96/97/89/823969789.db2.gz IYABVZIXIXRKTO-UHFFFAOYSA-N 1 2 391.558 4.031 20 0 GIADLO O=C(Nc1cccc(C[N@@H+]2CCO[C@@H](CF)C2)c1)c1ccc(Cl)cc1Cl ZINC000414469892 823990810 /nfs/dbraw/zinc/99/08/10/823990810.db2.gz KGNMBYCJIKADHK-INIZCTEOSA-N 1 2 397.277 4.416 20 0 GIADLO O=C(Nc1cccc(C[N@H+]2CCO[C@@H](CF)C2)c1)c1ccc(Cl)cc1Cl ZINC000414469892 823990813 /nfs/dbraw/zinc/99/08/13/823990813.db2.gz KGNMBYCJIKADHK-INIZCTEOSA-N 1 2 397.277 4.416 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192460751 823998706 /nfs/dbraw/zinc/99/87/06/823998706.db2.gz GPBAJAPOEGNTMX-MRXNPFEDSA-N 1 2 398.478 4.065 20 0 GIADLO C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000170883303 823999759 /nfs/dbraw/zinc/99/97/59/823999759.db2.gz PFQFEHYMKGOCQZ-NSHDSACASA-N 1 2 385.270 4.437 20 0 GIADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000192467999 824002580 /nfs/dbraw/zinc/00/25/80/824002580.db2.gz WWWWGHVMKTYRNG-QGZVFWFLSA-N 1 2 382.479 4.364 20 0 GIADLO CCOc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000170902464 824003160 /nfs/dbraw/zinc/00/31/60/824003160.db2.gz GJNOHHVLIZMQSA-KRWDZBQOSA-N 1 2 383.492 4.005 20 0 GIADLO Cc1cc(C)c(NC(=O)c2ccn(-c3cccc(Br)c3)n2)c(C)[nH+]1 ZINC000170943243 824009828 /nfs/dbraw/zinc/00/98/28/824009828.db2.gz XAIBCCDIASSLTQ-UHFFFAOYSA-N 1 2 385.265 4.207 20 0 GIADLO COc1cc(C)ccc1OCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000192491989 824009852 /nfs/dbraw/zinc/00/98/52/824009852.db2.gz FFCXHRQMFHLSCO-UHFFFAOYSA-N 1 2 391.471 4.221 20 0 GIADLO FC(F)(F)c1cc(Br)cc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000414554182 824010798 /nfs/dbraw/zinc/01/07/98/824010798.db2.gz JYUHPUAPCURIOY-UHFFFAOYSA-N 1 2 392.244 4.487 20 0 GIADLO COc1cc(C[NH2+]Cc2nnc(C3CC3)s2)ccc1OCc1ccc(F)cc1 ZINC000414560995 824012952 /nfs/dbraw/zinc/01/29/52/824012952.db2.gz YCLSYMGENPIWAE-UHFFFAOYSA-N 1 2 399.491 4.432 20 0 GIADLO Cc1nc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)oc1-c1ccccc1 ZINC000170947596 824012951 /nfs/dbraw/zinc/01/29/51/824012951.db2.gz WPGWEQOBGVQZMT-UHFFFAOYSA-N 1 2 386.455 4.085 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000192529961 824021220 /nfs/dbraw/zinc/02/12/20/824021220.db2.gz GGYZWZCVDDTFDH-OALUTQOASA-N 1 2 399.416 4.370 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1(c3c(F)cccc3F)CCC1)C2 ZINC000575892744 824022271 /nfs/dbraw/zinc/02/22/71/824022271.db2.gz XJXHRHIBBKFCFM-CQSZACIVSA-N 1 2 387.474 4.154 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1(c3c(F)cccc3F)CCC1)CC2 ZINC000575892744 824022278 /nfs/dbraw/zinc/02/22/78/824022278.db2.gz XJXHRHIBBKFCFM-CQSZACIVSA-N 1 2 387.474 4.154 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000575905963 824025317 /nfs/dbraw/zinc/02/53/17/824025317.db2.gz KDBITCOUMIOMFJ-IIBYNOLFSA-N 1 2 378.451 4.304 20 0 GIADLO C[C@H](CC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C)n1cc[nH+]c1 ZINC000575926023 824030623 /nfs/dbraw/zinc/03/06/23/824030623.db2.gz IYYBJBGQUMUNLZ-SJKOYZFVSA-N 1 2 376.298 4.037 20 0 GIADLO Nc1cccc(C2CCN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CC2)c1 ZINC000414749602 824032637 /nfs/dbraw/zinc/03/26/37/824032637.db2.gz KPZVWVQGMNFEEY-UHFFFAOYSA-N 1 2 399.564 4.123 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCc4cc(N)ccc43)n2)C1 ZINC000414748564 824032719 /nfs/dbraw/zinc/03/27/19/824032719.db2.gz IRZZABODXHPUIU-AUUYWEPGSA-N 1 2 399.564 4.156 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCc4cc(N)ccc43)n2)C1 ZINC000414748564 824032724 /nfs/dbraw/zinc/03/27/24/824032724.db2.gz IRZZABODXHPUIU-AUUYWEPGSA-N 1 2 399.564 4.156 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)C1 ZINC000192580159 824036997 /nfs/dbraw/zinc/03/69/97/824036997.db2.gz RULBJUYFMLFWFN-SECBINFHSA-N 1 2 387.402 4.184 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)C1 ZINC000192580159 824037002 /nfs/dbraw/zinc/03/70/02/824037002.db2.gz RULBJUYFMLFWFN-SECBINFHSA-N 1 2 387.402 4.184 20 0 GIADLO CC(C)=CCOc1cccc(CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000414925993 824050898 /nfs/dbraw/zinc/05/08/98/824050898.db2.gz ITFURGAHZZVRHV-UHFFFAOYSA-N 1 2 389.499 4.135 20 0 GIADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000359882902 212121311 /nfs/dbraw/zinc/12/13/11/212121311.db2.gz WGUFFUGKMVEGHQ-DGCLKSJQSA-N 1 2 389.253 4.070 20 0 GIADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000359882902 212121314 /nfs/dbraw/zinc/12/13/14/212121314.db2.gz WGUFFUGKMVEGHQ-DGCLKSJQSA-N 1 2 389.253 4.070 20 0 GIADLO Cc1cccc2cc(Cl)nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c12 ZINC001165011813 721719553 /nfs/dbraw/zinc/71/95/53/721719553.db2.gz VORFHNJWAAWUKY-UHFFFAOYSA-N 1 2 398.942 4.039 20 0 GIADLO Cc1cccc2cc(Cl)nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c12 ZINC001165011813 721719556 /nfs/dbraw/zinc/71/95/56/721719556.db2.gz VORFHNJWAAWUKY-UHFFFAOYSA-N 1 2 398.942 4.039 20 0 GIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)cc3cc(C)ccc32)CC1 ZINC001164917863 721817549 /nfs/dbraw/zinc/81/75/49/721817549.db2.gz JZUPWHNPZXZIRL-UHFFFAOYSA-N 1 2 395.938 4.143 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cs1)c1ccc(C)c(C)c1 ZINC000120743962 823055811 /nfs/dbraw/zinc/05/58/11/823055811.db2.gz BCBIWUNNNSXTLG-SJLPKXTDSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cs1)c1ccc(C)c(C)c1 ZINC000120743962 823055818 /nfs/dbraw/zinc/05/58/18/823055818.db2.gz BCBIWUNNNSXTLG-SJLPKXTDSA-N 1 2 387.549 4.037 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc4scnc4c3)CC2)cc1 ZINC000175880086 823062578 /nfs/dbraw/zinc/06/25/78/823062578.db2.gz JOXYKCHBADKEQP-UHFFFAOYSA-N 1 2 395.532 4.153 20 0 GIADLO Cc1c(COc2ccccc2)cccc1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000120789741 823064586 /nfs/dbraw/zinc/06/45/86/823064586.db2.gz GOAHNMNLXADVIJ-FQEVSTJZSA-N 1 2 390.487 4.467 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000175902602 823067927 /nfs/dbraw/zinc/06/79/27/823067927.db2.gz PHUYBMJNHSMFAT-UHFFFAOYSA-N 1 2 394.519 4.177 20 0 GIADLO CCCCC[C@](C)(CC)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000187469303 823069126 /nfs/dbraw/zinc/06/91/26/823069126.db2.gz VLRKDMYJVHKKIY-QHCPKHFHSA-N 1 2 387.568 4.202 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000120854117 823077010 /nfs/dbraw/zinc/07/70/10/823077010.db2.gz KNZGKASJIUTURD-MRXNPFEDSA-N 1 2 391.968 4.427 20 0 GIADLO COCCc1ccc(Oc2ccc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)cc2)cc1 ZINC000570725052 823076358 /nfs/dbraw/zinc/07/63/58/823076358.db2.gz MCXQXVHQCSTZFN-SFHVURJKSA-N 1 2 391.471 4.065 20 0 GIADLO COCCOc1ccccc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000055996938 823076374 /nfs/dbraw/zinc/07/63/74/823076374.db2.gz BGQJRSIDXJZDPZ-UHFFFAOYSA-N 1 2 391.471 4.164 20 0 GIADLO CCOC(=O)C1CC[NH+]([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000120880679 823081399 /nfs/dbraw/zinc/08/13/99/823081399.db2.gz XEWGUBINTPIPGG-NSHDSACASA-N 1 2 398.290 4.380 20 0 GIADLO Brc1cncc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000175956207 823081769 /nfs/dbraw/zinc/08/17/69/823081769.db2.gz PXSKZXNPCPSMSI-IBGZPJMESA-N 1 2 375.310 4.068 20 0 GIADLO Brc1cncc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000175956207 823081774 /nfs/dbraw/zinc/08/17/74/823081774.db2.gz PXSKZXNPCPSMSI-IBGZPJMESA-N 1 2 375.310 4.068 20 0 GIADLO CC(=O)Nc1cccc(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000056153749 823090624 /nfs/dbraw/zinc/09/06/24/823090624.db2.gz JEHHHCDZBZUHPI-QFIPXVFZSA-N 1 2 391.446 4.254 20 0 GIADLO CCC[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1F ZINC000120963472 823094059 /nfs/dbraw/zinc/09/40/59/823094059.db2.gz NOMOMXMYFDGUKD-BEFAXECRSA-N 1 2 390.478 4.204 20 0 GIADLO CC(C)N(Cc1cccnc1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458875990 823100498 /nfs/dbraw/zinc/10/04/98/823100498.db2.gz FSFHVZYAWJZTGX-UHFFFAOYSA-N 1 2 383.883 4.041 20 0 GIADLO Cc1cc(C)c(NC(=O)c2cccc(C)c2I)c(C)[nH+]1 ZINC000121030571 823105957 /nfs/dbraw/zinc/10/59/57/823105957.db2.gz VOJCDFALSHRXNZ-UHFFFAOYSA-N 1 2 380.229 4.172 20 0 GIADLO C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1Cl ZINC000121031893 823106019 /nfs/dbraw/zinc/10/60/19/823106019.db2.gz XXNVOTCVKLAFOA-CHWSQXEVSA-N 1 2 379.291 4.028 20 0 GIADLO C[N@H+](C[C@H]1CCOC1)Cn1nc(-c2ccco2)n(C2CCCCC2)c1=S ZINC000176097501 823119252 /nfs/dbraw/zinc/11/92/52/823119252.db2.gz ZLGYNXLSEOFWPV-OAHLLOKOSA-N 1 2 376.526 4.105 20 0 GIADLO C[N@@H+](C[C@H]1CCOC1)Cn1nc(-c2ccco2)n(C2CCCCC2)c1=S ZINC000176097501 823119253 /nfs/dbraw/zinc/11/92/53/823119253.db2.gz ZLGYNXLSEOFWPV-OAHLLOKOSA-N 1 2 376.526 4.105 20 0 GIADLO C[N@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S ZINC000176090509 823117418 /nfs/dbraw/zinc/11/74/18/823117418.db2.gz CFOPIFSXXLWYLF-INIZCTEOSA-N 1 2 398.507 4.135 20 0 GIADLO C[N@@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S ZINC000176090509 823117421 /nfs/dbraw/zinc/11/74/21/823117421.db2.gz CFOPIFSXXLWYLF-INIZCTEOSA-N 1 2 398.507 4.135 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc(F)cc2OC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000121114865 823121227 /nfs/dbraw/zinc/12/12/27/823121227.db2.gz JRSYDVJREIORRB-KXBFYZLASA-N 1 2 386.471 4.459 20 0 GIADLO Cc1cnc([C@H](C)NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000121129450 823123402 /nfs/dbraw/zinc/12/34/02/823123402.db2.gz MSZMJTKTMCSKCT-KNXALSJPSA-N 1 2 396.919 4.050 20 0 GIADLO Cc1cnc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000121129450 823123403 /nfs/dbraw/zinc/12/34/03/823123403.db2.gz MSZMJTKTMCSKCT-KNXALSJPSA-N 1 2 396.919 4.050 20 0 GIADLO CSc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000176116041 823125447 /nfs/dbraw/zinc/12/54/47/823125447.db2.gz UWKAZCZYMNEINK-UHFFFAOYSA-N 1 2 376.913 4.247 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)c[nH+]1 ZINC000459087056 823126160 /nfs/dbraw/zinc/12/61/60/823126160.db2.gz WMCPKZDIYWCSQO-UHFFFAOYSA-N 1 2 378.476 4.237 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000571068522 823127591 /nfs/dbraw/zinc/12/75/91/823127591.db2.gz IUXPFAAFXPEPLA-UHFFFAOYSA-N 1 2 376.460 4.246 20 0 GIADLO CCCCc1ccc(C(=O)CCC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000571072576 823128158 /nfs/dbraw/zinc/12/81/58/823128158.db2.gz UFGXUPCKWIDIBJ-UHFFFAOYSA-N 1 2 390.487 4.271 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000121189931 823135293 /nfs/dbraw/zinc/13/52/93/823135293.db2.gz MLZNBYYAJXPJSG-KGLIPLIRSA-N 1 2 391.503 4.369 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000121189931 823135298 /nfs/dbraw/zinc/13/52/98/823135298.db2.gz MLZNBYYAJXPJSG-KGLIPLIRSA-N 1 2 391.503 4.369 20 0 GIADLO Cc1ccc(-n2cnn(C[N@H+](C)CCC3CCOCC3)c2=S)cc1Cl ZINC000121165750 823130735 /nfs/dbraw/zinc/13/07/35/823130735.db2.gz IUGAQLQNQXDDSN-UHFFFAOYSA-N 1 2 380.945 4.071 20 0 GIADLO Cc1ccc(-n2cnn(C[N@@H+](C)CCC3CCOCC3)c2=S)cc1Cl ZINC000121165750 823130738 /nfs/dbraw/zinc/13/07/38/823130738.db2.gz IUGAQLQNQXDDSN-UHFFFAOYSA-N 1 2 380.945 4.071 20 0 GIADLO C[C@H](CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000121241429 823145793 /nfs/dbraw/zinc/14/57/93/823145793.db2.gz DTCIYVKAERFSAA-KDOFPFPSSA-N 1 2 378.394 4.274 20 0 GIADLO S=c1n(C[NH+]2C[C@H]3CCCC[C@@H]3C2)nc(-c2ccncc2)n1Cc1ccco1 ZINC000176196021 823149917 /nfs/dbraw/zinc/14/99/17/823149917.db2.gz HUUHCORLVPOIEQ-QZTJIDSGSA-N 1 2 395.532 4.197 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)cc(Cl)c1O ZINC000459292696 823157338 /nfs/dbraw/zinc/15/73/38/823157338.db2.gz OFWVRCYQRHDCPC-UHFFFAOYSA-N 1 2 376.884 4.132 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)cc(Cl)c1O ZINC000459292696 823157343 /nfs/dbraw/zinc/15/73/43/823157343.db2.gz OFWVRCYQRHDCPC-UHFFFAOYSA-N 1 2 376.884 4.132 20 0 GIADLO O=C(Nc1cc(C(F)F)ccc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571323768 823165122 /nfs/dbraw/zinc/16/51/22/823165122.db2.gz QTNMATPDHRTIDI-KRWDZBQOSA-N 1 2 380.822 4.117 20 0 GIADLO O=C(Nc1cc(C(F)F)ccc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571323768 823165124 /nfs/dbraw/zinc/16/51/24/823165124.db2.gz QTNMATPDHRTIDI-KRWDZBQOSA-N 1 2 380.822 4.117 20 0 GIADLO Cc1nc2c(cnn2C(C)C)cc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000571370186 823172978 /nfs/dbraw/zinc/17/29/78/823172978.db2.gz XJNQMZYCWGVECC-UHFFFAOYSA-N 1 2 399.458 4.282 20 0 GIADLO Cn1c[nH+]cc1CCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000121376308 823173266 /nfs/dbraw/zinc/17/32/66/823173266.db2.gz NTXDKNIGORKAJN-UHFFFAOYSA-N 1 2 385.920 4.338 20 0 GIADLO COC(=O)c1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c(C)o1 ZINC000571380838 823175192 /nfs/dbraw/zinc/17/51/92/823175192.db2.gz ASKKDQUMVVUCHS-XIKOKIGWSA-N 1 2 397.393 4.355 20 0 GIADLO COC(=O)c1cc(C[N@H+]2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c(C)o1 ZINC000571380838 823175193 /nfs/dbraw/zinc/17/51/93/823175193.db2.gz ASKKDQUMVVUCHS-XIKOKIGWSA-N 1 2 397.393 4.355 20 0 GIADLO CCN(C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC)c1 ZINC000459372850 823175351 /nfs/dbraw/zinc/17/53/51/823175351.db2.gz ZUVFNZQXSPWGSP-HDICACEKSA-N 1 2 397.519 4.363 20 0 GIADLO CCN(C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC)c1 ZINC000459372850 823175353 /nfs/dbraw/zinc/17/53/53/823175353.db2.gz ZUVFNZQXSPWGSP-HDICACEKSA-N 1 2 397.519 4.363 20 0 GIADLO Oc1cccc(C[NH2+]Cc2ccccc2OCC(F)(F)F)c1Br ZINC000459375645 823176142 /nfs/dbraw/zinc/17/61/42/823176142.db2.gz QPFGRMCGMZBWDD-UHFFFAOYSA-N 1 2 390.199 4.386 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000056597819 823177779 /nfs/dbraw/zinc/17/77/79/823177779.db2.gz DVICSCRCWKRJMO-IBGZPJMESA-N 1 2 398.938 4.252 20 0 GIADLO CCN(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccc(OC)cc1 ZINC000459384906 823179619 /nfs/dbraw/zinc/17/96/19/823179619.db2.gz IURSHGQESYEMAE-KRWDZBQOSA-N 1 2 383.492 4.147 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)c2cc(C)n(Cc3cccs3)c2C)ccc1O ZINC000176320356 823181057 /nfs/dbraw/zinc/18/10/57/823181057.db2.gz NWTSIUYLJPAMOF-UHFFFAOYSA-N 1 2 398.528 4.244 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)c2cc(C)n(Cc3cccs3)c2C)ccc1O ZINC000176320356 823181060 /nfs/dbraw/zinc/18/10/60/823181060.db2.gz NWTSIUYLJPAMOF-UHFFFAOYSA-N 1 2 398.528 4.244 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@H](c2cccc(Cl)c2)C2CCCCC2)n1 ZINC000459391068 823181112 /nfs/dbraw/zinc/18/11/12/823181112.db2.gz UOLXADGDMNLNSM-KRWDZBQOSA-N 1 2 377.872 4.311 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1 ZINC000459391000 823181141 /nfs/dbraw/zinc/18/11/41/823181141.db2.gz UHBTYKJGXWUOPH-PZJWPPBQSA-N 1 2 391.471 4.197 20 0 GIADLO Cc1c[nH+]c2cc(C(=O)N3CCC(c4ccccc4Br)CC3)ccn12 ZINC000571461632 823186429 /nfs/dbraw/zinc/18/64/29/823186429.db2.gz UATVHEPFDQLHDK-UHFFFAOYSA-N 1 2 398.304 4.425 20 0 GIADLO COc1ccc(C[C@H](C)C[N@H+](C)Cn2nc(C3CC3)n(C3CC3)c2=S)cc1 ZINC000121449953 823186661 /nfs/dbraw/zinc/18/66/61/823186661.db2.gz NIZIKPKKXKVTRW-HNNXBMFYSA-N 1 2 386.565 4.403 20 0 GIADLO COc1ccc(C[C@H](C)C[N@@H+](C)Cn2nc(C3CC3)n(C3CC3)c2=S)cc1 ZINC000121449953 823186668 /nfs/dbraw/zinc/18/66/68/823186668.db2.gz NIZIKPKKXKVTRW-HNNXBMFYSA-N 1 2 386.565 4.403 20 0 GIADLO CC(C)c1ccc(-c2nc(C[N@@H+]3CCCN(C(=O)C4CC4)CC3)cs2)cc1 ZINC000121476662 823191799 /nfs/dbraw/zinc/19/17/99/823191799.db2.gz FOCVRRSCKAHRCB-UHFFFAOYSA-N 1 2 383.561 4.378 20 0 GIADLO CC(C)c1ccc(-c2nc(C[N@H+]3CCCN(C(=O)C4CC4)CC3)cs2)cc1 ZINC000121476662 823191802 /nfs/dbraw/zinc/19/18/02/823191802.db2.gz FOCVRRSCKAHRCB-UHFFFAOYSA-N 1 2 383.561 4.378 20 0 GIADLO Cc1noc(C[C@@H]([NH2+]Cc2ncc(-c3ccc(F)cc3)o2)c2ccccc2)n1 ZINC000571499734 823192526 /nfs/dbraw/zinc/19/25/26/823192526.db2.gz OEDAONLDDIMFQB-GOSISDBHSA-N 1 2 378.407 4.246 20 0 GIADLO CC(C)c1nnc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)s1 ZINC000459446043 823193664 /nfs/dbraw/zinc/19/36/64/823193664.db2.gz SPSSUZYEHVBZGF-UHFFFAOYSA-N 1 2 382.537 4.325 20 0 GIADLO COc1cc(OC)cc([C@@H]([NH2+]Cc2ccc(C3CC3)cc2)c2nccn2C)c1 ZINC000459464208 823197367 /nfs/dbraw/zinc/19/73/67/823197367.db2.gz MCFYHTIBSDFDNY-JOCHJYFZSA-N 1 2 377.488 4.194 20 0 GIADLO O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000056719122 823199580 /nfs/dbraw/zinc/19/95/80/823199580.db2.gz HHXOQHRISYZAHH-UHFFFAOYSA-N 1 2 392.434 4.367 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000571602577 823206531 /nfs/dbraw/zinc/20/65/31/823206531.db2.gz ZGAZCHFPCBJEPP-CZUORRHYSA-N 1 2 392.475 4.085 20 0 GIADLO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459528607 823212229 /nfs/dbraw/zinc/21/22/29/823212229.db2.gz LABYGWZYWCMTDH-PXNSSMCTSA-N 1 2 387.524 4.187 20 0 GIADLO OCC1([C@@H]([NH2+]Cc2nc(-c3ccc(F)c(F)c3)no2)c2ccccc2)CCCC1 ZINC000459528761 823212245 /nfs/dbraw/zinc/21/22/45/823212245.db2.gz LNGXNSYTGRYFMQ-FQEVSTJZSA-N 1 2 399.441 4.398 20 0 GIADLO OCC1([C@H]([NH2+]Cc2nc(-c3ccc(F)cc3)no2)c2ccccc2)CCCC1 ZINC000459518693 823209872 /nfs/dbraw/zinc/20/98/72/823209872.db2.gz CQSONBXYRAFIRL-HXUWFJFHSA-N 1 2 381.451 4.259 20 0 GIADLO Cc1nc([C@H](C)[N@@H+]2CCCN(C(=O)C3CC3)CC2)oc1-c1ccc(Cl)cc1 ZINC000121619029 823217207 /nfs/dbraw/zinc/21/72/07/823217207.db2.gz ULQBXHUECHJXFU-HNNXBMFYSA-N 1 2 387.911 4.309 20 0 GIADLO Cc1nc([C@H](C)[N@H+]2CCCN(C(=O)C3CC3)CC2)oc1-c1ccc(Cl)cc1 ZINC000121619029 823217210 /nfs/dbraw/zinc/21/72/10/823217210.db2.gz ULQBXHUECHJXFU-HNNXBMFYSA-N 1 2 387.911 4.309 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccc(Br)cc1F ZINC000571691342 823219491 /nfs/dbraw/zinc/21/94/91/823219491.db2.gz ZRQDOFCZENJFMM-LBPRGKRZSA-N 1 2 389.272 4.235 20 0 GIADLO CCOc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc(Br)c1O ZINC000459560646 823220617 /nfs/dbraw/zinc/22/06/17/823220617.db2.gz JZPYXNAGOJXEGW-QAPCUYQASA-N 1 2 396.325 4.087 20 0 GIADLO CCOc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc(Br)c1O ZINC000459560646 823220619 /nfs/dbraw/zinc/22/06/19/823220619.db2.gz JZPYXNAGOJXEGW-QAPCUYQASA-N 1 2 396.325 4.087 20 0 GIADLO COc1ccccc1-c1nc(C[S@@](=O)Cc2cn3cccc(C)c3[nH+]2)cs1 ZINC000176498723 823222049 /nfs/dbraw/zinc/22/20/49/823222049.db2.gz ONXBNOXWIQHCII-MHZLTWQESA-N 1 2 397.525 4.224 20 0 GIADLO COc1ccc(C(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000459584048 823225536 /nfs/dbraw/zinc/22/55/36/823225536.db2.gz AOBZGBYOZANJRU-GOSISDBHSA-N 1 2 389.293 4.263 20 0 GIADLO COc1ccc(C(=O)CC[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc1 ZINC000459584048 823225542 /nfs/dbraw/zinc/22/55/42/823225542.db2.gz AOBZGBYOZANJRU-GOSISDBHSA-N 1 2 389.293 4.263 20 0 GIADLO O=C(C[C@@H]1CCCc2ccccc21)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000409465577 823226481 /nfs/dbraw/zinc/22/64/81/823226481.db2.gz WJOMQVOBHQWSAY-IBGZPJMESA-N 1 2 375.472 4.411 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000056878969 823227280 /nfs/dbraw/zinc/22/72/80/823227280.db2.gz DBPVDYOMAQTHPD-OAHLLOKOSA-N 1 2 384.867 4.326 20 0 GIADLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000121672819 823227493 /nfs/dbraw/zinc/22/74/93/823227493.db2.gz YXZXGHLAMMMBSI-KGLIPLIRSA-N 1 2 381.455 4.085 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000056848463 823223411 /nfs/dbraw/zinc/22/34/11/823223411.db2.gz GOHZESKLQVELJN-HSZRJFAPSA-N 1 2 388.515 4.238 20 0 GIADLO COc1ccc([C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C(C)C)cc1 ZINC000056894683 823229077 /nfs/dbraw/zinc/22/90/77/823229077.db2.gz ZBDOWMFEHGUNIM-NRFANRHFSA-N 1 2 378.476 4.077 20 0 GIADLO C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000056894441 823229129 /nfs/dbraw/zinc/22/91/29/823229129.db2.gz GDNZKROTSHZOGS-CQSZACIVSA-N 1 2 388.393 4.452 20 0 GIADLO CC(C)Oc1ccccc1[C@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895378 823229227 /nfs/dbraw/zinc/22/92/27/823229227.db2.gz YEIQKOYIBWPAAL-KRWDZBQOSA-N 1 2 378.476 4.220 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CCc2c1cccc2Cl ZINC000056902010 823230361 /nfs/dbraw/zinc/23/03/61/823230361.db2.gz ZUTIDYHHQHMQMS-FQEVSTJZSA-N 1 2 380.879 4.072 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CCc2c1cccc2Cl ZINC000056902012 823230395 /nfs/dbraw/zinc/23/03/95/823230395.db2.gz ZUTIDYHHQHMQMS-HXUWFJFHSA-N 1 2 380.879 4.072 20 0 GIADLO COc1cccc(COc2cccc(Cl)c2C[NH+]2CC(c3nc(C)no3)C2)c1 ZINC000459617447 823230614 /nfs/dbraw/zinc/23/06/14/823230614.db2.gz ZXSKMEFDPHGVRE-UHFFFAOYSA-N 1 2 399.878 4.218 20 0 GIADLO COc1ccc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)c(Br)c1OC ZINC000459632268 823233434 /nfs/dbraw/zinc/23/34/34/823233434.db2.gz JFQZTMZKZABKOD-SNVBAGLBSA-N 1 2 397.338 4.262 20 0 GIADLO FC(F)(F)c1ncc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459643338 823236420 /nfs/dbraw/zinc/23/64/20/823236420.db2.gz CMSLUOIVIGJNTJ-LLVKDONJSA-N 1 2 388.377 4.343 20 0 GIADLO FC(F)(F)c1ncc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459643338 823236423 /nfs/dbraw/zinc/23/64/23/823236423.db2.gz CMSLUOIVIGJNTJ-LLVKDONJSA-N 1 2 388.377 4.343 20 0 GIADLO O=S1(=O)C[C@@H]([NH2+]Cc2ccc(Sc3ccccc3)cc2)c2ccccc21 ZINC000571822760 823239554 /nfs/dbraw/zinc/23/95/54/823239554.db2.gz JSWJWJXCQDXETR-HXUWFJFHSA-N 1 2 381.522 4.456 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)c1 ZINC000057024514 823240317 /nfs/dbraw/zinc/24/03/17/823240317.db2.gz GOYRXRLVPWRSSN-OAQYLSRUSA-N 1 2 379.548 4.378 20 0 GIADLO CO[C@@H](C)c1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658928 823243013 /nfs/dbraw/zinc/24/30/13/823243013.db2.gz JMWSHDKBVOVDEJ-GXTWGEPZSA-N 1 2 378.460 4.032 20 0 GIADLO CO[C@@H](C)c1nc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658928 823243016 /nfs/dbraw/zinc/24/30/16/823243016.db2.gz JMWSHDKBVOVDEJ-GXTWGEPZSA-N 1 2 378.460 4.032 20 0 GIADLO Cc1c2cccc(C)c2oc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000057055962 823244256 /nfs/dbraw/zinc/24/42/56/823244256.db2.gz YCZIXTUQSOTHGL-UHFFFAOYSA-N 1 2 377.488 4.049 20 0 GIADLO Cn1c(=S)n(C[N@H+](C)C2Cc3ccccc3C2)nc1-c1ccccc1Cl ZINC000057104226 823249849 /nfs/dbraw/zinc/24/98/49/823249849.db2.gz GFSYXUNBLYNNMM-UHFFFAOYSA-N 1 2 384.936 4.328 20 0 GIADLO Cn1c(=S)n(C[N@@H+](C)C2Cc3ccccc3C2)nc1-c1ccccc1Cl ZINC000057104226 823249854 /nfs/dbraw/zinc/24/98/54/823249854.db2.gz GFSYXUNBLYNNMM-UHFFFAOYSA-N 1 2 384.936 4.328 20 0 GIADLO CCc1nc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)sc1C(C)(C)C ZINC000459700490 823253110 /nfs/dbraw/zinc/25/31/10/823253110.db2.gz MLHLFDVMYNFOQN-UHFFFAOYSA-N 1 2 375.542 4.200 20 0 GIADLO CC(C)(C)c1nnc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)[nH]1 ZINC000459714955 823255454 /nfs/dbraw/zinc/25/54/54/823255454.db2.gz UMVLUOZBDQYCSU-UHFFFAOYSA-N 1 2 386.503 4.245 20 0 GIADLO O=C(C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1)Nc1ccccc1Cc1ccccc1 ZINC000571928353 823255759 /nfs/dbraw/zinc/25/57/59/823255759.db2.gz BGUXZBPSHZRQGC-HXUWFJFHSA-N 1 2 394.906 4.013 20 0 GIADLO O=C(C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1)Nc1ccccc1Cc1ccccc1 ZINC000571928353 823255764 /nfs/dbraw/zinc/25/57/64/823255764.db2.gz BGUXZBPSHZRQGC-HXUWFJFHSA-N 1 2 394.906 4.013 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409606224 823260014 /nfs/dbraw/zinc/26/00/14/823260014.db2.gz DIPYXAXXHWIKSI-UHFFFAOYSA-N 1 2 388.830 4.304 20 0 GIADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121854173 823263662 /nfs/dbraw/zinc/26/36/62/823263662.db2.gz ITKKGMCUYSEFOC-OAHLLOKOSA-N 1 2 383.521 4.354 20 0 GIADLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121854173 823263663 /nfs/dbraw/zinc/26/36/63/823263663.db2.gz ITKKGMCUYSEFOC-OAHLLOKOSA-N 1 2 383.521 4.354 20 0 GIADLO CC[N@H+](CCC(=O)c1ccc(F)cc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000121878686 823268773 /nfs/dbraw/zinc/26/87/73/823268773.db2.gz CVQFYTAVRYCBJQ-UHFFFAOYSA-N 1 2 396.384 4.378 20 0 GIADLO CC[N@@H+](CCC(=O)c1ccc(F)cc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000121878686 823268777 /nfs/dbraw/zinc/26/87/77/823268777.db2.gz CVQFYTAVRYCBJQ-UHFFFAOYSA-N 1 2 396.384 4.378 20 0 GIADLO O=C(CSC[C@H]1CCCCO1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000571996072 823267268 /nfs/dbraw/zinc/26/72/68/823267268.db2.gz LIORBFVPCYDMDV-QGZVFWFLSA-N 1 2 385.533 4.127 20 0 GIADLO COc1ccccc1COc1cccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1C ZINC000572013523 823269367 /nfs/dbraw/zinc/26/93/67/823269367.db2.gz CPLFRPVVSAFXDW-OAHLLOKOSA-N 1 2 379.460 4.123 20 0 GIADLO COc1ccccc1COc1cccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C ZINC000572013523 823269370 /nfs/dbraw/zinc/26/93/70/823269370.db2.gz CPLFRPVVSAFXDW-OAHLLOKOSA-N 1 2 379.460 4.123 20 0 GIADLO Cc1ccc(NC(=O)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1C ZINC000188616270 823273612 /nfs/dbraw/zinc/27/36/12/823273612.db2.gz YJOLVERBOLKHNW-UHFFFAOYSA-N 1 2 388.471 4.080 20 0 GIADLO Cc1oc(-c2ccccc2)c(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC000188639008 823278386 /nfs/dbraw/zinc/27/83/86/823278386.db2.gz VWBULHFLAJLFMK-GOSISDBHSA-N 1 2 377.488 4.392 20 0 GIADLO c1ccc(C2CC(Cc3nc(-c4ccccc4C[NH+]4CCOCC4)no3)C2)cc1 ZINC000572077158 823278692 /nfs/dbraw/zinc/27/86/92/823278692.db2.gz VKUQYLLTTGCXJK-UHFFFAOYSA-N 1 2 389.499 4.305 20 0 GIADLO Cc1nn(C(C)C)cc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000572056561 823275253 /nfs/dbraw/zinc/27/52/53/823275253.db2.gz UHTULSJATNZXDJ-SFHVURJKSA-N 1 2 392.906 4.132 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(NCc3ccc(OC(F)F)cn3)c12 ZINC000409656782 823275458 /nfs/dbraw/zinc/27/54/58/823275458.db2.gz KWPBYODJHWMKNE-UHFFFAOYSA-N 1 2 398.182 4.167 20 0 GIADLO Cc1ccc2[nH+]c(CSc3nnc(COc4ccc(Cl)cc4)n3C)cn2c1 ZINC000006106404 817654526 /nfs/dbraw/zinc/65/45/26/817654526.db2.gz LIVALEYSNLBBEF-UHFFFAOYSA-N 1 2 399.907 4.296 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000057372966 823283874 /nfs/dbraw/zinc/28/38/74/823283874.db2.gz ZKDQKISNUIGLRL-UHFFFAOYSA-N 1 2 381.307 4.344 20 0 GIADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+](C)Cc1cccc(F)c1 ZINC000007004329 817737996 /nfs/dbraw/zinc/73/79/96/817737996.db2.gz LJFODRKUASXAPQ-OLZOCXBDSA-N 1 2 385.508 4.442 20 0 GIADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+](C)Cc1cccc(F)c1 ZINC000007004329 817738000 /nfs/dbraw/zinc/73/80/00/817738000.db2.gz LJFODRKUASXAPQ-OLZOCXBDSA-N 1 2 385.508 4.442 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N[C@@H]3CCO[C@]4(CCSC4)C3)c12 ZINC000409730778 823292783 /nfs/dbraw/zinc/29/27/83/823292783.db2.gz IUQKSURVDSLDGH-PIGZYNQJSA-N 1 2 397.313 4.025 20 0 GIADLO Cc1noc(C)c1[C@H](C)CNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000409732073 823293473 /nfs/dbraw/zinc/29/34/73/823293473.db2.gz SNABREBVZULUBS-SECBINFHSA-N 1 2 378.245 4.379 20 0 GIADLO Cc1cc(O[C@H](C)C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)ccc1Cl ZINC000572186212 823296761 /nfs/dbraw/zinc/29/67/61/823296761.db2.gz SAAJZQGITKOWJE-BRWVUGGUSA-N 1 2 387.911 4.350 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 ZINC000007719567 817902424 /nfs/dbraw/zinc/90/24/24/817902424.db2.gz QDFWJRXMJUVMPF-LJQANCHMSA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 ZINC000007719567 817902430 /nfs/dbraw/zinc/90/24/30/817902430.db2.gz QDFWJRXMJUVMPF-LJQANCHMSA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 ZINC000007719568 817902503 /nfs/dbraw/zinc/90/25/03/817902503.db2.gz QDFWJRXMJUVMPF-IBGZPJMESA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 ZINC000007719568 817902512 /nfs/dbraw/zinc/90/25/12/817902512.db2.gz QDFWJRXMJUVMPF-IBGZPJMESA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000007719553 817902549 /nfs/dbraw/zinc/90/25/49/817902549.db2.gz SYBKSWQKXIBAJZ-LJQANCHMSA-N 1 2 388.895 4.441 20 0 GIADLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2C)c(OC)c1 ZINC000007719553 817902554 /nfs/dbraw/zinc/90/25/54/817902554.db2.gz SYBKSWQKXIBAJZ-LJQANCHMSA-N 1 2 388.895 4.441 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N(Cc1ccccc1)CC1CCC1 ZINC000057484644 823303207 /nfs/dbraw/zinc/30/32/07/823303207.db2.gz NOWXDWKVQRPTIM-UHFFFAOYSA-N 1 2 388.515 4.443 20 0 GIADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)Cc2ccsc2)c1 ZINC000007806529 817921386 /nfs/dbraw/zinc/92/13/86/817921386.db2.gz SOLMGKPHHOJGKN-UHFFFAOYSA-N 1 2 393.512 4.379 20 0 GIADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)Cc2ccsc2)c1 ZINC000007806529 817921391 /nfs/dbraw/zinc/92/13/91/817921391.db2.gz SOLMGKPHHOJGKN-UHFFFAOYSA-N 1 2 393.512 4.379 20 0 GIADLO CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000011095882 818051752 /nfs/dbraw/zinc/05/17/52/818051752.db2.gz KCTZHQQSXZYXKK-SFHVURJKSA-N 1 2 393.531 4.033 20 0 GIADLO Cc1ccc(-c2nc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cs2)c(C)c1 ZINC000572252390 823307825 /nfs/dbraw/zinc/30/78/25/823307825.db2.gz BPHBJORLDTYSBI-MAUKXSAKSA-N 1 2 396.516 4.403 20 0 GIADLO Cc1ccc(-c2nc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cs2)c(C)c1 ZINC000572252390 823307830 /nfs/dbraw/zinc/30/78/30/823307830.db2.gz BPHBJORLDTYSBI-MAUKXSAKSA-N 1 2 396.516 4.403 20 0 GIADLO CC(C)c1ccccc1NC(=O)C[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000572250900 823307947 /nfs/dbraw/zinc/30/79/47/823307947.db2.gz LGUWLNDIAHLXTC-QGZVFWFLSA-N 1 2 377.492 4.279 20 0 GIADLO CCN(C(=O)[C@H]1Cc2ccccc21)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000460185753 823309462 /nfs/dbraw/zinc/30/94/62/823309462.db2.gz LKQGQWBHEJZLLA-NRFANRHFSA-N 1 2 392.547 4.066 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2cnn(-c3ccccc3)c2)c(C)c1 ZINC000011459301 818083482 /nfs/dbraw/zinc/08/34/82/818083482.db2.gz ZHWOPHBFHMEXHL-IBGZPJMESA-N 1 2 376.504 4.257 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c(C)c1 ZINC000011459301 818083488 /nfs/dbraw/zinc/08/34/88/818083488.db2.gz ZHWOPHBFHMEXHL-IBGZPJMESA-N 1 2 376.504 4.257 20 0 GIADLO C[N@H+](C/C=C/c1ccc(F)c(F)c1)CC(=O)Nc1ccccc1Br ZINC000572285522 823313676 /nfs/dbraw/zinc/31/36/76/823313676.db2.gz QYAZXOGFJKTCFP-SNAWJCMRSA-N 1 2 395.247 4.311 20 0 GIADLO C[N@@H+](C/C=C/c1ccc(F)c(F)c1)CC(=O)Nc1ccccc1Br ZINC000572285522 823313681 /nfs/dbraw/zinc/31/36/81/823313681.db2.gz QYAZXOGFJKTCFP-SNAWJCMRSA-N 1 2 395.247 4.311 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2OCC(C)C)c1C ZINC000057617435 823315348 /nfs/dbraw/zinc/31/53/48/823315348.db2.gz JNHPKIFYQGCBJK-UHFFFAOYSA-N 1 2 385.508 4.083 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000409830481 823319296 /nfs/dbraw/zinc/31/92/96/823319296.db2.gz SHORSXDUKAFAGK-HUUCEWRRSA-N 1 2 379.426 4.024 20 0 GIADLO Cn1ncc2c1nc[nH+]c2N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000014280556 818231597 /nfs/dbraw/zinc/23/15/97/818231597.db2.gz VFQSQLMTQZMNPI-UHFFFAOYSA-N 1 2 384.896 4.010 20 0 GIADLO C[C@H](NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000014320838 818234578 /nfs/dbraw/zinc/23/45/78/818234578.db2.gz MIGQQGUIRYUCRU-INIZCTEOSA-N 1 2 384.907 4.112 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000014327289 818235919 /nfs/dbraw/zinc/23/59/19/818235919.db2.gz ROIGMPOQMFHOIS-GOSISDBHSA-N 1 2 394.515 4.234 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(Br)cc3)n2)CC1 ZINC000014526769 818249792 /nfs/dbraw/zinc/24/97/92/818249792.db2.gz SQFUGDGSPTWXCJ-UHFFFAOYSA-N 1 2 394.338 4.390 20 0 GIADLO CC(C)[C@H](CNC(=O)N1CCn2c[nH+]cc2C1)Cc1ccc(Cl)cc1Cl ZINC000460226963 823323706 /nfs/dbraw/zinc/32/37/06/823323706.db2.gz KDCUNHFVMBVPMG-HNNXBMFYSA-N 1 2 395.334 4.230 20 0 GIADLO CC(C)c1ccc(CCNC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000014809200 818268909 /nfs/dbraw/zinc/26/89/09/818268909.db2.gz FIGSMTWMTVGSFS-UHFFFAOYSA-N 1 2 392.543 4.064 20 0 GIADLO CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000188904411 823325905 /nfs/dbraw/zinc/32/59/05/823325905.db2.gz LULJFYBKKWCERP-UHFFFAOYSA-N 1 2 391.437 4.018 20 0 GIADLO C[N@H+](CCOc1ccc(Br)cc1)Cc1nc(-c2ccsc2)no1 ZINC000015297995 818308759 /nfs/dbraw/zinc/30/87/59/818308759.db2.gz KVJSRIZNQGTGOR-UHFFFAOYSA-N 1 2 394.294 4.071 20 0 GIADLO C[N@@H+](CCOc1ccc(Br)cc1)Cc1nc(-c2ccsc2)no1 ZINC000015297995 818308767 /nfs/dbraw/zinc/30/87/67/818308767.db2.gz KVJSRIZNQGTGOR-UHFFFAOYSA-N 1 2 394.294 4.071 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(Cl)ccc1OC ZINC000015299951 818309272 /nfs/dbraw/zinc/30/92/72/818309272.db2.gz MCFKFQKHAFFAOJ-UHFFFAOYSA-N 1 2 376.884 4.208 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(Cl)ccc1OC ZINC000015299951 818309280 /nfs/dbraw/zinc/30/92/80/818309280.db2.gz MCFKFQKHAFFAOJ-UHFFFAOYSA-N 1 2 376.884 4.208 20 0 GIADLO CCOc1ccc(C[N@H+](C)CC(=O)N(CC)c2nc3ccccc3s2)cc1 ZINC000015412108 818322635 /nfs/dbraw/zinc/32/26/35/818322635.db2.gz URYYAXADJJNHPM-UHFFFAOYSA-N 1 2 383.517 4.180 20 0 GIADLO CCOc1ccc(C[N@@H+](C)CC(=O)N(CC)c2nc3ccccc3s2)cc1 ZINC000015412108 818322644 /nfs/dbraw/zinc/32/26/44/818322644.db2.gz URYYAXADJJNHPM-UHFFFAOYSA-N 1 2 383.517 4.180 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(Cl)cc1OC(F)F ZINC000460242813 823328635 /nfs/dbraw/zinc/32/86/35/823328635.db2.gz UATWWNDELUMIQU-UHFFFAOYSA-N 1 2 392.793 4.449 20 0 GIADLO CCOc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2CC)cc1OCC ZINC000015547297 818336363 /nfs/dbraw/zinc/33/63/63/818336363.db2.gz LUHAPPSOARQMHD-QGZVFWFLSA-N 1 2 388.533 4.493 20 0 GIADLO CCOc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2CC)cc1OCC ZINC000015547297 818336367 /nfs/dbraw/zinc/33/63/67/818336367.db2.gz LUHAPPSOARQMHD-QGZVFWFLSA-N 1 2 388.533 4.493 20 0 GIADLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000015548373 818337199 /nfs/dbraw/zinc/33/71/99/818337199.db2.gz QSZARIRMLOETNB-QGZVFWFLSA-N 1 2 395.528 4.209 20 0 GIADLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000015548373 818337205 /nfs/dbraw/zinc/33/72/05/818337205.db2.gz QSZARIRMLOETNB-QGZVFWFLSA-N 1 2 395.528 4.209 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000057760801 823329512 /nfs/dbraw/zinc/32/95/12/823329512.db2.gz OIZVANVPVQPTHV-UHFFFAOYSA-N 1 2 397.519 4.222 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3csc(C(F)(F)F)n3)n2)C1 ZINC000188944275 823331639 /nfs/dbraw/zinc/33/16/39/823331639.db2.gz SUVOZKDNGRGPIA-VIFPVBQESA-N 1 2 390.456 4.103 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3csc(C(F)(F)F)n3)n2)C1 ZINC000188944275 823331645 /nfs/dbraw/zinc/33/16/45/823331645.db2.gz SUVOZKDNGRGPIA-VIFPVBQESA-N 1 2 390.456 4.103 20 0 GIADLO CCCCOc1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)c(Cl)c1 ZINC000572405636 823333618 /nfs/dbraw/zinc/33/36/18/823333618.db2.gz CNHJXSPHKOIUNS-KRWDZBQOSA-N 1 2 379.888 4.351 20 0 GIADLO CCCCOc1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)c(Cl)c1 ZINC000572405636 823333624 /nfs/dbraw/zinc/33/36/24/823333624.db2.gz CNHJXSPHKOIUNS-KRWDZBQOSA-N 1 2 379.888 4.351 20 0 GIADLO Cc1ccc(C[N@H+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)o1 ZINC000016377540 818431582 /nfs/dbraw/zinc/43/15/82/818431582.db2.gz SUKIFLRTLUTDFV-UHFFFAOYSA-N 1 2 376.500 4.358 20 0 GIADLO Cc1ccc(C[N@@H+](C)CC(=O)NCCC(c2ccccc2)c2ccccc2)o1 ZINC000016377540 818431588 /nfs/dbraw/zinc/43/15/88/818431588.db2.gz SUKIFLRTLUTDFV-UHFFFAOYSA-N 1 2 376.500 4.358 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@H](C)C(=O)Nc1cccc(C)c1)CC2 ZINC000016418904 818440485 /nfs/dbraw/zinc/44/04/85/818440485.db2.gz PSEGRJPMGVJPFR-QGZVFWFLSA-N 1 2 382.504 4.178 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@H+]([C@H](C)C(=O)Nc1cccc(C)c1)CC2 ZINC000016418904 818440487 /nfs/dbraw/zinc/44/04/87/818440487.db2.gz PSEGRJPMGVJPFR-QGZVFWFLSA-N 1 2 382.504 4.178 20 0 GIADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1c(F)ccc(O)c1F ZINC000572444856 823340522 /nfs/dbraw/zinc/34/05/22/823340522.db2.gz IESMNSLIBZUCGK-OAHLLOKOSA-N 1 2 394.849 4.108 20 0 GIADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1c(F)ccc(O)c1F ZINC000572444856 823340529 /nfs/dbraw/zinc/34/05/29/823340529.db2.gz IESMNSLIBZUCGK-OAHLLOKOSA-N 1 2 394.849 4.108 20 0 GIADLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000176980717 823341404 /nfs/dbraw/zinc/34/14/04/823341404.db2.gz CIROGLHCHPUWNH-NSHDSACASA-N 1 2 380.279 4.360 20 0 GIADLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000176980717 823341409 /nfs/dbraw/zinc/34/14/09/823341409.db2.gz CIROGLHCHPUWNH-NSHDSACASA-N 1 2 380.279 4.360 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2C[C@H]2c2ccccc2F)C[C@H](C)O1 ZINC000572460466 823344240 /nfs/dbraw/zinc/34/42/40/823344240.db2.gz XQJDKVBNTCCVML-FWJAZRMLSA-N 1 2 397.494 4.113 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2C[C@H]2c2ccccc2F)C[C@@H](C)O1 ZINC000572460467 823344316 /nfs/dbraw/zinc/34/43/16/823344316.db2.gz XQJDKVBNTCCVML-JWKLYUKHSA-N 1 2 397.494 4.113 20 0 GIADLO Cc1nc(-c2cccs2)sc1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000018110629 818547062 /nfs/dbraw/zinc/54/70/62/818547062.db2.gz PJFYDNVPKWSKMU-UHFFFAOYSA-N 1 2 397.569 4.446 20 0 GIADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(Br)o3)CC2)cc1 ZINC000018122224 818547957 /nfs/dbraw/zinc/54/79/57/818547957.db2.gz RIDQGNOLMNNRIL-UHFFFAOYSA-N 1 2 391.309 4.124 20 0 GIADLO CCc1cccc(CC)c1NC(=S)NCc1ccccc1C[NH+]1CCOCC1 ZINC000018165371 818552999 /nfs/dbraw/zinc/55/29/99/818552999.db2.gz ITFSYIAMBZAPHE-UHFFFAOYSA-N 1 2 397.588 4.130 20 0 GIADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000122376831 823346170 /nfs/dbraw/zinc/34/61/70/823346170.db2.gz DLZTYAHVCNEAMN-UHFFFAOYSA-N 1 2 378.303 4.011 20 0 GIADLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000122376831 823346174 /nfs/dbraw/zinc/34/61/74/823346174.db2.gz DLZTYAHVCNEAMN-UHFFFAOYSA-N 1 2 378.303 4.011 20 0 GIADLO CCc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@H]2c2cccs2)n1 ZINC000057903213 823346571 /nfs/dbraw/zinc/34/65/71/823346571.db2.gz AKEOKFFXSLTNCW-INIZCTEOSA-N 1 2 380.521 4.158 20 0 GIADLO CCc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@H]2c2cccs2)n1 ZINC000057903213 823346577 /nfs/dbraw/zinc/34/65/77/823346577.db2.gz AKEOKFFXSLTNCW-INIZCTEOSA-N 1 2 380.521 4.158 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000189079165 823353697 /nfs/dbraw/zinc/35/36/97/823353697.db2.gz ZOKKLAJSHWXESF-BMIGLBTASA-N 1 2 399.239 4.039 20 0 GIADLO COC(=O)c1c(C[NH2+][C@H](C)c2cn[nH]c2)nc2ccccc2c1-c1ccccc1 ZINC000460343866 823359395 /nfs/dbraw/zinc/35/93/95/823359395.db2.gz SPWPFNSPDKBWFB-OAHLLOKOSA-N 1 2 386.455 4.262 20 0 GIADLO O=C(CSCc1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000021905804 818754413 /nfs/dbraw/zinc/75/44/13/818754413.db2.gz YFXCUKBEDBWXGT-UHFFFAOYSA-N 1 2 390.936 4.044 20 0 GIADLO O=C(CCc1ccc(-c2ccccc2)o1)N1CC[NH+](Cc2cccs2)CC1 ZINC000021929636 818756322 /nfs/dbraw/zinc/75/63/22/818756322.db2.gz JFTJZYVNMRRLJU-UHFFFAOYSA-N 1 2 380.513 4.285 20 0 GIADLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000572558647 823360811 /nfs/dbraw/zinc/36/08/11/823360811.db2.gz IZUNLDDRGLBYTA-KRWDZBQOSA-N 1 2 394.544 4.062 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2cccc(C)n2)cc1 ZINC000122498749 823363400 /nfs/dbraw/zinc/36/34/00/823363400.db2.gz OYSRMCPTYYFKEK-UHFFFAOYSA-N 1 2 393.491 4.110 20 0 GIADLO COc1ccc2c(C)cc3nnc(SCc4cn5cc(C)ccc5[nH+]4)n3c2c1 ZINC000058152360 823365097 /nfs/dbraw/zinc/36/50/97/823365097.db2.gz SPUJFQATOOMWHV-UHFFFAOYSA-N 1 2 389.484 4.448 20 0 GIADLO Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000022611699 818833573 /nfs/dbraw/zinc/83/35/73/818833573.db2.gz UJPUJGXIYPFDAI-IBGZPJMESA-N 1 2 394.515 4.371 20 0 GIADLO CC(C)c1ccc(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000022773674 818858816 /nfs/dbraw/zinc/85/88/16/818858816.db2.gz XLABFLXJOYSOJK-RMKNXTFCSA-N 1 2 377.532 4.080 20 0 GIADLO C[C@@H](c1nnc(-c2cccs2)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022802521 818862457 /nfs/dbraw/zinc/86/24/57/818862457.db2.gz FGOPOHHHGSYPDL-MPNRVQBSSA-N 1 2 380.517 4.190 20 0 GIADLO CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000572622984 823370388 /nfs/dbraw/zinc/37/03/88/823370388.db2.gz KEWVHZKATWJLGK-FQEVSTJZSA-N 1 2 380.488 4.357 20 0 GIADLO CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000572622984 823370395 /nfs/dbraw/zinc/37/03/95/823370395.db2.gz KEWVHZKATWJLGK-FQEVSTJZSA-N 1 2 380.488 4.357 20 0 GIADLO COc1ccc(C[NH+]2CCN(c3cc4ccccc4c(Cl)n3)CC2)cc1F ZINC000022977606 818882686 /nfs/dbraw/zinc/88/26/86/818882686.db2.gz CXAWGVWQZHJLMR-UHFFFAOYSA-N 1 2 385.870 4.358 20 0 GIADLO Cc1ccc2c(C[N@H+](C)CC(=O)Nc3c(C)cc(C)cc3C)cc(=O)oc2c1 ZINC000023830609 818985808 /nfs/dbraw/zinc/98/58/08/818985808.db2.gz XYCRPMAUTAIHTO-UHFFFAOYSA-N 1 2 378.472 4.097 20 0 GIADLO Cc1ccc2c(C[N@@H+](C)CC(=O)Nc3c(C)cc(C)cc3C)cc(=O)oc2c1 ZINC000023830609 818985813 /nfs/dbraw/zinc/98/58/13/818985813.db2.gz XYCRPMAUTAIHTO-UHFFFAOYSA-N 1 2 378.472 4.097 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC(c1cccs1)c1cccs1 ZINC000122592994 823378108 /nfs/dbraw/zinc/37/81/08/823378108.db2.gz AFCBABFYCQWCPH-UHFFFAOYSA-N 1 2 398.557 4.394 20 0 GIADLO Cc1cc(Br)c2c(c1)C[N@H+](Cc1cccc(C(=O)N(C)C)c1)CC2 ZINC000189234901 823379837 /nfs/dbraw/zinc/37/98/37/823379837.db2.gz ALNISLBUMGNPGP-UHFFFAOYSA-N 1 2 387.321 4.018 20 0 GIADLO Cc1cc(Br)c2c(c1)C[N@@H+](Cc1cccc(C(=O)N(C)C)c1)CC2 ZINC000189234901 823379840 /nfs/dbraw/zinc/37/98/40/823379840.db2.gz ALNISLBUMGNPGP-UHFFFAOYSA-N 1 2 387.321 4.018 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000572675182 823380300 /nfs/dbraw/zinc/38/03/00/823380300.db2.gz RJKHYEWUNUEIJT-UHFFFAOYSA-N 1 2 376.504 4.242 20 0 GIADLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1OCC ZINC000024250456 819039592 /nfs/dbraw/zinc/03/95/92/819039592.db2.gz QPGPGXFKNIFTGC-AWEZNQCLSA-N 1 2 392.446 4.394 20 0 GIADLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1OCC ZINC000024250456 819039599 /nfs/dbraw/zinc/03/95/99/819039599.db2.gz QPGPGXFKNIFTGC-AWEZNQCLSA-N 1 2 392.446 4.394 20 0 GIADLO O=c1nc(C[N@H+](CCC(F)(F)F)CC2CC2)[nH]c2scc(-c3ccco3)c21 ZINC000177168927 823389606 /nfs/dbraw/zinc/38/96/06/823389606.db2.gz XHQFWXRYQZNBHV-UHFFFAOYSA-N 1 2 397.422 4.409 20 0 GIADLO O=c1nc(C[N@@H+](CCC(F)(F)F)CC2CC2)[nH]c2scc(-c3ccco3)c21 ZINC000177168927 823389610 /nfs/dbraw/zinc/38/96/10/823389610.db2.gz XHQFWXRYQZNBHV-UHFFFAOYSA-N 1 2 397.422 4.409 20 0 GIADLO CCc1c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1ccccc1Cl ZINC000189340875 823396985 /nfs/dbraw/zinc/39/69/85/823396985.db2.gz IMZNJLZVRHSRLW-YWZLYKJASA-N 1 2 397.910 4.008 20 0 GIADLO NC(Cc1ccccc1Cl)=[NH+]OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000058498031 823400286 /nfs/dbraw/zinc/40/02/86/823400286.db2.gz OLGLSVNJMIPYDI-UHFFFAOYSA-N 1 2 399.850 4.125 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCc2ccc(C(F)(F)F)cc2)c1C ZINC000058514445 823402635 /nfs/dbraw/zinc/40/26/35/823402635.db2.gz ITIBJEBWLDSADH-UHFFFAOYSA-N 1 2 395.425 4.110 20 0 GIADLO CC(C)C1(c2ccccc2)CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000572820704 823405325 /nfs/dbraw/zinc/40/53/25/823405325.db2.gz SLURJDQMCCFSDP-UHFFFAOYSA-N 1 2 388.515 4.051 20 0 GIADLO Cc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C(F)(F)F ZINC000058536472 823405785 /nfs/dbraw/zinc/40/57/85/823405785.db2.gz AJUQEOSJXPUMFI-UHFFFAOYSA-N 1 2 378.398 4.199 20 0 GIADLO CSc1ccccc1[C@@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000410177169 823411742 /nfs/dbraw/zinc/41/17/42/823411742.db2.gz BWAFFPYKWGJNDX-OAHLLOKOSA-N 1 2 375.563 4.058 20 0 GIADLO O=C(NCC1(c2ccc(F)cc2)CCCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000572868449 823411919 /nfs/dbraw/zinc/41/19/19/823411919.db2.gz JUSCGVUIBFWQJJ-UHFFFAOYSA-N 1 2 393.466 4.099 20 0 GIADLO Fc1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccnc(OC(F)F)c3)no2)cc1 ZINC000410181649 823412929 /nfs/dbraw/zinc/41/29/29/823412929.db2.gz SUWQCSGQYTUJCB-OAHLLOKOSA-N 1 2 390.365 4.209 20 0 GIADLO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccnc(OC(F)F)c3)no2)cc1 ZINC000410181649 823412932 /nfs/dbraw/zinc/41/29/32/823412932.db2.gz SUWQCSGQYTUJCB-OAHLLOKOSA-N 1 2 390.365 4.209 20 0 GIADLO O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410188582 823414633 /nfs/dbraw/zinc/41/46/33/823414633.db2.gz GYQPBNMPMNZJLE-UHFFFAOYSA-N 1 2 393.340 4.264 20 0 GIADLO CC(C)c1c(C(=O)NCc2ccn3cc[nH+]c3c2)cnn1-c1ccccc1Cl ZINC000189443703 823417497 /nfs/dbraw/zinc/41/74/97/823417497.db2.gz BCPFONUQIHCOFX-UHFFFAOYSA-N 1 2 393.878 4.227 20 0 GIADLO C[C@@H](c1ccco1)N(C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000122824277 823418586 /nfs/dbraw/zinc/41/85/86/823418586.db2.gz IEQJEFILICJYCR-KRWDZBQOSA-N 1 2 396.535 4.250 20 0 GIADLO COc1cccc(C2(F)CCN(C(=O)c3cc(C)ccc3-n3cc[nH+]c3)CC2)c1 ZINC000410225734 823425079 /nfs/dbraw/zinc/42/50/79/823425079.db2.gz BEDFMSIQZQNAFG-UHFFFAOYSA-N 1 2 393.462 4.290 20 0 GIADLO O=C(CSCc1cccc(Cl)c1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024747940 819872573 /nfs/dbraw/zinc/87/25/73/819872573.db2.gz XWOFODOEEZLUGY-UHFFFAOYSA-N 1 2 385.920 4.134 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C2SCCS2)cc1 ZINC000024747984 819872889 /nfs/dbraw/zinc/87/28/89/819872889.db2.gz ISMIJCPLQFNXHA-UHFFFAOYSA-N 1 2 395.553 4.340 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1(c2cccc(F)c2)CCCC1 ZINC000024752317 819873523 /nfs/dbraw/zinc/87/35/23/819873523.db2.gz JODDKYWISUNYJA-UHFFFAOYSA-N 1 2 377.463 4.199 20 0 GIADLO CCCCCOc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000024754034 819873833 /nfs/dbraw/zinc/87/38/33/819873833.db2.gz ZPTSYJBKNZPWEW-UHFFFAOYSA-N 1 2 377.488 4.430 20 0 GIADLO Cc1ccccc1OCCCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410255604 823436066 /nfs/dbraw/zinc/43/60/66/823436066.db2.gz IONHKNDNYBEZDS-IBGZPJMESA-N 1 2 381.520 4.093 20 0 GIADLO O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410257732 823436952 /nfs/dbraw/zinc/43/69/52/823436952.db2.gz SASOPKIHQQGYOX-NHCUHLMSSA-N 1 2 393.531 4.133 20 0 GIADLO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025056082 819916555 /nfs/dbraw/zinc/91/65/55/819916555.db2.gz SNRLFWSXPWETML-KRWDZBQOSA-N 1 2 380.488 4.007 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000025061545 819918604 /nfs/dbraw/zinc/91/86/04/819918604.db2.gz AYUDRLLMTGJBLN-GOSISDBHSA-N 1 2 394.515 4.234 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2cccc(C(F)(F)F)n2)no1 ZINC000573044098 823439046 /nfs/dbraw/zinc/43/90/46/823439046.db2.gz KMENUYHUGFLPRR-UHFFFAOYSA-N 1 2 395.291 4.135 20 0 GIADLO Cc1cn2cc(NC(=O)NC[C@@H](Cc3ccccc3)C(F)(F)F)ccc2[nH+]1 ZINC000573048047 823439839 /nfs/dbraw/zinc/43/98/39/823439839.db2.gz MGQRVRRMJGOJRY-OAHLLOKOSA-N 1 2 376.382 4.185 20 0 GIADLO O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410265138 823440060 /nfs/dbraw/zinc/44/00/60/823440060.db2.gz MAZAKLCVJMERAY-OAHLLOKOSA-N 1 2 397.906 4.055 20 0 GIADLO C[NH+](C)[C@H](CNC(=O)c1ccccc1C(=O)c1ccccc1)c1ccsc1 ZINC000025331930 819964645 /nfs/dbraw/zinc/96/46/45/819964645.db2.gz JXAHIFWASPZCRV-HXUWFJFHSA-N 1 2 378.497 4.012 20 0 GIADLO CC(C)(C)O[C@@H](C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410270773 823443222 /nfs/dbraw/zinc/44/32/22/823443222.db2.gz RWOYCPCAZFPONV-TZIWHRDSSA-N 1 2 395.547 4.482 20 0 GIADLO O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410272220 823443608 /nfs/dbraw/zinc/44/36/08/823443608.db2.gz WQZOPKMNTWUNGI-DJIMGWMZSA-N 1 2 383.458 4.294 20 0 GIADLO COc1ccc(OC)c(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000025498753 819992097 /nfs/dbraw/zinc/99/20/97/819992097.db2.gz HYZNOJXGGMEBHT-QFIPXVFZSA-N 1 2 394.446 4.313 20 0 GIADLO COc1ccc(C)cc1C[NH+]1CCN(Cc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000025641641 820010466 /nfs/dbraw/zinc/01/04/66/820010466.db2.gz VAYOQTIKTPTXIB-UHFFFAOYSA-N 1 2 391.515 4.285 20 0 GIADLO Cc1cc(CSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)on1 ZINC000025744153 820021094 /nfs/dbraw/zinc/02/10/94/820021094.db2.gz DYSPNRPGTIIHHY-MRXNPFEDSA-N 1 2 383.521 4.403 20 0 GIADLO Fc1cc2cccnc2c(C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000025923001 820040038 /nfs/dbraw/zinc/04/00/38/820040038.db2.gz UIVVQJDLWVMPGF-UHFFFAOYSA-N 1 2 375.900 4.407 20 0 GIADLO CCCN(C)c1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410286350 823449489 /nfs/dbraw/zinc/44/94/89/823449489.db2.gz AEXQGKAFIDGPQB-IBGZPJMESA-N 1 2 380.536 4.085 20 0 GIADLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1Cl ZINC000410286332 823449543 /nfs/dbraw/zinc/44/95/43/823449543.db2.gz AAEGKAWCPZWNKA-CQSZACIVSA-N 1 2 375.875 4.340 20 0 GIADLO O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410286826 823449812 /nfs/dbraw/zinc/44/98/12/823449812.db2.gz BFSWNMNPEWPMIE-INIZCTEOSA-N 1 2 391.437 4.187 20 0 GIADLO CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026302740 820079596 /nfs/dbraw/zinc/07/95/96/820079596.db2.gz KJLFAJKHGFMPIX-UHFFFAOYSA-N 1 2 393.318 4.330 20 0 GIADLO C[C@H]1CCc2sc(C(=O)N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2C1 ZINC000410291648 823451723 /nfs/dbraw/zinc/45/17/23/823451723.db2.gz QHBTYGJKHCBGRZ-JKSUJKDBSA-N 1 2 383.561 4.426 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)cc1OC(F)F ZINC000026453548 820099446 /nfs/dbraw/zinc/09/94/46/820099446.db2.gz FHSXMZRCEHDMMC-UHFFFAOYSA-N 1 2 389.402 4.287 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)cc1OC(F)F ZINC000026453548 820099451 /nfs/dbraw/zinc/09/94/51/820099451.db2.gz FHSXMZRCEHDMMC-UHFFFAOYSA-N 1 2 389.402 4.287 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2cccc(CC)c2)ccc1OC(F)F ZINC000026454221 820100163 /nfs/dbraw/zinc/10/01/63/820100163.db2.gz ZXKKMHQFBZDQBY-UHFFFAOYSA-N 1 2 392.446 4.320 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2cccc(CC)c2)ccc1OC(F)F ZINC000026454221 820100170 /nfs/dbraw/zinc/10/01/70/820100170.db2.gz ZXKKMHQFBZDQBY-UHFFFAOYSA-N 1 2 392.446 4.320 20 0 GIADLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000177414203 823456424 /nfs/dbraw/zinc/45/64/24/823456424.db2.gz WUCPKMLCWVXVTD-ACJLOTCBSA-N 1 2 385.851 4.030 20 0 GIADLO Cc1c(F)ccc(Cl)c1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410309228 823459109 /nfs/dbraw/zinc/45/91/09/823459109.db2.gz RUYLYKZOHYGLNB-AWEZNQCLSA-N 1 2 375.875 4.340 20 0 GIADLO O=C(CCSc1ccccc1F)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410312775 823460010 /nfs/dbraw/zinc/46/00/10/823460010.db2.gz WFXXAWQHUVZWCF-UHFFFAOYSA-N 1 2 387.524 4.400 20 0 GIADLO COc1cc(C)c(C[N@H+](C)Cn2ccn(Cc3ccccc3)c2=S)cc1OC ZINC000027530229 820255869 /nfs/dbraw/zinc/25/58/69/820255869.db2.gz JMNBXCJXZLWSIO-UHFFFAOYSA-N 1 2 397.544 4.483 20 0 GIADLO COc1cc(C)c(C[N@@H+](C)Cn2ccn(Cc3ccccc3)c2=S)cc1OC ZINC000027530229 820255878 /nfs/dbraw/zinc/25/58/78/820255878.db2.gz JMNBXCJXZLWSIO-UHFFFAOYSA-N 1 2 397.544 4.483 20 0 GIADLO COC(=O)[C@H](c1ccsc1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000410342771 823468158 /nfs/dbraw/zinc/46/81/58/823468158.db2.gz BKNIVINHZCHRGU-IBGZPJMESA-N 1 2 387.480 4.056 20 0 GIADLO COC(=O)[C@H](c1ccsc1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000410342771 823468163 /nfs/dbraw/zinc/46/81/63/823468163.db2.gz BKNIVINHZCHRGU-IBGZPJMESA-N 1 2 387.480 4.056 20 0 GIADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000028623544 820346335 /nfs/dbraw/zinc/34/63/35/820346335.db2.gz UFSXEFJNYUJSFY-UHFFFAOYSA-N 1 2 391.515 4.060 20 0 GIADLO COc1ccc(Cl)cc1CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000028684842 820351318 /nfs/dbraw/zinc/35/13/18/820351318.db2.gz LAWWLQGPKLYIKK-ZDUSSCGKSA-N 1 2 393.940 4.218 20 0 GIADLO COc1ccc(Cl)cc1CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000028684842 820351331 /nfs/dbraw/zinc/35/13/31/820351331.db2.gz LAWWLQGPKLYIKK-ZDUSSCGKSA-N 1 2 393.940 4.218 20 0 GIADLO Cc1nc(-c2ccccc2)sc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000028791137 820358239 /nfs/dbraw/zinc/35/82/39/820358239.db2.gz SNEUCZAIQKXBPS-UHFFFAOYSA-N 1 2 391.540 4.119 20 0 GIADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC000029045735 820386415 /nfs/dbraw/zinc/38/64/15/820386415.db2.gz WQMIVLIUIRWBTC-UHFFFAOYSA-N 1 2 395.890 4.261 20 0 GIADLO C[N@H+](CCn1cc(Br)cn1)Cc1csc(C2CCCCC2)n1 ZINC000573283983 823475423 /nfs/dbraw/zinc/47/54/23/823475423.db2.gz IAFXYWXVJUZYFE-UHFFFAOYSA-N 1 2 383.359 4.282 20 0 GIADLO C[N@@H+](CCn1cc(Br)cn1)Cc1csc(C2CCCCC2)n1 ZINC000573283983 823475425 /nfs/dbraw/zinc/47/54/25/823475425.db2.gz IAFXYWXVJUZYFE-UHFFFAOYSA-N 1 2 383.359 4.282 20 0 GIADLO C[N@@H+]1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)[C@@H](c2ccccc2)C1 ZINC000029091618 820391667 /nfs/dbraw/zinc/39/16/67/820391667.db2.gz CDLFRYZSQUVYCY-LJQANCHMSA-N 1 2 381.863 4.124 20 0 GIADLO C[N@H+]1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)[C@@H](c2ccccc2)C1 ZINC000029091618 820391675 /nfs/dbraw/zinc/39/16/75/820391675.db2.gz CDLFRYZSQUVYCY-LJQANCHMSA-N 1 2 381.863 4.124 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccccc2OCc2cscn2)c1C ZINC000058956970 823475934 /nfs/dbraw/zinc/47/59/34/823475934.db2.gz BJSQIBHIWBMGLT-UHFFFAOYSA-N 1 2 397.500 4.015 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1C(C)C ZINC000123201400 823478019 /nfs/dbraw/zinc/47/80/19/823478019.db2.gz QKCIFELDQDETQS-UHFFFAOYSA-N 1 2 399.510 4.136 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1C(C)C ZINC000123201400 823478024 /nfs/dbraw/zinc/47/80/24/823478024.db2.gz QKCIFELDQDETQS-UHFFFAOYSA-N 1 2 399.510 4.136 20 0 GIADLO COc1ccc(/C=C/C(=O)N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)cc1 ZINC000029363371 820443762 /nfs/dbraw/zinc/44/37/62/820443762.db2.gz MJZLZNVKKMOLQJ-XLNAKTSKSA-N 1 2 384.907 4.267 20 0 GIADLO Cc1cccc([C@@H](CNc2ncnc3c4ccccc4oc32)[NH+]2CCOCC2)c1 ZINC000029626598 820487519 /nfs/dbraw/zinc/48/75/19/820487519.db2.gz NSUWSCWZKSTXCV-LJQANCHMSA-N 1 2 388.471 4.170 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc(C)c3)no2)c1 ZINC000029705493 820501797 /nfs/dbraw/zinc/50/17/97/820501797.db2.gz YUGOBHLVPMZQAG-LJQANCHMSA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(-c3cccc(C)c3)no2)c1 ZINC000029705493 820501802 /nfs/dbraw/zinc/50/18/02/820501802.db2.gz YUGOBHLVPMZQAG-LJQANCHMSA-N 1 2 379.460 4.399 20 0 GIADLO NC(=O)CC[N@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)Cc1ccccc1 ZINC000029710137 820503340 /nfs/dbraw/zinc/50/33/40/820503340.db2.gz HVSRBCHTMAAFAM-UHFFFAOYSA-N 1 2 399.947 4.265 20 0 GIADLO NC(=O)CC[N@@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)Cc1ccccc1 ZINC000029710137 820503348 /nfs/dbraw/zinc/50/33/48/820503348.db2.gz HVSRBCHTMAAFAM-UHFFFAOYSA-N 1 2 399.947 4.265 20 0 GIADLO Cc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C(=O)NC4CC4)cc3)cs2)o1 ZINC000029720274 820506484 /nfs/dbraw/zinc/50/64/84/820506484.db2.gz DWJGOSJZQVAGOY-UHFFFAOYSA-N 1 2 381.501 4.236 20 0 GIADLO Cc1ccc(-c2nc(C[N@H+](C)Cc3ccc(C(=O)NC4CC4)cc3)cs2)o1 ZINC000029720274 820506490 /nfs/dbraw/zinc/50/64/90/820506490.db2.gz DWJGOSJZQVAGOY-UHFFFAOYSA-N 1 2 381.501 4.236 20 0 GIADLO c1ccc(NCCNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)[nH+]c1 ZINC000029845393 820531346 /nfs/dbraw/zinc/53/13/46/820531346.db2.gz YJEARNMRYJDSPO-UHFFFAOYSA-N 1 2 388.500 4.161 20 0 GIADLO COc1ccc(-c2csc3ncnc(NCCNc4cccc[nH+]4)c23)cc1 ZINC000029845529 820531508 /nfs/dbraw/zinc/53/15/08/820531508.db2.gz VWYZOGXETYKVHA-UHFFFAOYSA-N 1 2 377.473 4.286 20 0 GIADLO O=C(Cc1ccc(Cl)cc1Cl)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000029870730 820536673 /nfs/dbraw/zinc/53/66/73/820536673.db2.gz CXABWJAYCNSIHR-UHFFFAOYSA-N 1 2 388.298 4.140 20 0 GIADLO Cc1ccc(C(=O)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000029893122 820541819 /nfs/dbraw/zinc/54/18/19/820541819.db2.gz MSLOIYUFDOJKDH-UHFFFAOYSA-N 1 2 398.506 4.112 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccc(Br)cc1F ZINC000573403695 823488832 /nfs/dbraw/zinc/48/88/32/823488832.db2.gz ZRQDOFCZENJFMM-GFCCVEGCSA-N 1 2 389.272 4.235 20 0 GIADLO COc1ccc([C@H](C)[N@H+](C)Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000030006183 820567402 /nfs/dbraw/zinc/56/74/02/820567402.db2.gz ABVRLWUKPMVNTR-ZDUSSCGKSA-N 1 2 395.484 4.446 20 0 GIADLO COc1ccc([C@H](C)[N@@H+](C)Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000030006183 820567409 /nfs/dbraw/zinc/56/74/09/820567409.db2.gz ABVRLWUKPMVNTR-ZDUSSCGKSA-N 1 2 395.484 4.446 20 0 GIADLO COc1ccc([C@@H](C)[N@H+](C)Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000030006181 820567688 /nfs/dbraw/zinc/56/76/88/820567688.db2.gz ABVRLWUKPMVNTR-CYBMUJFWSA-N 1 2 395.484 4.446 20 0 GIADLO COc1ccc([C@@H](C)[N@@H+](C)Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000030006181 820567694 /nfs/dbraw/zinc/56/76/94/820567694.db2.gz ABVRLWUKPMVNTR-CYBMUJFWSA-N 1 2 395.484 4.446 20 0 GIADLO O=C(CCSc1ccc(Cl)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030012158 820569023 /nfs/dbraw/zinc/56/90/23/820569023.db2.gz UBAYDKSREZVBPP-UHFFFAOYSA-N 1 2 375.925 4.134 20 0 GIADLO Cc1nc(-c2ccccc2)c(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000030019486 820570394 /nfs/dbraw/zinc/57/03/94/820570394.db2.gz JNFRWUSAGZIQOH-UHFFFAOYSA-N 1 2 391.540 4.385 20 0 GIADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c(C)s1 ZINC000030125866 820577676 /nfs/dbraw/zinc/57/76/76/820577676.db2.gz PDNZSGYNISLGAW-UHFFFAOYSA-N 1 2 398.450 4.222 20 0 GIADLO COc1ccc(NC(=O)C[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cc1OC ZINC000030151060 820579987 /nfs/dbraw/zinc/57/99/87/820579987.db2.gz WTMZGYKUQVSAFT-KSSFIOAISA-N 1 2 384.476 4.023 20 0 GIADLO COc1ccc(NC(=O)C[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cc1OC ZINC000030151060 820579991 /nfs/dbraw/zinc/57/99/91/820579991.db2.gz WTMZGYKUQVSAFT-KSSFIOAISA-N 1 2 384.476 4.023 20 0 GIADLO COc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000123310110 823494554 /nfs/dbraw/zinc/49/45/54/823494554.db2.gz WSCWKZOZQKZSOX-QRQCRPRQSA-N 1 2 390.487 4.041 20 0 GIADLO Cc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1NC(=O)OC(C)(C)C ZINC000123313154 823494861 /nfs/dbraw/zinc/49/48/61/823494861.db2.gz ZJXSJEXALAIVJR-QFBILLFUSA-N 1 2 398.507 4.262 20 0 GIADLO COc1cc(C[NH2+][C@H](COCC(C)C)c2ccco2)cc(Br)c1O ZINC000177557037 823490242 /nfs/dbraw/zinc/49/02/42/823490242.db2.gz ZBXDPKUNRGIOIM-OAHLLOKOSA-N 1 2 398.297 4.260 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Br)c1)N1CCc2ccccc21 ZINC000059390606 823495032 /nfs/dbraw/zinc/49/50/32/823495032.db2.gz NERVIYOBDOBMNI-GOSISDBHSA-N 1 2 385.305 4.175 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1)N1CCc2ccccc21 ZINC000059390606 823495033 /nfs/dbraw/zinc/49/50/33/823495033.db2.gz NERVIYOBDOBMNI-GOSISDBHSA-N 1 2 385.305 4.175 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@@H](C)c3ccccc3Cl)CC2)cc1 ZINC000059424220 823496424 /nfs/dbraw/zinc/49/64/24/823496424.db2.gz RVUBZWJQMNQXOV-KRWDZBQOSA-N 1 2 398.934 4.421 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000123327817 823496923 /nfs/dbraw/zinc/49/69/23/823496923.db2.gz RALRQQWSCRGZLW-IAQYHMDHSA-N 1 2 382.689 4.022 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccc(Cl)cc1 ZINC000031005244 820719863 /nfs/dbraw/zinc/71/98/63/820719863.db2.gz AXSXUHWGKZTXCP-SFHVURJKSA-N 1 2 397.862 4.336 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccc(Cl)cc1 ZINC000031005244 820719871 /nfs/dbraw/zinc/71/98/71/820719871.db2.gz AXSXUHWGKZTXCP-SFHVURJKSA-N 1 2 397.862 4.336 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C2CCC2)n1CC(C)C ZINC000460758914 823505573 /nfs/dbraw/zinc/50/55/73/823505573.db2.gz ORYNVYNRTXJWGO-UHFFFAOYSA-N 1 2 396.583 4.340 20 0 GIADLO Cc1ccc(-c2nc(C)c(C(=O)N3CC[NH+](CCc4ccccc4)CC3)s2)o1 ZINC000031225819 820773512 /nfs/dbraw/zinc/77/35/12/820773512.db2.gz UYZNCSFXCYGRMK-UHFFFAOYSA-N 1 2 395.528 4.020 20 0 GIADLO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000123409962 823506672 /nfs/dbraw/zinc/50/66/72/823506672.db2.gz RWABENOKAPLZCI-JQWIXIFHSA-N 1 2 384.348 4.199 20 0 GIADLO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000123409962 823506674 /nfs/dbraw/zinc/50/66/74/823506674.db2.gz RWABENOKAPLZCI-JQWIXIFHSA-N 1 2 384.348 4.199 20 0 GIADLO C[C@@H]1CCC[C@@H]([NH+](CC(=O)Nc2ccccc2)CC(=O)Nc2ccccc2)C1 ZINC000031471581 820815164 /nfs/dbraw/zinc/81/51/64/820815164.db2.gz KHIRIAWHVXZKGI-WIYYLYMNSA-N 1 2 379.504 4.145 20 0 GIADLO C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000460779087 823510184 /nfs/dbraw/zinc/51/01/84/823510184.db2.gz SRLRRAJQQPLSBH-ZDUSSCGKSA-N 1 2 386.249 4.041 20 0 GIADLO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000031889218 820870444 /nfs/dbraw/zinc/87/04/44/820870444.db2.gz QZJUDYABOKFRMX-UONOGXRCSA-N 1 2 393.940 4.434 20 0 GIADLO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000031889218 820870454 /nfs/dbraw/zinc/87/04/54/820870454.db2.gz QZJUDYABOKFRMX-UONOGXRCSA-N 1 2 393.940 4.434 20 0 GIADLO Cc1ccccc1OCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895420 820871363 /nfs/dbraw/zinc/87/13/63/820871363.db2.gz LKTHKVBKWCACHB-SFHVURJKSA-N 1 2 390.886 4.120 20 0 GIADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000031895677 820871395 /nfs/dbraw/zinc/87/13/95/820871395.db2.gz VRVTYTHMVPKPMG-QGZVFWFLSA-N 1 2 382.813 4.324 20 0 GIADLO Cc1cc(N2CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000460806893 823517779 /nfs/dbraw/zinc/51/77/79/823517779.db2.gz XYNQLYRHFINBMZ-INIZCTEOSA-N 1 2 386.927 4.014 20 0 GIADLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000060338981 823517019 /nfs/dbraw/zinc/51/70/19/823517019.db2.gz KVJLLJQBNILHLZ-KRWDZBQOSA-N 1 2 376.456 4.414 20 0 GIADLO COc1ccc(-c2nc(CN3CC[NH+](Cc4ccsc4)CC3)cs2)cc1 ZINC000032489935 820959262 /nfs/dbraw/zinc/95/92/62/820959262.db2.gz KLDQWEYMKILAIN-UHFFFAOYSA-N 1 2 385.558 4.198 20 0 GIADLO Cc1cccn2cc(CC(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)[nH+]c12 ZINC000060341514 823517263 /nfs/dbraw/zinc/51/72/63/823517263.db2.gz HNQRKSXGNRUFMR-UHFFFAOYSA-N 1 2 389.430 4.433 20 0 GIADLO CCC(CC)[C@@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)[NH+]1CCOCC1 ZINC000460808933 823518392 /nfs/dbraw/zinc/51/83/92/823518392.db2.gz KKTSDFYDTCIMSP-FQEVSTJZSA-N 1 2 387.549 4.194 20 0 GIADLO O=C([C@@H]1CCSc2ccccc21)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000460814094 823519934 /nfs/dbraw/zinc/51/99/34/823519934.db2.gz FSZOWHNUNPCFKH-DFOOEPSASA-N 1 2 378.541 4.124 20 0 GIADLO C[N@H+](Cn1ncn(CCc2ccccn2)c1=S)[C@@H]1CCCc2ccccc21 ZINC000060381868 823521964 /nfs/dbraw/zinc/52/19/64/823521964.db2.gz MQTFJDUMIMAGTB-HXUWFJFHSA-N 1 2 379.533 4.019 20 0 GIADLO C[N@@H+](Cn1ncn(CCc2ccccn2)c1=S)[C@@H]1CCCc2ccccc21 ZINC000060381868 823521969 /nfs/dbraw/zinc/52/19/69/823521969.db2.gz MQTFJDUMIMAGTB-HXUWFJFHSA-N 1 2 379.533 4.019 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000033002398 821025687 /nfs/dbraw/zinc/02/56/87/821025687.db2.gz WKERKNYNHNOGOK-UHFFFAOYSA-N 1 2 379.463 4.433 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+](CC(C)(C)O)C2CC2)cs1 ZINC000189991706 823522764 /nfs/dbraw/zinc/52/27/64/823522764.db2.gz KTXYVMFTJYJJQS-UHFFFAOYSA-N 1 2 387.549 4.125 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+](CC(C)(C)O)C2CC2)cs1 ZINC000189991706 823522767 /nfs/dbraw/zinc/52/27/67/823522767.db2.gz KTXYVMFTJYJJQS-UHFFFAOYSA-N 1 2 387.549 4.125 20 0 GIADLO CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NCCCCn3cc[nH+]c3)c12 ZINC000060407903 823524208 /nfs/dbraw/zinc/52/42/08/823524208.db2.gz LLOYRIVWGZCUIN-UHFFFAOYSA-N 1 2 395.507 4.096 20 0 GIADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000036099831 821069253 /nfs/dbraw/zinc/06/92/53/821069253.db2.gz OSEQYLOFPVMZMV-QGZVFWFLSA-N 1 2 382.813 4.324 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000177788079 823526265 /nfs/dbraw/zinc/52/62/65/823526265.db2.gz FWPVVPRFZPHALW-IBGZPJMESA-N 1 2 394.525 4.315 20 0 GIADLO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000177845429 823535362 /nfs/dbraw/zinc/53/53/62/823535362.db2.gz RIBJRVGPQZWWIO-ICSRJNTNSA-N 1 2 390.487 4.372 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)C[C@@H]1n1cc[nH+]c1 ZINC000123675946 823530863 /nfs/dbraw/zinc/53/08/63/823530863.db2.gz CLKZOZBVKZPKRB-ACJLOTCBSA-N 1 2 390.409 4.117 20 0 GIADLO Cn1ccc2cccc(NC(=O)N[C@H]3c4ccccc4CC[C@H]3n3cc[nH+]c3)c21 ZINC000190059058 823532020 /nfs/dbraw/zinc/53/20/20/823532020.db2.gz YSYNWZATILKHQI-RTWAWAEBSA-N 1 2 385.471 4.425 20 0 GIADLO CC(C)c1c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1ccc(F)cc1 ZINC000123694327 823532504 /nfs/dbraw/zinc/53/25/04/823532504.db2.gz BAWIDUBOAYMEEF-OXJNMPFZSA-N 1 2 395.482 4.055 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1C ZINC000041400602 821188854 /nfs/dbraw/zinc/18/88/54/821188854.db2.gz RXGJWGAEAHDMID-SFHVURJKSA-N 1 2 387.911 4.054 20 0 GIADLO COc1ccc(-c2cnc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)o2)cc1 ZINC000041645854 821215259 /nfs/dbraw/zinc/21/52/59/821215259.db2.gz QWANANJGZGHFMU-UHFFFAOYSA-N 1 2 383.879 4.326 20 0 GIADLO Cc1ccc(C[C@H](C)N(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000123749117 823536962 /nfs/dbraw/zinc/53/69/62/823536962.db2.gz NAFKENQQGZFLTG-IBGZPJMESA-N 1 2 376.504 4.012 20 0 GIADLO Cc1cc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)nc2ccccc12 ZINC000042063462 821259087 /nfs/dbraw/zinc/25/90/87/821259087.db2.gz VDECXIKYVWLVNG-UHFFFAOYSA-N 1 2 398.557 4.326 20 0 GIADLO CCc1nc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cs1 ZINC000042101108 821265532 /nfs/dbraw/zinc/26/55/32/821265532.db2.gz STPKYVHUWNWOFH-UHFFFAOYSA-N 1 2 385.562 4.174 20 0 GIADLO CCN(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)[C@H](C)Cc1ccsc1 ZINC000190125308 823540742 /nfs/dbraw/zinc/54/07/42/823540742.db2.gz WDXVTKGAXQQOFP-GOSISDBHSA-N 1 2 396.560 4.198 20 0 GIADLO O=C(CSCc1cccc(Cl)c1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000042160399 821276772 /nfs/dbraw/zinc/27/67/72/821276772.db2.gz YRPIJGNVIUPWDO-UHFFFAOYSA-N 1 2 381.954 4.264 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(Br)c3)cn2c1 ZINC000042470976 821307860 /nfs/dbraw/zinc/30/78/60/821307860.db2.gz MPHGZAYOBXBQMZ-UHFFFAOYSA-N 1 2 390.306 4.277 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(OC(F)(F)F)c3)cn2c1 ZINC000042469761 821308106 /nfs/dbraw/zinc/30/81/06/821308106.db2.gz HHSYPRWPUXSVBQ-UHFFFAOYSA-N 1 2 395.406 4.413 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)Nc1ccccc1Br ZINC000043133144 821364944 /nfs/dbraw/zinc/36/49/44/821364944.db2.gz AGZQAEUFCQJOOY-UHFFFAOYSA-N 1 2 399.292 4.058 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000043150150 821369264 /nfs/dbraw/zinc/36/92/64/821369264.db2.gz QZMQMPKZPPYFAD-UHFFFAOYSA-N 1 2 381.520 4.360 20 0 GIADLO CC(C)(C)C[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C(F)(F)F ZINC000180625068 821373739 /nfs/dbraw/zinc/37/37/39/821373739.db2.gz KLLSJEJYAZRJAM-INIZCTEOSA-N 1 2 396.457 4.140 20 0 GIADLO COc1ccc(O[C@H](C)C[NH2+][C@H](c2nccn2C)c2ccccc2Cl)cc1 ZINC000180648991 821382141 /nfs/dbraw/zinc/38/21/41/821382141.db2.gz DVFCNAXDHAVRFY-QRWLVFNGSA-N 1 2 385.895 4.229 20 0 GIADLO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000180669016 821389120 /nfs/dbraw/zinc/38/91/20/821389120.db2.gz JKPNYHQFPBNCOH-GJZGRUSLSA-N 1 2 378.480 4.008 20 0 GIADLO CC[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1OC ZINC000043500667 821419260 /nfs/dbraw/zinc/41/92/60/821419260.db2.gz XOUCXYOOPNQMDM-KRWDZBQOSA-N 1 2 388.537 4.410 20 0 GIADLO C[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(F)cc1F ZINC000043517605 821421373 /nfs/dbraw/zinc/42/13/73/821421373.db2.gz KQUJYURTHWTKPX-GFCCVEGCSA-N 1 2 380.464 4.290 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@H](C(F)(F)F)C3)n2)C1 ZINC000043547416 821424645 /nfs/dbraw/zinc/42/46/45/821424645.db2.gz IIKZYYGTYZEBBT-OLZOCXBDSA-N 1 2 390.475 4.181 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@H](C(F)(F)F)C3)n2)C1 ZINC000043547416 821424651 /nfs/dbraw/zinc/42/46/51/821424651.db2.gz IIKZYYGTYZEBBT-OLZOCXBDSA-N 1 2 390.475 4.181 20 0 GIADLO C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1nc2ccccc2[nH]1 ZINC000043547062 821424715 /nfs/dbraw/zinc/42/47/15/821424715.db2.gz KZMUMBYTOINNHW-KBPBESRZSA-N 1 2 398.536 4.134 20 0 GIADLO C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1nc2ccccc2[nH]1 ZINC000043547062 821424719 /nfs/dbraw/zinc/42/47/19/821424719.db2.gz KZMUMBYTOINNHW-KBPBESRZSA-N 1 2 398.536 4.134 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000043643417 821435084 /nfs/dbraw/zinc/43/50/84/821435084.db2.gz KFNVJFCPBHPCHP-CYBMUJFWSA-N 1 2 378.394 4.367 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000043643417 821435089 /nfs/dbraw/zinc/43/50/89/821435089.db2.gz KFNVJFCPBHPCHP-CYBMUJFWSA-N 1 2 378.394 4.367 20 0 GIADLO C[C@@H](CCc1ccco1)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043725482 821447653 /nfs/dbraw/zinc/44/76/53/821447653.db2.gz IREOYKQBVVHUFH-OKZBNKHCSA-N 1 2 385.508 4.032 20 0 GIADLO C[C@@H](CCc1ccco1)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043725482 821447659 /nfs/dbraw/zinc/44/76/59/821447659.db2.gz IREOYKQBVVHUFH-OKZBNKHCSA-N 1 2 385.508 4.032 20 0 GIADLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC000180775012 821448430 /nfs/dbraw/zinc/44/84/30/821448430.db2.gz KPDDTVZFUYVSPI-IBGZPJMESA-N 1 2 381.394 4.296 20 0 GIADLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC000180775012 821448431 /nfs/dbraw/zinc/44/84/31/821448431.db2.gz KPDDTVZFUYVSPI-IBGZPJMESA-N 1 2 381.394 4.296 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCSc2ccccc2)C[C@@H](C)O1 ZINC000043862273 821475556 /nfs/dbraw/zinc/47/55/56/821475556.db2.gz KHUSTJDHLTZNTA-QZTJIDSGSA-N 1 2 399.560 4.210 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000043888262 821484527 /nfs/dbraw/zinc/48/45/27/821484527.db2.gz JEKYHKHSTYMTNA-LJQANCHMSA-N 1 2 384.480 4.173 20 0 GIADLO C[C@@H](c1nnc(SC[C@H]2CCCCO2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000043940152 821492261 /nfs/dbraw/zinc/49/22/61/821492261.db2.gz WVSXHJKFOAQJFF-PKOBYXMFSA-N 1 2 386.565 4.475 20 0 GIADLO CCOc1ccc([C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)c2ccccc2Cl)cc1 ZINC000180893803 821519769 /nfs/dbraw/zinc/51/97/69/821519769.db2.gz KJDHHACQQQEXIF-FOIQADDNSA-N 1 2 395.952 4.241 20 0 GIADLO O=C(NCCn1cc[nH+]c1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000044326645 821570087 /nfs/dbraw/zinc/57/00/87/821570087.db2.gz RIDLVENCULGIQK-UHFFFAOYSA-N 1 2 377.341 4.138 20 0 GIADLO Cc1ccc(-n2cc(C(=O)Nc3ccc(-c4[nH+]cc5n4CCCC5)cc3)nn2)cc1 ZINC000044569035 821610880 /nfs/dbraw/zinc/61/08/80/821610880.db2.gz UPLKSEVLALQQIO-UHFFFAOYSA-N 1 2 398.470 4.028 20 0 GIADLO COc1cc(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccc1C ZINC000044568657 821610973 /nfs/dbraw/zinc/61/09/73/821610973.db2.gz IERFYSZSRABLTQ-UHFFFAOYSA-N 1 2 375.472 4.385 20 0 GIADLO NC(=O)c1ccc(C[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 ZINC000044595671 821617298 /nfs/dbraw/zinc/61/72/98/821617298.db2.gz RBNVDVBTAOEHCV-UHFFFAOYSA-N 1 2 381.863 4.259 20 0 GIADLO NC(=O)c1ccc(C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 ZINC000044595671 821617300 /nfs/dbraw/zinc/61/73/00/821617300.db2.gz RBNVDVBTAOEHCV-UHFFFAOYSA-N 1 2 381.863 4.259 20 0 GIADLO O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000181118348 821643546 /nfs/dbraw/zinc/64/35/46/821643546.db2.gz HGJNBVGJRRPXIA-MRXNPFEDSA-N 1 2 381.476 4.052 20 0 GIADLO O=C(NCC(c1ccccc1)c1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044835644 821670246 /nfs/dbraw/zinc/67/02/46/821670246.db2.gz AGSQBZYYUQYALL-UHFFFAOYSA-N 1 2 381.479 4.493 20 0 GIADLO CCc1noc([C@@H](C)Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000044871497 821675131 /nfs/dbraw/zinc/67/51/31/821675131.db2.gz RYUIFVFWJWPZHE-OAHLLOKOSA-N 1 2 398.536 4.052 20 0 GIADLO Cc1nc(-c2ccc(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)cs1 ZINC000044974072 821684933 /nfs/dbraw/zinc/68/49/33/821684933.db2.gz IUHRZAYKZYDLCO-UHFFFAOYSA-N 1 2 388.496 4.293 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1c(F)cccc1Cl ZINC000181211607 821699610 /nfs/dbraw/zinc/69/96/10/821699610.db2.gz CFNJRSLIWDKVQU-QWHCGFSZSA-N 1 2 384.904 4.141 20 0 GIADLO Fc1ccc(OCc2noc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181233155 821710444 /nfs/dbraw/zinc/71/04/44/821710444.db2.gz UPLYHVNPISLGMI-OXQOHEQNSA-N 1 2 397.450 4.045 20 0 GIADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(-c3ccc(Br)cc3)[nH]1)CC2 ZINC000181277883 821731017 /nfs/dbraw/zinc/73/10/17/821731017.db2.gz QAHKEVPNXXSSRM-MRXNPFEDSA-N 1 2 387.256 4.150 20 0 GIADLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181282547 821733826 /nfs/dbraw/zinc/73/38/26/821733826.db2.gz ITZXNRYTFIGSSC-CYBMUJFWSA-N 1 2 398.850 4.197 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nc(Cc2ccccc2)no1)c1ccc(N2CCOC2=O)cc1 ZINC000181295264 821740936 /nfs/dbraw/zinc/74/09/36/821740936.db2.gz JUXRPDHYJGRWNG-CVEARBPZSA-N 1 2 392.459 4.029 20 0 GIADLO COc1cc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cc(OC)c1OC ZINC000181314407 821752672 /nfs/dbraw/zinc/75/26/72/821752672.db2.gz CQIMLYRAIZYYAR-ZDUSSCGKSA-N 1 2 385.489 4.082 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccccc2)no1 ZINC000181339653 821770965 /nfs/dbraw/zinc/77/09/65/821770965.db2.gz XDFJAMDFQFSPBX-JKSUJKDBSA-N 1 2 376.460 4.275 20 0 GIADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181370921 821792396 /nfs/dbraw/zinc/79/23/96/821792396.db2.gz GMBSMSYIMMCOIB-SJORKVTESA-N 1 2 396.293 4.481 20 0 GIADLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccnc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181370921 821792401 /nfs/dbraw/zinc/79/24/01/821792401.db2.gz GMBSMSYIMMCOIB-SJORKVTESA-N 1 2 396.293 4.481 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C)CCc2ccncc2)cs1)c1ccccc1F ZINC000181484347 821847045 /nfs/dbraw/zinc/84/70/45/821847045.db2.gz RMZSWWDFZVQZRM-UHFFFAOYSA-N 1 2 384.480 4.036 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C)CCc2ccncc2)cs1)c1ccccc1F ZINC000181484347 821847047 /nfs/dbraw/zinc/84/70/47/821847047.db2.gz RMZSWWDFZVQZRM-UHFFFAOYSA-N 1 2 384.480 4.036 20 0 GIADLO CC(C)c1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)n2)cc1 ZINC000181525538 821866849 /nfs/dbraw/zinc/86/68/49/821866849.db2.gz LJIASNHOPXJCTE-INIZCTEOSA-N 1 2 388.475 4.292 20 0 GIADLO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@H](C)c3cccc(O)c3)cs2)cc1 ZINC000181547283 821875938 /nfs/dbraw/zinc/87/59/38/821875938.db2.gz TZRVRJCSNYWEIY-OAHLLOKOSA-N 1 2 381.501 4.189 20 0 GIADLO COc1ccc(NC(=O)[C@@H]([NH2+][C@H](C)c2cccc(O)c2)c2ccccc2)cc1 ZINC000181552043 821878025 /nfs/dbraw/zinc/87/80/25/821878025.db2.gz YNGVUAKAGFMOIC-ZHRRBRCNSA-N 1 2 376.456 4.431 20 0 GIADLO O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181580088 821887997 /nfs/dbraw/zinc/88/79/97/821887997.db2.gz YIHFFCPMASXDNN-MRXNPFEDSA-N 1 2 381.304 4.184 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000181682102 821942066 /nfs/dbraw/zinc/94/20/66/821942066.db2.gz MCNRZCSEZQFFNP-INIZCTEOSA-N 1 2 389.503 4.186 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(C)cc1 ZINC000181706895 821952408 /nfs/dbraw/zinc/95/24/08/821952408.db2.gz MSFPAQMUCARVDG-IAGOWNOFSA-N 1 2 379.273 4.164 20 0 GIADLO C[C@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1cccc(N2CCCC2)c1 ZINC000181891154 822028122 /nfs/dbraw/zinc/02/81/22/822028122.db2.gz MCFFOTOOAGDISF-SFHVURJKSA-N 1 2 376.504 4.306 20 0 GIADLO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000181980756 822051886 /nfs/dbraw/zinc/05/18/86/822051886.db2.gz PPTDTEVJGUEVGJ-MGPUTAFESA-N 1 2 389.496 4.061 20 0 GIADLO CC[N@H+](CCC(=O)c1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000181989511 822055137 /nfs/dbraw/zinc/05/51/37/822055137.db2.gz GLQQEWFNDFFYPE-UHFFFAOYSA-N 1 2 378.394 4.239 20 0 GIADLO CC[N@@H+](CCC(=O)c1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000181989511 822055145 /nfs/dbraw/zinc/05/51/45/822055145.db2.gz GLQQEWFNDFFYPE-UHFFFAOYSA-N 1 2 378.394 4.239 20 0 GIADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000182193054 822140264 /nfs/dbraw/zinc/14/02/64/822140264.db2.gz MUZUAXFOCBMBPX-CHWSQXEVSA-N 1 2 389.439 4.219 20 0 GIADLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000182193054 822140268 /nfs/dbraw/zinc/14/02/68/822140268.db2.gz MUZUAXFOCBMBPX-CHWSQXEVSA-N 1 2 389.439 4.219 20 0 GIADLO COc1ccc([C@H](CCO)[NH2+]Cc2csc(Nc3ccccc3C)n2)cc1 ZINC000182393312 822227412 /nfs/dbraw/zinc/22/74/12/822227412.db2.gz BACCDDANAUULJV-FQEVSTJZSA-N 1 2 383.517 4.417 20 0 GIADLO CCOC(=O)c1ccc(C[NH2+]C(c2cccc(OC)c2)c2cccc(OC)c2)o1 ZINC000182527354 822284615 /nfs/dbraw/zinc/28/46/15/822284615.db2.gz SNWNDXUSPDONJJ-UHFFFAOYSA-N 1 2 395.455 4.353 20 0 GIADLO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182545353 822294485 /nfs/dbraw/zinc/29/44/85/822294485.db2.gz CSBZPRYBOLVXAQ-QAPCUYQASA-N 1 2 378.501 4.168 20 0 GIADLO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182545353 822294491 /nfs/dbraw/zinc/29/44/91/822294491.db2.gz CSBZPRYBOLVXAQ-QAPCUYQASA-N 1 2 378.501 4.168 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000182556651 822300809 /nfs/dbraw/zinc/30/08/09/822300809.db2.gz GJLAPGSKTRCYCX-IINYFYTJSA-N 1 2 399.239 4.039 20 0 GIADLO COc1ccc([C@H]([NH2+][C@@H](C)c2ccoc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000178123785 822326553 /nfs/dbraw/zinc/32/65/53/822326553.db2.gz KGUFMSHOCBGNDT-BTYIYWSLSA-N 1 2 385.485 4.132 20 0 GIADLO Cc1nc(CC(C)C)c(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000178174333 822342065 /nfs/dbraw/zinc/34/20/65/822342065.db2.gz PJFNRIJIOUPRTI-UHFFFAOYSA-N 1 2 383.521 4.217 20 0 GIADLO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3nnnn3-c3c(C)cccc3C)oc21 ZINC000182662529 822343238 /nfs/dbraw/zinc/34/32/38/822343238.db2.gz IBYAXMQHIVBUGG-MRXNPFEDSA-N 1 2 391.475 4.275 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2sc(C)nc2CC(C)C)c1C ZINC000178180180 822344422 /nfs/dbraw/zinc/34/44/22/822344422.db2.gz GPNVOGZKKBTFEP-UHFFFAOYSA-N 1 2 376.526 4.334 20 0 GIADLO O=C(NCCc1c[nH]c2ccccc12)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178255832 822359384 /nfs/dbraw/zinc/35/93/84/822359384.db2.gz SBFFJWXWMRAKAQ-GOTSBHOMSA-N 1 2 399.498 4.135 20 0 GIADLO CCOc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1OCC ZINC000045053219 822359859 /nfs/dbraw/zinc/35/98/59/822359859.db2.gz DWPDROUBOZWACM-MRXNPFEDSA-N 1 2 379.460 4.161 20 0 GIADLO O=C(N[C@@H]1CCc2cc(F)ccc21)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178331435 822367790 /nfs/dbraw/zinc/36/77/90/822367790.db2.gz BCOOGSJIOIELPE-FSSWDIPSSA-N 1 2 390.462 4.238 20 0 GIADLO Cc1cc(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1F ZINC000045346244 822380252 /nfs/dbraw/zinc/38/02/52/822380252.db2.gz SGMUJIFHSMBLAU-IRXDYDNUSA-N 1 2 385.483 4.065 20 0 GIADLO COc1cc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)ccc1SC(F)F ZINC000182871346 822383246 /nfs/dbraw/zinc/38/32/46/822383246.db2.gz OGEAUIIKODTEPH-CYBMUJFWSA-N 1 2 395.475 4.415 20 0 GIADLO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)o1 ZINC000453570592 822386017 /nfs/dbraw/zinc/38/60/17/822386017.db2.gz CTCQOVRHMIDRDN-AWEZNQCLSA-N 1 2 399.491 4.197 20 0 GIADLO Cc1c(F)cccc1-c1ccc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)o1 ZINC000453570592 822386021 /nfs/dbraw/zinc/38/60/21/822386021.db2.gz CTCQOVRHMIDRDN-AWEZNQCLSA-N 1 2 399.491 4.197 20 0 GIADLO CN(Cc1csc2ccccc12)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045491073 822390565 /nfs/dbraw/zinc/39/05/65/822390565.db2.gz BRIDAFHCXIJASQ-UHFFFAOYSA-N 1 2 380.517 4.238 20 0 GIADLO O=C(c1ccccc1Cl)N1CCC(Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000182910401 822391051 /nfs/dbraw/zinc/39/10/51/822391051.db2.gz QVVXYMOAYMMEGS-UHFFFAOYSA-N 1 2 398.869 4.382 20 0 GIADLO CCCn1nc(C)c(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)c1C ZINC000453605073 822391686 /nfs/dbraw/zinc/39/16/86/822391686.db2.gz AZEAKBCIENYUST-GOSISDBHSA-N 1 2 377.330 4.405 20 0 GIADLO CCCn1nc(C)c(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)c1C ZINC000453605073 822391689 /nfs/dbraw/zinc/39/16/89/822391689.db2.gz AZEAKBCIENYUST-GOSISDBHSA-N 1 2 377.330 4.405 20 0 GIADLO COCCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000453616014 822393674 /nfs/dbraw/zinc/39/36/74/822393674.db2.gz RPBOQBURDAEXDP-IBGZPJMESA-N 1 2 391.309 4.206 20 0 GIADLO COCCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000453616014 822393678 /nfs/dbraw/zinc/39/36/78/822393678.db2.gz RPBOQBURDAEXDP-IBGZPJMESA-N 1 2 391.309 4.206 20 0 GIADLO Cc1ccc([C@@H](C)N(C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000045531798 822393989 /nfs/dbraw/zinc/39/39/89/822393989.db2.gz LOUJJEAEPAOEBG-LJQANCHMSA-N 1 2 376.504 4.185 20 0 GIADLO CCCN(Cc1ccccc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532370 822394127 /nfs/dbraw/zinc/39/41/27/822394127.db2.gz UXAKFJPXZMLWTI-UHFFFAOYSA-N 1 2 376.504 4.096 20 0 GIADLO COc1cccc([C@H](O)C[N@H+](Cc2ccccc2)Cc2cccnc2Cl)c1 ZINC000178618983 822396689 /nfs/dbraw/zinc/39/66/89/822396689.db2.gz OPUMVOPAEAINBD-OAQYLSRUSA-N 1 2 382.891 4.479 20 0 GIADLO COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cccnc2Cl)c1 ZINC000178618983 822396694 /nfs/dbraw/zinc/39/66/94/822396694.db2.gz OPUMVOPAEAINBD-OAQYLSRUSA-N 1 2 382.891 4.479 20 0 GIADLO CC[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)c1ccccc1OCC(=O)N(C)C ZINC000182956318 822399662 /nfs/dbraw/zinc/39/96/62/822399662.db2.gz NXILIQFDQQMHSZ-FQEVSTJZSA-N 1 2 381.520 4.099 20 0 GIADLO CC[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)c1ccccc1OCC(=O)N(C)C ZINC000182956318 822399664 /nfs/dbraw/zinc/39/96/64/822399664.db2.gz NXILIQFDQQMHSZ-FQEVSTJZSA-N 1 2 381.520 4.099 20 0 GIADLO CC(C)[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000045606349 822399685 /nfs/dbraw/zinc/39/96/85/822399685.db2.gz MBDRGRSIAJOLJV-OAQYLSRUSA-N 1 2 380.467 4.267 20 0 GIADLO C[C@H](Nc1cccc(C(=O)NCc2ccccn2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182992445 822407123 /nfs/dbraw/zinc/40/71/23/822407123.db2.gz XGWSTEYYVHUODX-SFHVURJKSA-N 1 2 397.482 4.370 20 0 GIADLO CC[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1OC(F)F ZINC000045736947 822409752 /nfs/dbraw/zinc/40/97/52/822409752.db2.gz GIVCIKMGAIVLHW-SFHVURJKSA-N 1 2 385.414 4.414 20 0 GIADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178801699 822411723 /nfs/dbraw/zinc/41/17/23/822411723.db2.gz BQPSTJGJJRSAFP-HGRMPGJJSA-N 1 2 386.561 4.397 20 0 GIADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178801699 822411726 /nfs/dbraw/zinc/41/17/26/822411726.db2.gz BQPSTJGJJRSAFP-HGRMPGJJSA-N 1 2 386.561 4.397 20 0 GIADLO CCCCOc1cccc(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000045884403 822421755 /nfs/dbraw/zinc/42/17/55/822421755.db2.gz QSEAXEFVILPEIA-UHFFFAOYSA-N 1 2 392.503 4.110 20 0 GIADLO CC[C@H](CSc1ccccc1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000178967730 822425249 /nfs/dbraw/zinc/42/52/49/822425249.db2.gz NZRSIBJRPIGLPK-HXUWFJFHSA-N 1 2 394.544 4.302 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000179000047 822428202 /nfs/dbraw/zinc/42/82/02/822428202.db2.gz QFOLMLIZACLFPM-PKTZIBPZSA-N 1 2 389.499 4.381 20 0 GIADLO O=C(Nc1ccc(OC(F)F)c(Cl)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045973714 822428163 /nfs/dbraw/zinc/42/81/63/822428163.db2.gz RYKJNDVBZKJUQJ-UHFFFAOYSA-N 1 2 396.825 4.127 20 0 GIADLO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000183202641 822440813 /nfs/dbraw/zinc/44/08/13/822440813.db2.gz AKNJDKRAOFLXIQ-INIZCTEOSA-N 1 2 390.466 4.060 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454228773 822441017 /nfs/dbraw/zinc/44/10/17/822441017.db2.gz VTTYFGHJRCNTCV-YJBOKZPZSA-N 1 2 394.441 4.242 20 0 GIADLO O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046118811 822442075 /nfs/dbraw/zinc/44/20/75/822442075.db2.gz QETPHSAQSHRKHW-UHFFFAOYSA-N 1 2 391.406 4.023 20 0 GIADLO Cc1ccc(-n2nc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)c3c2CCC3)cc1 ZINC000046118662 822442126 /nfs/dbraw/zinc/44/21/26/822442126.db2.gz ZZDIAAXHAUBNEX-UHFFFAOYSA-N 1 2 383.455 4.107 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000183233990 822445555 /nfs/dbraw/zinc/44/55/55/822445555.db2.gz QBUCBWVHGFVWHN-UHFFFAOYSA-N 1 2 398.400 4.454 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000183233990 822445556 /nfs/dbraw/zinc/44/55/56/822445556.db2.gz QBUCBWVHGFVWHN-UHFFFAOYSA-N 1 2 398.400 4.454 20 0 GIADLO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179165317 822446503 /nfs/dbraw/zinc/44/65/03/822446503.db2.gz CYRJYBAIRHHKNO-UHFFFAOYSA-N 1 2 395.463 4.311 20 0 GIADLO COc1cc2c(cc1C[NH2+][C@H](C)c1ncc(Br)s1)O[C@@H](C)C2 ZINC000179200709 822450056 /nfs/dbraw/zinc/45/00/56/822450056.db2.gz VOBHYKBTUGOTTA-VHSXEESVSA-N 1 2 383.311 4.088 20 0 GIADLO Cc1ccc([C@H](CN[C@@H](C)c2ncc(Br)s2)[NH+]2CCCC2)o1 ZINC000179221736 822453326 /nfs/dbraw/zinc/45/33/26/822453326.db2.gz KCHGTQWTIHVJBC-STQMWFEESA-N 1 2 384.343 4.295 20 0 GIADLO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)CCC2 ZINC000179229712 822454305 /nfs/dbraw/zinc/45/43/05/822454305.db2.gz ZRGPDZKYONKVPS-ROUUACIJSA-N 1 2 391.284 4.090 20 0 GIADLO Cc1cc2cc(C(=O)N3CCC(n4cc[nH+]c4)CC3)oc2c(Br)c1 ZINC000183353486 822462577 /nfs/dbraw/zinc/46/25/77/822462577.db2.gz OUPQOSKKGHQPRJ-UHFFFAOYSA-N 1 2 388.265 4.178 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)no2)C[C@H](C)O1 ZINC000046341038 822462976 /nfs/dbraw/zinc/46/29/76/822462976.db2.gz GQASILFZUDMJSZ-CALCHBBNSA-N 1 2 391.471 4.203 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)no2)C[C@H](C)O1 ZINC000046341038 822462979 /nfs/dbraw/zinc/46/29/79/822462979.db2.gz GQASILFZUDMJSZ-CALCHBBNSA-N 1 2 391.471 4.203 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CSc2ccc(F)cc2)C[C@H](C)O1 ZINC000046340918 822463030 /nfs/dbraw/zinc/46/30/30/822463030.db2.gz GFGYJSNNZZVXIH-HOTGVXAUSA-N 1 2 388.508 4.166 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3ccccc3n2)C[C@H](C)O1 ZINC000046341583 822463235 /nfs/dbraw/zinc/46/32/35/822463235.db2.gz NGXATQXLNHFAIH-IRXDYDNUSA-N 1 2 375.472 4.096 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(F)cc2Cl)C[C@@H](C)O1 ZINC000046343763 822463941 /nfs/dbraw/zinc/46/39/41/822463941.db2.gz HQXBKLLVKHBHLU-ZIAGYGMSSA-N 1 2 376.859 4.341 20 0 GIADLO CCCOc1cccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000046345117 822464148 /nfs/dbraw/zinc/46/41/48/822464148.db2.gz QPQVDDBQDHBVHO-QZTJIDSGSA-N 1 2 382.504 4.337 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccc(Br)c1Cl ZINC000183373494 822465490 /nfs/dbraw/zinc/46/54/90/822465490.db2.gz VLZLIAKUVVXZEI-UHFFFAOYSA-N 1 2 390.668 4.218 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454390762 822467471 /nfs/dbraw/zinc/46/74/71/822467471.db2.gz PVQXAVMSGGMZAS-HOCLYGCPSA-N 1 2 398.404 4.322 20 0 GIADLO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1ncn(-c2ccccc2)n1)c1cccs1 ZINC000179359348 822470843 /nfs/dbraw/zinc/47/08/43/822470843.db2.gz LBFWVQIUYRPVSY-MOPGFXCFSA-N 1 2 382.533 4.197 20 0 GIADLO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1ncn(-c2ccccc2)n1)c1cccs1 ZINC000179359348 822470846 /nfs/dbraw/zinc/47/08/46/822470846.db2.gz LBFWVQIUYRPVSY-MOPGFXCFSA-N 1 2 382.533 4.197 20 0 GIADLO CCOCCOc1ccc(Br)cc1C[N@H+](C)Cc1cnc(C)s1 ZINC000179383377 822474587 /nfs/dbraw/zinc/47/45/87/822474587.db2.gz CQPYUQDVGUKDJG-UHFFFAOYSA-N 1 2 399.354 4.261 20 0 GIADLO CCOCCOc1ccc(Br)cc1C[N@@H+](C)Cc1cnc(C)s1 ZINC000179383377 822474588 /nfs/dbraw/zinc/47/45/88/822474588.db2.gz CQPYUQDVGUKDJG-UHFFFAOYSA-N 1 2 399.354 4.261 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)cc1Br ZINC000046468089 822475984 /nfs/dbraw/zinc/47/59/84/822475984.db2.gz VDMNLJQAZNLZBD-CQSZACIVSA-N 1 2 383.265 4.021 20 0 GIADLO C[C@H](NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C(C)(F)F ZINC000454464609 822479834 /nfs/dbraw/zinc/47/98/34/822479834.db2.gz VXBOIFXQSZYQQI-INIZCTEOSA-N 1 2 398.457 4.441 20 0 GIADLO Cc1ncsc1C[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000179420503 822479956 /nfs/dbraw/zinc/47/99/56/822479956.db2.gz UVMJRMIJRHKEBB-UHFFFAOYSA-N 1 2 381.501 4.139 20 0 GIADLO Cc1ncsc1C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000179420503 822479957 /nfs/dbraw/zinc/47/99/57/822479957.db2.gz UVMJRMIJRHKEBB-UHFFFAOYSA-N 1 2 381.501 4.139 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000179436008 822482562 /nfs/dbraw/zinc/48/25/62/822482562.db2.gz RTZWCFKMMBSFJN-PWECECGKSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000179436008 822482564 /nfs/dbraw/zinc/48/25/64/822482564.db2.gz RTZWCFKMMBSFJN-PWECECGKSA-N 1 2 378.925 4.017 20 0 GIADLO COc1ccc2cc(C(=O)N3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)[nH]c2c1 ZINC000046542839 822484651 /nfs/dbraw/zinc/48/46/51/822484651.db2.gz URQYOPWYYLGBDK-UHFFFAOYSA-N 1 2 391.515 4.258 20 0 GIADLO COc1ccccc1-c1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)cc1 ZINC000179454596 822485363 /nfs/dbraw/zinc/48/53/63/822485363.db2.gz HLIDVUFRARWDQI-UHFFFAOYSA-N 1 2 389.499 4.202 20 0 GIADLO Cc1cccc2c1N(C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000454499359 822485465 /nfs/dbraw/zinc/48/54/65/822485465.db2.gz DSWAQDZHVVWVMG-ROUUACIJSA-N 1 2 379.504 4.199 20 0 GIADLO O[C@](C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)(c1ccccc1)C(F)(F)F ZINC000183548031 822493199 /nfs/dbraw/zinc/49/31/99/822493199.db2.gz JJHAFHZIKOIFFN-WOJBJXKFSA-N 1 2 390.380 4.350 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617431 822493532 /nfs/dbraw/zinc/49/35/32/822493532.db2.gz CPLOFQSDEIBBLR-UHFFFAOYSA-N 1 2 396.491 4.051 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1sc2cc(F)ccc2c1Cl ZINC000046619356 822493797 /nfs/dbraw/zinc/49/37/97/822493797.db2.gz LYGSMMQFJFCCMP-UHFFFAOYSA-N 1 2 389.883 4.488 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2OCc2cccnc2)cc1 ZINC000179533440 822498645 /nfs/dbraw/zinc/49/86/45/822498645.db2.gz QHIHDQJYOWFMDF-UHFFFAOYSA-N 1 2 375.472 4.040 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2OCc2cccnc2)cc1 ZINC000179533440 822498650 /nfs/dbraw/zinc/49/86/50/822498650.db2.gz QHIHDQJYOWFMDF-UHFFFAOYSA-N 1 2 375.472 4.040 20 0 GIADLO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000179534197 822498826 /nfs/dbraw/zinc/49/88/26/822498826.db2.gz VVLOPWWLDITRSZ-CQSZACIVSA-N 1 2 381.432 4.103 20 0 GIADLO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000183597062 822499171 /nfs/dbraw/zinc/49/91/71/822499171.db2.gz CDKZBOSCGHHMJR-SJCJKPOMSA-N 1 2 387.277 4.381 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3ncsc3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179548207 822501308 /nfs/dbraw/zinc/50/13/08/822501308.db2.gz LIRFTLVNNOOSFF-AEFFLSMTSA-N 1 2 388.443 4.141 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3ncsc3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179548207 822501309 /nfs/dbraw/zinc/50/13/09/822501309.db2.gz LIRFTLVNNOOSFF-AEFFLSMTSA-N 1 2 388.443 4.141 20 0 GIADLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000179626189 822514968 /nfs/dbraw/zinc/51/49/68/822514968.db2.gz WSQLGAFWYOPYHS-UHFFFAOYSA-N 1 2 380.517 4.178 20 0 GIADLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000179626189 822514970 /nfs/dbraw/zinc/51/49/70/822514970.db2.gz WSQLGAFWYOPYHS-UHFFFAOYSA-N 1 2 380.517 4.178 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N(c2ccccc2)C(C)C)cc1OC(F)F ZINC000046775747 822515990 /nfs/dbraw/zinc/51/59/90/822515990.db2.gz ZHWICGFYUZSSPA-UHFFFAOYSA-N 1 2 392.446 4.170 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)cc1OC(F)F ZINC000046775747 822515993 /nfs/dbraw/zinc/51/59/93/822515993.db2.gz ZHWICGFYUZSSPA-UHFFFAOYSA-N 1 2 392.446 4.170 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)CN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000179636263 822517182 /nfs/dbraw/zinc/51/71/82/822517182.db2.gz VOHFONQWRBQZJK-INIZCTEOSA-N 1 2 389.902 4.105 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CCCN3C)CC1 ZINC000183764417 822524713 /nfs/dbraw/zinc/52/47/13/822524713.db2.gz WNFFXAMVHVHIBA-MRXNPFEDSA-N 1 2 384.549 4.041 20 0 GIADLO CCC(CC)n1nc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1C ZINC000179685955 822526977 /nfs/dbraw/zinc/52/69/77/822526977.db2.gz BAPYPRXDUMXQRM-UHFFFAOYSA-N 1 2 397.567 4.017 20 0 GIADLO C[C@@H](c1cccc(NC(=O)NC[C@@H]2CCCCC2(F)F)c1)[NH+]1CCOCC1 ZINC000454749140 822527786 /nfs/dbraw/zinc/52/77/86/822527786.db2.gz USQGWLALROIKMK-RDJZCZTQSA-N 1 2 381.467 4.027 20 0 GIADLO Cc1cc(Br)cc(C)c1NC(=O)NCCCNc1cccc[nH+]1 ZINC000046944418 822533261 /nfs/dbraw/zinc/53/32/61/822533261.db2.gz XJIHNZKJPDVRMM-UHFFFAOYSA-N 1 2 377.286 4.085 20 0 GIADLO CN(Cc1ccc(Cl)cc1Cl)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943433 822533319 /nfs/dbraw/zinc/53/33/19/822533319.db2.gz AFXRPMKXKNYDRH-UHFFFAOYSA-N 1 2 393.318 4.199 20 0 GIADLO CC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccccc1OCC(=O)N(C)C ZINC000179729255 822536594 /nfs/dbraw/zinc/53/65/94/822536594.db2.gz IOFWQYVUQCIOLW-LJQANCHMSA-N 1 2 393.487 4.050 20 0 GIADLO Cc1cc(-c2noc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)n2)ccc1F ZINC000179765014 822547242 /nfs/dbraw/zinc/54/72/42/822547242.db2.gz WUFRUSCTLGXGPN-NRFANRHFSA-N 1 2 395.434 4.196 20 0 GIADLO COc1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)c(Br)c1OC ZINC000183927573 822548493 /nfs/dbraw/zinc/54/84/93/822548493.db2.gz XGAOMJYGXOFKPO-UHFFFAOYSA-N 1 2 385.327 4.256 20 0 GIADLO CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c(C)c1 ZINC000183981035 822557583 /nfs/dbraw/zinc/55/75/83/822557583.db2.gz BJUXCNUFPUFLIH-MRXNPFEDSA-N 1 2 399.564 4.338 20 0 GIADLO C[C@@H](C[N@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1nccs1 ZINC000183988228 822558641 /nfs/dbraw/zinc/55/86/41/822558641.db2.gz FRMZGQDJVDEBFE-ZDUSSCGKSA-N 1 2 396.541 4.344 20 0 GIADLO C[C@@H](C[N@@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1nccs1 ZINC000183988228 822558642 /nfs/dbraw/zinc/55/86/42/822558642.db2.gz FRMZGQDJVDEBFE-ZDUSSCGKSA-N 1 2 396.541 4.344 20 0 GIADLO Cc1cc(N(C)C)cc(C)c1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000184018588 822565083 /nfs/dbraw/zinc/56/50/83/822565083.db2.gz GPFZWQOTNGIAJJ-QGZVFWFLSA-N 1 2 386.565 4.342 20 0 GIADLO C[C@H](C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)[NH+]1CCSCC1 ZINC000179932484 822579524 /nfs/dbraw/zinc/57/95/24/822579524.db2.gz JIDGSAKXSUAFQD-CYBMUJFWSA-N 1 2 399.541 4.045 20 0 GIADLO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000179933503 822579985 /nfs/dbraw/zinc/57/99/85/822579985.db2.gz DMZULDKBYIOCCS-MNOVXSKESA-N 1 2 395.818 4.074 20 0 GIADLO CCCOc1cc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC ZINC000179941490 822581609 /nfs/dbraw/zinc/58/16/09/822581609.db2.gz XTNUUZDYJXDDQY-INIZCTEOSA-N 1 2 391.533 4.081 20 0 GIADLO CCCOc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC ZINC000179941490 822581611 /nfs/dbraw/zinc/58/16/11/822581611.db2.gz XTNUUZDYJXDDQY-INIZCTEOSA-N 1 2 391.533 4.081 20 0 GIADLO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000184122220 822581969 /nfs/dbraw/zinc/58/19/69/822581969.db2.gz DQEIGGSYGDKYMK-UHFFFAOYSA-N 1 2 380.492 4.055 20 0 GIADLO Cc1nnc(C[NH2+][C@](C)(Cc2cccc(Br)c2)c2ccccc2)o1 ZINC000179961896 822586294 /nfs/dbraw/zinc/58/62/94/822586294.db2.gz RQJMBJWNFBGOIB-LJQANCHMSA-N 1 2 386.293 4.388 20 0 GIADLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1ccco1 ZINC000184151537 822586353 /nfs/dbraw/zinc/58/63/53/822586353.db2.gz SFWKLZDWNXCSGH-FGTMMUONSA-N 1 2 390.549 4.397 20 0 GIADLO CC(C)COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000184151398 822586382 /nfs/dbraw/zinc/58/63/82/822586382.db2.gz SAZQFPJQIWXARB-WIYYLYMNSA-N 1 2 399.535 4.210 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)n1 ZINC000184174877 822590799 /nfs/dbraw/zinc/59/07/99/822590799.db2.gz NIQTUUYHWXLGIL-HNAYVOBHSA-N 1 2 385.558 4.378 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000047569495 822591851 /nfs/dbraw/zinc/59/18/51/822591851.db2.gz CKOGDDJZCGAGPF-ZGXWSNOMSA-N 1 2 385.552 4.340 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000047569495 822591853 /nfs/dbraw/zinc/59/18/53/822591853.db2.gz CKOGDDJZCGAGPF-ZGXWSNOMSA-N 1 2 385.552 4.340 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)n1 ZINC000184184942 822592438 /nfs/dbraw/zinc/59/24/38/822592438.db2.gz WMPJYCKKUBIYFV-CYBMUJFWSA-N 1 2 398.557 4.123 20 0 GIADLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(-c4cccc(F)c4)o3)ccc2NC1=O ZINC000180004906 822594169 /nfs/dbraw/zinc/59/41/69/822594169.db2.gz SAIFPZKGDRDNBV-SCLBCKFNSA-N 1 2 395.434 4.441 20 0 GIADLO CC(C)COC[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccco1 ZINC000184197166 822594609 /nfs/dbraw/zinc/59/46/09/822594609.db2.gz XDCREJQJRCHKMY-HXUWFJFHSA-N 1 2 381.472 4.378 20 0 GIADLO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184200921 822595168 /nfs/dbraw/zinc/59/51/68/822595168.db2.gz CXVDHURLHXGSCL-WBVHZDCISA-N 1 2 376.522 4.332 20 0 GIADLO CCOc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000047602209 822595579 /nfs/dbraw/zinc/59/55/79/822595579.db2.gz PILLOXWLGHVFGL-UHFFFAOYSA-N 1 2 384.867 4.305 20 0 GIADLO CCOc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000047601730 822595593 /nfs/dbraw/zinc/59/55/93/822595593.db2.gz XPXTXOWGMDUZLA-UHFFFAOYSA-N 1 2 384.867 4.305 20 0 GIADLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(-c4ccccc4F)o3)ccc2NC1=O ZINC000180012743 822596420 /nfs/dbraw/zinc/59/64/20/822596420.db2.gz SYDHWWCSOQFXMK-SCLBCKFNSA-N 1 2 395.434 4.441 20 0 GIADLO CCO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)cs1 ZINC000180020647 822598167 /nfs/dbraw/zinc/59/81/67/822598167.db2.gz VQYRGTDHMKQWJP-AHIWAGSCSA-N 1 2 389.521 4.201 20 0 GIADLO CC[C@@H]1Cc2ccccc2CN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000184231482 822600033 /nfs/dbraw/zinc/60/00/33/822600033.db2.gz YFRHBTKFKIWHTJ-JOCHJYFZSA-N 1 2 388.515 4.020 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 ZINC000184255826 822604234 /nfs/dbraw/zinc/60/42/34/822604234.db2.gz CKBTUGARTJDZAF-SECBINFHSA-N 1 2 377.819 4.413 20 0 GIADLO COc1cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)ccn1 ZINC000180065846 822607669 /nfs/dbraw/zinc/60/76/69/822607669.db2.gz IINYZQILRGNSHV-JOCHJYFZSA-N 1 2 396.874 4.394 20 0 GIADLO O=C(Nc1ccccc1SC(F)(F)F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047863965 822615029 /nfs/dbraw/zinc/61/50/29/822615029.db2.gz HKWSSOYRRYVRKU-UHFFFAOYSA-N 1 2 396.438 4.484 20 0 GIADLO O=S(=O)(CC[NH2+]Cc1ncc(-c2ccccc2)s1)c1ccc(Cl)cc1 ZINC000180099398 822615130 /nfs/dbraw/zinc/61/51/30/822615130.db2.gz SATJDBSBTDLERY-UHFFFAOYSA-N 1 2 392.933 4.027 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2cccnc2OC2CCCC2)c2cccc(F)c2)cn1 ZINC000180105390 822616048 /nfs/dbraw/zinc/61/60/48/822616048.db2.gz YNJFHILDOOSPCL-NRFANRHFSA-N 1 2 380.467 4.155 20 0 GIADLO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1Br)c1nc(C)cs1 ZINC000184352666 822620631 /nfs/dbraw/zinc/62/06/31/822620631.db2.gz CJECXUKUEJNBDL-GFCCVEGCSA-N 1 2 385.327 4.472 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000184400933 822628580 /nfs/dbraw/zinc/62/85/80/822628580.db2.gz FBDFPBYWFUMVNU-FZMZJTMJSA-N 1 2 384.814 4.253 20 0 GIADLO C[C@H]([NH2+]CC(=O)NCCC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000184421575 822632160 /nfs/dbraw/zinc/63/21/60/822632160.db2.gz IKTVVJXKMDMOHW-KRWDZBQOSA-N 1 2 379.529 4.132 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000184423820 822632607 /nfs/dbraw/zinc/63/26/07/822632607.db2.gz OORVHHFYNMTSLX-YJBOKZPZSA-N 1 2 381.505 4.045 20 0 GIADLO Cc1nc([C@H](NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(Cl)cc2)no1 ZINC000180191491 822636217 /nfs/dbraw/zinc/63/62/17/822636217.db2.gz MIAGCZMLUMNLEJ-LJQANCHMSA-N 1 2 379.851 4.096 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1Br)c1nc(C(C)(C)C)cs1 ZINC000184450262 822637453 /nfs/dbraw/zinc/63/74/53/822637453.db2.gz NULAIELJRNDRPA-NSHDSACASA-N 1 2 396.354 4.492 20 0 GIADLO Cc1cc(C)cc(OCc2noc(C[N@H+](Cc3ccccc3)CC(C)(C)O)n2)c1 ZINC000180198085 822637734 /nfs/dbraw/zinc/63/77/34/822637734.db2.gz XEHKMVCBWDJFAG-UHFFFAOYSA-N 1 2 395.503 4.039 20 0 GIADLO Cc1cc(C)cc(OCc2noc(C[N@@H+](Cc3ccccc3)CC(C)(C)O)n2)c1 ZINC000180198085 822637736 /nfs/dbraw/zinc/63/77/36/822637736.db2.gz XEHKMVCBWDJFAG-UHFFFAOYSA-N 1 2 395.503 4.039 20 0 GIADLO Fc1cccc(OC[C@H]([NH2+]Cc2cc[nH]n2)c2cccc(C(F)(F)F)c2)c1 ZINC000180207543 822639603 /nfs/dbraw/zinc/63/96/03/822639603.db2.gz VYABAKHGRIAXEL-SFHVURJKSA-N 1 2 379.357 4.478 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184478172 822642797 /nfs/dbraw/zinc/64/27/97/822642797.db2.gz SHYDHSKUWOESRT-CHWSQXEVSA-N 1 2 388.537 4.077 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1nc(C(C)(C)C)cs1 ZINC000184501395 822646287 /nfs/dbraw/zinc/64/62/87/822646287.db2.gz BEVZFGWHOIAVRH-ZDUSSCGKSA-N 1 2 375.542 4.042 20 0 GIADLO CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180241493 822646598 /nfs/dbraw/zinc/64/65/98/822646598.db2.gz KIFYINJCRFULSO-HSZRJFAPSA-N 1 2 394.494 4.423 20 0 GIADLO Cn1cc([C@@H]([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)cn1 ZINC000184589036 822662152 /nfs/dbraw/zinc/66/21/52/822662152.db2.gz ZBGBGMMITJXMRG-QFIPXVFZSA-N 1 2 394.494 4.174 20 0 GIADLO CC(C)c1ccccc1NC(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184600656 822663947 /nfs/dbraw/zinc/66/39/47/822663947.db2.gz NCSNYVOAMQRYIT-QFIPXVFZSA-N 1 2 380.467 4.000 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c(C)[nH+]1 ZINC000455489110 822664617 /nfs/dbraw/zinc/66/46/17/822664617.db2.gz VKSOPCHTBIKNDY-UHFFFAOYSA-N 1 2 390.491 4.203 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)c(C)[nH+]1 ZINC000455491206 822665033 /nfs/dbraw/zinc/66/50/33/822665033.db2.gz YCPAKDOJMMAOIA-UHFFFAOYSA-N 1 2 386.540 4.043 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)c(C)[nH+]1 ZINC000455498650 822666305 /nfs/dbraw/zinc/66/63/05/822666305.db2.gz RSYRBQFGQDORMX-HNNXBMFYSA-N 1 2 390.434 4.009 20 0 GIADLO COC[C@H]([NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1ccc(C)o1 ZINC000184631946 822668638 /nfs/dbraw/zinc/66/86/38/822668638.db2.gz VBAMVVAAGYJUBJ-NRFANRHFSA-N 1 2 392.499 4.113 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)[nH+]1 ZINC000455535348 822671676 /nfs/dbraw/zinc/67/16/76/822671676.db2.gz VAGTYAXIOLKGTK-IEBWSBKVSA-N 1 2 390.890 4.366 20 0 GIADLO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180378572 822672508 /nfs/dbraw/zinc/67/25/08/822672508.db2.gz JWKLCWKLKJTWRB-OAHLLOKOSA-N 1 2 396.413 4.387 20 0 GIADLO COC[C@H]([NH2+]Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)o1 ZINC000184666604 822672981 /nfs/dbraw/zinc/67/29/81/822672981.db2.gz NINXJNVWCDQVAX-NRFANRHFSA-N 1 2 399.512 4.207 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)c[nH+]1 ZINC000455555269 822674315 /nfs/dbraw/zinc/67/43/15/822674315.db2.gz FDMUVBZAQRDUMB-MRXNPFEDSA-N 1 2 392.272 4.087 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)c[nH+]1 ZINC000455577026 822677402 /nfs/dbraw/zinc/67/74/02/822677402.db2.gz SXYLTMYZORHMBX-INIZCTEOSA-N 1 2 388.309 4.160 20 0 GIADLO O=C(Nc1ccccc1N1CCc2ccccc21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180414139 822677631 /nfs/dbraw/zinc/67/76/31/822677631.db2.gz SDSDRJGIMSXOQH-LJQANCHMSA-N 1 2 387.487 4.274 20 0 GIADLO CN(C)c1c(Cl)cccc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000048740134 822680470 /nfs/dbraw/zinc/68/04/70/822680470.db2.gz LDNHWNPHPRNYJA-UHFFFAOYSA-N 1 2 397.910 4.015 20 0 GIADLO Cc1ccc(-n2c(SCCCn3cc[nH+]c3)nnc2-c2ccncc2)cc1 ZINC000180434194 822681082 /nfs/dbraw/zinc/68/10/82/822681082.db2.gz DTNDKZFNXXWWFU-UHFFFAOYSA-N 1 2 376.489 4.017 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)cs1 ZINC000184728462 822682936 /nfs/dbraw/zinc/68/29/36/822682936.db2.gz SAYUTLOSXXLELA-CQSZACIVSA-N 1 2 377.529 4.323 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)cs1 ZINC000184728479 822683036 /nfs/dbraw/zinc/68/30/36/822683036.db2.gz SAYUTLOSXXLELA-AWEZNQCLSA-N 1 2 377.529 4.323 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccc(Br)n1 ZINC000180444877 822683177 /nfs/dbraw/zinc/68/31/77/822683177.db2.gz NYODOKIZEDRVDW-UHFFFAOYSA-N 1 2 397.276 4.296 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484737 822689531 /nfs/dbraw/zinc/68/95/31/822689531.db2.gz OKSQVGKOZHTROY-BLLLJJGKSA-N 1 2 382.451 4.349 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484737 822689533 /nfs/dbraw/zinc/68/95/33/822689533.db2.gz OKSQVGKOZHTROY-BLLLJJGKSA-N 1 2 382.451 4.349 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2cccc(-c3csc(C)n3)c2)o1 ZINC000184781172 822690003 /nfs/dbraw/zinc/69/00/03/822690003.db2.gz KLQPOEQYFAPVHZ-SFHVURJKSA-N 1 2 399.516 4.190 20 0 GIADLO COCCOc1ccc(C[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)cc1 ZINC000180523204 822695905 /nfs/dbraw/zinc/69/59/05/822695905.db2.gz OYOFTVOGCQBXFP-UHFFFAOYSA-N 1 2 391.515 4.321 20 0 GIADLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c(C(C)(C)C)n1 ZINC000180532219 822697428 /nfs/dbraw/zinc/69/74/28/822697428.db2.gz ZDXZCPVENACYTM-KRWDZBQOSA-N 1 2 381.442 4.310 20 0 GIADLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c(C(C)(C)C)n1 ZINC000180532219 822697429 /nfs/dbraw/zinc/69/74/29/822697429.db2.gz ZDXZCPVENACYTM-KRWDZBQOSA-N 1 2 381.442 4.310 20 0 GIADLO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180534546 822697852 /nfs/dbraw/zinc/69/78/52/822697852.db2.gz LEQQWWLIXHZBIW-ICSRJNTNSA-N 1 2 381.524 4.267 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2ccccc2-c2ccccc2)o1 ZINC000184853417 822700720 /nfs/dbraw/zinc/70/07/20/822700720.db2.gz BKKQKZXUVXJMSE-OAQYLSRUSA-N 1 2 378.472 4.425 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000049637288 822703464 /nfs/dbraw/zinc/70/34/64/822703464.db2.gz IOUUKGCDWOKTDQ-QHCPKHFHSA-N 1 2 387.483 4.118 20 0 GIADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S ZINC000184978563 822720922 /nfs/dbraw/zinc/72/09/22/822720922.db2.gz IBEZMRDYLVPQDP-AUUYWEPGSA-N 1 2 399.564 4.317 20 0 GIADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(C2CC2)n(-c2cccc(NC(C)=O)c2)c1=S ZINC000184978563 822720924 /nfs/dbraw/zinc/72/09/24/822720924.db2.gz IBEZMRDYLVPQDP-AUUYWEPGSA-N 1 2 399.564 4.317 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Br)cc(F)c1O ZINC000184984257 822721836 /nfs/dbraw/zinc/72/18/36/822721836.db2.gz YOPPXVMBMLDHEB-GFCCVEGCSA-N 1 2 394.288 4.140 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)s1 ZINC000184987196 822722193 /nfs/dbraw/zinc/72/21/93/822722193.db2.gz LNVGACOGLGYHGN-JKSUJKDBSA-N 1 2 393.512 4.360 20 0 GIADLO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@@H](C)c2ncc(C)s2)cc1 ZINC000184988354 822722361 /nfs/dbraw/zinc/72/23/61/822722361.db2.gz OZHRGUWMQROHDA-QFBILLFUSA-N 1 2 387.549 4.255 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)s1 ZINC000185002206 822723944 /nfs/dbraw/zinc/72/39/44/822723944.db2.gz ZXXLEXWPOBLQJI-IFXJQAMLSA-N 1 2 375.513 4.289 20 0 GIADLO O=C(NC1(c2cccc(C(F)(F)F)c2)CCCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000455798391 822728594 /nfs/dbraw/zinc/72/85/94/822728594.db2.gz RVDSFOOYTVZEHT-OAHLLOKOSA-N 1 2 391.437 4.440 20 0 GIADLO O=C(NC1(c2cccc(C(F)(F)F)c2)CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000455798390 822728655 /nfs/dbraw/zinc/72/86/55/822728655.db2.gz RVDSFOOYTVZEHT-HNNXBMFYSA-N 1 2 391.437 4.440 20 0 GIADLO COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H](CCO)c2ccco2)on1 ZINC000185074907 822733396 /nfs/dbraw/zinc/73/33/96/822733396.db2.gz WGNDFPCEPWDRCS-GOSISDBHSA-N 1 2 378.428 4.310 20 0 GIADLO COc1cccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)c1OC ZINC000185076968 822733735 /nfs/dbraw/zinc/73/37/35/822733735.db2.gz KULNRRURCOXBAQ-JTQLQIEISA-N 1 2 384.245 4.162 20 0 GIADLO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cn1 ZINC000185085356 822734723 /nfs/dbraw/zinc/73/47/23/822734723.db2.gz KROGSRJXMRYNKP-GFCCVEGCSA-N 1 2 396.304 4.386 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3scnc3C(C)C)CC2)c1 ZINC000455846868 822736186 /nfs/dbraw/zinc/73/61/86/822736186.db2.gz NYIQPVFHDWFXLL-HNNXBMFYSA-N 1 2 388.537 4.186 20 0 GIADLO CC[C@H]([NH2+][C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)c1nccs1 ZINC000185105770 822737848 /nfs/dbraw/zinc/73/78/48/822737848.db2.gz GVNREMMAMLHQQV-WZRBSPASSA-N 1 2 388.562 4.368 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)c1nccs1 ZINC000185105736 822737876 /nfs/dbraw/zinc/73/78/76/822737876.db2.gz GVNREMMAMLHQQV-MDZLAQPJSA-N 1 2 388.562 4.368 20 0 GIADLO CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000050863148 822740508 /nfs/dbraw/zinc/74/05/08/822740508.db2.gz JFAILRNWTJDOPS-UNMCSNQZSA-N 1 2 375.472 4.112 20 0 GIADLO CCc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cnn1-c1ccc(OC)cc1 ZINC000185134479 822741358 /nfs/dbraw/zinc/74/13/58/822741358.db2.gz LHCBFZMBDUFEDY-UHFFFAOYSA-N 1 2 387.443 4.086 20 0 GIADLO CCn1c(=S)n(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)nc1C1CC1 ZINC000050928023 822742716 /nfs/dbraw/zinc/74/27/16/822742716.db2.gz JGBMXESYHMRZFW-RBUKOAKNSA-N 1 2 386.565 4.369 20 0 GIADLO CCn1c(=S)n(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)nc1C1CC1 ZINC000050928023 822742718 /nfs/dbraw/zinc/74/27/18/822742718.db2.gz JGBMXESYHMRZFW-RBUKOAKNSA-N 1 2 386.565 4.369 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)Nc1cccc(OC(F)F)c1 ZINC000051157308 822748654 /nfs/dbraw/zinc/74/86/54/822748654.db2.gz DNZICFPJLXTZIR-UHFFFAOYSA-N 1 2 382.436 4.374 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1C ZINC000051234607 822751377 /nfs/dbraw/zinc/75/13/77/822751377.db2.gz NHAUXLPKPFIOQS-UHFFFAOYSA-N 1 2 391.475 4.092 20 0 GIADLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185234697 822752856 /nfs/dbraw/zinc/75/28/56/822752856.db2.gz HBOZELBEOYOAKG-UHFFFAOYSA-N 1 2 391.855 4.108 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185234697 822752857 /nfs/dbraw/zinc/75/28/57/822752857.db2.gz HBOZELBEOYOAKG-UHFFFAOYSA-N 1 2 391.855 4.108 20 0 GIADLO C[C@H]([NH2+]Cc1cscn1)c1cc(Br)cc(Br)c1O ZINC000185246485 822754224 /nfs/dbraw/zinc/75/42/24/822754224.db2.gz YKYPDCUPNAAEAZ-ZETCQYMHSA-N 1 2 392.116 4.225 20 0 GIADLO Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CO2 ZINC000185255637 822755374 /nfs/dbraw/zinc/75/53/74/822755374.db2.gz PYPLMYSKESYQOZ-UEXGIBASSA-N 1 2 394.515 4.027 20 0 GIADLO Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CO2 ZINC000185255637 822755376 /nfs/dbraw/zinc/75/53/76/822755376.db2.gz PYPLMYSKESYQOZ-UEXGIBASSA-N 1 2 394.515 4.027 20 0 GIADLO CCOc1cccc2cc([C@@H](C)NC(=O)NCc3[nH+]cc(C)c(OC)c3C)oc21 ZINC000051335001 822756648 /nfs/dbraw/zinc/75/66/48/822756648.db2.gz MBONABNMBYIRPL-OAHLLOKOSA-N 1 2 397.475 4.412 20 0 GIADLO CCCCc1ccc(C(=O)CCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000051376823 822757958 /nfs/dbraw/zinc/75/79/58/822757958.db2.gz GUDCGZLBCCUNRL-UHFFFAOYSA-N 1 2 393.531 4.304 20 0 GIADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000455964339 822758148 /nfs/dbraw/zinc/75/81/48/822758148.db2.gz ZPOOCEUIUULCEV-GHTZIAJQSA-N 1 2 391.902 4.425 20 0 GIADLO O=C(Nc1cc(Cl)cc(Br)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000455965353 822758436 /nfs/dbraw/zinc/75/84/36/822758436.db2.gz FPYKJZFAFYINRE-UHFFFAOYSA-N 1 2 383.677 4.237 20 0 GIADLO CN(C(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1 ZINC000051500081 822763166 /nfs/dbraw/zinc/76/31/66/822763166.db2.gz KNLWBDDAQVWWHT-UHFFFAOYSA-N 1 2 393.434 4.410 20 0 GIADLO CN(C(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1 ZINC000051500081 822763169 /nfs/dbraw/zinc/76/31/69/822763169.db2.gz KNLWBDDAQVWWHT-UHFFFAOYSA-N 1 2 393.434 4.410 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc(Br)ccc2C)c1C ZINC000051615708 822768658 /nfs/dbraw/zinc/76/86/58/822768658.db2.gz IRWVQNABEIKALZ-UHFFFAOYSA-N 1 2 378.270 4.100 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(F)c(F)c1F ZINC000174326309 822771455 /nfs/dbraw/zinc/77/14/55/822771455.db2.gz IZQSZFJLWWJBOO-UHFFFAOYSA-N 1 2 392.425 4.269 20 0 GIADLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)CC[NH2+]1 ZINC000456068210 822773842 /nfs/dbraw/zinc/77/38/42/822773842.db2.gz NPJILPWXARXKDA-KDOFPFPSSA-N 1 2 392.421 4.148 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000185386193 822776308 /nfs/dbraw/zinc/77/63/08/822776308.db2.gz YRSOFCZYVICBCN-WQVCFCJDSA-N 1 2 394.462 4.174 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1F ZINC000051792662 822778421 /nfs/dbraw/zinc/77/84/21/822778421.db2.gz JUHQILSJLVOTHJ-HNNXBMFYSA-N 1 2 384.451 4.232 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1F ZINC000051792662 822778423 /nfs/dbraw/zinc/77/84/23/822778423.db2.gz JUHQILSJLVOTHJ-HNNXBMFYSA-N 1 2 384.451 4.232 20 0 GIADLO Cc1c(-c2cc(C[NH2+][C@H](C)c3nc(-c4ccccc4)cs3)on2)cnn1C ZINC000185442544 822784411 /nfs/dbraw/zinc/78/44/11/822784411.db2.gz QHSFQKCTXPGZTE-CYBMUJFWSA-N 1 2 379.489 4.358 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)c2ccc(F)cc2)cn1 ZINC000185447280 822785399 /nfs/dbraw/zinc/78/53/99/822785399.db2.gz MZJBPWGZUCXORM-LJQANCHMSA-N 1 2 393.384 4.380 20 0 GIADLO COc1ccc2nc(C[NH2+][C@H](c3cnn(C)c3)c3ccc(F)cc3)sc2c1 ZINC000185449422 822785803 /nfs/dbraw/zinc/78/58/03/822785803.db2.gz VURZTCMQYPKYGA-FQEVSTJZSA-N 1 2 382.464 4.057 20 0 GIADLO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000051992571 822786224 /nfs/dbraw/zinc/78/62/24/822786224.db2.gz MXGTYUAJBGSFBE-UHFFFAOYSA-N 1 2 382.504 4.102 20 0 GIADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(C)C(c2ccccc2)c2ccccc2)on1 ZINC000052008020 822786598 /nfs/dbraw/zinc/78/65/98/822786598.db2.gz HOIAQVBKHVIACS-NRFANRHFSA-N 1 2 389.499 4.368 20 0 GIADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C(c2ccccc2)c2ccccc2)on1 ZINC000052008020 822786602 /nfs/dbraw/zinc/78/66/02/822786602.db2.gz HOIAQVBKHVIACS-NRFANRHFSA-N 1 2 389.499 4.368 20 0 GIADLO CSc1ccccc1NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174428616 822788749 /nfs/dbraw/zinc/78/87/49/822788749.db2.gz ABYPOBHATQZAPT-UHFFFAOYSA-N 1 2 384.549 4.265 20 0 GIADLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000052073474 822789806 /nfs/dbraw/zinc/78/98/06/822789806.db2.gz DVOKNAFUKYZIJH-AWEZNQCLSA-N 1 2 380.410 4.079 20 0 GIADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000052073474 822789807 /nfs/dbraw/zinc/78/98/07/822789807.db2.gz DVOKNAFUKYZIJH-AWEZNQCLSA-N 1 2 380.410 4.079 20 0 GIADLO C[C@@H]1C[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](c2ccccc2)CO1 ZINC000174461154 822793186 /nfs/dbraw/zinc/79/31/86/822793186.db2.gz FOYLJMYMOJQKCB-JPYJTQIMSA-N 1 2 390.483 4.172 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](c2ccccc2)CO1 ZINC000174461154 822793187 /nfs/dbraw/zinc/79/31/87/822793187.db2.gz FOYLJMYMOJQKCB-JPYJTQIMSA-N 1 2 390.483 4.172 20 0 GIADLO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(Br)cc(F)c1O ZINC000185532421 822794170 /nfs/dbraw/zinc/79/41/70/822794170.db2.gz SOKCWQQRLSXKRY-SJCJKPOMSA-N 1 2 382.273 4.458 20 0 GIADLO CC(C)Oc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000052264814 822795006 /nfs/dbraw/zinc/79/50/06/822795006.db2.gz AUBPDHIFHAQGOF-UHFFFAOYSA-N 1 2 386.402 4.259 20 0 GIADLO NC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)c1 ZINC000185632906 822804619 /nfs/dbraw/zinc/80/46/19/822804619.db2.gz MZVZBDXKXCCFHG-QGZVFWFLSA-N 1 2 377.257 4.024 20 0 GIADLO NC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)c1 ZINC000185632906 822804621 /nfs/dbraw/zinc/80/46/21/822804621.db2.gz MZVZBDXKXCCFHG-QGZVFWFLSA-N 1 2 377.257 4.024 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638364 822806037 /nfs/dbraw/zinc/80/60/37/822806037.db2.gz VLNWZGMLUNGYNE-FUHWJXTLSA-N 1 2 399.705 4.175 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638364 822806040 /nfs/dbraw/zinc/80/60/40/822806040.db2.gz VLNWZGMLUNGYNE-FUHWJXTLSA-N 1 2 399.705 4.175 20 0 GIADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000052749727 822809470 /nfs/dbraw/zinc/80/94/70/822809470.db2.gz HBVXGXOOGMNORQ-MRXNPFEDSA-N 1 2 378.501 4.081 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1O ZINC000174625026 822814096 /nfs/dbraw/zinc/81/40/96/822814096.db2.gz OZJUAVIOZXUUQB-LLVKDONJSA-N 1 2 383.275 4.167 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1O ZINC000174625026 822814099 /nfs/dbraw/zinc/81/40/99/822814099.db2.gz OZJUAVIOZXUUQB-LLVKDONJSA-N 1 2 383.275 4.167 20 0 GIADLO CCc1cnc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)s1 ZINC000174626718 822814364 /nfs/dbraw/zinc/81/43/64/822814364.db2.gz KTXNAHUCEOYRGC-UHFFFAOYSA-N 1 2 377.254 4.359 20 0 GIADLO CCc1ccc([C@H]([NH2+]Cc2ccc(C)o2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174633977 822815314 /nfs/dbraw/zinc/81/53/14/822815314.db2.gz ZNBSURFKOINPQJ-QFIPXVFZSA-N 1 2 383.513 4.433 20 0 GIADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000185751118 822817660 /nfs/dbraw/zinc/81/76/60/822817660.db2.gz ZCGZPURTHHABNP-UHFFFAOYSA-N 1 2 398.812 4.443 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(OCC(F)F)cc3)n2)c1 ZINC000174656103 822818938 /nfs/dbraw/zinc/81/89/38/822818938.db2.gz FTFPKIBCKRFYEJ-CYBMUJFWSA-N 1 2 389.402 4.240 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cccc(Br)c3)n2)c1 ZINC000174656761 822819198 /nfs/dbraw/zinc/81/91/98/822819198.db2.gz JNDOIHPGCWMUII-GFCCVEGCSA-N 1 2 388.265 4.359 20 0 GIADLO COc1ccc2c(C[N@@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)cc(=O)oc2c1 ZINC000053369278 822832059 /nfs/dbraw/zinc/83/20/59/822832059.db2.gz HMEJEKNPMLIFCU-HXUWFJFHSA-N 1 2 385.847 4.029 20 0 GIADLO COc1ccc2c(C[N@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)cc(=O)oc2c1 ZINC000053369278 822832063 /nfs/dbraw/zinc/83/20/63/822832063.db2.gz HMEJEKNPMLIFCU-HXUWFJFHSA-N 1 2 385.847 4.029 20 0 GIADLO Cc1cc(C)c(CNC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)c[nH+]1 ZINC000456826338 822835569 /nfs/dbraw/zinc/83/55/69/822835569.db2.gz ASCJDANNMBUVOV-UHFFFAOYSA-N 1 2 377.410 4.247 20 0 GIADLO CCc1nc(NC(=O)C[NH2+][C@@H](CC)c2nc(C(F)(F)F)cs2)sc1C ZINC000185952558 822836657 /nfs/dbraw/zinc/83/66/57/822836657.db2.gz KDYDAAHKGYFYAD-JTQLQIEISA-N 1 2 392.472 4.169 20 0 GIADLO Cc1cc(C)c(CNC(=O)c2ccoc2CN2c3ccccc3C[C@H]2C)c[nH+]1 ZINC000456842400 822837460 /nfs/dbraw/zinc/83/74/60/822837460.db2.gz PFJAHLAALWGGHA-QGZVFWFLSA-N 1 2 375.472 4.173 20 0 GIADLO CC[C@H]([NH2+]CC(=O)NC1CCCCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185959246 822837619 /nfs/dbraw/zinc/83/76/19/822837619.db2.gz CCWFPKDEOUCTPF-ZDUSSCGKSA-N 1 2 377.476 4.432 20 0 GIADLO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1F)c1nc(C(F)(F)F)cs1 ZINC000185983499 822840897 /nfs/dbraw/zinc/84/08/97/822840897.db2.gz IJYKOZXEDJTVOJ-GFCCVEGCSA-N 1 2 376.375 4.329 20 0 GIADLO Cc1c(Br)scc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000185986402 822841346 /nfs/dbraw/zinc/84/13/46/822841346.db2.gz ABMHZLQAPYVTHR-UHFFFAOYSA-N 1 2 380.242 4.396 20 0 GIADLO Fc1ccc(F)c([C@@H]2C[C@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000174838589 822844504 /nfs/dbraw/zinc/84/45/04/822844504.db2.gz NNAKNCZENWLREC-PKOBYXMFSA-N 1 2 397.425 4.118 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1Cl ZINC000053718276 822845885 /nfs/dbraw/zinc/84/58/85/822845885.db2.gz KSAWUPSHJNFNRA-KRWDZBQOSA-N 1 2 392.858 4.272 20 0 GIADLO COc1cc(OC)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1Cl ZINC000053718276 822845889 /nfs/dbraw/zinc/84/58/89/822845889.db2.gz KSAWUPSHJNFNRA-KRWDZBQOSA-N 1 2 392.858 4.272 20 0 GIADLO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000174861869 822848089 /nfs/dbraw/zinc/84/80/89/822848089.db2.gz VSACEDPIUFSMFA-JXFKEZNVSA-N 1 2 382.483 4.114 20 0 GIADLO O=C(N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000457074898 822850465 /nfs/dbraw/zinc/85/04/65/822850465.db2.gz KLHWTKSOFCUBHY-RXVVDRJESA-N 1 2 398.934 4.238 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCCOc1cccc(F)c1 ZINC000174895189 822851946 /nfs/dbraw/zinc/85/19/46/822851946.db2.gz KWOZOYPDTFCAOE-UHFFFAOYSA-N 1 2 399.510 4.145 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000174895842 822852121 /nfs/dbraw/zinc/85/21/21/822852121.db2.gz LPISYIOQRQNFCT-WOJBJXKFSA-N 1 2 399.485 4.228 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H](C)c1ccccc1F ZINC000174900897 822852814 /nfs/dbraw/zinc/85/28/14/822852814.db2.gz XRULHAYELVEPHK-SFHVURJKSA-N 1 2 383.511 4.479 20 0 GIADLO COc1cccc(F)c1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000186138432 822854840 /nfs/dbraw/zinc/85/48/40/822854840.db2.gz ULMZMBKLWRNZTN-HKUYNNGSSA-N 1 2 380.423 4.081 20 0 GIADLO CC(C)CCOc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000174981734 822864045 /nfs/dbraw/zinc/86/40/45/822864045.db2.gz HRNGOXIQJDFNSU-IBGZPJMESA-N 1 2 396.535 4.417 20 0 GIADLO Cc1cc(NC(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c(C)c[nH+]1 ZINC000568960163 822865220 /nfs/dbraw/zinc/86/52/20/822865220.db2.gz CKZDKTYDRWNHMG-RDTXWAMCSA-N 1 2 393.409 4.133 20 0 GIADLO CC(C)CCOC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 ZINC000186278262 822869156 /nfs/dbraw/zinc/86/91/56/822869156.db2.gz URGBSSQPZQVVRE-UHFFFAOYSA-N 1 2 376.932 4.163 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Br)ccc1F ZINC000054224692 822869519 /nfs/dbraw/zinc/86/95/19/822869519.db2.gz YLIYOEXCWZSRKP-UHFFFAOYSA-N 1 2 378.176 4.165 20 0 GIADLO CC(C)Oc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000457411868 822873656 /nfs/dbraw/zinc/87/36/56/822873656.db2.gz YDUQLASDFXGIAM-UHFFFAOYSA-N 1 2 388.895 4.212 20 0 GIADLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054300618 822873935 /nfs/dbraw/zinc/87/39/35/822873935.db2.gz QIYMKKCOAYPRFC-GOSISDBHSA-N 1 2 378.516 4.479 20 0 GIADLO Cc1cc(Br)c(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)s1 ZINC000457436056 822874983 /nfs/dbraw/zinc/87/49/83/822874983.db2.gz HWKROABPEOJJDH-JTQLQIEISA-N 1 2 399.379 4.057 20 0 GIADLO Cc1cc(Br)c(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)s1 ZINC000457436056 822874986 /nfs/dbraw/zinc/87/49/86/822874986.db2.gz HWKROABPEOJJDH-JTQLQIEISA-N 1 2 399.379 4.057 20 0 GIADLO C[C@H](CC(F)(F)F)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457460567 822877328 /nfs/dbraw/zinc/87/73/28/822877328.db2.gz XXQJNTYWAUVOQO-BXUZGUMPSA-N 1 2 380.813 4.321 20 0 GIADLO O=C(c1cc[nH]c1C1CCC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000569100242 822879962 /nfs/dbraw/zinc/87/99/62/822879962.db2.gz XVDIFSMHTNFNIB-UHFFFAOYSA-N 1 2 382.895 4.475 20 0 GIADLO CCOc1ccccc1CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000054433893 822885077 /nfs/dbraw/zinc/88/50/77/822885077.db2.gz HFWLJKNZHLGRHY-HDICACEKSA-N 1 2 397.519 4.016 20 0 GIADLO CCOc1ccccc1CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000054433893 822885081 /nfs/dbraw/zinc/88/50/81/822885081.db2.gz HFWLJKNZHLGRHY-HDICACEKSA-N 1 2 397.519 4.016 20 0 GIADLO CCN(C(=O)C[N@@H+]1CCCC[C@H]1c1cccn1C)c1nc2ccccc2s1 ZINC000175124767 822887420 /nfs/dbraw/zinc/88/74/20/822887420.db2.gz QOHRDOKOXZJQAQ-SFHVURJKSA-N 1 2 382.533 4.215 20 0 GIADLO CCN(C(=O)C[N@H+]1CCCC[C@H]1c1cccn1C)c1nc2ccccc2s1 ZINC000175124767 822887423 /nfs/dbraw/zinc/88/74/23/822887423.db2.gz QOHRDOKOXZJQAQ-SFHVURJKSA-N 1 2 382.533 4.215 20 0 GIADLO CC(C)c1nn(C)c(Cl)c1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000175125670 822887637 /nfs/dbraw/zinc/88/76/37/822887637.db2.gz LIGPAAYRIARYFZ-GFCCVEGCSA-N 1 2 395.960 4.138 20 0 GIADLO CC(C)c1nn(C)c(Cl)c1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000175125670 822887642 /nfs/dbraw/zinc/88/76/42/822887642.db2.gz LIGPAAYRIARYFZ-GFCCVEGCSA-N 1 2 395.960 4.138 20 0 GIADLO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569188387 822890556 /nfs/dbraw/zinc/89/05/56/822890556.db2.gz IVAYJAPTFZFCSZ-CYBMUJFWSA-N 1 2 383.782 4.022 20 0 GIADLO Fc1ccccc1-c1nn(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(=S)n1C1CC1 ZINC000054495363 822890833 /nfs/dbraw/zinc/89/08/33/822890833.db2.gz AZUKOFZDXPBSIA-AWEZNQCLSA-N 1 2 388.512 4.013 20 0 GIADLO Fc1ccccc1-c1nn(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(=S)n1C1CC1 ZINC000054495363 822890840 /nfs/dbraw/zinc/89/08/40/822890840.db2.gz AZUKOFZDXPBSIA-AWEZNQCLSA-N 1 2 388.512 4.013 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000054507038 822891264 /nfs/dbraw/zinc/89/12/64/822891264.db2.gz GVRLYKFEMSQWOK-UHFFFAOYSA-N 1 2 397.866 4.001 20 0 GIADLO CCCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](C)c1cc2ccccc2o1 ZINC000054541788 822894119 /nfs/dbraw/zinc/89/41/19/822894119.db2.gz YCWRJIJGSBIOPN-QGZVFWFLSA-N 1 2 387.524 4.026 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cccc(-c2ccncc2)c1 ZINC000186436128 822895237 /nfs/dbraw/zinc/89/52/37/822895237.db2.gz YGHRRBOHCRUBGA-QGZVFWFLSA-N 1 2 385.471 4.297 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c2ccccc12 ZINC000186437411 822895242 /nfs/dbraw/zinc/89/52/42/822895242.db2.gz RAVRLFAKYHEVMX-INIZCTEOSA-N 1 2 388.471 4.396 20 0 GIADLO c1sc(COc2ccccc2)nc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186450871 822897823 /nfs/dbraw/zinc/89/78/23/822897823.db2.gz IXQUCNWVKSZOOW-QFIPXVFZSA-N 1 2 378.497 4.354 20 0 GIADLO c1sc(COc2ccccc2)nc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186450871 822897826 /nfs/dbraw/zinc/89/78/26/822897826.db2.gz IXQUCNWVKSZOOW-QFIPXVFZSA-N 1 2 378.497 4.354 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2Cc3ccccc3C[C@@H]2C)C[C@H](C)O1 ZINC000175213054 822905657 /nfs/dbraw/zinc/90/56/57/822905657.db2.gz SPKPPNGICOYTQH-GBESFXJTSA-N 1 2 393.531 4.275 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2Cc3ccccc3C[C@@H]2C)C[C@H](C)O1 ZINC000175213054 822905660 /nfs/dbraw/zinc/90/56/60/822905660.db2.gz SPKPPNGICOYTQH-GBESFXJTSA-N 1 2 393.531 4.275 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000457687645 822906702 /nfs/dbraw/zinc/90/67/02/822906702.db2.gz AZIODGJTIGZGBL-VMDBXTETSA-N 1 2 378.385 4.037 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000457687645 822906707 /nfs/dbraw/zinc/90/67/07/822906707.db2.gz AZIODGJTIGZGBL-VMDBXTETSA-N 1 2 378.385 4.037 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457698379 822908356 /nfs/dbraw/zinc/90/83/56/822908356.db2.gz FRYZRPWQFTYLQA-RGYTYGDFSA-N 1 2 376.850 4.412 20 0 GIADLO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457698379 822908358 /nfs/dbraw/zinc/90/83/58/822908358.db2.gz FRYZRPWQFTYLQA-RGYTYGDFSA-N 1 2 376.850 4.412 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000175241450 822912030 /nfs/dbraw/zinc/91/20/30/822912030.db2.gz WEBKVCRMDNOWLX-LJQANCHMSA-N 1 2 380.536 4.399 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054807783 822914627 /nfs/dbraw/zinc/91/46/27/822914627.db2.gz ZGCWDTTVPVLRHY-UHFFFAOYSA-N 1 2 399.922 4.037 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054807783 822914628 /nfs/dbraw/zinc/91/46/28/822914628.db2.gz ZGCWDTTVPVLRHY-UHFFFAOYSA-N 1 2 399.922 4.037 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457754354 822915028 /nfs/dbraw/zinc/91/50/28/822915028.db2.gz FSBIFFSXQAXVMS-OAHLLOKOSA-N 1 2 396.878 4.281 20 0 GIADLO CN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000457761549 822915900 /nfs/dbraw/zinc/91/59/00/822915900.db2.gz AYXHAZSGXWUFDW-DHIUTWEWSA-N 1 2 388.515 4.409 20 0 GIADLO CC(=O)Nc1cccc(-n2c(SCc3ccc(C)[nH+]c3C)nnc2C2CC2)c1 ZINC000186584535 822917578 /nfs/dbraw/zinc/91/75/78/822917578.db2.gz AXYLWYHDMUNMCJ-UHFFFAOYSA-N 1 2 393.516 4.407 20 0 GIADLO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457778860 822918724 /nfs/dbraw/zinc/91/87/24/822918724.db2.gz TTZRMNXYTHNYGM-SELNLUPBSA-N 1 2 388.515 4.408 20 0 GIADLO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cnn(Cc2ccccc2)c1 ZINC000186635574 822927236 /nfs/dbraw/zinc/92/72/36/822927236.db2.gz PGRWNSVFABFANL-UZUQRXQVSA-N 1 2 389.478 4.244 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC(c2ccsc2)CC1 ZINC000186643410 822928608 /nfs/dbraw/zinc/92/86/08/822928608.db2.gz CDXWXKUUXQAGGJ-UHFFFAOYSA-N 1 2 394.544 4.125 20 0 GIADLO C[C@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1cccc(F)c1 ZINC000175299658 822928701 /nfs/dbraw/zinc/92/87/01/822928701.db2.gz XQXWHOQOMDEUHI-JTSKRJEESA-N 1 2 392.478 4.363 20 0 GIADLO Cc1ccc([C@H](OC[C@@H](O)C[N@@H+](C)Cc2nccs2)c2ccccc2)cc1 ZINC000175302002 822929319 /nfs/dbraw/zinc/92/93/19/822929319.db2.gz VNQVFWQOVPYTHB-RBBKRZOGSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1ccc([C@H](OC[C@@H](O)C[N@H+](C)Cc2nccs2)c2ccccc2)cc1 ZINC000175302002 822929323 /nfs/dbraw/zinc/92/93/23/822929323.db2.gz VNQVFWQOVPYTHB-RBBKRZOGSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1csc(Nc2ccc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2)n1 ZINC000569515708 822932815 /nfs/dbraw/zinc/93/28/15/822932815.db2.gz TXKNXHRGANNNMI-RDTXWAMCSA-N 1 2 381.505 4.115 20 0 GIADLO O=C(C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccc(SC(F)F)cc1 ZINC000186682396 822936557 /nfs/dbraw/zinc/93/65/57/822936557.db2.gz DJCOPJLCLHNBIZ-FQEVSTJZSA-N 1 2 390.455 4.071 20 0 GIADLO O=C(C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccc(SC(F)F)cc1 ZINC000186682396 822936561 /nfs/dbraw/zinc/93/65/61/822936561.db2.gz DJCOPJLCLHNBIZ-FQEVSTJZSA-N 1 2 390.455 4.071 20 0 GIADLO Fc1ccc(OCc2noc(C[NH+]3CCC(COc4ccccc4)CC3)n2)cc1 ZINC000055081373 822936746 /nfs/dbraw/zinc/93/67/46/822936746.db2.gz SNQGFPCAMUAWGD-UHFFFAOYSA-N 1 2 397.450 4.079 20 0 GIADLO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ncc(Br)s1)CCO2 ZINC000186691982 822938256 /nfs/dbraw/zinc/93/82/56/822938256.db2.gz ONBXWSQYRCLBPF-ZWNOBZJWSA-N 1 2 383.311 4.479 20 0 GIADLO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)CCO2 ZINC000186698640 822939802 /nfs/dbraw/zinc/93/98/02/822939802.db2.gz WJJPISZSBMCECT-IRLDBZIGSA-N 1 2 381.451 4.161 20 0 GIADLO C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000569584931 822942348 /nfs/dbraw/zinc/94/23/48/822942348.db2.gz ZXOFDGVSRGYGHE-LSDHHAIUSA-N 1 2 383.879 4.390 20 0 GIADLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000569627355 822946809 /nfs/dbraw/zinc/94/68/09/822946809.db2.gz NBCBHXJNMBPPRG-NEPJUHHUSA-N 1 2 383.439 4.253 20 0 GIADLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000569627355 822946813 /nfs/dbraw/zinc/94/68/13/822946813.db2.gz NBCBHXJNMBPPRG-NEPJUHHUSA-N 1 2 383.439 4.253 20 0 GIADLO Cc1[nH]c2ccc(NC(=O)Cc3csc(COc4ccc(C)cc4)n3)cc2[nH+]1 ZINC000055229982 822946989 /nfs/dbraw/zinc/94/69/89/822946989.db2.gz NLXWCFYXRXZDEL-UHFFFAOYSA-N 1 2 392.484 4.396 20 0 GIADLO Cc1nc(-c2ccco2)ccc1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000569627732 822947132 /nfs/dbraw/zinc/94/71/32/822947132.db2.gz UIOLXQDLLYHREO-UHFFFAOYSA-N 1 2 392.846 4.419 20 0 GIADLO C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000175364400 822947254 /nfs/dbraw/zinc/94/72/54/822947254.db2.gz PEFFGVCKWONLTI-KSFYIVLOSA-N 1 2 392.478 4.193 20 0 GIADLO CC(C)OCCCN(C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000569652571 822950509 /nfs/dbraw/zinc/95/05/09/822950509.db2.gz HHZMTSIVXCFHKV-GOSISDBHSA-N 1 2 399.938 4.073 20 0 GIADLO CC1(C)C[C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c2ccc(F)cc2O1 ZINC000569687800 822955357 /nfs/dbraw/zinc/95/53/57/822955357.db2.gz RRKGOURHINUAOW-OALUTQOASA-N 1 2 393.462 4.489 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc2ccccc2c1O ZINC000175415303 822963491 /nfs/dbraw/zinc/96/34/91/822963491.db2.gz MIWHNSOGULTKIN-UHFFFAOYSA-N 1 2 389.499 4.319 20 0 GIADLO CCOC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@H]1c1cccc(C)n1)n2CC ZINC000569764286 822965371 /nfs/dbraw/zinc/96/53/71/822965371.db2.gz SULGQYYXBPZZBM-FQEVSTJZSA-N 1 2 392.503 4.273 20 0 GIADLO CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@H]1c1cccc(C)n1)n2CC ZINC000569764286 822965373 /nfs/dbraw/zinc/96/53/73/822965373.db2.gz SULGQYYXBPZZBM-FQEVSTJZSA-N 1 2 392.503 4.273 20 0 GIADLO CCn1c[nH+]cc1CN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000569793852 822970050 /nfs/dbraw/zinc/97/00/50/822970050.db2.gz LVXOSDHOFMIGQR-QGZVFWFLSA-N 1 2 381.307 4.203 20 0 GIADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000569874737 822979043 /nfs/dbraw/zinc/97/90/43/822979043.db2.gz AJNDJSBPVRISNS-DOTOQJQBSA-N 1 2 399.362 4.028 20 0 GIADLO CC(C)(C)c1nnsc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000569878990 822979842 /nfs/dbraw/zinc/97/98/42/822979842.db2.gz BQGAPRIPIAGRPW-OAHLLOKOSA-N 1 2 392.956 4.056 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000186931016 822982320 /nfs/dbraw/zinc/98/23/20/822982320.db2.gz HPWQCUDBAIABFI-QHCPKHFHSA-N 1 2 378.447 4.470 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000186931016 822982322 /nfs/dbraw/zinc/98/23/22/822982322.db2.gz HPWQCUDBAIABFI-QHCPKHFHSA-N 1 2 378.447 4.470 20 0 GIADLO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000186941431 822983972 /nfs/dbraw/zinc/98/39/72/822983972.db2.gz QUMQVRWEECMCMW-QWRGUYRKSA-N 1 2 383.261 4.412 20 0 GIADLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000186962692 822988123 /nfs/dbraw/zinc/98/81/23/822988123.db2.gz SDSDPMFJFRAQBW-QWRGUYRKSA-N 1 2 380.261 4.353 20 0 GIADLO Cc1nc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)sc1C(F)(F)F ZINC000569943521 822988357 /nfs/dbraw/zinc/98/83/57/822988357.db2.gz MTDYMUVTXKGBTM-UHFFFAOYSA-N 1 2 399.442 4.177 20 0 GIADLO C[C@@H](CC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21)n1cc[nH+]c1 ZINC000569978034 822992284 /nfs/dbraw/zinc/99/22/84/822992284.db2.gz VOUIGZGXAMZNGQ-SWLSCSKDSA-N 1 2 394.338 4.292 20 0 GIADLO Cc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(OC[C@H]2CCCO2)c1 ZINC000055654343 822994329 /nfs/dbraw/zinc/99/43/29/822994329.db2.gz DLSDPMWARQUVAY-HXUWFJFHSA-N 1 2 391.471 4.050 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H](c2cncc(Br)c2)C2CC2)c(C)[nH+]1 ZINC000570019820 822997958 /nfs/dbraw/zinc/99/79/58/822997958.db2.gz KZAOXKNOMVEXDC-KRWDZBQOSA-N 1 2 389.297 4.437 20 0 GIADLO C[C@@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[C@H]1c1ccccc1 ZINC000175563065 822998192 /nfs/dbraw/zinc/99/81/92/822998192.db2.gz ZMNURVTUOURQFN-AUSIDOKSSA-N 1 2 388.515 4.267 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000175568037 822999218 /nfs/dbraw/zinc/99/92/18/822999218.db2.gz SRTLTSRBROAXSZ-UHFFFAOYSA-N 1 2 377.488 4.150 20 0 GIADLO CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000055696149 823000092 /nfs/dbraw/zinc/00/00/92/823000092.db2.gz CPQLIILFHOOXRC-UHFFFAOYSA-N 1 2 392.459 4.149 20 0 GIADLO Clc1ccc(-c2noc(CC[N@@H+]3CCSC[C@@H]3c3nccs3)n2)cc1 ZINC000187027547 823000123 /nfs/dbraw/zinc/00/01/23/823000123.db2.gz RBCQZVAUEWLCHZ-CQSZACIVSA-N 1 2 392.937 4.179 20 0 GIADLO Clc1ccc(-c2noc(CC[N@H+]3CCSC[C@@H]3c3nccs3)n2)cc1 ZINC000187027547 823000127 /nfs/dbraw/zinc/00/01/27/823000127.db2.gz RBCQZVAUEWLCHZ-CQSZACIVSA-N 1 2 392.937 4.179 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(-c2ccccc2Cl)on1 ZINC000055696253 823000303 /nfs/dbraw/zinc/00/03/03/823000303.db2.gz GWFCNFBYAHNWKY-UHFFFAOYSA-N 1 2 378.819 4.111 20 0 GIADLO O[C@@H](C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1Cl ZINC000187052292 823004145 /nfs/dbraw/zinc/00/41/45/823004145.db2.gz FIHAGBNIEQTSFA-NSHDSACASA-N 1 2 379.703 4.329 20 0 GIADLO O[C@@H](C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1Cl ZINC000187052292 823004149 /nfs/dbraw/zinc/00/41/49/823004149.db2.gz FIHAGBNIEQTSFA-NSHDSACASA-N 1 2 379.703 4.329 20 0 GIADLO C[C@H](c1nnc(S[C@@H]2CCO[C@H](C)C2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000570176446 823012466 /nfs/dbraw/zinc/01/24/66/823012466.db2.gz OPGBYRCPUDBUAF-ZHALLVOQSA-N 1 2 386.565 4.474 20 0 GIADLO CCc1ccc([C@@H](NC(=O)C[N@@H+]2CCC(F)(F)[C@H](C)C2)c2cccs2)cc1 ZINC000570219261 823016175 /nfs/dbraw/zinc/01/61/75/823016175.db2.gz JSCDQZFLMLTQFH-FOIQADDNSA-N 1 2 392.515 4.493 20 0 GIADLO CCc1ccc([C@@H](NC(=O)C[N@H+]2CCC(F)(F)[C@H](C)C2)c2cccs2)cc1 ZINC000570219261 823016177 /nfs/dbraw/zinc/01/61/77/823016177.db2.gz JSCDQZFLMLTQFH-FOIQADDNSA-N 1 2 392.515 4.493 20 0 GIADLO COCc1cccc(-c2noc([C@@H](c3ccccc3)[NH+]3CCSCC3)n2)c1 ZINC000570268448 823021109 /nfs/dbraw/zinc/02/11/09/823021109.db2.gz FDDOBWKOBOTLIE-LJQANCHMSA-N 1 2 381.501 4.021 20 0 GIADLO C[C@@H](NC(=O)CC1CCCCC1)c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000570371842 823030775 /nfs/dbraw/zinc/03/07/75/823030775.db2.gz WFFKUCWSMSTTCL-OAHLLOKOSA-N 1 2 379.464 4.070 20 0 GIADLO CC(=O)N(c1nc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cs1)C1CC1 ZINC000175751102 823031605 /nfs/dbraw/zinc/03/16/05/823031605.db2.gz LXITWRCAPIKSHS-NSHDSACASA-N 1 2 399.438 4.408 20 0 GIADLO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187274525 823035019 /nfs/dbraw/zinc/03/50/19/823035019.db2.gz ANJHNXPUWGAXQY-HXUWFJFHSA-N 1 2 388.458 4.374 20 0 GIADLO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187274525 823035021 /nfs/dbraw/zinc/03/50/21/823035021.db2.gz ANJHNXPUWGAXQY-HXUWFJFHSA-N 1 2 388.458 4.374 20 0 GIADLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000187278967 823035838 /nfs/dbraw/zinc/03/58/38/823035838.db2.gz IECSCKXMMUGAMO-LBPRGKRZSA-N 1 2 385.888 4.132 20 0 GIADLO C[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000570445624 823039710 /nfs/dbraw/zinc/03/97/10/823039710.db2.gz CFWQSRSRZGSEJF-CZAAIQMYSA-N 1 2 393.462 4.059 20 0 GIADLO C[C@@H]1CCN(C(=O)c2occc2CSc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000123832001 823544046 /nfs/dbraw/zinc/54/40/46/823544046.db2.gz VESPSZBWBLAIIX-APWZRJJASA-N 1 2 381.501 4.492 20 0 GIADLO Cc1cc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc[nH+]1 ZINC000123837718 823544428 /nfs/dbraw/zinc/54/44/28/823544428.db2.gz XUHZXHQYUAKAQG-UHFFFAOYSA-N 1 2 397.544 4.431 20 0 GIADLO COc1ccccc1-c1ccc(C[N@@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190158692 823544474 /nfs/dbraw/zinc/54/44/74/823544474.db2.gz FRSYGTAPDDZBBK-UYAOXDASSA-N 1 2 379.460 4.016 20 0 GIADLO COc1ccccc1-c1ccc(C[N@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190158692 823544475 /nfs/dbraw/zinc/54/44/75/823544475.db2.gz FRSYGTAPDDZBBK-UYAOXDASSA-N 1 2 379.460 4.016 20 0 GIADLO C/C(=C/C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000123846005 823545264 /nfs/dbraw/zinc/54/52/64/823545264.db2.gz IXKMXXGXOCKJJG-RQIGNHDYSA-N 1 2 377.410 4.415 20 0 GIADLO Cc1nc(CC2CC2)sc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000190177887 823546963 /nfs/dbraw/zinc/54/69/63/823546963.db2.gz ZSLITOSPVSBUMD-UHFFFAOYSA-N 1 2 376.551 4.099 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCCc4c(O)cccc43)n2)C1 ZINC000190178003 823546994 /nfs/dbraw/zinc/54/69/94/823546994.db2.gz BXJPJYKQFZWPMY-RDTXWAMCSA-N 1 2 385.533 4.139 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCCc4c(O)cccc43)n2)C1 ZINC000190178003 823546995 /nfs/dbraw/zinc/54/69/95/823546995.db2.gz BXJPJYKQFZWPMY-RDTXWAMCSA-N 1 2 385.533 4.139 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)c(C)[nH+]1 ZINC000411204004 823557287 /nfs/dbraw/zinc/55/72/87/823557287.db2.gz UDNPQMCIAONZES-CQSZACIVSA-N 1 2 393.409 4.184 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H](c2ccccc2Cl)C(C)C)c(C)[nH+]1 ZINC000411218271 823558153 /nfs/dbraw/zinc/55/81/53/823558153.db2.gz BSCDZCJAFKWPTA-IBGZPJMESA-N 1 2 387.911 4.454 20 0 GIADLO Cc1nn(-c2ccc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)c(C)c1Cl ZINC000123994697 823558374 /nfs/dbraw/zinc/55/83/74/823558374.db2.gz USKRHPQXMSZJTD-LIRRHRJNSA-N 1 2 397.910 4.062 20 0 GIADLO COc1cc(Cl)c(F)c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000411246394 823560177 /nfs/dbraw/zinc/56/01/77/823560177.db2.gz YEYCIBUYUUMXQP-UHFFFAOYSA-N 1 2 383.876 4.182 20 0 GIADLO COc1cc(F)c([C@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)cc1OC ZINC000190324040 823562829 /nfs/dbraw/zinc/56/28/29/823562829.db2.gz WXFLWBGEQSRMMI-LBPRGKRZSA-N 1 2 391.393 4.158 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000060881707 823564415 /nfs/dbraw/zinc/56/44/15/823564415.db2.gz QZYMNIUIMHFSHJ-UHFFFAOYSA-N 1 2 379.551 4.361 20 0 GIADLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cn1ncn(CCc2ccccn2)c1=S ZINC000190398196 823569163 /nfs/dbraw/zinc/56/91/63/823569163.db2.gz ZYDKXUWGRRTMQY-UHFFFAOYSA-N 1 2 392.532 4.013 20 0 GIADLO CC[N@H+](Cc1c[nH]c2ccccc12)Cn1ncn(CCc2ccccn2)c1=S ZINC000190398196 823569166 /nfs/dbraw/zinc/56/91/66/823569166.db2.gz ZYDKXUWGRRTMQY-UHFFFAOYSA-N 1 2 392.532 4.013 20 0 GIADLO Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2nc(-c3cccs3)cs2)sc1C ZINC000411393509 823569447 /nfs/dbraw/zinc/56/94/47/823569447.db2.gz WVYOUPHAUMTINY-UHFFFAOYSA-N 1 2 392.575 4.408 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000411430997 823573339 /nfs/dbraw/zinc/57/33/39/823573339.db2.gz SJIAKNOCBAYXHD-GOEBONIOSA-N 1 2 387.911 4.249 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000411431282 823573556 /nfs/dbraw/zinc/57/35/56/823573556.db2.gz ZRJIOHJAPWTSBJ-UHFFFAOYSA-N 1 2 394.500 4.087 20 0 GIADLO Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000411432791 823573582 /nfs/dbraw/zinc/57/35/82/823573582.db2.gz VJBCETKIXBMMFY-WOJBJXKFSA-N 1 2 379.504 4.048 20 0 GIADLO O=C(CC1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1)N1CCCC1 ZINC000061048071 823575282 /nfs/dbraw/zinc/57/52/82/823575282.db2.gz VTFMVEVRHIEQPM-UHFFFAOYSA-N 1 2 375.582 4.415 20 0 GIADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCSc4ccccc43)CC2)s1 ZINC000461096723 823576211 /nfs/dbraw/zinc/57/62/11/823576211.db2.gz ZOKLGPQJXNMQKT-IBGZPJMESA-N 1 2 386.586 4.234 20 0 GIADLO O=C([C@@H]1Cc2ccccc21)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000461097860 823576469 /nfs/dbraw/zinc/57/64/69/823576469.db2.gz HABLVJYMFKUSQO-GOSISDBHSA-N 1 2 397.881 4.434 20 0 GIADLO c1sc(-c2ccccn2)nc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000124201980 823576894 /nfs/dbraw/zinc/57/68/94/823576894.db2.gz WDCLWXGDFVGXAK-SFHVURJKSA-N 1 2 379.485 4.313 20 0 GIADLO c1sc(-c2ccccn2)nc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000124201980 823576897 /nfs/dbraw/zinc/57/68/97/823576897.db2.gz WDCLWXGDFVGXAK-SFHVURJKSA-N 1 2 379.485 4.313 20 0 GIADLO CC(C)c1ccc(-c2ncc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)s2)cc1 ZINC000124222778 823578739 /nfs/dbraw/zinc/57/87/39/823578739.db2.gz OMRPXWLALJJTOU-UHFFFAOYSA-N 1 2 380.579 4.189 20 0 GIADLO CC(C)c1ccc(-c2ncc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)s2)cc1 ZINC000124222778 823578742 /nfs/dbraw/zinc/57/87/42/823578742.db2.gz OMRPXWLALJJTOU-UHFFFAOYSA-N 1 2 380.579 4.189 20 0 GIADLO Cc1cccc(C)c1OC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccccc1 ZINC000411471072 823578758 /nfs/dbraw/zinc/57/87/58/823578758.db2.gz FBRQUEUJEQWWFO-HXUWFJFHSA-N 1 2 399.512 4.210 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCc3c(F)cccc3C2)C[C@H](C)O1 ZINC000124228388 823579325 /nfs/dbraw/zinc/57/93/25/823579325.db2.gz AVMQKGSMBHQGQO-IRXDYDNUSA-N 1 2 397.494 4.025 20 0 GIADLO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000061188246 823582822 /nfs/dbraw/zinc/58/28/22/823582822.db2.gz IWDLFDNHHIDJKA-AQDCRGGLSA-N 1 2 388.515 4.437 20 0 GIADLO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C(F)(F)F)c1nc(C(C)(C)C)no1 ZINC000411524856 823584717 /nfs/dbraw/zinc/58/47/17/823584717.db2.gz APSWMCGREABMLA-LLVKDONJSA-N 1 2 384.402 4.065 20 0 GIADLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000411552549 823587580 /nfs/dbraw/zinc/58/75/80/823587580.db2.gz OBWFRFQINIHPQI-QHCPKHFHSA-N 1 2 389.499 4.094 20 0 GIADLO Cn1cccc1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000411552549 823587583 /nfs/dbraw/zinc/58/75/83/823587583.db2.gz OBWFRFQINIHPQI-QHCPKHFHSA-N 1 2 389.499 4.094 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c(C)[nH+]1 ZINC000411572726 823588749 /nfs/dbraw/zinc/58/87/49/823588749.db2.gz JBKMZXHOBFQZOP-GOSISDBHSA-N 1 2 389.858 4.005 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c(C)[nH+]1 ZINC000411593975 823589717 /nfs/dbraw/zinc/58/97/17/823589717.db2.gz OJGTXGKCFSLRQI-AEFFLSMTSA-N 1 2 385.895 4.051 20 0 GIADLO COc1ccccc1-c1csc(C2CC[NH+]([C@H](C)c3nnc(C)[nH]3)CC2)n1 ZINC000411628633 823592345 /nfs/dbraw/zinc/59/23/45/823592345.db2.gz WPZVWCBKBSTETQ-CYBMUJFWSA-N 1 2 383.521 4.186 20 0 GIADLO Clc1ccc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1Br ZINC000411661214 823595557 /nfs/dbraw/zinc/59/55/57/823595557.db2.gz CUDJSBSSPXXRIY-HNNXBMFYSA-N 1 2 381.701 4.289 20 0 GIADLO Clc1ccc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)cc1Br ZINC000411661214 823595560 /nfs/dbraw/zinc/59/55/60/823595560.db2.gz CUDJSBSSPXXRIY-HNNXBMFYSA-N 1 2 381.701 4.289 20 0 GIADLO CC(=O)CCCCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000124441153 823597139 /nfs/dbraw/zinc/59/71/39/823597139.db2.gz XMEOUYGOQHNBDX-AZUAARDMSA-N 1 2 382.907 4.270 20 0 GIADLO CC(=O)CCCCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000124441153 823597144 /nfs/dbraw/zinc/59/71/44/823597144.db2.gz XMEOUYGOQHNBDX-AZUAARDMSA-N 1 2 382.907 4.270 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1nc(-c2cccnc2)no1 ZINC000124480318 823600264 /nfs/dbraw/zinc/60/02/64/823600264.db2.gz VBVKIJDXAOMOPO-KBPBESRZSA-N 1 2 382.439 4.471 20 0 GIADLO CC1(C)[C@H](O)CC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411744005 823601706 /nfs/dbraw/zinc/60/17/06/823601706.db2.gz JTQANCWRHTUZHJ-CQSZACIVSA-N 1 2 389.908 4.063 20 0 GIADLO CC1(C)[C@H](O)CC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411744005 823601708 /nfs/dbraw/zinc/60/17/08/823601708.db2.gz JTQANCWRHTUZHJ-CQSZACIVSA-N 1 2 389.908 4.063 20 0 GIADLO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000190737518 823603551 /nfs/dbraw/zinc/60/35/51/823603551.db2.gz JHAINBZTKZDZKC-JKSUJKDBSA-N 1 2 386.496 4.095 20 0 GIADLO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000190737518 823603554 /nfs/dbraw/zinc/60/35/54/823603554.db2.gz JHAINBZTKZDZKC-JKSUJKDBSA-N 1 2 386.496 4.095 20 0 GIADLO COCCN(C(C)=O)c1nc(C[N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)cs1 ZINC000124548984 823605457 /nfs/dbraw/zinc/60/54/57/823605457.db2.gz HJEBTKQHSFRWHN-HXUWFJFHSA-N 1 2 387.549 4.178 20 0 GIADLO COCCN(C(C)=O)c1nc(C[N@H+]2CCCC[C@@H]2c2ccc(C)cc2)cs1 ZINC000124548984 823605461 /nfs/dbraw/zinc/60/54/61/823605461.db2.gz HJEBTKQHSFRWHN-HXUWFJFHSA-N 1 2 387.549 4.178 20 0 GIADLO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+]([C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000411799044 823605957 /nfs/dbraw/zinc/60/59/57/823605957.db2.gz YDCBPXUVPYBUJX-RTWAWAEBSA-N 1 2 389.948 4.330 20 0 GIADLO O=S1(=O)CC[C@@]2(C1)CCC[N@H+]([C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000411799044 823605959 /nfs/dbraw/zinc/60/59/59/823605959.db2.gz YDCBPXUVPYBUJX-RTWAWAEBSA-N 1 2 389.948 4.330 20 0 GIADLO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000461266871 823609018 /nfs/dbraw/zinc/60/90/18/823609018.db2.gz XZLJZESABGGUPI-MAUKXSAKSA-N 1 2 393.453 4.238 20 0 GIADLO CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000190792809 823609576 /nfs/dbraw/zinc/60/95/76/823609576.db2.gz AZYXSRVUMQMGBQ-UHFFFAOYSA-N 1 2 396.318 4.459 20 0 GIADLO O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000124611765 823610994 /nfs/dbraw/zinc/61/09/94/823610994.db2.gz LOQPXGGOBBFREX-DEOSSOPVSA-N 1 2 397.478 4.484 20 0 GIADLO FC[C@H]1C[N@H+](Cc2csc(-c3cccc(Br)c3)n2)CCCO1 ZINC000411853926 823611119 /nfs/dbraw/zinc/61/11/19/823611119.db2.gz OFXWXHAADNTKIF-HNNXBMFYSA-N 1 2 385.302 4.133 20 0 GIADLO FC[C@H]1C[N@@H+](Cc2csc(-c3cccc(Br)c3)n2)CCCO1 ZINC000411853926 823611122 /nfs/dbraw/zinc/61/11/22/823611122.db2.gz OFXWXHAADNTKIF-HNNXBMFYSA-N 1 2 385.302 4.133 20 0 GIADLO O=C(c1cccnc1Oc1ccc(Cl)cc1Cl)N1CC[NH+](C2CC2)CC1 ZINC000124654329 823614684 /nfs/dbraw/zinc/61/46/84/823614684.db2.gz AMHFPHHDVJCPKA-UHFFFAOYSA-N 1 2 392.286 4.101 20 0 GIADLO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1nnc(C(C)C)s1)C(C)C ZINC000411992784 823618877 /nfs/dbraw/zinc/61/88/77/823618877.db2.gz ZZMJUGQYSJMQRY-HNNXBMFYSA-N 1 2 395.594 4.034 20 0 GIADLO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1nnc(C(C)C)s1)C(C)C ZINC000411992784 823618880 /nfs/dbraw/zinc/61/88/80/823618880.db2.gz ZZMJUGQYSJMQRY-HNNXBMFYSA-N 1 2 395.594 4.034 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1C ZINC000411995780 823619368 /nfs/dbraw/zinc/61/93/68/823619368.db2.gz FAALKQCUOWGYNR-SBUREZEXSA-N 1 2 394.515 4.259 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1C ZINC000411995780 823619369 /nfs/dbraw/zinc/61/93/69/823619369.db2.gz FAALKQCUOWGYNR-SBUREZEXSA-N 1 2 394.515 4.259 20 0 GIADLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)Cc1occc1C ZINC000412028379 823623395 /nfs/dbraw/zinc/62/33/95/823623395.db2.gz RYEJQYVUMLPXPO-UHFFFAOYSA-N 1 2 397.397 4.026 20 0 GIADLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)Cc1occc1C ZINC000412028379 823623398 /nfs/dbraw/zinc/62/33/98/823623398.db2.gz RYEJQYVUMLPXPO-UHFFFAOYSA-N 1 2 397.397 4.026 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)Cc1occc1C ZINC000412025526 823623425 /nfs/dbraw/zinc/62/34/25/823623425.db2.gz JAUUSJISGVJNCN-UHFFFAOYSA-N 1 2 387.224 4.089 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)Cc1occc1C ZINC000412025526 823623432 /nfs/dbraw/zinc/62/34/32/823623432.db2.gz JAUUSJISGVJNCN-UHFFFAOYSA-N 1 2 387.224 4.089 20 0 GIADLO C[C@@H](C(=O)[C@@H](C#N)c1cnc2ccccc2n1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000190912947 823623521 /nfs/dbraw/zinc/62/35/21/823623521.db2.gz UUFYCODQBBJAGQ-RXVVDRJESA-N 1 2 398.510 4.149 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N(CCc1ccccc1)C1CCCC1 ZINC000124799488 823627219 /nfs/dbraw/zinc/62/72/19/823627219.db2.gz FZUKBAPRWFPXRD-UHFFFAOYSA-N 1 2 392.547 4.247 20 0 GIADLO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000412190990 823634380 /nfs/dbraw/zinc/63/43/80/823634380.db2.gz XSFWPEDFMKGFSP-RKVPGOIHSA-N 1 2 395.425 4.070 20 0 GIADLO O=C(Nc1ccccc1)[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000062422011 823634791 /nfs/dbraw/zinc/63/47/91/823634791.db2.gz VKTCQAVEIZBHSS-DEOSSOPVSA-N 1 2 396.494 4.401 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC1 ZINC000412269879 823641965 /nfs/dbraw/zinc/64/19/65/823641965.db2.gz MBPURJXDGMXNNM-KKSFZXQISA-N 1 2 384.545 4.243 20 0 GIADLO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000412307586 823645037 /nfs/dbraw/zinc/64/50/37/823645037.db2.gz QMAIRYAJSFYXKG-VQTJNVASSA-N 1 2 383.923 4.383 20 0 GIADLO CC1(C)CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[C@@H]1C(F)(F)F ZINC000191092128 823647847 /nfs/dbraw/zinc/64/78/47/823647847.db2.gz DDFDPVMCQARFPT-KRWDZBQOSA-N 1 2 394.441 4.051 20 0 GIADLO C=CC[N@@H+](CC(=O)Nc1ccccc1SC(F)F)Cc1cccc(C#N)c1 ZINC000063300352 823661152 /nfs/dbraw/zinc/66/11/52/823661152.db2.gz YORSZTBKDBHVHQ-UHFFFAOYSA-N 1 2 387.455 4.500 20 0 GIADLO C=CC[N@H+](CC(=O)Nc1ccccc1SC(F)F)Cc1cccc(C#N)c1 ZINC000063300352 823661153 /nfs/dbraw/zinc/66/11/53/823661153.db2.gz YORSZTBKDBHVHQ-UHFFFAOYSA-N 1 2 387.455 4.500 20 0 GIADLO COCC[N@H+](Cc1cccnc1)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000191240281 823662397 /nfs/dbraw/zinc/66/23/97/823662397.db2.gz INGLAEYAYWJXPF-UHFFFAOYSA-N 1 2 382.895 4.149 20 0 GIADLO COCC[N@@H+](Cc1cccnc1)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000191240281 823662399 /nfs/dbraw/zinc/66/23/99/823662399.db2.gz INGLAEYAYWJXPF-UHFFFAOYSA-N 1 2 382.895 4.149 20 0 GIADLO Cc1ccc(-n2ncc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2C(C)C)cc1 ZINC000125291201 823665337 /nfs/dbraw/zinc/66/53/37/823665337.db2.gz WIBVEFGIKAWYSZ-GHTZIAJQSA-N 1 2 391.519 4.224 20 0 GIADLO COc1cc(Cl)c(Cl)cc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000191268653 823665648 /nfs/dbraw/zinc/66/56/48/823665648.db2.gz DYZLDQBVQUMQOU-GFCCVEGCSA-N 1 2 397.306 4.222 20 0 GIADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000125309030 823666697 /nfs/dbraw/zinc/66/66/97/823666697.db2.gz RILQLPQBGVSJTF-DYESRHJHSA-N 1 2 392.478 4.158 20 0 GIADLO Clc1ccc(Cc2nc(CN3CC[NH+](Cc4cccnc4)CC3)cs2)cc1 ZINC000125310639 823666879 /nfs/dbraw/zinc/66/68/79/823666879.db2.gz REMGPEGOENMOGD-UHFFFAOYSA-N 1 2 398.963 4.100 20 0 GIADLO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000125353186 823669977 /nfs/dbraw/zinc/66/99/77/823669977.db2.gz FSKWKPZJXMHLJV-SFHVURJKSA-N 1 2 380.536 4.335 20 0 GIADLO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000125353379 823670001 /nfs/dbraw/zinc/67/00/01/823670001.db2.gz FSKWKPZJXMHLJV-GOSISDBHSA-N 1 2 380.536 4.335 20 0 GIADLO CC(C)(C)n1cc(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)nn1 ZINC000191314648 823670627 /nfs/dbraw/zinc/67/06/27/823670627.db2.gz FOHRWBAIXVLJKN-UHFFFAOYSA-N 1 2 378.520 4.007 20 0 GIADLO CC(C)(C)n1cc(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)nn1 ZINC000191314648 823670628 /nfs/dbraw/zinc/67/06/28/823670628.db2.gz FOHRWBAIXVLJKN-UHFFFAOYSA-N 1 2 378.520 4.007 20 0 GIADLO Cc1ccc([C@H]2CCCN2C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000063616312 823683598 /nfs/dbraw/zinc/68/35/98/823683598.db2.gz ZBELSXUEGLIILR-OAQYLSRUSA-N 1 2 378.520 4.214 20 0 GIADLO Cc1nc2cc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)ccc2n1-c1ccccc1 ZINC000125543662 823684039 /nfs/dbraw/zinc/68/40/39/823684039.db2.gz DXCVFQATRXOTAU-HXOBKFHXSA-N 1 2 399.498 4.254 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCOc2cccc(Cl)c2)n1 ZINC000191451716 823686702 /nfs/dbraw/zinc/68/67/02/823686702.db2.gz GTARAEOEOIZIRZ-MRXNPFEDSA-N 1 2 380.897 4.189 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCOc2cccc(Cl)c2)n1 ZINC000191451716 823686703 /nfs/dbraw/zinc/68/67/03/823686703.db2.gz GTARAEOEOIZIRZ-MRXNPFEDSA-N 1 2 380.897 4.189 20 0 GIADLO CCCn1c(C)nnc1C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191457417 823687429 /nfs/dbraw/zinc/68/74/29/823687429.db2.gz ZOKXIVUWWHPGRJ-UHFFFAOYSA-N 1 2 377.330 4.171 20 0 GIADLO CCCn1c(C)nnc1C[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191457417 823687432 /nfs/dbraw/zinc/68/74/32/823687432.db2.gz ZOKXIVUWWHPGRJ-UHFFFAOYSA-N 1 2 377.330 4.171 20 0 GIADLO Fc1ccc(F)c2c1OCC[C@H]2Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000461740969 823690137 /nfs/dbraw/zinc/69/01/37/823690137.db2.gz CLMCGSYTYHHRGQ-MRXNPFEDSA-N 1 2 379.370 4.029 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](Cc1cccnc1)C(C)C ZINC000125658927 823694425 /nfs/dbraw/zinc/69/44/25/823694425.db2.gz RJFYLGGAUNBPDT-UHFFFAOYSA-N 1 2 391.519 4.042 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](Cc1cccnc1)C(C)C ZINC000125658927 823694426 /nfs/dbraw/zinc/69/44/26/823694426.db2.gz RJFYLGGAUNBPDT-UHFFFAOYSA-N 1 2 391.519 4.042 20 0 GIADLO Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Oc1ccncc1 ZINC000125669092 823695115 /nfs/dbraw/zinc/69/51/15/823695115.db2.gz IRLQXRAWQAPPNO-UZLBHIALSA-N 1 2 376.460 4.102 20 0 GIADLO CC1(C)C[C@@H](Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)CCO1 ZINC000412979231 823696333 /nfs/dbraw/zinc/69/63/33/823696333.db2.gz CMHJNSSIOZFHSX-SFHVURJKSA-N 1 2 386.565 4.303 20 0 GIADLO CC(C)OCCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000125705747 823698487 /nfs/dbraw/zinc/69/84/87/823698487.db2.gz YYEUOCCMNSGCPK-CQSZACIVSA-N 1 2 382.961 4.451 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)n2)c1 ZINC000191564138 823700338 /nfs/dbraw/zinc/70/03/38/823700338.db2.gz GLJJCCPMBWXVQL-CYBMUJFWSA-N 1 2 393.422 4.125 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)c1nc(C(C)(C)C)no1 ZINC000191568141 823701381 /nfs/dbraw/zinc/70/13/81/823701381.db2.gz SOAORTXJZJQJMT-UONOGXRCSA-N 1 2 392.931 4.108 20 0 GIADLO CCc1sc(-c2nnc(C[NH+]3CCC(Oc4ncccc4C)CC3)o2)cc1C ZINC000574321408 823702215 /nfs/dbraw/zinc/70/22/15/823702215.db2.gz COBIUILQJYJGPK-UHFFFAOYSA-N 1 2 398.532 4.416 20 0 GIADLO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000574360917 823708426 /nfs/dbraw/zinc/70/84/26/823708426.db2.gz FKNBCJQDUGWQDU-MLCYQJTMSA-N 1 2 379.357 4.343 20 0 GIADLO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000574360994 823708459 /nfs/dbraw/zinc/70/84/59/823708459.db2.gz FKNBCJQDUGWQDU-XTZNXHDOSA-N 1 2 379.357 4.343 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2cnc(-c3ccccc3)nc2)no1)c1cccc(Cl)c1 ZINC000574364716 823709410 /nfs/dbraw/zinc/70/94/10/823709410.db2.gz KNURKILVTZTFKL-GOSISDBHSA-N 1 2 391.862 4.498 20 0 GIADLO CCCC(=O)NC[C@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1 ZINC000413113617 823709549 /nfs/dbraw/zinc/70/95/49/823709549.db2.gz SBARTPSENAWXHS-CQSZACIVSA-N 1 2 390.325 4.130 20 0 GIADLO CCCN(C)c1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000063939748 823716237 /nfs/dbraw/zinc/71/62/37/823716237.db2.gz QYNNDQIWJLXPNN-UHFFFAOYSA-N 1 2 378.476 4.061 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)C[C@H]1n1cc[nH+]c1 ZINC000125824903 823720794 /nfs/dbraw/zinc/72/07/94/823720794.db2.gz NREKTDHUKNBDDC-DYESRHJHSA-N 1 2 394.519 4.125 20 0 GIADLO CCO[C@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000413176042 823721424 /nfs/dbraw/zinc/72/14/24/823721424.db2.gz KIPZMVCPXPABCP-SVMVAKDDSA-N 1 2 382.504 4.012 20 0 GIADLO CCO[C@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000413176042 823721427 /nfs/dbraw/zinc/72/14/27/823721427.db2.gz KIPZMVCPXPABCP-SVMVAKDDSA-N 1 2 382.504 4.012 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C[C@H](C)O1 ZINC000413183890 823723298 /nfs/dbraw/zinc/72/32/98/823723298.db2.gz WFQWMYMDBKUJEJ-RFZFDZAKSA-N 1 2 378.516 4.428 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C[C@H](C)O1 ZINC000413183890 823723307 /nfs/dbraw/zinc/72/33/07/823723307.db2.gz WFQWMYMDBKUJEJ-RFZFDZAKSA-N 1 2 378.516 4.428 20 0 GIADLO COC(=O)[C@H](N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)c1ccsc1 ZINC000574416410 823723985 /nfs/dbraw/zinc/72/39/85/823723985.db2.gz OTYHKBNBZNONAN-GUDVDZBRSA-N 1 2 394.487 4.054 20 0 GIADLO COC(=O)[C@H](N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)c1ccsc1 ZINC000574416410 823723988 /nfs/dbraw/zinc/72/39/88/823723988.db2.gz OTYHKBNBZNONAN-GUDVDZBRSA-N 1 2 394.487 4.054 20 0 GIADLO CC1(C)C[C@@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c2ccccc2O1 ZINC000413216057 823729759 /nfs/dbraw/zinc/72/97/59/823729759.db2.gz BMMHBBJXTDXKKG-GOSISDBHSA-N 1 2 391.471 4.246 20 0 GIADLO CC(C)c1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000574475700 823740413 /nfs/dbraw/zinc/74/04/13/823740413.db2.gz MEOOOBLELVIOIW-FQEVSTJZSA-N 1 2 390.487 4.150 20 0 GIADLO O[C@H]([C@H]1CCCN(c2[nH+]ccc3cc(Br)ccc32)C1)C(F)(F)F ZINC000413267456 823741816 /nfs/dbraw/zinc/74/18/16/823741816.db2.gz POCBOUCADBJUCU-SMDDNHRTSA-N 1 2 389.215 4.137 20 0 GIADLO C[NH+](C)[C@@H](c1nc(Cc2coc(-c3ccc(F)cc3)n2)no1)c1ccccc1 ZINC000574484397 823743289 /nfs/dbraw/zinc/74/32/89/823743289.db2.gz VASMCLZKTSCSSL-LJQANCHMSA-N 1 2 378.407 4.106 20 0 GIADLO COCCC[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000574540992 823759843 /nfs/dbraw/zinc/75/98/43/823759843.db2.gz IQPOGDQIVAFHPC-LJQANCHMSA-N 1 2 397.906 4.466 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccccc1Br ZINC000191775180 823763530 /nfs/dbraw/zinc/76/35/30/823763530.db2.gz TVTLIMZUZCOWKG-UHFFFAOYSA-N 1 2 379.302 4.152 20 0 GIADLO C[C@H]1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000126003172 823764023 /nfs/dbraw/zinc/76/40/23/823764023.db2.gz LDESNCIWQOVPID-WMLDXEAASA-N 1 2 377.410 4.043 20 0 GIADLO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000191807848 823776158 /nfs/dbraw/zinc/77/61/58/823776158.db2.gz CZBDJQJIGLZTCH-AWEZNQCLSA-N 1 2 385.851 4.192 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000126101219 823787648 /nfs/dbraw/zinc/78/76/48/823787648.db2.gz AOWZYHALQGGEPT-SBUREZEXSA-N 1 2 397.482 4.217 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000126100959 823787671 /nfs/dbraw/zinc/78/76/71/823787671.db2.gz AOWZYHALQGGEPT-HXOBKFHXSA-N 1 2 397.482 4.217 20 0 GIADLO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2Cl)c1)c1nnnn1C1CC1 ZINC000191833156 823790443 /nfs/dbraw/zinc/79/04/43/823790443.db2.gz IVPXODXLOXFLLO-AWEZNQCLSA-N 1 2 383.883 4.091 20 0 GIADLO CCn1cc([C@@H]2OCC[C@H]2CNc2[nH+]cccc2OCc2ccccc2)cn1 ZINC000413515774 823790414 /nfs/dbraw/zinc/79/04/14/823790414.db2.gz OVMAGFXGACVAFH-GHTZIAJQSA-N 1 2 378.476 4.067 20 0 GIADLO CCn1ccnc1C[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000191836585 823791476 /nfs/dbraw/zinc/79/14/76/823791476.db2.gz ZKQDENUCMMAXIL-UHFFFAOYSA-N 1 2 382.533 4.415 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000191864114 823798435 /nfs/dbraw/zinc/79/84/35/823798435.db2.gz BLOSSRLBWGVNPX-UHFFFAOYSA-N 1 2 384.402 4.130 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000126144038 823798912 /nfs/dbraw/zinc/79/89/12/823798912.db2.gz DMTVKMGWPGHHES-UHFFFAOYSA-N 1 2 397.906 4.074 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000126154395 823801402 /nfs/dbraw/zinc/80/14/02/823801402.db2.gz URYVFEQQCHNZFE-MOPGFXCFSA-N 1 2 384.907 4.223 20 0 GIADLO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCCNc1cccc[nH+]1 ZINC000462028832 823802131 /nfs/dbraw/zinc/80/21/31/823802131.db2.gz GMFMHAPZOJRRDN-IBGZPJMESA-N 1 2 375.900 4.147 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(F)ccc1OC(C)C ZINC000191885893 823804067 /nfs/dbraw/zinc/80/40/67/823804067.db2.gz IITXLGNBLWHWRZ-UHFFFAOYSA-N 1 2 376.476 4.316 20 0 GIADLO COc1ccccc1CC(C)(C)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000126171794 823804989 /nfs/dbraw/zinc/80/49/89/823804989.db2.gz XTVUCYAASLQSQE-UHFFFAOYSA-N 1 2 396.531 4.043 20 0 GIADLO COC(=O)C[C@@](C)([NH2+]Cc1csc(-c2ccc(C)cc2)n1)c1ccncc1 ZINC000191903602 823808158 /nfs/dbraw/zinc/80/81/58/823808158.db2.gz ZKBIAMHFWPJFRU-OAQYLSRUSA-N 1 2 381.501 4.082 20 0 GIADLO OC[C@@]1(F)C[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1c1ccccc1 ZINC000574721441 823808950 /nfs/dbraw/zinc/80/89/50/823808950.db2.gz WKLWVHTWUGUBMR-NQIIRXRSSA-N 1 2 386.854 4.295 20 0 GIADLO OC[C@@]1(F)C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1c1ccccc1 ZINC000574721441 823808955 /nfs/dbraw/zinc/80/89/55/823808955.db2.gz WKLWVHTWUGUBMR-NQIIRXRSSA-N 1 2 386.854 4.295 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccccc1CC(F)(F)F ZINC000191906153 823809466 /nfs/dbraw/zinc/80/94/66/823809466.db2.gz GVNWMULZYWKPDM-UHFFFAOYSA-N 1 2 382.430 4.494 20 0 GIADLO CC[C@]1(CO)CCC[N@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000574724309 823809973 /nfs/dbraw/zinc/80/99/73/823809973.db2.gz DTQBNQHSNNXFKS-HNNXBMFYSA-N 1 2 391.147 4.196 20 0 GIADLO CC[C@]1(CO)CCC[N@@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000574724309 823809978 /nfs/dbraw/zinc/80/99/78/823809978.db2.gz DTQBNQHSNNXFKS-HNNXBMFYSA-N 1 2 391.147 4.196 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462044957 823810347 /nfs/dbraw/zinc/81/03/47/823810347.db2.gz LYPINEWOTIUIAI-QGZVFWFLSA-N 1 2 381.307 4.373 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(OC)c(OC(C)C)c1 ZINC000191934889 823815785 /nfs/dbraw/zinc/81/57/85/823815785.db2.gz VAJMINMIJYPDOQ-UHFFFAOYSA-N 1 2 388.512 4.185 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1 ZINC000064486991 823829002 /nfs/dbraw/zinc/82/90/02/823829002.db2.gz WBXBGJKTEKPJAE-VXKWHMMOSA-N 1 2 398.934 4.187 20 0 GIADLO Brc1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)co2)cc1 ZINC000064507976 823832259 /nfs/dbraw/zinc/83/22/59/823832259.db2.gz OAPVDBDJEBCDHN-UHFFFAOYSA-N 1 2 398.304 4.426 20 0 GIADLO Cc1ccc2nc(C)c(C(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)cc2c1 ZINC000126313350 823836995 /nfs/dbraw/zinc/83/69/95/823836995.db2.gz VATDCJHKKZIKBI-UHFFFAOYSA-N 1 2 389.499 4.245 20 0 GIADLO C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000126322317 823839732 /nfs/dbraw/zinc/83/97/32/823839732.db2.gz MMZYKRTWYGTOTJ-OAHLLOKOSA-N 1 2 398.304 4.055 20 0 GIADLO CC(C)OCc1cccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000064544195 823840376 /nfs/dbraw/zinc/84/03/76/823840376.db2.gz OWUYLGUCHLBPPU-UHFFFAOYSA-N 1 2 378.476 4.178 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000165227112 823840877 /nfs/dbraw/zinc/84/08/77/823840877.db2.gz PHUYDLLYWDGSLN-QRWLVFNGSA-N 1 2 392.927 4.370 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)c1ccc(OC)cc1 ZINC000165383005 823846607 /nfs/dbraw/zinc/84/66/07/823846607.db2.gz YYBUWUIYEGSXAZ-UHFFFAOYSA-N 1 2 395.547 4.133 20 0 GIADLO Fc1ccc(-c2nc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)no2)c(F)c1 ZINC000192069608 823850199 /nfs/dbraw/zinc/85/01/99/823850199.db2.gz OVCILZSDCLJWHA-AEFFLSMTSA-N 1 2 391.805 4.288 20 0 GIADLO Cc1ccc(C)c(OC2CC[NH+](CCCS(=O)(=O)c3ccccc3)CC2)c1 ZINC000064632261 823855270 /nfs/dbraw/zinc/85/52/70/823855270.db2.gz AUOUWIZGEJLOHS-UHFFFAOYSA-N 1 2 387.545 4.011 20 0 GIADLO O=C(C[N@@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)N1CCC1 ZINC000064632445 823855860 /nfs/dbraw/zinc/85/58/60/823855860.db2.gz IDQSHMWFYSVEFU-UHFFFAOYSA-N 1 2 378.394 4.162 20 0 GIADLO O=C(C[N@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)N1CCC1 ZINC000064632445 823855863 /nfs/dbraw/zinc/85/58/63/823855863.db2.gz IDQSHMWFYSVEFU-UHFFFAOYSA-N 1 2 378.394 4.162 20 0 GIADLO CCc1cc(O)ccc1NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000192091616 823857265 /nfs/dbraw/zinc/85/72/65/823857265.db2.gz QJFHVPWUNOAMIS-HZPDHXFCSA-N 1 2 383.492 4.208 20 0 GIADLO O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000574917516 823860247 /nfs/dbraw/zinc/86/02/47/823860247.db2.gz FLMMBGBNCMIJEP-VQTJNVASSA-N 1 2 399.498 4.264 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCCC[C@@H]2[C@@H](C)O)cs1)c1cccc(Cl)c1 ZINC000165721030 823861053 /nfs/dbraw/zinc/86/10/53/823861053.db2.gz OCWVZVRKFNLTME-FZKQIMNGSA-N 1 2 393.940 4.216 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)cs1)c1cccc(Cl)c1 ZINC000165721030 823861059 /nfs/dbraw/zinc/86/10/59/823861059.db2.gz OCWVZVRKFNLTME-FZKQIMNGSA-N 1 2 393.940 4.216 20 0 GIADLO COC[C@H]1CCC[N@H+](Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)C1 ZINC000165851427 823864339 /nfs/dbraw/zinc/86/43/39/823864339.db2.gz NGZYGCQURZBKTI-HNNXBMFYSA-N 1 2 393.940 4.340 20 0 GIADLO COC[C@H]1CCC[N@@H+](Cc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)C1 ZINC000165851427 823864342 /nfs/dbraw/zinc/86/43/42/823864342.db2.gz NGZYGCQURZBKTI-HNNXBMFYSA-N 1 2 393.940 4.340 20 0 GIADLO CC[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)CC(F)(F)F ZINC000413913108 823864650 /nfs/dbraw/zinc/86/46/50/823864650.db2.gz OZLOQPBQLLZJGO-JCGIZDLHSA-N 1 2 394.441 4.390 20 0 GIADLO FC(F)(F)c1ccc(-c2ccc(C[N@@H+]3CCOC[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000574943632 823866946 /nfs/dbraw/zinc/86/69/46/823866946.db2.gz DHXDQQREFVXEGE-HKUYNNGSSA-N 1 2 381.394 4.345 20 0 GIADLO FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCOC[C@H]3[C@@H]3CCCO3)o2)cc1 ZINC000574943632 823866952 /nfs/dbraw/zinc/86/69/52/823866952.db2.gz DHXDQQREFVXEGE-HKUYNNGSSA-N 1 2 381.394 4.345 20 0 GIADLO CCO[C@H]1C[C@H]([N@H+](C)Cc2csc(N(C(C)=O)c3ccccc3)n2)C1(C)C ZINC000166014049 823868580 /nfs/dbraw/zinc/86/85/80/823868580.db2.gz RTYYYLKPYVVOTP-OALUTQOASA-N 1 2 387.549 4.463 20 0 GIADLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2csc(N(C(C)=O)c3ccccc3)n2)C1(C)C ZINC000166014049 823868586 /nfs/dbraw/zinc/86/85/86/823868586.db2.gz RTYYYLKPYVVOTP-OALUTQOASA-N 1 2 387.549 4.463 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@]3(CCOC3)C2)cs1)c1cccc(Cl)c1 ZINC000166371945 823876868 /nfs/dbraw/zinc/87/68/68/823876868.db2.gz RJAWZJOYOYTXHZ-IBGZPJMESA-N 1 2 391.924 4.094 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@]3(CCOC3)C2)cs1)c1cccc(Cl)c1 ZINC000166371945 823876877 /nfs/dbraw/zinc/87/68/77/823876877.db2.gz RJAWZJOYOYTXHZ-IBGZPJMESA-N 1 2 391.924 4.094 20 0 GIADLO CN1C(=O)C[C@@H]([NH2+]Cc2ncc(-c3ccccc3)o2)[C@H]1c1ccc(Cl)cc1 ZINC000192150376 823880941 /nfs/dbraw/zinc/88/09/41/823880941.db2.gz OLTMSBZWCWIYME-DYESRHJHSA-N 1 2 381.863 4.057 20 0 GIADLO O=C(NCC(F)(F)c1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000462227038 823882316 /nfs/dbraw/zinc/88/23/16/823882316.db2.gz SEKMXSHCSRJJQQ-VQTJNVASSA-N 1 2 396.441 4.203 20 0 GIADLO CN1C(=O)C[C@H]([NH2+]Cc2ncc(-c3cccs3)o2)[C@H]1c1ccc(Cl)cc1 ZINC000192153951 823882739 /nfs/dbraw/zinc/88/27/39/823882739.db2.gz KNXVJJGHFZCKBK-IFXJQAMLSA-N 1 2 387.892 4.118 20 0 GIADLO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1=O ZINC000575006374 823885092 /nfs/dbraw/zinc/88/50/92/823885092.db2.gz YQSLPQSMZQXMJO-KKSFZXQISA-N 1 2 393.462 4.323 20 0 GIADLO Fc1ccc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)cc1Br ZINC000462237397 823889331 /nfs/dbraw/zinc/88/93/31/823889331.db2.gz ODTKTXMPOHKHPK-UHFFFAOYSA-N 1 2 380.261 4.228 20 0 GIADLO COc1cccc([C@@H]([NH2+]CC(=O)NC(C2CC2)C2CC2)c2ccccc2Cl)c1 ZINC000462241192 823891975 /nfs/dbraw/zinc/89/19/75/823891975.db2.gz ZBMREIHISROWKU-HSZRJFAPSA-N 1 2 398.934 4.332 20 0 GIADLO C[C@H]1CCN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126543265 823894906 /nfs/dbraw/zinc/89/49/06/823894906.db2.gz DHNPMLUKOLEFBL-YOEHRIQHSA-N 1 2 390.325 4.033 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CCCS(=O)(=O)c3cccc(C)c3)CC2)cc1 ZINC000167817539 823896262 /nfs/dbraw/zinc/89/62/62/823896262.db2.gz GPWRZXHNKGGPLL-UHFFFAOYSA-N 1 2 399.556 4.062 20 0 GIADLO Brc1ccc2c(c1)[nH+]c(NCc1cncnc1)n2Cc1ccccc1 ZINC000167831598 823896335 /nfs/dbraw/zinc/89/63/35/823896335.db2.gz WUBVVYKVOFDXLA-UHFFFAOYSA-N 1 2 394.276 4.249 20 0 GIADLO CCn1c2cc(Br)ccc2[nH+]c1NCc1cnc2c(c1)c(C)nn2C ZINC000167834110 823896552 /nfs/dbraw/zinc/89/65/52/823896552.db2.gz NXDHMTLCMFENMJ-UHFFFAOYSA-N 1 2 399.296 4.021 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCS[C@@H](C)CC2)cs1)c1ccccc1F ZINC000192189306 823896808 /nfs/dbraw/zinc/89/68/08/823896808.db2.gz GLJNMOJIVMXFTB-ZDUSSCGKSA-N 1 2 379.526 4.294 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCS[C@@H](C)CC2)cs1)c1ccccc1F ZINC000192189306 823896814 /nfs/dbraw/zinc/89/68/14/823896814.db2.gz GLJNMOJIVMXFTB-ZDUSSCGKSA-N 1 2 379.526 4.294 20 0 GIADLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1OCC ZINC000414056858 823896893 /nfs/dbraw/zinc/89/68/93/823896893.db2.gz DYMGZHOQOBQYPE-QWHCGFSZSA-N 1 2 378.494 4.139 20 0 GIADLO COc1ccc2cc(NC(=O)N3CC[NH+]([C@@H](C)c4ccsc4)CC3)ccc2n1 ZINC000462248766 823897387 /nfs/dbraw/zinc/89/73/87/823897387.db2.gz SHCPCTKGGWPNRP-HNNXBMFYSA-N 1 2 396.516 4.216 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)s1 ZINC000414061016 823898456 /nfs/dbraw/zinc/89/84/56/823898456.db2.gz BEAZOHBSPYEHMX-CYBMUJFWSA-N 1 2 390.505 4.111 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cnn1-c1ccc(F)cc1 ZINC000167950250 823898788 /nfs/dbraw/zinc/89/87/88/823898788.db2.gz FSOWAYXKDBACHN-KUHUBIRLSA-N 1 2 382.487 4.220 20 0 GIADLO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc1OC ZINC000414064876 823899010 /nfs/dbraw/zinc/89/90/10/823899010.db2.gz GJTNYGZWHNMXLB-CHWSQXEVSA-N 1 2 378.494 4.139 20 0 GIADLO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1 ZINC000414065610 823899720 /nfs/dbraw/zinc/89/97/20/823899720.db2.gz GCIVOUFWAFVYNR-STQMWFEESA-N 1 2 380.535 4.080 20 0 GIADLO Cc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1Cc1ccccc1 ZINC000126581117 823905143 /nfs/dbraw/zinc/90/51/43/823905143.db2.gz IMZHPPGIXCCQTE-JTSKRJEESA-N 1 2 376.504 4.073 20 0 GIADLO COc1c(Cl)cccc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462264694 823905645 /nfs/dbraw/zinc/90/56/45/823905645.db2.gz BFZLCRMHTNJLOA-CYBMUJFWSA-N 1 2 379.913 4.321 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(OCC(C)C)c(OC)c2)s1 ZINC000414085105 823905676 /nfs/dbraw/zinc/90/56/76/823905676.db2.gz YLGYDGOJNXSKAR-KGLIPLIRSA-N 1 2 392.521 4.385 20 0 GIADLO C[C@@H]1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000126593996 823907111 /nfs/dbraw/zinc/90/71/11/823907111.db2.gz BUGGFTSPQVVNGU-ABAIWWIYSA-N 1 2 377.275 4.395 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)s1 ZINC000414094543 823908082 /nfs/dbraw/zinc/90/80/82/823908082.db2.gz GIKMHNPCRCWAKJ-JGVFFNPUSA-N 1 2 375.313 4.166 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(Br)s2)s1 ZINC000414094545 823908181 /nfs/dbraw/zinc/90/81/81/823908181.db2.gz GIKMHNPCRCWAKJ-SFYZADRCSA-N 1 2 375.313 4.166 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCn1ccc2cc(Cl)ccc21 ZINC000192245772 823914783 /nfs/dbraw/zinc/91/47/83/823914783.db2.gz PUUXZWOAISHDMY-UHFFFAOYSA-N 1 2 386.927 4.383 20 0 GIADLO CCOc1ccccc1[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462294900 823914885 /nfs/dbraw/zinc/91/48/85/823914885.db2.gz JYUAIZAVSLKBOF-DLBZAZTESA-N 1 2 387.549 4.296 20 0 GIADLO CCS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)c1 ZINC000414139324 823917747 /nfs/dbraw/zinc/91/77/47/823917747.db2.gz JFYGFIOBOCIEAC-OAHLLOKOSA-N 1 2 386.542 4.455 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Cl)ccc1OC(C)C ZINC000192255159 823918017 /nfs/dbraw/zinc/91/80/17/823918017.db2.gz FLODGUHHCPPSPS-UHFFFAOYSA-N 1 2 377.916 4.439 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc3cc(Br)ccc3[nH]2)s1 ZINC000414145428 823918078 /nfs/dbraw/zinc/91/80/78/823918078.db2.gz UMWORBOKKRDNAJ-VIFPVBQESA-N 1 2 394.294 4.024 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1csc(-c2ccccc2)n1)C(=O)NCCc1ccccc1 ZINC000414157607 823920039 /nfs/dbraw/zinc/92/00/39/823920039.db2.gz YDJXTEWGBPIYIN-IAGOWNOFSA-N 1 2 379.529 4.208 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Br)c(Cl)c1 ZINC000192261541 823921185 /nfs/dbraw/zinc/92/11/85/823921185.db2.gz BHJBIKRDOJGRDN-UHFFFAOYSA-N 1 2 398.732 4.414 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1Br)c1ccn(C)n1 ZINC000414179682 823923919 /nfs/dbraw/zinc/92/39/19/823923919.db2.gz LNAQOAZPZUGQCA-NXEZZACHSA-N 1 2 387.119 4.357 20 0 GIADLO CC(C)(C)c1nnc(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)[nH]1 ZINC000414180755 823924046 /nfs/dbraw/zinc/92/40/46/823924046.db2.gz LSGNNKQICPXUBC-ZDUSSCGKSA-N 1 2 383.721 4.295 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@H+](C)CCCc2cc(-c3ccccc3)no2)cs1 ZINC000170647094 823925326 /nfs/dbraw/zinc/92/53/26/823925326.db2.gz NXSYUDQCXFQFDU-UHFFFAOYSA-N 1 2 398.532 4.236 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)cs1 ZINC000170647094 823925336 /nfs/dbraw/zinc/92/53/36/823925336.db2.gz NXSYUDQCXFQFDU-UHFFFAOYSA-N 1 2 398.532 4.236 20 0 GIADLO Cc1ccc(C)c(-n2ccn(C[NH+]3CCC(N4CCCCC4=O)CC3)c2=S)c1 ZINC000126691239 823928170 /nfs/dbraw/zinc/92/81/70/823928170.db2.gz NSJPKVQDYCZEQS-UHFFFAOYSA-N 1 2 398.576 4.060 20 0 GIADLO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc(F)c(Br)c1 ZINC000414235226 823935629 /nfs/dbraw/zinc/93/56/29/823935629.db2.gz GZDDVVIKAYRIFC-MRVPVSSYSA-N 1 2 378.167 4.248 20 0 GIADLO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ncc(-c2ccccc2)o1 ZINC000126721923 823935857 /nfs/dbraw/zinc/93/58/57/823935857.db2.gz VOWWYLHUOREYKT-CXAGYDPISA-N 1 2 383.398 4.076 20 0 GIADLO Nc1c(Cl)cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000192310681 823942648 /nfs/dbraw/zinc/94/26/48/823942648.db2.gz ZOHOCPQNLVGILF-UHFFFAOYSA-N 1 2 394.237 4.222 20 0 GIADLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2C1 ZINC000462366922 823943447 /nfs/dbraw/zinc/94/34/47/823943447.db2.gz XVERNNMFYSGHII-ZDUSSCGKSA-N 1 2 380.460 4.126 20 0 GIADLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2C1 ZINC000462366922 823943458 /nfs/dbraw/zinc/94/34/58/823943458.db2.gz XVERNNMFYSGHII-ZDUSSCGKSA-N 1 2 380.460 4.126 20 0 GIADLO Cc1cc(Br)cc2c1[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CC2 ZINC000414264829 823945567 /nfs/dbraw/zinc/94/55/67/823945567.db2.gz UQIVEIKVJOKJEO-GFCCVEGCSA-N 1 2 386.215 4.343 20 0 GIADLO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2CCCC[C@H]2F)c2cc(F)ccc2F)c1 ZINC000414284228 823951586 /nfs/dbraw/zinc/95/15/86/823951586.db2.gz KIOIDASMNSTCOP-VAMGGRTRSA-N 1 2 397.462 4.328 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1csnn1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414292928 823953116 /nfs/dbraw/zinc/95/31/16/823953116.db2.gz CLDFUDRNFHYACX-CABCVRRESA-N 1 2 379.489 4.177 20 0 GIADLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CCC1(F)F ZINC000575369892 823963911 /nfs/dbraw/zinc/96/39/11/823963911.db2.gz DWCMREXUGZNDGH-ZDUSSCGKSA-N 1 2 382.838 4.193 20 0 GIADLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CCC1(F)F ZINC000575369892 823963922 /nfs/dbraw/zinc/96/39/22/823963922.db2.gz DWCMREXUGZNDGH-ZDUSSCGKSA-N 1 2 382.838 4.193 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000192380940 823966210 /nfs/dbraw/zinc/96/62/10/823966210.db2.gz OLYFZAFVVGGMLE-UHFFFAOYSA-N 1 2 390.959 4.498 20 0 GIADLO C[C@H](CC(=O)NCC1(c2ccc(Br)cc2)CCCC1)n1cc[nH+]c1 ZINC000575410288 823967833 /nfs/dbraw/zinc/96/78/33/823967833.db2.gz OWPBUXJFSYRWKM-OAHLLOKOSA-N 1 2 390.325 4.225 20 0 GIADLO Cc1ccccc1C1CC([N@H+](Cc2ccc(S(C)(=O)=O)s2)C2CC2)C1 ZINC000414401809 823972326 /nfs/dbraw/zinc/97/23/26/823972326.db2.gz WYGWMCAQXBMXIR-UHFFFAOYSA-N 1 2 375.559 4.371 20 0 GIADLO Cc1ccccc1C1CC([N@@H+](Cc2ccc(S(C)(=O)=O)s2)C2CC2)C1 ZINC000414401809 823972329 /nfs/dbraw/zinc/97/23/29/823972329.db2.gz WYGWMCAQXBMXIR-UHFFFAOYSA-N 1 2 375.559 4.371 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)cs2)cc1OC ZINC000575612171 823979321 /nfs/dbraw/zinc/97/93/21/823979321.db2.gz NPQFQODBUAFVQB-PKOBYXMFSA-N 1 2 388.533 4.217 20 0 GIADLO COc1ccc(-c2nc(C[N@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)cs2)cc1OC ZINC000575612171 823979324 /nfs/dbraw/zinc/97/93/24/823979324.db2.gz NPQFQODBUAFVQB-PKOBYXMFSA-N 1 2 388.533 4.217 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc(C)c1Br ZINC000192417799 823980407 /nfs/dbraw/zinc/98/04/07/823980407.db2.gz DXWAMTNNPSIFCL-BLLLJJGKSA-N 1 2 391.313 4.377 20 0 GIADLO Cc1cccc(COc2ccc([C@H](C)NC(=O)N3CCn4c[nH+]cc4C3)cc2)c1 ZINC000575634260 823981424 /nfs/dbraw/zinc/98/14/24/823981424.db2.gz HCZKOOFVQVWNAK-SFHVURJKSA-N 1 2 390.487 4.057 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000575662481 823981892 /nfs/dbraw/zinc/98/18/92/823981892.db2.gz ZLIHBEVQUSJGPY-AEFFLSMTSA-N 1 2 386.927 4.051 20 0 GIADLO COc1cccc2cc(C(=O)Nc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)oc21 ZINC000126926625 823982666 /nfs/dbraw/zinc/98/26/66/823982666.db2.gz FPYUUROLNPTBNQ-IYBDPMFKSA-N 1 2 394.471 4.303 20 0 GIADLO COc1cccc2cc(C(=O)Nc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)oc21 ZINC000126926625 823982672 /nfs/dbraw/zinc/98/26/72/823982672.db2.gz FPYUUROLNPTBNQ-IYBDPMFKSA-N 1 2 394.471 4.303 20 0 GIADLO Cc1nn(C)c2ncc(C[N@@H+]3CCCC[C@@H]3c3nc(-c4ccccc4)no3)cc12 ZINC000170838152 823985744 /nfs/dbraw/zinc/98/57/44/823985744.db2.gz LDUMSNVZFCSTGK-LJQANCHMSA-N 1 2 388.475 4.054 20 0 GIADLO Cc1nn(C)c2ncc(C[N@H+]3CCCC[C@@H]3c3nc(-c4ccccc4)no3)cc12 ZINC000170838152 823985748 /nfs/dbraw/zinc/98/57/48/823985748.db2.gz LDUMSNVZFCSTGK-LJQANCHMSA-N 1 2 388.475 4.054 20 0 GIADLO Cc1cccc(NC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC000575756637 823986998 /nfs/dbraw/zinc/98/69/98/823986998.db2.gz PJBUXHHCOZRJPW-UHFFFAOYSA-N 1 2 387.281 4.078 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2cc(Br)ccc2F)c2cccc(F)c2)cn1 ZINC000575767515 823989284 /nfs/dbraw/zinc/98/92/84/823989284.db2.gz YHRFIPNMBYOFPO-SFHVURJKSA-N 1 2 392.247 4.340 20 0 GIADLO FC(F)(F)Cn1ccnc1C[NH2+]Cc1cccc(Br)c1Cl ZINC000414483686 823992627 /nfs/dbraw/zinc/99/26/27/823992627.db2.gz OPTOQUAFQRADNH-UHFFFAOYSA-N 1 2 382.611 4.151 20 0 GIADLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)Cc2ccc(C)c(C)c2)cc1 ZINC000575781038 823993167 /nfs/dbraw/zinc/99/31/67/823993167.db2.gz XAQJFSXRHBLTML-UHFFFAOYSA-N 1 2 396.512 4.244 20 0 GIADLO Cc1noc2ncnc(NCc3ccccc3-c3ccc(Cn4cc[nH+]c4)cc3)c12 ZINC000192450710 823996841 /nfs/dbraw/zinc/99/68/41/823996841.db2.gz QUGKWJBDXDJENW-UHFFFAOYSA-N 1 2 396.454 4.450 20 0 GIADLO COc1ccc2c(c1)c(C(=O)NCCn1cc[nH+]c1)c(C)n2C1CCCCC1 ZINC000192458362 823998293 /nfs/dbraw/zinc/99/82/93/823998293.db2.gz FHEVYQPSJDIGDD-UHFFFAOYSA-N 1 2 380.492 4.090 20 0 GIADLO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192463461 824000669 /nfs/dbraw/zinc/00/06/69/824000669.db2.gz RCUUMPYYLOJRKT-INIZCTEOSA-N 1 2 398.478 4.146 20 0 GIADLO CC[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)c1nc(C)cs1 ZINC000170888652 824001042 /nfs/dbraw/zinc/00/10/42/824001042.db2.gz RQYOYUXLMOVRRP-QGZVFWFLSA-N 1 2 394.544 4.259 20 0 GIADLO CC[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)c1nc(C)cs1 ZINC000170888652 824001046 /nfs/dbraw/zinc/00/10/46/824001046.db2.gz RQYOYUXLMOVRRP-QGZVFWFLSA-N 1 2 394.544 4.259 20 0 GIADLO Cc1csc(C2(NC(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CCC2)n1 ZINC000575806670 824001005 /nfs/dbraw/zinc/00/10/05/824001005.db2.gz BOOMXNQTHJHTRZ-UHFFFAOYSA-N 1 2 391.566 4.095 20 0 GIADLO CC(C)c1sc(NC(=O)C[N@@H+]2CC[C@H](O)CC23CCC3)nc1-c1ccccc1 ZINC000575858730 824014320 /nfs/dbraw/zinc/01/43/20/824014320.db2.gz UIDGRURUWIRKOO-KRWDZBQOSA-N 1 2 399.560 4.251 20 0 GIADLO CC(C)c1sc(NC(=O)C[N@H+]2CC[C@H](O)CC23CCC3)nc1-c1ccccc1 ZINC000575858730 824014326 /nfs/dbraw/zinc/01/43/26/824014326.db2.gz UIDGRURUWIRKOO-KRWDZBQOSA-N 1 2 399.560 4.251 20 0 GIADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000170987799 824028752 /nfs/dbraw/zinc/02/87/52/824028752.db2.gz CSMYRBXOGVSNPT-UHFFFAOYSA-N 1 2 377.510 4.234 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1(Cc2ccccc2Cl)CC1 ZINC000575955389 824036655 /nfs/dbraw/zinc/03/66/55/824036655.db2.gz HMHRHPSCOGFZHW-UHFFFAOYSA-N 1 2 379.891 4.224 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(-n4cccn4)cc3)c2C1 ZINC000192594440 824040412 /nfs/dbraw/zinc/04/04/12/824040412.db2.gz DJOISZXMVLFSAY-UHFFFAOYSA-N 1 2 397.482 4.051 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(-n4cccn4)cc3)c2C1 ZINC000192594440 824040424 /nfs/dbraw/zinc/04/04/24/824040424.db2.gz DJOISZXMVLFSAY-UHFFFAOYSA-N 1 2 397.482 4.051 20 0 GIADLO CCOC(=O)c1nc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)cs1 ZINC000576006409 824048364 /nfs/dbraw/zinc/04/83/64/824048364.db2.gz NJJQCZIWAYHPAX-SFHVURJKSA-N 1 2 388.533 4.094 20 0 GIADLO CC(C)[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccc(F)cc1F ZINC000359896982 212121593 /nfs/dbraw/zinc/12/15/93/212121593.db2.gz JHSBVNVKPSDHEN-PKOBYXMFSA-N 1 2 383.435 4.309 20 0 GIADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)CC3 ZINC000011664007 221120684 /nfs/dbraw/zinc/12/06/84/221120684.db2.gz HFOJDXZNEBMFBF-UHFFFAOYSA-N 1 2 386.455 4.153 20 0 GIADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)CC3 ZINC000011664007 221120687 /nfs/dbraw/zinc/12/06/87/221120687.db2.gz HFOJDXZNEBMFBF-UHFFFAOYSA-N 1 2 386.455 4.153 20 0 GIADLO Cc1cc(Cl)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164670753 719494249 /nfs/dbraw/zinc/49/42/49/719494249.db2.gz YKXJWNCJBQRIQV-UHFFFAOYSA-N 1 2 389.902 4.054 20 0 GIADLO Cc1cc(Cl)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164670753 719494250 /nfs/dbraw/zinc/49/42/50/719494250.db2.gz YKXJWNCJBQRIQV-UHFFFAOYSA-N 1 2 389.902 4.054 20 0 GIADLO Cc1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164672147 719496532 /nfs/dbraw/zinc/49/65/32/719496532.db2.gz FTSJWFPCSXBNKW-UHFFFAOYSA-N 1 2 389.902 4.054 20 0 GIADLO Cc1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164672147 719496542 /nfs/dbraw/zinc/49/65/42/719496542.db2.gz FTSJWFPCSXBNKW-UHFFFAOYSA-N 1 2 389.902 4.054 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Br)ncc1Cl ZINC000187360165 823049474 /nfs/dbraw/zinc/04/94/74/823049474.db2.gz UJZMUFCNKLOTCA-UHFFFAOYSA-N 1 2 395.619 4.075 20 0 GIADLO CC(C)[C@@H]1C[C@]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)(C(=O)[O-])c2ccccc21 ZINC000570534629 823050767 /nfs/dbraw/zinc/05/07/67/823050767.db2.gz VMCJYKYHZJLIKG-NZQKXSOJSA-N 1 2 375.472 4.085 20 0 GIADLO Cc1nc(CNC(=O)NCc2c[nH+]c(C)cc2C)oc1-c1ccc(Cl)cc1 ZINC000458535753 823052163 /nfs/dbraw/zinc/05/21/63/823052163.db2.gz BLHRONLGWPZLNB-UHFFFAOYSA-N 1 2 384.867 4.315 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000175840335 823052243 /nfs/dbraw/zinc/05/22/43/823052243.db2.gz MUICLUPTYVPHBH-UHFFFAOYSA-N 1 2 377.492 4.333 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000187400314 823056052 /nfs/dbraw/zinc/05/60/52/823056052.db2.gz VUJUCFARNLHUHT-QGZVFWFLSA-N 1 2 394.544 4.093 20 0 GIADLO O=c1cc(C[NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)nc2sccn21 ZINC000055870633 823057453 /nfs/dbraw/zinc/05/74/53/823057453.db2.gz HZXXRTFVTMCRIV-IBGZPJMESA-N 1 2 381.888 4.289 20 0 GIADLO Cc1cccc(C)c1[C@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000570628483 823064364 /nfs/dbraw/zinc/06/43/64/823064364.db2.gz GBJIRKGEOPLDPM-SFHVURJKSA-N 1 2 380.536 4.486 20 0 GIADLO Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120792860 823065276 /nfs/dbraw/zinc/06/52/76/823065276.db2.gz YWTNJIXVDUPNBM-AWEZNQCLSA-N 1 2 386.546 4.008 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ncc(Br)cc1F ZINC000187531742 823083089 /nfs/dbraw/zinc/08/30/89/823083089.db2.gz PZNXIGYRRFUXTP-NSHDSACASA-N 1 2 382.277 4.406 20 0 GIADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCSC(C)(C)CC2)c(C)c1 ZINC000570779754 823086434 /nfs/dbraw/zinc/08/64/34/823086434.db2.gz MGIRWQFDKRAHKH-IBGZPJMESA-N 1 2 386.565 4.168 20 0 GIADLO O=C(Nc1ccn(-c2ccccc2)n1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000120953477 823091950 /nfs/dbraw/zinc/09/19/50/823091950.db2.gz XRCAAOIFZORPKC-UNMCSNQZSA-N 1 2 398.470 4.119 20 0 GIADLO COc1cc(NC(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc(OC)c1 ZINC000120956877 823092774 /nfs/dbraw/zinc/09/27/74/823092774.db2.gz UHJKRERBCARKDY-CQSZACIVSA-N 1 2 391.537 4.224 20 0 GIADLO COc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc(OC)c1 ZINC000120956877 823092781 /nfs/dbraw/zinc/09/27/81/823092781.db2.gz UHJKRERBCARKDY-CQSZACIVSA-N 1 2 391.537 4.224 20 0 GIADLO Cc1ccc(OCCCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000120966077 823094442 /nfs/dbraw/zinc/09/44/42/823094442.db2.gz FDXKIMXITLDSKY-UHFFFAOYSA-N 1 2 377.488 4.024 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000187597534 823095121 /nfs/dbraw/zinc/09/51/21/823095121.db2.gz YFGKBHBCRGHKSD-UHFFFAOYSA-N 1 2 377.341 4.019 20 0 GIADLO C[C@@H](CC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)n1cc[nH+]c1 ZINC000570850344 823095235 /nfs/dbraw/zinc/09/52/35/823095235.db2.gz WXETUMCDLSUOQE-LRDDRELGSA-N 1 2 380.261 4.100 20 0 GIADLO COCCn1c2ccccc2[nH+]c1NCc1cc(-c2ccncc2)ccc1OC ZINC000187607460 823096962 /nfs/dbraw/zinc/09/69/62/823096962.db2.gz YBVAQMGBGCWYBM-UHFFFAOYSA-N 1 2 388.471 4.365 20 0 GIADLO CCn1c2ccccc2[nH+]c1NCc1cccc(Cl)c1S(=O)(=O)CC ZINC000187606998 823097089 /nfs/dbraw/zinc/09/70/89/823097089.db2.gz LKWKITDASOYFQM-UHFFFAOYSA-N 1 2 377.897 4.115 20 0 GIADLO CC(=O)Nc1sc(NCc2c[nH+]c3ccc(C)cn23)nc1-c1ccccc1 ZINC000187619104 823098869 /nfs/dbraw/zinc/09/88/69/823098869.db2.gz DOHCHXDBGRTASA-UHFFFAOYSA-N 1 2 377.473 4.337 20 0 GIADLO CC(=O)N(c1nc(C[NH2+][C@@H]2CCc3cc(N)ccc32)cs1)c1ccc(C)cc1 ZINC000570867411 823098916 /nfs/dbraw/zinc/09/89/16/823098916.db2.gz SACHRRVFGWSGTE-OAQYLSRUSA-N 1 2 392.528 4.495 20 0 GIADLO COc1cccc(-c2c[nH]cc2C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000570890941 823103141 /nfs/dbraw/zinc/10/31/41/823103141.db2.gz XFTMTSGAQHXAQR-UHFFFAOYSA-N 1 2 396.516 4.385 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000121017862 823103480 /nfs/dbraw/zinc/10/34/80/823103480.db2.gz XRSJLNODSRFTCC-CQSZACIVSA-N 1 2 391.585 4.237 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000121017862 823103483 /nfs/dbraw/zinc/10/34/83/823103483.db2.gz XRSJLNODSRFTCC-CQSZACIVSA-N 1 2 391.585 4.237 20 0 GIADLO O=C(CCc1cc(Cl)ccc1Br)N1CCC(n2cc[nH+]c2)CC1 ZINC000176044278 823105006 /nfs/dbraw/zinc/10/50/06/823105006.db2.gz SCCNIUJXVOABFH-UHFFFAOYSA-N 1 2 396.716 4.095 20 0 GIADLO COc1cc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)ccc1OC(C)C ZINC000570973192 823113823 /nfs/dbraw/zinc/11/38/23/823113823.db2.gz FMDKRXQKCMLCKW-UHFFFAOYSA-N 1 2 390.443 4.444 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+](C)[C@@H]2CCSC2)cs1 ZINC000121065624 823111679 /nfs/dbraw/zinc/11/16/79/823111679.db2.gz OCVLTKRMURGZEI-QGZVFWFLSA-N 1 2 375.563 4.327 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+](C)[C@@H]2CCSC2)cs1 ZINC000121065624 823111680 /nfs/dbraw/zinc/11/16/80/823111680.db2.gz OCVLTKRMURGZEI-QGZVFWFLSA-N 1 2 375.563 4.327 20 0 GIADLO C[NH+](C)[C@@H](c1nc(-c2ccc(N3CCCCC3)nc2)no1)c1ccc(Cl)cc1 ZINC000570984978 823115680 /nfs/dbraw/zinc/11/56/80/823115680.db2.gz AIFYGLYWHISYOA-LJQANCHMSA-N 1 2 397.910 4.426 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000121093497 823117342 /nfs/dbraw/zinc/11/73/42/823117342.db2.gz BRCBNIGWEQKCRQ-MRXNPFEDSA-N 1 2 384.549 4.204 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000121093497 823117343 /nfs/dbraw/zinc/11/73/43/823117343.db2.gz BRCBNIGWEQKCRQ-MRXNPFEDSA-N 1 2 384.549 4.204 20 0 GIADLO C[N@H+](C[C@H]1CCOC1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S ZINC000176090529 823117445 /nfs/dbraw/zinc/11/74/45/823117445.db2.gz CFOPIFSXXLWYLF-MRXNPFEDSA-N 1 2 398.507 4.135 20 0 GIADLO C[N@@H+](C[C@H]1CCOC1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S ZINC000176090529 823117447 /nfs/dbraw/zinc/11/74/47/823117447.db2.gz CFOPIFSXXLWYLF-MRXNPFEDSA-N 1 2 398.507 4.135 20 0 GIADLO O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056275274 823119147 /nfs/dbraw/zinc/11/91/47/823119147.db2.gz PNZWBWVUKCTJNS-GOSISDBHSA-N 1 2 397.862 4.336 20 0 GIADLO COC(=O)c1sccc1NC(=O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121134778 823124278 /nfs/dbraw/zinc/12/42/78/823124278.db2.gz PJESLEZGRGDMQA-GFCCVEGCSA-N 1 2 395.550 4.055 20 0 GIADLO COC(=O)c1sccc1NC(=O)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121134778 823124282 /nfs/dbraw/zinc/12/42/82/823124282.db2.gz PJESLEZGRGDMQA-GFCCVEGCSA-N 1 2 395.550 4.055 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2ccc(F)cc2OC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000121115202 823121253 /nfs/dbraw/zinc/12/12/53/823121253.db2.gz JRSYDVJREIORRB-HNAYVOBHSA-N 1 2 386.471 4.459 20 0 GIADLO Cc1cnc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000121129158 823123359 /nfs/dbraw/zinc/12/33/59/823123359.db2.gz MSZMJTKTMCSKCT-IUIKQTSFSA-N 1 2 396.919 4.050 20 0 GIADLO Cc1cnc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000121129158 823123361 /nfs/dbraw/zinc/12/33/61/823123361.db2.gz MSZMJTKTMCSKCT-IUIKQTSFSA-N 1 2 396.919 4.050 20 0 GIADLO Cc1cc(Br)c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000571055603 823125982 /nfs/dbraw/zinc/12/59/82/823125982.db2.gz MBRWFADQYSBFLZ-LLVKDONJSA-N 1 2 382.689 4.154 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000121146556 823127014 /nfs/dbraw/zinc/12/70/14/823127014.db2.gz JFGCGUCKVQQLHJ-NVXWUHKLSA-N 1 2 387.549 4.208 20 0 GIADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000121146556 823127018 /nfs/dbraw/zinc/12/70/18/823127018.db2.gz JFGCGUCKVQQLHJ-NVXWUHKLSA-N 1 2 387.549 4.208 20 0 GIADLO C[C@H](NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1cncc(F)c1 ZINC000571076873 823128478 /nfs/dbraw/zinc/12/84/78/823128478.db2.gz QYBMRPCSPFVOOG-AWEZNQCLSA-N 1 2 379.439 4.303 20 0 GIADLO C[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(-c2cccnc2)cc1 ZINC000571116048 823134416 /nfs/dbraw/zinc/13/44/16/823134416.db2.gz RVKSXKOQFRJZRY-KRWDZBQOSA-N 1 2 389.503 4.184 20 0 GIADLO COc1sc(C[NH2+]Cc2cc(-c3ccccc3)on2)cc1Br ZINC000121211254 823139442 /nfs/dbraw/zinc/13/94/42/823139442.db2.gz OAJOBLPVWYEOED-UHFFFAOYSA-N 1 2 379.279 4.464 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C2(Cc3ccccc3F)CC2)C[C@H](C)O1 ZINC000187832431 823142150 /nfs/dbraw/zinc/14/21/50/823142150.db2.gz YWYOJBUJWROPKC-HDICACEKSA-N 1 2 396.506 4.396 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C2(Cc3ccccc3F)CC2)C[C@H](C)O1 ZINC000187832431 823142152 /nfs/dbraw/zinc/14/21/52/823142152.db2.gz YWYOJBUJWROPKC-HDICACEKSA-N 1 2 396.506 4.396 20 0 GIADLO Cc1nc(C[NH+]2CCC(c3nc(C4(c5ccc(F)cc5)CC4)no3)CC2)cs1 ZINC000571194325 823146844 /nfs/dbraw/zinc/14/68/44/823146844.db2.gz ARGXAAZRWYHUGA-UHFFFAOYSA-N 1 2 398.507 4.433 20 0 GIADLO Cc1cnn([C@@H]2CCC[N@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)c1 ZINC000121265803 823151210 /nfs/dbraw/zinc/15/12/10/823151210.db2.gz GVSBKFOSECOKQK-MRXNPFEDSA-N 1 2 383.521 4.019 20 0 GIADLO Cc1cnn([C@@H]2CCC[N@@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)c1 ZINC000121265803 823151212 /nfs/dbraw/zinc/15/12/12/823151212.db2.gz GVSBKFOSECOKQK-MRXNPFEDSA-N 1 2 383.521 4.019 20 0 GIADLO COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000459233026 823149143 /nfs/dbraw/zinc/14/91/43/823149143.db2.gz CYWJLYWCVPXYCU-SFHVURJKSA-N 1 2 384.524 4.163 20 0 GIADLO c1cc([C@@H]2CCC[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)[nH]n1 ZINC000121256965 823149254 /nfs/dbraw/zinc/14/92/54/823149254.db2.gz MQEJRKCEZZLFGF-OAQYLSRUSA-N 1 2 398.514 4.096 20 0 GIADLO c1cc([C@@H]2CCC[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)[nH]n1 ZINC000121256965 823149256 /nfs/dbraw/zinc/14/92/56/823149256.db2.gz MQEJRKCEZZLFGF-OAQYLSRUSA-N 1 2 398.514 4.096 20 0 GIADLO O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000176196366 823150227 /nfs/dbraw/zinc/15/02/27/823150227.db2.gz JDCVCHGGEOYCEX-IRXDYDNUSA-N 1 2 395.453 4.421 20 0 GIADLO O=c1c2ccccc2c(-c2ccc(F)c(F)c2)nn1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000176196347 823150325 /nfs/dbraw/zinc/15/03/25/823150325.db2.gz JDCVCHGGEOYCEX-IAGOWNOFSA-N 1 2 395.453 4.421 20 0 GIADLO Cc1cc(C(=O)NC2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)c(C)o1 ZINC000571232743 823152808 /nfs/dbraw/zinc/15/28/08/823152808.db2.gz AIIKFDFIAILSQX-UHFFFAOYSA-N 1 2 383.879 4.497 20 0 GIADLO CN(CCCc1cc(-c2ccccc2)no1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000571249193 823155407 /nfs/dbraw/zinc/15/54/07/823155407.db2.gz FOIJLBVNHNFNIE-UHFFFAOYSA-N 1 2 375.432 4.086 20 0 GIADLO Cc1c2ccccc2[nH+]c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C(=O)[O-] ZINC000571287619 823160271 /nfs/dbraw/zinc/16/02/71/823160271.db2.gz IGKBVMNEUXVYNM-QFBILLFUSA-N 1 2 389.499 4.128 20 0 GIADLO Cc1c2ccccc2[nH+]c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C(=O)[O-] ZINC000571287619 823160274 /nfs/dbraw/zinc/16/02/74/823160274.db2.gz IGKBVMNEUXVYNM-QFBILLFUSA-N 1 2 389.499 4.128 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(Br)cc1F ZINC000056524964 823161828 /nfs/dbraw/zinc/16/18/28/823161828.db2.gz MMEBVLJKEJZNLS-UHFFFAOYSA-N 1 2 389.228 4.096 20 0 GIADLO Cc1nc2ccc(NC(=O)N[C@H]3c4ccccc4CC[C@H]3n3cc[nH+]c3)cc2o1 ZINC000121328475 823164034 /nfs/dbraw/zinc/16/40/34/823164034.db2.gz MLGULHGCZRUSHH-CTNGQTDRSA-N 1 2 387.443 4.383 20 0 GIADLO COc1cc2c(cc1NC(=O)NCCCCn1cc[nH+]c1)oc1ccccc12 ZINC000056542390 823165139 /nfs/dbraw/zinc/16/51/39/823165139.db2.gz DVQPQXDTUSGWSV-UHFFFAOYSA-N 1 2 378.432 4.393 20 0 GIADLO O[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000187997449 823169209 /nfs/dbraw/zinc/16/92/09/823169209.db2.gz HSOZRXJWVWNNJJ-DLBZAZTESA-N 1 2 380.250 4.268 20 0 GIADLO Oc1cccc(C[NH2+]Cc2cccnc2OC2CCCC2)c1Br ZINC000459362001 823172224 /nfs/dbraw/zinc/17/22/24/823172224.db2.gz GFEWZSTTYHNTGL-UHFFFAOYSA-N 1 2 377.282 4.161 20 0 GIADLO COC(=O)c1cccnc1C[N@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000459377551 823176828 /nfs/dbraw/zinc/17/68/28/823176828.db2.gz YAJCUAXIZCQNOQ-HNNXBMFYSA-N 1 2 381.501 4.493 20 0 GIADLO COC(=O)c1cccnc1C[N@@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000459377551 823176830 /nfs/dbraw/zinc/17/68/30/823176830.db2.gz YAJCUAXIZCQNOQ-HNNXBMFYSA-N 1 2 381.501 4.493 20 0 GIADLO CCOC(=O)c1noc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1 ZINC000459390999 823181166 /nfs/dbraw/zinc/18/11/66/823181166.db2.gz UHBTYKJGXWUOPH-FPOVZHCZSA-N 1 2 391.471 4.197 20 0 GIADLO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000056613743 823181397 /nfs/dbraw/zinc/18/13/97/823181397.db2.gz APMDJJBVHWOKPR-UHFFFAOYSA-N 1 2 391.475 4.046 20 0 GIADLO C[C@@H]1[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCN1c1ccccc1 ZINC000571445003 823183460 /nfs/dbraw/zinc/18/34/60/823183460.db2.gz PTTSQDNWUXSZGK-UTKZUKDTSA-N 1 2 385.471 4.364 20 0 GIADLO CCC1(CC)Oc2ccc(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2O1 ZINC000188114836 823188605 /nfs/dbraw/zinc/18/86/05/823188605.db2.gz SRMDMMDNOUZTFT-UHFFFAOYSA-N 1 2 396.491 4.160 20 0 GIADLO O[C@H](C[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1)c1ccsc1 ZINC000176332999 823184668 /nfs/dbraw/zinc/18/46/68/823184668.db2.gz SVTFRWNHNLCJFR-QGZVFWFLSA-N 1 2 381.457 4.127 20 0 GIADLO O[C@H](C[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1)c1ccsc1 ZINC000176332999 823184671 /nfs/dbraw/zinc/18/46/71/823184671.db2.gz SVTFRWNHNLCJFR-QGZVFWFLSA-N 1 2 381.457 4.127 20 0 GIADLO COc1cccc([C@@H]([NH2+]Cc2cnc(C3CC3)nc2)c2cc(F)ccc2OC)c1 ZINC000459421700 823188928 /nfs/dbraw/zinc/18/89/28/823188928.db2.gz HBRMOZRWNTVUET-JOCHJYFZSA-N 1 2 393.462 4.390 20 0 GIADLO C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176350597 823189411 /nfs/dbraw/zinc/18/94/11/823189411.db2.gz UOSINGXKNJIXMC-ROUUACIJSA-N 1 2 378.476 4.276 20 0 GIADLO O[C@@H]([C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2)C1)C(F)(F)F ZINC000459431655 823190813 /nfs/dbraw/zinc/19/08/13/823190813.db2.gz SEEDDPYWLDGTEJ-GWCFXTLKSA-N 1 2 386.639 4.238 20 0 GIADLO O[C@@H]([C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1)C(F)(F)F ZINC000459431655 823190815 /nfs/dbraw/zinc/19/08/15/823190815.db2.gz SEEDDPYWLDGTEJ-GWCFXTLKSA-N 1 2 386.639 4.238 20 0 GIADLO COc1cccc(OC)c1CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000176394642 823198170 /nfs/dbraw/zinc/19/81/70/823198170.db2.gz BIEKZDQVNBLXBR-UHFFFAOYSA-N 1 2 391.471 4.085 20 0 GIADLO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000176396694 823198882 /nfs/dbraw/zinc/19/88/82/823198882.db2.gz COBUEQAHYRJWBO-SXSPYAJSSA-N 1 2 389.499 4.018 20 0 GIADLO COc1cc(F)c(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1OC ZINC000571528566 823196078 /nfs/dbraw/zinc/19/60/78/823196078.db2.gz YBEHHGDGKFAWON-UHFFFAOYSA-N 1 2 393.405 4.216 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(C2SCCCS2)cc1 ZINC000121538293 823201802 /nfs/dbraw/zinc/20/18/02/823201802.db2.gz GEQJJGUMKKWAHJ-UHFFFAOYSA-N 1 2 399.585 4.481 20 0 GIADLO O=C(Nc1cccc(N2CCCCC2)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000056741505 823204670 /nfs/dbraw/zinc/20/46/70/823204670.db2.gz UQQQLWOVTKAZEX-UHFFFAOYSA-N 1 2 384.549 4.088 20 0 GIADLO CCCOc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000056747203 823205644 /nfs/dbraw/zinc/20/56/44/823205644.db2.gz HROLVZGWAUEJOK-UHFFFAOYSA-N 1 2 378.476 4.350 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)Nc1ccccc1COc1ccccc1 ZINC000056747688 823205896 /nfs/dbraw/zinc/20/58/96/823205896.db2.gz VDLRUXZFVAOGTF-UHFFFAOYSA-N 1 2 376.460 4.284 20 0 GIADLO CC(C)CO[C@H](C)c1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459528609 823212221 /nfs/dbraw/zinc/21/22/21/823212221.db2.gz LABYGWZYWCMTDH-XLIONFOSSA-N 1 2 387.524 4.187 20 0 GIADLO CC(C)CO[C@H](C)c1noc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459528611 823212280 /nfs/dbraw/zinc/21/22/80/823212280.db2.gz LABYGWZYWCMTDH-YLJYHZDGSA-N 1 2 387.524 4.187 20 0 GIADLO C=CC[C@@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000188268469 823211507 /nfs/dbraw/zinc/21/15/07/823211507.db2.gz HNZVAUXWZGMCFZ-HSZRJFAPSA-N 1 2 377.532 4.198 20 0 GIADLO CC[C@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000121611877 823215656 /nfs/dbraw/zinc/21/56/56/823215656.db2.gz ITQXKOFFHPVRNR-ROUUACIJSA-N 1 2 378.394 4.274 20 0 GIADLO CCOc1cc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)cc(Cl)c1O ZINC000459555757 823219552 /nfs/dbraw/zinc/21/95/52/823219552.db2.gz INUQPCSKIMLKAN-UHFFFAOYSA-N 1 2 378.778 4.476 20 0 GIADLO Oc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)c1Br ZINC000459552153 823218946 /nfs/dbraw/zinc/21/89/46/823218946.db2.gz RRJQXVJMLXNQIF-FXAWDEMLSA-N 1 2 398.304 4.370 20 0 GIADLO CCOc1cc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc(Br)c1O ZINC000459552118 823218965 /nfs/dbraw/zinc/21/89/65/823218965.db2.gz REJHPYAUFFJYSW-HNNXBMFYSA-N 1 2 394.313 4.230 20 0 GIADLO CCOc1cc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc(Br)c1O ZINC000459552118 823218967 /nfs/dbraw/zinc/21/89/67/823218967.db2.gz REJHPYAUFFJYSW-HNNXBMFYSA-N 1 2 394.313 4.230 20 0 GIADLO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1C(F)(F)F ZINC000056853433 823224167 /nfs/dbraw/zinc/22/41/67/823224167.db2.gz VJQWHAVYPNTLPC-AWEZNQCLSA-N 1 2 392.425 4.261 20 0 GIADLO COc1ccc(-c2csc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)c2)cc1 ZINC000176515641 823226391 /nfs/dbraw/zinc/22/63/91/823226391.db2.gz NUCRPCGMWXCYIV-UHFFFAOYSA-N 1 2 396.516 4.167 20 0 GIADLO O=C(C[C@H]1CCCc2ccccc21)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000409465578 823226444 /nfs/dbraw/zinc/22/64/44/823226444.db2.gz WJOMQVOBHQWSAY-LJQANCHMSA-N 1 2 375.472 4.411 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H]1CCSc2ccc(F)cc21 ZINC000056894803 823229158 /nfs/dbraw/zinc/22/91/58/823229158.db2.gz QEKVCGZLQWXAPK-KRWDZBQOSA-N 1 2 382.464 4.048 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000056940334 823232858 /nfs/dbraw/zinc/23/28/58/823232858.db2.gz KDUMSENUYIWAFZ-HXUWFJFHSA-N 1 2 394.906 4.114 20 0 GIADLO CC[C@@H](C)c1ccc(NC(=O)C[S@@](=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000176533056 823231056 /nfs/dbraw/zinc/23/10/56/823231056.db2.gz FZJATSDJJAYXLT-RXAIFQJESA-N 1 2 383.517 4.044 20 0 GIADLO CCCOc1c(Br)cc(C[NH+]2CC(C)(CCOC)C2)cc1OC ZINC000459628880 823232372 /nfs/dbraw/zinc/23/23/72/823232372.db2.gz FNVYFXZNBMWUKB-UHFFFAOYSA-N 1 2 386.330 4.105 20 0 GIADLO Brc1ccc([C@H]([NH2+]Cc2nnc3n2CCCC3)c2ccccc2)cc1 ZINC000188406667 823235513 /nfs/dbraw/zinc/23/55/13/823235513.db2.gz JLHVTFIYDIVPOV-HXUWFJFHSA-N 1 2 397.320 4.256 20 0 GIADLO C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)c1nc2c(s1)CCC2 ZINC000459645093 823237096 /nfs/dbraw/zinc/23/70/96/823237096.db2.gz YDTQBGRCUKXUCO-SNVBAGLBSA-N 1 2 395.322 4.016 20 0 GIADLO CC(C)(C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1Br ZINC000409512929 823238000 /nfs/dbraw/zinc/23/80/00/823238000.db2.gz LALCCHPUUYKRKT-UHFFFAOYSA-N 1 2 398.304 4.229 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000571810781 823238084 /nfs/dbraw/zinc/23/80/84/823238084.db2.gz OFTJNXUREXOAQB-ZIAGYGMSSA-N 1 2 387.817 4.224 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000571810778 823238122 /nfs/dbraw/zinc/23/81/22/823238122.db2.gz OFTJNXUREXOAQB-KGLIPLIRSA-N 1 2 387.817 4.224 20 0 GIADLO COCc1nc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)cs1 ZINC000571812439 823238405 /nfs/dbraw/zinc/23/84/05/823238405.db2.gz LJUSDNRGLBMCGX-UHFFFAOYSA-N 1 2 394.500 4.333 20 0 GIADLO O=S1(=O)C[C@H]([NH2+]Cc2ccc(Sc3ccccc3)cc2)c2ccccc21 ZINC000571822759 823239738 /nfs/dbraw/zinc/23/97/38/823239738.db2.gz JSWJWJXCQDXETR-FQEVSTJZSA-N 1 2 381.522 4.456 20 0 GIADLO COc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1SC ZINC000459656837 823241820 /nfs/dbraw/zinc/24/18/20/823241820.db2.gz HNAPRQHOKQCNCD-UHFFFAOYSA-N 1 2 386.521 4.124 20 0 GIADLO O=C(NC1(c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)CCCC1)c1ccccc1 ZINC000571840616 823243397 /nfs/dbraw/zinc/24/33/97/823243397.db2.gz GIYJBESMCUJLHA-UHFFFAOYSA-N 1 2 399.454 4.122 20 0 GIADLO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(-c2cccnc2)cc1 ZINC000176601210 823245845 /nfs/dbraw/zinc/24/58/45/823245845.db2.gz QJQSUBIRKCIIPV-GOSISDBHSA-N 1 2 389.503 4.396 20 0 GIADLO O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000409545491 823247129 /nfs/dbraw/zinc/24/71/29/823247129.db2.gz QFKSDHVDIFYYEP-UHFFFAOYSA-N 1 2 383.455 4.324 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@H+](C)CC3CC3)nc2-c2ccccn2)c(C)c1 ZINC000057088953 823248520 /nfs/dbraw/zinc/24/85/20/823248520.db2.gz OUDLPXNCRQQALK-UHFFFAOYSA-N 1 2 379.533 4.381 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@@H+](C)CC3CC3)nc2-c2ccccn2)c(C)c1 ZINC000057088953 823248524 /nfs/dbraw/zinc/24/85/24/823248524.db2.gz OUDLPXNCRQQALK-UHFFFAOYSA-N 1 2 379.533 4.381 20 0 GIADLO COc1ccc(C[N@H+](Cn2nc(-c3ccccc3)ccc2=O)[C@H](C)C2CC2)cc1 ZINC000057100259 823249403 /nfs/dbraw/zinc/24/94/03/823249403.db2.gz FSGIWLSFQPNFRE-GOSISDBHSA-N 1 2 389.499 4.177 20 0 GIADLO COc1ccc(C[N@@H+](Cn2nc(-c3ccccc3)ccc2=O)[C@H](C)C2CC2)cc1 ZINC000057100259 823249406 /nfs/dbraw/zinc/24/94/06/823249406.db2.gz FSGIWLSFQPNFRE-GOSISDBHSA-N 1 2 389.499 4.177 20 0 GIADLO COc1cc(OC)c(NCc2ccc(-n3cc[nH+]c3)cc2)cc1Br ZINC000121784811 823250814 /nfs/dbraw/zinc/25/08/14/823250814.db2.gz GCLBLOLFNQVPNU-UHFFFAOYSA-N 1 2 388.265 4.264 20 0 GIADLO Cc1sc(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)nc1-c1ccccc1 ZINC000176626514 823252177 /nfs/dbraw/zinc/25/21/77/823252177.db2.gz HVNWRSGMVLFBOH-UHFFFAOYSA-N 1 2 388.496 4.277 20 0 GIADLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000121797895 823253780 /nfs/dbraw/zinc/25/37/80/823253780.db2.gz KSSJOLJDZOGTTA-UHFFFAOYSA-N 1 2 382.533 4.281 20 0 GIADLO Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)n1 ZINC000176658611 823259716 /nfs/dbraw/zinc/25/97/16/823259716.db2.gz GDBUHYAKLMKOPQ-GOSISDBHSA-N 1 2 385.471 4.166 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ncc(-c2ccccc2)s1 ZINC000409637035 823269414 /nfs/dbraw/zinc/26/94/14/823269414.db2.gz DRFOGJZDSFRWJN-UHFFFAOYSA-N 1 2 393.447 4.457 20 0 GIADLO CCSCc1cc[nH+]c(NCc2c(Cl)cccc2N2CCOCC2)c1 ZINC000572020119 823269970 /nfs/dbraw/zinc/26/99/70/823269970.db2.gz LBRFOZXDNNMPPF-UHFFFAOYSA-N 1 2 377.941 4.437 20 0 GIADLO C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000188607553 823271620 /nfs/dbraw/zinc/27/16/20/823271620.db2.gz PJMRCJLOFUANQG-BBWFWOEESA-N 1 2 397.523 4.107 20 0 GIADLO C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000188607553 823271624 /nfs/dbraw/zinc/27/16/24/823271624.db2.gz PJMRCJLOFUANQG-BBWFWOEESA-N 1 2 397.523 4.107 20 0 GIADLO C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000188607599 823271904 /nfs/dbraw/zinc/27/19/04/823271904.db2.gz PJMRCJLOFUANQG-ZACQAIPSSA-N 1 2 397.523 4.107 20 0 GIADLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000572037446 823272371 /nfs/dbraw/zinc/27/23/71/823272371.db2.gz ICCKWHHQIXNRJI-CWTRNNRKSA-N 1 2 384.277 4.451 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cc(F)ccc1Br ZINC000176709300 823273733 /nfs/dbraw/zinc/27/37/33/823273733.db2.gz IZMUYQLPEYNTDH-UHFFFAOYSA-N 1 2 389.228 4.096 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000057342458 823280745 /nfs/dbraw/zinc/28/07/45/823280745.db2.gz UWZMQQWZTVIKNT-UHFFFAOYSA-N 1 2 388.393 4.466 20 0 GIADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409697562 823284999 /nfs/dbraw/zinc/28/49/99/823284999.db2.gz AWPLRMSOLGXDHO-XLIONFOSSA-N 1 2 399.853 4.059 20 0 GIADLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)c1C ZINC000007267925 817807985 /nfs/dbraw/zinc/80/79/85/817807985.db2.gz PAGBJGBTZUCEJO-UHFFFAOYSA-N 1 2 378.472 4.097 20 0 GIADLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)c1C ZINC000007267925 817807993 /nfs/dbraw/zinc/80/79/93/817807993.db2.gz PAGBJGBTZUCEJO-UHFFFAOYSA-N 1 2 378.472 4.097 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N3CC[C@@H](C4CCOCC4)C3)c12 ZINC000409717758 823289799 /nfs/dbraw/zinc/28/97/99/823289799.db2.gz SEAFXSDHVJSGHG-CYBMUJFWSA-N 1 2 379.273 4.389 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@H]1CCc2ccccc21 ZINC000409721212 823290396 /nfs/dbraw/zinc/29/03/96/823290396.db2.gz GGTPRUFNVDMIJI-IBGZPJMESA-N 1 2 389.524 4.370 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@H]1CCc2ccccc21 ZINC000409721212 823290400 /nfs/dbraw/zinc/29/04/00/823290400.db2.gz GGTPRUFNVDMIJI-IBGZPJMESA-N 1 2 389.524 4.370 20 0 GIADLO COc1ccc(-c2nc(C[NH+]3CCN(c4cccc(OC)c4)CC3)cs2)cc1 ZINC000007355941 817822525 /nfs/dbraw/zinc/82/25/25/817822525.db2.gz PWMBGXGULOBGRK-UHFFFAOYSA-N 1 2 395.528 4.150 20 0 GIADLO O=C(Cc1cccc(OC(F)F)c1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000409769453 823303144 /nfs/dbraw/zinc/30/31/44/823303144.db2.gz XDDBVLPAODRABY-UHFFFAOYSA-N 1 2 377.778 4.308 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@@H+](C)[C@@H](C)C3(C)CC3)c2=S)c1 ZINC000176830972 823304562 /nfs/dbraw/zinc/30/45/62/823304562.db2.gz HWYHKRAQRDXZAM-AWEZNQCLSA-N 1 2 399.564 4.317 20 0 GIADLO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@H+](C)[C@@H](C)C3(C)CC3)c2=S)c1 ZINC000176830972 823304565 /nfs/dbraw/zinc/30/45/65/823304565.db2.gz HWYHKRAQRDXZAM-AWEZNQCLSA-N 1 2 399.564 4.317 20 0 GIADLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000008120245 818003253 /nfs/dbraw/zinc/00/32/53/818003253.db2.gz COAQOKUENSURCJ-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000008120245 818003260 /nfs/dbraw/zinc/00/32/60/818003260.db2.gz COAQOKUENSURCJ-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(C(C)C)c2)ccc1OC(F)F ZINC000011220216 818063115 /nfs/dbraw/zinc/06/31/15/818063115.db2.gz RBJNUXGWSXEZHQ-UHFFFAOYSA-N 1 2 392.446 4.491 20 0 GIADLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C(C)C)c2)ccc1OC(F)F ZINC000011220216 818063121 /nfs/dbraw/zinc/06/31/21/818063121.db2.gz RBJNUXGWSXEZHQ-UHFFFAOYSA-N 1 2 392.446 4.491 20 0 GIADLO CC(C)COc1ccccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409796406 823309594 /nfs/dbraw/zinc/30/95/94/823309594.db2.gz XVGKCIGGQQVZDE-UHFFFAOYSA-N 1 2 382.439 4.368 20 0 GIADLO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057570150 823310745 /nfs/dbraw/zinc/31/07/45/823310745.db2.gz NSNIKCVSGSSZSY-MSOLQXFVSA-N 1 2 383.511 4.488 20 0 GIADLO CCOc1ccc(C(F)(F)F)cc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000409811915 823314078 /nfs/dbraw/zinc/31/40/78/823314078.db2.gz OEGYAPRIDGZJRX-UHFFFAOYSA-N 1 2 382.386 4.123 20 0 GIADLO COc1ccc([C@@H](NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C(C)C)cc1 ZINC000057609328 823314197 /nfs/dbraw/zinc/31/41/97/823314197.db2.gz KWRGWGUUDHWPRE-FQEVSTJZSA-N 1 2 385.508 4.254 20 0 GIADLO CCc1nn(C)c(CC)c1C[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000122158335 823314556 /nfs/dbraw/zinc/31/45/56/823314556.db2.gz MHZHETWLRLCJRY-UHFFFAOYSA-N 1 2 397.350 4.312 20 0 GIADLO CCc1nn(C)c(CC)c1C[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000122158335 823314560 /nfs/dbraw/zinc/31/45/60/823314560.db2.gz MHZHETWLRLCJRY-UHFFFAOYSA-N 1 2 397.350 4.312 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000012807509 818183400 /nfs/dbraw/zinc/18/34/00/818183400.db2.gz KGMUJAPDMHKFRX-UHFFFAOYSA-N 1 2 385.464 4.028 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000012807509 818183405 /nfs/dbraw/zinc/18/34/05/818183405.db2.gz KGMUJAPDMHKFRX-UHFFFAOYSA-N 1 2 385.464 4.028 20 0 GIADLO Fc1ccc(C[N@H+](CCc2ccccn2)Cc2nc(-c3ccco3)no2)cc1 ZINC000057660780 823319431 /nfs/dbraw/zinc/31/94/31/823319431.db2.gz ADFISWBJUKDONB-UHFFFAOYSA-N 1 2 378.407 4.109 20 0 GIADLO Fc1ccc(C[N@@H+](CCc2ccccn2)Cc2nc(-c3ccco3)no2)cc1 ZINC000057660780 823319438 /nfs/dbraw/zinc/31/94/38/823319438.db2.gz ADFISWBJUKDONB-UHFFFAOYSA-N 1 2 378.407 4.109 20 0 GIADLO O=C(c1ccc(Oc2ccc(Cl)cc2)cn1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000572352346 823326033 /nfs/dbraw/zinc/32/60/33/823326033.db2.gz MNGNBVHHROYWKC-INIZCTEOSA-N 1 2 382.851 4.029 20 0 GIADLO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000014303183 818232911 /nfs/dbraw/zinc/23/29/11/818232911.db2.gz VAFVWTOQWMTWPO-UHFFFAOYSA-N 1 2 395.890 4.261 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccccc2Br)s1 ZINC000122215094 823322559 /nfs/dbraw/zinc/32/25/59/823322559.db2.gz IDZKEBUOOXNVKE-LBPRGKRZSA-N 1 2 396.354 4.408 20 0 GIADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccccc2Br)s1 ZINC000122215094 823322565 /nfs/dbraw/zinc/32/25/65/823322565.db2.gz IDZKEBUOOXNVKE-LBPRGKRZSA-N 1 2 396.354 4.408 20 0 GIADLO CC(C)Oc1cccc([C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C(F)F)c1 ZINC000572345302 823325121 /nfs/dbraw/zinc/32/51/21/823325121.db2.gz ZSDGXLPQBPYLMH-IBGZPJMESA-N 1 2 392.446 4.267 20 0 GIADLO FC(F)(F)c1ccc(C[NH+]2CCN(C(=S)Nc3ccccc3)CC2)cc1 ZINC000015152058 818295766 /nfs/dbraw/zinc/29/57/66/818295766.db2.gz IWQBXVPGPSRQOK-UHFFFAOYSA-N 1 2 379.451 4.220 20 0 GIADLO Cc1cc(N2CCN(C(=S)Nc3cccc(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000015152956 818295819 /nfs/dbraw/zinc/29/58/19/818295819.db2.gz XYBVETJRJIAZOT-UHFFFAOYSA-N 1 2 389.956 4.081 20 0 GIADLO CCC[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000015294148 818307124 /nfs/dbraw/zinc/30/71/24/818307124.db2.gz LRGLAMTWDWFGBC-DYESRHJHSA-N 1 2 396.531 4.108 20 0 GIADLO CCC[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000015294148 818307128 /nfs/dbraw/zinc/30/71/28/818307128.db2.gz LRGLAMTWDWFGBC-DYESRHJHSA-N 1 2 396.531 4.108 20 0 GIADLO CCC[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000015294152 818307633 /nfs/dbraw/zinc/30/76/33/818307633.db2.gz LRGLAMTWDWFGBC-LAUBAEHRSA-N 1 2 396.531 4.108 20 0 GIADLO CCC[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000015294152 818307642 /nfs/dbraw/zinc/30/76/42/818307642.db2.gz LRGLAMTWDWFGBC-LAUBAEHRSA-N 1 2 396.531 4.108 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)c(OC)c1 ZINC000015298354 818308362 /nfs/dbraw/zinc/30/83/62/818308362.db2.gz BFMLIIBKOHSYJW-NRFANRHFSA-N 1 2 384.520 4.039 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)c(OC)c1 ZINC000015298354 818308371 /nfs/dbraw/zinc/30/83/71/818308371.db2.gz BFMLIIBKOHSYJW-NRFANRHFSA-N 1 2 384.520 4.039 20 0 GIADLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000015298560 818308711 /nfs/dbraw/zinc/30/87/11/818308711.db2.gz GTGVJDJSMSFEFM-CYBMUJFWSA-N 1 2 381.303 4.311 20 0 GIADLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000015298560 818308721 /nfs/dbraw/zinc/30/87/21/818308721.db2.gz GTGVJDJSMSFEFM-CYBMUJFWSA-N 1 2 381.303 4.311 20 0 GIADLO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000015298561 818308808 /nfs/dbraw/zinc/30/88/08/818308808.db2.gz GTGVJDJSMSFEFM-ZDUSSCGKSA-N 1 2 381.303 4.311 20 0 GIADLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000015298561 818308812 /nfs/dbraw/zinc/30/88/12/818308812.db2.gz GTGVJDJSMSFEFM-ZDUSSCGKSA-N 1 2 381.303 4.311 20 0 GIADLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[C@H](c2ccc(OC)c(F)c2)C1 ZINC000409857739 823327995 /nfs/dbraw/zinc/32/79/95/823327995.db2.gz IHESPUAHTOMAHY-SZVBFZGTSA-N 1 2 391.870 4.108 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000015547362 818336398 /nfs/dbraw/zinc/33/63/98/818336398.db2.gz KXGFCJROSJKQBE-IBGZPJMESA-N 1 2 399.560 4.178 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000015547362 818336405 /nfs/dbraw/zinc/33/64/05/818336405.db2.gz KXGFCJROSJKQBE-IBGZPJMESA-N 1 2 399.560 4.178 20 0 GIADLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3F)no2)cc1OC ZINC000188938909 823330728 /nfs/dbraw/zinc/33/07/28/823330728.db2.gz MYZSZNXIQCJEQB-KRWDZBQOSA-N 1 2 383.423 4.230 20 0 GIADLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3F)no2)cc1OC ZINC000188938909 823330733 /nfs/dbraw/zinc/33/07/33/823330733.db2.gz MYZSZNXIQCJEQB-KRWDZBQOSA-N 1 2 383.423 4.230 20 0 GIADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccn2-c2c(Cl)cccc2Cl)C1 ZINC000409874651 823332625 /nfs/dbraw/zinc/33/26/25/823332625.db2.gz LBGSGGINPLKNFA-ZDUSSCGKSA-N 1 2 389.286 4.147 20 0 GIADLO COc1ccccc1-c1nn(C[N@H+](Cc2ccccc2)C(C)C)c(=S)n1C ZINC000016081417 818390225 /nfs/dbraw/zinc/39/02/25/818390225.db2.gz KADJSDZYQVOANJ-UHFFFAOYSA-N 1 2 382.533 4.495 20 0 GIADLO COc1ccccc1-c1nn(C[N@@H+](Cc2ccccc2)C(C)C)c(=S)n1C ZINC000016081417 818390231 /nfs/dbraw/zinc/39/02/31/818390231.db2.gz KADJSDZYQVOANJ-UHFFFAOYSA-N 1 2 382.533 4.495 20 0 GIADLO Cc1c2cc(F)ccc2oc1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000016103441 818393707 /nfs/dbraw/zinc/39/37/07/818393707.db2.gz CDUSFELDOFGSSS-UHFFFAOYSA-N 1 2 396.466 4.065 20 0 GIADLO C[C@@H](CC(=O)N1CCC(c2cccc(Br)c2)CC1)n1cc[nH+]c1 ZINC000572410345 823334680 /nfs/dbraw/zinc/33/46/80/823334680.db2.gz XMANSQUIMFNLJT-AWEZNQCLSA-N 1 2 376.298 4.003 20 0 GIADLO COc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c(F)c1 ZINC000016237651 818408215 /nfs/dbraw/zinc/40/82/15/818408215.db2.gz GESJPRDYJTXVDK-UHFFFAOYSA-N 1 2 397.475 4.101 20 0 GIADLO COc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c(F)c1 ZINC000016237651 818408219 /nfs/dbraw/zinc/40/82/19/818408219.db2.gz GESJPRDYJTXVDK-UHFFFAOYSA-N 1 2 397.475 4.101 20 0 GIADLO Cc1c[nH+]c2cc(C(=O)Nc3cc(Cl)ccc3C(=O)N3CCCCC3)ccn12 ZINC000572421084 823336599 /nfs/dbraw/zinc/33/65/99/823336599.db2.gz SPMXDLUCGMDAJU-UHFFFAOYSA-N 1 2 396.878 4.175 20 0 GIADLO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000572428000 823337116 /nfs/dbraw/zinc/33/71/16/823337116.db2.gz JJVPJVHHKBDTBJ-SJLPKXTDSA-N 1 2 379.426 4.162 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)NCCc1ccc(Cl)cc1 ZINC000016588921 818456950 /nfs/dbraw/zinc/45/69/50/818456950.db2.gz APUBTBKVLYPIQJ-GOSISDBHSA-N 1 2 399.947 4.446 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)NCCc1ccc(Cl)cc1 ZINC000016588921 818456953 /nfs/dbraw/zinc/45/69/53/818456953.db2.gz APUBTBKVLYPIQJ-GOSISDBHSA-N 1 2 399.947 4.446 20 0 GIADLO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c1C ZINC000016632408 818461275 /nfs/dbraw/zinc/46/12/75/818461275.db2.gz WIUJIYYRTXGEDA-UHFFFAOYSA-N 1 2 383.275 4.040 20 0 GIADLO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c1C ZINC000016632408 818461281 /nfs/dbraw/zinc/46/12/81/818461281.db2.gz WIUJIYYRTXGEDA-UHFFFAOYSA-N 1 2 383.275 4.040 20 0 GIADLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)cc(OC)c1 ZINC000016632495 818461299 /nfs/dbraw/zinc/46/12/99/818461299.db2.gz ZQKZKEPBDMMKPD-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)cc(OC)c1 ZINC000016632495 818461300 /nfs/dbraw/zinc/46/13/00/818461300.db2.gz ZQKZKEPBDMMKPD-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO Cc1cccc(Nc2ccccc2C(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000016638082 818461813 /nfs/dbraw/zinc/46/18/13/818461813.db2.gz CFDKEJNFOWOOBY-UHFFFAOYSA-N 1 2 386.499 4.404 20 0 GIADLO COc1cc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)cc(OC)c1O ZINC000572444560 823340248 /nfs/dbraw/zinc/34/02/48/823340248.db2.gz YYFUWPMOEBEWBL-GOSISDBHSA-N 1 2 381.476 4.023 20 0 GIADLO COc1cc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)cc(OC)c1O ZINC000572444560 823340255 /nfs/dbraw/zinc/34/02/55/823340255.db2.gz YYFUWPMOEBEWBL-GOSISDBHSA-N 1 2 381.476 4.023 20 0 GIADLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)[nH+]1 ZINC000017002047 818497145 /nfs/dbraw/zinc/49/71/45/818497145.db2.gz QXGWWISEIZXDFN-QMMMGPOBSA-N 1 2 390.818 4.159 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccnn1C1CCCCC1 ZINC000122350669 823342417 /nfs/dbraw/zinc/34/24/17/823342417.db2.gz PCCVYHHJUXVRPT-UHFFFAOYSA-N 1 2 382.512 4.095 20 0 GIADLO Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cc[nH+]1 ZINC000017820759 818528039 /nfs/dbraw/zinc/52/80/39/818528039.db2.gz XYETWAMCFZEKLD-UHFFFAOYSA-N 1 2 391.814 4.096 20 0 GIADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000018174730 818554124 /nfs/dbraw/zinc/55/41/24/818554124.db2.gz OPFLTQTZOVCBCY-UHFFFAOYSA-N 1 2 394.302 4.147 20 0 GIADLO COc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020543172 818624599 /nfs/dbraw/zinc/62/45/99/818624599.db2.gz SRZQQNKWULAWHM-UHFFFAOYSA-N 1 2 393.409 4.064 20 0 GIADLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000020543288 818624881 /nfs/dbraw/zinc/62/48/81/818624881.db2.gz NSHHNPRQTJJTPA-UHFFFAOYSA-N 1 2 375.472 4.198 20 0 GIADLO Cc1ccc(C[C@H](C)NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000572499443 823350120 /nfs/dbraw/zinc/35/01/20/823350120.db2.gz PLXCMOGQACPTCE-RDJZCZTQSA-N 1 2 386.565 4.110 20 0 GIADLO Cc1ccc(F)cc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000021529990 818700197 /nfs/dbraw/zinc/70/01/97/818700197.db2.gz PUTAGXDMOGBKDR-UHFFFAOYSA-N 1 2 381.476 4.401 20 0 GIADLO Cc1ccc(F)cc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000021529990 818700206 /nfs/dbraw/zinc/70/02/06/818700206.db2.gz PUTAGXDMOGBKDR-UHFFFAOYSA-N 1 2 381.476 4.401 20 0 GIADLO COc1ccccc1C[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000021579903 818707346 /nfs/dbraw/zinc/70/73/46/818707346.db2.gz FZHLFNHVARIKIL-HSZRJFAPSA-N 1 2 388.511 4.227 20 0 GIADLO COc1ccccc1C[N@@H+](C)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000021579903 818707353 /nfs/dbraw/zinc/70/73/53/818707353.db2.gz FZHLFNHVARIKIL-HSZRJFAPSA-N 1 2 388.511 4.227 20 0 GIADLO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(Br)cc3)n2)cc1 ZINC000021581294 818707993 /nfs/dbraw/zinc/70/79/93/818707993.db2.gz IWCQIUICRYXUMD-UHFFFAOYSA-N 1 2 388.265 4.140 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(Br)cc3)n2)cc1 ZINC000021581294 818707997 /nfs/dbraw/zinc/70/79/97/818707997.db2.gz IWCQIUICRYXUMD-UHFFFAOYSA-N 1 2 388.265 4.140 20 0 GIADLO CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3cccc4[nH+]ccn43)c2)no1 ZINC000460339792 823357934 /nfs/dbraw/zinc/35/79/34/823357934.db2.gz FIJKKOCPHGRUGN-UHFFFAOYSA-N 1 2 375.432 4.225 20 0 GIADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000460339298 823357960 /nfs/dbraw/zinc/35/79/60/823357960.db2.gz BOMIVXNBZDBVFF-FQEVSTJZSA-N 1 2 379.366 4.371 20 0 GIADLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c(C)s1 ZINC000021708341 818728536 /nfs/dbraw/zinc/72/85/36/818728536.db2.gz ZRIIIMRJXHAAQH-UHFFFAOYSA-N 1 2 382.451 4.342 20 0 GIADLO COc1ccc(NC(=O)[C@H]([NH2+]Cc2cccnc2)c2ccccc2)cc1Cl ZINC000021819370 818739543 /nfs/dbraw/zinc/73/95/43/818739543.db2.gz QGQOHKKWJBGBPX-HXUWFJFHSA-N 1 2 381.863 4.213 20 0 GIADLO Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)c2cc(Br)ccc2n1 ZINC000460345252 823359638 /nfs/dbraw/zinc/35/96/38/823359638.db2.gz GCFUNZITJWGPND-UHFFFAOYSA-N 1 2 381.233 4.206 20 0 GIADLO CC(C)(C)c1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000021935152 818757451 /nfs/dbraw/zinc/75/74/51/818757451.db2.gz YNUVIJFSJSGZMQ-UHFFFAOYSA-N 1 2 394.559 4.065 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000022014905 818763655 /nfs/dbraw/zinc/76/36/55/818763655.db2.gz SHIBHDOOSYOGLU-HZPDHXFCSA-N 1 2 385.895 4.018 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000022014905 818763659 /nfs/dbraw/zinc/76/36/59/818763659.db2.gz SHIBHDOOSYOGLU-HZPDHXFCSA-N 1 2 385.895 4.018 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(F)cc1Br ZINC000022289991 818790219 /nfs/dbraw/zinc/79/02/19/818790219.db2.gz MMXIZBDGGIRJIG-UHFFFAOYSA-N 1 2 398.301 4.283 20 0 GIADLO Cc1cc(Cl)ccc1OCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289414 818790308 /nfs/dbraw/zinc/79/03/08/818790308.db2.gz QBSAIGSPMHEEIT-UHFFFAOYSA-N 1 2 379.913 4.108 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)CCc3nc4ccccc4o3)n2)CC1 ZINC000022291736 818790861 /nfs/dbraw/zinc/79/08/61/818790861.db2.gz IKMBUHOWLRHPQT-UHFFFAOYSA-N 1 2 384.505 4.088 20 0 GIADLO COc1ccc(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000409993281 823365480 /nfs/dbraw/zinc/36/54/80/823365480.db2.gz QDAGRRGOKDRESZ-UHFFFAOYSA-N 1 2 384.867 4.279 20 0 GIADLO Cc1nn(C)c(C[NH+]2CCC(c3cccc(F)c3F)CC2)c1Br ZINC000572588517 823366110 /nfs/dbraw/zinc/36/61/10/823366110.db2.gz HQKGJQVXPRLJHS-UHFFFAOYSA-N 1 2 384.268 4.149 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000572603833 823368152 /nfs/dbraw/zinc/36/81/52/823368152.db2.gz LEZMUIPFHSSSLR-TZIWHRDSSA-N 1 2 380.536 4.335 20 0 GIADLO Fc1ccc(-c2nc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)no2)c(F)c1 ZINC000189168272 823369103 /nfs/dbraw/zinc/36/91/03/823369103.db2.gz MMCQNRCNOFIRKM-LIRRHRJNSA-N 1 2 385.414 4.272 20 0 GIADLO Cn1c(COc2ccccc2Cl)nn(C[N@H+](C)CC2CCCC2)c1=S ZINC000058207599 823369152 /nfs/dbraw/zinc/36/91/52/823369152.db2.gz QGSZVDSBOJPBGF-UHFFFAOYSA-N 1 2 380.945 4.263 20 0 GIADLO Cn1c(COc2ccccc2Cl)nn(C[N@@H+](C)CC2CCCC2)c1=S ZINC000058207599 823369159 /nfs/dbraw/zinc/36/91/59/823369159.db2.gz QGSZVDSBOJPBGF-UHFFFAOYSA-N 1 2 380.945 4.263 20 0 GIADLO CC(C)(CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(Cl)c1 ZINC000058238352 823370775 /nfs/dbraw/zinc/37/07/75/823370775.db2.gz KPMSUWHWTHFVRW-UHFFFAOYSA-N 1 2 382.895 4.303 20 0 GIADLO O=C(c1ccc(C2SCCS2)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023417436 818938505 /nfs/dbraw/zinc/93/85/05/818938505.db2.gz HBZVKAIHFMEWOQ-UHFFFAOYSA-N 1 2 390.599 4.185 20 0 GIADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000572657077 823376765 /nfs/dbraw/zinc/37/67/65/823376765.db2.gz UIQROHQBHXTGOP-AUUYWEPGSA-N 1 2 398.308 4.008 20 0 GIADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000572657077 823376770 /nfs/dbraw/zinc/37/67/70/823376770.db2.gz UIQROHQBHXTGOP-AUUYWEPGSA-N 1 2 398.308 4.008 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)c3csc(-c4ccc(Cl)cc4)n3)sc2C1 ZINC000058304314 823376810 /nfs/dbraw/zinc/37/68/10/823376810.db2.gz XNSIOOQFVAIJEQ-UHFFFAOYSA-N 1 2 390.921 4.160 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)c3csc(-c4ccc(Cl)cc4)n3)sc2C1 ZINC000058304314 823376817 /nfs/dbraw/zinc/37/68/17/823376817.db2.gz XNSIOOQFVAIJEQ-UHFFFAOYSA-N 1 2 390.921 4.160 20 0 GIADLO O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023890439 818990156 /nfs/dbraw/zinc/99/01/56/818990156.db2.gz NZJDLTVHRLXFNB-UHFFFAOYSA-N 1 2 394.381 4.377 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@H+](Cn1cnc3cc(F)c(F)cc31)CC2 ZINC000024460870 819059489 /nfs/dbraw/zinc/05/94/89/819059489.db2.gz LENVPIFGHUCNLD-UHFFFAOYSA-N 1 2 387.430 4.128 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cn1cnc3cc(F)c(F)cc31)CC2 ZINC000024460870 819059496 /nfs/dbraw/zinc/05/94/96/819059496.db2.gz LENVPIFGHUCNLD-UHFFFAOYSA-N 1 2 387.430 4.128 20 0 GIADLO CC(C)Cn1ncnc1C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000572774149 823396458 /nfs/dbraw/zinc/39/64/58/823396458.db2.gz VMISYUKHRHFVTD-UHFFFAOYSA-N 1 2 382.430 4.212 20 0 GIADLO Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000410149190 823402239 /nfs/dbraw/zinc/40/22/39/823402239.db2.gz HMWGPIOJSHBBBQ-CQSZACIVSA-N 1 2 393.940 4.497 20 0 GIADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000572828667 823406254 /nfs/dbraw/zinc/40/62/54/823406254.db2.gz XADJQZHECCCXPV-KEYYUXOJSA-N 1 2 393.560 4.376 20 0 GIADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000572828667 823406257 /nfs/dbraw/zinc/40/62/57/823406257.db2.gz XADJQZHECCCXPV-KEYYUXOJSA-N 1 2 393.560 4.376 20 0 GIADLO COc1cccc([C@H](C)CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000177241621 823408009 /nfs/dbraw/zinc/40/80/09/823408009.db2.gz CBJHLICOJFNRMM-GOSISDBHSA-N 1 2 381.520 4.281 20 0 GIADLO CCOC(=O)c1ccsc1NC(=O)C[N@H+](C)Cc1csc2ccccc12 ZINC000058582388 823412397 /nfs/dbraw/zinc/41/23/97/823412397.db2.gz KFIXAVPXQIPHQG-UHFFFAOYSA-N 1 2 388.514 4.210 20 0 GIADLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+](C)Cc1csc2ccccc12 ZINC000058582388 823412399 /nfs/dbraw/zinc/41/23/99/823412399.db2.gz KFIXAVPXQIPHQG-UHFFFAOYSA-N 1 2 388.514 4.210 20 0 GIADLO O=C(NCCc1nc2cc(Cl)ccc2s1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410195316 823416218 /nfs/dbraw/zinc/41/62/18/823416218.db2.gz YMOHYGRGPBGGME-UHFFFAOYSA-N 1 2 396.903 4.167 20 0 GIADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)c(C)c1 ZINC000572900287 823416913 /nfs/dbraw/zinc/41/69/13/823416913.db2.gz MIGHAXIKPFHHBC-RTWAWAEBSA-N 1 2 378.520 4.215 20 0 GIADLO CCCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OCCC ZINC000122816657 823417787 /nfs/dbraw/zinc/41/77/87/823417787.db2.gz BEUIZMTWASYQBX-IEBWSBKVSA-N 1 2 385.508 4.184 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2cc3ccccc3[nH]2)C[C@H](C)O1 ZINC000058628788 823419526 /nfs/dbraw/zinc/41/95/26/823419526.db2.gz AUPFXAFEZWQUAL-CALCHBBNSA-N 1 2 392.503 4.099 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2cc3ccccc3[nH]2)C[C@H](C)O1 ZINC000058628788 823419529 /nfs/dbraw/zinc/41/95/29/823419529.db2.gz AUPFXAFEZWQUAL-CALCHBBNSA-N 1 2 392.503 4.099 20 0 GIADLO Cc1cc([C@H](NC(=O)N2CCn3c[nH+]cc3C2)c2ccccc2Cl)ccc1F ZINC000460527826 823420244 /nfs/dbraw/zinc/42/02/44/823420244.db2.gz YWSGHGMZKKCJLN-FQEVSTJZSA-N 1 2 398.869 4.299 20 0 GIADLO COc1ccccc1-c1nc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000058686706 823430949 /nfs/dbraw/zinc/43/09/49/823430949.db2.gz AKFQLLBRAPAJHY-UHFFFAOYSA-N 1 2 376.441 4.257 20 0 GIADLO CSc1ccc([C@H](C)NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000410245928 823432648 /nfs/dbraw/zinc/43/26/48/823432648.db2.gz WVDYLMJKCRIFNG-NSHDSACASA-N 1 2 375.444 4.222 20 0 GIADLO COc1ccc(-c2nc(CN3CC[NH+](Cc4cccc(Cl)c4)CC3)co2)cc1 ZINC000024595112 819854542 /nfs/dbraw/zinc/85/45/42/819854542.db2.gz KHTWLRMTTMHBNM-UHFFFAOYSA-N 1 2 397.906 4.321 20 0 GIADLO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000024687773 819865245 /nfs/dbraw/zinc/86/52/45/819865245.db2.gz WOZUSJHCICNLRE-LLVKDONJSA-N 1 2 398.454 4.350 20 0 GIADLO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000024687773 819865260 /nfs/dbraw/zinc/86/52/60/819865260.db2.gz WOZUSJHCICNLRE-LLVKDONJSA-N 1 2 398.454 4.350 20 0 GIADLO Cc1cc2c(ncnc2N2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)s1 ZINC000189513603 823434802 /nfs/dbraw/zinc/43/48/02/823434802.db2.gz IHDAHCNFSVVUGK-CQSZACIVSA-N 1 2 379.489 4.024 20 0 GIADLO Cc1cc(C)c(C)c(OCCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410254471 823435515 /nfs/dbraw/zinc/43/55/15/823435515.db2.gz FUWBOFBVOAHOEN-HXUWFJFHSA-N 1 2 395.547 4.320 20 0 GIADLO Cc1cc(C)c(C)c(OCCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410254464 823435559 /nfs/dbraw/zinc/43/55/59/823435559.db2.gz FUWBOFBVOAHOEN-FQEVSTJZSA-N 1 2 395.547 4.320 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CSCc3ccc(F)cc3)n2)C1 ZINC000024886479 819889268 /nfs/dbraw/zinc/88/92/68/819889268.db2.gz VBBCPXSKCQHMFX-AWEZNQCLSA-N 1 2 393.553 4.386 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CSCc3ccc(F)cc3)n2)C1 ZINC000024886479 819889278 /nfs/dbraw/zinc/88/92/78/819889278.db2.gz VBBCPXSKCQHMFX-AWEZNQCLSA-N 1 2 393.553 4.386 20 0 GIADLO Cc1ccccc1OCCCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410255610 823436181 /nfs/dbraw/zinc/43/61/81/823436181.db2.gz IONHKNDNYBEZDS-LJQANCHMSA-N 1 2 381.520 4.093 20 0 GIADLO O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410257729 823436876 /nfs/dbraw/zinc/43/68/76/823436876.db2.gz SASOPKIHQQGYOX-LEWJYISDSA-N 1 2 393.531 4.133 20 0 GIADLO CCOc1ccc(SCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410257389 823436934 /nfs/dbraw/zinc/43/69/34/823436934.db2.gz NISKCUIHHDPZKW-QGZVFWFLSA-N 1 2 399.560 4.116 20 0 GIADLO Cc1ccc(C)c(OCCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410258474 823437600 /nfs/dbraw/zinc/43/76/00/823437600.db2.gz VTDLRBGLMSPUGN-LJQANCHMSA-N 1 2 381.520 4.011 20 0 GIADLO Cc1ccc(S[C@@H](C)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410259102 823437622 /nfs/dbraw/zinc/43/76/22/823437622.db2.gz AMJGFDOVCXHQTI-ROUUACIJSA-N 1 2 383.561 4.415 20 0 GIADLO C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025058505 819917764 /nfs/dbraw/zinc/91/77/64/819917764.db2.gz LIBOVCGNLFDZTE-QGZVFWFLSA-N 1 2 394.540 4.109 20 0 GIADLO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025058743 819917826 /nfs/dbraw/zinc/91/78/26/819917826.db2.gz OOFRRWPOBXCOSY-QGZVFWFLSA-N 1 2 387.483 4.157 20 0 GIADLO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025058748 819917926 /nfs/dbraw/zinc/91/79/26/819917926.db2.gz OOFRRWPOBXCOSY-KRWDZBQOSA-N 1 2 387.483 4.157 20 0 GIADLO Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C ZINC000410260787 823438122 /nfs/dbraw/zinc/43/81/22/823438122.db2.gz VVRLWTGXJZMDPO-HXUWFJFHSA-N 1 2 393.531 4.205 20 0 GIADLO COc1ccccc1Oc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1F ZINC000122950717 823438838 /nfs/dbraw/zinc/43/88/38/823438838.db2.gz LZDXDWLKXYBMIX-UHFFFAOYSA-N 1 2 398.438 4.377 20 0 GIADLO CC[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C[C@@H](O)C(F)(F)F ZINC000189534004 823439066 /nfs/dbraw/zinc/43/90/66/823439066.db2.gz ULVARYZPMZTIRJ-QGZVFWFLSA-N 1 2 388.817 4.059 20 0 GIADLO CC[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C[C@@H](O)C(F)(F)F ZINC000189534004 823439071 /nfs/dbraw/zinc/43/90/71/823439071.db2.gz ULVARYZPMZTIRJ-QGZVFWFLSA-N 1 2 388.817 4.059 20 0 GIADLO CC(C)(C)O[C@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000410270771 823442861 /nfs/dbraw/zinc/44/28/61/823442861.db2.gz RWOYCPCAZFPONV-FPOVZHCZSA-N 1 2 395.547 4.482 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025443897 819981482 /nfs/dbraw/zinc/98/14/82/819981482.db2.gz BUWJLTMCFKNIMC-OAQYLSRUSA-N 1 2 392.478 4.404 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025443897 819981487 /nfs/dbraw/zinc/98/14/87/819981487.db2.gz BUWJLTMCFKNIMC-OAQYLSRUSA-N 1 2 392.478 4.404 20 0 GIADLO C[C@H]1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C[C@@H]1n1cc[nH+]c1 ZINC000122998847 823446131 /nfs/dbraw/zinc/44/61/31/823446131.db2.gz ZZMCUGJPPDACTK-YJBOKZPZSA-N 1 2 398.894 4.234 20 0 GIADLO COc1cc(C[N@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)ccc1OC(F)F ZINC000025917707 820038460 /nfs/dbraw/zinc/03/84/60/820038460.db2.gz DNHXZPVIFGUHKP-UHFFFAOYSA-N 1 2 389.402 4.287 20 0 GIADLO COc1cc(C[N@@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)ccc1OC(F)F ZINC000025917707 820038470 /nfs/dbraw/zinc/03/84/70/820038470.db2.gz DNHXZPVIFGUHKP-UHFFFAOYSA-N 1 2 389.402 4.287 20 0 GIADLO CC(C)CCOc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000026215470 820070022 /nfs/dbraw/zinc/07/00/22/820070022.db2.gz IEHGHGOLNWSFOV-UHFFFAOYSA-N 1 2 391.515 4.329 20 0 GIADLO CC(C)(C)c1ccc(CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410288162 823450382 /nfs/dbraw/zinc/45/03/82/823450382.db2.gz GCELHNCROQZSCL-IBGZPJMESA-N 1 2 379.548 4.466 20 0 GIADLO COc1ccc2cc(C[N@H+](C)Cc3nc4cc(Cl)ccc4c(=O)[nH]3)ccc2c1 ZINC000026301294 820079719 /nfs/dbraw/zinc/07/97/19/820079719.db2.gz NEYSQGUNJZGVID-UHFFFAOYSA-N 1 2 393.874 4.370 20 0 GIADLO COc1ccc2cc(C[N@@H+](C)Cc3nc4cc(Cl)ccc4c(=O)[nH]3)ccc2c1 ZINC000026301294 820079728 /nfs/dbraw/zinc/07/97/28/820079728.db2.gz NEYSQGUNJZGVID-UHFFFAOYSA-N 1 2 393.874 4.370 20 0 GIADLO CC[C@H](NC(=O)C[N@H+](C)Cc1ccc(OC)cc1OC)c1ccc(Cl)cc1 ZINC000026323024 820083557 /nfs/dbraw/zinc/08/35/57/820083557.db2.gz ZVKIRGQNKGNHCG-IBGZPJMESA-N 1 2 390.911 4.057 20 0 GIADLO CC[C@H](NC(=O)C[N@@H+](C)Cc1ccc(OC)cc1OC)c1ccc(Cl)cc1 ZINC000026323024 820083568 /nfs/dbraw/zinc/08/35/68/820083568.db2.gz ZVKIRGQNKGNHCG-IBGZPJMESA-N 1 2 390.911 4.057 20 0 GIADLO O=C(C[C@@H]1CCCc2ccccc21)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410292300 823452094 /nfs/dbraw/zinc/45/20/94/823452094.db2.gz SOXMKJWVRFRYQZ-PMACEKPBSA-N 1 2 377.532 4.436 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)Nc2cc(C)ccc2C)ccc1OC(F)F ZINC000026454189 820100439 /nfs/dbraw/zinc/10/04/39/820100439.db2.gz IUIWOZAZFFSYGU-UHFFFAOYSA-N 1 2 392.446 4.374 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2cc(C)ccc2C)ccc1OC(F)F ZINC000026454189 820100443 /nfs/dbraw/zinc/10/04/43/820100443.db2.gz IUIWOZAZFFSYGU-UHFFFAOYSA-N 1 2 392.446 4.374 20 0 GIADLO CCOc1cc(C[N@H+](C)CC(=O)c2c[nH]c3ccccc23)ccc1OC(F)F ZINC000026455097 820100450 /nfs/dbraw/zinc/10/04/50/820100450.db2.gz RJNAIZWREHXTSZ-UHFFFAOYSA-N 1 2 388.414 4.483 20 0 GIADLO CCOc1cc(C[N@@H+](C)CC(=O)c2c[nH]c3ccccc23)ccc1OC(F)F ZINC000026455097 820100455 /nfs/dbraw/zinc/10/04/55/820100455.db2.gz RJNAIZWREHXTSZ-UHFFFAOYSA-N 1 2 388.414 4.483 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3cc(C)ccc3C)CC2)c(C)c1 ZINC000026639074 820126355 /nfs/dbraw/zinc/12/63/55/820126355.db2.gz LTTVGWIGMBGYPG-UHFFFAOYSA-N 1 2 378.516 4.454 20 0 GIADLO O=C(NC1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000123061771 823455548 /nfs/dbraw/zinc/45/55/48/823455548.db2.gz BBHKZHUNPZKJDY-UHFFFAOYSA-N 1 2 380.385 4.239 20 0 GIADLO O=C(NC1CC[NH+](Cc2c(Cl)cccc2OC(F)F)CC1)c1ccccc1 ZINC000123063614 823455906 /nfs/dbraw/zinc/45/59/06/823455906.db2.gz JVHSIENDQJEOFG-UHFFFAOYSA-N 1 2 394.849 4.336 20 0 GIADLO CSc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410302676 823456503 /nfs/dbraw/zinc/45/65/03/823456503.db2.gz BZIBMSMJLCAIHR-IAGOWNOFSA-N 1 2 399.560 4.115 20 0 GIADLO Cc1c(F)ccc(Cl)c1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410309229 823459052 /nfs/dbraw/zinc/45/90/52/823459052.db2.gz RUYLYKZOHYGLNB-CQSZACIVSA-N 1 2 375.875 4.340 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)cc1 ZINC000027237345 820214416 /nfs/dbraw/zinc/21/44/16/820214416.db2.gz ODPSPUBNEYYEDK-UHFFFAOYSA-N 1 2 391.515 4.141 20 0 GIADLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000027385541 820236318 /nfs/dbraw/zinc/23/63/18/820236318.db2.gz FQOJJCNVBZMPLE-INIZCTEOSA-N 1 2 391.437 4.163 20 0 GIADLO O=C(NCc1ccc(F)cc1C(F)(F)F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410326208 823463601 /nfs/dbraw/zinc/46/36/01/823463601.db2.gz MWJMBKAOSIXGQB-UHFFFAOYSA-N 1 2 377.341 4.019 20 0 GIADLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410326536 823464026 /nfs/dbraw/zinc/46/40/26/823464026.db2.gz OGROGNNMFBNDIP-RBBKRZOGSA-N 1 2 379.548 4.440 20 0 GIADLO COC(=O)[C@@H](c1ccsc1)[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000410331420 823465389 /nfs/dbraw/zinc/46/53/89/823465389.db2.gz YQELDLAAUDUHDJ-HXUWFJFHSA-N 1 2 384.501 4.332 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1 ZINC000027674862 820273751 /nfs/dbraw/zinc/27/37/51/820273751.db2.gz GULIQMMYTPFZJW-MRXNPFEDSA-N 1 2 391.968 4.163 20 0 GIADLO C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccc(Br)o1 ZINC000189649950 823467428 /nfs/dbraw/zinc/46/74/28/823467428.db2.gz LOXHLPOJEVHWLI-UHFFFAOYSA-N 1 2 378.245 4.058 20 0 GIADLO C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccc(Br)o1 ZINC000189649950 823467431 /nfs/dbraw/zinc/46/74/31/823467431.db2.gz LOXHLPOJEVHWLI-UHFFFAOYSA-N 1 2 378.245 4.058 20 0 GIADLO Cc1ccc(Cl)c(OCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000028681930 820349620 /nfs/dbraw/zinc/34/96/20/820349620.db2.gz ZUQZEUUMXXWQAF-AWEZNQCLSA-N 1 2 393.940 4.354 20 0 GIADLO Cc1ccc(Cl)c(OCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000028681930 820349633 /nfs/dbraw/zinc/34/96/33/820349633.db2.gz ZUQZEUUMXXWQAF-AWEZNQCLSA-N 1 2 393.940 4.354 20 0 GIADLO COc1ccc(C)cc1C[NH+]1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000028965343 820377737 /nfs/dbraw/zinc/37/77/37/820377737.db2.gz LIRQWCHZXUHECJ-UHFFFAOYSA-N 1 2 395.478 4.116 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(C)onc2-c2ccc(F)cc2)c1C ZINC000058956861 823475665 /nfs/dbraw/zinc/47/56/65/823475665.db2.gz BDVRJSDOFVTSPA-UHFFFAOYSA-N 1 2 383.423 4.082 20 0 GIADLO O=C(CCc1ccco1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000029256258 820420554 /nfs/dbraw/zinc/42/05/54/820420554.db2.gz ADQGDQFYBWQIFX-UHFFFAOYSA-N 1 2 398.503 4.424 20 0 GIADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2cn(C)c3ccccc23)CC1 ZINC000029364019 820443832 /nfs/dbraw/zinc/44/38/32/820443832.db2.gz TYZJZEAECVJQGB-MRXNPFEDSA-N 1 2 381.907 4.351 20 0 GIADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000573327809 823480407 /nfs/dbraw/zinc/48/04/07/823480407.db2.gz WANRGNKTQSKWNY-LZQZEXGQSA-N 1 2 391.437 4.259 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189713391 823480856 /nfs/dbraw/zinc/48/08/56/823480856.db2.gz RTALKOKQSLGSAH-XZOQPEGZSA-N 1 2 388.515 4.142 20 0 GIADLO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)n1 ZINC000189720849 823481744 /nfs/dbraw/zinc/48/17/44/823481744.db2.gz PTFWFIIFZWTROZ-QZTJIDSGSA-N 1 2 376.863 4.058 20 0 GIADLO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)n1 ZINC000189720849 823481749 /nfs/dbraw/zinc/48/17/49/823481749.db2.gz PTFWFIIFZWTROZ-QZTJIDSGSA-N 1 2 376.863 4.058 20 0 GIADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000573338927 823481836 /nfs/dbraw/zinc/48/18/36/823481836.db2.gz LTRFTJGQUKSPMH-SJLPKXTDSA-N 1 2 386.927 4.351 20 0 GIADLO CC[C@](C)(O)C[N@H+](Cc1nnc(Cc2ccccc2C)o1)Cc1ccccc1 ZINC000189723010 823482171 /nfs/dbraw/zinc/48/21/71/823482171.db2.gz LPNMHRGBRCOJAW-QHCPKHFHSA-N 1 2 379.504 4.132 20 0 GIADLO CC[C@](C)(O)C[N@@H+](Cc1nnc(Cc2ccccc2C)o1)Cc1ccccc1 ZINC000189723010 823482173 /nfs/dbraw/zinc/48/21/73/823482173.db2.gz LPNMHRGBRCOJAW-QHCPKHFHSA-N 1 2 379.504 4.132 20 0 GIADLO Cc1nc(-c2ccccc2)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000029630207 820488459 /nfs/dbraw/zinc/48/84/59/820488459.db2.gz AJBXRSJEHFNBOO-UHFFFAOYSA-N 1 2 377.513 4.077 20 0 GIADLO CC[C@H](C)c1ccccc1OCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000029648924 820493245 /nfs/dbraw/zinc/49/32/45/820493245.db2.gz UFDBKLRJXSPOEM-IBGZPJMESA-N 1 2 391.515 4.183 20 0 GIADLO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029668423 820495882 /nfs/dbraw/zinc/49/58/82/820495882.db2.gz QMWAPVRFGCDCPF-SFHVURJKSA-N 1 2 391.515 4.313 20 0 GIADLO Cc1ccc(NC(=O)CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c(C)c1 ZINC000029684684 820497175 /nfs/dbraw/zinc/49/71/75/820497175.db2.gz MBLZYAPSDWUJLA-SFHVURJKSA-N 1 2 385.939 4.274 20 0 GIADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000029688599 820497936 /nfs/dbraw/zinc/49/79/36/820497936.db2.gz IEZITMZLTIGDMC-AWEZNQCLSA-N 1 2 388.924 4.330 20 0 GIADLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nnnn2C2CCCCC2)cc1OCC ZINC000189734650 823484131 /nfs/dbraw/zinc/48/41/31/823484131.db2.gz HVYDVWWMUSMMAW-JKSUJKDBSA-N 1 2 387.528 4.388 20 0 GIADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)ccc1OC(C)C ZINC000123276436 823489459 /nfs/dbraw/zinc/48/94/59/823489459.db2.gz GUJBFLMQERHVKO-HUUCEWRRSA-N 1 2 382.464 4.339 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cs1 ZINC000029827096 820526048 /nfs/dbraw/zinc/52/60/48/820526048.db2.gz RNUBODPXILFRIV-HNNXBMFYSA-N 1 2 384.505 4.037 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cs1 ZINC000029827096 820526054 /nfs/dbraw/zinc/52/60/54/820526054.db2.gz RNUBODPXILFRIV-HNNXBMFYSA-N 1 2 384.505 4.037 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(-c3ncco3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189748012 823486878 /nfs/dbraw/zinc/48/68/78/823486878.db2.gz OXUOYDICBLXNIB-OALUTQOASA-N 1 2 398.413 4.187 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(-c3ncco3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189748012 823486882 /nfs/dbraw/zinc/48/68/82/823486882.db2.gz OXUOYDICBLXNIB-OALUTQOASA-N 1 2 398.413 4.187 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1csc(-c2cccs2)n1 ZINC000029870830 820536717 /nfs/dbraw/zinc/53/67/17/820536717.db2.gz ISPQDZCQWIPSPD-UHFFFAOYSA-N 1 2 394.525 4.089 20 0 GIADLO Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029917218 820548271 /nfs/dbraw/zinc/54/82/71/820548271.db2.gz WTPMXTDXUZGYQJ-UHFFFAOYSA-N 1 2 389.484 4.097 20 0 GIADLO O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029951428 820555881 /nfs/dbraw/zinc/55/58/81/820555881.db2.gz PGJCRGSLQMPOHS-UHFFFAOYSA-N 1 2 399.450 4.469 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3csc4c3CC[C@H](C)C4)CC2)nc(C(C)C)[nH+]1 ZINC000029953588 820556284 /nfs/dbraw/zinc/55/62/84/820556284.db2.gz NSBVILLHXFXSGT-HNNXBMFYSA-N 1 2 398.576 4.057 20 0 GIADLO CC(C)[C@@H]([NH2+]Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)c1ccccc1 ZINC000029977468 820560059 /nfs/dbraw/zinc/56/00/59/820560059.db2.gz GOUCVKNIWNCKLE-GOSISDBHSA-N 1 2 384.480 4.416 20 0 GIADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000030004303 820566766 /nfs/dbraw/zinc/56/67/66/820566766.db2.gz ZHEWWKNSLOYPTB-CYBMUJFWSA-N 1 2 382.323 4.046 20 0 GIADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000030004303 820566770 /nfs/dbraw/zinc/56/67/70/820566770.db2.gz ZHEWWKNSLOYPTB-CYBMUJFWSA-N 1 2 382.323 4.046 20 0 GIADLO COc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000123310642 823494543 /nfs/dbraw/zinc/49/45/43/823494543.db2.gz WSCWKZOZQKZSOX-OYHNWAKOSA-N 1 2 390.487 4.041 20 0 GIADLO Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1NC(=O)OC(C)(C)C ZINC000123313565 823495018 /nfs/dbraw/zinc/49/50/18/823495018.db2.gz ZJXSJEXALAIVJR-LPHOPBHVSA-N 1 2 398.507 4.262 20 0 GIADLO CCC[N@H+](CC(=O)NCc1ccco1)[C@H](C)c1ccccc1Br ZINC000059389250 823495060 /nfs/dbraw/zinc/49/50/60/823495060.db2.gz VAIHRYZKWSOAJH-CQSZACIVSA-N 1 2 379.298 4.132 20 0 GIADLO CCC[N@@H+](CC(=O)NCc1ccco1)[C@H](C)c1ccccc1Br ZINC000059389250 823495061 /nfs/dbraw/zinc/49/50/61/823495061.db2.gz VAIHRYZKWSOAJH-CQSZACIVSA-N 1 2 379.298 4.132 20 0 GIADLO O=C(Nc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1)c1cccs1 ZINC000030603218 820648836 /nfs/dbraw/zinc/64/88/36/820648836.db2.gz WUHDIZUYOKHHDS-UHFFFAOYSA-N 1 2 388.452 4.438 20 0 GIADLO Cc1cc(NC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(C)c[nH+]1 ZINC000573466840 823493429 /nfs/dbraw/zinc/49/34/29/823493429.db2.gz TYQSAKUMCDPBBA-QGZVFWFLSA-N 1 2 388.471 4.255 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(SC(F)(F)F)cc1 ZINC000030655886 820659033 /nfs/dbraw/zinc/65/90/33/820659033.db2.gz OGZDEAYFCCPACY-UHFFFAOYSA-N 1 2 391.418 4.473 20 0 GIADLO Cc1cccc2nc(C3CC[NH+]([C@@H](C)c4nnnn4-c4ccccc4)CC3)oc21 ZINC000189808829 823498499 /nfs/dbraw/zinc/49/84/99/823498499.db2.gz YGMZWZUKTMTEGY-INIZCTEOSA-N 1 2 388.475 4.053 20 0 GIADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000030974111 820713724 /nfs/dbraw/zinc/71/37/24/820713724.db2.gz LPGWFYZSZDLYLI-KGLIPLIRSA-N 1 2 379.298 4.048 20 0 GIADLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030974111 820713730 /nfs/dbraw/zinc/71/37/30/820713730.db2.gz LPGWFYZSZDLYLI-KGLIPLIRSA-N 1 2 379.298 4.048 20 0 GIADLO CCOC[C@@H]1CC[N@H+](Cn2nc(Nc3ccc(C)c(C)c3)sc2=S)C1 ZINC000177629082 823504006 /nfs/dbraw/zinc/50/40/06/823504006.db2.gz SJZOBEODQKYCMO-OAHLLOKOSA-N 1 2 378.567 4.350 20 0 GIADLO CCOC[C@@H]1CC[N@@H+](Cn2nc(Nc3ccc(C)c(C)c3)sc2=S)C1 ZINC000177629082 823504008 /nfs/dbraw/zinc/50/40/08/823504008.db2.gz SJZOBEODQKYCMO-OAHLLOKOSA-N 1 2 378.567 4.350 20 0 GIADLO O=C(NCc1ccccc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031092498 820738443 /nfs/dbraw/zinc/73/84/43/820738443.db2.gz LWMFPYYZSYWURN-GOSISDBHSA-N 1 2 375.875 4.115 20 0 GIADLO COc1ccc(-c2ccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)s2)cc1 ZINC000177640868 823506167 /nfs/dbraw/zinc/50/61/67/823506167.db2.gz KFQHMGBUJZTORQ-UHFFFAOYSA-N 1 2 392.484 4.071 20 0 GIADLO COc1ccc(-c2csc(CNC(=O)NCc3ccn4cc[nH+]c4c3)c2)cc1 ZINC000177640829 823506182 /nfs/dbraw/zinc/50/61/82/823506182.db2.gz ZHIZTLVMTSEBOI-UHFFFAOYSA-N 1 2 392.484 4.071 20 0 GIADLO Cc1cccc2nc(C3CC[NH+](CC(=O)Nc4ccc(F)c(F)c4)CC3)oc21 ZINC000189817915 823501226 /nfs/dbraw/zinc/50/12/26/823501226.db2.gz TWHLHYSHTPHGTO-UHFFFAOYSA-N 1 2 385.414 4.233 20 0 GIADLO COCc1cccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000031894339 820870990 /nfs/dbraw/zinc/87/09/90/820870990.db2.gz RFASRGJAYHOACH-IBGZPJMESA-N 1 2 390.886 4.192 20 0 GIADLO Cc1ccccc1OCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895414 820871725 /nfs/dbraw/zinc/87/17/25/820871725.db2.gz LKTHKVBKWCACHB-GOSISDBHSA-N 1 2 390.886 4.120 20 0 GIADLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177668517 823511113 /nfs/dbraw/zinc/51/11/13/823511113.db2.gz LSGOFUVBFACFFT-GOSISDBHSA-N 1 2 398.413 4.016 20 0 GIADLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177668517 823511116 /nfs/dbraw/zinc/51/11/16/823511116.db2.gz LSGOFUVBFACFFT-GOSISDBHSA-N 1 2 398.413 4.016 20 0 GIADLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)cn1 ZINC000032001261 820888027 /nfs/dbraw/zinc/88/80/27/820888027.db2.gz NFTBQUZQBNPWFJ-UHFFFAOYSA-N 1 2 395.503 4.216 20 0 GIADLO CCC(CC)[C@@H](C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)[NH+]1CCOCC1 ZINC000460790197 823513078 /nfs/dbraw/zinc/51/30/78/823513078.db2.gz LMGXYBOXRSAWSN-MJGOQNOKSA-N 1 2 396.984 4.130 20 0 GIADLO COc1cccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000032774576 821006717 /nfs/dbraw/zinc/00/67/17/821006717.db2.gz YIWOPSHOUKHGAH-OAQYLSRUSA-N 1 2 398.553 4.082 20 0 GIADLO COc1cccc(CNC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000032774576 821006724 /nfs/dbraw/zinc/00/67/24/821006724.db2.gz YIWOPSHOUKHGAH-OAQYLSRUSA-N 1 2 398.553 4.082 20 0 GIADLO CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000060375392 823521299 /nfs/dbraw/zinc/52/12/99/823521299.db2.gz HJTGPXKDJPKQMQ-GOSISDBHSA-N 1 2 381.451 4.304 20 0 GIADLO CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000060375392 823521303 /nfs/dbraw/zinc/52/13/03/823521303.db2.gz HJTGPXKDJPKQMQ-GOSISDBHSA-N 1 2 381.451 4.304 20 0 GIADLO C[C@H]1CC[C@H](CSc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)O1 ZINC000189988461 823522239 /nfs/dbraw/zinc/52/22/39/823522239.db2.gz AAEACZMUILJZEM-WMLDXEAASA-N 1 2 392.956 4.176 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000177768307 823523134 /nfs/dbraw/zinc/52/31/34/823523134.db2.gz IJGFMZOVJPLVLZ-UHFFFAOYSA-N 1 2 388.393 4.227 20 0 GIADLO O=C(c1ccc2cc[nH]c2c1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000033223989 821051101 /nfs/dbraw/zinc/05/11/01/821051101.db2.gz GCRWVQISLRFJTL-UHFFFAOYSA-N 1 2 387.405 4.145 20 0 GIADLO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000190032891 823528665 /nfs/dbraw/zinc/52/86/65/823528665.db2.gz LCUXLHWJEMQBIU-XMMPIXPASA-N 1 2 387.483 4.129 20 0 GIADLO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000190032891 823528670 /nfs/dbraw/zinc/52/86/70/823528670.db2.gz LCUXLHWJEMQBIU-XMMPIXPASA-N 1 2 387.483 4.129 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@H]1CCCc2sccc21 ZINC000123650621 823529296 /nfs/dbraw/zinc/52/92/96/823529296.db2.gz YYVJNOKVEGFUAM-INIZCTEOSA-N 1 2 382.489 4.223 20 0 GIADLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1Cl ZINC000038630784 821098505 /nfs/dbraw/zinc/09/85/05/821098505.db2.gz WVSDVEHQUGQPEA-HXUWFJFHSA-N 1 2 388.920 4.074 20 0 GIADLO COc1cccc(N2CC[NH+](Cc3csc(-c4ccc(F)cc4)n3)CC2)c1 ZINC000039971935 821123684 /nfs/dbraw/zinc/12/36/84/821123684.db2.gz KQUZZTOHQSTYEJ-UHFFFAOYSA-N 1 2 383.492 4.280 20 0 GIADLO O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)NC1CCCCCCC1 ZINC000060483697 823533378 /nfs/dbraw/zinc/53/33/78/823533378.db2.gz OABMQCINSGTNNE-UHFFFAOYSA-N 1 2 390.955 4.464 20 0 GIADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Oc1ccc(N(C)C(=O)c2ccc(C)cc2)cc1 ZINC000123724030 823535162 /nfs/dbraw/zinc/53/51/62/823535162.db2.gz ZIBDVMOAGMHQEX-OAQYLSRUSA-N 1 2 380.488 4.051 20 0 GIADLO CC[N@H+]1CCCC[C@@H]1C(=O)Oc1ccc(N(C)C(=O)c2ccc(C)cc2)cc1 ZINC000123724030 823535164 /nfs/dbraw/zinc/53/51/64/823535164.db2.gz ZIBDVMOAGMHQEX-OAQYLSRUSA-N 1 2 380.488 4.051 20 0 GIADLO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460897434 823537717 /nfs/dbraw/zinc/53/77/17/823537717.db2.gz QLLUZPLHEGMCIV-UHFFFAOYSA-N 1 2 377.410 4.256 20 0 GIADLO C[C@@H](c1nnc(Sc2cnc3ccccc3n2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000041873287 821241693 /nfs/dbraw/zinc/24/16/93/821241693.db2.gz FKQQFHMTVUFUIU-ZDUSSCGKSA-N 1 2 394.479 4.123 20 0 GIADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1c(F)cccc1F ZINC000041941655 821248422 /nfs/dbraw/zinc/24/84/22/821248422.db2.gz PDLZWIZVJLWVCD-INIZCTEOSA-N 1 2 382.813 4.324 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1C ZINC000060533339 823539204 /nfs/dbraw/zinc/53/92/04/823539204.db2.gz VFOIZRPWLYAJGV-UHFFFAOYSA-N 1 2 399.535 4.225 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(C(F)(F)F)ccc1F ZINC000123776421 823539675 /nfs/dbraw/zinc/53/96/75/823539675.db2.gz UKIIUNKGDYPHEP-UHFFFAOYSA-N 1 2 381.373 4.160 20 0 GIADLO CSc1ccc(NC(=O)[C@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000042287529 821295356 /nfs/dbraw/zinc/29/53/56/821295356.db2.gz FAOHPVOLFGEGFW-AIADIJKESA-N 1 2 395.572 4.067 20 0 GIADLO COc1ccc([C@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)C(C)C)cc1 ZINC000042465338 821307718 /nfs/dbraw/zinc/30/77/18/821307718.db2.gz XQEWVHZPGJKPHI-JOCHJYFZSA-N 1 2 397.544 4.398 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(Br)cc1 ZINC000043133925 821365353 /nfs/dbraw/zinc/36/53/53/821365353.db2.gz ZAQXHGZBMPMAQG-UHFFFAOYSA-N 1 2 385.265 4.016 20 0 GIADLO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccc2c(c1)OCCO2 ZINC000180643241 821379891 /nfs/dbraw/zinc/37/98/91/821379891.db2.gz MFXLEMUEIMFRGN-MRXNPFEDSA-N 1 2 385.851 4.402 20 0 GIADLO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H](C)c2c(F)cccc2Cl)C1 ZINC000180667907 821388562 /nfs/dbraw/zinc/38/85/62/821388562.db2.gz XHWRLTACRMLSKV-ZDUSSCGKSA-N 1 2 399.890 4.182 20 0 GIADLO CC(C)(C)c1ccccc1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000043315552 821390875 /nfs/dbraw/zinc/39/08/75/821390875.db2.gz ASJUWRKZDPOAGM-UHFFFAOYSA-N 1 2 381.520 4.213 20 0 GIADLO CC(C)(C)c1ccccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000043315781 821391274 /nfs/dbraw/zinc/39/12/74/821391274.db2.gz YTTLNXXXHFPHAI-IBGZPJMESA-N 1 2 381.520 4.007 20 0 GIADLO CC(C)(C)c1ccccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000043315781 821391284 /nfs/dbraw/zinc/39/12/84/821391284.db2.gz YTTLNXXXHFPHAI-IBGZPJMESA-N 1 2 381.520 4.007 20 0 GIADLO CCOc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1OCC ZINC000043416609 821404697 /nfs/dbraw/zinc/40/46/97/821404697.db2.gz GQBZFIUXSJRZCR-UHFFFAOYSA-N 1 2 394.475 4.051 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000043449116 821407717 /nfs/dbraw/zinc/40/77/17/821407717.db2.gz DHQXMIACTPEVDQ-UHFFFAOYSA-N 1 2 394.338 4.169 20 0 GIADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F)c1ccccc1 ZINC000180712105 821411495 /nfs/dbraw/zinc/41/14/95/821411495.db2.gz GQYFGWYNAWUBIK-LADGPHEKSA-N 1 2 392.474 4.212 20 0 GIADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccncc2)cc1F)c1ccccc1 ZINC000180712105 821411502 /nfs/dbraw/zinc/41/15/02/821411502.db2.gz GQYFGWYNAWUBIK-LADGPHEKSA-N 1 2 392.474 4.212 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccccc3F)n2)C1 ZINC000043547428 821424522 /nfs/dbraw/zinc/42/45/22/821424522.db2.gz JFBHTCGTEYACRY-CQSZACIVSA-N 1 2 376.501 4.178 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccccc3F)n2)C1 ZINC000043547428 821424527 /nfs/dbraw/zinc/42/45/27/821424527.db2.gz JFBHTCGTEYACRY-CQSZACIVSA-N 1 2 376.501 4.178 20 0 GIADLO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180740848 821428362 /nfs/dbraw/zinc/42/83/62/821428362.db2.gz YHLGNYUZJRZZBO-HSZRJFAPSA-N 1 2 397.494 4.162 20 0 GIADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000180797192 821463577 /nfs/dbraw/zinc/46/35/77/821463577.db2.gz HCMIFSJHVUOYJZ-SFHVURJKSA-N 1 2 375.472 4.292 20 0 GIADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000180797192 821463580 /nfs/dbraw/zinc/46/35/80/821463580.db2.gz HCMIFSJHVUOYJZ-SFHVURJKSA-N 1 2 375.472 4.292 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3c(Cl)nc4ccccn43)C2)n1 ZINC000180801720 821466177 /nfs/dbraw/zinc/46/61/77/821466177.db2.gz RUHZKIKSDYBVAB-LBPRGKRZSA-N 1 2 383.805 4.040 20 0 GIADLO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3c(Cl)nc4ccccn43)C2)n1 ZINC000180801720 821466183 /nfs/dbraw/zinc/46/61/83/821466183.db2.gz RUHZKIKSDYBVAB-LBPRGKRZSA-N 1 2 383.805 4.040 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC000043856076 821474154 /nfs/dbraw/zinc/47/41/54/821474154.db2.gz BAUYZBFQIWATAT-UHFFFAOYSA-N 1 2 385.533 4.157 20 0 GIADLO COc1cccc([C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c2ccccc2Cl)c1 ZINC000180892208 821519307 /nfs/dbraw/zinc/51/93/07/821519307.db2.gz WROCTCPDZBQVKJ-LJQANCHMSA-N 1 2 395.952 4.241 20 0 GIADLO CCCCn1c(SCc2nc(-c3ccco3)no2)nnc1[C@H](CC)[NH+](C)C ZINC000044089238 821521030 /nfs/dbraw/zinc/52/10/30/821521030.db2.gz YFHXHNSNFOCLNK-ZDUSSCGKSA-N 1 2 390.513 4.026 20 0 GIADLO FC(F)(F)c1cccc(NC(=S)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000044129663 821529355 /nfs/dbraw/zinc/52/93/55/821529355.db2.gz SADMRFXEIQXZPA-UHFFFAOYSA-N 1 2 390.434 4.437 20 0 GIADLO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000180967282 821561413 /nfs/dbraw/zinc/56/14/13/821561413.db2.gz XDORIBNWGBZIDG-UHFFFAOYSA-N 1 2 398.457 4.153 20 0 GIADLO O=C(NCCNc1cccc[nH+]1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000044377266 821581057 /nfs/dbraw/zinc/58/10/57/821581057.db2.gz FNIMZECQPTUFHM-UHFFFAOYSA-N 1 2 380.423 4.033 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438564 821586421 /nfs/dbraw/zinc/58/64/21/821586421.db2.gz UXVXVZFIUFIXJE-UHFFFAOYSA-N 1 2 398.457 4.146 20 0 GIADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438564 821586427 /nfs/dbraw/zinc/58/64/27/821586427.db2.gz UXVXVZFIUFIXJE-UHFFFAOYSA-N 1 2 398.457 4.146 20 0 GIADLO CCOCC[N@H+](C)Cc1csc(-c2cc(Br)ccc2OC)n1 ZINC000181008803 821590351 /nfs/dbraw/zinc/59/03/51/821590351.db2.gz GRNPQOXPKYNHLN-UHFFFAOYSA-N 1 2 385.327 4.050 20 0 GIADLO CCOCC[N@@H+](C)Cc1csc(-c2cc(Br)ccc2OC)n1 ZINC000181008803 821590356 /nfs/dbraw/zinc/59/03/56/821590356.db2.gz GRNPQOXPKYNHLN-UHFFFAOYSA-N 1 2 385.327 4.050 20 0 GIADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000181013450 821593461 /nfs/dbraw/zinc/59/34/61/821593461.db2.gz MCDYNADUDLNHGU-HNNXBMFYSA-N 1 2 383.879 4.390 20 0 GIADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000181013450 821593467 /nfs/dbraw/zinc/59/34/67/821593467.db2.gz MCDYNADUDLNHGU-HNNXBMFYSA-N 1 2 383.879 4.390 20 0 GIADLO CCc1nc2ccccc2n1CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044567646 821609745 /nfs/dbraw/zinc/60/97/45/821609745.db2.gz QJVUHJRQZASGLM-UHFFFAOYSA-N 1 2 399.498 4.437 20 0 GIADLO Cc1nn(C)c2sc(C(=O)Nc3ccc(-c4[nH+]cc5n4CCCC5)cc3)cc12 ZINC000044567966 821610384 /nfs/dbraw/zinc/61/03/84/821610384.db2.gz FLVGZRGHPJEBHW-UHFFFAOYSA-N 1 2 391.500 4.395 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)c2sc(C)nc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181104000 821634460 /nfs/dbraw/zinc/63/44/60/821634460.db2.gz NJAZZIJHZLKSPO-CVEARBPZSA-N 1 2 381.904 4.118 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)c2sc(C)nc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181104000 821634464 /nfs/dbraw/zinc/63/44/64/821634464.db2.gz NJAZZIJHZLKSPO-CVEARBPZSA-N 1 2 381.904 4.118 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181147486 821663503 /nfs/dbraw/zinc/66/35/03/821663503.db2.gz SBEXHXNMAWDBSA-UHFFFAOYSA-N 1 2 397.567 4.326 20 0 GIADLO CN(c1ccccc1)c1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000045014668 821691023 /nfs/dbraw/zinc/69/10/23/821691023.db2.gz UJUYDABJHNNJLG-UHFFFAOYSA-N 1 2 397.482 4.024 20 0 GIADLO Cc1ccc(C[C@@H](C)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000181273837 821727549 /nfs/dbraw/zinc/72/75/49/821727549.db2.gz QQXLAUNMJOGFRI-LJQANCHMSA-N 1 2 379.548 4.025 20 0 GIADLO Cc1ccccc1-c1noc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)n1 ZINC000181279433 821731607 /nfs/dbraw/zinc/73/16/07/821731607.db2.gz FDDKKEFAKCCHKO-HZPDHXFCSA-N 1 2 392.459 4.413 20 0 GIADLO C[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1cccc(N2CCOC2=O)c1 ZINC000181299792 821743164 /nfs/dbraw/zinc/74/31/64/821743164.db2.gz KDNUUESRWGEXGM-AWEZNQCLSA-N 1 2 381.407 4.288 20 0 GIADLO Cc1ccccc1-c1noc([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)n1 ZINC000181312873 821752135 /nfs/dbraw/zinc/75/21/35/821752135.db2.gz WRWGVTMOAOZYMC-HOTGVXAUSA-N 1 2 392.459 4.413 20 0 GIADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000181371276 821792812 /nfs/dbraw/zinc/79/28/12/821792812.db2.gz IHFJSTBRSQIOMZ-IAGOWNOFSA-N 1 2 379.863 4.038 20 0 GIADLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000181371276 821792813 /nfs/dbraw/zinc/79/28/13/821792813.db2.gz IHFJSTBRSQIOMZ-IAGOWNOFSA-N 1 2 379.863 4.038 20 0 GIADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181388418 821800537 /nfs/dbraw/zinc/80/05/37/821800537.db2.gz UODXMHLKAIZYCA-HNNXBMFYSA-N 1 2 385.943 4.023 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1nnc(-c2ccccc2)o1 ZINC000181393386 821803783 /nfs/dbraw/zinc/80/37/83/821803783.db2.gz XYFDCLNSUDRVLI-HZPDHXFCSA-N 1 2 376.460 4.275 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCOc4cc(F)ccc43)cn2c1 ZINC000181400921 821807700 /nfs/dbraw/zinc/80/77/00/821807700.db2.gz IBPXYNZDQPSOBD-GOSISDBHSA-N 1 2 399.491 4.045 20 0 GIADLO Nc1nc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)nc2ccccc12 ZINC000181422128 821818408 /nfs/dbraw/zinc/81/84/08/821818408.db2.gz UTVCTCVYTNSVEV-LJQANCHMSA-N 1 2 390.512 4.009 20 0 GIADLO Nc1nc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)nc2ccccc12 ZINC000181422128 821818420 /nfs/dbraw/zinc/81/84/20/821818420.db2.gz UTVCTCVYTNSVEV-LJQANCHMSA-N 1 2 390.512 4.009 20 0 GIADLO Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)[nH+]c3C)s2)o1 ZINC000181428194 821821743 /nfs/dbraw/zinc/82/17/43/821821743.db2.gz AHYUSGXIUPGMNL-UHFFFAOYSA-N 1 2 383.473 4.109 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1nc(-c2cccs2)no1 ZINC000181432098 821824235 /nfs/dbraw/zinc/82/42/35/821824235.db2.gz ALLAMGRABTVRKX-KBPBESRZSA-N 1 2 382.489 4.337 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccs2)no1)c1cccc(N2CCCC2=O)c1 ZINC000181432118 821824356 /nfs/dbraw/zinc/82/43/56/821824356.db2.gz ALLAMGRABTVRKX-KGLIPLIRSA-N 1 2 382.489 4.337 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1cccc(N2CCCC2=O)c1 ZINC000181435819 821826363 /nfs/dbraw/zinc/82/63/63/821826363.db2.gz KRQKGIDPBBYSJP-CQSZACIVSA-N 1 2 396.878 4.368 20 0 GIADLO COc1ccc(NC(=O)[C@H]([NH2+][C@H](C)c2cccc(O)c2)c2ccccc2)cc1 ZINC000181552082 821878149 /nfs/dbraw/zinc/87/81/49/821878149.db2.gz YNGVUAKAGFMOIC-OPAMFIHVSA-N 1 2 376.456 4.431 20 0 GIADLO COC[C@@H]([NH2+]Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1 ZINC000181663496 821930544 /nfs/dbraw/zinc/93/05/44/821930544.db2.gz NSCFRNJIJCBSGT-GOSISDBHSA-N 1 2 384.501 4.305 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1c(F)cccc1Cl ZINC000181738271 821969441 /nfs/dbraw/zinc/96/94/41/821969441.db2.gz LMXUPROQLHZCCH-JTQLQIEISA-N 1 2 377.815 4.326 20 0 GIADLO CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)c3nnnn3-c3ccccc3)oc21 ZINC000181757136 821979268 /nfs/dbraw/zinc/97/92/68/821979268.db2.gz UDHPLSBFZRQKJD-GJZGRUSLSA-N 1 2 377.448 4.219 20 0 GIADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cc1OC ZINC000181764463 821982514 /nfs/dbraw/zinc/98/25/14/821982514.db2.gz UQIOQICHAXMGBT-GFCCVEGCSA-N 1 2 391.393 4.158 20 0 GIADLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)c(F)c1)c1ccccc1 ZINC000181770010 821985899 /nfs/dbraw/zinc/98/58/99/821985899.db2.gz KOAJXGBJDCEVOA-OAQYLSRUSA-N 1 2 399.487 4.494 20 0 GIADLO Cc1cc(=O)n2nc(C[NH2+][C@H](C)c3ccc(Oc4ccccc4)cc3)sc2n1 ZINC000181815016 822004074 /nfs/dbraw/zinc/00/40/74/822004074.db2.gz VZUKWYSENGMCLX-OAHLLOKOSA-N 1 2 392.484 4.103 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@H](C)c3cccc(OC(F)(F)F)c3)n2)cc1 ZINC000181906889 822033239 /nfs/dbraw/zinc/03/32/39/822033239.db2.gz UOQSBCVPQKZRQJ-GFCCVEGCSA-N 1 2 393.365 4.495 20 0 GIADLO Cc1sc2nc(C[NH2+][C@H](C)c3cccc(OC(F)(F)F)c3)[nH]c(=O)c2c1C ZINC000181909026 822034093 /nfs/dbraw/zinc/03/40/93/822034093.db2.gz GEQYNRLGGIIINP-SNVBAGLBSA-N 1 2 397.422 4.351 20 0 GIADLO CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)c2C1 ZINC000182015579 822063089 /nfs/dbraw/zinc/06/30/89/822063089.db2.gz XGMFITICDVWKMP-HNNXBMFYSA-N 1 2 386.517 4.194 20 0 GIADLO CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)c2C1 ZINC000182015579 822063099 /nfs/dbraw/zinc/06/30/99/822063099.db2.gz XGMFITICDVWKMP-HNNXBMFYSA-N 1 2 386.517 4.194 20 0 GIADLO O=C(CC1CCC(C(F)(F)F)CC1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000182039981 822070670 /nfs/dbraw/zinc/07/06/70/822070670.db2.gz KCPJWYPJWBKEOM-UHFFFAOYSA-N 1 2 383.389 4.386 20 0 GIADLO CCSc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000182136513 822111234 /nfs/dbraw/zinc/11/12/34/822111234.db2.gz AVMRPMNVZJXRCS-ZDUSSCGKSA-N 1 2 383.473 4.428 20 0 GIADLO CCSc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000182136492 822111282 /nfs/dbraw/zinc/11/12/82/822111282.db2.gz AVMRPMNVZJXRCS-CYBMUJFWSA-N 1 2 383.473 4.428 20 0 GIADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182157473 822122596 /nfs/dbraw/zinc/12/25/96/822122596.db2.gz VTAFOTJDTYOTRX-UHFFFAOYSA-N 1 2 383.876 4.080 20 0 GIADLO COc1cc(OC)cc([C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)c2nccn2C)c1 ZINC000182302355 822193813 /nfs/dbraw/zinc/19/38/13/822193813.db2.gz YSWRPZZEVVRFGI-FCHUYYIVSA-N 1 2 395.478 4.333 20 0 GIADLO COc1ccc([C@@H](CCO)[NH2+]Cc2csc(CCc3ccccc3)n2)cc1 ZINC000182379755 822221802 /nfs/dbraw/zinc/22/18/02/822221802.db2.gz PUIGUBMJEADFRE-OAQYLSRUSA-N 1 2 382.529 4.150 20 0 GIADLO FC(F)(F)Cn1ccnc1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000177978257 822266506 /nfs/dbraw/zinc/26/65/06/822266506.db2.gz VJYQNCONMUMIFW-ZDUSSCGKSA-N 1 2 384.471 4.160 20 0 GIADLO FC(F)(F)Cn1ccnc1C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000177978257 822266514 /nfs/dbraw/zinc/26/65/14/822266514.db2.gz VJYQNCONMUMIFW-ZDUSSCGKSA-N 1 2 384.471 4.160 20 0 GIADLO CC(=O)c1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1Cl ZINC000182544448 822293786 /nfs/dbraw/zinc/29/37/86/822293786.db2.gz PVMANINLIFTLLX-UHFFFAOYSA-N 1 2 396.878 4.152 20 0 GIADLO CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178071854 822308719 /nfs/dbraw/zinc/30/87/19/822308719.db2.gz PSFMOMVJRSRTLD-UHFFFAOYSA-N 1 2 398.894 4.292 20 0 GIADLO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000182626012 822328481 /nfs/dbraw/zinc/32/84/81/822328481.db2.gz ARXYHGOCUOBQOJ-HOTGVXAUSA-N 1 2 392.507 4.396 20 0 GIADLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nc(-c3cccnc3)no2)cc1OCC ZINC000178139392 822330538 /nfs/dbraw/zinc/33/05/38/822330538.db2.gz VEWKTQQIGWVMGP-LSDHHAIUSA-N 1 2 382.464 4.341 20 0 GIADLO O=C(Nc1ccc2c(c1)CCCO2)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178146524 822332890 /nfs/dbraw/zinc/33/28/90/822332890.db2.gz LROJENDVIVDBLR-IRLDBZIGSA-N 1 2 388.471 4.258 20 0 GIADLO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000182641590 822334971 /nfs/dbraw/zinc/33/49/71/822334971.db2.gz ZZPLBSPWIZPCFH-HNNXBMFYSA-N 1 2 390.911 4.192 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000178166696 822338520 /nfs/dbraw/zinc/33/85/20/822338520.db2.gz ZFGDVFCNUDUUIN-UHFFFAOYSA-N 1 2 378.432 4.088 20 0 GIADLO Cn1ccc2ccc(NC(=O)N[C@@H]3c4ccccc4CC[C@@H]3n3cc[nH+]c3)cc21 ZINC000178174258 822341858 /nfs/dbraw/zinc/34/18/58/822341858.db2.gz DSXNSJUUCOCKOW-RBBKRZOGSA-N 1 2 385.471 4.425 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(Cl)c(Br)c1 ZINC000178221548 822355386 /nfs/dbraw/zinc/35/53/86/822355386.db2.gz UARNFKWTMRGKDB-UHFFFAOYSA-N 1 2 379.645 4.072 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@H](C)c2cc(Br)ccc2F)c(OC)c1 ZINC000178221042 822355435 /nfs/dbraw/zinc/35/54/35/822355435.db2.gz PGMUFPOOJLLCRJ-LLVKDONJSA-N 1 2 398.272 4.465 20 0 GIADLO C[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000045026777 822357976 /nfs/dbraw/zinc/35/79/76/822357976.db2.gz ZSUQLXBAONRVPX-HNNXBMFYSA-N 1 2 398.470 4.337 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1csc(-c2ccccc2F)n1)C(=O)NCCc1ccccc1 ZINC000453408924 822358929 /nfs/dbraw/zinc/35/89/29/822358929.db2.gz OAUPHKOTHSFAIA-JKSUJKDBSA-N 1 2 397.519 4.347 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000045056188 822360171 /nfs/dbraw/zinc/36/01/71/822360171.db2.gz ORQDYRCYRYTDOX-UHFFFAOYSA-N 1 2 380.451 4.496 20 0 GIADLO O=C(NCc1cccc2cccnc21)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178349747 822370144 /nfs/dbraw/zinc/37/01/44/822370144.db2.gz HIBTXJSIBQMCGA-FYYLOGMGSA-N 1 2 397.482 4.159 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2csc([C@H](C)OC)n2)cc1Br ZINC000178365826 822371712 /nfs/dbraw/zinc/37/17/12/822371712.db2.gz SAUNOAYXDNEYBY-MNOVXSKESA-N 1 2 385.327 4.472 20 0 GIADLO O[C@H](C[C@H]1COCC[N@@H+]1Cc1cc(Cl)cc2cccnc21)c1ccccc1 ZINC000178371243 822372175 /nfs/dbraw/zinc/37/21/75/822372175.db2.gz VXUBEJNUBYTUIP-LEWJYISDSA-N 1 2 382.891 4.213 20 0 GIADLO O[C@H](C[C@H]1COCC[N@H+]1Cc1cc(Cl)cc2cccnc21)c1ccccc1 ZINC000178371243 822372180 /nfs/dbraw/zinc/37/21/80/822372180.db2.gz VXUBEJNUBYTUIP-LEWJYISDSA-N 1 2 382.891 4.213 20 0 GIADLO CCCN(C(=O)c1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000178406915 822376225 /nfs/dbraw/zinc/37/62/25/822376225.db2.gz XXTOQXATAXRCJQ-UHFFFAOYSA-N 1 2 390.487 4.385 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000045304649 822377805 /nfs/dbraw/zinc/37/78/05/822377805.db2.gz DHKOEZSRBIAYGM-HRAATJIYSA-N 1 2 394.544 4.301 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000045377121 822382283 /nfs/dbraw/zinc/38/22/83/822382283.db2.gz WSONEODCTXECGP-RTBURBONSA-N 1 2 393.531 4.149 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)Cc1cccc2ccccc21 ZINC000178469727 822382468 /nfs/dbraw/zinc/38/24/68/822382468.db2.gz ZXPWMCIOTAVVPG-UHFFFAOYSA-N 1 2 390.487 4.044 20 0 GIADLO Cc1ccc([C@H](C)N(C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000045531801 822393905 /nfs/dbraw/zinc/39/39/05/822393905.db2.gz LOUJJEAEPAOEBG-IBGZPJMESA-N 1 2 376.504 4.185 20 0 GIADLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CC[C@H](C)Sc3ccccc32)n1 ZINC000178670531 822401359 /nfs/dbraw/zinc/40/13/59/822401359.db2.gz DBEUKKNMNSHAPY-HKUYNNGSSA-N 1 2 381.545 4.444 20 0 GIADLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[C@H](C)Sc3ccccc32)n1 ZINC000178670531 822401362 /nfs/dbraw/zinc/40/13/62/822401362.db2.gz DBEUKKNMNSHAPY-HKUYNNGSSA-N 1 2 381.545 4.444 20 0 GIADLO COc1ccc(C(=O)N2CCCC2)cc1N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182982248 822404350 /nfs/dbraw/zinc/40/43/50/822404350.db2.gz UFRHQVUIAFDWMW-QGZVFWFLSA-N 1 2 390.487 4.290 20 0 GIADLO Cc1cc([C@H](C)[NH2+]Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c(C)s1 ZINC000182989089 822406432 /nfs/dbraw/zinc/40/64/32/822406432.db2.gz PSLYRBYRDUPWEQ-LBPRGKRZSA-N 1 2 394.541 4.359 20 0 GIADLO CC(=O)Nc1cccc(-n2cnn(C[N@H+](Cc3ccccc3)C(C)C)c2=S)c1 ZINC000045715109 822407253 /nfs/dbraw/zinc/40/72/53/822407253.db2.gz JWOPDXUPQKGGNJ-UHFFFAOYSA-N 1 2 395.532 4.230 20 0 GIADLO CC(=O)Nc1cccc(-n2cnn(C[N@@H+](Cc3ccccc3)C(C)C)c2=S)c1 ZINC000045715109 822407255 /nfs/dbraw/zinc/40/72/55/822407255.db2.gz JWOPDXUPQKGGNJ-UHFFFAOYSA-N 1 2 395.532 4.230 20 0 GIADLO C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C2CC2)o1 ZINC000045736486 822409532 /nfs/dbraw/zinc/40/95/32/822409532.db2.gz VMBIKNPYQYMRFA-KKSFZXQISA-N 1 2 375.472 4.453 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)Nc2c(F)cccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000178789778 822409998 /nfs/dbraw/zinc/40/99/98/822409998.db2.gz IBNJZTWDCRTRFH-RDJZCZTQSA-N 1 2 383.801 4.324 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)Nc2c(F)cccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000178789778 822409999 /nfs/dbraw/zinc/40/99/99/822409999.db2.gz IBNJZTWDCRTRFH-RDJZCZTQSA-N 1 2 383.801 4.324 20 0 GIADLO CN1CC[NH+](Cc2cccc(NC(=O)CC3CCC(C(F)(F)F)CC3)c2)CC1 ZINC000183066193 822419641 /nfs/dbraw/zinc/41/96/41/822419641.db2.gz PVRFJCNBSZZKNN-UHFFFAOYSA-N 1 2 397.485 4.131 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3CCC(OC(C)C)CC3)c2C1 ZINC000178978702 822425814 /nfs/dbraw/zinc/42/58/14/822425814.db2.gz URWDUNDDFICTGQ-UHFFFAOYSA-N 1 2 395.547 4.079 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3CCC(OC(C)C)CC3)c2C1 ZINC000178978702 822425816 /nfs/dbraw/zinc/42/58/16/822425816.db2.gz URWDUNDDFICTGQ-UHFFFAOYSA-N 1 2 395.547 4.079 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(-c2ccccc2F)o1 ZINC000045956007 822426586 /nfs/dbraw/zinc/42/65/86/822426586.db2.gz JERRVZDEPQDOKY-UHFFFAOYSA-N 1 2 375.403 4.261 20 0 GIADLO COc1ccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1F ZINC000045965432 822427801 /nfs/dbraw/zinc/42/78/01/822427801.db2.gz PRPBRGREINYOCM-UHFFFAOYSA-N 1 2 398.507 4.303 20 0 GIADLO C[S@@](=O)C[C@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccccc1 ZINC000183133919 822428804 /nfs/dbraw/zinc/42/88/04/822428804.db2.gz GLCUFAZCKHJWSN-RXFWQSSRSA-N 1 2 384.570 4.138 20 0 GIADLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(Br)c1 ZINC000179010519 822429690 /nfs/dbraw/zinc/42/96/90/822429690.db2.gz YKFUMFPOARKGBB-UHFFFAOYSA-N 1 2 388.240 4.012 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2nc3cc(Cl)ccc3s2)c1C ZINC000454159060 822434008 /nfs/dbraw/zinc/43/40/08/822434008.db2.gz MWNINLADICPYQW-UHFFFAOYSA-N 1 2 375.881 4.242 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1-n1cccn1 ZINC000183167919 822434520 /nfs/dbraw/zinc/43/45/20/822434520.db2.gz OXBKBWKIKZMLFL-AWEZNQCLSA-N 1 2 379.851 4.427 20 0 GIADLO COc1ccc([C@@H](C)NC(=O)NCc2c[nH+]c(C)cc2C)cc1Br ZINC000454182339 822436487 /nfs/dbraw/zinc/43/64/87/822436487.db2.gz NGZCKPJVLZFTPG-CYBMUJFWSA-N 1 2 392.297 4.030 20 0 GIADLO O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000179131011 822441494 /nfs/dbraw/zinc/44/14/94/822441494.db2.gz NDQMRNJDDNJJSI-QGZVFWFLSA-N 1 2 399.926 4.126 20 0 GIADLO Cc1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cnn1-c1ccccc1C ZINC000046145359 822443911 /nfs/dbraw/zinc/44/39/11/822443911.db2.gz XLGKLGDKAUYPSJ-UHFFFAOYSA-N 1 2 395.532 4.184 20 0 GIADLO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ncc(Br)s1 ZINC000179198132 822449703 /nfs/dbraw/zinc/44/97/03/822449703.db2.gz ZHDVJGHRXCBUKB-LLVKDONJSA-N 1 2 394.338 4.495 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ncc(Br)s1 ZINC000179204165 822450595 /nfs/dbraw/zinc/45/05/95/822450595.db2.gz GMKCKNSXYSNYOI-QMMMGPOBSA-N 1 2 396.232 4.093 20 0 GIADLO Fc1ccc([C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)c2ccccc2)nc1 ZINC000183352883 822462608 /nfs/dbraw/zinc/46/26/08/822462608.db2.gz OLSRTZNNQUYSTL-LJQANCHMSA-N 1 2 391.368 4.436 20 0 GIADLO Fc1ccc([C@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)c2ccccc2)nc1 ZINC000183353132 822462675 /nfs/dbraw/zinc/46/26/75/822462675.db2.gz WBSFVMBHFNJPSO-LJQANCHMSA-N 1 2 391.368 4.436 20 0 GIADLO Fc1ccc([C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)c2ccccc2)nc1 ZINC000183352865 822462679 /nfs/dbraw/zinc/46/26/79/822462679.db2.gz OLSRTZNNQUYSTL-IBGZPJMESA-N 1 2 391.368 4.436 20 0 GIADLO Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046341229 822462968 /nfs/dbraw/zinc/46/29/68/822462968.db2.gz ZDUFYZJHADJYCU-CEXWTWQISA-N 1 2 382.504 4.010 20 0 GIADLO Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046341229 822462970 /nfs/dbraw/zinc/46/29/70/822462970.db2.gz ZDUFYZJHADJYCU-CEXWTWQISA-N 1 2 382.504 4.010 20 0 GIADLO Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046341227 822463049 /nfs/dbraw/zinc/46/30/49/822463049.db2.gz ZDUFYZJHADJYCU-OTWHNJEPSA-N 1 2 382.504 4.010 20 0 GIADLO Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046341227 822463052 /nfs/dbraw/zinc/46/30/52/822463052.db2.gz ZDUFYZJHADJYCU-OTWHNJEPSA-N 1 2 382.504 4.010 20 0 GIADLO Cc1ccc2c(c1)[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)CCC2 ZINC000179305266 822463494 /nfs/dbraw/zinc/46/34/94/822463494.db2.gz JTZDQNSCDYHJFJ-JOCHJYFZSA-N 1 2 388.515 4.159 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(Cl)ccc2F)C[C@H](C)O1 ZINC000046342841 822463631 /nfs/dbraw/zinc/46/36/31/822463631.db2.gz ACRMPPNFMZTQIJ-OKILXGFUSA-N 1 2 376.859 4.341 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(Cl)ccc2F)C[C@H](C)O1 ZINC000046342841 822463633 /nfs/dbraw/zinc/46/36/33/822463633.db2.gz ACRMPPNFMZTQIJ-OKILXGFUSA-N 1 2 376.859 4.341 20 0 GIADLO CC(C)OCc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046344139 822463837 /nfs/dbraw/zinc/46/38/37/822463837.db2.gz VHYLDFMRSHDGSG-KDURUIRLSA-N 1 2 396.531 4.473 20 0 GIADLO CC(C)OCc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046344139 822463839 /nfs/dbraw/zinc/46/38/39/822463839.db2.gz VHYLDFMRSHDGSG-KDURUIRLSA-N 1 2 396.531 4.473 20 0 GIADLO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000046344365 822463844 /nfs/dbraw/zinc/46/38/44/822463844.db2.gz DUMRFYDQMPKZIH-FXAWDEMLSA-N 1 2 396.512 4.076 20 0 GIADLO CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000046344365 822463845 /nfs/dbraw/zinc/46/38/45/822463845.db2.gz DUMRFYDQMPKZIH-FXAWDEMLSA-N 1 2 396.512 4.076 20 0 GIADLO CC(C)Oc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000046343549 822463863 /nfs/dbraw/zinc/46/38/63/822463863.db2.gz YLPBMHLZAPFTJH-ROUUACIJSA-N 1 2 382.504 4.335 20 0 GIADLO Cc1cc2ccccc2n1CC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000046344479 822464055 /nfs/dbraw/zinc/46/40/55/822464055.db2.gz ILFZZXVNVZDCFI-OALUTQOASA-N 1 2 391.515 4.198 20 0 GIADLO Cc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046345025 822464173 /nfs/dbraw/zinc/46/41/73/822464173.db2.gz AIRZDEXZLYSROZ-CALCHBBNSA-N 1 2 391.515 4.267 20 0 GIADLO Cc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046345025 822464179 /nfs/dbraw/zinc/46/41/79/822464179.db2.gz AIRZDEXZLYSROZ-CALCHBBNSA-N 1 2 391.515 4.267 20 0 GIADLO CCC(CC)n1ncc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)c1C ZINC000179309534 822464240 /nfs/dbraw/zinc/46/42/40/822464240.db2.gz ZRRWGCLFWBMUFK-QGZVFWFLSA-N 1 2 398.551 4.080 20 0 GIADLO COc1cc([C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)ccc1S(C)(=O)=O ZINC000183365814 822464304 /nfs/dbraw/zinc/46/43/04/822464304.db2.gz NIONERWRVQUAJW-KRWDZBQOSA-N 1 2 387.545 4.114 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000046468607 822475943 /nfs/dbraw/zinc/47/59/43/822475943.db2.gz SDEBMCWVEZVZKD-GOSISDBHSA-N 1 2 384.480 4.161 20 0 GIADLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cn1cccnc1=S)CC2 ZINC000046476541 822476714 /nfs/dbraw/zinc/47/67/14/822476714.db2.gz ZBNKQLMPKRVPMF-OAQYLSRUSA-N 1 2 393.512 4.235 20 0 GIADLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cn1cccnc1=S)CC2 ZINC000046476541 822476715 /nfs/dbraw/zinc/47/67/15/822476715.db2.gz ZBNKQLMPKRVPMF-OAQYLSRUSA-N 1 2 393.512 4.235 20 0 GIADLO O=C(NCc1ccccc1OCc1ccccc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000046500264 822478644 /nfs/dbraw/zinc/47/86/44/822478644.db2.gz DXRJBWPYVNDPHV-UHFFFAOYSA-N 1 2 397.478 4.440 20 0 GIADLO COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccccn1 ZINC000179483696 822489281 /nfs/dbraw/zinc/48/92/81/822489281.db2.gz RCKQJYPPKGNHGC-UWYNZWELSA-N 1 2 380.513 4.268 20 0 GIADLO Cc1ccccc1CCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000454517541 822489415 /nfs/dbraw/zinc/48/94/15/822489415.db2.gz UVNYEVPVSKJMKD-WOJBJXKFSA-N 1 2 395.547 4.311 20 0 GIADLO Cc1nc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c(-c2ccccc2)o1 ZINC000183530247 822490447 /nfs/dbraw/zinc/49/04/47/822490447.db2.gz OJBNDIURLODNKR-MRXNPFEDSA-N 1 2 393.462 4.308 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC(C3CCCCC3)C2)C[C@H](C)O1 ZINC000454521409 822490587 /nfs/dbraw/zinc/49/05/87/822490587.db2.gz YNZNJJYQWBKHLL-HDICACEKSA-N 1 2 385.552 4.340 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC(C3CCCCC3)C2)C[C@H](C)O1 ZINC000454521409 822490589 /nfs/dbraw/zinc/49/05/89/822490589.db2.gz YNZNJJYQWBKHLL-HDICACEKSA-N 1 2 385.552 4.340 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)C[C@@H](C)O1 ZINC000454523322 822491039 /nfs/dbraw/zinc/49/10/39/822491039.db2.gz ZUCOGEFPZXKBNI-ZJSJBZJDSA-N 1 2 385.552 4.338 20 0 GIADLO O[C@@](C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)(c1ccccc1)C(F)(F)F ZINC000183548065 822493191 /nfs/dbraw/zinc/49/31/91/822493191.db2.gz JJHAFHZIKOIFFN-UXHICEINSA-N 1 2 390.380 4.350 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc3cnn(C(C)C)c3nc1Cl)C2 ZINC000179529744 822497723 /nfs/dbraw/zinc/49/77/23/822497723.db2.gz HXJPBBJMZSSELJ-UHFFFAOYSA-N 1 2 397.910 4.182 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc3cnn(C(C)C)c3nc1Cl)C2 ZINC000179529744 822497727 /nfs/dbraw/zinc/49/77/27/822497727.db2.gz HXJPBBJMZSSELJ-UHFFFAOYSA-N 1 2 397.910 4.182 20 0 GIADLO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000454580269 822500386 /nfs/dbraw/zinc/50/03/86/822500386.db2.gz OBNKEOBAYJLWDQ-YCPHGPKFSA-N 1 2 380.414 4.306 20 0 GIADLO CC(C)([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1cccc(F)c1 ZINC000179570006 822505234 /nfs/dbraw/zinc/50/52/34/822505234.db2.gz MNVNQKUIMBHAPE-UHFFFAOYSA-N 1 2 383.492 4.237 20 0 GIADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000046721045 822509731 /nfs/dbraw/zinc/50/97/31/822509731.db2.gz OURZUARGFBJHMX-KBPBESRZSA-N 1 2 384.867 4.083 20 0 GIADLO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000046721045 822509734 /nfs/dbraw/zinc/50/97/34/822509734.db2.gz OURZUARGFBJHMX-KBPBESRZSA-N 1 2 384.867 4.083 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(OC(F)F)cc3)n2)cc1 ZINC000179612842 822512911 /nfs/dbraw/zinc/51/29/11/822512911.db2.gz FPTRSZPLKXMVSX-LBPRGKRZSA-N 1 2 375.375 4.197 20 0 GIADLO CCOc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1OC ZINC000183704314 822514256 /nfs/dbraw/zinc/51/42/56/822514256.db2.gz CHQYXVPFZOBMLP-HNNXBMFYSA-N 1 2 389.521 4.066 20 0 GIADLO Cc1ccc(C(=O)CCCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000183729453 822517672 /nfs/dbraw/zinc/51/76/72/822517672.db2.gz OWINURGBIYWSEV-UHFFFAOYSA-N 1 2 393.531 4.440 20 0 GIADLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2OCc2cccnc2)c1C ZINC000179654316 822521080 /nfs/dbraw/zinc/52/10/80/822521080.db2.gz OXDCSLBORGIDGF-UHFFFAOYSA-N 1 2 389.499 4.348 20 0 GIADLO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2OCc2cccnc2)c1C ZINC000179654316 822521085 /nfs/dbraw/zinc/52/10/85/822521085.db2.gz OXDCSLBORGIDGF-UHFFFAOYSA-N 1 2 389.499 4.348 20 0 GIADLO CC(C)c1cnc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)s1 ZINC000183754128 822522642 /nfs/dbraw/zinc/52/26/42/822522642.db2.gz RMSNIEPEMCAYLM-UHFFFAOYSA-N 1 2 395.532 4.273 20 0 GIADLO Cc1cc([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)ccc1N1CCOCC1 ZINC000183755767 822523030 /nfs/dbraw/zinc/52/30/30/822523030.db2.gz JRFFZGNJQQDKTB-UHFFFAOYSA-N 1 2 389.540 4.079 20 0 GIADLO CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCO1 ZINC000183757732 822523238 /nfs/dbraw/zinc/52/32/38/822523238.db2.gz XVDVGQNEUDHHDZ-ATZDWAIDSA-N 1 2 396.934 4.155 20 0 GIADLO CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCO1 ZINC000183757732 822523241 /nfs/dbraw/zinc/52/32/41/822523241.db2.gz XVDVGQNEUDHHDZ-ATZDWAIDSA-N 1 2 396.934 4.155 20 0 GIADLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000179671316 822524122 /nfs/dbraw/zinc/52/41/22/822524122.db2.gz PJCJJNFJDBXSGG-SFHVURJKSA-N 1 2 375.472 4.292 20 0 GIADLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000179671316 822524125 /nfs/dbraw/zinc/52/41/25/822524125.db2.gz PJCJJNFJDBXSGG-SFHVURJKSA-N 1 2 375.472 4.292 20 0 GIADLO C[C@@H](c1cccc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c1)[NH+]1CCOCC1 ZINC000454736760 822525319 /nfs/dbraw/zinc/52/53/19/822525319.db2.gz JPUFSGONCUAGFC-UWJYYQICSA-N 1 2 395.503 4.432 20 0 GIADLO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000179682414 822526593 /nfs/dbraw/zinc/52/65/93/822526593.db2.gz UGLSDGZNZZJPPK-CQSZACIVSA-N 1 2 381.432 4.103 20 0 GIADLO C[C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000179714327 822533485 /nfs/dbraw/zinc/53/34/85/822533485.db2.gz PHAPDCHSDYNBQG-HNNXBMFYSA-N 1 2 398.304 4.114 20 0 GIADLO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(Cc2ccccc2)no1 ZINC000179727808 822536478 /nfs/dbraw/zinc/53/64/78/822536478.db2.gz KWOFDGZDFJNVMA-OYHNWAKOSA-N 1 2 391.471 4.234 20 0 GIADLO C[C@@H]1CCc2c(sc3nc(C[NH2+][C@@H](CCCO)c4ccccc4)nc(N)c23)C1 ZINC000179734218 822538193 /nfs/dbraw/zinc/53/81/93/822538193.db2.gz QDMYBMKIFYYWCR-PBHICJAKSA-N 1 2 396.560 4.002 20 0 GIADLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000179749707 822542193 /nfs/dbraw/zinc/54/21/93/822542193.db2.gz JGBNYMXKFGRFIQ-SFHVURJKSA-N 1 2 397.475 4.393 20 0 GIADLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc(OCc3ccccc3)cc2)s1 ZINC000183920013 822546275 /nfs/dbraw/zinc/54/62/75/822546275.db2.gz LEKSYGPIAVZPAM-UHFFFAOYSA-N 1 2 395.528 4.494 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)c1C ZINC000179762707 822546366 /nfs/dbraw/zinc/54/63/66/822546366.db2.gz QRJIFLXYUUEYJT-QGZVFWFLSA-N 1 2 397.302 4.096 20 0 GIADLO Cc1cc(C)c(NC(=O)c2ncc(Br)cc2Br)c(C)[nH+]1 ZINC000183919077 822546396 /nfs/dbraw/zinc/54/63/96/822546396.db2.gz XVFZELJEIBIZRP-UHFFFAOYSA-N 1 2 399.086 4.179 20 0 GIADLO C[C@@H](C[N@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)c1nccs1 ZINC000183934427 822549903 /nfs/dbraw/zinc/54/99/03/822549903.db2.gz UOYJMTNIXQGLRW-ZDUSSCGKSA-N 1 2 396.541 4.344 20 0 GIADLO C[C@@H](C[N@@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)c1nccs1 ZINC000183934427 822549904 /nfs/dbraw/zinc/54/99/04/822549904.db2.gz UOYJMTNIXQGLRW-ZDUSSCGKSA-N 1 2 396.541 4.344 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179776328 822550615 /nfs/dbraw/zinc/55/06/15/822550615.db2.gz BEWWIHUHTPIXLQ-CYBMUJFWSA-N 1 2 380.423 4.075 20 0 GIADLO Cc1cccc(-c2noc(C[NH2+][C@@H](C)c3ccc(NC(=O)C4CC4)cc3)n2)c1 ZINC000179780278 822551470 /nfs/dbraw/zinc/55/14/70/822551470.db2.gz MLVJEAXBCSBZOY-HNNXBMFYSA-N 1 2 376.460 4.244 20 0 GIADLO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)Nc4cccc(F)c4)CC3)c2c1 ZINC000047257212 822559098 /nfs/dbraw/zinc/55/90/98/822559098.db2.gz PYFDUYZJRXNDJU-UHFFFAOYSA-N 1 2 379.435 4.043 20 0 GIADLO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)Nc4cccc(F)c4)CC3)c2c1 ZINC000047257212 822559101 /nfs/dbraw/zinc/55/91/01/822559101.db2.gz PYFDUYZJRXNDJU-UHFFFAOYSA-N 1 2 379.435 4.043 20 0 GIADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)on1 ZINC000047273515 822560610 /nfs/dbraw/zinc/56/06/10/822560610.db2.gz WIAKYFAPHIPATK-FCHUYYIVSA-N 1 2 389.499 4.220 20 0 GIADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)on1 ZINC000047273515 822560611 /nfs/dbraw/zinc/56/06/11/822560611.db2.gz WIAKYFAPHIPATK-FCHUYYIVSA-N 1 2 389.499 4.220 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@@H](C)c2ccc(Br)cc2F)c[nH+]1 ZINC000454962779 822563707 /nfs/dbraw/zinc/56/37/07/822563707.db2.gz OPSRCGFSUSEUOL-LBPRGKRZSA-N 1 2 380.261 4.160 20 0 GIADLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1nnc(Cc2ccccc2C)o1 ZINC000184012341 822563771 /nfs/dbraw/zinc/56/37/71/822563771.db2.gz AWLGOXPKJSSOIU-HXUWFJFHSA-N 1 2 376.504 4.070 20 0 GIADLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1nnc(Cc2ccccc2C)o1 ZINC000184012341 822563772 /nfs/dbraw/zinc/56/37/72/822563772.db2.gz AWLGOXPKJSSOIU-HXUWFJFHSA-N 1 2 376.504 4.070 20 0 GIADLO CC(C)[C@H](CO)[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)C ZINC000455016378 822571681 /nfs/dbraw/zinc/57/16/81/822571681.db2.gz AHJBKHKPWFZCQZ-UGKGYDQZSA-N 1 2 396.535 4.012 20 0 GIADLO C[C@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)Cc1ccc(Cl)cc1 ZINC000179937292 822580806 /nfs/dbraw/zinc/58/08/06/822580806.db2.gz QFYCTVHFYRXCAJ-ROUUACIJSA-N 1 2 385.939 4.209 20 0 GIADLO O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000179937170 822580811 /nfs/dbraw/zinc/58/08/11/822580811.db2.gz OJFHZYRZCRQGQA-CYBMUJFWSA-N 1 2 390.468 4.067 20 0 GIADLO CC(=O)c1cccc(OCc2cc(C(=O)Nc3c(C)cc(C)[nH+]c3C)no2)c1 ZINC000179939817 822581290 /nfs/dbraw/zinc/58/12/90/822581290.db2.gz CWLJBBPTBMYNED-UHFFFAOYSA-N 1 2 379.416 4.029 20 0 GIADLO CC(C)COC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1Cl)c1ccco1 ZINC000184155544 822587191 /nfs/dbraw/zinc/58/71/91/822587191.db2.gz IVCYFWXFBGPQPQ-CRAIPNDOSA-N 1 2 378.900 4.114 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(-c2cccc(Cl)c2)on1 ZINC000047527661 822587545 /nfs/dbraw/zinc/58/75/45/822587545.db2.gz GPIGOFIVOYGPSH-UHFFFAOYSA-N 1 2 392.846 4.170 20 0 GIADLO C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000455100910 822589071 /nfs/dbraw/zinc/58/90/71/822589071.db2.gz BASXRBXYBRZNGO-YWZLYKJASA-N 1 2 395.894 4.213 20 0 GIADLO CC[C@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1nc(C)cs1 ZINC000455108960 822590065 /nfs/dbraw/zinc/59/00/65/822590065.db2.gz NGSQBGVCELTEHD-HNNXBMFYSA-N 1 2 389.912 4.241 20 0 GIADLO Cc1ccc([C@@H]2CCCN2C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)o1 ZINC000455109794 822590309 /nfs/dbraw/zinc/59/03/09/822590309.db2.gz OJLPSXDPHWLZHS-SFHVURJKSA-N 1 2 384.867 4.474 20 0 GIADLO CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047569357 822591666 /nfs/dbraw/zinc/59/16/66/822591666.db2.gz WBXKCHDYKWKWPU-RTBURBONSA-N 1 2 381.520 4.350 20 0 GIADLO Cc1ccc(CN(C)C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000047569444 822591867 /nfs/dbraw/zinc/59/18/67/822591867.db2.gz GLMCETUYJCYNCV-OALUTQOASA-N 1 2 381.520 4.268 20 0 GIADLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F)c1ccco1 ZINC000184180398 822591858 /nfs/dbraw/zinc/59/18/58/822591858.db2.gz SCLPJMUOXPCKIM-SUMWQHHRSA-N 1 2 382.863 4.403 20 0 GIADLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F)c1ccco1 ZINC000184180379 822591890 /nfs/dbraw/zinc/59/18/90/822591890.db2.gz SCLPJMUOXPCKIM-GUYCJALGSA-N 1 2 382.863 4.403 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCc2ccccc2)C[C@@H](C)O1 ZINC000047569984 822592125 /nfs/dbraw/zinc/59/21/25/822592125.db2.gz ZDIBNAPOMSBUKD-RTBURBONSA-N 1 2 381.520 4.002 20 0 GIADLO Cc1ccccc1-c1noc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)n1 ZINC000179993579 822592442 /nfs/dbraw/zinc/59/24/42/822592442.db2.gz CBTYRQJDZXIYFM-HUUCEWRRSA-N 1 2 376.460 4.342 20 0 GIADLO C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000047625337 822597915 /nfs/dbraw/zinc/59/79/15/822597915.db2.gz HFUBTJQSRVCDOS-HZPDHXFCSA-N 1 2 380.517 4.127 20 0 GIADLO O=C(NCC[C@H]1CCc2ccccc21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455165449 822600580 /nfs/dbraw/zinc/60/05/80/822600580.db2.gz VHLMGSVMMHZBQA-OAQYLSRUSA-N 1 2 380.536 4.205 20 0 GIADLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nc(C(F)(F)F)cs3)ccc2NC1=O ZINC000180029270 822600618 /nfs/dbraw/zinc/60/06/18/822600618.db2.gz RLBZRIMJODXJIR-CABZTGNLSA-N 1 2 385.411 4.122 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C)cn1 ZINC000184248043 822602602 /nfs/dbraw/zinc/60/26/02/822602602.db2.gz FNSQGUGSVAQJPI-UHFFFAOYSA-N 1 2 393.491 4.110 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)c2cccc(F)c2)cn1 ZINC000180039580 822602696 /nfs/dbraw/zinc/60/26/96/822602696.db2.gz ZJLSPWPEWFVUEO-QFIPXVFZSA-N 1 2 392.478 4.177 20 0 GIADLO COc1ccccc1C[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000180067239 822608112 /nfs/dbraw/zinc/60/81/12/822608112.db2.gz WICYTTQFASYFPF-UHFFFAOYSA-N 1 2 390.483 4.383 20 0 GIADLO COc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000180067239 822608114 /nfs/dbraw/zinc/60/81/14/822608114.db2.gz WICYTTQFASYFPF-UHFFFAOYSA-N 1 2 390.483 4.383 20 0 GIADLO COc1ccc2oc([C@@H](C)[NH2+][C@H](C)c3nc4ccccc4c(=O)[nH]3)c(C)c2c1 ZINC000184330757 822616603 /nfs/dbraw/zinc/61/66/03/822616603.db2.gz KOWOZZKBGSUJKK-ZIAGYGMSSA-N 1 2 377.444 4.398 20 0 GIADLO C[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1Cl ZINC000047891166 822617017 /nfs/dbraw/zinc/61/70/17/822617017.db2.gz PHSPOOAWVSNSNG-MRXNPFEDSA-N 1 2 382.895 4.188 20 0 GIADLO COc1ccc2oc([C@H](C)[NH2+]Cc3nnnn3-c3c(C)cccc3C)c(C)c2c1 ZINC000184340922 822618553 /nfs/dbraw/zinc/61/85/53/822618553.db2.gz KAJYNBYXCDXXLV-INIZCTEOSA-N 1 2 391.475 4.193 20 0 GIADLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ncc(C(C)(C)C)o1 ZINC000180117996 822618823 /nfs/dbraw/zinc/61/88/23/822618823.db2.gz HXGHLURQOWCLBM-WBHUJUFNSA-N 1 2 375.900 4.248 20 0 GIADLO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ncc(C(C)(C)C)o1 ZINC000180118029 822618872 /nfs/dbraw/zinc/61/88/72/822618872.db2.gz HXGHLURQOWCLBM-XLWVJDPXSA-N 1 2 375.900 4.248 20 0 GIADLO C[C@]1(Cc2ccccc2)CCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000184367478 822623064 /nfs/dbraw/zinc/62/30/64/822623064.db2.gz UWXBSRGROFHJSZ-XMMPIXPASA-N 1 2 388.515 4.238 20 0 GIADLO CCc1nn(C)cc1C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000180147604 822626702 /nfs/dbraw/zinc/62/67/02/822626702.db2.gz HFHARJRBTPOZAF-UHFFFAOYSA-N 1 2 380.439 4.415 20 0 GIADLO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@@H](C)c3nccs3)n2)cc1C ZINC000184397109 822628071 /nfs/dbraw/zinc/62/80/71/822628071.db2.gz CIXNPAUVUORBCC-AWEZNQCLSA-N 1 2 386.546 4.481 20 0 GIADLO C[C@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1nccs1 ZINC000184425354 822632779 /nfs/dbraw/zinc/63/27/79/822632779.db2.gz OPUNGBZKOVCWTO-LBPRGKRZSA-N 1 2 383.439 4.004 20 0 GIADLO COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184463569 822640261 /nfs/dbraw/zinc/64/02/61/822640261.db2.gz XNDBRPBWEVCQCF-CQSZACIVSA-N 1 2 387.549 4.079 20 0 GIADLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1nc2ccc(Cl)cc2n1C ZINC000180211488 822640267 /nfs/dbraw/zinc/64/02/67/822640267.db2.gz ZDUOBFHWKRACFO-LLVKDONJSA-N 1 2 380.826 4.116 20 0 GIADLO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)C2CC2)o1 ZINC000184467488 822641144 /nfs/dbraw/zinc/64/11/44/822641144.db2.gz ZXWPFQCQRQEEJK-AWEZNQCLSA-N 1 2 375.538 4.184 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184503538 822646748 /nfs/dbraw/zinc/64/67/48/822646748.db2.gz UWVYLUHEVPHIHN-OLZOCXBDSA-N 1 2 391.537 4.136 20 0 GIADLO CCCCn1c(SCc2cn3cc(C)ccc3n2)nnc1[C@@H](CC)[NH+](C)C ZINC000184527063 822651255 /nfs/dbraw/zinc/65/12/55/822651255.db2.gz WXHNYUFQZSBRLX-QGZVFWFLSA-N 1 2 386.569 4.339 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@H+](Cc2cccnc2)C2CC2)c2cccs2)cc1 ZINC000180279817 822653873 /nfs/dbraw/zinc/65/38/73/822653873.db2.gz GQAYKLZTAXKSOX-HSZRJFAPSA-N 1 2 391.540 4.322 20 0 GIADLO Cc1ccc([C@@H](NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)c2cccs2)cc1 ZINC000180279817 822653875 /nfs/dbraw/zinc/65/38/75/822653875.db2.gz GQAYKLZTAXKSOX-HSZRJFAPSA-N 1 2 391.540 4.322 20 0 GIADLO O=C([C@H]1CCn2cc[nH+]c2C1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000455444927 822655418 /nfs/dbraw/zinc/65/54/18/822655418.db2.gz KXYFLKWLAXEHGO-HNNXBMFYSA-N 1 2 391.437 4.436 20 0 GIADLO Cc1cccc(C2=CCN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2)c1 ZINC000180293520 822657626 /nfs/dbraw/zinc/65/76/26/822657626.db2.gz IRUVEFAVRVWSDA-UHFFFAOYSA-N 1 2 386.499 4.239 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)[nH+]1 ZINC000455466610 822659977 /nfs/dbraw/zinc/65/99/77/822659977.db2.gz FOQOEYREGINDLL-UHFFFAOYSA-N 1 2 392.425 4.380 20 0 GIADLO O=C(NCc1ccccc1)/C(=C/c1cccc2[nH+]ccn21)c1nc2ccccc2[nH]1 ZINC000180309558 822661363 /nfs/dbraw/zinc/66/13/63/822661363.db2.gz AFQDXVARRGTEIN-XDJHFCHBSA-N 1 2 393.450 4.068 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)s1 ZINC000184586637 822661936 /nfs/dbraw/zinc/66/19/36/822661936.db2.gz IICTVCNLSPKPMG-OAHLLOKOSA-N 1 2 384.402 4.222 20 0 GIADLO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)s1 ZINC000184586619 822661954 /nfs/dbraw/zinc/66/19/54/822661954.db2.gz IICTVCNLSPKPMG-HNNXBMFYSA-N 1 2 384.402 4.222 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000455480540 822662856 /nfs/dbraw/zinc/66/28/56/822662856.db2.gz OEZSXQMAHBRECD-SFHVURJKSA-N 1 2 383.883 4.305 20 0 GIADLO Cc1cc(C)c(NC(=O)N(C)CCc2ccc(Br)cc2)c(C)[nH+]1 ZINC000455488971 822664629 /nfs/dbraw/zinc/66/46/29/822664629.db2.gz VDTGIRXLVRWRNS-UHFFFAOYSA-N 1 2 376.298 4.476 20 0 GIADLO COc1ccc(C)cc1C1(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)CCOCC1 ZINC000455491192 822664934 /nfs/dbraw/zinc/66/49/34/822664934.db2.gz YASVVTSYCHKXLP-UHFFFAOYSA-N 1 2 397.519 4.194 20 0 GIADLO COCCCN(CCc1ccc(OC)cc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455491181 822665007 /nfs/dbraw/zinc/66/50/07/822665007.db2.gz XZYAJRVLKSWXPJ-UHFFFAOYSA-N 1 2 385.508 4.129 20 0 GIADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Oc1ccccc1)c1ccco1 ZINC000184626117 822667785 /nfs/dbraw/zinc/66/77/85/822667785.db2.gz XYVNVNUIYRXQSZ-APWZRJJASA-N 1 2 380.444 4.376 20 0 GIADLO C[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccc(Cl)s1 ZINC000048507498 822668570 /nfs/dbraw/zinc/66/85/70/822668570.db2.gz MCVWRTGAFPMKHC-CQSZACIVSA-N 1 2 388.924 4.249 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1ccc(C)o1 ZINC000184631928 822668608 /nfs/dbraw/zinc/66/86/08/822668608.db2.gz VBAMVVAAGYJUBJ-OAQYLSRUSA-N 1 2 392.499 4.113 20 0 GIADLO Cc1cc(C)c(NC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)[nH+]1 ZINC000455515129 822669365 /nfs/dbraw/zinc/66/93/65/822669365.db2.gz JUZYGJZGXRCZGH-UHFFFAOYSA-N 1 2 395.290 4.464 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000455526295 822670728 /nfs/dbraw/zinc/67/07/28/822670728.db2.gz NBXBLKCVNKWGME-NJDAHSKKSA-N 1 2 380.536 4.283 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(C)CCCc2cc(-c3ccccc3)no2)c[nH+]1 ZINC000455554234 822674172 /nfs/dbraw/zinc/67/41/72/822674172.db2.gz HXOLLJDFPPAMRU-UHFFFAOYSA-N 1 2 378.476 4.128 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c[nH+]1 ZINC000455557284 822674441 /nfs/dbraw/zinc/67/44/41/822674441.db2.gz HWELTLJGHDJVJB-GOSISDBHSA-N 1 2 393.409 4.000 20 0 GIADLO CCc1c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)[nH]c(C)c1C(C)=O ZINC000048679192 822678000 /nfs/dbraw/zinc/67/80/00/822678000.db2.gz CJGPTSOABYEDFT-LBPRGKRZSA-N 1 2 388.537 4.029 20 0 GIADLO CCc1c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)[nH]c(C)c1C(C)=O ZINC000048679192 822678002 /nfs/dbraw/zinc/67/80/02/822678002.db2.gz CJGPTSOABYEDFT-LBPRGKRZSA-N 1 2 388.537 4.029 20 0 GIADLO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000048738150 822680208 /nfs/dbraw/zinc/68/02/08/822680208.db2.gz RGRJWOYABUVDSO-UHFFFAOYSA-N 1 2 392.463 4.047 20 0 GIADLO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@@H](C)c1csc(CC)n1 ZINC000184728907 822682928 /nfs/dbraw/zinc/68/29/28/822682928.db2.gz CXUNLSNFUNKVDL-HOCLYGCPSA-N 1 2 375.538 4.022 20 0 GIADLO CCOc1cc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)ccc1OC ZINC000184742656 822684637 /nfs/dbraw/zinc/68/46/37/822684637.db2.gz UMBOVIONNZXPLW-UHFFFAOYSA-N 1 2 391.515 4.091 20 0 GIADLO c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000184743692 822684892 /nfs/dbraw/zinc/68/48/92/822684892.db2.gz ZJNPPYZIAGPTGZ-UHFFFAOYSA-N 1 2 383.499 4.074 20 0 GIADLO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000184743692 822684897 /nfs/dbraw/zinc/68/48/97/822684897.db2.gz ZJNPPYZIAGPTGZ-UHFFFAOYSA-N 1 2 383.499 4.074 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)cs1 ZINC000184746524 822685438 /nfs/dbraw/zinc/68/54/38/822685438.db2.gz HJOCEUOIOFCISV-LLVKDONJSA-N 1 2 382.327 4.066 20 0 GIADLO COC[C@@H]([NH2+][C@H](C)C(=O)NC(c1ccccc1)c1ccccc1)c1ccc(C)o1 ZINC000184760570 822687326 /nfs/dbraw/zinc/68/73/26/822687326.db2.gz FMMBBFLXFSYPHY-WIYYLYMNSA-N 1 2 392.499 4.159 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484766 822689562 /nfs/dbraw/zinc/68/95/62/822689562.db2.gz OKSQVGKOZHTROY-LRDDRELGSA-N 1 2 382.451 4.349 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484766 822689565 /nfs/dbraw/zinc/68/95/65/822689565.db2.gz OKSQVGKOZHTROY-LRDDRELGSA-N 1 2 382.451 4.349 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H](c2ccccc2)C(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000455654639 822692294 /nfs/dbraw/zinc/69/22/94/822692294.db2.gz QPSLVYNKDLUONT-OKZBNKHCSA-N 1 2 395.400 4.016 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)N[C@@H](c2ccccc2)C(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000455654639 822692295 /nfs/dbraw/zinc/69/22/95/822692295.db2.gz QPSLVYNKDLUONT-OKZBNKHCSA-N 1 2 395.400 4.016 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)N[C@H](c2ccccc2)C(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000455654637 822692324 /nfs/dbraw/zinc/69/23/24/822692324.db2.gz QPSLVYNKDLUONT-KSZLIROESA-N 1 2 395.400 4.016 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)N[C@H](c2ccccc2)C(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000455654637 822692325 /nfs/dbraw/zinc/69/23/25/822692325.db2.gz QPSLVYNKDLUONT-KSZLIROESA-N 1 2 395.400 4.016 20 0 GIADLO Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000184848478 822699935 /nfs/dbraw/zinc/69/99/35/822699935.db2.gz PMSTYPDOVJOJAK-MEDUHNTESA-N 1 2 395.276 4.208 20 0 GIADLO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184862730 822702502 /nfs/dbraw/zinc/70/25/02/822702502.db2.gz YOBHTSCESNJONX-ROUUACIJSA-N 1 2 377.488 4.048 20 0 GIADLO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000184869174 822703966 /nfs/dbraw/zinc/70/39/66/822703966.db2.gz GMBURSIGUWZILN-PMPSAXMXSA-N 1 2 381.451 4.397 20 0 GIADLO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ncc(-c2ccccc2)o1 ZINC000184872865 822704736 /nfs/dbraw/zinc/70/47/36/822704736.db2.gz RXOWFRDHWGWMLO-LBPRGKRZSA-N 1 2 375.881 4.024 20 0 GIADLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000180574782 822704929 /nfs/dbraw/zinc/70/49/29/822704929.db2.gz QVLSRNFQAXPWML-QZTJIDSGSA-N 1 2 376.287 4.140 20 0 GIADLO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ncc(-c2ccccc2)o1 ZINC000184872888 822704963 /nfs/dbraw/zinc/70/49/63/822704963.db2.gz RXOWFRDHWGWMLO-GFCCVEGCSA-N 1 2 375.881 4.024 20 0 GIADLO CCCC[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1cc(C)on1 ZINC000184874060 822705003 /nfs/dbraw/zinc/70/50/03/822705003.db2.gz OOKKMAGAXDIWIB-RDJZCZTQSA-N 1 2 382.464 4.486 20 0 GIADLO CCCC[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1cc(C)on1 ZINC000184874118 822705197 /nfs/dbraw/zinc/70/51/97/822705197.db2.gz OOKKMAGAXDIWIB-NVXWUHKLSA-N 1 2 382.464 4.486 20 0 GIADLO Cc1cccc(C2(C(=O)NC3CCN(c4cccc[nH+]4)CC3)CCCCC2)c1 ZINC000049766962 822708203 /nfs/dbraw/zinc/70/82/03/822708203.db2.gz ABLSPTDWUNTQIO-UHFFFAOYSA-N 1 2 377.532 4.377 20 0 GIADLO Cc1ccc(F)c(Br)c1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000455751821 822719739 /nfs/dbraw/zinc/71/97/39/822719739.db2.gz NWIORYPLUOQGLM-UHFFFAOYSA-N 1 2 381.249 4.031 20 0 GIADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@@H](C)c2ncc(C)s2)cc1 ZINC000184988389 822722521 /nfs/dbraw/zinc/72/25/21/822722521.db2.gz OZHRGUWMQROHDA-LPHOPBHVSA-N 1 2 387.549 4.255 20 0 GIADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000184990887 822722712 /nfs/dbraw/zinc/72/27/12/822722712.db2.gz BCDGKCDNMUHJFP-JSGCOSHPSA-N 1 2 385.459 4.116 20 0 GIADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000184990887 822722713 /nfs/dbraw/zinc/72/27/13/822722713.db2.gz BCDGKCDNMUHJFP-JSGCOSHPSA-N 1 2 385.459 4.116 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)s1 ZINC000184995631 822723226 /nfs/dbraw/zinc/72/32/26/822723226.db2.gz ZQFPNKUSSIFAGZ-QRWLVFNGSA-N 1 2 397.569 4.338 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H](c1ccccc1)n1cccn1 ZINC000050316098 822725385 /nfs/dbraw/zinc/72/53/85/822725385.db2.gz HKSYSZRUPQHQCM-QFIPXVFZSA-N 1 2 397.482 4.311 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cccc(CSc3ccccn3)c2)s1 ZINC000185015466 822725530 /nfs/dbraw/zinc/72/55/30/822725530.db2.gz VNYJPMFUEYMDJM-OAHLLOKOSA-N 1 2 398.557 4.428 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]Cc2cc3c(cc2Br)OCCCO3)s1 ZINC000185033037 822727506 /nfs/dbraw/zinc/72/75/06/822727506.db2.gz UYWDQWAADZSMFQ-LLVKDONJSA-N 1 2 383.311 4.226 20 0 GIADLO CC(F)(F)c1ccccc1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000455801566 822728913 /nfs/dbraw/zinc/72/89/13/822728913.db2.gz GMSGVYRKCSKKNR-UHFFFAOYSA-N 1 2 389.446 4.027 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)c1C ZINC000050448383 822729682 /nfs/dbraw/zinc/72/96/82/822729682.db2.gz OURMRIABLDMRIR-UHFFFAOYSA-N 1 2 395.528 4.306 20 0 GIADLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1nccs1 ZINC000185058313 822730518 /nfs/dbraw/zinc/73/05/18/822730518.db2.gz MNQVAPPXZYTZHB-BXUZGUMPSA-N 1 2 390.509 4.474 20 0 GIADLO C[C@@H]([NH2+]CCOc1ccccc1C(=O)OC(C)(C)C)c1nc(C(C)(C)C)no1 ZINC000185063210 822731311 /nfs/dbraw/zinc/73/13/11/822731311.db2.gz WAODWRSFOYJUBT-CQSZACIVSA-N 1 2 389.496 4.052 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCCOc2ccccc2Cl)c1C ZINC000050629878 822735119 /nfs/dbraw/zinc/73/51/19/822735119.db2.gz KRXNMELUMWCZLN-UHFFFAOYSA-N 1 2 376.884 4.178 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C(=O)OC(C)C)cc3)n2)c1 ZINC000185114845 822738989 /nfs/dbraw/zinc/73/89/89/822738989.db2.gz HIDNAWBKCXUWPG-OAHLLOKOSA-N 1 2 395.459 4.161 20 0 GIADLO CCCOc1ncccc1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185143295 822742402 /nfs/dbraw/zinc/74/24/02/822742402.db2.gz KJOIQYROJYBBEL-NSHDSACASA-N 1 2 383.261 4.328 20 0 GIADLO COCC[N@H+](Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S)C1CCCC1 ZINC000050899098 822742509 /nfs/dbraw/zinc/74/25/09/822742509.db2.gz BIGAPHASVXROAJ-UHFFFAOYSA-N 1 2 380.945 4.120 20 0 GIADLO COCC[N@@H+](Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S)C1CCCC1 ZINC000050899098 822742511 /nfs/dbraw/zinc/74/25/11/822742511.db2.gz BIGAPHASVXROAJ-UHFFFAOYSA-N 1 2 380.945 4.120 20 0 GIADLO CC(C)Sc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000051035652 822744707 /nfs/dbraw/zinc/74/47/07/822744707.db2.gz FWPOHFJQFFZVHV-UHFFFAOYSA-N 1 2 379.529 4.404 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 ZINC000455912069 822747741 /nfs/dbraw/zinc/74/77/41/822747741.db2.gz BKXKRUKNXJINTI-UHFFFAOYSA-N 1 2 399.495 4.159 20 0 GIADLO CCC1(CC)C[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[S@@]1=O ZINC000185223655 822751286 /nfs/dbraw/zinc/75/12/86/822751286.db2.gz SSJJGTFZKOOQLN-SANMLTNESA-N 1 2 380.554 4.157 20 0 GIADLO CCC1(CC)C[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC[S@@]1=O ZINC000185223655 822751287 /nfs/dbraw/zinc/75/12/87/822751287.db2.gz SSJJGTFZKOOQLN-SANMLTNESA-N 1 2 380.554 4.157 20 0 GIADLO COc1cc(-c2ccccc2)sc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000051376715 822758055 /nfs/dbraw/zinc/75/80/55/822758055.db2.gz ABYFXVOTZIWEPP-UHFFFAOYSA-N 1 2 393.512 4.349 20 0 GIADLO Cc1cc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c(C)n1C(C)C ZINC000174282553 822762531 /nfs/dbraw/zinc/76/25/31/822762531.db2.gz CGGHKQQDXJOFDN-UHFFFAOYSA-N 1 2 382.552 4.151 20 0 GIADLO c1ccc(-n2c(C[NH+]3CCCC3)nnc2Sc2nc3ccccc3o2)cc1 ZINC000051562626 822766114 /nfs/dbraw/zinc/76/61/14/822766114.db2.gz KQARHSAOEXEQGN-UHFFFAOYSA-N 1 2 377.473 4.156 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c1C ZINC000051588040 822767322 /nfs/dbraw/zinc/76/73/22/822767322.db2.gz QFVISDYDNSSBQV-UHFFFAOYSA-N 1 2 384.480 4.013 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cccc(CC(F)(F)F)c1 ZINC000174316090 822769893 /nfs/dbraw/zinc/76/98/93/822769893.db2.gz HFOGXNOSCRCDKG-UHFFFAOYSA-N 1 2 392.425 4.498 20 0 GIADLO CCOc1cc(C[N@H+](C)Cc2cn3c(cccc3C)n2)ccc1OC(F)F ZINC000051706488 822775255 /nfs/dbraw/zinc/77/52/55/822775255.db2.gz ZVDVXSYDYJAWMG-UHFFFAOYSA-N 1 2 375.419 4.275 20 0 GIADLO CCOc1cc(C[N@@H+](C)Cc2cn3c(cccc3C)n2)ccc1OC(F)F ZINC000051706488 822775259 /nfs/dbraw/zinc/77/52/59/822775259.db2.gz ZVDVXSYDYJAWMG-UHFFFAOYSA-N 1 2 375.419 4.275 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000185396286 822778470 /nfs/dbraw/zinc/77/84/70/822778470.db2.gz VIISKNOYGDACFB-UHFFFAOYSA-N 1 2 379.769 4.475 20 0 GIADLO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185414718 822780832 /nfs/dbraw/zinc/78/08/32/822780832.db2.gz UOIBFUHNMUCQLZ-KSFYIVLOSA-N 1 2 394.494 4.389 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccc(NC(N)=O)cc1 ZINC000185445875 822785062 /nfs/dbraw/zinc/78/50/62/822785062.db2.gz VHNNQRUHCBWZEQ-ZJUUUORDSA-N 1 2 396.260 4.196 20 0 GIADLO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000051991755 822786008 /nfs/dbraw/zinc/78/60/08/822786008.db2.gz SRUKFAWUMNKPLZ-GOSISDBHSA-N 1 2 382.504 4.182 20 0 GIADLO Cc1cccn2cc(C[NH2+]Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)nc12 ZINC000174425847 822788406 /nfs/dbraw/zinc/78/84/06/822788406.db2.gz RCPRINGBSVSNID-IBGZPJMESA-N 1 2 385.895 4.144 20 0 GIADLO O=C(Nc1ccccc1-c1ccccc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000174440740 822790110 /nfs/dbraw/zinc/79/01/10/822790110.db2.gz XFJKTLWTOQNTGX-HXUWFJFHSA-N 1 2 379.504 4.072 20 0 GIADLO COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3nccn3CC(C)C)c2)cc1 ZINC000174454894 822792214 /nfs/dbraw/zinc/79/22/14/822792214.db2.gz OOGCBSQWDKYXBH-UHFFFAOYSA-N 1 2 392.503 4.090 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(Oc2ccccn2)c1 ZINC000174506326 822798306 /nfs/dbraw/zinc/79/83/06/822798306.db2.gz RACMVVNSQDTDGT-UHFFFAOYSA-N 1 2 385.427 4.381 20 0 GIADLO O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCN(c2cccc[nH+]2)CC1 ZINC000052604868 822804919 /nfs/dbraw/zinc/80/49/19/822804919.db2.gz AOVRTSLVTFUXRW-UHFFFAOYSA-N 1 2 396.494 4.047 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nc(-c2ccsc2)no1 ZINC000185649206 822806715 /nfs/dbraw/zinc/80/67/15/822806715.db2.gz IKRLLOHUZYTSGL-VIFPVBQESA-N 1 2 385.415 4.025 20 0 GIADLO COC(=O)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3ccccc3C)no2)cc1 ZINC000185653975 822807137 /nfs/dbraw/zinc/80/71/37/822807137.db2.gz YQUOZFBAVKWUGO-CVEARBPZSA-N 1 2 395.459 4.009 20 0 GIADLO C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)Cc1ccc(Cl)nc1 ZINC000174581572 822808024 /nfs/dbraw/zinc/80/80/24/822808024.db2.gz OVGHTMGFHMJREL-UHFFFAOYSA-N 1 2 377.891 4.133 20 0 GIADLO C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)Cc1ccc(Cl)nc1 ZINC000174581572 822808026 /nfs/dbraw/zinc/80/80/26/822808026.db2.gz OVGHTMGFHMJREL-UHFFFAOYSA-N 1 2 377.891 4.133 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000052749726 822809498 /nfs/dbraw/zinc/80/94/98/822809498.db2.gz HBVXGXOOGMNORQ-INIZCTEOSA-N 1 2 378.501 4.081 20 0 GIADLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccc(O)cc3)CC2)cc1 ZINC000052802462 822810804 /nfs/dbraw/zinc/81/08/04/822810804.db2.gz WVXZJCVHDUVNQE-UHFFFAOYSA-N 1 2 394.515 4.124 20 0 GIADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847888 822812700 /nfs/dbraw/zinc/81/27/00/822812700.db2.gz YPODTEGSLJWRRG-SECBINFHSA-N 1 2 388.718 4.018 20 0 GIADLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000052823849 822812238 /nfs/dbraw/zinc/81/22/38/822812238.db2.gz HNECYXUEJHXNSV-HNNXBMFYSA-N 1 2 388.450 4.133 20 0 GIADLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000052823849 822812240 /nfs/dbraw/zinc/81/22/40/822812240.db2.gz HNECYXUEJHXNSV-HNNXBMFYSA-N 1 2 388.450 4.133 20 0 GIADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847888 822812699 /nfs/dbraw/zinc/81/26/99/822812699.db2.gz YPODTEGSLJWRRG-SECBINFHSA-N 1 2 388.718 4.018 20 0 GIADLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cccnc2Cl)c2ccccc2)c1 ZINC000174631012 822814736 /nfs/dbraw/zinc/81/47/36/822814736.db2.gz BPFXXZVDLAVXSP-LJQANCHMSA-N 1 2 386.904 4.018 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174664743 822820648 /nfs/dbraw/zinc/82/06/48/822820648.db2.gz AVQNQZBAZXKZOE-LLVKDONJSA-N 1 2 376.229 4.489 20 0 GIADLO COCC[N@H+](CC(=O)Nc1ccccc1SC(F)F)Cc1cccs1 ZINC000053100094 822821559 /nfs/dbraw/zinc/82/15/59/822821559.db2.gz WERUUYICPOQNND-UHFFFAOYSA-N 1 2 386.489 4.150 20 0 GIADLO COCC[N@@H+](CC(=O)Nc1ccccc1SC(F)F)Cc1cccs1 ZINC000053100094 822821561 /nfs/dbraw/zinc/82/15/61/822821561.db2.gz WERUUYICPOQNND-UHFFFAOYSA-N 1 2 386.489 4.150 20 0 GIADLO O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000174678824 822822335 /nfs/dbraw/zinc/82/23/35/822822335.db2.gz YVTVSDDMSANLBI-UHFFFAOYSA-N 1 2 393.834 4.351 20 0 GIADLO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000185826397 822824851 /nfs/dbraw/zinc/82/48/51/822824851.db2.gz BDOKCVNTMCMALO-PIGZYNQJSA-N 1 2 398.272 4.077 20 0 GIADLO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185834145 822825563 /nfs/dbraw/zinc/82/55/63/822825563.db2.gz XEUMSERZAPZZDA-BWACUDIHSA-N 1 2 382.273 4.457 20 0 GIADLO CCCCOc1cc(OC)ccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000185898843 822831269 /nfs/dbraw/zinc/83/12/69/822831269.db2.gz JPQLABARLUBRSR-UHFFFAOYSA-N 1 2 393.487 4.049 20 0 GIADLO Cc1noc(C)c1C[N@@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000053351144 822831360 /nfs/dbraw/zinc/83/13/60/822831360.db2.gz IEGNDUZERLRQTB-UHFFFAOYSA-N 1 2 375.213 4.287 20 0 GIADLO Cc1noc(C)c1C[N@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000053351144 822831364 /nfs/dbraw/zinc/83/13/64/822831364.db2.gz IEGNDUZERLRQTB-UHFFFAOYSA-N 1 2 375.213 4.287 20 0 GIADLO Cc1cc(C)c(CNC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)c[nH+]1 ZINC000456834734 822836602 /nfs/dbraw/zinc/83/66/02/822836602.db2.gz IGKIUYFMPSNXHF-KRWDZBQOSA-N 1 2 375.472 4.173 20 0 GIADLO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185957716 822837313 /nfs/dbraw/zinc/83/73/13/822837313.db2.gz GHASQBJFYXTIPY-JTQLQIEISA-N 1 2 376.400 4.345 20 0 GIADLO Cc1cccc([C@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1C ZINC000174861275 822847839 /nfs/dbraw/zinc/84/78/39/822847839.db2.gz SCWWAHRKRJLTIK-OAQYLSRUSA-N 1 2 378.520 4.345 20 0 GIADLO CCc1ccccc1NC(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000053780795 822847945 /nfs/dbraw/zinc/84/79/45/822847945.db2.gz IBZARIHNGDCVBX-HSZRJFAPSA-N 1 2 387.483 4.157 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000053780515 822847966 /nfs/dbraw/zinc/84/79/66/822847966.db2.gz WYVMCUHPOIKQEZ-HSZRJFAPSA-N 1 2 387.483 4.212 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(Cl)ccc1F ZINC000174894330 822851905 /nfs/dbraw/zinc/85/19/05/822851905.db2.gz KASUTOYQMNVNDE-UHFFFAOYSA-N 1 2 375.875 4.253 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000174896213 822852080 /nfs/dbraw/zinc/85/20/80/822852080.db2.gz HJOPURYNYAFVFY-OALUTQOASA-N 1 2 399.485 4.228 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1(c2ccccc2F)CCCC1 ZINC000053896689 822852262 /nfs/dbraw/zinc/85/22/62/822852262.db2.gz GULXPYKGEJXTSI-UHFFFAOYSA-N 1 2 377.463 4.199 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cn(CC)c2ccccc12 ZINC000174897168 822852393 /nfs/dbraw/zinc/85/23/93/822852393.db2.gz HARHFAMMLYTFSP-UHFFFAOYSA-N 1 2 390.531 4.435 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c(F)cccc1Cl ZINC000174905464 822853644 /nfs/dbraw/zinc/85/36/44/822853644.db2.gz DGMVNNUSRSHHAI-UHFFFAOYSA-N 1 2 375.875 4.253 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H](C)c1ccccc1OC ZINC000174906421 822853709 /nfs/dbraw/zinc/85/37/09/822853709.db2.gz JHTMGQPOFYCPCM-LJQANCHMSA-N 1 2 395.547 4.349 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000174906914 822853758 /nfs/dbraw/zinc/85/37/58/822853758.db2.gz GSVVZTRLXCCMBG-QZTJIDSGSA-N 1 2 399.485 4.228 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)c1ccccc1C ZINC000174911532 822854566 /nfs/dbraw/zinc/85/45/66/822854566.db2.gz JGWFEHBLUYUVGY-UHFFFAOYSA-N 1 2 379.548 4.433 20 0 GIADLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)cc1 ZINC000186201657 822860470 /nfs/dbraw/zinc/86/04/70/822860470.db2.gz ZAAQVQFQTOAMMC-CVDCTZTESA-N 1 2 394.540 4.240 20 0 GIADLO O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224087 822869102 /nfs/dbraw/zinc/86/91/02/822869102.db2.gz KDQPQDPLWRPKGG-UHFFFAOYSA-N 1 2 392.459 4.240 20 0 GIADLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)c3ccc(OCC(F)(F)F)cc3)ccn12 ZINC000569016959 822870068 /nfs/dbraw/zinc/87/00/68/822870068.db2.gz HKRINBIRTQWIAU-CYBMUJFWSA-N 1 2 377.366 4.075 20 0 GIADLO CC(C)[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)cc1 ZINC000569018452 822870296 /nfs/dbraw/zinc/87/02/96/822870296.db2.gz LGAYAQVWBKXJQB-WOJBJXKFSA-N 1 2 387.911 4.338 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C(=O)Nc1ccccc1)c1ccccc1)C2 ZINC000054391745 822881519 /nfs/dbraw/zinc/88/15/19/822881519.db2.gz ATFYKLIMOPPVRY-DEOSSOPVSA-N 1 2 399.494 4.383 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C(=O)Nc1ccccc1)c1ccccc1)C2 ZINC000054391745 822881522 /nfs/dbraw/zinc/88/15/22/822881522.db2.gz ATFYKLIMOPPVRY-DEOSSOPVSA-N 1 2 399.494 4.383 20 0 GIADLO CC(C)Oc1ncccc1-c1noc([C@@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000569155073 822885098 /nfs/dbraw/zinc/88/50/98/822885098.db2.gz YMRXJWPJJDPORM-GOSISDBHSA-N 1 2 396.516 4.057 20 0 GIADLO Brc1ccc(OCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000569163045 822886558 /nfs/dbraw/zinc/88/65/58/822886558.db2.gz YRAFZBGFPIYNGH-UHFFFAOYSA-N 1 2 397.232 4.264 20 0 GIADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000175121222 822886533 /nfs/dbraw/zinc/88/65/33/822886533.db2.gz VPXMPZABOFYAQU-CYBMUJFWSA-N 1 2 391.269 4.158 20 0 GIADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000175121222 822886537 /nfs/dbraw/zinc/88/65/37/822886537.db2.gz VPXMPZABOFYAQU-CYBMUJFWSA-N 1 2 391.269 4.158 20 0 GIADLO CC(C)c1ccc([C@@H](NC(=O)NCCc2cn(C)c[nH+]2)c2cccs2)cc1 ZINC000457536672 822887468 /nfs/dbraw/zinc/88/74/68/822887468.db2.gz VTHXJPWOXHGCQF-HXUWFJFHSA-N 1 2 382.533 4.236 20 0 GIADLO c1ccc([C@H](c2nc(-c3ccc4c(n3)CCCC4)no2)[NH+]2CCSCC2)cc1 ZINC000569170194 822887782 /nfs/dbraw/zinc/88/77/82/822887782.db2.gz GGTWZQFQAKCAOI-HXUWFJFHSA-N 1 2 392.528 4.149 20 0 GIADLO COc1sc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1Br ZINC000186428702 822893475 /nfs/dbraw/zinc/89/34/75/822893475.db2.gz WNQMRKFGVOWQRP-UHFFFAOYSA-N 1 2 389.315 4.112 20 0 GIADLO O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000569221964 822894418 /nfs/dbraw/zinc/89/44/18/822894418.db2.gz KYLMBOIWGGTPRL-AWEZNQCLSA-N 1 2 391.258 4.326 20 0 GIADLO COc1ccc(CC[N@@H+](Cc2nc([C@H](C)OC)no2)Cc2ccccc2)cc1 ZINC000175160874 822895136 /nfs/dbraw/zinc/89/51/36/822895136.db2.gz MHEBVVCZHFWTHS-KRWDZBQOSA-N 1 2 381.476 4.031 20 0 GIADLO COc1ccc(CC[N@H+](Cc2nc([C@H](C)OC)no2)Cc2ccccc2)cc1 ZINC000175160874 822895142 /nfs/dbraw/zinc/89/51/42/822895142.db2.gz MHEBVVCZHFWTHS-KRWDZBQOSA-N 1 2 381.476 4.031 20 0 GIADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000175166631 822896204 /nfs/dbraw/zinc/89/62/04/822896204.db2.gz VVUHRKUYGPKDNW-OAQYLSRUSA-N 1 2 375.472 4.126 20 0 GIADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000175166631 822896209 /nfs/dbraw/zinc/89/62/09/822896209.db2.gz VVUHRKUYGPKDNW-OAQYLSRUSA-N 1 2 375.472 4.126 20 0 GIADLO O=C(Cc1c[nH]c2cccc(Cl)c12)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569249408 822896402 /nfs/dbraw/zinc/89/64/02/822896402.db2.gz MQBHPQCYPVFFLQ-OAHLLOKOSA-N 1 2 396.922 4.303 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC000175212549 822905781 /nfs/dbraw/zinc/90/57/81/822905781.db2.gz COTGNSOXKGHULL-GASCZTMLSA-N 1 2 399.457 4.102 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC000175212549 822905784 /nfs/dbraw/zinc/90/57/84/822905784.db2.gz COTGNSOXKGHULL-GASCZTMLSA-N 1 2 399.457 4.102 20 0 GIADLO O=C(NC1CCc2ccccc2CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569315286 822906476 /nfs/dbraw/zinc/90/64/76/822906476.db2.gz QZCYWMWHFQVUJQ-FQEVSTJZSA-N 1 2 392.547 4.056 20 0 GIADLO CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175217435 822906849 /nfs/dbraw/zinc/90/68/49/822906849.db2.gz JAMDPRBZOHECKI-ACZWYYKOSA-N 1 2 391.581 4.092 20 0 GIADLO CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175217435 822906850 /nfs/dbraw/zinc/90/68/50/822906850.db2.gz JAMDPRBZOHECKI-ACZWYYKOSA-N 1 2 391.581 4.092 20 0 GIADLO Cc1cc(Br)c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000457710450 822909709 /nfs/dbraw/zinc/90/97/09/822909709.db2.gz MCNPBWZJLHWCGY-UHFFFAOYSA-N 1 2 396.354 4.348 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)NCCSCc1cccc2ccccc21 ZINC000054814109 822915327 /nfs/dbraw/zinc/91/53/27/822915327.db2.gz GMSOFVVIQCHGOR-UHFFFAOYSA-N 1 2 382.533 4.049 20 0 GIADLO Oc1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc(C(F)(F)F)c1 ZINC000569399564 822916617 /nfs/dbraw/zinc/91/66/17/822916617.db2.gz VYYQNNHBDLJKOF-CYBMUJFWSA-N 1 2 393.331 4.463 20 0 GIADLO Oc1cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc(C(F)(F)F)c1 ZINC000569399564 822916622 /nfs/dbraw/zinc/91/66/22/822916622.db2.gz VYYQNNHBDLJKOF-CYBMUJFWSA-N 1 2 393.331 4.463 20 0 GIADLO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000054839723 822917268 /nfs/dbraw/zinc/91/72/68/822917268.db2.gz JYXZFIRFECUGOC-INIZCTEOSA-N 1 2 395.532 4.376 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457778859 822918702 /nfs/dbraw/zinc/91/87/02/822918702.db2.gz TTZRMNXYTHNYGM-PWHSHALESA-N 1 2 388.515 4.408 20 0 GIADLO Cc1ccc(C)c(SCc2cccc(C(=O)NCCc3cn(C)c[nH+]3)c2)c1 ZINC000457863138 822926318 /nfs/dbraw/zinc/92/63/18/822926318.db2.gz RYJUKYXLVHLRSU-UHFFFAOYSA-N 1 2 379.529 4.302 20 0 GIADLO CC(C)c1cccc(NC(=O)C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000055031938 822932541 /nfs/dbraw/zinc/93/25/41/822932541.db2.gz OSMCVNBTIWVSOO-UHFFFAOYSA-N 1 2 394.519 4.035 20 0 GIADLO Nc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000569592163 822943008 /nfs/dbraw/zinc/94/30/08/822943008.db2.gz UKXYSXXZJILZDV-NRFANRHFSA-N 1 2 387.487 4.278 20 0 GIADLO CC(=O)N(c1nc(C[NH2+][C@@H]2CO[C@H](C)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000569603728 822943860 /nfs/dbraw/zinc/94/38/60/822943860.db2.gz AURFAWBFGBFRHB-RISCZKNCSA-N 1 2 399.438 4.114 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(Br)cc3)cn2c1 ZINC000055254706 822948187 /nfs/dbraw/zinc/94/81/87/822948187.db2.gz QGRIPTFGNJHFKB-UHFFFAOYSA-N 1 2 390.306 4.277 20 0 GIADLO O=C(NCC1(Cc2cccc(Cl)c2)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000458004824 822949618 /nfs/dbraw/zinc/94/96/18/822949618.db2.gz DYAFKXJSJXSYML-UHFFFAOYSA-N 1 2 379.891 4.338 20 0 GIADLO Fc1cccc(F)c1-c1csc(C[N@@H+]2CCCN(c3nccs3)CC2)n1 ZINC000186757652 822950486 /nfs/dbraw/zinc/95/04/86/822950486.db2.gz DCQYBQUWFZKJCU-UHFFFAOYSA-N 1 2 392.500 4.257 20 0 GIADLO Fc1cccc(F)c1-c1csc(C[N@H+]2CCCN(c3nccs3)CC2)n1 ZINC000186757652 822950490 /nfs/dbraw/zinc/95/04/90/822950490.db2.gz DCQYBQUWFZKJCU-UHFFFAOYSA-N 1 2 392.500 4.257 20 0 GIADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1COCc2ccccc21 ZINC000569676292 822954049 /nfs/dbraw/zinc/95/40/49/822954049.db2.gz CILLKVBZDCGYMZ-NRFANRHFSA-N 1 2 388.471 4.279 20 0 GIADLO COc1cc(C)c(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1F ZINC000186803470 822958068 /nfs/dbraw/zinc/95/80/68/822958068.db2.gz AQITUTFWUJWJTF-AWEZNQCLSA-N 1 2 377.485 4.115 20 0 GIADLO O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCC([NH2+]CC2CC2)CC1 ZINC000569720931 822958883 /nfs/dbraw/zinc/95/88/83/822958883.db2.gz NAAPCAKKIDRXPR-UHFFFAOYSA-N 1 2 384.907 4.317 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175409458 822961844 /nfs/dbraw/zinc/96/18/44/822961844.db2.gz BRJAWJSUSRPJPE-SOKVYYICSA-N 1 2 386.561 4.487 20 0 GIADLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175409458 822961848 /nfs/dbraw/zinc/96/18/48/822961848.db2.gz BRJAWJSUSRPJPE-SOKVYYICSA-N 1 2 386.561 4.487 20 0 GIADLO CCC[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000175415694 822963481 /nfs/dbraw/zinc/96/34/81/822963481.db2.gz HCLBSRRYPZSXIP-WNLMNSNFSA-N 1 2 386.561 4.074 20 0 GIADLO CCC[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000175415694 822963482 /nfs/dbraw/zinc/96/34/82/822963482.db2.gz HCLBSRRYPZSXIP-WNLMNSNFSA-N 1 2 386.561 4.074 20 0 GIADLO Cc1ccc(C(=O)CCCCC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000569752685 822963523 /nfs/dbraw/zinc/96/35/23/822963523.db2.gz CBCLEGLZVASROA-HSZRJFAPSA-N 1 2 392.543 4.123 20 0 GIADLO Cc1ccc(C(=O)CCCCC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000569752685 822963526 /nfs/dbraw/zinc/96/35/26/822963526.db2.gz CBCLEGLZVASROA-HSZRJFAPSA-N 1 2 392.543 4.123 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000175459364 822974260 /nfs/dbraw/zinc/97/42/60/822974260.db2.gz HBHZJOCDSYAEBV-UHFFFAOYSA-N 1 2 380.423 4.264 20 0 GIADLO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000186941484 822983999 /nfs/dbraw/zinc/98/39/99/822983999.db2.gz QUMQVRWEECMCMW-GHMZBOCLSA-N 1 2 383.261 4.412 20 0 GIADLO CCC[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCC1 ZINC000458347191 822985498 /nfs/dbraw/zinc/98/54/98/822985498.db2.gz SLASOPFVVWKFNQ-FQEVSTJZSA-N 1 2 382.508 4.001 20 0 GIADLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000186962726 822988068 /nfs/dbraw/zinc/98/80/68/822988068.db2.gz SDSDPMFJFRAQBW-WDEREUQCSA-N 1 2 380.261 4.353 20 0 GIADLO C[C@H](CC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21)n1cc[nH+]c1 ZINC000569978033 822992307 /nfs/dbraw/zinc/99/23/07/822992307.db2.gz VOUIGZGXAMZNGQ-IUODEOHRSA-N 1 2 394.338 4.292 20 0 GIADLO Cc1cc(C)c(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2C)c(C)[nH+]1 ZINC000175557772 822996895 /nfs/dbraw/zinc/99/68/95/822996895.db2.gz WFPOOROHUZBKFK-UHFFFAOYSA-N 1 2 399.450 4.368 20 0 GIADLO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000175561233 822997866 /nfs/dbraw/zinc/99/78/66/822997866.db2.gz VSLSDKGMEFMJHJ-HTAPYJJXSA-N 1 2 392.478 4.363 20 0 GIADLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187074722 823007096 /nfs/dbraw/zinc/00/70/96/823007096.db2.gz LXGSUDRSPLPOAS-QRWLVFNGSA-N 1 2 381.863 4.128 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1Cc2ccccc2C2(CC2)C1 ZINC000187104827 823011149 /nfs/dbraw/zinc/01/11/49/823011149.db2.gz XCRLNHSRFHLQBR-UHFFFAOYSA-N 1 2 388.471 4.041 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000187126348 823014475 /nfs/dbraw/zinc/01/44/75/823014475.db2.gz VTDRPWNGZXLXAF-UHFFFAOYSA-N 1 2 390.409 4.142 20 0 GIADLO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000187126348 823014478 /nfs/dbraw/zinc/01/44/78/823014478.db2.gz VTDRPWNGZXLXAF-UHFFFAOYSA-N 1 2 390.409 4.142 20 0 GIADLO O=C(C[N@H+](CCc1ccccn1)Cc1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000570232124 823017164 /nfs/dbraw/zinc/01/71/64/823017164.db2.gz RWDBREMXKGWEAT-UHFFFAOYSA-N 1 2 389.543 4.307 20 0 GIADLO O=C(C[N@@H+](CCc1ccccn1)Cc1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000570232124 823017166 /nfs/dbraw/zinc/01/71/66/823017166.db2.gz RWDBREMXKGWEAT-UHFFFAOYSA-N 1 2 389.543 4.307 20 0 GIADLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)o1 ZINC000570236162 823017594 /nfs/dbraw/zinc/01/75/94/823017594.db2.gz XXMDBPQXZSGWJC-INIZCTEOSA-N 1 2 399.539 4.204 20 0 GIADLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)o1 ZINC000570236162 823017596 /nfs/dbraw/zinc/01/75/96/823017596.db2.gz XXMDBPQXZSGWJC-INIZCTEOSA-N 1 2 399.539 4.204 20 0 GIADLO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000570349026 823027704 /nfs/dbraw/zinc/02/77/04/823027704.db2.gz HKAFSOLMLSEDSQ-QGZVFWFLSA-N 1 2 388.471 4.139 20 0 GIADLO CCc1cccc(Cc2cnc(NC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)s2)c1 ZINC000570355203 823028389 /nfs/dbraw/zinc/02/83/89/823028389.db2.gz DYWVKXKGNMLPNB-KRWDZBQOSA-N 1 2 395.532 4.051 20 0 GIADLO Cc1ccc(C[S@@](=O)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(C)[nH+]1 ZINC000187233356 823028495 /nfs/dbraw/zinc/02/84/95/823028495.db2.gz UXNNFMSJDLZAEY-UOXLDJKESA-N 1 2 399.343 4.131 20 0 GIADLO Cc1ccc(C[S@](=O)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(C)[nH+]1 ZINC000187234368 823028670 /nfs/dbraw/zinc/02/86/70/823028670.db2.gz NPELKSXULBJSHM-CANCMXDXSA-N 1 2 399.343 4.131 20 0 GIADLO CC[C@H](C)c1ccc(NC(=O)Cc2noc([C@@H](c3ccccc3)[NH+](C)C)n2)cc1 ZINC000570364629 823029245 /nfs/dbraw/zinc/02/92/45/823029245.db2.gz SYYAOONTJVSADF-KSFYIVLOSA-N 1 2 392.503 4.415 20 0 GIADLO CC[C@@H](C)c1ccc(NC(=O)Cc2noc([C@@H](c3ccccc3)[NH+](C)C)n2)cc1 ZINC000570364630 823029251 /nfs/dbraw/zinc/02/92/51/823029251.db2.gz SYYAOONTJVSADF-OPAMFIHVSA-N 1 2 392.503 4.415 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000570369669 823030126 /nfs/dbraw/zinc/03/01/26/823030126.db2.gz GSQIUOIPUZUFFB-HSZRJFAPSA-N 1 2 387.527 4.488 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000570372152 823030716 /nfs/dbraw/zinc/03/07/16/823030716.db2.gz XUKBPEVDICPOIT-QFBILLFUSA-N 1 2 398.869 4.079 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCCc3c(O)cccc32)C[C@H](C)O1 ZINC000190145282 823542749 /nfs/dbraw/zinc/54/27/49/823542749.db2.gz DTGKFXQVFKXOGM-LLGFUMIMSA-N 1 2 394.515 4.060 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCCc3c(O)cccc32)C[C@H](C)O1 ZINC000190145282 823542755 /nfs/dbraw/zinc/54/27/55/823542755.db2.gz DTGKFXQVFKXOGM-LLGFUMIMSA-N 1 2 394.515 4.060 20 0 GIADLO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(c3cccc(F)n3)CC2)cc1 ZINC000060569674 823543337 /nfs/dbraw/zinc/54/33/37/823543337.db2.gz SQHPCJLMVVPICZ-UHFFFAOYSA-N 1 2 383.417 4.411 20 0 GIADLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Cl)cc1F ZINC000190152540 823543684 /nfs/dbraw/zinc/54/36/84/823543684.db2.gz MQJZFQDWFHWYGC-UHFFFAOYSA-N 1 2 375.875 4.068 20 0 GIADLO Cc1cc(CNC(=O)NCCCCn2cc[nH+]c2)ccc1Oc1ccc(F)cc1 ZINC000060575130 823543824 /nfs/dbraw/zinc/54/38/24/823543824.db2.gz FGBLZYQHFPNUQS-UHFFFAOYSA-N 1 2 396.466 4.403 20 0 GIADLO O=C(NN=C(c1ccccc1)c1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060603866 823547198 /nfs/dbraw/zinc/54/71/98/823547198.db2.gz JJUVUPXZLXJOCV-UHFFFAOYSA-N 1 2 380.451 4.114 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(C3SCCCS3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000123874686 823548218 /nfs/dbraw/zinc/54/82/18/823548218.db2.gz MNXSUPPOLYYJLP-CRAIPNDOSA-N 1 2 387.574 4.475 20 0 GIADLO C[N@@H+]1CC[C@H](NC(=O)N2CC3(CCC3)[C@H]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000460958791 823550826 /nfs/dbraw/zinc/55/08/26/823550826.db2.gz IPFDGWIGRSAVLV-IPMKNSEASA-N 1 2 391.918 4.198 20 0 GIADLO C[N@H+]1CC[C@H](NC(=O)N2CC3(CCC3)[C@H]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000460958791 823550829 /nfs/dbraw/zinc/55/08/29/823550829.db2.gz IPFDGWIGRSAVLV-IPMKNSEASA-N 1 2 391.918 4.198 20 0 GIADLO O=C(CCCCc1nc2ccccc2s1)N1CC[NH+](Cc2cccs2)CC1 ZINC000060677343 823552112 /nfs/dbraw/zinc/55/21/12/823552112.db2.gz MWZWEVRAVMBWNO-UHFFFAOYSA-N 1 2 399.585 4.415 20 0 GIADLO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cn2nc(-c3ccccc3F)ccc2=O)c1 ZINC000124048889 823562965 /nfs/dbraw/zinc/56/29/65/823562965.db2.gz DFBPKTOJLBJMEG-QFIPXVFZSA-N 1 2 377.463 4.461 20 0 GIADLO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cn2nc(-c3ccccc3F)ccc2=O)c1 ZINC000124048889 823562966 /nfs/dbraw/zinc/56/29/66/823562966.db2.gz DFBPKTOJLBJMEG-QFIPXVFZSA-N 1 2 377.463 4.461 20 0 GIADLO CCO[C@@H](C)c1nc(CN2CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)cs1 ZINC000411302690 823563441 /nfs/dbraw/zinc/56/34/41/823563441.db2.gz ZGNUWMZVTYOCRA-YSSFQJQWSA-N 1 2 389.540 4.053 20 0 GIADLO Fc1c(F)c(CN2CCC(n3cc[nH+]c3)CC2)c(F)c(F)c1Br ZINC000411306025 823563820 /nfs/dbraw/zinc/56/38/20/823563820.db2.gz FADYTAFIJVPVMC-UHFFFAOYSA-N 1 2 392.194 4.039 20 0 GIADLO CSc1ccccc1NC(=O)CC[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000411358287 823566350 /nfs/dbraw/zinc/56/63/50/823566350.db2.gz WJUGOYVCHBVCFA-UHFFFAOYSA-N 1 2 388.537 4.268 20 0 GIADLO CCC(CC)[C@@H](C(=O)Nc1cccc(N2CCCCCC2)c1)[NH+]1CCOCC1 ZINC000461064514 823568526 /nfs/dbraw/zinc/56/85/26/823568526.db2.gz XMSFYSIWDLNFTL-QFIPXVFZSA-N 1 2 387.568 4.143 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccccc1OC(F)(F)F ZINC000190434442 823573387 /nfs/dbraw/zinc/57/33/87/823573387.db2.gz LCVOMRRJVXSTHL-UHFFFAOYSA-N 1 2 384.402 4.288 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000411430989 823573394 /nfs/dbraw/zinc/57/33/94/823573394.db2.gz SJIAKNOCBAYXHD-GDBMZVCRSA-N 1 2 387.911 4.249 20 0 GIADLO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000411432788 823573609 /nfs/dbraw/zinc/57/36/09/823573609.db2.gz VJBCETKIXBMMFY-VQTJNVASSA-N 1 2 379.504 4.048 20 0 GIADLO CCOC(=O)[C@@H]1CC[C@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H]1C ZINC000461089526 823574746 /nfs/dbraw/zinc/57/47/46/823574746.db2.gz XGUATKWRFUCSOM-NZSAHSFTSA-N 1 2 379.504 4.382 20 0 GIADLO CCCCOc1ccc([C@@H](C)[NH2+]Cc2nc(N)c3ccccc3n2)cc1OC ZINC000411445408 823575013 /nfs/dbraw/zinc/57/50/13/823575013.db2.gz AAPOYWILEUVHTA-OAHLLOKOSA-N 1 2 380.492 4.081 20 0 GIADLO COc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)c(OCc2ccccc2)c1 ZINC000190477666 823579393 /nfs/dbraw/zinc/57/93/93/823579393.db2.gz OYVNJJOVVRXCOS-UHFFFAOYSA-N 1 2 394.475 4.025 20 0 GIADLO CC(C)[C@@H]([NH2+]CCC(=O)Nc1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC000411484884 823580385 /nfs/dbraw/zinc/58/03/85/823580385.db2.gz ZKRLNKDMNWXUIC-OAHLLOKOSA-N 1 2 389.323 4.278 20 0 GIADLO Fc1ccc(OC2CC[NH+](Cc3csc(Cc4ccccc4)n3)CC2)cn1 ZINC000190491924 823580585 /nfs/dbraw/zinc/58/05/85/823580585.db2.gz YOBNZCOXCPOVNA-UHFFFAOYSA-N 1 2 383.492 4.311 20 0 GIADLO CCc1cnccc1[C@H](C)[NH2+]Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000411507632 823582173 /nfs/dbraw/zinc/58/21/73/823582173.db2.gz SEPCENNTWIRYJI-INIZCTEOSA-N 1 2 394.544 4.441 20 0 GIADLO CCc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)c3ccccc3)n2)cc1 ZINC000411540127 823586529 /nfs/dbraw/zinc/58/65/29/823586529.db2.gz WNHVVILXENEUPM-HZPDHXFCSA-N 1 2 378.476 4.001 20 0 GIADLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000411544458 823586916 /nfs/dbraw/zinc/58/69/16/823586916.db2.gz OEFWXTDGCAMBCH-LBPRGKRZSA-N 1 2 398.580 4.263 20 0 GIADLO O=C(NCCc1cccs1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000061285022 823589336 /nfs/dbraw/zinc/58/93/36/823589336.db2.gz WLFYCNHHROJAMM-QGZVFWFLSA-N 1 2 395.931 4.219 20 0 GIADLO O[C@H]([C@@H]1CCC[N@H+](Cc2cccc(Br)c2Cl)C1)C(F)(F)F ZINC000411634597 823592909 /nfs/dbraw/zinc/59/29/09/823592909.db2.gz LUFOYFUECOQDJK-ZWNOBZJWSA-N 1 2 386.639 4.238 20 0 GIADLO O[C@H]([C@@H]1CCC[N@@H+](Cc2cccc(Br)c2Cl)C1)C(F)(F)F ZINC000411634597 823592914 /nfs/dbraw/zinc/59/29/14/823592914.db2.gz LUFOYFUECOQDJK-ZWNOBZJWSA-N 1 2 386.639 4.238 20 0 GIADLO O=C(c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)N1CCn2c[nH+]cc2C1 ZINC000461204249 823598084 /nfs/dbraw/zinc/59/80/84/823598084.db2.gz YCMAKMIZPCBPBC-UHFFFAOYSA-N 1 2 389.242 4.033 20 0 GIADLO Cc1cc(OCCCC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000124470083 823599385 /nfs/dbraw/zinc/59/93/85/823599385.db2.gz NUILHNVYSBPXBK-BEFAXECRSA-N 1 2 375.900 4.114 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc3cc(Br)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000124491782 823601067 /nfs/dbraw/zinc/60/10/67/823601067.db2.gz MGAHLLZXUVGYRQ-DOMZBBRYSA-N 1 2 388.265 4.115 20 0 GIADLO CS(=O)(=O)CC1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411755210 823602653 /nfs/dbraw/zinc/60/26/53/823602653.db2.gz GSHFSSFXLOQYIO-HXUWFJFHSA-N 1 2 377.937 4.186 20 0 GIADLO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000190737494 823603500 /nfs/dbraw/zinc/60/35/00/823603500.db2.gz JHAINBZTKZDZKC-HZPDHXFCSA-N 1 2 386.496 4.095 20 0 GIADLO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000190737494 823603502 /nfs/dbraw/zinc/60/35/02/823603502.db2.gz JHAINBZTKZDZKC-HZPDHXFCSA-N 1 2 386.496 4.095 20 0 GIADLO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000461265867 823608845 /nfs/dbraw/zinc/60/88/45/823608845.db2.gz PBYKCPXTVLOLKV-WBVHZDCISA-N 1 2 393.453 4.238 20 0 GIADLO CCCn1c(=S)n(C[N@H+](C)CC2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000124679118 823616652 /nfs/dbraw/zinc/61/66/52/823616652.db2.gz YOGBNGUOURMGQT-UHFFFAOYSA-N 1 2 394.972 4.460 20 0 GIADLO CCCn1c(=S)n(C[N@@H+](C)CC2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000124679118 823616655 /nfs/dbraw/zinc/61/66/55/823616655.db2.gz YOGBNGUOURMGQT-UHFFFAOYSA-N 1 2 394.972 4.460 20 0 GIADLO O=C1C[C@@]2(CC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)Oc2ccccc21 ZINC000411992146 823618883 /nfs/dbraw/zinc/61/88/83/823618883.db2.gz UZLJBVVCPVKLJC-JOCHJYFZSA-N 1 2 376.481 4.420 20 0 GIADLO O=C1C[C@@]2(CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)Oc2ccccc21 ZINC000411992146 823618885 /nfs/dbraw/zinc/61/88/85/823618885.db2.gz UZLJBVVCPVKLJC-JOCHJYFZSA-N 1 2 376.481 4.420 20 0 GIADLO O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000124712446 823619972 /nfs/dbraw/zinc/61/99/72/823619972.db2.gz QPFMLRCNDIJMCI-IRXDYDNUSA-N 1 2 394.462 4.215 20 0 GIADLO CCOC(=O)c1csc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)n1 ZINC000412013142 823622655 /nfs/dbraw/zinc/62/26/55/823622655.db2.gz ZZNSMHFTYVUOQP-LJQANCHMSA-N 1 2 388.533 4.094 20 0 GIADLO C[C@@H](c1cccc(NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)c1)[NH+]1CCOCC1 ZINC000412021826 823623335 /nfs/dbraw/zinc/62/33/35/823623335.db2.gz POOBPNKGNWHHHZ-LAUBAEHRSA-N 1 2 394.515 4.363 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cs1)c1ccc(C)cc1C ZINC000412067662 823625512 /nfs/dbraw/zinc/62/55/12/823625512.db2.gz DWPLPKDTZFILNF-AEFFLSMTSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cs1)c1ccc(C)cc1C ZINC000412067662 823625514 /nfs/dbraw/zinc/62/55/14/823625514.db2.gz DWPLPKDTZFILNF-AEFFLSMTSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cs1)c1cccc(Cl)c1 ZINC000412070904 823625580 /nfs/dbraw/zinc/62/55/80/823625580.db2.gz GNXCAKNUWXQWGL-HIFRSBDPSA-N 1 2 393.940 4.074 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cs1)c1cccc(Cl)c1 ZINC000412070904 823625584 /nfs/dbraw/zinc/62/55/84/823625584.db2.gz GNXCAKNUWXQWGL-HIFRSBDPSA-N 1 2 393.940 4.074 20 0 GIADLO CCCCCOc1cc(C)ccc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000124802972 823627460 /nfs/dbraw/zinc/62/74/60/823627460.db2.gz JBQPWTLXDGCMFJ-UHFFFAOYSA-N 1 2 384.524 4.307 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000124850014 823631039 /nfs/dbraw/zinc/63/10/39/823631039.db2.gz KQOPHPQZSBYARR-UHFFFAOYSA-N 1 2 383.502 4.118 20 0 GIADLO C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000412190987 823634187 /nfs/dbraw/zinc/63/41/87/823634187.db2.gz XSFWPEDFMKGFSP-DAYGRLMNSA-N 1 2 395.425 4.070 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC1 ZINC000412269874 823641947 /nfs/dbraw/zinc/64/19/47/823641947.db2.gz MBPURJXDGMXNNM-HRAATJIYSA-N 1 2 384.545 4.243 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CCCc4sccc43)CC2)cc1 ZINC000125003807 823644153 /nfs/dbraw/zinc/64/41/53/823644153.db2.gz ZUDIKYFQGQNVFD-FQEVSTJZSA-N 1 2 383.561 4.019 20 0 GIADLO CC1(C)CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[C@H]1C(F)(F)F ZINC000191092145 823647799 /nfs/dbraw/zinc/64/77/99/823647799.db2.gz DDFDPVMCQARFPT-QGZVFWFLSA-N 1 2 394.441 4.051 20 0 GIADLO Cc1sc2[nH]c(C[NH+]3[C@@H](C)CC(O)C[C@@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000191145521 823653529 /nfs/dbraw/zinc/65/35/29/823653529.db2.gz QGTRIWBHKMKKOV-KBPBESRZSA-N 1 2 397.544 4.002 20 0 GIADLO O=C(CCc1ccc(Br)cc1F)Nc1ccccc1-n1cc[nH+]c1 ZINC000063241939 823656399 /nfs/dbraw/zinc/65/63/99/823656399.db2.gz UNWIVCHVTYNACX-UHFFFAOYSA-N 1 2 388.240 4.345 20 0 GIADLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000063297842 823660817 /nfs/dbraw/zinc/66/08/17/823660817.db2.gz SAYWRDCGCJTDHZ-UHFFFAOYSA-N 1 2 394.427 4.157 20 0 GIADLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000063297842 823660819 /nfs/dbraw/zinc/66/08/19/823660819.db2.gz SAYWRDCGCJTDHZ-UHFFFAOYSA-N 1 2 394.427 4.157 20 0 GIADLO C[C@H](c1nnc(SC[C@@H](O)CC2CCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000191240321 823662358 /nfs/dbraw/zinc/66/23/58/823662358.db2.gz LOSMABIRZDCGSI-KDOFPFPSSA-N 1 2 392.544 4.062 20 0 GIADLO Cc1cccc2c(CC(=O)Nc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c[nH]c21 ZINC000125281228 823664570 /nfs/dbraw/zinc/66/45/70/823664570.db2.gz SOAZXHLRNRGDET-HDICACEKSA-N 1 2 391.515 4.267 20 0 GIADLO Cc1cccc2c(CC(=O)Nc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c[nH]c21 ZINC000125281228 823664572 /nfs/dbraw/zinc/66/45/72/823664572.db2.gz SOAZXHLRNRGDET-HDICACEKSA-N 1 2 391.515 4.267 20 0 GIADLO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000191279372 823666786 /nfs/dbraw/zinc/66/67/86/823666786.db2.gz XTLQOTHFAAJKDY-ABAIWWIYSA-N 1 2 383.279 4.314 20 0 GIADLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191321323 823671490 /nfs/dbraw/zinc/67/14/90/823671490.db2.gz ZMFURFBRUOYCSN-SNVBAGLBSA-N 1 2 392.397 4.108 20 0 GIADLO C[C@H](c1ccc(F)cc1F)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191321323 823671492 /nfs/dbraw/zinc/67/14/92/823671492.db2.gz ZMFURFBRUOYCSN-SNVBAGLBSA-N 1 2 392.397 4.108 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](c3ccccc3)C3(CCC3)C1)C2 ZINC000412684004 823674781 /nfs/dbraw/zinc/67/47/81/823674781.db2.gz XSPGNHUTXPNNIF-MOPGFXCFSA-N 1 2 377.532 4.434 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](c3ccccc3)C3(CCC3)C1)CC2 ZINC000412684004 823674783 /nfs/dbraw/zinc/67/47/83/823674783.db2.gz XSPGNHUTXPNNIF-MOPGFXCFSA-N 1 2 377.532 4.434 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1C(=O)c1cccs1 ZINC000063485790 823675541 /nfs/dbraw/zinc/67/55/41/823675541.db2.gz OMFNSZWZDQZGTR-UHFFFAOYSA-N 1 2 387.464 4.095 20 0 GIADLO Cc1ccc(CNC(=O)c2nnc(C[N@H+](C3CC3)C3CCCCC3)s2)cc1 ZINC000063497955 823676274 /nfs/dbraw/zinc/67/62/74/823676274.db2.gz BEOBHOVSHAOSJA-UHFFFAOYSA-N 1 2 384.549 4.074 20 0 GIADLO Cc1ccc(CNC(=O)c2nnc(C[N@@H+](C3CC3)C3CCCCC3)s2)cc1 ZINC000063497955 823676275 /nfs/dbraw/zinc/67/62/75/823676275.db2.gz BEOBHOVSHAOSJA-UHFFFAOYSA-N 1 2 384.549 4.074 20 0 GIADLO Cc1nc(-c2ccc(NC(=O)[C@@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cs1 ZINC000063501131 823676609 /nfs/dbraw/zinc/67/66/09/823676609.db2.gz FNHSNXWGLNWNSM-QEEYODRMSA-N 1 2 387.549 4.191 20 0 GIADLO Cc1nc(-c2ccc(NC(=O)[C@@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cs1 ZINC000063501131 823676611 /nfs/dbraw/zinc/67/66/11/823676611.db2.gz FNHSNXWGLNWNSM-QEEYODRMSA-N 1 2 387.549 4.191 20 0 GIADLO CCc1nc(C[N@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)cs1 ZINC000063593848 823681862 /nfs/dbraw/zinc/68/18/62/823681862.db2.gz CRIMPJZRZSQAPA-HXUWFJFHSA-N 1 2 382.529 4.244 20 0 GIADLO CCc1nc(C[N@@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)cs1 ZINC000063593848 823681863 /nfs/dbraw/zinc/68/18/63/823681863.db2.gz CRIMPJZRZSQAPA-HXUWFJFHSA-N 1 2 382.529 4.244 20 0 GIADLO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)Nc4ccccc4F)CC3)c2c1 ZINC000125517067 823682195 /nfs/dbraw/zinc/68/21/95/823682195.db2.gz VRMDERGTZVIOFA-UHFFFAOYSA-N 1 2 379.435 4.043 20 0 GIADLO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)Nc4ccccc4F)CC3)c2c1 ZINC000125517067 823682198 /nfs/dbraw/zinc/68/21/98/823682198.db2.gz VRMDERGTZVIOFA-UHFFFAOYSA-N 1 2 379.435 4.043 20 0 GIADLO C[N@H+](Cc1nc(C(C)(C)C)cs1)[C@@H](CO)c1cccc(Br)c1 ZINC000125556680 823684980 /nfs/dbraw/zinc/68/49/80/823684980.db2.gz AZBHRJJYCXNXCV-AWEZNQCLSA-N 1 2 383.355 4.369 20 0 GIADLO C[N@@H+](Cc1nc(C(C)(C)C)cs1)[C@@H](CO)c1cccc(Br)c1 ZINC000125556680 823684981 /nfs/dbraw/zinc/68/49/81/823684981.db2.gz AZBHRJJYCXNXCV-AWEZNQCLSA-N 1 2 383.355 4.369 20 0 GIADLO C[C@@H]([NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)c1nc(-c2cccc(F)c2)no1 ZINC000191529634 823695986 /nfs/dbraw/zinc/69/59/86/823695986.db2.gz ANCFVECXEBQLFH-LLVKDONJSA-N 1 2 399.376 4.395 20 0 GIADLO CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000461792780 823696054 /nfs/dbraw/zinc/69/60/54/823696054.db2.gz ZEHOACBOOVKMOV-NRFANRHFSA-N 1 2 397.906 4.305 20 0 GIADLO CCOC1CC(Sc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)C1 ZINC000412981762 823696886 /nfs/dbraw/zinc/69/68/86/823696886.db2.gz GUOFQPMXLWGTLL-IPJUCJBFSA-N 1 2 386.565 4.474 20 0 GIADLO C[C@H](c1nnc(SCCC2(O)CCC2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000412982112 823697058 /nfs/dbraw/zinc/69/70/58/823697058.db2.gz IBPWPBJQUKZZCL-QGZVFWFLSA-N 1 2 386.565 4.211 20 0 GIADLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nnc(-c2ccc(F)cc2)n1C ZINC000191541402 823697770 /nfs/dbraw/zinc/69/77/70/823697770.db2.gz HKVIGDDRGQMZFP-UHFFFAOYSA-N 1 2 379.464 4.408 20 0 GIADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCCc3ccccc3)CC2)c(F)c1 ZINC000125707902 823698653 /nfs/dbraw/zinc/69/86/53/823698653.db2.gz MVGOZUZPNGDMGD-SFHVURJKSA-N 1 2 384.495 4.185 20 0 GIADLO CC[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cc(F)ccc1F ZINC000125713984 823699430 /nfs/dbraw/zinc/69/94/30/823699430.db2.gz CMGLTJANVMDVEC-HXUWFJFHSA-N 1 2 398.457 4.203 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3c(F)cccc3Cl)CC2)n1 ZINC000191565572 823700888 /nfs/dbraw/zinc/70/08/88/823700888.db2.gz PSOPHYWOJPTPLN-UHFFFAOYSA-N 1 2 382.888 4.492 20 0 GIADLO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000191568112 823701243 /nfs/dbraw/zinc/70/12/43/823701243.db2.gz SOAORTXJZJQJMT-KBPBESRZSA-N 1 2 392.931 4.108 20 0 GIADLO O=C(Nc1ccccc1CCC(F)(F)F)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000163397759 823706049 /nfs/dbraw/zinc/70/60/49/823706049.db2.gz MCYBMYBDYJCOKO-MRXNPFEDSA-N 1 2 392.425 4.367 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(OC4CCCCC4)cc3)[nH+]cn2)C1 ZINC000413097218 823706410 /nfs/dbraw/zinc/70/64/10/823706410.db2.gz BFUAQDGAQIWNFH-MJGOQNOKSA-N 1 2 396.535 4.007 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(OC4CCCCC4)cc3)nc[nH+]2)C1 ZINC000413097218 823706414 /nfs/dbraw/zinc/70/64/14/823706414.db2.gz BFUAQDGAQIWNFH-MJGOQNOKSA-N 1 2 396.535 4.007 20 0 GIADLO O=C(Nc1ccccc1CCC(F)(F)F)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000163397894 823706521 /nfs/dbraw/zinc/70/65/21/823706521.db2.gz MCYBMYBDYJCOKO-INIZCTEOSA-N 1 2 392.425 4.367 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000125778253 823708328 /nfs/dbraw/zinc/70/83/28/823708328.db2.gz XFFMEFLLLLUUPV-QFBILLFUSA-N 1 2 398.869 4.079 20 0 GIADLO C[C@@H]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000125819297 823718818 /nfs/dbraw/zinc/71/88/18/823718818.db2.gz UWRMQICXLILLKL-QAPCUYQASA-N 1 2 398.894 4.234 20 0 GIADLO CCCc1ccc(-c2cc(NCc3c[nH+]c4ccc(C)cn34)n(CCO)n2)cc1 ZINC000574423896 823725749 /nfs/dbraw/zinc/72/57/49/823725749.db2.gz XPOKPMHJAPXJMX-UHFFFAOYSA-N 1 2 389.503 4.063 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(Br)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000125862944 823731820 /nfs/dbraw/zinc/73/18/20/823731820.db2.gz PDISVSKLRSQFOP-IAQYHMDHSA-N 1 2 382.689 4.022 20 0 GIADLO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000125879221 823734983 /nfs/dbraw/zinc/73/49/83/823734983.db2.gz IGBMGLIMBUYUSG-KXBFYZLASA-N 1 2 390.915 4.003 20 0 GIADLO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000125879602 823735322 /nfs/dbraw/zinc/73/53/22/823735322.db2.gz IGBMGLIMBUYUSG-HNAYVOBHSA-N 1 2 390.915 4.003 20 0 GIADLO Cc1nc(CCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)sc1C ZINC000574467844 823738154 /nfs/dbraw/zinc/73/81/54/823738154.db2.gz HHEBTLUTOUVDRV-UHFFFAOYSA-N 1 2 395.532 4.324 20 0 GIADLO Cc1cc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)ccc1-c1ccccc1 ZINC000413253527 823739044 /nfs/dbraw/zinc/73/90/44/823739044.db2.gz VDIUGYSQDVFBSQ-WIYYLYMNSA-N 1 2 388.515 4.271 20 0 GIADLO Cc1cc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)ccc1-c1ccccc1 ZINC000413253527 823739049 /nfs/dbraw/zinc/73/90/49/823739049.db2.gz VDIUGYSQDVFBSQ-WIYYLYMNSA-N 1 2 388.515 4.271 20 0 GIADLO Cc1cc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)ccc1-c1ccccc1 ZINC000413253526 823739305 /nfs/dbraw/zinc/73/93/05/823739305.db2.gz VDIUGYSQDVFBSQ-RXVVDRJESA-N 1 2 388.515 4.271 20 0 GIADLO Cc1cc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)ccc1-c1ccccc1 ZINC000413253526 823739312 /nfs/dbraw/zinc/73/93/12/823739312.db2.gz VDIUGYSQDVFBSQ-RXVVDRJESA-N 1 2 388.515 4.271 20 0 GIADLO CCCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000125921609 823744635 /nfs/dbraw/zinc/74/46/35/823744635.db2.gz WBOPIWHPKMPKBY-INIZCTEOSA-N 1 2 391.533 4.081 20 0 GIADLO CCCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000125921609 823744639 /nfs/dbraw/zinc/74/46/39/823744639.db2.gz WBOPIWHPKMPKBY-INIZCTEOSA-N 1 2 391.533 4.081 20 0 GIADLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccc(OC(F)F)cc3)CC2)c(C)o1 ZINC000064142701 823754178 /nfs/dbraw/zinc/75/41/78/823754178.db2.gz YDRRBRRZMGGVSH-CQSZACIVSA-N 1 2 378.419 4.017 20 0 GIADLO O=C(COc1c(Cl)cccc1Cl)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000574527639 823755836 /nfs/dbraw/zinc/75/58/36/823755836.db2.gz OSJUWLBIGRBGBI-HDJSIYSDSA-N 1 2 394.302 4.307 20 0 GIADLO CCCOc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000163900002 823758529 /nfs/dbraw/zinc/75/85/29/823758529.db2.gz MNTOKACMPOCWRR-HNNXBMFYSA-N 1 2 390.915 4.349 20 0 GIADLO Cc1cccc([C@@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000126022378 823768340 /nfs/dbraw/zinc/76/83/40/823768340.db2.gz DPJYDOXMOFIGDP-NRFANRHFSA-N 1 2 378.520 4.427 20 0 GIADLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)c2C1 ZINC000191788060 823768431 /nfs/dbraw/zinc/76/84/31/823768431.db2.gz JBKAALFVTOHPLV-UHFFFAOYSA-N 1 2 398.450 4.316 20 0 GIADLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)c2C1 ZINC000191788060 823768438 /nfs/dbraw/zinc/76/84/38/823768438.db2.gz JBKAALFVTOHPLV-UHFFFAOYSA-N 1 2 398.450 4.316 20 0 GIADLO C[C@H](CC(F)F)C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000413409552 823771431 /nfs/dbraw/zinc/77/14/31/823771431.db2.gz BMISUNYCMYRTJC-CYBMUJFWSA-N 1 2 387.833 4.386 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccccc1OC1CCC1 ZINC000126051222 823775410 /nfs/dbraw/zinc/77/54/10/823775410.db2.gz QYYQTMDOFCHLBP-UHFFFAOYSA-N 1 2 380.488 4.011 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCSCC[C@@H]2C)cs1)c1ccc(C)cc1 ZINC000191819788 823781280 /nfs/dbraw/zinc/78/12/80/823781280.db2.gz YZWHTDVOHVDDTE-HNNXBMFYSA-N 1 2 375.563 4.464 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCSCC[C@@H]2C)cs1)c1ccc(C)cc1 ZINC000191819788 823781291 /nfs/dbraw/zinc/78/12/91/823781291.db2.gz YZWHTDVOHVDDTE-HNNXBMFYSA-N 1 2 375.563 4.464 20 0 GIADLO Cc1oncc1CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000126087972 823783834 /nfs/dbraw/zinc/78/38/34/823783834.db2.gz CAEHNJOCSUDSKK-LLVKDONJSA-N 1 2 377.901 4.132 20 0 GIADLO COCCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[C@H]1C ZINC000574642198 823787971 /nfs/dbraw/zinc/78/79/71/823787971.db2.gz JOBQHDXESXKROM-DYESRHJHSA-N 1 2 394.519 4.271 20 0 GIADLO CCCC[C@@](C)(NC(=O)NCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000461997506 823788725 /nfs/dbraw/zinc/78/87/25/823788725.db2.gz YYBHONUEPRYLSP-GOSISDBHSA-N 1 2 393.329 4.087 20 0 GIADLO Clc1cc(Br)ccc1[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)C1CC1 ZINC000574643764 823788854 /nfs/dbraw/zinc/78/88/54/823788854.db2.gz MTEHDWXKFLBHDU-HNNXBMFYSA-N 1 2 381.705 4.339 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccccc1-n1nc(C)cc1C ZINC000191844412 823794292 /nfs/dbraw/zinc/79/42/92/823794292.db2.gz PMTRULFKUFHBDS-UHFFFAOYSA-N 1 2 394.523 4.192 20 0 GIADLO CC(C)(C[NH2+][C@H](c1nnc[nH]1)c1ccccc1)c1ccc(Br)cc1 ZINC000574672343 823796334 /nfs/dbraw/zinc/79/63/34/823796334.db2.gz YASUMIWCIPBWNY-KRWDZBQOSA-N 1 2 385.309 4.224 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)c(OC)c1 ZINC000164439202 823802707 /nfs/dbraw/zinc/80/27/07/823802707.db2.gz VVMRWCTZCIEPOL-LLVKDONJSA-N 1 2 385.382 4.304 20 0 GIADLO COc1cccc(Cl)c1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000462033071 823804061 /nfs/dbraw/zinc/80/40/61/823804061.db2.gz RCNVKZBVXSORMS-UHFFFAOYSA-N 1 2 393.314 4.350 20 0 GIADLO COc1cccc(Cl)c1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000462033071 823804071 /nfs/dbraw/zinc/80/40/71/823804071.db2.gz RCNVKZBVXSORMS-UHFFFAOYSA-N 1 2 393.314 4.350 20 0 GIADLO Cc1cccn2cc(CCNC(=O)CCCCCO[C@@H]3CCC[C@@H](C)C3)[nH+]c12 ZINC000164480554 823804149 /nfs/dbraw/zinc/80/41/49/823804149.db2.gz CFOPBWCKEHUIAV-WIYYLYMNSA-N 1 2 385.552 4.457 20 0 GIADLO Cc1cccn2cc(CCNC(=O)CCCCCO[C@H]3CCC[C@H](C)C3)[nH+]c12 ZINC000164480428 823804517 /nfs/dbraw/zinc/80/45/17/823804517.db2.gz CFOPBWCKEHUIAV-RXVVDRJESA-N 1 2 385.552 4.457 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1c(C)noc1-c1ccccc1 ZINC000191933841 823815484 /nfs/dbraw/zinc/81/54/84/823815484.db2.gz UPMNPUAOSRQJIP-UHFFFAOYSA-N 1 2 381.480 4.353 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000126235169 823817449 /nfs/dbraw/zinc/81/74/49/823817449.db2.gz AEKAVEOEEAONCZ-UHFFFAOYSA-N 1 2 384.863 4.479 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000064440652 823819423 /nfs/dbraw/zinc/81/94/23/823819423.db2.gz SILOLODXUFFQFE-INIZCTEOSA-N 1 2 386.496 4.299 20 0 GIADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2Cc2ccc(-n3ccnc3)cc2C)o1 ZINC000191953553 823822792 /nfs/dbraw/zinc/82/27/92/823822792.db2.gz RAOMGWJOZWDCFT-QFIPXVFZSA-N 1 2 385.471 4.172 20 0 GIADLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2Cc2ccc(-n3ccnc3)cc2C)o1 ZINC000191953553 823822801 /nfs/dbraw/zinc/82/28/01/823822801.db2.gz RAOMGWJOZWDCFT-QFIPXVFZSA-N 1 2 385.471 4.172 20 0 GIADLO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000164857032 823823265 /nfs/dbraw/zinc/82/32/65/823823265.db2.gz WOVGIBCRGLSTKP-QGZVFWFLSA-N 1 2 389.565 4.106 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Cl)c2cccnc12 ZINC000126269744 823824985 /nfs/dbraw/zinc/82/49/85/823824985.db2.gz JNOUPJWPQNIMTG-UHFFFAOYSA-N 1 2 395.890 4.281 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)c2)oc1C ZINC000164953866 823826841 /nfs/dbraw/zinc/82/68/41/823826841.db2.gz VHRLPYJDAUGPFQ-QGZVFWFLSA-N 1 2 393.491 4.179 20 0 GIADLO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192036599 823839340 /nfs/dbraw/zinc/83/93/40/823839340.db2.gz KXCWIQWXWJOTBW-QANKJYHBSA-N 1 2 379.888 4.076 20 0 GIADLO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000413777152 823839670 /nfs/dbraw/zinc/83/96/70/823839670.db2.gz DTYLLZFHPCONFP-WJMWBRGCSA-N 1 2 380.536 4.282 20 0 GIADLO COc1cc(C[N@H+](C)Cc2ccn(-c3cccc(F)c3)n2)ccc1OC(F)F ZINC000064555154 823843554 /nfs/dbraw/zinc/84/35/54/823843554.db2.gz NNWDEMPGJGZIGA-UHFFFAOYSA-N 1 2 391.393 4.253 20 0 GIADLO COc1cc(C[N@@H+](C)Cc2ccn(-c3cccc(F)c3)n2)ccc1OC(F)F ZINC000064555154 823843560 /nfs/dbraw/zinc/84/35/60/823843560.db2.gz NNWDEMPGJGZIGA-UHFFFAOYSA-N 1 2 391.393 4.253 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000192049861 823844441 /nfs/dbraw/zinc/84/44/41/823844441.db2.gz DVBPMHNSMOMXOR-RXVVDRJESA-N 1 2 383.879 4.242 20 0 GIADLO COc1ccc([C@H]([NH2+]CC(=O)N[C@H](C)C(C)C)c2ccccc2Cl)c(C)c1 ZINC000462169824 823851801 /nfs/dbraw/zinc/85/18/01/823851801.db2.gz IKLUZSXXAFNJSA-ZHRRBRCNSA-N 1 2 388.939 4.497 20 0 GIADLO CCCCNC(=O)C[NH2+][C@@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000462179416 823856499 /nfs/dbraw/zinc/85/64/99/823856499.db2.gz YAVDVRRBLLWBTP-FQEVSTJZSA-N 1 2 378.488 4.282 20 0 GIADLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F ZINC000165747284 823862470 /nfs/dbraw/zinc/86/24/70/823862470.db2.gz KNHQYAXHZBDXTI-KGLIPLIRSA-N 1 2 394.315 4.248 20 0 GIADLO O[C@@H]([C@H]1CCC[N@H+]1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F ZINC000165747284 823862477 /nfs/dbraw/zinc/86/24/77/823862477.db2.gz KNHQYAXHZBDXTI-KGLIPLIRSA-N 1 2 394.315 4.248 20 0 GIADLO Cc1nc(CN2CCN(c3cc(C)cc[nH+]3)CC2)oc1-c1ccc(Cl)cc1 ZINC000165956094 823866876 /nfs/dbraw/zinc/86/68/76/823866876.db2.gz VBDJBGHPDUCFOJ-UHFFFAOYSA-N 1 2 382.895 4.329 20 0 GIADLO C[C@@H](CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)c(Br)c1 ZINC000462201587 823867979 /nfs/dbraw/zinc/86/79/79/823867979.db2.gz UNFIDHIEIHFADW-LBPRGKRZSA-N 1 2 394.288 4.211 20 0 GIADLO C[C@@H](CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)c(Br)c1 ZINC000462201587 823867986 /nfs/dbraw/zinc/86/79/86/823867986.db2.gz UNFIDHIEIHFADW-LBPRGKRZSA-N 1 2 394.288 4.211 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[NH+]3CCC4(CCCCC4)CC3)nc2c1 ZINC000126442074 823868297 /nfs/dbraw/zinc/86/82/97/823868297.db2.gz YBDQNUSJFXRWQQ-UHFFFAOYSA-N 1 2 376.522 4.168 20 0 GIADLO C[C@@H]1CCN(C(=O)CCSc2nc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000126446849 823869901 /nfs/dbraw/zinc/86/99/01/823869901.db2.gz BRMCGLWXFNFDSG-ZBFHGGJFSA-N 1 2 386.546 4.085 20 0 GIADLO COc1ccc(F)c(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000126458749 823873238 /nfs/dbraw/zinc/87/32/38/823873238.db2.gz HDPRKFGYNXAHLD-PMACEKPBSA-N 1 2 380.423 4.081 20 0 GIADLO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1nc(Cc2ccccc2)no1 ZINC000192137897 823875013 /nfs/dbraw/zinc/87/50/13/823875013.db2.gz CWMXCKGDJHKJON-CFSSXQINSA-N 1 2 385.414 4.119 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cs1 ZINC000166370812 823877030 /nfs/dbraw/zinc/87/70/30/823877030.db2.gz XLNQDEFXOWVUJM-OAQYLSRUSA-N 1 2 385.533 4.003 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CC[C@@]3(CCOC3)C2)cs1 ZINC000166370812 823877032 /nfs/dbraw/zinc/87/70/32/823877032.db2.gz XLNQDEFXOWVUJM-OAQYLSRUSA-N 1 2 385.533 4.003 20 0 GIADLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)CCO1 ZINC000126480642 823879580 /nfs/dbraw/zinc/87/95/80/823879580.db2.gz LROWWULXJWZGBO-QHCPKHFHSA-N 1 2 390.483 4.092 20 0 GIADLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)CCO1 ZINC000126480642 823879586 /nfs/dbraw/zinc/87/95/86/823879586.db2.gz LROWWULXJWZGBO-QHCPKHFHSA-N 1 2 390.483 4.092 20 0 GIADLO Cc1c2ccccc2[nH+]c(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C(=O)[O-] ZINC000574991820 823881077 /nfs/dbraw/zinc/88/10/77/823881077.db2.gz KCXQBNZXWBEABA-YWZLYKJASA-N 1 2 395.528 4.220 20 0 GIADLO Cc1c2ccccc2[nH+]c(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C(=O)[O-] ZINC000574991820 823881080 /nfs/dbraw/zinc/88/10/80/823881080.db2.gz KCXQBNZXWBEABA-YWZLYKJASA-N 1 2 395.528 4.220 20 0 GIADLO CN1C(=O)C[C@H]([NH2+]Cc2ncc(-c3ccccc3)o2)[C@H]1c1ccc(Cl)cc1 ZINC000192150387 823881156 /nfs/dbraw/zinc/88/11/56/823881156.db2.gz OLTMSBZWCWIYME-LAUBAEHRSA-N 1 2 381.863 4.057 20 0 GIADLO c1csc(COc2cccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)c2)c1 ZINC000574992910 823881604 /nfs/dbraw/zinc/88/16/04/823881604.db2.gz RJVGXIJEOVEYOX-VQIMIIECSA-N 1 2 397.500 4.303 20 0 GIADLO c1csc(COc2cccc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)c2)c1 ZINC000574992910 823881610 /nfs/dbraw/zinc/88/16/10/823881610.db2.gz RJVGXIJEOVEYOX-VQIMIIECSA-N 1 2 397.500 4.303 20 0 GIADLO Cc1ccc([C@H](C)NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1F ZINC000462230183 823884160 /nfs/dbraw/zinc/88/41/60/823884160.db2.gz ZFNKAJCGCJGTCE-HOTGVXAUSA-N 1 2 375.513 4.345 20 0 GIADLO CSc1ccc(F)cc1CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462230221 823884289 /nfs/dbraw/zinc/88/42/89/823884289.db2.gz ZKSVFMWFIJVQDK-AWEZNQCLSA-N 1 2 393.553 4.198 20 0 GIADLO COc1ccc(Cl)cc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462232566 823886078 /nfs/dbraw/zinc/88/60/78/823886078.db2.gz MQQOHJXTLQPTGD-CYBMUJFWSA-N 1 2 379.913 4.321 20 0 GIADLO CC[C@H](CNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)CC(F)(F)F ZINC000414006238 823888110 /nfs/dbraw/zinc/88/81/10/823888110.db2.gz PDSNXSSYWNXKNG-AWEZNQCLSA-N 1 2 393.453 4.321 20 0 GIADLO CC[C@H](CNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)CC(F)(F)F ZINC000414006238 823888116 /nfs/dbraw/zinc/88/81/16/823888116.db2.gz PDSNXSSYWNXKNG-AWEZNQCLSA-N 1 2 393.453 4.321 20 0 GIADLO C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000126530611 823891969 /nfs/dbraw/zinc/89/19/69/823891969.db2.gz FMCRHDRCBUCYEA-PBHICJAKSA-N 1 2 390.325 4.033 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCCCC[C@@H]1c1ccco1 ZINC000575026432 823892331 /nfs/dbraw/zinc/89/23/31/823892331.db2.gz VBWARDWNWIILQG-HXUWFJFHSA-N 1 2 378.476 4.351 20 0 GIADLO CCn1c2cc(Br)ccc2[nH+]c1NCc1ccc([S@](C)=O)cc1 ZINC000167832930 823896563 /nfs/dbraw/zinc/89/65/63/823896563.db2.gz LLVATGGQIVYMLN-HSZRJFAPSA-N 1 2 392.322 4.168 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)s1 ZINC000414061017 823898655 /nfs/dbraw/zinc/89/86/55/823898655.db2.gz BEAZOHBSPYEHMX-ZDUSSCGKSA-N 1 2 390.505 4.111 20 0 GIADLO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc1OC ZINC000414064885 823899172 /nfs/dbraw/zinc/89/91/72/823899172.db2.gz GJTNYGZWHNMXLB-STQMWFEESA-N 1 2 378.494 4.139 20 0 GIADLO O=C(CCC(=O)c1csc2ccccc12)NCc1ccccc1-n1cc[nH+]c1 ZINC000126574127 823903240 /nfs/dbraw/zinc/90/32/40/823903240.db2.gz ZOSLCHFFCNCMCF-UHFFFAOYSA-N 1 2 389.480 4.366 20 0 GIADLO C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000126577533 823904155 /nfs/dbraw/zinc/90/41/55/823904155.db2.gz YQHORYREUAMEIR-INIZCTEOSA-N 1 2 388.508 4.025 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)s1 ZINC000414116084 823912982 /nfs/dbraw/zinc/91/29/82/823912982.db2.gz QCPDDTSEODOPFC-VXGBXAGGSA-N 1 2 378.469 4.269 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Oc2ccccc2)ccc1O ZINC000192245823 823914660 /nfs/dbraw/zinc/91/46/60/823914660.db2.gz FKPDSRGIQXTDRO-UHFFFAOYSA-N 1 2 393.487 4.496 20 0 GIADLO CSc1cnn(-c2ccccc2)c1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000126637853 823916971 /nfs/dbraw/zinc/91/69/71/823916971.db2.gz WHEDICAXPDDUAA-UHFFFAOYSA-N 1 2 396.520 4.003 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000192251310 823917071 /nfs/dbraw/zinc/91/70/71/823917071.db2.gz YIHRSMZLDXDEHQ-AWEZNQCLSA-N 1 2 398.334 4.458 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000192250091 823917194 /nfs/dbraw/zinc/91/71/94/823917194.db2.gz RPYPCSYTJNPZRX-UHFFFAOYSA-N 1 2 393.535 4.109 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)c1ccc(Br)s1 ZINC000192256586 823919088 /nfs/dbraw/zinc/91/90/88/823919088.db2.gz XOGVXSKDNBBFDI-ZDUSSCGKSA-N 1 2 398.370 4.312 20 0 GIADLO CSc1ccc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000462307773 823919344 /nfs/dbraw/zinc/91/93/44/823919344.db2.gz HKWNXMQJKZQJJH-OAHLLOKOSA-N 1 2 375.563 4.058 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000192259159 823920024 /nfs/dbraw/zinc/92/00/24/823920024.db2.gz UTQZXNTXIROPCS-HUUCEWRRSA-N 1 2 377.891 4.280 20 0 GIADLO O=C(NC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1)c1ccsc1 ZINC000064989747 823922195 /nfs/dbraw/zinc/92/21/95/823922195.db2.gz XSWRYKYJUMEHDL-UHFFFAOYSA-N 1 2 398.557 4.343 20 0 GIADLO O=C(NC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1)c1ccsc1 ZINC000064992051 823922316 /nfs/dbraw/zinc/92/23/16/823922316.db2.gz XMVLKHKLKNNTEO-UHFFFAOYSA-N 1 2 397.313 4.044 20 0 GIADLO CC(C)(C)c1nnc(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)[nH]1 ZINC000414180752 823923957 /nfs/dbraw/zinc/92/39/57/823923957.db2.gz LSGNNKQICPXUBC-CYBMUJFWSA-N 1 2 383.721 4.295 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc(Cl)cc(Br)c2)s1 ZINC000414235086 823935582 /nfs/dbraw/zinc/93/55/82/823935582.db2.gz DDEOCDBSELIACA-QMMMGPOBSA-N 1 2 389.702 4.196 20 0 GIADLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc4ncccc43)c2C1 ZINC000462367482 823944215 /nfs/dbraw/zinc/94/42/15/823944215.db2.gz CMFRLARCLUDFDD-INIZCTEOSA-N 1 2 395.528 4.396 20 0 GIADLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc4ncccc43)c2C1 ZINC000462367482 823944221 /nfs/dbraw/zinc/94/42/21/823944221.db2.gz CMFRLARCLUDFDD-INIZCTEOSA-N 1 2 395.528 4.396 20 0 GIADLO CCS(=O)(=O)CCC[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000414346408 823962370 /nfs/dbraw/zinc/96/23/70/823962370.db2.gz VCDROZNTNOARSP-GOSISDBHSA-N 1 2 387.879 4.122 20 0 GIADLO CCOc1ccc(Br)cc1C[N@H+](Cc1ccc(C)nn1)C1CC1 ZINC000414382861 823970423 /nfs/dbraw/zinc/97/04/23/823970423.db2.gz PYLUEBDYDAEWMD-UHFFFAOYSA-N 1 2 376.298 4.111 20 0 GIADLO CCOc1ccc(Br)cc1C[N@@H+](Cc1ccc(C)nn1)C1CC1 ZINC000414382861 823970429 /nfs/dbraw/zinc/97/04/29/823970429.db2.gz PYLUEBDYDAEWMD-UHFFFAOYSA-N 1 2 376.298 4.111 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414401948 823972429 /nfs/dbraw/zinc/97/24/29/823972429.db2.gz XJPQOTCOLYDURK-UHFFFAOYSA-N 1 2 394.494 4.397 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414401948 823972435 /nfs/dbraw/zinc/97/24/35/823972435.db2.gz XJPQOTCOLYDURK-UHFFFAOYSA-N 1 2 394.494 4.397 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc(C)c1Br ZINC000192417801 823980339 /nfs/dbraw/zinc/98/03/39/823980339.db2.gz DXWAMTNNPSIFCL-MLGOLLRUSA-N 1 2 391.313 4.377 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc(C)c1Br ZINC000192417804 823980463 /nfs/dbraw/zinc/98/04/63/823980463.db2.gz DXWAMTNNPSIFCL-WBMJQRKESA-N 1 2 391.313 4.377 20 0 GIADLO C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000575727453 823982491 /nfs/dbraw/zinc/98/24/91/823982491.db2.gz VXVMTCSKEUTPTE-CQSZACIVSA-N 1 2 384.480 4.344 20 0 GIADLO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000127011636 824000320 /nfs/dbraw/zinc/00/03/20/824000320.db2.gz QVMSBCPMKZBIME-QFIPXVFZSA-N 1 2 389.455 4.346 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCc2c(C)cccc2C1 ZINC000170921821 824005585 /nfs/dbraw/zinc/00/55/85/824005585.db2.gz LDIXBFMDUZLAFF-IBGZPJMESA-N 1 2 388.515 4.183 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CCc2c(C)cccc2C1 ZINC000170921821 824005590 /nfs/dbraw/zinc/00/55/90/824005590.db2.gz LDIXBFMDUZLAFF-IBGZPJMESA-N 1 2 388.515 4.183 20 0 GIADLO COCc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000192503418 824013197 /nfs/dbraw/zinc/01/31/97/824013197.db2.gz NQEXWVMHEYIBKT-NHCUHLMSSA-N 1 2 376.460 4.080 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(C)cc3Cl)CCCC2)no1 ZINC000575873758 824016886 /nfs/dbraw/zinc/01/68/86/824016886.db2.gz AZYSUQRTXOYLCY-UHFFFAOYSA-N 1 2 376.932 4.432 20 0 GIADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000170957364 824018451 /nfs/dbraw/zinc/01/84/51/824018451.db2.gz YXZKMKSYGNHDMD-UHFFFAOYSA-N 1 2 395.503 4.089 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCCc4cc(N)ccc43)n2)C1 ZINC000414748572 824032856 /nfs/dbraw/zinc/03/28/56/824032856.db2.gz IRZZABODXHPUIU-KUHUBIRLSA-N 1 2 399.564 4.156 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCCc4cc(N)ccc43)n2)C1 ZINC000414748572 824032860 /nfs/dbraw/zinc/03/28/60/824032860.db2.gz IRZZABODXHPUIU-KUHUBIRLSA-N 1 2 399.564 4.156 20 0 GIADLO Cc1c(Br)scc1-c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000575953400 824036419 /nfs/dbraw/zinc/03/64/19/824036419.db2.gz HHAGIFXQUPCLGZ-UHFFFAOYSA-N 1 2 389.278 4.416 20 0 GIADLO CC1(C)CN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H]1c1cccnc1 ZINC000575995876 824046061 /nfs/dbraw/zinc/04/60/61/824046061.db2.gz CFWMLDHXTCANIP-LJQANCHMSA-N 1 2 395.894 4.213 20 0 GIADLO OC[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Br)c1cccc(F)c1 ZINC000576032501 824054468 /nfs/dbraw/zinc/05/44/68/824054468.db2.gz PTYAPCSSBQRFFW-HNNXBMFYSA-N 1 2 392.190 4.430 20 0 GIADLO COC(=O)c1occc1C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000359993072 212130116 /nfs/dbraw/zinc/13/01/16/212130116.db2.gz JPIHFFFQRWXZQX-MLGOLLRUSA-N 1 2 384.259 4.240 20 0 GIADLO CN(C)c1cccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000016003236 221354730 /nfs/dbraw/zinc/35/47/30/221354730.db2.gz OWXOHQQHFRHENT-UHFFFAOYSA-N 1 2 392.528 4.020 20 0 GIADLO CN(C)c1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000016003236 221354735 /nfs/dbraw/zinc/35/47/35/221354735.db2.gz OWXOHQQHFRHENT-UHFFFAOYSA-N 1 2 392.528 4.020 20 0 GIADLO C=Cc1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nc1 ZINC001164660883 719352225 /nfs/dbraw/zinc/35/22/25/719352225.db2.gz ZGLIZXALEZPMSP-UHFFFAOYSA-N 1 2 399.542 4.419 20 0 GIADLO C=Cc1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nc1 ZINC001164660883 719352230 /nfs/dbraw/zinc/35/22/30/719352230.db2.gz ZGLIZXALEZPMSP-UHFFFAOYSA-N 1 2 399.542 4.419 20 0 GIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccc4ccsc42)CC3)cc1 ZINC001164674518 719502228 /nfs/dbraw/zinc/50/22/28/719502228.db2.gz YUMUGCJPDFYLQG-UHFFFAOYSA-N 1 2 397.519 4.307 20 0 GIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccc4ccsc42)CC3)cc1 ZINC001164674518 719502239 /nfs/dbraw/zinc/50/22/39/719502239.db2.gz YUMUGCJPDFYLQG-UHFFFAOYSA-N 1 2 397.519 4.307 20 0 GIADLO CC(C)(C)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164678807 719532091 /nfs/dbraw/zinc/53/20/91/719532091.db2.gz OBZPSUUTBZJMLN-UHFFFAOYSA-N 1 2 397.538 4.390 20 0 GIADLO CC(C)(C)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164678807 719532103 /nfs/dbraw/zinc/53/21/03/719532103.db2.gz OBZPSUUTBZJMLN-UHFFFAOYSA-N 1 2 397.538 4.390 20 0 GIADLO Clc1cc(Cl)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164721162 720355580 /nfs/dbraw/zinc/35/55/80/720355580.db2.gz AVGABYXMWPZQEB-UONOGXRCSA-N 1 2 383.710 4.290 20 0 GIADLO Clc1cc(Cl)c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164721162 720355587 /nfs/dbraw/zinc/35/55/87/720355587.db2.gz AVGABYXMWPZQEB-UONOGXRCSA-N 1 2 383.710 4.290 20 0 GIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)cc3ccc(C)cc32)CC1 ZINC001164917700 721817496 /nfs/dbraw/zinc/81/74/96/721817496.db2.gz GYTPXNQFEZISBL-UHFFFAOYSA-N 1 2 395.938 4.143 20 0 GIADLO COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000458497089 823047649 /nfs/dbraw/zinc/04/76/49/823047649.db2.gz YSFSMJGAPGGNOO-IAGOWNOFSA-N 1 2 378.476 4.311 20 0 GIADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000570554816 823053580 /nfs/dbraw/zinc/05/35/80/823053580.db2.gz BFDLCEOWLHRKRX-IAQYHMDHSA-N 1 2 378.263 4.248 20 0 GIADLO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000570554816 823053586 /nfs/dbraw/zinc/05/35/86/823053586.db2.gz BFDLCEOWLHRKRX-IAQYHMDHSA-N 1 2 378.263 4.248 20 0 GIADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000175845301 823053587 /nfs/dbraw/zinc/05/35/87/823053587.db2.gz JKGWEWPGSYNTGA-UHFFFAOYSA-N 1 2 377.492 4.024 20 0 GIADLO C[C@@H](CC(=O)N1CCC(c2ccccc2Br)CC1)n1cc[nH+]c1 ZINC000570573447 823056185 /nfs/dbraw/zinc/05/61/85/823056185.db2.gz NKRLHPNBAZNISC-AWEZNQCLSA-N 1 2 376.298 4.003 20 0 GIADLO O=C(Nc1ccc2c(c1)CCCC2=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000570602367 823060655 /nfs/dbraw/zinc/06/06/55/823060655.db2.gz MOSXHWDMYJMGMK-UHFFFAOYSA-N 1 2 392.503 4.150 20 0 GIADLO Fc1ccc(-c2noc(C[NH+]3CCC(Oc4ccc(F)cc4F)CC3)n2)cc1 ZINC000120778029 823062084 /nfs/dbraw/zinc/06/20/84/823062084.db2.gz AMLFTEFKTBNIMA-UHFFFAOYSA-N 1 2 389.377 4.197 20 0 GIADLO C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1nc2ccccc2s1 ZINC000120805726 823067968 /nfs/dbraw/zinc/06/79/68/823067968.db2.gz CLKSXGDTYLCCBS-UHFFFAOYSA-N 1 2 392.484 4.090 20 0 GIADLO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1nc2ccccc2s1 ZINC000120805726 823067975 /nfs/dbraw/zinc/06/79/75/823067975.db2.gz CLKSXGDTYLCCBS-UHFFFAOYSA-N 1 2 392.484 4.090 20 0 GIADLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1c(F)cccc1Cl ZINC000175915362 823071314 /nfs/dbraw/zinc/07/13/14/823071314.db2.gz JQVLPLUHJCTVDS-CYBMUJFWSA-N 1 2 376.863 4.035 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(OCc3ccccc3F)nc2)o1 ZINC000187487407 823073399 /nfs/dbraw/zinc/07/33/99/823073399.db2.gz AYQKCQOYDVYYHF-HXUWFJFHSA-N 1 2 384.451 4.432 20 0 GIADLO CCSc1cc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000056016689 823079349 /nfs/dbraw/zinc/07/93/49/823079349.db2.gz RBFYTWZTKBOFOM-IYBDPMFKSA-N 1 2 385.533 4.055 20 0 GIADLO CCSc1cc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000056016689 823079357 /nfs/dbraw/zinc/07/93/57/823079357.db2.gz RBFYTWZTKBOFOM-IYBDPMFKSA-N 1 2 385.533 4.055 20 0 GIADLO CCc1nc2ccccc2n1Cc1noc(-c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000570760711 823082557 /nfs/dbraw/zinc/08/25/57/823082557.db2.gz NSZRZGMKKRXZCM-UHFFFAOYSA-N 1 2 384.443 4.191 20 0 GIADLO Cn1c2ccccc2nc1[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000570763654 823082987 /nfs/dbraw/zinc/08/29/87/823082987.db2.gz DXUAKKIRQQBLKH-OAQYLSRUSA-N 1 2 396.454 4.132 20 0 GIADLO CC[C@H](CN(CC)C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000187539498 823085247 /nfs/dbraw/zinc/08/52/47/823085247.db2.gz PASKXJNIHSMGJS-LJQANCHMSA-N 1 2 380.536 4.276 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1C ZINC000175978617 823087515 /nfs/dbraw/zinc/08/75/15/823087515.db2.gz VGXASRMAFDWPRG-NRFANRHFSA-N 1 2 383.467 4.086 20 0 GIADLO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1C ZINC000175978617 823087523 /nfs/dbraw/zinc/08/75/23/823087523.db2.gz VGXASRMAFDWPRG-NRFANRHFSA-N 1 2 383.467 4.086 20 0 GIADLO CCSc1ccc(Cl)cc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120935561 823089403 /nfs/dbraw/zinc/08/94/03/823089403.db2.gz PTKJYFBMHIWZLK-AWEZNQCLSA-N 1 2 377.941 4.280 20 0 GIADLO CC(=O)c1cc(C[NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)on1 ZINC000570813506 823090719 /nfs/dbraw/zinc/09/07/19/823090719.db2.gz PZMJRFVZOIGRLX-UHFFFAOYSA-N 1 2 382.382 4.187 20 0 GIADLO O=C(CCCc1nccs1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000570819894 823091692 /nfs/dbraw/zinc/09/16/92/823091692.db2.gz RGPQHGUWYSYNFY-INIZCTEOSA-N 1 2 395.931 4.212 20 0 GIADLO O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120956906 823092879 /nfs/dbraw/zinc/09/28/79/823092879.db2.gz DDCPWSPJKKRXSU-OAQYLSRUSA-N 1 2 397.478 4.378 20 0 GIADLO Cc1ccc([C@@H](C)N(C)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000176003582 823092931 /nfs/dbraw/zinc/09/29/31/823092931.db2.gz NMNOFHKUFMWMLO-LJQANCHMSA-N 1 2 394.563 4.432 20 0 GIADLO Cc1cc(C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)ccc1Br ZINC000570860543 823097789 /nfs/dbraw/zinc/09/77/89/823097789.db2.gz IVYYRIWEOFGRBZ-AWEZNQCLSA-N 1 2 390.325 4.065 20 0 GIADLO Cc1cc(C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)ccc1Br ZINC000570860543 823097796 /nfs/dbraw/zinc/09/77/96/823097796.db2.gz IVYYRIWEOFGRBZ-AWEZNQCLSA-N 1 2 390.325 4.065 20 0 GIADLO CC[C@]1(CO)CCC[N@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)C1 ZINC000187606586 823096926 /nfs/dbraw/zinc/09/69/26/823096926.db2.gz RWLUZALTLJVOFM-NRFANRHFSA-N 1 2 387.549 4.121 20 0 GIADLO CC[C@]1(CO)CCC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)C1 ZINC000187606586 823096932 /nfs/dbraw/zinc/09/69/32/823096932.db2.gz RWLUZALTLJVOFM-NRFANRHFSA-N 1 2 387.549 4.121 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2ccc(OCC3CC3)nc2)no1)c1ccc(Cl)cc1 ZINC000570866130 823098726 /nfs/dbraw/zinc/09/87/26/823098726.db2.gz JUZZCQAZOBGDNQ-SFHVURJKSA-N 1 2 384.867 4.225 20 0 GIADLO C[C@H](c1cccc(NC(=O)c2ccc3c(c2)CCCCC3=O)c1)[NH+]1CCOCC1 ZINC000570892316 823103394 /nfs/dbraw/zinc/10/33/94/823103394.db2.gz MPNMYXLAARGQHO-QGZVFWFLSA-N 1 2 392.499 4.241 20 0 GIADLO O=C(c1ccccc1)N1CCC(CNc2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000570898044 823104821 /nfs/dbraw/zinc/10/48/21/823104821.db2.gz SRWVHOFOXOTUJB-UHFFFAOYSA-N 1 2 385.471 4.075 20 0 GIADLO O=C(C1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1)C(F)(F)F ZINC000187660480 823107573 /nfs/dbraw/zinc/10/75/73/823107573.db2.gz CLAHTWKSFIBEDD-UHFFFAOYSA-N 1 2 378.394 4.004 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)c1C ZINC000458946381 823110012 /nfs/dbraw/zinc/11/00/12/823110012.db2.gz NEWFAZLIOSNFKO-GJZGRUSLSA-N 1 2 387.446 4.360 20 0 GIADLO Cc1csc(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000459027805 823118726 /nfs/dbraw/zinc/11/87/26/823118726.db2.gz SIAGRHLLLZUXLL-UHFFFAOYSA-N 1 2 388.924 4.318 20 0 GIADLO COc1cccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121139775 823125442 /nfs/dbraw/zinc/12/54/42/823125442.db2.gz KNIOCLDNEADGJH-MRXNPFEDSA-N 1 2 389.565 4.235 20 0 GIADLO COc1cccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121139775 823125444 /nfs/dbraw/zinc/12/54/44/823125444.db2.gz KNIOCLDNEADGJH-MRXNPFEDSA-N 1 2 389.565 4.235 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c[nH+]1 ZINC000459083464 823125464 /nfs/dbraw/zinc/12/54/64/823125464.db2.gz SPQCQRFDUWBEGH-SFHVURJKSA-N 1 2 375.925 4.352 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000121139595 823125493 /nfs/dbraw/zinc/12/54/93/823125493.db2.gz PHXARJVXJHLADF-HNNXBMFYSA-N 1 2 377.529 4.365 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000121139595 823125495 /nfs/dbraw/zinc/12/54/95/823125495.db2.gz PHXARJVXJHLADF-HNNXBMFYSA-N 1 2 377.529 4.365 20 0 GIADLO C[N@H+](CCC1CCOCC1)Cn1nc(COc2ccc(Cl)cc2)oc1=S ZINC000121168350 823131393 /nfs/dbraw/zinc/13/13/93/823131393.db2.gz GTECPJTUILROLC-UHFFFAOYSA-N 1 2 397.928 4.144 20 0 GIADLO C[N@@H+](CCC1CCOCC1)Cn1nc(COc2ccc(Cl)cc2)oc1=S ZINC000121168350 823131396 /nfs/dbraw/zinc/13/13/96/823131396.db2.gz GTECPJTUILROLC-UHFFFAOYSA-N 1 2 397.928 4.144 20 0 GIADLO O=C(c1cc(-c2ccco2)nc2ccccc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121173801 823132312 /nfs/dbraw/zinc/13/23/12/823132312.db2.gz DOYZGNQKXFVTKK-QGZVFWFLSA-N 1 2 385.423 4.183 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C3CCCC3)C(F)(F)F)cn2c1 ZINC000176143334 823134311 /nfs/dbraw/zinc/13/43/11/823134311.db2.gz BJQQIBRKBRHJFD-QGZVFWFLSA-N 1 2 385.455 4.113 20 0 GIADLO CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459145307 823134724 /nfs/dbraw/zinc/13/47/24/823134724.db2.gz HHAXIGIMBLBONE-IBGZPJMESA-N 1 2 376.932 4.435 20 0 GIADLO Cc1coc(-c2ccc(C)c(NC(=O)N3CC[NH+](Cc4cccs4)CC3)c2)n1 ZINC000121214249 823140109 /nfs/dbraw/zinc/14/01/09/823140109.db2.gz ZYCQXJAILKCEJC-UHFFFAOYSA-N 1 2 396.516 4.370 20 0 GIADLO c1cc([C@@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)[nH]n1 ZINC000121222772 823141923 /nfs/dbraw/zinc/14/19/23/823141923.db2.gz IXINHIWTTMTIOF-LJQANCHMSA-N 1 2 384.487 4.037 20 0 GIADLO c1cc([C@@H]2CCC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)[nH]n1 ZINC000121222772 823141926 /nfs/dbraw/zinc/14/19/26/823141926.db2.gz IXINHIWTTMTIOF-LJQANCHMSA-N 1 2 384.487 4.037 20 0 GIADLO Cc1cc(C)c(NC(=O)NCc2ccc(COC3CCOCC3)cc2)c(C)[nH+]1 ZINC000571159753 823142512 /nfs/dbraw/zinc/14/25/12/823142512.db2.gz PDNTWDZBKRNUCT-UHFFFAOYSA-N 1 2 383.492 4.024 20 0 GIADLO CC[N@H+](C)[C@H](c1nc(CCn2c(C)nc3ccccc32)no1)c1ccccc1 ZINC000571174879 823144179 /nfs/dbraw/zinc/14/41/79/823144179.db2.gz GVVPUWGQCRIAQF-NRFANRHFSA-N 1 2 375.476 4.012 20 0 GIADLO CC[N@@H+](C)[C@H](c1nc(CCn2c(C)nc3ccccc32)no1)c1ccccc1 ZINC000571174879 823144181 /nfs/dbraw/zinc/14/41/81/823144181.db2.gz GVVPUWGQCRIAQF-NRFANRHFSA-N 1 2 375.476 4.012 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)NC1(Cc2ccccc2)CCCC1 ZINC000571209857 823149011 /nfs/dbraw/zinc/14/90/11/823149011.db2.gz PXLZXPNPRBVAOP-UHFFFAOYSA-N 1 2 388.515 4.286 20 0 GIADLO O=C(Nc1ccc(-n2cccn2)cc1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000121269056 823151998 /nfs/dbraw/zinc/15/19/98/823151998.db2.gz HZRWYCKCKPYDIE-FCHUYYIVSA-N 1 2 398.470 4.119 20 0 GIADLO c1cc([C@@H]2CCC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)[nH]n1 ZINC000121283308 823154872 /nfs/dbraw/zinc/15/48/72/823154872.db2.gz MARFIIBBOVFWCP-LJQANCHMSA-N 1 2 384.487 4.037 20 0 GIADLO c1cc([C@@H]2CCC[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)[nH]n1 ZINC000121283308 823154874 /nfs/dbraw/zinc/15/48/74/823154874.db2.gz MARFIIBBOVFWCP-LJQANCHMSA-N 1 2 384.487 4.037 20 0 GIADLO Cn1c[nH+]cc1CCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000121305676 823159545 /nfs/dbraw/zinc/15/95/45/823159545.db2.gz VBAKQDJYZXDUAI-UHFFFAOYSA-N 1 2 390.270 4.492 20 0 GIADLO Cc1cc(C(=O)NC2CC[NH+](Cc3c(F)cc(C)cc3Cl)CC2)c(C)o1 ZINC000459322003 823161468 /nfs/dbraw/zinc/16/14/68/823161468.db2.gz BWMUGYRWKCSKGD-UHFFFAOYSA-N 1 2 378.875 4.392 20 0 GIADLO O=C(CC[N@@H+]1CCO[C@H](c2ccco2)C1)Nc1ccccc1Oc1ccccc1 ZINC000121340303 823166094 /nfs/dbraw/zinc/16/60/94/823166094.db2.gz ZLPVRMHCZKXVDG-QFIPXVFZSA-N 1 2 392.455 4.474 20 0 GIADLO O=C(CC[N@H+]1CCO[C@H](c2ccco2)C1)Nc1ccccc1Oc1ccccc1 ZINC000121340303 823166101 /nfs/dbraw/zinc/16/61/01/823166101.db2.gz ZLPVRMHCZKXVDG-QFIPXVFZSA-N 1 2 392.455 4.474 20 0 GIADLO O[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000187997474 823169240 /nfs/dbraw/zinc/16/92/40/823169240.db2.gz HSOZRXJWVWNNJJ-SJORKVTESA-N 1 2 380.250 4.268 20 0 GIADLO CCOC(=O)c1noc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCCCC2)n1 ZINC000459365635 823173393 /nfs/dbraw/zinc/17/33/93/823173393.db2.gz LVTAOGXMWAQGLU-UHFFFAOYSA-N 1 2 397.397 4.214 20 0 GIADLO O[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000188035033 823174746 /nfs/dbraw/zinc/17/47/46/823174746.db2.gz OCUDDPFTZFACSL-SJORKVTESA-N 1 2 380.250 4.268 20 0 GIADLO C[C@H](c1cccc(NC(=O)N2CCc3cccc(Cl)c3C2)c1)[NH+]1CCOCC1 ZINC000459382574 823178434 /nfs/dbraw/zinc/17/84/34/823178434.db2.gz FUXOWSWMIOIMNW-MRXNPFEDSA-N 1 2 399.922 4.323 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000056603403 823178718 /nfs/dbraw/zinc/17/87/18/823178718.db2.gz YQJIZZDWRRAPOQ-UHFFFAOYSA-N 1 2 382.439 4.203 20 0 GIADLO CC(C)Oc1ccc(C[NH2+][C@@](C)(C(N)=O)c2cccc(Cl)c2)cc1Cl ZINC000188077109 823182885 /nfs/dbraw/zinc/18/28/85/823182885.db2.gz YEKRIYHSCIZIDX-LJQANCHMSA-N 1 2 381.303 4.271 20 0 GIADLO Cc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(OCC(F)(F)F)c1 ZINC000056626046 823184371 /nfs/dbraw/zinc/18/43/71/823184371.db2.gz IDRJGWXHYVRMOM-INIZCTEOSA-N 1 2 398.429 4.369 20 0 GIADLO Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056661894 823191916 /nfs/dbraw/zinc/19/19/16/823191916.db2.gz REGVHYNCTOSXCE-IEGUWTFLSA-N 1 2 393.531 4.413 20 0 GIADLO Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056661894 823191921 /nfs/dbraw/zinc/19/19/21/823191921.db2.gz REGVHYNCTOSXCE-IEGUWTFLSA-N 1 2 393.531 4.413 20 0 GIADLO O[C@H](C[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1)c1cccs1 ZINC000176392652 823197148 /nfs/dbraw/zinc/19/71/48/823197148.db2.gz WUDKTFLDJLVXDU-MRXNPFEDSA-N 1 2 381.457 4.127 20 0 GIADLO O[C@H](C[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1)c1cccs1 ZINC000176392652 823197154 /nfs/dbraw/zinc/19/71/54/823197154.db2.gz WUDKTFLDJLVXDU-MRXNPFEDSA-N 1 2 381.457 4.127 20 0 GIADLO C[C@H](CNC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)Cn1cc[nH+]c1 ZINC000176392606 823197269 /nfs/dbraw/zinc/19/72/69/823197269.db2.gz HODCHKRJIWSBLW-UZLBHIALSA-N 1 2 383.492 4.308 20 0 GIADLO C[C@@H](CNC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1)Cn1cc[nH+]c1 ZINC000176400528 823200073 /nfs/dbraw/zinc/20/00/73/823200073.db2.gz IAJZYCOOEZOSLO-KRWDZBQOSA-N 1 2 397.906 4.111 20 0 GIADLO Cc1cccnc1OC1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000571572517 823202461 /nfs/dbraw/zinc/20/24/61/823202461.db2.gz XFTLUFMDFRIBPB-UHFFFAOYSA-N 1 2 385.414 4.367 20 0 GIADLO C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000571604025 823206526 /nfs/dbraw/zinc/20/65/26/823206526.db2.gz ZPVRHYGGSHPNKP-HNNXBMFYSA-N 1 2 398.894 4.313 20 0 GIADLO O[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000188213350 823204166 /nfs/dbraw/zinc/20/41/66/823204166.db2.gz WOXMKJLHYYLIPI-RDJZCZTQSA-N 1 2 380.250 4.268 20 0 GIADLO FC(F)(F)COc1cc(NCc2ccc(OC[C@H]3CCCO3)cc2)cc[nH+]1 ZINC000571608879 823208249 /nfs/dbraw/zinc/20/82/49/823208249.db2.gz FFIYLSAUFBIGGK-QGZVFWFLSA-N 1 2 382.382 4.193 20 0 GIADLO CCS[C@@H](C)c1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459516202 823209314 /nfs/dbraw/zinc/20/93/14/823209314.db2.gz BIFLHXMMVZYHGS-YJBOKZPZSA-N 1 2 375.538 4.267 20 0 GIADLO O=C(c1cccc(O)c1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000176447883 823209619 /nfs/dbraw/zinc/20/96/19/823209619.db2.gz BBNAMFPCMOHOCJ-UHFFFAOYSA-N 1 2 387.842 4.114 20 0 GIADLO OCC1([C@@H]([NH2+]Cc2nc(Cc3ccccc3)no2)c2ccccc2)CCCC1 ZINC000459533146 823213406 /nfs/dbraw/zinc/21/34/06/823213406.db2.gz PGJXXUSPQFTMFL-QFIPXVFZSA-N 1 2 377.488 4.044 20 0 GIADLO Cc1cc(-c2nnc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCC3)o2)c(C)o1 ZINC000459541500 823216015 /nfs/dbraw/zinc/21/60/15/823216015.db2.gz ZLVWJBYMBFKZEB-FQEVSTJZSA-N 1 2 381.476 4.330 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N(CC1CCCCC1)C1CC1 ZINC000056832190 823220216 /nfs/dbraw/zinc/22/02/16/823220216.db2.gz VPPSEUFFRIDEMG-UHFFFAOYSA-N 1 2 380.536 4.228 20 0 GIADLO O=C(CCCC1CCOCC1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000409451765 823221613 /nfs/dbraw/zinc/22/16/13/823221613.db2.gz DGGVIXQYRGOERF-IBGZPJMESA-N 1 2 396.934 4.329 20 0 GIADLO Cc1cccc(CCCOCCOC(=O)c2ccc3ccc(Cl)cc3n2)[nH+]1 ZINC000176484616 823218508 /nfs/dbraw/zinc/21/85/08/823218508.db2.gz TYVXVZGUEQAQCY-UHFFFAOYSA-N 1 2 384.863 4.398 20 0 GIADLO Oc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2ccnc2)c1Br ZINC000459552155 823218917 /nfs/dbraw/zinc/21/89/17/823218917.db2.gz RRJQXVJMLXNQIF-XLIONFOSSA-N 1 2 398.304 4.370 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)Cc3coc(-c4cccc(Cl)c4)n3)[nH+]c12 ZINC000176505376 823223879 /nfs/dbraw/zinc/22/38/79/823223879.db2.gz PNGLTOLRJBCVMJ-AREMUKBSSA-N 1 2 385.876 4.400 20 0 GIADLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1C(F)(F)F ZINC000056853434 823224072 /nfs/dbraw/zinc/22/40/72/823224072.db2.gz VJQWHAVYPNTLPC-CQSZACIVSA-N 1 2 392.425 4.261 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000409460647 823224346 /nfs/dbraw/zinc/22/43/46/823224346.db2.gz HMAZBEFSPWAPLT-UHFFFAOYSA-N 1 2 399.538 4.268 20 0 GIADLO CCCOCc1ccccc1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000121660576 823224766 /nfs/dbraw/zinc/22/47/66/823224766.db2.gz CXMAEYFGAXSTQO-UHFFFAOYSA-N 1 2 397.544 4.119 20 0 GIADLO Cc1noc(C2C[NH+](Cc3ccc(Br)cc3SC(C)C)C2)n1 ZINC000459603063 823228201 /nfs/dbraw/zinc/22/82/01/823228201.db2.gz GWBWBBZFZRPRRG-UHFFFAOYSA-N 1 2 382.327 4.240 20 0 GIADLO O=C(CC[N@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)Nc1cccnc1 ZINC000459587194 823226019 /nfs/dbraw/zinc/22/60/19/823226019.db2.gz FNQASDVCOZZMEY-GOSISDBHSA-N 1 2 383.883 4.167 20 0 GIADLO O=C(CC[N@@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)Nc1cccnc1 ZINC000459587194 823226022 /nfs/dbraw/zinc/22/60/22/823226022.db2.gz FNQASDVCOZZMEY-GOSISDBHSA-N 1 2 383.883 4.167 20 0 GIADLO COc1ccc(-c2ccc(CNC(=O)N3CCC(n4cc[nH+]c4)CC3)s2)cc1 ZINC000176521002 823228328 /nfs/dbraw/zinc/22/83/28/823228328.db2.gz XBWICXQLNGFAIU-UHFFFAOYSA-N 1 2 396.516 4.167 20 0 GIADLO CCCn1cc(C[N@@H+]2CCCN(Cc3cnc(-c4ccc(C)o4)s3)CC2)cn1 ZINC000121684310 823230167 /nfs/dbraw/zinc/23/01/67/823230167.db2.gz UOIRICQXTHEHMP-UHFFFAOYSA-N 1 2 399.564 4.026 20 0 GIADLO CCCn1cc(C[N@H+]2CCCN(Cc3cnc(-c4ccc(C)o4)s3)CC2)cn1 ZINC000121684310 823230174 /nfs/dbraw/zinc/23/01/74/823230174.db2.gz UOIRICQXTHEHMP-UHFFFAOYSA-N 1 2 399.564 4.026 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)Cc3cn4cc(Cl)cc(Cl)c4n3)[nH+]c12 ZINC000176541065 823232930 /nfs/dbraw/zinc/23/29/30/823232930.db2.gz ILWNTEZXSSKNCJ-RUZDIDTESA-N 1 2 393.299 4.046 20 0 GIADLO O=C(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000571763195 823231695 /nfs/dbraw/zinc/23/16/95/823231695.db2.gz CXEQIQIDQPMVQI-LBPRGKRZSA-N 1 2 392.406 4.227 20 0 GIADLO Cc1cccn2cc(C[S@](=O)[C@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)[nH+]c12 ZINC000176537468 823232012 /nfs/dbraw/zinc/23/20/12/823232012.db2.gz VBCRPTRBEPDVRV-HJWYETAXSA-N 1 2 397.544 4.216 20 0 GIADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459634332 823234304 /nfs/dbraw/zinc/23/43/04/823234304.db2.gz MLIHYIKOYDJVRA-NEPJUHHUSA-N 1 2 397.500 4.258 20 0 GIADLO Cc1ccc2nc(C3CC3)cc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000176558007 823236717 /nfs/dbraw/zinc/23/67/17/823236717.db2.gz XICCMDWGOBTILJ-UHFFFAOYSA-N 1 2 386.499 4.214 20 0 GIADLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057024694 823240588 /nfs/dbraw/zinc/24/05/88/823240588.db2.gz WTOHEVZBABOUQG-OALUTQOASA-N 1 2 395.547 4.358 20 0 GIADLO Cc1cc(C[NH2+]Cc2ncc(Br)s2)ccc1Br ZINC000459669483 823246632 /nfs/dbraw/zinc/24/66/32/823246632.db2.gz UUOOUJBHVGRGKA-UHFFFAOYSA-N 1 2 376.117 4.266 20 0 GIADLO Cc1sc(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)nc1-c1ccccc1 ZINC000176625811 823251899 /nfs/dbraw/zinc/25/18/99/823251899.db2.gz QSWJUPVPOHZNOW-UHFFFAOYSA-N 1 2 388.496 4.277 20 0 GIADLO CCCOc1c(Cl)cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1OCC ZINC000459705518 823254161 /nfs/dbraw/zinc/25/41/61/823254161.db2.gz MPFUGUUQVNSOGJ-UHFFFAOYSA-N 1 2 380.920 4.233 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCc4sc(Cl)cc4C3)cn2c1 ZINC000571923567 823254779 /nfs/dbraw/zinc/25/47/79/823254779.db2.gz LSMZBCLDSONVHC-UHFFFAOYSA-N 1 2 391.949 4.176 20 0 GIADLO c1cc(-c2nc3ccccc3s2)oc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000121810238 823255741 /nfs/dbraw/zinc/25/57/41/823255741.db2.gz GEWKKHIMPACWQH-UHFFFAOYSA-N 1 2 392.484 4.400 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000057130565 823252936 /nfs/dbraw/zinc/25/29/36/823252936.db2.gz LMINIRVOKLCGJG-UHFFFAOYSA-N 1 2 376.847 4.206 20 0 GIADLO Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2)n1 ZINC000176659830 823260040 /nfs/dbraw/zinc/26/00/40/823260040.db2.gz YBFMHESFOLKQSH-GOSISDBHSA-N 1 2 385.471 4.166 20 0 GIADLO CCC[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1 ZINC000057230010 823267541 /nfs/dbraw/zinc/26/75/41/823267541.db2.gz ZXQKVEZKSSZZHD-OAQYLSRUSA-N 1 2 390.487 4.183 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3c(F)cccc3SC)CC2)c1 ZINC000409653895 823274871 /nfs/dbraw/zinc/27/48/71/823274871.db2.gz WJKLWIWXNRCTPL-OAHLLOKOSA-N 1 2 388.508 4.075 20 0 GIADLO O=C(Nc1cccc(SC(F)(F)F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000006252975 817670888 /nfs/dbraw/zinc/67/08/88/817670888.db2.gz CIVVFAMSLCHUQM-UHFFFAOYSA-N 1 2 382.411 4.048 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2csc(C(F)(F)F)n2)C[C@@H](C)O1 ZINC000188665660 823282763 /nfs/dbraw/zinc/28/27/63/823282763.db2.gz XXKMWPOEPHDMLH-VXGBXAGGSA-N 1 2 399.438 4.023 20 0 GIADLO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000006909841 817724199 /nfs/dbraw/zinc/72/41/99/817724199.db2.gz GXJUUANYWAFEAH-UHFFFAOYSA-N 1 2 396.874 4.006 20 0 GIADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000006909841 817724205 /nfs/dbraw/zinc/72/42/05/817724205.db2.gz GXJUUANYWAFEAH-UHFFFAOYSA-N 1 2 396.874 4.006 20 0 GIADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+](C)Cc1cccc(F)c1 ZINC000007004331 817738032 /nfs/dbraw/zinc/73/80/32/817738032.db2.gz LJFODRKUASXAPQ-STQMWFEESA-N 1 2 385.508 4.442 20 0 GIADLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+](C)Cc1cccc(F)c1 ZINC000007004331 817738036 /nfs/dbraw/zinc/73/80/36/817738036.db2.gz LJFODRKUASXAPQ-STQMWFEESA-N 1 2 385.508 4.442 20 0 GIADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3cn(C)nc3C3CCCCC3)ccc21 ZINC000572109837 823285069 /nfs/dbraw/zinc/28/50/69/823285069.db2.gz LNZFRIUXBLQIHU-UHFFFAOYSA-N 1 2 377.492 4.334 20 0 GIADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267138 817807702 /nfs/dbraw/zinc/80/77/02/817807702.db2.gz UTOQJGRFTBTXAH-TZMCWYRMSA-N 1 2 395.286 4.092 20 0 GIADLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267138 817807707 /nfs/dbraw/zinc/80/77/07/817807707.db2.gz UTOQJGRFTBTXAH-TZMCWYRMSA-N 1 2 395.286 4.092 20 0 GIADLO C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000176773258 823289707 /nfs/dbraw/zinc/28/97/07/823289707.db2.gz CWQVQXNBQGYTLH-CYBMUJFWSA-N 1 2 393.834 4.067 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N[C@H]3CCO[C@@]4(CCSC4)C3)c12 ZINC000409730777 823292874 /nfs/dbraw/zinc/29/28/74/823292874.db2.gz IUQKSURVDSLDGH-GTNSWQLSSA-N 1 2 397.313 4.025 20 0 GIADLO Cc1cccc2[nH+]c(CCc3nc(-c4ccccc4Br)no3)[nH]c21 ZINC000460137080 823293176 /nfs/dbraw/zinc/29/31/76/823293176.db2.gz RDZJCNLJHFKGCP-UHFFFAOYSA-N 1 2 383.249 4.469 20 0 GIADLO Cc1c2ccccc2oc(=O)c1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000176790116 823293312 /nfs/dbraw/zinc/29/33/12/823293312.db2.gz INRQKYBSVSDBAY-CYBMUJFWSA-N 1 2 397.500 4.042 20 0 GIADLO Cc1c2ccccc2oc(=O)c1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000176790116 823293316 /nfs/dbraw/zinc/29/33/16/823293316.db2.gz INRQKYBSVSDBAY-CYBMUJFWSA-N 1 2 397.500 4.042 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000007652913 817888355 /nfs/dbraw/zinc/88/83/55/817888355.db2.gz XEZFKHWNEBMELQ-UHFFFAOYSA-N 1 2 384.501 4.468 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000007652913 817888361 /nfs/dbraw/zinc/88/83/61/817888361.db2.gz XEZFKHWNEBMELQ-UHFFFAOYSA-N 1 2 384.501 4.468 20 0 GIADLO C[C@H](c1ccccc1Cl)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000122028337 823296119 /nfs/dbraw/zinc/29/61/19/823296119.db2.gz QWYSWYZBFVXUQK-MRXNPFEDSA-N 1 2 382.895 4.487 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2csc(-c3cccc(OC)c3OC)n2)cc1 ZINC000007682617 817894265 /nfs/dbraw/zinc/89/42/65/817894265.db2.gz HRDKMARIIGAHKB-UHFFFAOYSA-N 1 2 384.501 4.468 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2csc(-c3cccc(OC)c3OC)n2)cc1 ZINC000007682617 817894270 /nfs/dbraw/zinc/89/42/70/817894270.db2.gz HRDKMARIIGAHKB-UHFFFAOYSA-N 1 2 384.501 4.468 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N(Cc1ccccc1)CC1CCC1 ZINC000057485121 823303147 /nfs/dbraw/zinc/30/31/47/823303147.db2.gz ASMBPVBZYDSADD-UHFFFAOYSA-N 1 2 378.520 4.062 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@H+](C)CC(=O)Nc3ccccc3Cl)c2cc1C ZINC000007912385 817956115 /nfs/dbraw/zinc/95/61/15/817956115.db2.gz HHMOZMWSYFWAOX-UHFFFAOYSA-N 1 2 384.863 4.134 20 0 GIADLO Cc1cc2oc(=O)cc(C[N@@H+](C)CC(=O)Nc3ccccc3Cl)c2cc1C ZINC000007912385 817956125 /nfs/dbraw/zinc/95/61/25/817956125.db2.gz HHMOZMWSYFWAOX-UHFFFAOYSA-N 1 2 384.863 4.134 20 0 GIADLO CCCOc1cc(C)ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409792082 823308603 /nfs/dbraw/zinc/30/86/03/823308603.db2.gz UHPSGUYCXFRMHC-UHFFFAOYSA-N 1 2 382.439 4.430 20 0 GIADLO C[C@H]([N@H+](C)Cn1nc(COc2ccccc2Cl)n(C)c1=S)C1(C)CC1 ZINC000176832681 823304719 /nfs/dbraw/zinc/30/47/19/823304719.db2.gz HSURTVLTEOXZFT-ZDUSSCGKSA-N 1 2 380.945 4.261 20 0 GIADLO C[C@H]([N@@H+](C)Cn1nc(COc2ccccc2Cl)n(C)c1=S)C1(C)CC1 ZINC000176832681 823304720 /nfs/dbraw/zinc/30/47/20/823304720.db2.gz HSURTVLTEOXZFT-ZDUSSCGKSA-N 1 2 380.945 4.261 20 0 GIADLO CCOc1ccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2sc(CC)nc2C)cc1 ZINC000122158152 823314740 /nfs/dbraw/zinc/31/47/40/823314740.db2.gz NGUCXMXXSSJCFH-MRXNPFEDSA-N 1 2 389.565 4.064 20 0 GIADLO CCOc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2sc(CC)nc2C)cc1 ZINC000122158152 823314747 /nfs/dbraw/zinc/31/47/47/823314747.db2.gz NGUCXMXXSSJCFH-MRXNPFEDSA-N 1 2 389.565 4.064 20 0 GIADLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000572267274 823310006 /nfs/dbraw/zinc/31/00/06/823310006.db2.gz ZSFPUQZEDWNSRF-MRXNPFEDSA-N 1 2 398.304 4.171 20 0 GIADLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000572267274 823310013 /nfs/dbraw/zinc/31/00/13/823310013.db2.gz ZSFPUQZEDWNSRF-MRXNPFEDSA-N 1 2 398.304 4.171 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](c2ccccc2)C(F)(F)F)c1C ZINC000057613833 823314887 /nfs/dbraw/zinc/31/48/87/823314887.db2.gz VODOAHJYWUPAHM-QGZVFWFLSA-N 1 2 381.398 4.152 20 0 GIADLO Cc1c2ccccc2oc(=O)c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000176856814 823310999 /nfs/dbraw/zinc/31/09/99/823310999.db2.gz LYWXNYKIUPHGMY-UHFFFAOYSA-N 1 2 379.803 4.193 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)c(C)c1 ZINC000176871556 823314227 /nfs/dbraw/zinc/31/42/27/823314227.db2.gz UBTGTWFPAZCLNY-UHFFFAOYSA-N 1 2 399.560 4.456 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)c(C)c1 ZINC000176871556 823314232 /nfs/dbraw/zinc/31/42/32/823314232.db2.gz UBTGTWFPAZCLNY-UHFFFAOYSA-N 1 2 399.560 4.456 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](c2ccco2)c2ccccc2)c1C ZINC000057609440 823314363 /nfs/dbraw/zinc/31/43/63/823314363.db2.gz DTVBIDJGNFHZSV-HXUWFJFHSA-N 1 2 379.460 4.231 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)o1 ZINC000409824632 823317622 /nfs/dbraw/zinc/31/76/22/823317622.db2.gz ADPPSWUYBZRZBY-LULLPPNCSA-N 1 2 379.504 4.208 20 0 GIADLO C[C@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000409826810 823318481 /nfs/dbraw/zinc/31/84/81/823318481.db2.gz FSOKKKGNFJGHLM-RDPSFJRHSA-N 1 2 387.527 4.394 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(CSc2nc(N)cc(C)[nH+]2)cs1 ZINC000057649160 823318526 /nfs/dbraw/zinc/31/85/26/823318526.db2.gz DKLQEMXJFAAUKE-UHFFFAOYSA-N 1 2 399.545 4.363 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000014327170 818235302 /nfs/dbraw/zinc/23/53/02/818235302.db2.gz DFOCRDGUHXZAOK-SFHVURJKSA-N 1 2 394.515 4.234 20 0 GIADLO CCOc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1OC ZINC000014526502 818249654 /nfs/dbraw/zinc/24/96/54/818249654.db2.gz YZVVWFNFDFGRFH-UHFFFAOYSA-N 1 2 389.521 4.035 20 0 GIADLO COc1ccc(-c2csc(NC(=O)C[N@H+](C)Cc3sccc3C)n2)cc1 ZINC000015026003 818284089 /nfs/dbraw/zinc/28/40/89/818284089.db2.gz MIZYNCQPWFVTFY-UHFFFAOYSA-N 1 2 387.530 4.259 20 0 GIADLO COc1ccc(-c2csc(NC(=O)C[N@@H+](C)Cc3sccc3C)n2)cc1 ZINC000015026003 818284096 /nfs/dbraw/zinc/28/40/96/818284096.db2.gz MIZYNCQPWFVTFY-UHFFFAOYSA-N 1 2 387.530 4.259 20 0 GIADLO C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C)c1ccc(Br)cc1 ZINC000015547824 818336929 /nfs/dbraw/zinc/33/69/29/818336929.db2.gz DEOBWWCCOXGPQQ-OLZOCXBDSA-N 1 2 393.350 4.307 20 0 GIADLO C[C@@H](NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C)c1ccc(Br)cc1 ZINC000015547824 818336936 /nfs/dbraw/zinc/33/69/36/818336936.db2.gz DEOBWWCCOXGPQQ-OLZOCXBDSA-N 1 2 393.350 4.307 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000015547363 818336968 /nfs/dbraw/zinc/33/69/68/818336968.db2.gz KXGFCJROSJKQBE-LJQANCHMSA-N 1 2 399.560 4.178 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000015547363 818336974 /nfs/dbraw/zinc/33/69/74/818336974.db2.gz KXGFCJROSJKQBE-LJQANCHMSA-N 1 2 399.560 4.178 20 0 GIADLO Cc1cc(C)c(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(Cl)c1 ZINC000015550965 818337938 /nfs/dbraw/zinc/33/79/38/818337938.db2.gz NFPZXSJMZJZZIO-UHFFFAOYSA-N 1 2 399.922 4.246 20 0 GIADLO O=C(CCc1c[nH]c[nH+]1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000188937696 823330957 /nfs/dbraw/zinc/33/09/57/823330957.db2.gz DKXUUZGAOGAFLR-UHFFFAOYSA-N 1 2 381.288 4.335 20 0 GIADLO O=C(CCc1c[nH+]c[nH]1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000188937696 823330965 /nfs/dbraw/zinc/33/09/65/823330965.db2.gz DKXUUZGAOGAFLR-UHFFFAOYSA-N 1 2 381.288 4.335 20 0 GIADLO O=C(c1sccc1-c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000015765141 818366583 /nfs/dbraw/zinc/36/65/83/818366583.db2.gz SWSGRDSVSMFVSZ-UHFFFAOYSA-N 1 2 392.524 4.252 20 0 GIADLO Cc1[nH+]ccn1CCCC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000122286991 823332588 /nfs/dbraw/zinc/33/25/88/823332588.db2.gz RXTAJMWJRCGZNC-UHFFFAOYSA-N 1 2 377.423 4.293 20 0 GIADLO CCOc1ccc(NC(=O)c2c3ccccc3nc3c2C[N@H+](CC)CC3)cc1 ZINC000016032305 818386874 /nfs/dbraw/zinc/38/68/74/818386874.db2.gz CDJNAHAXHOGKGK-UHFFFAOYSA-N 1 2 375.472 4.264 20 0 GIADLO CCOc1ccc(NC(=O)c2c3ccccc3nc3c2C[N@@H+](CC)CC3)cc1 ZINC000016032305 818386880 /nfs/dbraw/zinc/38/68/80/818386880.db2.gz CDJNAHAXHOGKGK-UHFFFAOYSA-N 1 2 375.472 4.264 20 0 GIADLO Cc1cccc2nc(C3CC[NH+](CN4Cc5ccc(F)cc5C4=O)CC3)oc21 ZINC000188959482 823334295 /nfs/dbraw/zinc/33/42/95/823334295.db2.gz RWYAOGLNKLQGBG-UHFFFAOYSA-N 1 2 379.435 4.068 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc(N2CCCCC2)cc1 ZINC000122314080 823336580 /nfs/dbraw/zinc/33/65/80/823336580.db2.gz QOUZPFKGELHJMQ-UHFFFAOYSA-N 1 2 393.535 4.384 20 0 GIADLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000016420784 818440475 /nfs/dbraw/zinc/44/04/75/818440475.db2.gz RIESCSICEUAYKK-KRWDZBQOSA-N 1 2 380.513 4.489 20 0 GIADLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000016420784 818440476 /nfs/dbraw/zinc/44/04/76/818440476.db2.gz RIESCSICEUAYKK-KRWDZBQOSA-N 1 2 380.513 4.489 20 0 GIADLO C[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccccc1N1CCOCC1 ZINC000016425153 818441366 /nfs/dbraw/zinc/44/13/66/818441366.db2.gz DPVGRUADMWAJKN-UHFFFAOYSA-N 1 2 397.906 4.464 20 0 GIADLO C[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccccc1N1CCOCC1 ZINC000016425153 818441374 /nfs/dbraw/zinc/44/13/74/818441374.db2.gz DPVGRUADMWAJKN-UHFFFAOYSA-N 1 2 397.906 4.464 20 0 GIADLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000016563806 818455382 /nfs/dbraw/zinc/45/53/82/818455382.db2.gz JHDQTOMPBYTOQK-LJQANCHMSA-N 1 2 388.511 4.421 20 0 GIADLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000016563806 818455386 /nfs/dbraw/zinc/45/53/86/818455386.db2.gz JHDQTOMPBYTOQK-LJQANCHMSA-N 1 2 388.511 4.421 20 0 GIADLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000189023046 823343216 /nfs/dbraw/zinc/34/32/16/823343216.db2.gz YMGIHNYHZNFAGX-KRWDZBQOSA-N 1 2 394.523 4.459 20 0 GIADLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000189023046 823343223 /nfs/dbraw/zinc/34/32/23/823343223.db2.gz YMGIHNYHZNFAGX-KRWDZBQOSA-N 1 2 394.523 4.459 20 0 GIADLO COc1ccccc1-c1nc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)cs1 ZINC000057878682 823344009 /nfs/dbraw/zinc/34/40/09/823344009.db2.gz IVOAFTGGTWSNRI-UHFFFAOYSA-N 1 2 382.485 4.222 20 0 GIADLO COc1ccccc1-c1nc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)cs1 ZINC000057878682 823344015 /nfs/dbraw/zinc/34/40/15/823344015.db2.gz IVOAFTGGTWSNRI-UHFFFAOYSA-N 1 2 382.485 4.222 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3c[nH]nc3-c3ccsc3)n2)C1 ZINC000189053758 823349407 /nfs/dbraw/zinc/34/94/07/823349407.db2.gz LOMDKQPEGBXVEJ-LBPRGKRZSA-N 1 2 387.534 4.079 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c[nH]nc3-c3ccsc3)n2)C1 ZINC000189053758 823349411 /nfs/dbraw/zinc/34/94/11/823349411.db2.gz LOMDKQPEGBXVEJ-LBPRGKRZSA-N 1 2 387.534 4.079 20 0 GIADLO C[C@H](CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)n1cc[nH+]c1 ZINC000572487817 823348328 /nfs/dbraw/zinc/34/83/28/823348328.db2.gz RIFIQAHUNGWVGU-CQSZACIVSA-N 1 2 388.899 4.189 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)Cc2nc3ccccc3[nH]2)CC1 ZINC000409940653 823348781 /nfs/dbraw/zinc/34/87/81/823348781.db2.gz ZBZHWVQFRONKFF-INIZCTEOSA-N 1 2 396.560 4.099 20 0 GIADLO O=C(Nc1ccc(-c2cnco2)cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000122430975 823352870 /nfs/dbraw/zinc/35/28/70/823352870.db2.gz CFSOJFDNWNAPAO-HXUWFJFHSA-N 1 2 379.485 4.070 20 0 GIADLO Cc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)c(OCc2ccccc2)c1 ZINC000122443524 823355395 /nfs/dbraw/zinc/35/53/95/823355395.db2.gz UHCBKXDOFDVYGO-UHFFFAOYSA-N 1 2 378.476 4.325 20 0 GIADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cccc(Cl)c1 ZINC000020944774 818642620 /nfs/dbraw/zinc/64/26/20/818642620.db2.gz HGNMQMNSYKFPJB-GOSISDBHSA-N 1 2 389.879 4.020 20 0 GIADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cccc(Cl)c1 ZINC000020944774 818642623 /nfs/dbraw/zinc/64/26/23/818642623.db2.gz HGNMQMNSYKFPJB-GOSISDBHSA-N 1 2 389.879 4.020 20 0 GIADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1Cl ZINC000020944778 818642681 /nfs/dbraw/zinc/64/26/81/818642681.db2.gz LUMOJPHYARUQDB-SFHVURJKSA-N 1 2 389.879 4.020 20 0 GIADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1Cl ZINC000020944778 818642682 /nfs/dbraw/zinc/64/26/82/818642682.db2.gz LUMOJPHYARUQDB-SFHVURJKSA-N 1 2 389.879 4.020 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000057994207 823353874 /nfs/dbraw/zinc/35/38/74/823353874.db2.gz ZFZMNEFDBVWMHR-NRFANRHFSA-N 1 2 398.457 4.225 20 0 GIADLO CCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000122438601 823354128 /nfs/dbraw/zinc/35/41/28/823354128.db2.gz OLFDAHZMWUPVII-KRWDZBQOSA-N 1 2 380.467 4.363 20 0 GIADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2sc3cc(F)ccc3c2Cl)C[C@@H](C)O1 ZINC000021057127 818650607 /nfs/dbraw/zinc/65/06/07/818650607.db2.gz LOHXXDUEPIHBPO-VXGBXAGGSA-N 1 2 398.931 4.311 20 0 GIADLO CC(C)c1noc2ncc(C(=O)Nc3nc(C[N@@H+]4CCC[C@H](C)C4)cs3)cc21 ZINC000021495328 818695756 /nfs/dbraw/zinc/69/57/56/818695756.db2.gz XWAWTPBMVZVIDH-ZDUSSCGKSA-N 1 2 399.520 4.287 20 0 GIADLO CC(C)c1noc2ncc(C(=O)Nc3nc(C[N@H+]4CCC[C@H](C)C4)cs3)cc21 ZINC000021495328 818695760 /nfs/dbraw/zinc/69/57/60/818695760.db2.gz XWAWTPBMVZVIDH-ZDUSSCGKSA-N 1 2 399.520 4.287 20 0 GIADLO CC(C)(COCc1ccccc1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000409965801 823356831 /nfs/dbraw/zinc/35/68/31/823356831.db2.gz QFGFDSFFIIFYPH-UHFFFAOYSA-N 1 2 395.547 4.168 20 0 GIADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000122456056 823357227 /nfs/dbraw/zinc/35/72/27/823357227.db2.gz NMTHVTAWHPCJQM-MRXNPFEDSA-N 1 2 398.457 4.155 20 0 GIADLO Fc1ccc(-c2nc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)no2)c(F)c1 ZINC000189107031 823358784 /nfs/dbraw/zinc/35/87/84/823358784.db2.gz VKWPLSXCJVMBST-UHFFFAOYSA-N 1 2 395.413 4.271 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000022014910 818763531 /nfs/dbraw/zinc/76/35/31/818763531.db2.gz SHIBHDOOSYOGLU-JKSUJKDBSA-N 1 2 385.895 4.018 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000022014910 818763537 /nfs/dbraw/zinc/76/35/37/818763537.db2.gz SHIBHDOOSYOGLU-JKSUJKDBSA-N 1 2 385.895 4.018 20 0 GIADLO O=C(Cc1ccc(Br)cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289515 818790255 /nfs/dbraw/zinc/79/02/55/818790255.db2.gz GHTYTWDGCGXDSF-UHFFFAOYSA-N 1 2 394.338 4.073 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(Cl)nc2Cl)C[C@@H](C)O1 ZINC000122502203 823364146 /nfs/dbraw/zinc/36/41/46/823364146.db2.gz UXPNAYRVBPOQJR-CHWSQXEVSA-N 1 2 394.302 4.250 20 0 GIADLO C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022498376 818818291 /nfs/dbraw/zinc/81/82/91/818818291.db2.gz GPHYDSLSEHXWKE-OAHLLOKOSA-N 1 2 390.936 4.292 20 0 GIADLO Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000022611700 818833401 /nfs/dbraw/zinc/83/34/01/818833401.db2.gz UJPUJGXIYPFDAI-LJQANCHMSA-N 1 2 394.515 4.371 20 0 GIADLO COc1ccc(OCc2nc(C[NH+]3CCC([C@H]4CCCO4)CC3)cs2)cc1 ZINC000189166993 823369153 /nfs/dbraw/zinc/36/91/53/823369153.db2.gz VFQZYNVHAXESCP-HXUWFJFHSA-N 1 2 388.533 4.122 20 0 GIADLO Clc1ccc(C[NH+]2CCN(Cc3csc(-c4ccccn4)n3)CC2)cc1 ZINC000022847975 818867298 /nfs/dbraw/zinc/86/72/98/818867298.db2.gz MBHCDFWXBPXCEI-UHFFFAOYSA-N 1 2 384.936 4.176 20 0 GIADLO Fc1ccc(-c2nc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)no2)c(F)c1 ZINC000189172147 823369810 /nfs/dbraw/zinc/36/98/10/823369810.db2.gz DIEDHKRBNZPTIP-HXUWFJFHSA-N 1 2 399.397 4.027 20 0 GIADLO Cc1cc(C(C)(C)[NH2+]Cc2nc(CC(F)(F)F)no2)ccc1Br ZINC000572650775 823375669 /nfs/dbraw/zinc/37/56/69/823375669.db2.gz WQPBLXZIDOVXCZ-UHFFFAOYSA-N 1 2 392.219 4.270 20 0 GIADLO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000412066481 823625486 /nfs/dbraw/zinc/62/54/86/823625486.db2.gz LLXGTQXGQKWJMS-LBPRGKRZSA-N 1 2 378.460 4.496 20 0 GIADLO O=C(N1CCC(n2cc[nH+]c2)CC1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000189208643 823376208 /nfs/dbraw/zinc/37/62/08/823376208.db2.gz LLPICKDTFNPMTB-UHFFFAOYSA-N 1 2 377.410 4.088 20 0 GIADLO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000412066481 823625488 /nfs/dbraw/zinc/62/54/88/823625488.db2.gz LLXGTQXGQKWJMS-LBPRGKRZSA-N 1 2 378.460 4.496 20 0 GIADLO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000412066477 823625493 /nfs/dbraw/zinc/62/54/93/823625493.db2.gz LLXGTQXGQKWJMS-GFCCVEGCSA-N 1 2 378.460 4.496 20 0 GIADLO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000412066477 823625495 /nfs/dbraw/zinc/62/54/95/823625495.db2.gz LLXGTQXGQKWJMS-GFCCVEGCSA-N 1 2 378.460 4.496 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2C1 ZINC000024152435 819027794 /nfs/dbraw/zinc/02/77/94/819027794.db2.gz ZTVUOFRDJFRENK-UHFFFAOYSA-N 1 2 377.513 4.292 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2C1 ZINC000024152435 819027804 /nfs/dbraw/zinc/02/78/04/819027804.db2.gz ZTVUOFRDJFRENK-UHFFFAOYSA-N 1 2 377.513 4.292 20 0 GIADLO O[C@H](C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccccc1)c1ccco1 ZINC000177151925 823384411 /nfs/dbraw/zinc/38/44/11/823384411.db2.gz HDAFKPPFHRZUJA-MRXNPFEDSA-N 1 2 381.457 4.127 20 0 GIADLO O[C@H](C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccccc1)c1ccco1 ZINC000177151925 823384416 /nfs/dbraw/zinc/38/44/16/823384416.db2.gz HDAFKPPFHRZUJA-MRXNPFEDSA-N 1 2 381.457 4.127 20 0 GIADLO CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000122617121 823382198 /nfs/dbraw/zinc/38/21/98/823382198.db2.gz PMIJVGUPACNWAV-AAEUAGOBSA-N 1 2 392.468 4.065 20 0 GIADLO O=C(CCC(=O)c1ccc(Cl)cc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000058414438 823387522 /nfs/dbraw/zinc/38/75/22/823387522.db2.gz PGNCHPNKESHYKQ-UHFFFAOYSA-N 1 2 385.895 4.005 20 0 GIADLO O=C(NCc1nc(C[N@H+](CCC(F)(F)F)CC2CC2)cs1)c1ccccc1 ZINC000177164346 823388211 /nfs/dbraw/zinc/38/82/11/823388211.db2.gz DOAUBBWVIPILBP-UHFFFAOYSA-N 1 2 397.466 4.238 20 0 GIADLO O=C(NCc1nc(C[N@@H+](CCC(F)(F)F)CC2CC2)cs1)c1ccccc1 ZINC000177164346 823388216 /nfs/dbraw/zinc/38/82/16/823388216.db2.gz DOAUBBWVIPILBP-UHFFFAOYSA-N 1 2 397.466 4.238 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000177181265 823393161 /nfs/dbraw/zinc/39/31/61/823393161.db2.gz MZAKLHYEMKAYKW-UHFFFAOYSA-N 1 2 377.448 4.022 20 0 GIADLO CC[C@H](c1nnc(SC[C@@H](O)CC(F)(F)F)n1C1CCCCC1)[NH+](C)C ZINC000189319585 823393247 /nfs/dbraw/zinc/39/32/47/823393247.db2.gz VKDFDEJBLRSEPU-UONOGXRCSA-N 1 2 394.507 4.201 20 0 GIADLO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CCCCC[C@H]3c3ccco3)cs2)c1C ZINC000177204727 823398764 /nfs/dbraw/zinc/39/87/64/823398764.db2.gz MMQJJKAVDQQJKS-KRWDZBQOSA-N 1 2 398.532 4.231 20 0 GIADLO Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CCCCC[C@H]3c3ccco3)cs2)c1C ZINC000177204727 823398773 /nfs/dbraw/zinc/39/87/73/823398773.db2.gz MMQJJKAVDQQJKS-KRWDZBQOSA-N 1 2 398.532 4.231 20 0 GIADLO Cc1ccccc1-n1ncc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C(C)C ZINC000189340233 823396937 /nfs/dbraw/zinc/39/69/37/823396937.db2.gz FFOKUWHOZZIZGU-RXVVDRJESA-N 1 2 391.519 4.224 20 0 GIADLO c1n[nH]c([C@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)C2CCCCC2)n1 ZINC000572791116 823399452 /nfs/dbraw/zinc/39/94/52/823399452.db2.gz XPJJXYYGOJRKPI-LJQANCHMSA-N 1 2 396.564 4.294 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccccc2-c2ccccc2)c1C ZINC000058501952 823401057 /nfs/dbraw/zinc/40/10/57/823401057.db2.gz YYJLJAPAVQPKNI-UHFFFAOYSA-N 1 2 396.512 4.195 20 0 GIADLO COc1cccc([C@@H]([NH2+]CC(=O)Nc2ccccc2)c2cc(F)ccc2OC)c1 ZINC000177256285 823411165 /nfs/dbraw/zinc/41/11/65/823411165.db2.gz FANREAHWNGGHHA-HSZRJFAPSA-N 1 2 394.446 4.161 20 0 GIADLO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000058578948 823412272 /nfs/dbraw/zinc/41/22/72/823412272.db2.gz QMPOTXVDJMTIRG-UHFFFAOYSA-N 1 2 381.520 4.265 20 0 GIADLO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000058578948 823412275 /nfs/dbraw/zinc/41/22/75/823412275.db2.gz QMPOTXVDJMTIRG-UHFFFAOYSA-N 1 2 381.520 4.265 20 0 GIADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000122793725 823413168 /nfs/dbraw/zinc/41/31/68/823413168.db2.gz ZHAIZSOWGFRHTO-QGZVFWFLSA-N 1 2 395.890 4.457 20 0 GIADLO O=C(c1cc(-c2cccc(F)c2)no1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000572857853 823410000 /nfs/dbraw/zinc/41/00/00/823410000.db2.gz HSSIXJFKSXWUKZ-INIZCTEOSA-N 1 2 394.450 4.033 20 0 GIADLO COc1ccccc1CN(C)C(=O)C[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000058562918 823410048 /nfs/dbraw/zinc/41/00/48/823410048.db2.gz LEDHNLCYKWKFTC-OXJNMPFZSA-N 1 2 382.504 4.035 20 0 GIADLO COc1ccccc1CN(C)C(=O)C[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000058562918 823410049 /nfs/dbraw/zinc/41/00/49/823410049.db2.gz LEDHNLCYKWKFTC-OXJNMPFZSA-N 1 2 382.504 4.035 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(C)cc2Br)c1C ZINC000058605500 823415735 /nfs/dbraw/zinc/41/57/35/823415735.db2.gz LURYKTUJKNWITB-UHFFFAOYSA-N 1 2 392.297 4.442 20 0 GIADLO CCOc1ccc(-c2nc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cs2)cc1 ZINC000122826020 823418956 /nfs/dbraw/zinc/41/89/56/823418956.db2.gz YYBBKYCVARTSAB-KXBFYZLASA-N 1 2 396.516 4.129 20 0 GIADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000410212578 823421438 /nfs/dbraw/zinc/42/14/38/823421438.db2.gz BNXVYJYJTHTRMU-LJQANCHMSA-N 1 2 391.515 4.447 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(COCC3CC3)c2)c1C ZINC000058645599 823423610 /nfs/dbraw/zinc/42/36/10/823423610.db2.gz ASXNULXZDLDHSP-UHFFFAOYSA-N 1 2 383.492 4.298 20 0 GIADLO CC(C)[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cc1 ZINC000410210834 823421250 /nfs/dbraw/zinc/42/12/50/823421250.db2.gz UIGODWYPXUJXKG-FQEVSTJZSA-N 1 2 384.430 4.347 20 0 GIADLO CC(C)CCOc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000024746959 819871846 /nfs/dbraw/zinc/87/18/46/819871846.db2.gz SFYLIVPBHDIBBL-UHFFFAOYSA-N 1 2 377.488 4.286 20 0 GIADLO O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410257736 823436825 /nfs/dbraw/zinc/43/68/25/823436825.db2.gz SASOPKIHQQGYOX-SFTDATJTSA-N 1 2 393.531 4.133 20 0 GIADLO CCC[C@H](NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000025055141 819916221 /nfs/dbraw/zinc/91/62/21/819916221.db2.gz IBEPGTHKHBINMC-QFIPXVFZSA-N 1 2 378.516 4.239 20 0 GIADLO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](CC)c1nc(C)cs1)n2CC ZINC000573041007 823438308 /nfs/dbraw/zinc/43/83/08/823438308.db2.gz ZUTBMZKICAZXFW-HNNXBMFYSA-N 1 2 386.521 4.239 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2Br)C2CC2)cc1 ZINC000025196292 819942284 /nfs/dbraw/zinc/94/22/84/819942284.db2.gz ZSAUCKGRHQOUHG-UHFFFAOYSA-N 1 2 391.284 4.112 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2Br)C2CC2)cc1 ZINC000025196292 819942288 /nfs/dbraw/zinc/94/22/88/819942288.db2.gz ZSAUCKGRHQOUHG-UHFFFAOYSA-N 1 2 391.284 4.112 20 0 GIADLO O[C@@H](COc1cccc2ccccc21)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000025228637 819947137 /nfs/dbraw/zinc/94/71/37/819947137.db2.gz OGAYJZBYMVYROY-LJQANCHMSA-N 1 2 377.440 4.468 20 0 GIADLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1OC(F)(F)F)c1ccc(F)cc1 ZINC000025244525 819949375 /nfs/dbraw/zinc/94/93/75/819949375.db2.gz NCKRERHIHCYPSR-CYBMUJFWSA-N 1 2 384.373 4.034 20 0 GIADLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1OC(F)(F)F)c1ccc(F)cc1 ZINC000025244525 819949382 /nfs/dbraw/zinc/94/93/82/819949382.db2.gz NCKRERHIHCYPSR-CYBMUJFWSA-N 1 2 384.373 4.034 20 0 GIADLO O=C([C@H]1CCOc2ccc(Cl)cc21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410268032 823441688 /nfs/dbraw/zinc/44/16/88/823441688.db2.gz ABWOHJFGNHTIGQ-QAPCUYQASA-N 1 2 399.922 4.145 20 0 GIADLO C[C@]1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCc2ccccc2C1 ZINC000410267899 823441785 /nfs/dbraw/zinc/44/17/85/823441785.db2.gz IJKBIPQDDRNZAH-RDPSFJRHSA-N 1 2 377.532 4.121 20 0 GIADLO O=C(c1ccc(-n2cccc2)c(F)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410269279 823442322 /nfs/dbraw/zinc/44/23/22/823442322.db2.gz NLRJWVCSSILOHR-GOSISDBHSA-N 1 2 392.478 4.169 20 0 GIADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)Nc1cccc(Br)c1 ZINC000025416000 819976971 /nfs/dbraw/zinc/97/69/71/819976971.db2.gz ICELKWNPMYQBGG-HXUWFJFHSA-N 1 2 396.288 4.162 20 0 GIADLO O=C(NCc1cc2c(s1)CCCC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000573063609 823442966 /nfs/dbraw/zinc/44/29/66/823442966.db2.gz SSAFLJPQBHHBLX-UHFFFAOYSA-N 1 2 398.576 4.249 20 0 GIADLO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c(OC)cc1Cl ZINC000025445728 819981573 /nfs/dbraw/zinc/98/15/73/819981573.db2.gz DDSJZHOPKIXCSI-KRWDZBQOSA-N 1 2 392.858 4.272 20 0 GIADLO COc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c(OC)cc1Cl ZINC000025445728 819981578 /nfs/dbraw/zinc/98/15/78/819981578.db2.gz DDSJZHOPKIXCSI-KRWDZBQOSA-N 1 2 392.858 4.272 20 0 GIADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025534091 819998688 /nfs/dbraw/zinc/99/86/88/819998688.db2.gz PNWNFBDCKDSOJR-CQSZACIVSA-N 1 2 396.409 4.443 20 0 GIADLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025534091 819998691 /nfs/dbraw/zinc/99/86/91/819998691.db2.gz PNWNFBDCKDSOJR-CQSZACIVSA-N 1 2 396.409 4.443 20 0 GIADLO O=C(CCOc1ccccc1Cl)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410274401 823444452 /nfs/dbraw/zinc/44/44/52/823444452.db2.gz UQWIYWOHSZNQCR-MRXNPFEDSA-N 1 2 387.911 4.048 20 0 GIADLO CC(C)(C)Oc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410277119 823445458 /nfs/dbraw/zinc/44/54/58/823445458.db2.gz VPVQAFFQLZHZQB-GOSISDBHSA-N 1 2 381.520 4.417 20 0 GIADLO O=C(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281370 823447226 /nfs/dbraw/zinc/44/72/26/823447226.db2.gz ILDDVXZKPMGNQM-CYBMUJFWSA-N 1 2 395.400 4.397 20 0 GIADLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c(C)c1C ZINC000177400220 823453803 /nfs/dbraw/zinc/45/38/03/823453803.db2.gz OVCCGKZAOACGHK-OAHLLOKOSA-N 1 2 376.547 4.411 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C)cc3)o2)c1 ZINC000025926914 820040653 /nfs/dbraw/zinc/04/06/53/820040653.db2.gz RDFNNBOZDRSLFR-LJQANCHMSA-N 1 2 379.460 4.399 20 0 GIADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C)cc3)o2)c1 ZINC000025926914 820040661 /nfs/dbraw/zinc/04/06/61/820040661.db2.gz RDFNNBOZDRSLFR-LJQANCHMSA-N 1 2 379.460 4.399 20 0 GIADLO C[C@@H]1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123048371 823453280 /nfs/dbraw/zinc/45/32/80/823453280.db2.gz CVBZEOWAOOMHDQ-CJNGLKHVSA-N 1 2 383.439 4.104 20 0 GIADLO COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000573106155 823448761 /nfs/dbraw/zinc/44/87/61/823448761.db2.gz IOWKSJUCYCXWCQ-NLSFWIRASA-N 1 2 389.499 4.354 20 0 GIADLO COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000573106155 823448764 /nfs/dbraw/zinc/44/87/64/823448764.db2.gz IOWKSJUCYCXWCQ-NLSFWIRASA-N 1 2 389.499 4.354 20 0 GIADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000026124868 820062194 /nfs/dbraw/zinc/06/21/94/820062194.db2.gz MTNNDXQVNCTDOY-HXUWFJFHSA-N 1 2 399.922 4.254 20 0 GIADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000026124868 820062203 /nfs/dbraw/zinc/06/22/03/820062203.db2.gz MTNNDXQVNCTDOY-HXUWFJFHSA-N 1 2 399.922 4.254 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1ccccc1C(F)(F)F ZINC000177398316 823453356 /nfs/dbraw/zinc/45/33/56/823453356.db2.gz CLHVHJBZWZOVTM-ZDUSSCGKSA-N 1 2 396.434 4.443 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)Nc1ccccc1C(F)(F)F ZINC000177398316 823453361 /nfs/dbraw/zinc/45/33/61/823453361.db2.gz CLHVHJBZWZOVTM-ZDUSSCGKSA-N 1 2 396.434 4.443 20 0 GIADLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(C(=O)OC)o1 ZINC000026228970 820072582 /nfs/dbraw/zinc/07/25/82/820072582.db2.gz VSNWAPJLOMGVNQ-UHFFFAOYSA-N 1 2 399.274 4.224 20 0 GIADLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(C(=O)OC)o1 ZINC000026228970 820072592 /nfs/dbraw/zinc/07/25/92/820072592.db2.gz VSNWAPJLOMGVNQ-UHFFFAOYSA-N 1 2 399.274 4.224 20 0 GIADLO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026303374 820080349 /nfs/dbraw/zinc/08/03/49/820080349.db2.gz COZUPWGUOGWKSV-UHFFFAOYSA-N 1 2 380.536 4.321 20 0 GIADLO C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410290730 823451376 /nfs/dbraw/zinc/45/13/76/823451376.db2.gz PBOHRFZVPDUVMN-JKSUJKDBSA-N 1 2 387.911 4.046 20 0 GIADLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c(C)c1C ZINC000177400220 823453797 /nfs/dbraw/zinc/45/37/97/823453797.db2.gz OVCCGKZAOACGHK-OAHLLOKOSA-N 1 2 376.547 4.411 20 0 GIADLO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000026470768 820100692 /nfs/dbraw/zinc/10/06/92/820100692.db2.gz GXAKYCSZLYLYQR-RTBURBONSA-N 1 2 391.515 4.129 20 0 GIADLO Cc1ccc(C[N@H+](C)CN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)cc1 ZINC000026552450 820113257 /nfs/dbraw/zinc/11/32/57/820113257.db2.gz IHGUMSAYOAEOBU-UHFFFAOYSA-N 1 2 391.515 4.033 20 0 GIADLO Cc1ccc(C[N@@H+](C)CN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)cc1 ZINC000026552450 820113264 /nfs/dbraw/zinc/11/32/64/820113264.db2.gz IHGUMSAYOAEOBU-UHFFFAOYSA-N 1 2 391.515 4.033 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000026643217 820127400 /nfs/dbraw/zinc/12/74/00/820127400.db2.gz SVXWFHMWXISUBE-SFHVURJKSA-N 1 2 394.515 4.234 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccc2ccc(Cl)cc2n1 ZINC000177411482 823455820 /nfs/dbraw/zinc/45/58/20/823455820.db2.gz QFLSYEDIWJBUFK-UHFFFAOYSA-N 1 2 390.874 4.106 20 0 GIADLO COc1ccc([C@H](NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)C2CC2)cc1 ZINC000026811856 820147874 /nfs/dbraw/zinc/14/78/74/820147874.db2.gz BAGKCBTZOLRWNW-LJQANCHMSA-N 1 2 378.925 4.109 20 0 GIADLO COc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)C2CC2)cc1 ZINC000026811856 820147882 /nfs/dbraw/zinc/14/78/82/820147882.db2.gz BAGKCBTZOLRWNW-LJQANCHMSA-N 1 2 378.925 4.109 20 0 GIADLO O=C(Nc1ccc(OC(F)F)c(F)c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058811930 823456546 /nfs/dbraw/zinc/45/65/46/823456546.db2.gz CUIJOWACKXKEOS-KRWDZBQOSA-N 1 2 396.434 4.156 20 0 GIADLO C[N@@H+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@H](c2ccccc2)C1 ZINC000026937203 820165724 /nfs/dbraw/zinc/16/57/24/820165724.db2.gz GEJXTJCICSNISH-IBGZPJMESA-N 1 2 381.863 4.124 20 0 GIADLO C[N@H+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@H](c2ccccc2)C1 ZINC000026937203 820165728 /nfs/dbraw/zinc/16/57/28/820165728.db2.gz GEJXTJCICSNISH-IBGZPJMESA-N 1 2 381.863 4.124 20 0 GIADLO CC[NH+](CC)Cc1nc(C2(NCc3csc(C(C)(C)C)n3)CCCC2)no1 ZINC000123077582 823458156 /nfs/dbraw/zinc/45/81/56/823458156.db2.gz VBTMOVSUXRBVJY-UHFFFAOYSA-N 1 2 391.585 4.225 20 0 GIADLO COc1cccc(NC(=O)[C@H]([NH2+]Cc2cc(F)cc(F)c2)c2ccccc2)c1 ZINC000026996374 820176385 /nfs/dbraw/zinc/17/63/85/820176385.db2.gz ITSFJCUWDGYDPW-OAQYLSRUSA-N 1 2 382.410 4.443 20 0 GIADLO O=C(Nc1ccc(N2CCCC2)c(F)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058820106 823458709 /nfs/dbraw/zinc/45/87/09/823458709.db2.gz FRVLQWXAQIIVEO-OAQYLSRUSA-N 1 2 399.535 4.155 20 0 GIADLO O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410307969 823458730 /nfs/dbraw/zinc/45/87/30/823458730.db2.gz MSWBLOUZEDSYPQ-RZTXVSJASA-N 1 2 389.543 4.220 20 0 GIADLO O=C(c1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000410311671 823459730 /nfs/dbraw/zinc/45/97/30/823459730.db2.gz YUNGZQAPBGPLSG-UHFFFAOYSA-N 1 2 399.416 4.212 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(Br)s1 ZINC000410314360 823460513 /nfs/dbraw/zinc/46/05/13/823460513.db2.gz IXPFYFALMCLREW-UHFFFAOYSA-N 1 2 394.338 4.216 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ncc(C(C)(C)C)o1 ZINC000177430233 823460587 /nfs/dbraw/zinc/46/05/87/823460587.db2.gz HBAOUISRSZTAPH-HUUCEWRRSA-N 1 2 385.508 4.041 20 0 GIADLO COCc1c2ccccc2oc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410315588 823460665 /nfs/dbraw/zinc/46/06/65/823460665.db2.gz WFRJTTBTBNICRY-UHFFFAOYSA-N 1 2 393.487 4.285 20 0 GIADLO O=C(Nc1cc(F)ccc1F)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000058845551 823461663 /nfs/dbraw/zinc/46/16/63/823461663.db2.gz CHUFSXABQZSRJS-UHFFFAOYSA-N 1 2 399.363 4.333 20 0 GIADLO Cc1ccc(C[N@H+](C)CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)o1 ZINC000027350469 820229370 /nfs/dbraw/zinc/22/93/70/820229370.db2.gz WQANQVYPAMXJNM-UHFFFAOYSA-N 1 2 381.501 4.041 20 0 GIADLO Cc1ccc(C[N@@H+](C)CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)o1 ZINC000027350469 820229375 /nfs/dbraw/zinc/22/93/75/820229375.db2.gz WQANQVYPAMXJNM-UHFFFAOYSA-N 1 2 381.501 4.041 20 0 GIADLO O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000027363820 820232272 /nfs/dbraw/zinc/23/22/72/820232272.db2.gz XOASSQIISYDQSC-QFIPXVFZSA-N 1 2 391.540 4.246 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1Cc1ccccc1 ZINC000027483863 820250562 /nfs/dbraw/zinc/25/05/62/820250562.db2.gz LGGFXVVXCBAKHL-UHFFFAOYSA-N 1 2 395.506 4.495 20 0 GIADLO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000027558118 820259830 /nfs/dbraw/zinc/25/98/30/820259830.db2.gz LDQQVYCOHHMZGS-DNVCBOLYSA-N 1 2 395.434 4.382 20 0 GIADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000027558118 820259837 /nfs/dbraw/zinc/25/98/37/820259837.db2.gz LDQQVYCOHHMZGS-DNVCBOLYSA-N 1 2 395.434 4.382 20 0 GIADLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000027610899 820266975 /nfs/dbraw/zinc/26/69/75/820266975.db2.gz YVJKMYBJERHWER-UHFFFAOYSA-N 1 2 393.531 4.019 20 0 GIADLO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000027673855 820273513 /nfs/dbraw/zinc/27/35/13/820273513.db2.gz NIFBKUSJPVARGG-SFHVURJKSA-N 1 2 398.890 4.025 20 0 GIADLO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000027673855 820273521 /nfs/dbraw/zinc/27/35/21/820273521.db2.gz NIFBKUSJPVARGG-SFHVURJKSA-N 1 2 398.890 4.025 20 0 GIADLO COc1cccc(NC(=O)[C@H]([NH2+]Cc2cc(C)ccc2OC)c2ccccc2)c1 ZINC000028374575 820330079 /nfs/dbraw/zinc/33/00/79/820330079.db2.gz ZTHXJBVEVLMGMO-HSZRJFAPSA-N 1 2 390.483 4.482 20 0 GIADLO CCCCCOc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000028694970 820352330 /nfs/dbraw/zinc/35/23/30/820352330.db2.gz UTNZCUZYDKEIIR-UHFFFAOYSA-N 1 2 377.488 4.430 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(OCC(F)(F)F)cc1 ZINC000028933625 820375462 /nfs/dbraw/zinc/37/54/62/820375462.db2.gz VJMRRVXHHKJNQT-UHFFFAOYSA-N 1 2 399.438 4.322 20 0 GIADLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3nccc4sccc43)CC2)c1C ZINC000573283658 823475585 /nfs/dbraw/zinc/47/55/85/823475585.db2.gz XTPVJLUVFHUMSI-QGZVFWFLSA-N 1 2 394.544 4.062 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c1C ZINC000058958293 823476417 /nfs/dbraw/zinc/47/64/17/823476417.db2.gz OIWQVQPOQWDSHX-UHFFFAOYSA-N 1 2 399.491 4.326 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177497590 823476864 /nfs/dbraw/zinc/47/68/64/823476864.db2.gz YJYXNFGIXXPGAE-UHFFFAOYSA-N 1 2 394.943 4.267 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189704119 823479266 /nfs/dbraw/zinc/47/92/66/823479266.db2.gz HITPJGUCUZLHBO-NZQKXSOJSA-N 1 2 388.515 4.142 20 0 GIADLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000573327810 823480485 /nfs/dbraw/zinc/48/04/85/823480485.db2.gz WANRGNKTQSKWNY-MNEFBYGVSA-N 1 2 391.437 4.259 20 0 GIADLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000029655285 820494225 /nfs/dbraw/zinc/49/42/25/820494225.db2.gz DQTTXVMYZZMNIU-INIZCTEOSA-N 1 2 391.437 4.294 20 0 GIADLO Cc1noc(CSc2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2)n1 ZINC000029910131 820546104 /nfs/dbraw/zinc/54/61/04/820546104.db2.gz GFRLKDIVVKJKNB-UHFFFAOYSA-N 1 2 391.456 4.108 20 0 GIADLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)c1 ZINC000030019545 820570379 /nfs/dbraw/zinc/57/03/79/820570379.db2.gz ZTTCQTDYOGZJAI-UHFFFAOYSA-N 1 2 378.447 4.352 20 0 GIADLO C[N@@H+]1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)[C@H](c2ccccc2)C1 ZINC000030030431 820571691 /nfs/dbraw/zinc/57/16/91/820571691.db2.gz ODZXYCUIVKDTCC-IBGZPJMESA-N 1 2 390.508 4.436 20 0 GIADLO C[N@H+]1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)[C@H](c2ccccc2)C1 ZINC000030030431 820571697 /nfs/dbraw/zinc/57/16/97/820571697.db2.gz ODZXYCUIVKDTCC-IBGZPJMESA-N 1 2 390.508 4.436 20 0 GIADLO O=C(CSCc1ccc(Cl)cc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030219654 820588831 /nfs/dbraw/zinc/58/88/31/820588831.db2.gz FSAUULQKUVXLKW-UHFFFAOYSA-N 1 2 385.920 4.134 20 0 GIADLO O=C(CCSc1ccc(Cl)cc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030220764 820588921 /nfs/dbraw/zinc/58/89/21/820588921.db2.gz HYLKFADTEVGOSX-UHFFFAOYSA-N 1 2 385.920 4.383 20 0 GIADLO Cc1nc(-c2ccccc2)c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000030218640 820589076 /nfs/dbraw/zinc/58/90/76/820589076.db2.gz UGQFSVDKZARDNZ-UHFFFAOYSA-N 1 2 388.496 4.293 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1COc1ccccc1 ZINC000030218398 820589096 /nfs/dbraw/zinc/58/90/96/820589096.db2.gz PVQKMWCTGGIXEA-UHFFFAOYSA-N 1 2 397.478 4.440 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1)NCc1ccccc1F ZINC000059390622 823494943 /nfs/dbraw/zinc/49/49/43/823494943.db2.gz SMPRXLVSUDJSKV-GOSISDBHSA-N 1 2 391.284 4.042 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Br)c1)NCc1ccccc1F ZINC000059390622 823494946 /nfs/dbraw/zinc/49/49/46/823494946.db2.gz SMPRXLVSUDJSKV-GOSISDBHSA-N 1 2 391.284 4.042 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(Cl)ccc1Br ZINC000030610241 820650225 /nfs/dbraw/zinc/65/02/25/820650225.db2.gz LKGFSMMMZHIDNL-UHFFFAOYSA-N 1 2 394.700 4.028 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000177588348 823497124 /nfs/dbraw/zinc/49/71/24/823497124.db2.gz CEPWYKAZQOUUEK-CXAGYDPISA-N 1 2 395.429 4.083 20 0 GIADLO Fc1ccc(Br)cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177595300 823498128 /nfs/dbraw/zinc/49/81/28/823498128.db2.gz BDXRRASXCTXIBM-KRWDZBQOSA-N 1 2 386.305 4.138 20 0 GIADLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(Br)o1 ZINC000030974051 820713789 /nfs/dbraw/zinc/71/37/89/820713789.db2.gz OJZHKBZYTHBVFL-NWDGAFQWSA-N 1 2 399.716 4.393 20 0 GIADLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030974051 820713803 /nfs/dbraw/zinc/71/38/03/820713803.db2.gz OJZHKBZYTHBVFL-NWDGAFQWSA-N 1 2 399.716 4.393 20 0 GIADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Oc2ccccc2)o1 ZINC000177601045 823499398 /nfs/dbraw/zinc/49/93/98/823499398.db2.gz XHHWULNAMZHFPT-UHFFFAOYSA-N 1 2 378.428 4.156 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000177604481 823499715 /nfs/dbraw/zinc/49/97/15/823499715.db2.gz YDAFWEVEIDLSAV-DYVFJYSZSA-N 1 2 381.505 4.485 20 0 GIADLO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(Br)cc2Cl)CC1 ZINC000060876796 823564285 /nfs/dbraw/zinc/56/42/85/823564285.db2.gz DNNIQKSBZKNCFS-UHFFFAOYSA-N 1 2 398.732 4.025 20 0 GIADLO COc1ccc(-c2ccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)cc2)cc1 ZINC000177633720 823505105 /nfs/dbraw/zinc/50/51/05/823505105.db2.gz CVFZBVWWJHXJRL-UHFFFAOYSA-N 1 2 386.455 4.009 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2O)C[C@H]1n1cc[nH+]c1 ZINC000123367857 823502279 /nfs/dbraw/zinc/50/22/79/823502279.db2.gz LGSSAMLQFHTHJW-OXQOHEQNSA-N 1 2 377.444 4.104 20 0 GIADLO C[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[NH+]1CCN(c2ccccc2)CC1 ZINC000031643274 820837538 /nfs/dbraw/zinc/83/75/38/820837538.db2.gz YHCSHQAEKSSDPW-FVQJWRHTSA-N 1 2 392.330 4.329 20 0 GIADLO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCS[C@H](C(C)C)C2)cs1 ZINC000177658246 823508968 /nfs/dbraw/zinc/50/89/68/823508968.db2.gz PQJPABABJHAWEY-SFHVURJKSA-N 1 2 389.590 4.206 20 0 GIADLO Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCS[C@H](C(C)C)C2)cs1 ZINC000177658246 823508971 /nfs/dbraw/zinc/50/89/71/823508971.db2.gz PQJPABABJHAWEY-SFHVURJKSA-N 1 2 389.590 4.206 20 0 GIADLO Cc1noc(C(C)C)c1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031891098 820870620 /nfs/dbraw/zinc/87/06/20/820870620.db2.gz CKYRNERUNVOLSH-MRXNPFEDSA-N 1 2 393.890 4.466 20 0 GIADLO COc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031896155 820872302 /nfs/dbraw/zinc/87/23/02/820872302.db2.gz KYFLUUYKCDSYNL-GOSISDBHSA-N 1 2 376.859 4.055 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000123461936 823511413 /nfs/dbraw/zinc/51/14/13/823511413.db2.gz JYEWLTWJCINTQS-CJNGLKHVSA-N 1 2 386.908 4.383 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)Cc1cccc(F)c1 ZINC000032510792 820963213 /nfs/dbraw/zinc/96/32/13/820963213.db2.gz AXHNTYMYORNCBF-SFHVURJKSA-N 1 2 397.475 4.290 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)Cc1cccc(F)c1 ZINC000032510792 820963219 /nfs/dbraw/zinc/96/32/19/820963219.db2.gz AXHNTYMYORNCBF-SFHVURJKSA-N 1 2 397.475 4.290 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000123539962 823519327 /nfs/dbraw/zinc/51/93/27/823519327.db2.gz VHIXUISXXJWXEE-UHFFFAOYSA-N 1 2 399.882 4.065 20 0 GIADLO Cc1cccn2cc(CC(=O)NCC3(c4ccc(F)cc4)CCCCC3)[nH+]c12 ZINC000060358817 823519513 /nfs/dbraw/zinc/51/95/13/823519513.db2.gz VDBSDVZSHXYODK-UHFFFAOYSA-N 1 2 379.479 4.343 20 0 GIADLO COc1cccc(CNC(=O)[C@H](C)[NH+]2Cc3ccccc3-c3ccccc3C2)c1 ZINC000060361281 823519743 /nfs/dbraw/zinc/51/97/43/823519743.db2.gz ZBGQNDCYWDGGEZ-SFHVURJKSA-N 1 2 386.495 4.383 20 0 GIADLO O=C([C@H]1CCSc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000460814095 823519938 /nfs/dbraw/zinc/51/99/38/823519938.db2.gz FSZOWHNUNPCFKH-JLXBBBJOSA-N 1 2 378.541 4.124 20 0 GIADLO O=C(N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000123550956 823520429 /nfs/dbraw/zinc/52/04/29/823520429.db2.gz BXUNRFOMVSMAFZ-KNQAVFIVSA-N 1 2 391.540 4.292 20 0 GIADLO Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177753324 823520845 /nfs/dbraw/zinc/52/08/45/823520845.db2.gz WDVGDTRZJWWOKY-UHFFFAOYSA-N 1 2 385.471 4.123 20 0 GIADLO O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000460820404 823521724 /nfs/dbraw/zinc/52/17/24/823521724.db2.gz YVIDMCVYXJWECB-DAXSKMNVSA-N 1 2 389.474 4.292 20 0 GIADLO O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000460820405 823521834 /nfs/dbraw/zinc/52/18/34/823521834.db2.gz YVIDMCVYXJWECB-QPJJXVBHSA-N 1 2 389.474 4.292 20 0 GIADLO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000033230540 821052002 /nfs/dbraw/zinc/05/20/02/821052002.db2.gz XWAYLQXDWPSMNB-JKSUJKDBSA-N 1 2 399.560 4.270 20 0 GIADLO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000033230540 821052011 /nfs/dbraw/zinc/05/20/11/821052011.db2.gz XWAYLQXDWPSMNB-JKSUJKDBSA-N 1 2 399.560 4.270 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)/C=C/c1ccccc1 ZINC000060442259 823528163 /nfs/dbraw/zinc/52/81/63/823528163.db2.gz HOQPYNZXXUZKSD-BUHFOSPRSA-N 1 2 389.499 4.414 20 0 GIADLO CCC[N@H+](CC1CCCCC1)Cn1nc(N(C(C)=O)C2CC2)sc1=S ZINC000060445668 823528706 /nfs/dbraw/zinc/52/87/06/823528706.db2.gz HBCRBSVCEGMDKL-UHFFFAOYSA-N 1 2 382.599 4.439 20 0 GIADLO CCC[N@@H+](CC1CCCCC1)Cn1nc(N(C(C)=O)C2CC2)sc1=S ZINC000060445668 823528708 /nfs/dbraw/zinc/52/87/08/823528708.db2.gz HBCRBSVCEGMDKL-UHFFFAOYSA-N 1 2 382.599 4.439 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@@H]1CCCc2sccc21 ZINC000123650406 823529211 /nfs/dbraw/zinc/52/92/11/823529211.db2.gz YYVJNOKVEGFUAM-MRXNPFEDSA-N 1 2 382.489 4.223 20 0 GIADLO CCCOc1ccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000190037281 823529286 /nfs/dbraw/zinc/52/92/86/823529286.db2.gz WLAFQBLUKXDROP-UHFFFAOYSA-N 1 2 392.503 4.028 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037127837 821090706 /nfs/dbraw/zinc/09/07/06/821090706.db2.gz SHIBHDOOSYOGLU-CVEARBPZSA-N 1 2 385.895 4.018 20 0 GIADLO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037127837 821090713 /nfs/dbraw/zinc/09/07/13/821090713.db2.gz SHIBHDOOSYOGLU-CVEARBPZSA-N 1 2 385.895 4.018 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000177793507 823526904 /nfs/dbraw/zinc/52/69/04/823526904.db2.gz QDBYIDJUXFARHL-UHFFFAOYSA-N 1 2 388.393 4.232 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CCSc4ccccc43)CC2)c1 ZINC000460879419 823534934 /nfs/dbraw/zinc/53/49/34/823534934.db2.gz XHLXRYUPMIYHRL-UTKZUKDTSA-N 1 2 396.556 4.180 20 0 GIADLO O=C(CCOc1ccccc1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000041530926 821205917 /nfs/dbraw/zinc/20/59/17/821205917.db2.gz UPHBFFHBIQXISH-UHFFFAOYSA-N 1 2 393.512 4.109 20 0 GIADLO O=C(CCOc1ccccc1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000041530926 821205928 /nfs/dbraw/zinc/20/59/28/821205928.db2.gz UPHBFFHBIQXISH-UHFFFAOYSA-N 1 2 393.512 4.109 20 0 GIADLO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000123742287 823536628 /nfs/dbraw/zinc/53/66/28/823536628.db2.gz RNCGELVUNIRYGT-DENIHFKCSA-N 1 2 388.515 4.327 20 0 GIADLO CCCOc1ccc(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000190100535 823537455 /nfs/dbraw/zinc/53/74/55/823537455.db2.gz PUFMMGGJHHFGEF-UHFFFAOYSA-N 1 2 392.503 4.028 20 0 GIADLO C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000460912645 823540987 /nfs/dbraw/zinc/54/09/87/823540987.db2.gz UOMLGBOYPQDZPA-LBPRGKRZSA-N 1 2 386.249 4.245 20 0 GIADLO S=c1n(C[N@H+](C2CC2)C2CCCC2)nc(-c2cccnc2)n1Cc1ccco1 ZINC000042094434 821264145 /nfs/dbraw/zinc/26/41/45/821264145.db2.gz ICFMHFYNOGUYFF-UHFFFAOYSA-N 1 2 395.532 4.482 20 0 GIADLO S=c1n(C[N@@H+](C2CC2)C2CCCC2)nc(-c2cccnc2)n1Cc1ccco1 ZINC000042094434 821264150 /nfs/dbraw/zinc/26/41/50/821264150.db2.gz ICFMHFYNOGUYFF-UHFFFAOYSA-N 1 2 395.532 4.482 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000042404401 821307153 /nfs/dbraw/zinc/30/71/53/821307153.db2.gz PRJZHGOJGSKIHP-UHFFFAOYSA-N 1 2 389.908 4.485 20 0 GIADLO COc1ccc([C@@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)C2CC2)cc1 ZINC000042476584 821308498 /nfs/dbraw/zinc/30/84/98/821308498.db2.gz KMHADTBAUNSONC-QFIPXVFZSA-N 1 2 395.528 4.152 20 0 GIADLO O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000042567820 821311071 /nfs/dbraw/zinc/31/10/71/821311071.db2.gz ZXDNJBYVUOAYKM-UZCSHQTLSA-N 1 2 380.454 4.213 20 0 GIADLO CCCc1nc(C)c(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)s1 ZINC000042858826 821339158 /nfs/dbraw/zinc/33/91/58/821339158.db2.gz APTAHQPPUDVZRS-LBPRGKRZSA-N 1 2 378.567 4.345 20 0 GIADLO CCCc1nc(C)c(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)s1 ZINC000042858826 821339167 /nfs/dbraw/zinc/33/91/67/821339167.db2.gz APTAHQPPUDVZRS-LBPRGKRZSA-N 1 2 378.567 4.345 20 0 GIADLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(-c2ccccc2)n1 ZINC000180644875 821380586 /nfs/dbraw/zinc/38/05/86/821380586.db2.gz SCZXHCNBRUCHMJ-FQEVSTJZSA-N 1 2 399.441 4.262 20 0 GIADLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(-c2ccccc2)n1 ZINC000180644875 821380593 /nfs/dbraw/zinc/38/05/93/821380593.db2.gz SCZXHCNBRUCHMJ-FQEVSTJZSA-N 1 2 399.441 4.262 20 0 GIADLO CSc1ccccc1NC(=O)[C@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000043305600 821388830 /nfs/dbraw/zinc/38/88/30/821388830.db2.gz UCZFZWVLJSGNPC-BLRBJFNZSA-N 1 2 395.572 4.067 20 0 GIADLO Cc1cc([C@@H]2CCCN2C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)no1 ZINC000043546304 821424182 /nfs/dbraw/zinc/42/41/82/821424182.db2.gz VELDIESNMJAFLE-GUYCJALGSA-N 1 2 389.525 4.040 20 0 GIADLO Cc1cc([C@@H]2CCCN2C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)no1 ZINC000043546304 821424188 /nfs/dbraw/zinc/42/41/88/821424188.db2.gz VELDIESNMJAFLE-GUYCJALGSA-N 1 2 389.525 4.040 20 0 GIADLO COc1cccc(CN(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000043547443 821424569 /nfs/dbraw/zinc/42/45/69/821424569.db2.gz WPQNRGCJMKWZOP-HNNXBMFYSA-N 1 2 388.537 4.048 20 0 GIADLO COc1cccc(CN(C)C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000043547443 821424573 /nfs/dbraw/zinc/42/45/73/821424573.db2.gz WPQNRGCJMKWZOP-HNNXBMFYSA-N 1 2 388.537 4.048 20 0 GIADLO COc1ccc(OC)c(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)c1 ZINC000043631194 821432430 /nfs/dbraw/zinc/43/24/30/821432430.db2.gz HFNFHOIIIXQTOE-UHFFFAOYSA-N 1 2 385.895 4.200 20 0 GIADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000180756893 821436698 /nfs/dbraw/zinc/43/66/98/821436698.db2.gz UUJXOGRRULFDAN-QHCPKHFHSA-N 1 2 393.531 4.199 20 0 GIADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000180756893 821436704 /nfs/dbraw/zinc/43/67/04/821436704.db2.gz UUJXOGRRULFDAN-QHCPKHFHSA-N 1 2 393.531 4.199 20 0 GIADLO C[C@H]1CCc2c(sc3nc(C[N@@H+]4CCC[C@@H]4c4ccncc4)nc(N)c23)C1 ZINC000180765315 821441995 /nfs/dbraw/zinc/44/19/95/821441995.db2.gz ULEFRTGOGZMNHB-XJKSGUPXSA-N 1 2 379.533 4.130 20 0 GIADLO C[C@H]1CCc2c(sc3nc(C[N@H+]4CCC[C@@H]4c4ccncc4)nc(N)c23)C1 ZINC000180765315 821442001 /nfs/dbraw/zinc/44/20/01/821442001.db2.gz ULEFRTGOGZMNHB-XJKSGUPXSA-N 1 2 379.533 4.130 20 0 GIADLO CCOc1cccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1OC(F)F ZINC000180791143 821460755 /nfs/dbraw/zinc/46/07/55/821460755.db2.gz ILZMFCNJAZMQKY-UHFFFAOYSA-N 1 2 393.356 4.071 20 0 GIADLO CCOc1cccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c1OC(F)F ZINC000180791143 821460759 /nfs/dbraw/zinc/46/07/59/821460759.db2.gz ILZMFCNJAZMQKY-UHFFFAOYSA-N 1 2 393.356 4.071 20 0 GIADLO CCCOc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1OC ZINC000043830463 821466664 /nfs/dbraw/zinc/46/66/64/821466664.db2.gz IHAJPNUJMACUOZ-UHFFFAOYSA-N 1 2 389.459 4.225 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCCc2ccc3ccccc3c2)CC1 ZINC000180811267 821473085 /nfs/dbraw/zinc/47/30/85/821473085.db2.gz FMRDIPLBTSHWCU-HXUWFJFHSA-N 1 2 387.527 4.463 20 0 GIADLO COc1ccc(NC(=O)c2nnc(C[NH2+][C@@H](c3ccccc3)C(C)C)s2)cc1 ZINC000044000388 821500385 /nfs/dbraw/zinc/50/03/85/821500385.db2.gz LRELGEYNHRXHHV-LJQANCHMSA-N 1 2 396.516 4.286 20 0 GIADLO CCOCCOc1ccc(Br)cc1NCc1cccc2[nH+]ccn21 ZINC000180915756 821535370 /nfs/dbraw/zinc/53/53/70/821535370.db2.gz FNDCBNHMHBXFFK-UHFFFAOYSA-N 1 2 390.281 4.124 20 0 GIADLO CCc1nc2ccccc2n1C1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000180961511 821558300 /nfs/dbraw/zinc/55/83/00/821558300.db2.gz XTHMYPOHEPHPJA-UHFFFAOYSA-N 1 2 387.487 4.486 20 0 GIADLO O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000044309115 821566090 /nfs/dbraw/zinc/56/60/90/821566090.db2.gz HOJUQQBPPBYVOB-UHFFFAOYSA-N 1 2 382.489 4.116 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044313479 821568519 /nfs/dbraw/zinc/56/85/19/821568519.db2.gz WQNIUPAMAXQMNK-CHWSQXEVSA-N 1 2 375.460 4.436 20 0 GIADLO Cc1nc2ccccc2n1CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568076 821610242 /nfs/dbraw/zinc/61/02/42/821610242.db2.gz PYVKSFMNZGYZEA-UHFFFAOYSA-N 1 2 385.471 4.183 20 0 GIADLO COc1ccc([C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)c2ccccc2)cc1 ZINC000181072087 821618324 /nfs/dbraw/zinc/61/83/24/821618324.db2.gz AZSAOIXIJPNLCH-QHCPKHFHSA-N 1 2 375.472 4.128 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2COC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181094508 821630028 /nfs/dbraw/zinc/63/00/28/821630028.db2.gz CIVXTAQVVNILJE-PMACEKPBSA-N 1 2 390.886 4.191 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)c2ccccc2COC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181094508 821630031 /nfs/dbraw/zinc/63/00/31/821630031.db2.gz CIVXTAQVVNILJE-PMACEKPBSA-N 1 2 390.886 4.191 20 0 GIADLO CC[N@@H+]1CC[C@H](NC(=O)c2cnn(C(C)C)c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181100728 821632944 /nfs/dbraw/zinc/63/29/44/821632944.db2.gz OINRDRIKVHZWOE-OALUTQOASA-N 1 2 392.906 4.130 20 0 GIADLO CC[N@H+]1CC[C@H](NC(=O)c2cnn(C(C)C)c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181100728 821632947 /nfs/dbraw/zinc/63/29/47/821632947.db2.gz OINRDRIKVHZWOE-OALUTQOASA-N 1 2 392.906 4.130 20 0 GIADLO CCc1nnc(C[NH2+][C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)o1 ZINC000181140192 821658776 /nfs/dbraw/zinc/65/87/76/821658776.db2.gz SWRBNULIPDJXCU-SFHVURJKSA-N 1 2 381.476 4.031 20 0 GIADLO CCOc1ccc(-c2noc(C[N@H+]3CC=C(c4ccc(O)cc4)CC3)n2)cc1 ZINC000044872716 821674909 /nfs/dbraw/zinc/67/49/09/821674909.db2.gz UBLMSPRPJWYWIK-UHFFFAOYSA-N 1 2 377.444 4.130 20 0 GIADLO CCOc1ccc(-c2noc(C[N@@H+]3CC=C(c4ccc(O)cc4)CC3)n2)cc1 ZINC000044872716 821674913 /nfs/dbraw/zinc/67/49/13/821674913.db2.gz UBLMSPRPJWYWIK-UHFFFAOYSA-N 1 2 377.444 4.130 20 0 GIADLO C[C@H](NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1nc2c(s1)CCCC2 ZINC000181194674 821689638 /nfs/dbraw/zinc/68/96/38/821689638.db2.gz ZHWVPIYJJNBVDJ-KSZLIROESA-N 1 2 399.604 4.482 20 0 GIADLO C[C@H](NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1nc2c(s1)CCCC2 ZINC000181194674 821689651 /nfs/dbraw/zinc/68/96/51/821689651.db2.gz ZHWVPIYJJNBVDJ-KSZLIROESA-N 1 2 399.604 4.482 20 0 GIADLO CCO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cs1 ZINC000181283969 821734397 /nfs/dbraw/zinc/73/43/97/821734397.db2.gz YAGPCZSEZOGGER-KBPBESRZSA-N 1 2 375.494 4.048 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1nnc(-c2ccccc2)o1 ZINC000181298078 821741930 /nfs/dbraw/zinc/74/19/30/821741930.db2.gz JPMYHPNCWYFFSX-LSDHHAIUSA-N 1 2 378.432 4.105 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000181308299 821747193 /nfs/dbraw/zinc/74/71/93/821747193.db2.gz FANUPQNVUYKJQV-CHWSQXEVSA-N 1 2 392.429 4.055 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](C)c3cccc(Cl)c3)nc2c1 ZINC000181416111 821814561 /nfs/dbraw/zinc/81/45/61/821814561.db2.gz WMQZKZOEIRHAOD-GFCCVEGCSA-N 1 2 378.881 4.126 20 0 GIADLO Nc1nc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)nc2ccccc12 ZINC000181423020 821818960 /nfs/dbraw/zinc/81/89/60/821818960.db2.gz NBNQGGCLWYNWSA-HXUWFJFHSA-N 1 2 390.512 4.009 20 0 GIADLO Nc1nc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)nc2ccccc12 ZINC000181423020 821818970 /nfs/dbraw/zinc/81/89/70/821818970.db2.gz NBNQGGCLWYNWSA-HXUWFJFHSA-N 1 2 390.512 4.009 20 0 GIADLO Cc1ncc(C[N@@H+](C)[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000181435440 821825696 /nfs/dbraw/zinc/82/56/96/821825696.db2.gz KPDKSYSZXYSFQT-QGZVFWFLSA-N 1 2 397.466 4.093 20 0 GIADLO Cc1ncc(C[N@H+](C)[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000181435440 821825704 /nfs/dbraw/zinc/82/57/04/821825704.db2.gz KPDKSYSZXYSFQT-QGZVFWFLSA-N 1 2 397.466 4.093 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCCc1ccc2ccccc2c1 ZINC000181455764 821834302 /nfs/dbraw/zinc/83/43/02/821834302.db2.gz JQTZFHGUTHNUBZ-UHFFFAOYSA-N 1 2 389.499 4.341 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000181562017 821881547 /nfs/dbraw/zinc/88/15/47/821881547.db2.gz GTXUEGZIEOZPSF-LLVKDONJSA-N 1 2 391.397 4.195 20 0 GIADLO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000181657920 821926624 /nfs/dbraw/zinc/92/66/24/821926624.db2.gz JAMGTPICPTZQJT-UHFFFAOYSA-N 1 2 398.410 4.159 20 0 GIADLO COC[C@@H]([NH2+]Cc1csc(-c2cccc(C(=O)OC)c2)n1)c1ccccc1 ZINC000181686861 821944154 /nfs/dbraw/zinc/94/41/54/821944154.db2.gz FUDCJYKCZXSDPG-LJQANCHMSA-N 1 2 382.485 4.074 20 0 GIADLO Cn1c(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)nnc1C1CCC1 ZINC000181713068 821956429 /nfs/dbraw/zinc/95/64/29/821956429.db2.gz UKZRHAYWDQTKRP-IBGZPJMESA-N 1 2 380.467 4.132 20 0 GIADLO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nnnn1-c1c(C)cccc1C ZINC000181716535 821958417 /nfs/dbraw/zinc/95/84/17/821958417.db2.gz JYXRBNVEWQDJKK-IBGZPJMESA-N 1 2 379.508 4.165 20 0 GIADLO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)c3nnnn3-c3ccccc3)oc21 ZINC000181757115 821979143 /nfs/dbraw/zinc/97/91/43/821979143.db2.gz UDHPLSBFZRQKJD-CABCVRRESA-N 1 2 377.448 4.219 20 0 GIADLO CCC[C@H]([NH2+]Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)c1ccccc1 ZINC000181779428 821988942 /nfs/dbraw/zinc/98/89/42/821988942.db2.gz NSHBYEYQGVSFOW-INIZCTEOSA-N 1 2 388.512 4.460 20 0 GIADLO COc1ccc(-c2nc(C[N@H+](CCO)Cc3ccc(C)cc3)cs2)c(OC)c1 ZINC000181965430 822047653 /nfs/dbraw/zinc/04/76/53/822047653.db2.gz ZAZIAIFMCMWXPX-UHFFFAOYSA-N 1 2 398.528 4.130 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+](CCO)Cc3ccc(C)cc3)cs2)c(OC)c1 ZINC000181965430 822047663 /nfs/dbraw/zinc/04/76/63/822047663.db2.gz ZAZIAIFMCMWXPX-UHFFFAOYSA-N 1 2 398.528 4.130 20 0 GIADLO COc1ccc(-c2nc(C[N@H+](CCO)Cc3ccc(C)cc3)cs2)cc1OC ZINC000181969253 822049048 /nfs/dbraw/zinc/04/90/48/822049048.db2.gz UPOXNGQZQFMQQU-UHFFFAOYSA-N 1 2 398.528 4.130 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+](CCO)Cc3ccc(C)cc3)cs2)cc1OC ZINC000181969253 822049058 /nfs/dbraw/zinc/04/90/58/822049058.db2.gz UPOXNGQZQFMQQU-UHFFFAOYSA-N 1 2 398.528 4.130 20 0 GIADLO COC(=O)c1cc2cc(C[N@H+](Cc3ccco3)Cc3cccnc3)ccc2o1 ZINC000182065147 822079151 /nfs/dbraw/zinc/07/91/51/822079151.db2.gz JDVLLBPTYHYTQM-UHFFFAOYSA-N 1 2 376.412 4.410 20 0 GIADLO COC(=O)c1cc2cc(C[N@@H+](Cc3ccco3)Cc3cccnc3)ccc2o1 ZINC000182065147 822079160 /nfs/dbraw/zinc/07/91/60/822079160.db2.gz JDVLLBPTYHYTQM-UHFFFAOYSA-N 1 2 376.412 4.410 20 0 GIADLO CCN(CC)C(=O)COc1cccc(N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000182310433 822198365 /nfs/dbraw/zinc/19/83/65/822198365.db2.gz XTFOPQPRXVJCOH-SFHVURJKSA-N 1 2 392.503 4.293 20 0 GIADLO COc1ccc(N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1N1CCOC1=O ZINC000182363925 822216419 /nfs/dbraw/zinc/21/64/19/822216419.db2.gz QCIIQHZUQBIFDH-OAHLLOKOSA-N 1 2 378.432 4.011 20 0 GIADLO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)cc1 ZINC000182386686 822224620 /nfs/dbraw/zinc/22/46/20/822224620.db2.gz XIHIQSRCEMPDIY-UHFFFAOYSA-N 1 2 392.330 4.225 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(F)ccc2OC(F)F)c1C ZINC000178014173 822283379 /nfs/dbraw/zinc/28/33/79/822283379.db2.gz XLAQFXHACPIWBZ-UHFFFAOYSA-N 1 2 383.370 4.111 20 0 GIADLO CCC(CC)N(CC(C)C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000178017130 822283877 /nfs/dbraw/zinc/28/38/77/822283877.db2.gz QIMLVWQSSXLZTI-UHFFFAOYSA-N 1 2 384.524 4.199 20 0 GIADLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)c1 ZINC000182556784 822300686 /nfs/dbraw/zinc/30/06/86/822300686.db2.gz YMFTWNFMQIEVAU-RYUDHWBXSA-N 1 2 383.521 4.261 20 0 GIADLO CC(C)c1c(C(=O)NCc2ccn3cc[nH+]c3c2)cnn1-c1cccc(Cl)c1 ZINC000178073136 822309385 /nfs/dbraw/zinc/30/93/85/822309385.db2.gz AIPCKASWHAMYNI-UHFFFAOYSA-N 1 2 393.878 4.227 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3nc(C(C)C)cs3)c2C1 ZINC000178231983 822356935 /nfs/dbraw/zinc/35/69/35/822356935.db2.gz HCWLCMYHTUIIQJ-UHFFFAOYSA-N 1 2 394.544 4.123 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3nc(C(C)C)cs3)c2C1 ZINC000178231983 822356939 /nfs/dbraw/zinc/35/69/39/822356939.db2.gz HCWLCMYHTUIIQJ-UHFFFAOYSA-N 1 2 394.544 4.123 20 0 GIADLO O=C(NCCc1c[nH]c2ccccc12)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178255815 822359323 /nfs/dbraw/zinc/35/93/23/822359323.db2.gz SBFFJWXWMRAKAQ-DHIUTWEWSA-N 1 2 399.498 4.135 20 0 GIADLO O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045041245 822359334 /nfs/dbraw/zinc/35/93/34/822359334.db2.gz MWZUKFFYUPTSAY-UHFFFAOYSA-N 1 2 393.450 4.498 20 0 GIADLO Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000045270837 822375177 /nfs/dbraw/zinc/37/51/77/822375177.db2.gz DXBZZUNDFVUAJM-IBGZPJMESA-N 1 2 388.515 4.072 20 0 GIADLO COCCOc1ccccc1NCc1c[nH+]c2c(C)cc(Br)cn12 ZINC000453584209 822388534 /nfs/dbraw/zinc/38/85/34/822388534.db2.gz PCKFFFFOYRVSFH-UHFFFAOYSA-N 1 2 390.281 4.043 20 0 GIADLO Cc1ccc([C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2Cl)cc1 ZINC000182905786 822389864 /nfs/dbraw/zinc/38/98/64/822389864.db2.gz AMRIFGKQKJBEOI-VQIMIIECSA-N 1 2 381.900 4.044 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045491044 822390384 /nfs/dbraw/zinc/39/03/84/822390384.db2.gz KVFOBAZOEQOMCT-HNNXBMFYSA-N 1 2 395.532 4.194 20 0 GIADLO FC(F)(F)CN1Cc2ccc(NCc3cc(-n4cc[nH+]c4)cs3)cc2C1 ZINC000453615773 822393583 /nfs/dbraw/zinc/39/35/83/822393583.db2.gz OMKAHXBHIRKNHG-UHFFFAOYSA-N 1 2 378.423 4.424 20 0 GIADLO CC(=O)N(c1nc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)cs1)C1CC1 ZINC000453619132 822394187 /nfs/dbraw/zinc/39/41/87/822394187.db2.gz QYBXPIVDMONMGB-HXUWFJFHSA-N 1 2 399.560 4.042 20 0 GIADLO CC(C)c1ccc(CCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000045598005 822399032 /nfs/dbraw/zinc/39/90/32/822399032.db2.gz DXIQZYKAIPSPPK-UHFFFAOYSA-N 1 2 376.504 4.097 20 0 GIADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3c3sccc3C)CC2)c1 ZINC000178682956 822402706 /nfs/dbraw/zinc/40/27/06/822402706.db2.gz QIXFSYHSVYJICM-FFZOFVMBSA-N 1 2 384.545 4.074 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000178814288 822413194 /nfs/dbraw/zinc/41/31/94/822413194.db2.gz KYPAVIAOFJAYGK-KRWDZBQOSA-N 1 2 392.528 4.227 20 0 GIADLO Cc1cc([C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)c2ccccc2Cl)ccc1F ZINC000183027387 822413923 /nfs/dbraw/zinc/41/39/23/822413923.db2.gz CHSVYLJUHJKSHK-BEFAXECRSA-N 1 2 381.900 4.044 20 0 GIADLO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860323 822419567 /nfs/dbraw/zinc/41/95/67/822419567.db2.gz HEMXNBHAJAKCKM-UHFFFAOYSA-N 1 2 393.834 4.147 20 0 GIADLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000183065987 822419633 /nfs/dbraw/zinc/41/96/33/822419633.db2.gz ZERZOUCESYQRRA-HUUCEWRRSA-N 1 2 385.439 4.346 20 0 GIADLO CC[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)c1c(C)noc1C ZINC000178929237 822422328 /nfs/dbraw/zinc/42/23/28/822422328.db2.gz WNIVTYXVSPWLHA-GOSISDBHSA-N 1 2 392.503 4.099 20 0 GIADLO CC[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)c1c(C)noc1C ZINC000178929237 822422332 /nfs/dbraw/zinc/42/23/32/822422332.db2.gz WNIVTYXVSPWLHA-GOSISDBHSA-N 1 2 392.503 4.099 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000046019596 822435603 /nfs/dbraw/zinc/43/56/03/822435603.db2.gz VENPORHDNDPOQN-UHFFFAOYSA-N 1 2 388.515 4.096 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000454209165 822439168 /nfs/dbraw/zinc/43/91/68/822439168.db2.gz BUEUJKBPUKFCPB-OAQYLSRUSA-N 1 2 396.441 4.256 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000046088289 822440700 /nfs/dbraw/zinc/44/07/00/822440700.db2.gz YNMLJMLDPNMLDX-QZTJIDSGSA-N 1 2 395.484 4.449 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000046088289 822440701 /nfs/dbraw/zinc/44/07/01/822440701.db2.gz YNMLJMLDPNMLDX-QZTJIDSGSA-N 1 2 395.484 4.449 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@H]1c1ccc(F)cc1F ZINC000454231565 822441395 /nfs/dbraw/zinc/44/13/95/822441395.db2.gz UERIIHUZGNNJKZ-IBGZPJMESA-N 1 2 386.446 4.007 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@]4(CCSC4)C3)n2)C1 ZINC000454265737 822446224 /nfs/dbraw/zinc/44/62/24/822446224.db2.gz AQYUBTYCAIHVIJ-BEFAXECRSA-N 1 2 394.610 4.126 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@]4(CCSC4)C3)n2)C1 ZINC000454265737 822446226 /nfs/dbraw/zinc/44/62/26/822446226.db2.gz AQYUBTYCAIHVIJ-BEFAXECRSA-N 1 2 394.610 4.126 20 0 GIADLO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(F)cc1Cl ZINC000454274680 822448184 /nfs/dbraw/zinc/44/81/84/822448184.db2.gz JVACVGYJRDVOFB-CQSZACIVSA-N 1 2 390.890 4.425 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454276464 822448568 /nfs/dbraw/zinc/44/85/68/822448568.db2.gz UDAQWNQTCQNCSZ-KRWDZBQOSA-N 1 2 386.521 4.481 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454279486 822449670 /nfs/dbraw/zinc/44/96/70/822449670.db2.gz PJZXJAHYICHFRZ-HXUWFJFHSA-N 1 2 380.492 4.102 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ncc(Br)s1 ZINC000179206057 822450792 /nfs/dbraw/zinc/45/07/92/822450792.db2.gz HFOHMTGUILMFTD-ZDUSSCGKSA-N 1 2 395.370 4.388 20 0 GIADLO Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454328309 822458650 /nfs/dbraw/zinc/45/86/50/822458650.db2.gz HIKVQBLYABWYOV-JOCHJYFZSA-N 1 2 392.478 4.426 20 0 GIADLO COc1cc(Br)cc(C)c1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454344038 822460199 /nfs/dbraw/zinc/46/01/99/822460199.db2.gz HNAIJTORXHMKOF-UHFFFAOYSA-N 1 2 378.270 4.100 20 0 GIADLO COc1cc2c(cc1C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)O[C@H](C)C2 ZINC000183337471 822460591 /nfs/dbraw/zinc/46/05/91/822460591.db2.gz FQKGEFQPVMDLTM-IQMFZBJNSA-N 1 2 378.447 4.432 20 0 GIADLO COc1ccc(Cl)cc1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000046341152 822462924 /nfs/dbraw/zinc/46/29/24/822462924.db2.gz MDNCDWPQIFPCCC-HUUCEWRRSA-N 1 2 388.895 4.210 20 0 GIADLO CSCc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046341331 822462936 /nfs/dbraw/zinc/46/29/36/822462936.db2.gz APPINMXCNUPOFN-IAGOWNOFSA-N 1 2 384.545 4.411 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(F)c(F)cc2Cl)C[C@H](C)O1 ZINC000046343743 822463905 /nfs/dbraw/zinc/46/39/05/822463905.db2.gz RXSAAFZQIBKDJI-STQMWFEESA-N 1 2 394.849 4.480 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)O1 ZINC000046344556 822464126 /nfs/dbraw/zinc/46/41/26/822464126.db2.gz QCDGQBYBIQRINI-CALCHBBNSA-N 1 2 391.471 4.203 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)O1 ZINC000046344556 822464129 /nfs/dbraw/zinc/46/41/29/822464129.db2.gz QCDGQBYBIQRINI-CALCHBBNSA-N 1 2 391.471 4.203 20 0 GIADLO Cc1cccc(OCCC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000046345035 822464134 /nfs/dbraw/zinc/46/41/34/822464134.db2.gz OXZVLRPYPFCKKW-RTBURBONSA-N 1 2 396.531 4.320 20 0 GIADLO COCCO[C@H]1CCC[N@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000179337754 822467882 /nfs/dbraw/zinc/46/78/82/822467882.db2.gz PEXUOJGGPBBEFZ-SFHVURJKSA-N 1 2 396.940 4.003 20 0 GIADLO COCCO[C@H]1CCC[N@@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000179337754 822467884 /nfs/dbraw/zinc/46/78/84/822467884.db2.gz PEXUOJGGPBBEFZ-SFHVURJKSA-N 1 2 396.940 4.003 20 0 GIADLO COc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1F ZINC000183423256 822472593 /nfs/dbraw/zinc/47/25/93/822472593.db2.gz CZQFWOIKXOMAJH-UHFFFAOYSA-N 1 2 381.238 4.012 20 0 GIADLO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046467746 822475746 /nfs/dbraw/zinc/47/57/46/822475746.db2.gz AHVGSDMCTRQDBP-SFHVURJKSA-N 1 2 385.512 4.022 20 0 GIADLO Cc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(Br)c1 ZINC000046469448 822476068 /nfs/dbraw/zinc/47/60/68/822476068.db2.gz ICNJIPCQHVLQSI-OAHLLOKOSA-N 1 2 379.302 4.190 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CC=C(c4cccc(C)c4)CC3)n2)c(OC)c1 ZINC000179401612 822477540 /nfs/dbraw/zinc/47/75/40/822477540.db2.gz NYKLBNZLJVBHLP-UHFFFAOYSA-N 1 2 391.471 4.352 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CC=C(c4cccc(C)c4)CC3)n2)c(OC)c1 ZINC000179401612 822477541 /nfs/dbraw/zinc/47/75/41/822477541.db2.gz NYKLBNZLJVBHLP-UHFFFAOYSA-N 1 2 391.471 4.352 20 0 GIADLO FC(F)(F)Oc1ccc(Cn2nccc2NCc2cccc3[nH+]ccn32)cc1 ZINC000179431042 822481765 /nfs/dbraw/zinc/48/17/65/822481765.db2.gz FBCFBONKLGUPFT-UHFFFAOYSA-N 1 2 387.365 4.090 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000179436000 822482551 /nfs/dbraw/zinc/48/25/51/822482551.db2.gz RTZWCFKMMBSFJN-SXBQZSJRSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000179436000 822482552 /nfs/dbraw/zinc/48/25/52/822482552.db2.gz RTZWCFKMMBSFJN-SXBQZSJRSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1cc2ncc([C@H](C)[NH2+]Cc3nccn3CCCc3ccccc3)c(C)n2n1 ZINC000179444922 822483920 /nfs/dbraw/zinc/48/39/20/822483920.db2.gz MNNDOJVIFIXTIB-SFHVURJKSA-N 1 2 388.519 4.026 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)C[C@@H](C)O1 ZINC000454492900 822484241 /nfs/dbraw/zinc/48/42/41/822484241.db2.gz ACJZMBWJFMDYFZ-WOFYDIOHSA-N 1 2 397.563 4.196 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC[C@H]2CCCCC2(F)F)C[C@H](C)O1 ZINC000454514510 822488355 /nfs/dbraw/zinc/48/83/55/822488355.db2.gz RNKWLALCWCUSHB-SOLBZPMBSA-N 1 2 395.494 4.243 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC[C@H]2CCCCC2(F)F)C[C@H](C)O1 ZINC000454514510 822488357 /nfs/dbraw/zinc/48/83/57/822488357.db2.gz RNKWLALCWCUSHB-SOLBZPMBSA-N 1 2 395.494 4.243 20 0 GIADLO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000046583856 822488492 /nfs/dbraw/zinc/48/84/92/822488492.db2.gz WJPTVKUUSHXKCT-UHFFFAOYSA-N 1 2 393.365 4.276 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000046583856 822488494 /nfs/dbraw/zinc/48/84/94/822488494.db2.gz WJPTVKUUSHXKCT-UHFFFAOYSA-N 1 2 393.365 4.276 20 0 GIADLO COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccccn1 ZINC000179481652 822489013 /nfs/dbraw/zinc/48/90/13/822489013.db2.gz DKVGWQOJDAMUHG-UZUQRXQVSA-N 1 2 385.471 4.111 20 0 GIADLO COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccccn1 ZINC000179481635 822489047 /nfs/dbraw/zinc/48/90/47/822489047.db2.gz DKVGWQOJDAMUHG-HXOBKFHXSA-N 1 2 385.471 4.111 20 0 GIADLO Cc1nc(C(F)(F)F)c(CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)s1 ZINC000183567465 822495712 /nfs/dbraw/zinc/49/57/12/822495712.db2.gz YGAIYHIZFDUGDG-UHFFFAOYSA-N 1 2 399.486 4.014 20 0 GIADLO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000183597869 822499360 /nfs/dbraw/zinc/49/93/60/822499360.db2.gz UMQNVCCFKVHKOF-SJCJKPOMSA-N 1 2 387.277 4.381 20 0 GIADLO Cc1cc2cc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccc(F)c(F)c3)ccc2[nH]1 ZINC000179547999 822501104 /nfs/dbraw/zinc/50/11/04/822501104.db2.gz WPBSDQZUSXLPRM-WOJBJXKFSA-N 1 2 384.430 4.321 20 0 GIADLO Cc1cc2cc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccc(F)c(F)c3)ccc2[nH]1 ZINC000179547999 822501105 /nfs/dbraw/zinc/50/11/05/822501105.db2.gz WPBSDQZUSXLPRM-WOJBJXKFSA-N 1 2 384.430 4.321 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000183617385 822501984 /nfs/dbraw/zinc/50/19/84/822501984.db2.gz PYHJCWCHSGIPQF-CYBMUJFWSA-N 1 2 381.448 4.260 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(OCc2cccs2)c1 ZINC000046674000 822502546 /nfs/dbraw/zinc/50/25/46/822502546.db2.gz SLAGDFCJMCKGBK-UHFFFAOYSA-N 1 2 393.512 4.252 20 0 GIADLO O=C1CCCN1C[C@@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)c1ccccc1 ZINC000179560915 822503826 /nfs/dbraw/zinc/50/38/26/822503826.db2.gz GJAGCBNOZDEIET-LJQANCHMSA-N 1 2 397.425 4.073 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1cccc(OC(F)F)c1 ZINC000179578449 822506380 /nfs/dbraw/zinc/50/63/80/822506380.db2.gz ZXCDXLAYUYFMGY-SNVBAGLBSA-N 1 2 381.329 4.467 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000183658167 822506960 /nfs/dbraw/zinc/50/69/60/822506960.db2.gz AKSOACIPORXSTK-HNNXBMFYSA-N 1 2 398.532 4.007 20 0 GIADLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(OC(F)F)c3)n2)cc1 ZINC000179593098 822508998 /nfs/dbraw/zinc/50/89/98/822508998.db2.gz ODJUJXHQPNZIRM-LBPRGKRZSA-N 1 2 375.375 4.197 20 0 GIADLO CCOc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1F ZINC000183733595 822518338 /nfs/dbraw/zinc/51/83/38/822518338.db2.gz ICIFISYJLNXKHO-CQSZACIVSA-N 1 2 377.485 4.197 20 0 GIADLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000179668686 822523575 /nfs/dbraw/zinc/52/35/75/822523575.db2.gz YEVMYUWFAJSVPV-OAHLLOKOSA-N 1 2 394.500 4.027 20 0 GIADLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000179668686 822523578 /nfs/dbraw/zinc/52/35/78/822523578.db2.gz YEVMYUWFAJSVPV-OAHLLOKOSA-N 1 2 394.500 4.027 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[NH2+]C3(c4cccc(Cl)c4)CC3)nc2c1 ZINC000179671816 822524036 /nfs/dbraw/zinc/52/40/36/822524036.db2.gz PCGCZZBSLDUPBP-UHFFFAOYSA-N 1 2 390.892 4.054 20 0 GIADLO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC000179675565 822524651 /nfs/dbraw/zinc/52/46/51/822524651.db2.gz VDOPIHUEUBVNIB-FQEVSTJZSA-N 1 2 379.504 4.209 20 0 GIADLO CC[C@@H](CNc1ccccc1)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000454743417 822526666 /nfs/dbraw/zinc/52/66/66/822526666.db2.gz PRLWZQWPQHPUMW-QUCCMNQESA-N 1 2 396.535 4.092 20 0 GIADLO CC[C@H](CNc1ccccc1)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000454743419 822526926 /nfs/dbraw/zinc/52/69/26/822526926.db2.gz PRLWZQWPQHPUMW-UYAOXDASSA-N 1 2 396.535 4.092 20 0 GIADLO C[C@H](c1cccc(NC(=O)N(C)Cc2c(F)cccc2F)c1)[NH+]1CCOCC1 ZINC000454745091 822527121 /nfs/dbraw/zinc/52/71/21/822527121.db2.gz QZYZTTDUMCJNDH-OAHLLOKOSA-N 1 2 389.446 4.022 20 0 GIADLO CCOc1ccc(C2=CC[N@H+](CCCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000179696480 822529490 /nfs/dbraw/zinc/52/94/90/822529490.db2.gz LOQCGYFJKZQHHM-UHFFFAOYSA-N 1 2 385.529 4.038 20 0 GIADLO CCOc1ccc(C2=CC[N@@H+](CCCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000179696480 822529494 /nfs/dbraw/zinc/52/94/94/822529494.db2.gz LOQCGYFJKZQHHM-UHFFFAOYSA-N 1 2 385.529 4.038 20 0 GIADLO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000179696459 822529617 /nfs/dbraw/zinc/52/96/17/822529617.db2.gz HKANXSYAVDGNQU-IBGZPJMESA-N 1 2 398.507 4.290 20 0 GIADLO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000179696459 822529618 /nfs/dbraw/zinc/52/96/18/822529618.db2.gz HKANXSYAVDGNQU-IBGZPJMESA-N 1 2 398.507 4.290 20 0 GIADLO CC(C)n1ccc(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)n1 ZINC000183825096 822532550 /nfs/dbraw/zinc/53/25/50/822532550.db2.gz SQIPNPLQTGBUJF-UHFFFAOYSA-N 1 2 378.314 4.270 20 0 GIADLO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943528 822533282 /nfs/dbraw/zinc/53/32/82/822533282.db2.gz GNAHJGKTZMUANM-HNNXBMFYSA-N 1 2 395.532 4.063 20 0 GIADLO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000183829178 822533369 /nfs/dbraw/zinc/53/33/69/822533369.db2.gz BLFJBPLDMUMUMA-HJPURHCSSA-N 1 2 394.446 4.213 20 0 GIADLO CC[C@@H]([NH2+]Cc1cc(-c2cccs2)on1)c1ccccc1OCC(=O)N(C)C ZINC000179726869 822536168 /nfs/dbraw/zinc/53/61/68/822536168.db2.gz JLRCMQCWKKDQPS-QGZVFWFLSA-N 1 2 399.516 4.111 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C)c1ncc(C(C)(C)C)o1)c1ccccc1OCC(=O)N(C)C ZINC000179729577 822536852 /nfs/dbraw/zinc/53/68/52/822536852.db2.gz OTPYZYJGPKYTBE-DOTOQJQBSA-N 1 2 387.524 4.241 20 0 GIADLO CCCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@@H](C)c1ccccc1Br ZINC000047028003 822538531 /nfs/dbraw/zinc/53/85/31/822538531.db2.gz OWCYLYXSDPYMPS-GJZGRUSLSA-N 1 2 393.329 4.217 20 0 GIADLO CC(=O)N(c1nc(C[NH2+][C@H](CCCO)c2ccccc2)cs1)c1ccccc1 ZINC000179738050 822539393 /nfs/dbraw/zinc/53/93/93/822539393.db2.gz PLZCJVRZVVOCAK-OAQYLSRUSA-N 1 2 395.528 4.431 20 0 GIADLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000179749729 822542423 /nfs/dbraw/zinc/54/24/23/822542423.db2.gz JGBNYMXKFGRFIQ-GOSISDBHSA-N 1 2 397.475 4.393 20 0 GIADLO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000179752352 822542879 /nfs/dbraw/zinc/54/28/79/822542879.db2.gz XCQRRDBOWIAMKZ-WMZOPIPTSA-N 1 2 391.309 4.115 20 0 GIADLO Fc1ccc(-c2noc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)n2)cc1F ZINC000179759669 822544906 /nfs/dbraw/zinc/54/49/06/822544906.db2.gz QVIVZSAJYOPVNU-HXUWFJFHSA-N 1 2 399.397 4.027 20 0 GIADLO CCO[C@@H](C)c1nc(C[NH+]2CCC(OCc3ccccc3OC)CC2)cs1 ZINC000179760997 822545612 /nfs/dbraw/zinc/54/56/12/822545612.db2.gz RKNGUNGDUIQLQA-INIZCTEOSA-N 1 2 390.549 4.430 20 0 GIADLO C[C@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179781413 822551759 /nfs/dbraw/zinc/55/17/59/822551759.db2.gz WPCBJGAEDGCNPB-INIZCTEOSA-N 1 2 390.487 4.054 20 0 GIADLO Cc1ccc(SC2CCCC2)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000179787512 822553134 /nfs/dbraw/zinc/55/31/34/822553134.db2.gz RCRVOPNNCXMJBN-QGZVFWFLSA-N 1 2 381.545 4.433 20 0 GIADLO O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047242323 822558043 /nfs/dbraw/zinc/55/80/43/822558043.db2.gz NLLLHVIUUNGCBI-UHFFFAOYSA-N 1 2 377.778 4.439 20 0 GIADLO O=C(C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000047258113 822559288 /nfs/dbraw/zinc/55/92/88/822559288.db2.gz IMSRIJRJYCNDMA-OAQYLSRUSA-N 1 2 393.874 4.248 20 0 GIADLO CC(C)(C)c1nc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cs1 ZINC000047262490 822559982 /nfs/dbraw/zinc/55/99/82/822559982.db2.gz QMMMQJWOFFPEKP-UHFFFAOYSA-N 1 2 392.956 4.340 20 0 GIADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)on1 ZINC000047273514 822560783 /nfs/dbraw/zinc/56/07/83/822560783.db2.gz WIAKYFAPHIPATK-VXKWHMMOSA-N 1 2 389.499 4.220 20 0 GIADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)on1 ZINC000047273514 822560785 /nfs/dbraw/zinc/56/07/85/822560785.db2.gz WIAKYFAPHIPATK-VXKWHMMOSA-N 1 2 389.499 4.220 20 0 GIADLO COc1ccccc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274096 822560936 /nfs/dbraw/zinc/56/09/36/822560936.db2.gz PKIWOPYSWHJJTB-UHFFFAOYSA-N 1 2 379.435 4.043 20 0 GIADLO COc1ccccc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274096 822560938 /nfs/dbraw/zinc/56/09/38/822560938.db2.gz PKIWOPYSWHJJTB-UHFFFAOYSA-N 1 2 379.435 4.043 20 0 GIADLO Cc1cc(C)c(C(=O)CCCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C)c1 ZINC000047304323 822563663 /nfs/dbraw/zinc/56/36/63/822563663.db2.gz HFSGGUPQHNGWCA-UHFFFAOYSA-N 1 2 393.531 4.276 20 0 GIADLO O=C1c2cc(F)ccc2CN1C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000179854503 822566835 /nfs/dbraw/zinc/56/68/35/822566835.db2.gz VSLIWHIHJHQUNP-UHFFFAOYSA-N 1 2 399.853 4.413 20 0 GIADLO CC(C)[C@@H](CO)[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)C ZINC000455016367 822571435 /nfs/dbraw/zinc/57/14/35/822571435.db2.gz AHJBKHKPWFZCQZ-DENIHFKCSA-N 1 2 396.535 4.012 20 0 GIADLO COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000047371720 822571620 /nfs/dbraw/zinc/57/16/20/822571620.db2.gz OLFOSPWMLSYNLY-CYBMUJFWSA-N 1 2 392.500 4.159 20 0 GIADLO O=C(Nc1cccc(Oc2ccncc2)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184107180 822579092 /nfs/dbraw/zinc/57/90/92/822579092.db2.gz VETHTFQSECAYBE-UHFFFAOYSA-N 1 2 389.459 4.013 20 0 GIADLO CCCCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000179941082 822581491 /nfs/dbraw/zinc/58/14/91/822581491.db2.gz JKSTZETUGLZECA-KRWDZBQOSA-N 1 2 375.534 4.462 20 0 GIADLO CCCCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000179941082 822581493 /nfs/dbraw/zinc/58/14/93/822581493.db2.gz JKSTZETUGLZECA-KRWDZBQOSA-N 1 2 375.534 4.462 20 0 GIADLO CC(C)(C)c1cc(CCC(=O)NCCCn2cc[nH+]c2)cc(C(C)(C)C)c1O ZINC000047465633 822581652 /nfs/dbraw/zinc/58/16/52/822581652.db2.gz ROGUYGXBRFWADA-UHFFFAOYSA-N 1 2 385.552 4.323 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000184146620 822585775 /nfs/dbraw/zinc/58/57/75/822585775.db2.gz BLXPXUCUHONWHP-INIZCTEOSA-N 1 2 381.501 4.320 20 0 GIADLO CNC(=O)Cc1nc(C[NH2+][C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)cs1 ZINC000179964999 822586844 /nfs/dbraw/zinc/58/68/44/822586844.db2.gz ABWFILITVNRFEG-AWEZNQCLSA-N 1 2 399.491 4.214 20 0 GIADLO CNC(=O)Cc1nc(C[NH2+][C@H](C)c2ccc(Oc3ccccc3)c(F)c2)cs1 ZINC000179965011 822586923 /nfs/dbraw/zinc/58/69/23/822586923.db2.gz ABWFILITVNRFEG-CQSZACIVSA-N 1 2 399.491 4.214 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 ZINC000184167179 822589499 /nfs/dbraw/zinc/58/94/99/822589499.db2.gz QFUKHOBDVKMGJL-SNVBAGLBSA-N 1 2 394.472 4.143 20 0 GIADLO Cc1csc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)n1 ZINC000184166781 822589502 /nfs/dbraw/zinc/58/95/02/822589502.db2.gz HBDCWSJBBXULHU-HZPDHXFCSA-N 1 2 393.512 4.360 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)CCCc2ccccc2)C[C@H](C)O1 ZINC000047569895 822591841 /nfs/dbraw/zinc/59/18/41/822591841.db2.gz VAXOOQDVMLKCAT-BGYRXZFFSA-N 1 2 395.547 4.392 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)CCCc2ccccc2)C[C@H](C)O1 ZINC000047569895 822591843 /nfs/dbraw/zinc/59/18/43/822591843.db2.gz VAXOOQDVMLKCAT-BGYRXZFFSA-N 1 2 395.547 4.392 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)[C@@H]2CCc3ccccc32)C[C@@H](C)O1 ZINC000047569720 822591889 /nfs/dbraw/zinc/59/18/89/822591889.db2.gz ZIVRACTUNZFBOL-PMAPCBKXSA-N 1 2 393.531 4.447 20 0 GIADLO CCN(CCc1ccccc1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569961 822592137 /nfs/dbraw/zinc/59/21/37/822592137.db2.gz FUFQMWQOSONNQV-BGYRXZFFSA-N 1 2 395.547 4.392 20 0 GIADLO CCN(CCc1ccccc1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047569961 822592138 /nfs/dbraw/zinc/59/21/38/822592138.db2.gz FUFQMWQOSONNQV-BGYRXZFFSA-N 1 2 395.547 4.392 20 0 GIADLO CCCc1c(NC(=O)NCc2c[nH+]c(C)cc2C)cnn1-c1cccc(F)c1 ZINC000455126332 822593124 /nfs/dbraw/zinc/59/31/24/822593124.db2.gz DHDFOCKOZLFYAK-UHFFFAOYSA-N 1 2 381.455 4.297 20 0 GIADLO COc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1OC(C)C ZINC000184204376 822595729 /nfs/dbraw/zinc/59/57/29/822595729.db2.gz XICNKPSOYVRDOX-UHFFFAOYSA-N 1 2 394.475 4.049 20 0 GIADLO COc1cc(OC)c(C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)c(OC)c1 ZINC000180027199 822600116 /nfs/dbraw/zinc/60/01/16/822600116.db2.gz PGTCPBLQUZBYEF-LBPRGKRZSA-N 1 2 389.883 4.103 20 0 GIADLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nc(-c4cccc(C)c4)no3)ccc2NC1=O ZINC000180031421 822601027 /nfs/dbraw/zinc/60/10/27/822601027.db2.gz GDAIWXHYBSEQRJ-KBXCAEBGSA-N 1 2 392.459 4.005 20 0 GIADLO C[C@@H](C1CC1)n1nccc1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455190638 822604687 /nfs/dbraw/zinc/60/46/87/822604687.db2.gz KNPISFMLORIBCD-ZDUSSCGKSA-N 1 2 384.871 4.015 20 0 GIADLO CCOCCCn1c2ccccc2[nH+]c1NCc1cncc(Br)c1 ZINC000184287899 822609234 /nfs/dbraw/zinc/60/92/34/822609234.db2.gz VEXOQPQPCXIMKM-UHFFFAOYSA-N 1 2 389.297 4.233 20 0 GIADLO O=C(Nc1ccc(SC2CCCC2)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000180075917 822610333 /nfs/dbraw/zinc/61/03/33/822610333.db2.gz MKHKBLMDCQYQKK-GOSISDBHSA-N 1 2 389.565 4.050 20 0 GIADLO C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)[C@H](CO)c1cccc(Br)c1 ZINC000180086542 822612456 /nfs/dbraw/zinc/61/24/56/822612456.db2.gz FFWKOJBRZBXHFR-GOSISDBHSA-N 1 2 386.293 4.005 20 0 GIADLO C[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)[C@H](CO)c1cccc(Br)c1 ZINC000180086542 822612461 /nfs/dbraw/zinc/61/24/61/822612461.db2.gz FFWKOJBRZBXHFR-GOSISDBHSA-N 1 2 386.293 4.005 20 0 GIADLO C[N@H+](Cc1c[nH]c(-c2ccccc2)n1)[C@H](CO)c1cccc(Br)c1 ZINC000180086542 822612464 /nfs/dbraw/zinc/61/24/64/822612464.db2.gz FFWKOJBRZBXHFR-GOSISDBHSA-N 1 2 386.293 4.005 20 0 GIADLO C[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)[C@H](CO)c1cccc(Br)c1 ZINC000180086542 822612466 /nfs/dbraw/zinc/61/24/66/822612466.db2.gz FFWKOJBRZBXHFR-GOSISDBHSA-N 1 2 386.293 4.005 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911258 822618957 /nfs/dbraw/zinc/61/89/57/822618957.db2.gz DUNMFTGGVBORHM-FXAWDEMLSA-N 1 2 393.314 4.139 20 0 GIADLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911258 822618958 /nfs/dbraw/zinc/61/89/58/822618958.db2.gz DUNMFTGGVBORHM-FXAWDEMLSA-N 1 2 393.314 4.139 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1nc(C)cs1 ZINC000184356932 822621317 /nfs/dbraw/zinc/62/13/17/822621317.db2.gz OKKYWQCATPFHTA-CQSZACIVSA-N 1 2 390.509 4.394 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nn1-c1ccccc1Cl ZINC000180128254 822621502 /nfs/dbraw/zinc/62/15/02/822621502.db2.gz PPFQMOQQEGTPGF-KDOFPFPSSA-N 1 2 398.898 4.146 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)c1nc(C)cs1 ZINC000184360949 822622035 /nfs/dbraw/zinc/62/20/35/822622035.db2.gz YJNWRMKQURKKLB-GDBMZVCRSA-N 1 2 398.488 4.056 20 0 GIADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C2CC2)o1 ZINC000048043883 822626272 /nfs/dbraw/zinc/62/62/72/822626272.db2.gz XFKUDSHMHWUZGK-KXBFYZLASA-N 1 2 396.487 4.167 20 0 GIADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C2CC2)o1 ZINC000048043883 822626273 /nfs/dbraw/zinc/62/62/73/822626273.db2.gz XFKUDSHMHWUZGK-KXBFYZLASA-N 1 2 396.487 4.167 20 0 GIADLO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)C1 ZINC000048046409 822626407 /nfs/dbraw/zinc/62/64/07/822626407.db2.gz ZTSXYAYTGGQQDV-QGZVFWFLSA-N 1 2 398.576 4.357 20 0 GIADLO O=C(NCCCC1CCOCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000455287100 822627756 /nfs/dbraw/zinc/62/77/56/822627756.db2.gz JHXVJRQFUQTPGE-UHFFFAOYSA-N 1 2 382.508 4.215 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1OC(F)(F)F ZINC000180172832 822632198 /nfs/dbraw/zinc/63/21/98/822632198.db2.gz UCUFHBBJOOKKNA-UHFFFAOYSA-N 1 2 391.349 4.113 20 0 GIADLO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000184447654 822637051 /nfs/dbraw/zinc/63/70/51/822637051.db2.gz CLSQZYRRCQNUDD-AWEZNQCLSA-N 1 2 399.853 4.190 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)c(OC)c1 ZINC000184473450 822642052 /nfs/dbraw/zinc/64/20/52/822642052.db2.gz BUWAPCOJVKKEBS-OLZOCXBDSA-N 1 2 391.537 4.136 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1OC ZINC000184494644 822645234 /nfs/dbraw/zinc/64/52/34/822645234.db2.gz PJDLFYCNMUHNKN-QWHCGFSZSA-N 1 2 391.537 4.136 20 0 GIADLO CC[C@@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1ccccc1OCC(=O)N(C)C ZINC000180242035 822646617 /nfs/dbraw/zinc/64/66/17/822646617.db2.gz LROPXTKLSMKSRE-MRXNPFEDSA-N 1 2 396.318 4.096 20 0 GIADLO Cc1ccccc1C[NH+]1CCN(C(=O)CCCCC(=O)c2ccccc2)CC1 ZINC000048224662 822646634 /nfs/dbraw/zinc/64/66/34/822646634.db2.gz SAHUNHOLIIRDDD-UHFFFAOYSA-N 1 2 378.516 4.083 20 0 GIADLO CCCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000184507105 822647161 /nfs/dbraw/zinc/64/71/61/822647161.db2.gz CCAFVMKQDSPWQH-OAHLLOKOSA-N 1 2 389.565 4.196 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000048247648 822648323 /nfs/dbraw/zinc/64/83/23/822648323.db2.gz UPUJPBCNBNPKHB-LJQANCHMSA-N 1 2 396.491 4.107 20 0 GIADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CC2(CSc3ccccc3)CC2)CC1 ZINC000184539010 822653805 /nfs/dbraw/zinc/65/38/05/822653805.db2.gz NLNSSXQOWOKFCO-LJQANCHMSA-N 1 2 395.572 4.249 20 0 GIADLO Cc1ccc(C(=O)CCCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000184545214 822654633 /nfs/dbraw/zinc/65/46/33/822654633.db2.gz RECRWSJFHOQXHP-UHFFFAOYSA-N 1 2 391.471 4.262 20 0 GIADLO COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455463326 822659523 /nfs/dbraw/zinc/65/95/23/822659523.db2.gz CQXDHXRMCLPSRY-UHFFFAOYSA-N 1 2 379.863 4.480 20 0 GIADLO CCOc1c(Cl)cc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1OC ZINC000455468089 822660423 /nfs/dbraw/zinc/66/04/23/822660423.db2.gz GVMMZUGCMKIGDZ-UHFFFAOYSA-N 1 2 377.872 4.389 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(C)[nH+]1 ZINC000455471423 822661078 /nfs/dbraw/zinc/66/10/78/822661078.db2.gz IRULFKKIYGFSIZ-UHFFFAOYSA-N 1 2 384.455 4.029 20 0 GIADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccco1 ZINC000184592921 822662916 /nfs/dbraw/zinc/66/29/16/822662916.db2.gz FIOUPDWEAVXFGP-LAUBAEHRSA-N 1 2 394.471 4.163 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1Sc1ccccc1)c1ccco1 ZINC000184606140 822664892 /nfs/dbraw/zinc/66/48/92/822664892.db2.gz ZFBQZVWGPSUCRJ-GOSISDBHSA-N 1 2 382.485 4.347 20 0 GIADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccco1 ZINC000184625456 822667503 /nfs/dbraw/zinc/66/75/03/822667503.db2.gz PNKHQHGKDUFDPJ-GDBMZVCRSA-N 1 2 385.489 4.016 20 0 GIADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nn1-c1cccc(Cl)c1 ZINC000180349485 822667924 /nfs/dbraw/zinc/66/79/24/822667924.db2.gz GXMQSSWRXLYEAE-KSSFIOAISA-N 1 2 398.898 4.146 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C)o1 ZINC000184636949 822669373 /nfs/dbraw/zinc/66/93/73/822669373.db2.gz IADMUSKXXMFEES-CQSZACIVSA-N 1 2 390.789 4.176 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000455525527 822670723 /nfs/dbraw/zinc/67/07/23/822670723.db2.gz PIAKKHMQWXZGEL-INIZCTEOSA-N 1 2 381.398 4.271 20 0 GIADLO Cc1nc([C@H](NC(=O)Nc2c(C)cc(C)[nH+]c2C)c2ccc(Cl)cc2)no1 ZINC000455542888 822672687 /nfs/dbraw/zinc/67/26/87/822672687.db2.gz ZOTQWXGJAZRFNF-QGZVFWFLSA-N 1 2 385.855 4.263 20 0 GIADLO COC[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)c1ccc(C)o1 ZINC000184672366 822673808 /nfs/dbraw/zinc/67/38/08/822673808.db2.gz IHRXVZLRSXVYQI-AVRDEDQJSA-N 1 2 398.528 4.141 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c[nH+]1 ZINC000455574182 822676981 /nfs/dbraw/zinc/67/69/81/822676981.db2.gz QKNCSYGGVCOFFE-GOSISDBHSA-N 1 2 393.409 4.000 20 0 GIADLO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000048735597 822680202 /nfs/dbraw/zinc/68/02/02/822680202.db2.gz AHKNMVOMMOXTCY-MRXNPFEDSA-N 1 2 392.463 4.046 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cs1 ZINC000184723005 822682291 /nfs/dbraw/zinc/68/22/91/822682291.db2.gz AUKWUFFUOXZHGP-SECBINFHSA-N 1 2 389.855 4.250 20 0 GIADLO O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180448092 822683844 /nfs/dbraw/zinc/68/38/44/822683844.db2.gz ZUGUHHAJNTVBLB-QGZVFWFLSA-N 1 2 397.866 4.420 20 0 GIADLO COC[C@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(C)o1 ZINC000184766745 822688283 /nfs/dbraw/zinc/68/82/83/822688283.db2.gz RELVXHTVRSVDNY-NRFANRHFSA-N 1 2 378.472 4.095 20 0 GIADLO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3nc([C@@H](C)OC)no3)s2)cc1 ZINC000184787642 822690931 /nfs/dbraw/zinc/69/09/31/822690931.db2.gz NOGSGNDPGVQTKJ-WCQYABFASA-N 1 2 388.493 4.068 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2csc(-c3ccccc3OC)n2)cc1OC ZINC000049090912 822692986 /nfs/dbraw/zinc/69/29/86/822692986.db2.gz UILIDGAEXQAITL-UHFFFAOYSA-N 1 2 384.501 4.468 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2csc(-c3ccccc3OC)n2)cc1OC ZINC000049090912 822692990 /nfs/dbraw/zinc/69/29/90/822692990.db2.gz UILIDGAEXQAITL-UHFFFAOYSA-N 1 2 384.501 4.468 20 0 GIADLO COc1cccc(-n2ccn(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)c2=S)c1 ZINC000184810486 822694111 /nfs/dbraw/zinc/69/41/11/822694111.db2.gz VJKHKVGYZPHSAF-QFIPXVFZSA-N 1 2 393.512 4.106 20 0 GIADLO COc1cccc(-n2ccn(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)c2=S)c1 ZINC000184810486 822694114 /nfs/dbraw/zinc/69/41/14/822694114.db2.gz VJKHKVGYZPHSAF-QFIPXVFZSA-N 1 2 393.512 4.106 20 0 GIADLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000455664267 822694723 /nfs/dbraw/zinc/69/47/23/822694723.db2.gz UMMXBQIUVHDXSB-LAUBAEHRSA-N 1 2 394.906 4.132 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000184819542 822695397 /nfs/dbraw/zinc/69/53/97/822695397.db2.gz ARPNVANSERMZBJ-MEDUHNTESA-N 1 2 385.291 4.453 20 0 GIADLO CC[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(OC)cc1 ZINC000180522335 822695629 /nfs/dbraw/zinc/69/56/29/822695629.db2.gz WPJHIWAGGACSHR-OAQYLSRUSA-N 1 2 381.520 4.281 20 0 GIADLO C[C@H]([NH2+]Cc1cccnc1)c1cc(Br)cc(Br)c1O ZINC000184836945 822697724 /nfs/dbraw/zinc/69/77/24/822697724.db2.gz SCKPTLJDFIDQCJ-VIFPVBQESA-N 1 2 386.087 4.163 20 0 GIADLO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180534528 822697864 /nfs/dbraw/zinc/69/78/64/822697864.db2.gz LEQQWWLIXHZBIW-AZUAARDMSA-N 1 2 381.524 4.267 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000184844753 822699136 /nfs/dbraw/zinc/69/91/36/822699136.db2.gz NXXFOWMIQBWHTP-SBOQHKNFSA-N 1 2 393.531 4.466 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)NCc1ccc(Cl)cc1 ZINC000184856696 822701331 /nfs/dbraw/zinc/70/13/31/822701331.db2.gz SCZIRCXAMQPRBS-GJZGRUSLSA-N 1 2 383.879 4.351 20 0 GIADLO C[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cc(Br)cc(F)c1O ZINC000184864749 822702953 /nfs/dbraw/zinc/70/29/53/822702953.db2.gz ZHUWTRVCEFPVOK-QMTHXVAHSA-N 1 2 387.318 4.309 20 0 GIADLO Cc1c(O)ccc2c(C[NH2+][C@H](C)c3ncc(-c4ccccc4)o3)cc(=O)oc12 ZINC000184873657 822704896 /nfs/dbraw/zinc/70/48/96/822704896.db2.gz CBZLGXHPLWRADN-CQSZACIVSA-N 1 2 376.412 4.313 20 0 GIADLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000180574796 822704962 /nfs/dbraw/zinc/70/49/62/822704962.db2.gz QVLSRNFQAXPWML-MSOLQXFVSA-N 1 2 376.287 4.140 20 0 GIADLO C[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)c1ncc(-c2ccccc2)o1 ZINC000184880656 822706434 /nfs/dbraw/zinc/70/64/34/822706434.db2.gz HYSPABRFLGTWDC-QGZVFWFLSA-N 1 2 375.472 4.188 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184898669 822709743 /nfs/dbraw/zinc/70/97/43/822709743.db2.gz HPXGVAYZMRMCKA-HUUCEWRRSA-N 1 2 395.459 4.037 20 0 GIADLO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000049974294 822712973 /nfs/dbraw/zinc/71/29/73/822712973.db2.gz ZFJKHWMBAOXWPT-QVKFZJNVSA-N 1 2 380.444 4.003 20 0 GIADLO CCOc1ccc(-c2noc(C[NH2+][C@@H](CC)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000180618324 822713678 /nfs/dbraw/zinc/71/36/78/822713678.db2.gz WLLAKNOJNLHYPP-SFHVURJKSA-N 1 2 395.459 4.147 20 0 GIADLO Cc1nc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c(-c2ccccc2)o1 ZINC000184940939 822716239 /nfs/dbraw/zinc/71/62/39/822716239.db2.gz ZPLVXGFGONBWPL-UHFFFAOYSA-N 1 2 391.471 4.043 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000184962591 822719123 /nfs/dbraw/zinc/71/91/23/822719123.db2.gz HBEMAHWCENKSGC-UHFFFAOYSA-N 1 2 383.801 4.284 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N(C)C(c2ccccc2)c2ccccc2)s1 ZINC000184974003 822720332 /nfs/dbraw/zinc/72/03/32/822720332.db2.gz DXSKHSISVSXXMI-QGZVFWFLSA-N 1 2 379.529 4.350 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)s1 ZINC000184990617 822722687 /nfs/dbraw/zinc/72/26/87/822722687.db2.gz YGILKZFBXXLALC-BEFAXECRSA-N 1 2 385.558 4.378 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 ZINC000185031312 822727305 /nfs/dbraw/zinc/72/73/05/822727305.db2.gz GYOXYMVOIRCGEG-CQSZACIVSA-N 1 2 387.505 4.172 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c1C ZINC000050448137 822729678 /nfs/dbraw/zinc/72/96/78/822729678.db2.gz KKTKPGZRMOXCBR-LBPRGKRZSA-N 1 2 383.275 4.098 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nccs1 ZINC000185078998 822734001 /nfs/dbraw/zinc/73/40/01/822734001.db2.gz SXQOOZMGHOUVPL-GFCCVEGCSA-N 1 2 377.819 4.495 20 0 GIADLO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1)C1CCCCC1 ZINC000185099668 822736948 /nfs/dbraw/zinc/73/69/48/822736948.db2.gz ZAXCGOIFTVUROT-LSDHHAIUSA-N 1 2 388.487 4.096 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)c1C ZINC000050771732 822738402 /nfs/dbraw/zinc/73/84/02/822738402.db2.gz HDCCXWRAAKYQPR-UHFFFAOYSA-N 1 2 398.466 4.247 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CCC(=O)c2ccc3ccccc3c2)c1C ZINC000050771402 822738418 /nfs/dbraw/zinc/73/84/18/822738418.db2.gz DDTUCEFDYVWCOL-UHFFFAOYSA-N 1 2 376.456 4.140 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1nccs1 ZINC000185112685 822738627 /nfs/dbraw/zinc/73/86/27/822738627.db2.gz MGLUIESAAUUFEQ-OAHLLOKOSA-N 1 2 390.509 4.009 20 0 GIADLO CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000050863149 822740523 /nfs/dbraw/zinc/74/05/23/822740523.db2.gz JFAILRNWTJDOPS-IRLDBZIGSA-N 1 2 375.472 4.112 20 0 GIADLO C[C@@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1cn(C)c2ccccc12 ZINC000185138521 822741690 /nfs/dbraw/zinc/74/16/90/822741690.db2.gz CSUNVGHAXLJVQZ-QGZVFWFLSA-N 1 2 388.471 4.196 20 0 GIADLO Cc1nc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)sc1Cc1cccc(F)c1 ZINC000455886570 822742559 /nfs/dbraw/zinc/74/25/59/822742559.db2.gz HLVBWOSGXOLCDO-HNNXBMFYSA-N 1 2 399.495 4.316 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cc(Br)cc(F)c1O ZINC000185165399 822744778 /nfs/dbraw/zinc/74/47/78/822744778.db2.gz AOOFWQBVWMDTBC-GFCCVEGCSA-N 1 2 390.256 4.330 20 0 GIADLO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Br)s3)CC2)s1 ZINC000051098076 822746466 /nfs/dbraw/zinc/74/64/66/822746466.db2.gz QTNJCOBUNLCGSF-UHFFFAOYSA-N 1 2 399.379 4.275 20 0 GIADLO Cc1nc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)sc1Cc1ccccc1F ZINC000455912239 822747713 /nfs/dbraw/zinc/74/77/13/822747713.db2.gz FTJRYWAKXPGECL-HNNXBMFYSA-N 1 2 399.495 4.316 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1C ZINC000051334506 822756484 /nfs/dbraw/zinc/75/64/84/822756484.db2.gz XURWJOUBXVBAOD-HNNXBMFYSA-N 1 2 391.924 4.397 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1C ZINC000051334581 822756624 /nfs/dbraw/zinc/75/66/24/822756624.db2.gz ZVEGZIARXIQFEY-UGKGYDQZSA-N 1 2 397.519 4.016 20 0 GIADLO CCC1(CC)C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[S@]1=O ZINC000185273202 822757832 /nfs/dbraw/zinc/75/78/32/822757832.db2.gz LISAPGGOVLKURA-HHHXNRCGSA-N 1 2 384.545 4.062 20 0 GIADLO CCC1(CC)C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[S@]1=O ZINC000185273202 822757835 /nfs/dbraw/zinc/75/78/35/822757835.db2.gz LISAPGGOVLKURA-HHHXNRCGSA-N 1 2 384.545 4.062 20 0 GIADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000455964340 822758110 /nfs/dbraw/zinc/75/81/10/822758110.db2.gz ZPOOCEUIUULCEV-NQIIRXRSSA-N 1 2 391.902 4.425 20 0 GIADLO CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051472991 822761513 /nfs/dbraw/zinc/76/15/13/822761513.db2.gz NCJNGYOSMNWBSG-MRXNPFEDSA-N 1 2 398.450 4.031 20 0 GIADLO CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051472991 822761514 /nfs/dbraw/zinc/76/15/14/822761514.db2.gz NCJNGYOSMNWBSG-MRXNPFEDSA-N 1 2 398.450 4.031 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000455992977 822763058 /nfs/dbraw/zinc/76/30/58/822763058.db2.gz QBKOWLXYIWLPJO-CYBMUJFWSA-N 1 2 393.409 4.145 20 0 GIADLO C[C@@H](c1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1)C(F)(F)F ZINC000455993949 822763279 /nfs/dbraw/zinc/76/32/79/822763279.db2.gz VGJZBIYBNNLAIW-GJZGRUSLSA-N 1 2 379.426 4.181 20 0 GIADLO CN(C[C@H]1CCC[N@@H+]1Cc1csc(-c2ccccn2)n1)C(=O)OC(C)(C)C ZINC000174288824 822763698 /nfs/dbraw/zinc/76/36/98/822763698.db2.gz DSMWGHNAPCPBJA-MRXNPFEDSA-N 1 2 388.537 4.036 20 0 GIADLO CN(C[C@H]1CCC[N@H+]1Cc1csc(-c2ccccn2)n1)C(=O)OC(C)(C)C ZINC000174288824 822763701 /nfs/dbraw/zinc/76/37/01/822763701.db2.gz DSMWGHNAPCPBJA-MRXNPFEDSA-N 1 2 388.537 4.036 20 0 GIADLO Cc1cc(Br)cn2cc(CCNC(=O)C3(C4CCC4)CCC3)[nH+]c12 ZINC000455999881 822764373 /nfs/dbraw/zinc/76/43/73/822764373.db2.gz DXWFYRCAGBWVNU-UHFFFAOYSA-N 1 2 390.325 4.034 20 0 GIADLO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cc(Br)cc(F)c1O ZINC000185323293 822765754 /nfs/dbraw/zinc/76/57/54/822765754.db2.gz MSMGRNKXEPWRKF-LLVKDONJSA-N 1 2 396.256 4.306 20 0 GIADLO CN(C(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)c1nc2ccccc2s1 ZINC000185325182 822766301 /nfs/dbraw/zinc/76/63/01/822766301.db2.gz AZIZSCHVABSYBP-ZDUSSCGKSA-N 1 2 387.455 4.027 20 0 GIADLO CN(C(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)c1nc2ccccc2s1 ZINC000185325182 822766305 /nfs/dbraw/zinc/76/63/05/822766305.db2.gz AZIZSCHVABSYBP-ZDUSSCGKSA-N 1 2 387.455 4.027 20 0 GIADLO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000174304397 822767953 /nfs/dbraw/zinc/76/79/53/822767953.db2.gz NEHQDVNJNNXNNI-IRLDBZIGSA-N 1 2 396.535 4.049 20 0 GIADLO C[C@H](c1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1)C(F)(F)F ZINC000456074555 822774711 /nfs/dbraw/zinc/77/47/11/822774711.db2.gz WBQRLVNKDLXQKW-ACJLOTCBSA-N 1 2 380.385 4.278 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1C ZINC000051755504 822777731 /nfs/dbraw/zinc/77/77/31/822777731.db2.gz OPVCIOQAQXHJGY-QGZVFWFLSA-N 1 2 396.516 4.363 20 0 GIADLO COc1ccccc1-n1c(SCCCn2cc[nH+]c2)nnc1-c1cccs1 ZINC000185407668 822779867 /nfs/dbraw/zinc/77/98/67/822779867.db2.gz MDJQANRQCXYQMM-UHFFFAOYSA-N 1 2 397.529 4.383 20 0 GIADLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000456131343 822782275 /nfs/dbraw/zinc/78/22/75/822782275.db2.gz CTXYNMVDNOUTSF-INIZCTEOSA-N 1 2 375.875 4.056 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc(C)ccc1OC ZINC000174408366 822786234 /nfs/dbraw/zinc/78/62/34/822786234.db2.gz KKBDBDGDDSNMRQ-UHFFFAOYSA-N 1 2 382.508 4.169 20 0 GIADLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]Cc1nccn1CC(C)C ZINC000174454378 822792060 /nfs/dbraw/zinc/79/20/60/822792060.db2.gz DSMSRELGROWGDZ-UHFFFAOYSA-N 1 2 385.943 4.344 20 0 GIADLO Fc1ccc(-c2cn3nc(NC4CCN(c5cccc[nH+]5)CC4)sc3n2)cc1 ZINC000052185525 822792720 /nfs/dbraw/zinc/79/27/20/822792720.db2.gz FPUKYJFEKWYYQR-UHFFFAOYSA-N 1 2 394.479 4.073 20 0 GIADLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)c1 ZINC000174512612 822799371 /nfs/dbraw/zinc/79/93/71/822799371.db2.gz UIJPAIFPENZDQN-FXAWDEMLSA-N 1 2 397.519 4.173 20 0 GIADLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)c1 ZINC000174512612 822799373 /nfs/dbraw/zinc/79/93/73/822799373.db2.gz UIJPAIFPENZDQN-FXAWDEMLSA-N 1 2 397.519 4.173 20 0 GIADLO Cc1nc(-c2c[nH]c(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)c2)cs1 ZINC000052526743 822802808 /nfs/dbraw/zinc/80/28/08/822802808.db2.gz XKRUNLPIRWOBAF-UHFFFAOYSA-N 1 2 387.534 4.141 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nc(-c2ccsc2)no1 ZINC000185649185 822806659 /nfs/dbraw/zinc/80/66/59/822806659.db2.gz IKRLLOHUZYTSGL-SECBINFHSA-N 1 2 385.415 4.025 20 0 GIADLO Cc1ccc(C[NH2+][C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)o1 ZINC000174574742 822806969 /nfs/dbraw/zinc/80/69/69/822806969.db2.gz KEPOJDNEVKHYNC-JOCHJYFZSA-N 1 2 383.513 4.488 20 0 GIADLO Cc1cccc(-c2nnc([C@H](C)[N@H+](C)Cc3ccccc3N3CCOCC3)o2)c1 ZINC000052686747 822807298 /nfs/dbraw/zinc/80/72/98/822807298.db2.gz ZBFARVHCUMNSGE-SFHVURJKSA-N 1 2 392.503 4.075 20 0 GIADLO Cc1cccc(-c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3N3CCOCC3)o2)c1 ZINC000052686747 822807302 /nfs/dbraw/zinc/80/73/02/822807302.db2.gz ZBFARVHCUMNSGE-SFHVURJKSA-N 1 2 392.503 4.075 20 0 GIADLO COc1ccccc1-c1nc(CN2CC[NH+](Cc3ccsc3)CC2)cs1 ZINC000052711908 822808040 /nfs/dbraw/zinc/80/80/40/822808040.db2.gz NFIIBYWGJFFYET-UHFFFAOYSA-N 1 2 385.558 4.198 20 0 GIADLO O=S(=O)(c1cccc(Cl)c1Cl)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000185679521 822809386 /nfs/dbraw/zinc/80/93/86/822809386.db2.gz BYDACFRSPRBYAZ-UHFFFAOYSA-N 1 2 385.194 4.146 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847894 822812945 /nfs/dbraw/zinc/81/29/45/822812945.db2.gz SGVHKLBRIBLYCG-SECBINFHSA-N 1 2 389.265 4.248 20 0 GIADLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847894 822812948 /nfs/dbraw/zinc/81/29/48/822812948.db2.gz SGVHKLBRIBLYCG-SECBINFHSA-N 1 2 389.265 4.248 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1O ZINC000174632171 822814826 /nfs/dbraw/zinc/81/48/26/822814826.db2.gz HGPRZTRKZHQOMG-UHFFFAOYSA-N 1 2 392.455 4.264 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1O ZINC000174632171 822814829 /nfs/dbraw/zinc/81/48/29/822814829.db2.gz HGPRZTRKZHQOMG-UHFFFAOYSA-N 1 2 392.455 4.264 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000052909182 822815072 /nfs/dbraw/zinc/81/50/72/822815072.db2.gz SWKUKCYMJILXTB-UHFFFAOYSA-N 1 2 387.293 4.077 20 0 GIADLO C[C@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000174664546 822820477 /nfs/dbraw/zinc/82/04/77/822820477.db2.gz YZHCMJZDIXKMSR-OAHLLOKOSA-N 1 2 386.446 4.016 20 0 GIADLO CCCCn1c(SC[C@@H](O)c2ccc(C)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000174668869 822821228 /nfs/dbraw/zinc/82/12/28/822821228.db2.gz LXKIJUMDPBGPQP-ZWKOTPCHSA-N 1 2 376.570 4.225 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000053111169 822822033 /nfs/dbraw/zinc/82/20/33/822822033.db2.gz KXWWDXMGKOJCJW-CYBMUJFWSA-N 1 2 378.394 4.367 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000053111169 822822035 /nfs/dbraw/zinc/82/20/35/822822035.db2.gz KXWWDXMGKOJCJW-CYBMUJFWSA-N 1 2 378.394 4.367 20 0 GIADLO C[C@@H](Sc1ccccc1Cl)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000053189093 822825647 /nfs/dbraw/zinc/82/56/47/822825647.db2.gz FJVSDVSYQKNNRO-CQSZACIVSA-N 1 2 375.925 4.001 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000456805500 822832858 /nfs/dbraw/zinc/83/28/58/822832858.db2.gz CRTIPHNPVHVDPG-UHFFFAOYSA-N 1 2 395.453 4.305 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N(C)CC1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185932554 822834978 /nfs/dbraw/zinc/83/49/78/822834978.db2.gz NEVRTFZEJWFKKK-CYBMUJFWSA-N 1 2 377.476 4.241 20 0 GIADLO Cc1ccc(OCc2ccc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)o2)c(C)c1 ZINC000053760144 822847237 /nfs/dbraw/zinc/84/72/37/822847237.db2.gz KVYDMTBJDAHPIC-UHFFFAOYSA-N 1 2 397.500 4.172 20 0 GIADLO Cc1ccc(OCc2ccc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)o2)c(C)c1 ZINC000053760144 822847240 /nfs/dbraw/zinc/84/72/40/822847240.db2.gz KVYDMTBJDAHPIC-UHFFFAOYSA-N 1 2 397.500 4.172 20 0 GIADLO CC[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1nc(C(F)(F)F)cs1 ZINC000174856712 822847248 /nfs/dbraw/zinc/84/72/48/822847248.db2.gz ZBDDELVRKIMACF-ZDUSSCGKSA-N 1 2 380.395 4.229 20 0 GIADLO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000174861677 822847924 /nfs/dbraw/zinc/84/79/24/822847924.db2.gz YRPWJGJQCCSNGS-OXQOHEQNSA-N 1 2 382.483 4.114 20 0 GIADLO C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[C@H]1c1ccccc1 ZINC000174862730 822848143 /nfs/dbraw/zinc/84/81/43/822848143.db2.gz UHEQPUQSTXVMCX-GHTZIAJQSA-N 1 2 378.520 4.017 20 0 GIADLO Cc1ncsc1/C=C/C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000186077460 822849739 /nfs/dbraw/zinc/84/97/39/822849739.db2.gz SJKIOCIXBNDUPS-MVGZEHJDSA-N 1 2 375.925 4.024 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C)nc2ccccc21 ZINC000174899285 822852530 /nfs/dbraw/zinc/85/25/30/822852530.db2.gz MXZLNEFDNIVJGH-UHFFFAOYSA-N 1 2 388.515 4.317 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000174906883 822853834 /nfs/dbraw/zinc/85/38/34/822853834.db2.gz GSVVZTRLXCCMBG-ZWKOTPCHSA-N 1 2 399.485 4.228 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(F)c(F)c(F)c1F ZINC000174913787 822855079 /nfs/dbraw/zinc/85/50/79/822855079.db2.gz VWCNTABCKTUMCC-UHFFFAOYSA-N 1 2 395.400 4.017 20 0 GIADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1cccc(Cl)c1Cl ZINC000053984584 822855411 /nfs/dbraw/zinc/85/54/11/822855411.db2.gz KLUCSTHMCJZGJO-UHFFFAOYSA-N 1 2 394.302 4.147 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3cccc(C)c3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000174934799 822857924 /nfs/dbraw/zinc/85/79/24/822857924.db2.gz RGECETUKQQDFTM-UHFFFAOYSA-N 1 2 387.915 4.224 20 0 GIADLO CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000054022803 822859249 /nfs/dbraw/zinc/85/92/49/822859249.db2.gz KCACRDHWTDAFCG-LJQANCHMSA-N 1 2 380.517 4.212 20 0 GIADLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)c1cccc(Br)c1 ZINC000174958748 822861344 /nfs/dbraw/zinc/86/13/44/822861344.db2.gz FRSWSZMUSRCUPK-LLVKDONJSA-N 1 2 395.244 4.090 20 0 GIADLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@@H](O)c1cccc(Br)c1 ZINC000174958748 822861345 /nfs/dbraw/zinc/86/13/45/822861345.db2.gz FRSWSZMUSRCUPK-LLVKDONJSA-N 1 2 395.244 4.090 20 0 GIADLO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1nc(C(F)(F)F)cs1 ZINC000174958869 822861365 /nfs/dbraw/zinc/86/13/65/822861365.db2.gz JJWGCXGLXYECTI-UHFFFAOYSA-N 1 2 395.809 4.415 20 0 GIADLO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1nc(C(F)(F)F)cs1 ZINC000174958869 822861367 /nfs/dbraw/zinc/86/13/67/822861367.db2.gz JJWGCXGLXYECTI-UHFFFAOYSA-N 1 2 395.809 4.415 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2c(F)cccc2Cl)cc1OC ZINC000175019124 822868413 /nfs/dbraw/zinc/86/84/13/822868413.db2.gz AWJXVRVFMNNNLY-RYUDHWBXSA-N 1 2 380.847 4.174 20 0 GIADLO O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224605 822869598 /nfs/dbraw/zinc/86/95/98/822869598.db2.gz QQGRXUXQOQLMSB-UHFFFAOYSA-N 1 2 384.461 4.378 20 0 GIADLO COc1ccc(N(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1F ZINC000569017041 822870087 /nfs/dbraw/zinc/87/00/87/822870087.db2.gz IZJMGRCVXZNGDJ-ZDUSSCGKSA-N 1 2 392.500 4.191 20 0 GIADLO COc1ccc(N(C)C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1F ZINC000569017041 822870088 /nfs/dbraw/zinc/87/00/88/822870088.db2.gz IZJMGRCVXZNGDJ-ZDUSSCGKSA-N 1 2 392.500 4.191 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054297995 822874015 /nfs/dbraw/zinc/87/40/15/822874015.db2.gz HSUNZQCQMXEMLT-UHFFFAOYSA-N 1 2 378.516 4.399 20 0 GIADLO O=C(Cc1ccccc1OC1CCCC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457428777 822874561 /nfs/dbraw/zinc/87/45/61/822874561.db2.gz YTNOFIQIIREIRQ-UHFFFAOYSA-N 1 2 389.499 4.112 20 0 GIADLO CC(C)COC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000054325277 822876611 /nfs/dbraw/zinc/87/66/11/822876611.db2.gz UCOSKBZWAXEWQS-UHFFFAOYSA-N 1 2 392.849 4.434 20 0 GIADLO Cc1ccc2[nH]cc(CCC(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)c2c1 ZINC000175076428 822878110 /nfs/dbraw/zinc/87/81/10/822878110.db2.gz UGJAADSISZYCJT-UHFFFAOYSA-N 1 2 391.515 4.188 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(Oc4ncccc4F)CC3)o2)cc1C ZINC000569092430 822879670 /nfs/dbraw/zinc/87/96/70/822879670.db2.gz DTTVKBHCQCOZIN-INIZCTEOSA-N 1 2 396.466 4.492 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)c1nnc(-c3cccc(Cl)c3)o1)C2 ZINC000054390777 822881274 /nfs/dbraw/zinc/88/12/74/822881274.db2.gz CTLZRWIQPODILV-CYBMUJFWSA-N 1 2 396.878 4.468 20 0 GIADLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)c1nnc(-c3cccc(Cl)c3)o1)C2 ZINC000054390777 822881276 /nfs/dbraw/zinc/88/12/76/822881276.db2.gz CTLZRWIQPODILV-CYBMUJFWSA-N 1 2 396.878 4.468 20 0 GIADLO COCc1nc2cc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)ccc2o1 ZINC000175108718 822883732 /nfs/dbraw/zinc/88/37/32/822883732.db2.gz BJCBZNLEQQXRMC-IBGZPJMESA-N 1 2 397.450 4.107 20 0 GIADLO COCc1nc2cc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)ccc2o1 ZINC000175108718 822883735 /nfs/dbraw/zinc/88/37/35/822883735.db2.gz BJCBZNLEQQXRMC-IBGZPJMESA-N 1 2 397.450 4.107 20 0 GIADLO Cn1c(=S)n(C[N@H+](C)Cc2cccc3ccccc32)nc1-c1cccnc1 ZINC000054545389 822894366 /nfs/dbraw/zinc/89/43/66/822894366.db2.gz GRURZPQLIVZTBE-UHFFFAOYSA-N 1 2 375.501 4.256 20 0 GIADLO Cn1c(=S)n(C[N@@H+](C)Cc2cccc3ccccc32)nc1-c1cccnc1 ZINC000054545389 822894368 /nfs/dbraw/zinc/89/43/68/822894368.db2.gz GRURZPQLIVZTBE-UHFFFAOYSA-N 1 2 375.501 4.256 20 0 GIADLO Cc1oc2ccc(NC(=O)N3CC[NH+]([C@@H](C)c4cccnc4)CC3)cc2c1C ZINC000186437464 822895550 /nfs/dbraw/zinc/89/55/50/822895550.db2.gz XTHJREGFTPLYLC-INIZCTEOSA-N 1 2 378.476 4.355 20 0 GIADLO CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000175181341 822898976 /nfs/dbraw/zinc/89/89/76/822898976.db2.gz WLKRTMCOGVEGSS-OAQYLSRUSA-N 1 2 380.536 4.235 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2Cc3ccccc3C[C@H]2C)C[C@H](C)O1 ZINC000175213039 822905699 /nfs/dbraw/zinc/90/56/99/822905699.db2.gz SPKPPNGICOYTQH-QRVBRYPASA-N 1 2 393.531 4.275 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2Cc3ccccc3C[C@H]2C)C[C@H](C)O1 ZINC000175213039 822905702 /nfs/dbraw/zinc/90/57/02/822905702.db2.gz SPKPPNGICOYTQH-QRVBRYPASA-N 1 2 393.531 4.275 20 0 GIADLO Cc1ccc(CSc2nnc(N3CCC(C)CC3)n2Cc2ccco2)c(C)[nH+]1 ZINC000186547670 822911518 /nfs/dbraw/zinc/91/15/18/822911518.db2.gz IZXPDSWOPPDQSJ-UHFFFAOYSA-N 1 2 397.548 4.460 20 0 GIADLO Cc1ncsc1/C=C/C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000186592897 822919546 /nfs/dbraw/zinc/91/95/46/822919546.db2.gz XYEWZMWXHRYROP-MVGZEHJDSA-N 1 2 375.925 4.024 20 0 GIADLO O=C(CCSc1ccc(F)cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000054911254 822920953 /nfs/dbraw/zinc/92/09/53/822920953.db2.gz MBXIBGUQAWDMLI-UHFFFAOYSA-N 1 2 379.526 4.389 20 0 GIADLO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000569430561 822921854 /nfs/dbraw/zinc/92/18/54/822921854.db2.gz HLCISRCMHFVPFT-GOEBONIOSA-N 1 2 379.291 4.162 20 0 GIADLO CCCCCC[C@@H](C)CC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186619410 822924661 /nfs/dbraw/zinc/92/46/61/822924661.db2.gz YPRBASUXAVUSPO-LJQANCHMSA-N 1 2 387.568 4.286 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC000186626312 822925529 /nfs/dbraw/zinc/92/55/29/822925529.db2.gz FRWRAOSHLRWHMV-OPAMFIHVSA-N 1 2 384.907 4.415 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC000186626312 822925531 /nfs/dbraw/zinc/92/55/31/822925531.db2.gz FRWRAOSHLRWHMV-OPAMFIHVSA-N 1 2 384.907 4.415 20 0 GIADLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1nc(-c3cccs3)cs1)C2 ZINC000569481006 822928217 /nfs/dbraw/zinc/92/82/17/822928217.db2.gz VXIHJSJRXVPPKF-UHFFFAOYSA-N 1 2 399.541 4.267 20 0 GIADLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1nc(-c3cccs3)cs1)C2 ZINC000569481006 822928218 /nfs/dbraw/zinc/92/82/18/822928218.db2.gz VXIHJSJRXVPPKF-UHFFFAOYSA-N 1 2 399.541 4.267 20 0 GIADLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000186650219 822929580 /nfs/dbraw/zinc/92/95/80/822929580.db2.gz CQUGSPZVTNJYEA-UHFFFAOYSA-N 1 2 399.221 4.287 20 0 GIADLO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)c1cccs1 ZINC000186662067 822932069 /nfs/dbraw/zinc/93/20/69/822932069.db2.gz GXJODVCVGTZFNX-IFMALSPDSA-N 1 2 384.545 4.083 20 0 GIADLO CC(C)(C)[C@H](NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12)c1cccs1 ZINC000186662067 822932073 /nfs/dbraw/zinc/93/20/73/822932073.db2.gz GXJODVCVGTZFNX-IFMALSPDSA-N 1 2 384.545 4.083 20 0 GIADLO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1nc2c(s1)CCC2 ZINC000457921141 822936327 /nfs/dbraw/zinc/93/63/27/822936327.db2.gz NCUUXXYVSOWWLL-KBXCAEBGSA-N 1 2 387.524 4.003 20 0 GIADLO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1nc2c(s1)CCC2 ZINC000457921141 822936330 /nfs/dbraw/zinc/93/63/30/822936330.db2.gz NCUUXXYVSOWWLL-KBXCAEBGSA-N 1 2 387.524 4.003 20 0 GIADLO Cc1sc2nc([C@H](C)[NH+]3CCC(c4ccc(O)cc4)CC3)[nH]c(=O)c2c1C ZINC000055103356 822938508 /nfs/dbraw/zinc/93/85/08/822938508.db2.gz UMGQQJIFGWMANI-ZDUSSCGKSA-N 1 2 383.517 4.248 20 0 GIADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000457979279 822947098 /nfs/dbraw/zinc/94/70/98/822947098.db2.gz SIEIIARUFQPIGM-GZBFAFLISA-N 1 2 398.404 4.272 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000569646303 822949560 /nfs/dbraw/zinc/94/95/60/822949560.db2.gz UXPBEAQKMPFMFY-RTWAWAEBSA-N 1 2 378.520 4.207 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000175404728 822960744 /nfs/dbraw/zinc/96/07/44/822960744.db2.gz JFNWISBBOXIOLY-YDBLSZJJSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000175404728 822960747 /nfs/dbraw/zinc/96/07/47/822960747.db2.gz JFNWISBBOXIOLY-YDBLSZJJSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000175404773 822960806 /nfs/dbraw/zinc/96/08/06/822960806.db2.gz JFNWISBBOXIOLY-XELLLNAOSA-N 1 2 399.343 4.362 20 0 GIADLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000175404773 822960810 /nfs/dbraw/zinc/96/08/10/822960810.db2.gz JFNWISBBOXIOLY-XELLLNAOSA-N 1 2 399.343 4.362 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175409422 822961629 /nfs/dbraw/zinc/96/16/29/822961629.db2.gz XOPRCLOZKGZETA-JWIGPWBQSA-N 1 2 386.561 4.180 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175409422 822961631 /nfs/dbraw/zinc/96/16/31/822961631.db2.gz XOPRCLOZKGZETA-JWIGPWBQSA-N 1 2 386.561 4.180 20 0 GIADLO CC[C@@H](C)[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc2ccccc2[nH]1 ZINC000055441912 822963122 /nfs/dbraw/zinc/96/31/22/822963122.db2.gz GVAFFCFNIYWDNJ-IIBYNOLFSA-N 1 2 387.487 4.325 20 0 GIADLO CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000175434098 822967845 /nfs/dbraw/zinc/96/78/45/822967845.db2.gz ZVGICUQDXGFAJC-INIZCTEOSA-N 1 2 397.548 4.161 20 0 GIADLO CC(C)C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000458221042 822970468 /nfs/dbraw/zinc/97/04/68/822970468.db2.gz LRPGLOQIXLNEAT-KRWDZBQOSA-N 1 2 382.430 4.068 20 0 GIADLO C[C@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ncc(Br)cc1F ZINC000186921504 822980313 /nfs/dbraw/zinc/98/03/13/822980313.db2.gz IXRBYCYBLWMNFB-XJKSGUPXSA-N 1 2 396.304 4.454 20 0 GIADLO O=C(N[C@H](C1CCCC1)C(F)(F)F)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000569908099 822984398 /nfs/dbraw/zinc/98/43/98/822984398.db2.gz LMKSTSSWUDDMIK-QGZVFWFLSA-N 1 2 398.473 4.230 20 0 GIADLO CC(C)C[N@H+](Cc1ccc(S(C)(=O)=O)s1)[C@@H]1CCCc2cccnc21 ZINC000569939788 822988164 /nfs/dbraw/zinc/98/81/64/822988164.db2.gz PQNQWCPKHACTMJ-QGZVFWFLSA-N 1 2 378.563 4.082 20 0 GIADLO CC(C)C[N@@H+](Cc1ccc(S(C)(=O)=O)s1)[C@@H]1CCCc2cccnc21 ZINC000569939788 822988167 /nfs/dbraw/zinc/98/81/67/822988167.db2.gz PQNQWCPKHACTMJ-QGZVFWFLSA-N 1 2 378.563 4.082 20 0 GIADLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000175528273 822991416 /nfs/dbraw/zinc/99/14/16/822991416.db2.gz PJMTZFUSTLSUFA-GFCCVEGCSA-N 1 2 375.444 4.230 20 0 GIADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000175528273 822991417 /nfs/dbraw/zinc/99/14/17/822991417.db2.gz PJMTZFUSTLSUFA-GFCCVEGCSA-N 1 2 375.444 4.230 20 0 GIADLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(C(C)(F)F)c2)CC1 ZINC000186996177 822994199 /nfs/dbraw/zinc/99/41/99/822994199.db2.gz QEVSZNUWWMALSL-UHFFFAOYSA-N 1 2 389.446 4.157 20 0 GIADLO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000175561214 822997884 /nfs/dbraw/zinc/99/78/84/822997884.db2.gz VSLSDKGMEFMJHJ-VGOFRKELSA-N 1 2 392.478 4.363 20 0 GIADLO CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000055696148 823000125 /nfs/dbraw/zinc/00/01/25/823000125.db2.gz RABAAXDWZDFQFM-UHFFFAOYSA-N 1 2 392.459 4.149 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000055696361 823000276 /nfs/dbraw/zinc/00/02/76/823000276.db2.gz RDWHCIRCIVWFHG-UHFFFAOYSA-N 1 2 396.450 4.055 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccccc1OC(F)(F)F ZINC000570078897 823003983 /nfs/dbraw/zinc/00/39/83/823003983.db2.gz CHLOECHFTCWGFM-UHFFFAOYSA-N 1 2 390.365 4.152 20 0 GIADLO COc1cc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)ccc1F ZINC000187087758 823009077 /nfs/dbraw/zinc/00/90/77/823009077.db2.gz ANRPTAYJRJQGIX-ICSRJNTNSA-N 1 2 380.423 4.081 20 0 GIADLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)cn2c1 ZINC000175667353 823016380 /nfs/dbraw/zinc/01/63/80/823016380.db2.gz RJHSZSXUZWSJCZ-MAUKXSAKSA-N 1 2 383.517 4.469 20 0 GIADLO C[C@@H](CNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)Cn1cc[nH+]c1 ZINC000187191175 823022992 /nfs/dbraw/zinc/02/29/92/823022992.db2.gz RCSRVTJRQAOECR-LBPRGKRZSA-N 1 2 385.817 4.039 20 0 GIADLO Cc1ccc(C[S@](=O)CCc2cc(Cl)c3c(c2)OCCCO3)c(C)[nH+]1 ZINC000187213373 823025738 /nfs/dbraw/zinc/02/57/38/823025738.db2.gz NKTMFTACHOFLKW-RUZDIDTESA-N 1 2 379.909 4.005 20 0 GIADLO Cc1ccc(C[S@](=O)[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(C)[nH+]1 ZINC000187215732 823026032 /nfs/dbraw/zinc/02/60/32/823026032.db2.gz WKYSBQKOPNAZLB-SEXAOGGLSA-N 1 2 398.572 4.092 20 0 GIADLO C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)ccc1Cl ZINC000187270114 823033981 /nfs/dbraw/zinc/03/39/81/823033981.db2.gz YPBVUUFXZWMHRS-JSGCOSHPSA-N 1 2 379.291 4.028 20 0 GIADLO C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)ccc1Cl ZINC000187270715 823034181 /nfs/dbraw/zinc/03/41/81/823034181.db2.gz YPBVUUFXZWMHRS-TZMCWYRMSA-N 1 2 379.291 4.028 20 0 GIADLO COc1ccccc1[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccco1 ZINC000187308534 823040717 /nfs/dbraw/zinc/04/07/17/823040717.db2.gz NADZJEPSTSXADB-QHCPKHFHSA-N 1 2 376.456 4.076 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCCc3c(O)cccc32)C[C@@H](C)O1 ZINC000190145319 823542817 /nfs/dbraw/zinc/54/28/17/823542817.db2.gz DTGKFXQVFKXOGM-CBGDNZLLSA-N 1 2 394.515 4.060 20 0 GIADLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1ccc(SC)cc1)CCC2 ZINC000177894193 823543016 /nfs/dbraw/zinc/54/30/16/823543016.db2.gz UFGCCMXBTKYQEB-INIZCTEOSA-N 1 2 375.563 4.375 20 0 GIADLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1ccc(SC)cc1)CCC2 ZINC000177894193 823543020 /nfs/dbraw/zinc/54/30/20/823543020.db2.gz UFGCCMXBTKYQEB-INIZCTEOSA-N 1 2 375.563 4.375 20 0 GIADLO COCc1c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)sc2cccc(F)c21 ZINC000123816259 823542995 /nfs/dbraw/zinc/54/29/95/823542995.db2.gz XJPFDLUMWSKNLH-CZUORRHYSA-N 1 2 387.480 4.107 20 0 GIADLO COCc1c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)sc2cccc(F)c21 ZINC000123816060 823543037 /nfs/dbraw/zinc/54/30/37/823543037.db2.gz XJPFDLUMWSKNLH-BBRMVZONSA-N 1 2 387.480 4.107 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCCc4c(O)cccc43)n2)C1 ZINC000190178021 823546926 /nfs/dbraw/zinc/54/69/26/823546926.db2.gz BXJPJYKQFZWPMY-KBXCAEBGSA-N 1 2 385.533 4.139 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCCc4c(O)cccc43)n2)C1 ZINC000190178021 823546931 /nfs/dbraw/zinc/54/69/31/823546931.db2.gz BXJPJYKQFZWPMY-KBXCAEBGSA-N 1 2 385.533 4.139 20 0 GIADLO CC(=O)c1csc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000123911516 823551067 /nfs/dbraw/zinc/55/10/67/823551067.db2.gz IGDCIVMIMDHWLL-FZKQIMNGSA-N 1 2 394.899 4.166 20 0 GIADLO CC(=O)c1csc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000123911516 823551071 /nfs/dbraw/zinc/55/10/71/823551071.db2.gz IGDCIVMIMDHWLL-FZKQIMNGSA-N 1 2 394.899 4.166 20 0 GIADLO COc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c(OC(F)F)c1 ZINC000123997781 823558740 /nfs/dbraw/zinc/55/87/40/823558740.db2.gz FVZNVFFAAFKPJM-UHFFFAOYSA-N 1 2 375.415 4.392 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)c1C ZINC000124022919 823560831 /nfs/dbraw/zinc/56/08/31/823560831.db2.gz OCDMEZPQQCQAQZ-OAHLLOKOSA-N 1 2 390.553 4.498 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)c(C)[nH+]1 ZINC000411261218 823560903 /nfs/dbraw/zinc/56/09/03/823560903.db2.gz PKKHZOWFRKIXLO-XTDINYQCSA-N 1 2 385.895 4.112 20 0 GIADLO C[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000124056187 823563682 /nfs/dbraw/zinc/56/36/82/823563682.db2.gz OMORTDYKVOSHPM-RHSMWYFYSA-N 1 2 396.318 4.459 20 0 GIADLO CCOc1ccc(C[NH2+][C@H](c2ccccn2)c2ccccc2OC)cc1OC ZINC000124091952 823566998 /nfs/dbraw/zinc/56/69/98/823566998.db2.gz RXQNMSGHGMBYMT-QHCPKHFHSA-N 1 2 378.472 4.377 20 0 GIADLO COc1cc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)ccc1OC(F)F ZINC000060935088 823567970 /nfs/dbraw/zinc/56/79/70/823567970.db2.gz XGFSXNJEWPPZCR-VMPITWQZSA-N 1 2 388.458 4.128 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCSC[C@@H](C)C2)cs1)c1ccc(F)cc1 ZINC000190415462 823570766 /nfs/dbraw/zinc/57/07/66/823570766.db2.gz JARVYZHHLWHGHP-ZDUSSCGKSA-N 1 2 379.526 4.152 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCSC[C@@H](C)C2)cs1)c1ccc(F)cc1 ZINC000190415462 823570767 /nfs/dbraw/zinc/57/07/67/823570767.db2.gz JARVYZHHLWHGHP-ZDUSSCGKSA-N 1 2 379.526 4.152 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)Nc2cccc(COC(C)(C)C)c2C)c(C)[nH+]1 ZINC000411418461 823571842 /nfs/dbraw/zinc/57/18/42/823571842.db2.gz HIZOXZHAUDLGKY-UHFFFAOYSA-N 1 2 383.492 4.208 20 0 GIADLO CC(C)(C)c1cc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)no1 ZINC000124152857 823572237 /nfs/dbraw/zinc/57/22/37/823572237.db2.gz MABSZOQVNCSHNJ-LPHOPBHVSA-N 1 2 379.464 4.219 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000411431000 823573421 /nfs/dbraw/zinc/57/34/21/823573421.db2.gz SJIAKNOCBAYXHD-HOCLYGCPSA-N 1 2 387.911 4.249 20 0 GIADLO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c(C)c1 ZINC000461107477 823578799 /nfs/dbraw/zinc/57/87/99/823578799.db2.gz JJLAEJCAKVGNHG-QGZVFWFLSA-N 1 2 390.886 4.191 20 0 GIADLO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c(C)c1 ZINC000461107477 823578802 /nfs/dbraw/zinc/57/88/02/823578802.db2.gz JJLAEJCAKVGNHG-QGZVFWFLSA-N 1 2 390.886 4.191 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1nc(C(F)(F)F)cs1 ZINC000411521936 823584312 /nfs/dbraw/zinc/58/43/12/823584312.db2.gz ZMIBFFXGZNRBDC-RDBSUJKOSA-N 1 2 389.487 4.384 20 0 GIADLO C[C@@H]([NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21)c1nc(C2CCCCC2)no1 ZINC000411525345 823584744 /nfs/dbraw/zinc/58/47/44/823584744.db2.gz AXMYHKAIDUZSTC-OXQOHEQNSA-N 1 2 396.535 4.352 20 0 GIADLO C[C@H]([NH2+]CCC(=O)N[C@H]1CCCc2ccccc21)c1nc(C2CCCCC2)no1 ZINC000411525343 823584778 /nfs/dbraw/zinc/58/47/78/823584778.db2.gz AXMYHKAIDUZSTC-JXFKEZNVSA-N 1 2 396.535 4.352 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)C(C)C)c(C)[nH+]1 ZINC000411535200 823585742 /nfs/dbraw/zinc/58/57/42/823585742.db2.gz QTOYFFXPOFJLBM-GOSISDBHSA-N 1 2 387.911 4.155 20 0 GIADLO C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)no1 ZINC000411537429 823585961 /nfs/dbraw/zinc/58/59/61/823585961.db2.gz STISDRFTWDQHCH-NSHDSACASA-N 1 2 384.402 4.065 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000190562972 823586831 /nfs/dbraw/zinc/58/68/31/823586831.db2.gz DWLOANTWYQDWIC-LJQANCHMSA-N 1 2 397.567 4.229 20 0 GIADLO C=C(C)CNC(=S)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000061247971 823587120 /nfs/dbraw/zinc/58/71/20/823587120.db2.gz KVJFTLIZFWHUHZ-UHFFFAOYSA-N 1 2 380.920 4.019 20 0 GIADLO CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)CC2)[nH]1 ZINC000190670662 823596946 /nfs/dbraw/zinc/59/69/46/823596946.db2.gz KQHIWANZALEPLC-HOTGVXAUSA-N 1 2 383.540 4.087 20 0 GIADLO CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)CC2)n1 ZINC000190670662 823596951 /nfs/dbraw/zinc/59/69/51/823596951.db2.gz KQHIWANZALEPLC-HOTGVXAUSA-N 1 2 383.540 4.087 20 0 GIADLO CCc1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)CC2)n[nH]1 ZINC000190670662 823596956 /nfs/dbraw/zinc/59/69/56/823596956.db2.gz KQHIWANZALEPLC-HOTGVXAUSA-N 1 2 383.540 4.087 20 0 GIADLO CC1(C)CC[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CCS1 ZINC000411705066 823598226 /nfs/dbraw/zinc/59/82/26/823598226.db2.gz YKLKFTCKXXDGAP-UHFFFAOYSA-N 1 2 375.519 4.374 20 0 GIADLO CC1(C)CC[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CCS1 ZINC000411705066 823598231 /nfs/dbraw/zinc/59/82/31/823598231.db2.gz YKLKFTCKXXDGAP-UHFFFAOYSA-N 1 2 375.519 4.374 20 0 GIADLO CCCOc1ccc(S(=O)(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)cc1 ZINC000461211699 823599644 /nfs/dbraw/zinc/59/96/44/823599644.db2.gz MZWHCNZQSRIVNM-UHFFFAOYSA-N 1 2 385.489 4.079 20 0 GIADLO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000411730741 823600804 /nfs/dbraw/zinc/60/08/04/823600804.db2.gz IYUBZEAIOUBXRH-LJQANCHMSA-N 1 2 398.894 4.391 20 0 GIADLO COc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000411730741 823600805 /nfs/dbraw/zinc/60/08/05/823600805.db2.gz IYUBZEAIOUBXRH-LJQANCHMSA-N 1 2 398.894 4.391 20 0 GIADLO CC1CCN(c2cccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cccnc3)c2)CC1 ZINC000124497707 823601555 /nfs/dbraw/zinc/60/15/55/823601555.db2.gz ZNTODMFIVLROQZ-QHCPKHFHSA-N 1 2 392.547 4.311 20 0 GIADLO CC1CCN(c2cccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3cccnc3)c2)CC1 ZINC000124497707 823601556 /nfs/dbraw/zinc/60/15/56/823601556.db2.gz ZNTODMFIVLROQZ-QHCPKHFHSA-N 1 2 392.547 4.311 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000124516983 823602894 /nfs/dbraw/zinc/60/28/94/823602894.db2.gz GDHJWBYXWBZEAJ-HNAYVOBHSA-N 1 2 396.878 4.447 20 0 GIADLO O=C(Nc1ccc(-c2nccs2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000124537284 823604617 /nfs/dbraw/zinc/60/46/17/823604617.db2.gz YVTTVOSIOUKORV-UHFFFAOYSA-N 1 2 384.530 4.221 20 0 GIADLO CC[C@@H](Cc1ccccc1)N(C)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000461252096 823604678 /nfs/dbraw/zinc/60/46/78/823604678.db2.gz VNBJDIYFGRJKBB-FQEVSTJZSA-N 1 2 381.545 4.356 20 0 GIADLO C[N@@H+]1CCc2nc(NC(=O)CCCc3cc(Cl)sc3Cl)sc2C1 ZINC000124557424 823606220 /nfs/dbraw/zinc/60/62/20/823606220.db2.gz POPKOOICPUJCER-UHFFFAOYSA-N 1 2 390.361 4.461 20 0 GIADLO C[N@H+]1CCc2nc(NC(=O)CCCc3cc(Cl)sc3Cl)sc2C1 ZINC000124557424 823606224 /nfs/dbraw/zinc/60/62/24/823606224.db2.gz POPKOOICPUJCER-UHFFFAOYSA-N 1 2 390.361 4.461 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCc1cccc2ccccc21 ZINC000124563485 823606837 /nfs/dbraw/zinc/60/68/37/823606837.db2.gz KRFLWEHDFXXVET-UHFFFAOYSA-N 1 2 384.483 4.127 20 0 GIADLO COc1cc(Br)c(CNc2ccc(N3CCCC3)[nH+]c2)cc1OC ZINC000124567771 823607108 /nfs/dbraw/zinc/60/71/08/823607108.db2.gz VHWJTVVTKSMHGT-UHFFFAOYSA-N 1 2 392.297 4.074 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)cc1 ZINC000061672760 823608351 /nfs/dbraw/zinc/60/83/51/823608351.db2.gz TWLXRAUNZGVPAT-UHFFFAOYSA-N 1 2 391.874 4.228 20 0 GIADLO CC(C)c1c(C(=O)N2CCC(n3cc[nH+]c3)CC2)cnn1-c1ccccc1Cl ZINC000190793064 823609627 /nfs/dbraw/zinc/60/96/27/823609627.db2.gz WPKOCPZZNDOWMM-UHFFFAOYSA-N 1 2 397.910 4.323 20 0 GIADLO CCc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)c2nccs2)c2cccs2)cc1 ZINC000411879820 823612326 /nfs/dbraw/zinc/61/23/26/823612326.db2.gz LKESCNBOKCNYNE-LIRRHRJNSA-N 1 2 385.558 4.323 20 0 GIADLO Cc1ccc(OCc2nc(C[N@@H+]3C[C@H](O)C[C@H]3c3ccccc3)cs2)cc1 ZINC000411934157 823615042 /nfs/dbraw/zinc/61/50/42/823615042.db2.gz HHFBYEUGUOOTDP-CTNGQTDRSA-N 1 2 380.513 4.338 20 0 GIADLO Cc1ccc(OCc2nc(C[N@H+]3C[C@H](O)C[C@H]3c3ccccc3)cs2)cc1 ZINC000411934157 823615043 /nfs/dbraw/zinc/61/50/43/823615043.db2.gz HHFBYEUGUOOTDP-CTNGQTDRSA-N 1 2 380.513 4.338 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000190845190 823615721 /nfs/dbraw/zinc/61/57/21/823615721.db2.gz GHSOVXXUUYTOCI-BDAKNGLRSA-N 1 2 393.335 4.457 20 0 GIADLO Cc1ccsc1CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000061939711 823618998 /nfs/dbraw/zinc/61/89/98/823618998.db2.gz DTMZOHFDERFZMH-INIZCTEOSA-N 1 2 395.931 4.485 20 0 GIADLO CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000461336510 823619818 /nfs/dbraw/zinc/61/98/18/823619818.db2.gz XFTHOEBQDIBQAS-PWIZWCRZSA-N 1 2 376.422 4.159 20 0 GIADLO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000461336510 823619819 /nfs/dbraw/zinc/61/98/19/823619819.db2.gz XFTHOEBQDIBQAS-PWIZWCRZSA-N 1 2 376.422 4.159 20 0 GIADLO Cc1cc(F)c(Br)cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000190895948 823621185 /nfs/dbraw/zinc/62/11/85/823621185.db2.gz GTPJUTBXUVVIDE-BDJLRTHQSA-N 1 2 395.276 4.208 20 0 GIADLO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000412062676 823625255 /nfs/dbraw/zinc/62/52/55/823625255.db2.gz IOZHZZNOQUZBBR-CQSZACIVSA-N 1 2 398.906 4.252 20 0 GIADLO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000412062676 823625258 /nfs/dbraw/zinc/62/52/58/823625258.db2.gz IOZHZZNOQUZBBR-CQSZACIVSA-N 1 2 398.906 4.252 20 0 GIADLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c1 ZINC000124804540 823627597 /nfs/dbraw/zinc/62/75/97/823627597.db2.gz XSBSSFKMZZVRIK-HNNXBMFYSA-N 1 2 395.478 4.368 20 0 GIADLO O=C(c1ccc(Cl)cc1F)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000461394960 823628992 /nfs/dbraw/zinc/62/89/92/823628992.db2.gz RKNJRMFJFJHTGV-UHFFFAOYSA-N 1 2 382.813 4.375 20 0 GIADLO COc1ccnc(C[NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1OC ZINC000191041985 823641436 /nfs/dbraw/zinc/64/14/36/823641436.db2.gz BEPORJDFUGPNDE-MRXNPFEDSA-N 1 2 391.471 4.202 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC1 ZINC000412269876 823642023 /nfs/dbraw/zinc/64/20/23/823642023.db2.gz MBPURJXDGMXNNM-IERDGZPVSA-N 1 2 384.545 4.243 20 0 GIADLO C[C@@H](SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(F)cc1 ZINC000062696481 823644630 /nfs/dbraw/zinc/64/46/30/823644630.db2.gz JTVIEQPDVJBSGW-CYBMUJFWSA-N 1 2 379.526 4.311 20 0 GIADLO COc1cc(Cl)c(F)c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000412319952 823646169 /nfs/dbraw/zinc/64/61/69/823646169.db2.gz LCYOKKQLYXKYAJ-ZDUSSCGKSA-N 1 2 391.874 4.040 20 0 GIADLO CC1(C)C[C@@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc2O1 ZINC000412320043 823646178 /nfs/dbraw/zinc/64/61/78/823646178.db2.gz LKXADXRQEGEQQJ-FXAWDEMLSA-N 1 2 393.531 4.270 20 0 GIADLO Fc1cc(CNC(=S)Nc2ccc(OC(F)F)cc2)ccc1-n1cc[nH+]c1 ZINC000063176197 823654127 /nfs/dbraw/zinc/65/41/27/823654127.db2.gz LFIRVHCZYRVWMY-UHFFFAOYSA-N 1 2 392.406 4.099 20 0 GIADLO CC(=O)N(c1nc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)cs1)c1ccc(Cl)cc1 ZINC000191158703 823654685 /nfs/dbraw/zinc/65/46/85/823654685.db2.gz LRGWIWDBSWARFX-CHWSQXEVSA-N 1 2 393.940 4.215 20 0 GIADLO CCOCCOc1c(Cl)cccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000063264300 823658156 /nfs/dbraw/zinc/65/81/56/823658156.db2.gz DZGOEKUUNIYQQO-UHFFFAOYSA-N 1 2 399.878 4.252 20 0 GIADLO CN(C)c1ccc(N2CCC([NH2+]Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC000191210557 823659377 /nfs/dbraw/zinc/65/93/77/823659377.db2.gz LGJSZIMDVXNTGA-UHFFFAOYSA-N 1 2 377.891 4.009 20 0 GIADLO Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2C(C)C)cc1 ZINC000125291875 823665371 /nfs/dbraw/zinc/66/53/71/823665371.db2.gz WIBVEFGIKAWYSZ-NQIIRXRSSA-N 1 2 391.519 4.224 20 0 GIADLO Clc1sc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1Br ZINC000191285813 823667453 /nfs/dbraw/zinc/66/74/53/823667453.db2.gz UQNYORVDTSWOCY-GFCCVEGCSA-N 1 2 394.762 4.324 20 0 GIADLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000191291006 823668200 /nfs/dbraw/zinc/66/82/00/823668200.db2.gz HUDGZIJWUSBKRH-LLVKDONJSA-N 1 2 393.778 4.292 20 0 GIADLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000191291006 823668204 /nfs/dbraw/zinc/66/82/04/823668204.db2.gz HUDGZIJWUSBKRH-LLVKDONJSA-N 1 2 393.778 4.292 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@H](c3ccccc3)C3(CCC3)C1)C2 ZINC000412684009 823674875 /nfs/dbraw/zinc/67/48/75/823674875.db2.gz XSPGNHUTXPNNIF-RBUKOAKNSA-N 1 2 377.532 4.434 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@H](c3ccccc3)C3(CCC3)C1)CC2 ZINC000412684009 823674877 /nfs/dbraw/zinc/67/48/77/823674877.db2.gz XSPGNHUTXPNNIF-RBUKOAKNSA-N 1 2 377.532 4.434 20 0 GIADLO C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000063492081 823675764 /nfs/dbraw/zinc/67/57/64/823675764.db2.gz VOIVCDKOPCREMF-QRWLVFNGSA-N 1 2 395.528 4.069 20 0 GIADLO C[C@H]1CN(C(=O)CCCCC(=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000412693357 823675740 /nfs/dbraw/zinc/67/57/40/823675740.db2.gz FRNGBXRCLGUGEE-FQEVSTJZSA-N 1 2 378.516 4.163 20 0 GIADLO C[C@H]1CN(C(=O)CCCCC(=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000412693357 823675743 /nfs/dbraw/zinc/67/57/43/823675743.db2.gz FRNGBXRCLGUGEE-FQEVSTJZSA-N 1 2 378.516 4.163 20 0 GIADLO Fc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000063580214 823680860 /nfs/dbraw/zinc/68/08/60/823680860.db2.gz BWOTUMOKANUKDY-GOSISDBHSA-N 1 2 380.257 4.041 20 0 GIADLO Fc1ccc(OCC[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000063580214 823680862 /nfs/dbraw/zinc/68/08/62/823680862.db2.gz BWOTUMOKANUKDY-GOSISDBHSA-N 1 2 380.257 4.041 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc(OC(F)F)c(F)c1 ZINC000125529801 823682966 /nfs/dbraw/zinc/68/29/66/823682966.db2.gz SRMZCIYWXBQOIW-UHFFFAOYSA-N 1 2 394.397 4.134 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccn3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000125596862 823688538 /nfs/dbraw/zinc/68/85/38/823688538.db2.gz GFBDKJDBRKXILY-VQIMIIECSA-N 1 2 378.501 4.153 20 0 GIADLO O=C(NCCNc1cccc[nH+]1)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000063705932 823690325 /nfs/dbraw/zinc/69/03/25/823690325.db2.gz UAELJQTXUMSAJB-UHFFFAOYSA-N 1 2 395.513 4.338 20 0 GIADLO COc1ccc([C@H]([NH2+][C@@H]2CCSc3ccc(OC)cc32)c2nccn2C)cc1 ZINC000191492403 823690835 /nfs/dbraw/zinc/69/08/35/823690835.db2.gz AVNAHYSXTDGASR-CTNGQTDRSA-N 1 2 395.528 4.353 20 0 GIADLO CCCC[N@@H+](Cc1ccccc1F)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000063730391 823692527 /nfs/dbraw/zinc/69/25/27/823692527.db2.gz LNGQJHCHPSWEHZ-UHFFFAOYSA-N 1 2 383.427 4.252 20 0 GIADLO CCCC[N@H+](Cc1ccccc1F)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000063730391 823692529 /nfs/dbraw/zinc/69/25/29/823692529.db2.gz LNGQJHCHPSWEHZ-UHFFFAOYSA-N 1 2 383.427 4.252 20 0 GIADLO COc1ccc(C[N@H+](Cc2cccnc2)C(C)C)c(Br)c1OC ZINC000125653953 823693898 /nfs/dbraw/zinc/69/38/98/823693898.db2.gz RHYCGVLIJORHQN-UHFFFAOYSA-N 1 2 379.298 4.272 20 0 GIADLO COc1ccc(C[N@@H+](Cc2cccnc2)C(C)C)c(Br)c1OC ZINC000125653953 823693900 /nfs/dbraw/zinc/69/39/00/823693900.db2.gz RHYCGVLIJORHQN-UHFFFAOYSA-N 1 2 379.298 4.272 20 0 GIADLO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3C(C)C)CC2)s1 ZINC000125657574 823694268 /nfs/dbraw/zinc/69/42/68/823694268.db2.gz LJIQZZHXDQQGOC-UHFFFAOYSA-N 1 2 399.560 4.013 20 0 GIADLO FC(F)(F)Oc1ccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000063790334 823696393 /nfs/dbraw/zinc/69/63/93/823696393.db2.gz XQWRWORTNXYBRZ-UHFFFAOYSA-N 1 2 392.406 4.258 20 0 GIADLO C[C@@H](c1nnc(S[C@@H]2CCOC(C)(C)C2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000412983388 823697245 /nfs/dbraw/zinc/69/72/45/823697245.db2.gz NHPFULMCOXNWHX-XJKSGUPXSA-N 1 2 378.517 4.079 20 0 GIADLO CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)c1 ZINC000125712570 823699261 /nfs/dbraw/zinc/69/92/61/823699261.db2.gz CAYRCGFCHVODCY-SFHVURJKSA-N 1 2 388.943 4.198 20 0 GIADLO CNC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)c1 ZINC000125712570 823699265 /nfs/dbraw/zinc/69/92/65/823699265.db2.gz CAYRCGFCHVODCY-SFHVURJKSA-N 1 2 388.943 4.198 20 0 GIADLO Cc1cc(N)nc(SCc2coc(-c3ccc(Br)cc3)n2)[nH+]1 ZINC000063846599 823701134 /nfs/dbraw/zinc/70/11/34/823701134.db2.gz WDAFFITUPZLCBR-UHFFFAOYSA-N 1 2 377.267 4.077 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000413076618 823704004 /nfs/dbraw/zinc/70/40/04/823704004.db2.gz RBWURBXVXNKHCI-NRFANRHFSA-N 1 2 390.531 4.161 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)c2cn(C(C)C)nc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574337931 823704774 /nfs/dbraw/zinc/70/47/74/823704774.db2.gz NCMUFDOUCPBTRX-RTBURBONSA-N 1 2 392.906 4.130 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)c2cn(C(C)C)nc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574337931 823704779 /nfs/dbraw/zinc/70/47/79/823704779.db2.gz NCMUFDOUCPBTRX-RTBURBONSA-N 1 2 392.906 4.130 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000574338300 823704928 /nfs/dbraw/zinc/70/49/28/823704928.db2.gz RXEALPKRJKEYOO-NOZJJQNGSA-N 1 2 379.304 4.027 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000574338300 823704930 /nfs/dbraw/zinc/70/49/30/823704930.db2.gz RXEALPKRJKEYOO-NOZJJQNGSA-N 1 2 379.304 4.027 20 0 GIADLO COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000574353508 823707235 /nfs/dbraw/zinc/70/72/35/823707235.db2.gz FIGXGBUKGHFGJG-GFCCVEGCSA-N 1 2 382.247 4.082 20 0 GIADLO C[NH+](C)[C@H](c1nc(-c2cnc(-c3ccccc3)nc2)no1)c1cccc(Cl)c1 ZINC000574364717 823709329 /nfs/dbraw/zinc/70/93/29/823709329.db2.gz KNURKILVTZTFKL-SFHVURJKSA-N 1 2 391.862 4.498 20 0 GIADLO Cc1cc(CSc2ccccc2C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)on1 ZINC000125784832 823709914 /nfs/dbraw/zinc/70/99/14/823709914.db2.gz MYRJJLJJAHJSDC-DNVCBOLYSA-N 1 2 396.516 4.195 20 0 GIADLO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)c(C)c1 ZINC000191603300 823709916 /nfs/dbraw/zinc/70/99/16/823709916.db2.gz LMYPUHBVVCEWSL-QZTJIDSGSA-N 1 2 392.503 4.345 20 0 GIADLO CN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000413124434 823711292 /nfs/dbraw/zinc/71/12/92/823711292.db2.gz ORDCFNKRFPRALI-NHCUHLMSSA-N 1 2 380.536 4.130 20 0 GIADLO O=C(CSCc1cscn1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000574394780 823718522 /nfs/dbraw/zinc/71/85/22/823718522.db2.gz RTEGWLAZRWKXQJ-UHFFFAOYSA-N 1 2 384.530 4.215 20 0 GIADLO C[C@H]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000125819490 823718615 /nfs/dbraw/zinc/71/86/15/823718615.db2.gz UWRMQICXLILLKL-YJBOKZPZSA-N 1 2 398.894 4.234 20 0 GIADLO COc1ccccc1-c1ccc([C@H](C)Nc2cc(NC[C@@H](C)O)[nH+]cn2)cc1 ZINC000413174140 823721110 /nfs/dbraw/zinc/72/11/10/823721110.db2.gz PUSSPXQNWFISKE-CVEARBPZSA-N 1 2 378.476 4.118 20 0 GIADLO COc1ccccc1-c1ccc([C@H](C)Nc2cc(NC[C@@H](C)O)nc[nH+]2)cc1 ZINC000413174140 823721113 /nfs/dbraw/zinc/72/11/13/823721113.db2.gz PUSSPXQNWFISKE-CVEARBPZSA-N 1 2 378.476 4.118 20 0 GIADLO FC(F)c1nc2ccc(Cl)cc2c(N2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000413189527 823724296 /nfs/dbraw/zinc/72/42/96/823724296.db2.gz IYEMRNDFEJEHKP-ZDUSSCGKSA-N 1 2 376.794 4.274 20 0 GIADLO CCCCc1ccc(C(=O)CCc2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000574439323 823729934 /nfs/dbraw/zinc/72/99/34/823729934.db2.gz IMSQBZASDBKVBZ-NZQKXSOJSA-N 1 2 397.519 4.154 20 0 GIADLO CCCCc1ccc(C(=O)CCc2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000574439323 823729943 /nfs/dbraw/zinc/72/99/43/823729943.db2.gz IMSQBZASDBKVBZ-NZQKXSOJSA-N 1 2 397.519 4.154 20 0 GIADLO Fc1ccc(OC2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)cn1 ZINC000191680965 823731830 /nfs/dbraw/zinc/73/18/30/823731830.db2.gz RXMOLPVSJKAODX-UHFFFAOYSA-N 1 2 375.494 4.449 20 0 GIADLO C[C@@H](Nc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1)c1cc(Cl)ccc1Cl ZINC000413251644 823739228 /nfs/dbraw/zinc/73/92/28/823739228.db2.gz QRUBXFXCMYQERW-FRRDWIJNSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](Nc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1)c1cc(Cl)ccc1Cl ZINC000413251644 823739235 /nfs/dbraw/zinc/73/92/35/823739235.db2.gz QRUBXFXCMYQERW-FRRDWIJNSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@H](C)c3cc(Cl)ccc3Cl)[nH+]cn2)C1 ZINC000413251647 823739290 /nfs/dbraw/zinc/73/92/90/823739290.db2.gz QRUBXFXCMYQERW-UPJWGTAASA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](O)[C@H]1CCN(c2cc(N[C@H](C)c3cc(Cl)ccc3Cl)nc[nH+]2)C1 ZINC000413251647 823739293 /nfs/dbraw/zinc/73/92/93/823739293.db2.gz QRUBXFXCMYQERW-UPJWGTAASA-N 1 2 381.307 4.164 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000125932363 823748192 /nfs/dbraw/zinc/74/81/92/823748192.db2.gz BVGXUZLHNSTSNX-HXUWFJFHSA-N 1 2 382.483 4.088 20 0 GIADLO Brc1ccc2c(cc[nH+]c2N[C@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000413325433 823752911 /nfs/dbraw/zinc/75/29/11/823752911.db2.gz VQFAQRARYZPYEM-FUHWJXTLSA-N 1 2 384.277 4.146 20 0 GIADLO OC[C@]1(c2ccccc2)CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000461933159 823763451 /nfs/dbraw/zinc/76/34/51/823763451.db2.gz OLODNVLUHYNRFM-FQEVSTJZSA-N 1 2 383.289 4.138 20 0 GIADLO C[C@@H]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000126065262 823778349 /nfs/dbraw/zinc/77/83/49/823778349.db2.gz KIPVXGLOQOEORM-DYVFJYSZSA-N 1 2 386.908 4.383 20 0 GIADLO Cc1nc2ccccn2c1C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126065392 823778707 /nfs/dbraw/zinc/77/87/07/823778707.db2.gz HWWLWAFZLJNLJX-QHCPKHFHSA-N 1 2 381.483 4.409 20 0 GIADLO Clc1cccc(C2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1Cl ZINC000461979675 823780659 /nfs/dbraw/zinc/78/06/59/823780659.db2.gz AUFYSHZXAUPKQI-UHFFFAOYSA-N 1 2 393.318 4.004 20 0 GIADLO Clc1cccc(C2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1Cl ZINC000461979675 823780662 /nfs/dbraw/zinc/78/06/62/823780662.db2.gz AUFYSHZXAUPKQI-UHFFFAOYSA-N 1 2 393.318 4.004 20 0 GIADLO CCc1ccccc1NC(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126077621 823781445 /nfs/dbraw/zinc/78/14/45/823781445.db2.gz PSUATNQRPFZBTK-DEOSSOPVSA-N 1 2 398.510 4.453 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccccc2)n1 ZINC000191824009 823784574 /nfs/dbraw/zinc/78/45/74/823784574.db2.gz WBTICPZODFYLEJ-GOSISDBHSA-N 1 2 396.516 4.057 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccccc2)n1 ZINC000191824009 823784577 /nfs/dbraw/zinc/78/45/77/823784577.db2.gz WBTICPZODFYLEJ-GOSISDBHSA-N 1 2 396.516 4.057 20 0 GIADLO CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1(CC)CC ZINC000462011094 823793855 /nfs/dbraw/zinc/79/38/55/823793855.db2.gz TZONCWITWHAPNA-SFTDATJTSA-N 1 2 398.551 4.057 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000126125811 823794699 /nfs/dbraw/zinc/79/46/99/823794699.db2.gz MFMTXVOUXCYYKV-UHFFFAOYSA-N 1 2 378.394 4.098 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000126128632 823795152 /nfs/dbraw/zinc/79/51/52/823795152.db2.gz GDAPCTPSJJRWKC-UHFFFAOYSA-N 1 2 393.314 4.315 20 0 GIADLO CCCCN(CC)c1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000064335762 823795599 /nfs/dbraw/zinc/79/55/99/823795599.db2.gz WCXXGLFYYSBSMA-UHFFFAOYSA-N 1 2 380.536 4.238 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000191850561 823795827 /nfs/dbraw/zinc/79/58/27/823795827.db2.gz BLGNIWWULUHANN-UHFFFAOYSA-N 1 2 389.519 4.373 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000126154130 823801313 /nfs/dbraw/zinc/80/13/13/823801313.db2.gz URYVFEQQCHNZFE-RTBURBONSA-N 1 2 384.907 4.223 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000126154805 823801436 /nfs/dbraw/zinc/80/14/36/823801436.db2.gz URYVFEQQCHNZFE-OALUTQOASA-N 1 2 384.907 4.223 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000191910565 823810010 /nfs/dbraw/zinc/81/00/10/823810010.db2.gz YLWXDJMMTMRTOT-UHFFFAOYSA-N 1 2 381.480 4.408 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000064396196 823810526 /nfs/dbraw/zinc/81/05/26/823810526.db2.gz UKCWBFKINGHXEP-OALUTQOASA-N 1 2 396.288 4.055 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC(OCC2CCCCC2)CC1 ZINC000574727930 823811959 /nfs/dbraw/zinc/81/19/59/823811959.db2.gz HCAAGFOGEIZNQQ-UHFFFAOYSA-N 1 2 395.547 4.062 20 0 GIADLO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2cscc2C(F)(F)F)CC1 ZINC000574732791 823813506 /nfs/dbraw/zinc/81/35/06/823813506.db2.gz SHYGJPZGRWZDRA-UHFFFAOYSA-N 1 2 386.414 4.254 20 0 GIADLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cscc2C(F)(F)F)CC1 ZINC000574732791 823813512 /nfs/dbraw/zinc/81/35/12/823813512.db2.gz SHYGJPZGRWZDRA-UHFFFAOYSA-N 1 2 386.414 4.254 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)CSc1ccccc1 ZINC000126253180 823821802 /nfs/dbraw/zinc/82/18/02/823821802.db2.gz RUQMUUXRFGYNRP-GOSISDBHSA-N 1 2 384.545 4.194 20 0 GIADLO Cc1ccc(NC(=O)C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1F ZINC000165111090 823834594 /nfs/dbraw/zinc/83/45/94/823834594.db2.gz FEAKFKRKENBPGS-QFIPXVFZSA-N 1 2 391.446 4.042 20 0 GIADLO COc1ccc([C@@H]([NH2+]CC(=O)N[C@@H](C)C(C)C)c2ccccc2Cl)c(C)c1 ZINC000462169822 823851902 /nfs/dbraw/zinc/85/19/02/823851902.db2.gz IKLUZSXXAFNJSA-KSFYIVLOSA-N 1 2 388.939 4.497 20 0 GIADLO CC(C)CO[C@H](C)c1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192085471 823855171 /nfs/dbraw/zinc/85/51/71/823855171.db2.gz OWSNGAJCWBPRSF-XHBKTUGNSA-N 1 2 397.878 4.216 20 0 GIADLO C[C@@H]1CCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126412013 823860403 /nfs/dbraw/zinc/86/04/03/823860403.db2.gz CFWRTGOOHJWAJA-PBHICJAKSA-N 1 2 379.426 4.289 20 0 GIADLO O=c1cc(C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)nc2ccccn12 ZINC000574921598 823860796 /nfs/dbraw/zinc/86/07/96/823860796.db2.gz HBUFITWCKLXOAL-LBPRGKRZSA-N 1 2 380.300 4.230 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C[C@H](C)O)C(C)C)cs1)c1cccc(C)c1C ZINC000165731620 823861214 /nfs/dbraw/zinc/86/12/14/823861214.db2.gz CANOVPUDVQQQSO-HNNXBMFYSA-N 1 2 375.538 4.036 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C[C@H](C)O)C(C)C)cs1)c1cccc(C)c1C ZINC000165731620 823861219 /nfs/dbraw/zinc/86/12/19/823861219.db2.gz CANOVPUDVQQQSO-HNNXBMFYSA-N 1 2 375.538 4.036 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+](C[C@@H](C)O)C(C)C)cs1)c1cccc(Cl)c1 ZINC000165731207 823861456 /nfs/dbraw/zinc/86/14/56/823861456.db2.gz QYHHROPUUXRXHJ-CYBMUJFWSA-N 1 2 381.929 4.072 20 0 GIADLO CC(=O)N(c1nc(C[N@H+](C[C@@H](C)O)C(C)C)cs1)c1cccc(Cl)c1 ZINC000165731207 823861460 /nfs/dbraw/zinc/86/14/60/823861460.db2.gz QYHHROPUUXRXHJ-CYBMUJFWSA-N 1 2 381.929 4.072 20 0 GIADLO COC[C@H]1CCC[N@H+](Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)C1 ZINC000165851709 823864325 /nfs/dbraw/zinc/86/43/25/823864325.db2.gz YFUJXOKKXDBRFD-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO COC[C@H]1CCC[N@@H+](Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)C1 ZINC000165851709 823864327 /nfs/dbraw/zinc/86/43/27/823864327.db2.gz YFUJXOKKXDBRFD-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccc(F)c(F)c1 ZINC000462198298 823865791 /nfs/dbraw/zinc/86/57/91/823865791.db2.gz YLDHBKKUTMDELB-ZIAGYGMSSA-N 1 2 379.476 4.176 20 0 GIADLO CCCCc1nc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cs1 ZINC000165907422 823865849 /nfs/dbraw/zinc/86/58/49/823865849.db2.gz KFRMRTZDLFDVNF-UHFFFAOYSA-N 1 2 378.586 4.082 20 0 GIADLO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000462201905 823868015 /nfs/dbraw/zinc/86/80/15/823868015.db2.gz UVAHCRXOJZXMDC-JTQLQIEISA-N 1 2 380.395 4.147 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CCCc2c(F)cccc21 ZINC000574959009 823871877 /nfs/dbraw/zinc/87/18/77/823871877.db2.gz CDTGGAWYUXLNGU-FQEVSTJZSA-N 1 2 382.483 4.088 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@]3(CCOC3)C2)cs1)c1ccc(C)cc1C ZINC000166375301 823876706 /nfs/dbraw/zinc/87/67/06/823876706.db2.gz REGWHEHFRDUKMJ-NRFANRHFSA-N 1 2 385.533 4.057 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@]3(CCOC3)C2)cs1)c1ccc(C)cc1C ZINC000166375301 823876715 /nfs/dbraw/zinc/87/67/15/823876715.db2.gz REGWHEHFRDUKMJ-NRFANRHFSA-N 1 2 385.533 4.057 20 0 GIADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000574986343 823879691 /nfs/dbraw/zinc/87/96/91/823879691.db2.gz DPJSPIZOPZAYCM-IIAWOOMASA-N 1 2 394.544 4.467 20 0 GIADLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000574986343 823879694 /nfs/dbraw/zinc/87/96/94/823879694.db2.gz DPJSPIZOPZAYCM-IIAWOOMASA-N 1 2 394.544 4.467 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cs1 ZINC000166732475 823881892 /nfs/dbraw/zinc/88/18/92/823881892.db2.gz SOISQJUSWXZGDR-NQIIRXRSSA-N 1 2 399.560 4.391 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cs1 ZINC000166732475 823881897 /nfs/dbraw/zinc/88/18/97/823881897.db2.gz SOISQJUSWXZGDR-NQIIRXRSSA-N 1 2 399.560 4.391 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc(N2CCCC2)c(F)c1 ZINC000126513785 823888611 /nfs/dbraw/zinc/88/86/11/823888611.db2.gz BARDVVBIFYCZLG-UHFFFAOYSA-N 1 2 397.498 4.133 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccc(Oc2nccs2)c1 ZINC000126520375 823889564 /nfs/dbraw/zinc/88/95/64/823889564.db2.gz QXJLKSNRVYTFIE-UHFFFAOYSA-N 1 2 376.441 4.051 20 0 GIADLO COc1ccc(Nc2nn(C[N@@H+]3CCSC[C@@H](C)C3)c(=S)s2)cc1 ZINC000192177446 823893173 /nfs/dbraw/zinc/89/31/73/823893173.db2.gz HMVHDAUQKGPIKW-LBPRGKRZSA-N 1 2 382.580 4.069 20 0 GIADLO COc1ccc(Nc2nn(C[N@H+]3CCSC[C@@H](C)C3)c(=S)s2)cc1 ZINC000192177446 823893179 /nfs/dbraw/zinc/89/31/79/823893179.db2.gz HMVHDAUQKGPIKW-LBPRGKRZSA-N 1 2 382.580 4.069 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)CC1 ZINC000462244356 823893313 /nfs/dbraw/zinc/89/33/13/823893313.db2.gz LBVZWKOJKPQBNA-MRXNPFEDSA-N 1 2 393.516 4.116 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(N3CCCCC3)nc2)CC1 ZINC000462247316 823896320 /nfs/dbraw/zinc/89/63/20/823896320.db2.gz NGKMJYHHEHGXIH-QGZVFWFLSA-N 1 2 399.564 4.044 20 0 GIADLO Cc1c2ccccc2[nH+]c(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C(=O)[O-] ZINC000575049588 823899476 /nfs/dbraw/zinc/89/94/76/823899476.db2.gz HPKBCMHWHUHZOY-UHFFFAOYSA-N 1 2 390.487 4.158 20 0 GIADLO FC(F)(F)c1ccccc1N1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000168012980 823899818 /nfs/dbraw/zinc/89/98/18/823899818.db2.gz BDBLPQFSZKOLJT-UHFFFAOYSA-N 1 2 386.421 4.418 20 0 GIADLO OC1CCN(c2[nH+]cccc2NCc2ccc(Br)c(Cl)c2)CC1 ZINC000192204633 823901585 /nfs/dbraw/zinc/90/15/85/823901585.db2.gz FDXRKMHYEIAAJX-UHFFFAOYSA-N 1 2 396.716 4.071 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCc3cc(Br)ccc32)s1 ZINC000414077613 823903291 /nfs/dbraw/zinc/90/32/91/823903291.db2.gz QCLUYGISKXCZJD-ZANVPECISA-N 1 2 381.295 4.030 20 0 GIADLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(Br)c1 ZINC000169075364 823908398 /nfs/dbraw/zinc/90/83/98/823908398.db2.gz SIIRSVSUOKONAR-UHFFFAOYSA-N 1 2 388.309 4.073 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]C2(c3ccc(Br)cc3)CCC2)s1 ZINC000414097011 823908592 /nfs/dbraw/zinc/90/85/92/823908592.db2.gz MRPUDQRKMPEROB-NSHDSACASA-N 1 2 395.322 4.422 20 0 GIADLO CCCSc1nsc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1 ZINC000462276254 823910221 /nfs/dbraw/zinc/91/02/21/823910221.db2.gz XFPHRMVITRWJHV-LBPRGKRZSA-N 1 2 397.595 4.012 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000462284799 823912415 /nfs/dbraw/zinc/91/24/15/823912415.db2.gz CRCNPJDWFFLCDG-HNNXBMFYSA-N 1 2 385.533 4.372 20 0 GIADLO CCOc1ccccc1[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462295317 823914681 /nfs/dbraw/zinc/91/46/81/823914681.db2.gz JYUAIZAVSLKBOF-SJORKVTESA-N 1 2 387.549 4.296 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(Br)c2)s1 ZINC000414133300 823916895 /nfs/dbraw/zinc/91/68/95/823916895.db2.gz GNKULPDIBAJQII-RKDXNWHRSA-N 1 2 387.274 4.243 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000192251365 823916972 /nfs/dbraw/zinc/91/69/72/823916972.db2.gz GXLWHXOYHCUEMJ-UHFFFAOYSA-N 1 2 391.519 4.061 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000192259028 823920008 /nfs/dbraw/zinc/92/00/08/823920008.db2.gz WRMSRSYJAPIVRW-UHFFFAOYSA-N 1 2 382.430 4.086 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414157610 823920172 /nfs/dbraw/zinc/92/01/72/823920172.db2.gz YDJXTEWGBPIYIN-SJORKVTESA-N 1 2 379.529 4.208 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000192260455 823920391 /nfs/dbraw/zinc/92/03/91/823920391.db2.gz CDZAJAULDLKUMT-UHFFFAOYSA-N 1 2 390.434 4.081 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000192260065 823920592 /nfs/dbraw/zinc/92/05/92/823920592.db2.gz XKKQOVYPHWZDGD-UHFFFAOYSA-N 1 2 379.504 4.162 20 0 GIADLO C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1csc(Br)c1 ZINC000064994280 823922567 /nfs/dbraw/zinc/92/25/67/823922567.db2.gz CKUBVFSPZHJQFK-UHFFFAOYSA-N 1 2 393.350 4.134 20 0 GIADLO C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1csc(Br)c1 ZINC000064994280 823922571 /nfs/dbraw/zinc/92/25/71/823922571.db2.gz CKUBVFSPZHJQFK-UHFFFAOYSA-N 1 2 393.350 4.134 20 0 GIADLO CC(C)(C)OC1CC([NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000575156095 823925803 /nfs/dbraw/zinc/92/58/03/823925803.db2.gz DVZGLFFVUDKQBR-UHFFFAOYSA-N 1 2 385.335 4.097 20 0 GIADLO O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000126716242 823934178 /nfs/dbraw/zinc/93/41/78/823934178.db2.gz XDRRZWONFYWLCV-UHFFFAOYSA-N 1 2 378.303 4.238 20 0 GIADLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)c2C1 ZINC000462353427 823937163 /nfs/dbraw/zinc/93/71/63/823937163.db2.gz RFFMBIXYMSRKPI-GFCCVEGCSA-N 1 2 398.450 4.265 20 0 GIADLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)c2C1 ZINC000462353427 823937169 /nfs/dbraw/zinc/93/71/69/823937169.db2.gz RFFMBIXYMSRKPI-GFCCVEGCSA-N 1 2 398.450 4.265 20 0 GIADLO COC[C@H]([NH2+]Cc1cn2ccc(Br)cc2n1)c1cccc(Cl)c1 ZINC000575221082 823944115 /nfs/dbraw/zinc/94/41/15/823944115.db2.gz BMZKZBWPTDTDCA-INIZCTEOSA-N 1 2 394.700 4.228 20 0 GIADLO CCN(CC)c1ccc(C[NH2+][C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)cn1 ZINC000126781045 823949355 /nfs/dbraw/zinc/94/93/55/823949355.db2.gz KADUCXVZRGGWLG-OAHLLOKOSA-N 1 2 398.942 4.321 20 0 GIADLO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2CCCC[C@H]2F)c2ccc(F)cc2F)c1 ZINC000414283814 823951552 /nfs/dbraw/zinc/95/15/52/823951552.db2.gz JRMHZXNWHIPHFM-MISYRCLQSA-N 1 2 397.462 4.328 20 0 GIADLO COc1ccc2c(c1)C[N@@H+](CC(=O)Nc1cccc(-c3csc(C)n3)c1)CC2 ZINC000065163215 823955869 /nfs/dbraw/zinc/95/58/69/823955869.db2.gz LASHTMQTRFNBIC-UHFFFAOYSA-N 1 2 393.512 4.124 20 0 GIADLO COc1ccc2c(c1)C[N@H+](CC(=O)Nc1cccc(-c3csc(C)n3)c1)CC2 ZINC000065163215 823955874 /nfs/dbraw/zinc/95/58/74/823955874.db2.gz LASHTMQTRFNBIC-UHFFFAOYSA-N 1 2 393.512 4.124 20 0 GIADLO Cc1ccc(C[C@H]2CCC[N@H+](Cn3c(=S)nc4nc(C)c(C)c(C)n43)C2)cc1 ZINC000065189321 823958261 /nfs/dbraw/zinc/95/82/61/823958261.db2.gz NNCVUXWUEKZPAL-HXUWFJFHSA-N 1 2 395.576 4.406 20 0 GIADLO Cc1ccc(C[C@H]2CCC[N@@H+](Cn3c(=S)nc4nc(C)c(C)c(C)n43)C2)cc1 ZINC000065189321 823958265 /nfs/dbraw/zinc/95/82/65/823958265.db2.gz NNCVUXWUEKZPAL-HXUWFJFHSA-N 1 2 395.576 4.406 20 0 GIADLO COc1c(C)c[nH+]c(CSc2nnc(N3CCC(C)CC3)n2C2CC2)c1C ZINC000126825910 823960709 /nfs/dbraw/zinc/96/07/09/823960709.db2.gz RRCWTHVPYSHRKZ-UHFFFAOYSA-N 1 2 387.553 4.162 20 0 GIADLO Cc1cc([C@H](C)NC2CC[NH+](Cc3cccc(Br)c3)CC2)no1 ZINC000414345091 823961953 /nfs/dbraw/zinc/96/19/53/823961953.db2.gz DCYXWMOISBSJOL-AWEZNQCLSA-N 1 2 378.314 4.061 20 0 GIADLO CCc1ncc(C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@H](C)CC)cn1 ZINC000414366833 823966724 /nfs/dbraw/zinc/96/67/24/823966724.db2.gz CIBCYHBMBHCRJR-CQSZACIVSA-N 1 2 394.441 4.297 20 0 GIADLO CCc1ncc(C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@H](C)CC)cn1 ZINC000414366833 823966731 /nfs/dbraw/zinc/96/67/31/823966731.db2.gz CIBCYHBMBHCRJR-CQSZACIVSA-N 1 2 394.441 4.297 20 0 GIADLO C[C@@H](CC(=O)NCC1(c2ccc(Br)cc2)CCCC1)n1cc[nH+]c1 ZINC000575410287 823967819 /nfs/dbraw/zinc/96/78/19/823967819.db2.gz OWPBUXJFSYRWKM-HNNXBMFYSA-N 1 2 390.325 4.225 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccccc1NCc1cccnc1 ZINC000192388818 823967923 /nfs/dbraw/zinc/96/79/23/823967923.db2.gz DTBFKMXPMIKVTR-UHFFFAOYSA-N 1 2 391.519 4.005 20 0 GIADLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000126889744 823974853 /nfs/dbraw/zinc/97/48/53/823974853.db2.gz LAWWWLURHIHYAO-LEWJYISDSA-N 1 2 393.487 4.033 20 0 GIADLO COc1ccc(-c2nc(C[N@@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)cs2)cc1OC ZINC000575612169 823979449 /nfs/dbraw/zinc/97/94/49/823979449.db2.gz NPQFQODBUAFVQB-IEBWSBKVSA-N 1 2 388.533 4.217 20 0 GIADLO COc1ccc(-c2nc(C[N@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)cs2)cc1OC ZINC000575612169 823979460 /nfs/dbraw/zinc/97/94/60/823979460.db2.gz NPQFQODBUAFVQB-IEBWSBKVSA-N 1 2 388.533 4.217 20 0 GIADLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(Oc2ccccc2)cn1 ZINC000575754828 823986574 /nfs/dbraw/zinc/98/65/74/823986574.db2.gz BDNYDPCRVITBDC-QGZVFWFLSA-N 1 2 376.460 4.279 20 0 GIADLO Cc1nc(C(=O)Nc2c(C)cc(C)[nH+]c2C)nn1-c1c(Cl)cccc1Cl ZINC000170840973 823986915 /nfs/dbraw/zinc/98/69/15/823986915.db2.gz UCNFKKNZALNUNC-UHFFFAOYSA-N 1 2 390.274 4.455 20 0 GIADLO Cc1nc(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)sc1Br ZINC000414453103 823988100 /nfs/dbraw/zinc/98/81/00/823988100.db2.gz BYLPNKNZUZUTEI-UHFFFAOYSA-N 1 2 395.301 4.137 20 0 GIADLO O=C(Nc1cccc(OCCF)c1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000126970170 823991811 /nfs/dbraw/zinc/99/18/11/823991811.db2.gz SAHJPAQILRYPSR-NHCUHLMSSA-N 1 2 394.450 4.282 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)cs1 ZINC000126991703 823995822 /nfs/dbraw/zinc/99/58/22/823995822.db2.gz YBJPDOIWDQRPPX-IBGZPJMESA-N 1 2 386.565 4.447 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)cs1 ZINC000126991703 823995827 /nfs/dbraw/zinc/99/58/27/823995827.db2.gz YBJPDOIWDQRPPX-IBGZPJMESA-N 1 2 386.565 4.447 20 0 GIADLO Cc1ccc(NC(=O)C[C@@H](C)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1Cl ZINC000575837553 824008763 /nfs/dbraw/zinc/00/87/63/824008763.db2.gz DXXANVZJSOOEKJ-OAHLLOKOSA-N 1 2 383.883 4.117 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccn(-c2ccccc2)n1 ZINC000192494627 824010752 /nfs/dbraw/zinc/01/07/52/824010752.db2.gz MPGNOVAASICLEC-UHFFFAOYSA-N 1 2 383.455 4.324 20 0 GIADLO O=C(C[N@@H+]1CCCc2occc2C1)Nc1cccc(CSc2ccccn2)c1 ZINC000575901649 824023898 /nfs/dbraw/zinc/02/38/98/824023898.db2.gz UAGCPKFYPBKXHD-UHFFFAOYSA-N 1 2 393.512 4.354 20 0 GIADLO O=C(C[N@H+]1CCCc2occc2C1)Nc1cccc(CSc2ccccn2)c1 ZINC000575901649 824023903 /nfs/dbraw/zinc/02/39/03/824023903.db2.gz UAGCPKFYPBKXHD-UHFFFAOYSA-N 1 2 393.512 4.354 20 0 GIADLO CN(Cc1cc(Br)ccc1Cl)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000575911635 824028060 /nfs/dbraw/zinc/02/80/60/824028060.db2.gz ORJJYHOACIGHOT-UHFFFAOYSA-N 1 2 393.672 4.414 20 0 GIADLO O[C@H](C[N@H+](CCc1ccc(Cl)cc1)Cc1nc2ccccc2o1)C(F)(F)F ZINC000576024089 824051696 /nfs/dbraw/zinc/05/16/96/824051696.db2.gz MECNCQOHGBGXRW-QGZVFWFLSA-N 1 2 398.812 4.449 20 0 GIADLO O[C@H](C[N@@H+](CCc1ccc(Cl)cc1)Cc1nc2ccccc2o1)C(F)(F)F ZINC000576024089 824051702 /nfs/dbraw/zinc/05/17/02/824051702.db2.gz MECNCQOHGBGXRW-QGZVFWFLSA-N 1 2 398.812 4.449 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccc(Oc2cccnc2)cc1 ZINC000576024771 824052373 /nfs/dbraw/zinc/05/23/73/824052373.db2.gz JDAMMQYLQXTMAD-UHFFFAOYSA-N 1 2 399.454 4.440 20 0 GIADLO O=S(=O)(CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)c1ccccc1 ZINC000071954664 222200051 /nfs/dbraw/zinc/20/00/51/222200051.db2.gz VJFHJNFDGIMDCB-UHFFFAOYSA-N 1 2 384.328 4.432 20 0 GIADLO O=S(=O)(CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)c1ccccc1 ZINC000071954664 222200053 /nfs/dbraw/zinc/20/00/53/222200053.db2.gz VJFHJNFDGIMDCB-UHFFFAOYSA-N 1 2 384.328 4.432 20 0 GIADLO COc1c(C)cc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1C ZINC000583621768 570802488 /nfs/dbraw/zinc/80/24/88/570802488.db2.gz KXJLAXCFKCCBJS-LJQANCHMSA-N 1 2 385.508 4.316 20 0 GIADLO COc1c(C)cc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1C ZINC000583621768 570802491 /nfs/dbraw/zinc/80/24/91/570802491.db2.gz KXJLAXCFKCCBJS-LJQANCHMSA-N 1 2 385.508 4.316 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@H]21 ZINC001164660597 719344601 /nfs/dbraw/zinc/34/46/01/719344601.db2.gz IXYFUUYKDMHEDC-GGPKGHCWSA-N 1 2 378.944 4.409 20 0 GIADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@H]21 ZINC001164660597 719344603 /nfs/dbraw/zinc/34/46/03/719344603.db2.gz IXYFUUYKDMHEDC-GGPKGHCWSA-N 1 2 378.944 4.409 20 0 GIADLO CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1c[nH+]cn1C ZINC000570490118 823045418 /nfs/dbraw/zinc/04/54/18/823045418.db2.gz AKIQCFAPROGWAK-UHFFFAOYSA-N 1 2 393.274 4.264 20 0 GIADLO C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000570560684 823055026 /nfs/dbraw/zinc/05/50/26/823055026.db2.gz HTQGCVRGUUNNRH-OAHLLOKOSA-N 1 2 396.441 4.039 20 0 GIADLO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000175870016 823059983 /nfs/dbraw/zinc/05/99/83/823059983.db2.gz ZCQOQLUQROMCLU-UHFFFAOYSA-N 1 2 389.540 4.165 20 0 GIADLO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000120788721 823064597 /nfs/dbraw/zinc/06/45/97/823064597.db2.gz SHGYVIDKBGBNIN-UHFFFAOYSA-N 1 2 385.265 4.207 20 0 GIADLO CCOc1ccc(-c2nc(C)c(C(=O)N3CCC(n4cc[nH+]c4)CC3)s2)cc1 ZINC000120828940 823072769 /nfs/dbraw/zinc/07/27/69/823072769.db2.gz MHCMDZATALVKOR-UHFFFAOYSA-N 1 2 396.516 4.191 20 0 GIADLO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000120830472 823073112 /nfs/dbraw/zinc/07/31/12/823073112.db2.gz RNMMIMQHAQLJQY-WMLDXEAASA-N 1 2 388.537 4.200 20 0 GIADLO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000120830472 823073119 /nfs/dbraw/zinc/07/31/19/823073119.db2.gz RNMMIMQHAQLJQY-WMLDXEAASA-N 1 2 388.537 4.200 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(OCc3ccccc3F)nc2)o1 ZINC000187487428 823073473 /nfs/dbraw/zinc/07/34/73/823073473.db2.gz AYQKCQOYDVYYHF-FQEVSTJZSA-N 1 2 384.451 4.432 20 0 GIADLO CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458683180 823073900 /nfs/dbraw/zinc/07/39/00/823073900.db2.gz JOAJDFUPDICQAS-CQSZACIVSA-N 1 2 388.821 4.302 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC000570706757 823074232 /nfs/dbraw/zinc/07/42/32/823074232.db2.gz TWUNHTGQWQRUJO-UHFFFAOYSA-N 1 2 393.918 4.409 20 0 GIADLO Cc1cc(Br)cc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000187491732 823074464 /nfs/dbraw/zinc/07/44/64/823074464.db2.gz GDIMUOAEGMKFFG-UHFFFAOYSA-N 1 2 399.292 4.324 20 0 GIADLO C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1c(F)cccc1Cl ZINC000175953488 823081147 /nfs/dbraw/zinc/08/11/47/823081147.db2.gz ACGKNTCHLLCSBS-AWEZNQCLSA-N 1 2 386.858 4.284 20 0 GIADLO CC(=O)Nc1cccc(C[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1 ZINC000056153748 823090440 /nfs/dbraw/zinc/09/04/40/823090440.db2.gz RNCBXLGYCCAIKV-QHCPKHFHSA-N 1 2 387.483 4.423 20 0 GIADLO O=C(c1cccc(OCc2cccs2)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120951073 823091656 /nfs/dbraw/zinc/09/16/56/823091656.db2.gz CHOFQRINBNMZQW-LJQANCHMSA-N 1 2 380.469 4.016 20 0 GIADLO O=C(Nc1ccn(-c2ccccc2)n1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000120953335 823092062 /nfs/dbraw/zinc/09/20/62/823092062.db2.gz XRCAAOIFZORPKC-RBBKRZOGSA-N 1 2 398.470 4.119 20 0 GIADLO CCCN(Cc1ccccc1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000176005372 823093683 /nfs/dbraw/zinc/09/36/83/823093683.db2.gz UKUCWCKMLKMPEE-UHFFFAOYSA-N 1 2 394.563 4.343 20 0 GIADLO CC[C@H](CN(CC)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccccc1 ZINC000187613051 823097937 /nfs/dbraw/zinc/09/79/37/823097937.db2.gz SPRWXCULNMELAB-LJQANCHMSA-N 1 2 396.535 4.274 20 0 GIADLO O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000120974735 823095856 /nfs/dbraw/zinc/09/58/56/823095856.db2.gz NPJGTZLIYPJKRG-CQSZACIVSA-N 1 2 386.377 4.165 20 0 GIADLO O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)[C@H]1CCn2cc[nH+]c2C1 ZINC000120974899 823095873 /nfs/dbraw/zinc/09/58/73/823095873.db2.gz NPJGTZLIYPJKRG-AWEZNQCLSA-N 1 2 386.377 4.165 20 0 GIADLO c1sc(COc2ccccc2)nc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000120974253 823095910 /nfs/dbraw/zinc/09/59/10/823095910.db2.gz FEHFRPJEKWZKSZ-UHFFFAOYSA-N 1 2 395.528 4.166 20 0 GIADLO CC[C@@H](CN(CC)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccccc1 ZINC000187613037 823098105 /nfs/dbraw/zinc/09/81/05/823098105.db2.gz SPRWXCULNMELAB-IBGZPJMESA-N 1 2 396.535 4.274 20 0 GIADLO CC[C@@]1(CO)CCC[N@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)C1 ZINC000187606603 823097008 /nfs/dbraw/zinc/09/70/08/823097008.db2.gz RWLUZALTLJVOFM-OAQYLSRUSA-N 1 2 387.549 4.121 20 0 GIADLO CC[C@@]1(CO)CCC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)C1 ZINC000187606603 823097014 /nfs/dbraw/zinc/09/70/14/823097014.db2.gz RWLUZALTLJVOFM-OAQYLSRUSA-N 1 2 387.549 4.121 20 0 GIADLO O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000458855301 823098285 /nfs/dbraw/zinc/09/82/85/823098285.db2.gz ZBHZTYKSACAOCL-CVEARBPZSA-N 1 2 380.414 4.035 20 0 GIADLO Cn1cccc1[C@H]1CCCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458883874 823101338 /nfs/dbraw/zinc/10/13/38/823101338.db2.gz NIHLMRZSFISCNW-HXUWFJFHSA-N 1 2 397.910 4.301 20 0 GIADLO COc1ccccc1CN(C)C(=O)C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121008228 823102010 /nfs/dbraw/zinc/10/20/10/823102010.db2.gz TYTBARQZPXUZME-INIZCTEOSA-N 1 2 389.565 4.235 20 0 GIADLO COc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121008228 823102014 /nfs/dbraw/zinc/10/20/14/823102014.db2.gz TYTBARQZPXUZME-INIZCTEOSA-N 1 2 389.565 4.235 20 0 GIADLO Cn1nc(-c2ccccc2)c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1Cl ZINC000187656013 823106636 /nfs/dbraw/zinc/10/66/36/823106636.db2.gz MBKZCUXBCREXGB-UHFFFAOYSA-N 1 2 385.817 4.084 20 0 GIADLO O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000458976928 823112684 /nfs/dbraw/zinc/11/26/84/823112684.db2.gz BZBUZWWFLJSWLJ-KRWDZBQOSA-N 1 2 376.863 4.243 20 0 GIADLO C[N@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccco2)n(C2CCCCC2)c1=S ZINC000176097480 823119356 /nfs/dbraw/zinc/11/93/56/823119356.db2.gz ZLGYNXLSEOFWPV-HNNXBMFYSA-N 1 2 376.526 4.105 20 0 GIADLO C[N@@H+](C[C@@H]1CCOC1)Cn1nc(-c2ccco2)n(C2CCCCC2)c1=S ZINC000176097480 823119361 /nfs/dbraw/zinc/11/93/61/823119361.db2.gz ZLGYNXLSEOFWPV-HNNXBMFYSA-N 1 2 376.526 4.105 20 0 GIADLO CN(c1ccccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCC1 ZINC000121097288 823117803 /nfs/dbraw/zinc/11/78/03/823117803.db2.gz JDOYXFCLJQTWMU-LJQANCHMSA-N 1 2 380.492 4.146 20 0 GIADLO CC[C@@H](CSc1ccccc1)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121106746 823119960 /nfs/dbraw/zinc/11/99/60/823119960.db2.gz FPFWUGXYFFREJG-SFHVURJKSA-N 1 2 384.549 4.052 20 0 GIADLO CCSc1nccnc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000571022977 823121697 /nfs/dbraw/zinc/12/16/97/823121697.db2.gz MOYRUIUZHDOYTQ-UHFFFAOYSA-N 1 2 379.489 4.041 20 0 GIADLO CC[C@@H]([NH2+][C@@H](c1nccn1C)c1cc(OC)cc(OC)c1)c1cccc(F)c1 ZINC000187739027 823122999 /nfs/dbraw/zinc/12/29/99/823122999.db2.gz PSNQILXEQGNTQQ-NHCUHLMSSA-N 1 2 383.467 4.407 20 0 GIADLO O=C(CSCCCc1ccccc1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000121138569 823125125 /nfs/dbraw/zinc/12/51/25/823125125.db2.gz IJWQWXSPNZIMAZ-UHFFFAOYSA-N 1 2 375.563 4.043 20 0 GIADLO Cc1cn2c(nc(C)c2-c2noc([C@H](c3ccc(Cl)cc3)[NH+](C)C)n2)s1 ZINC000571061383 823126582 /nfs/dbraw/zinc/12/65/82/823126582.db2.gz XOQARDGRKSTCES-HNNXBMFYSA-N 1 2 387.896 4.367 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000571084195 823129444 /nfs/dbraw/zinc/12/94/44/823129444.db2.gz JUIWRECLRKMXKV-UZLBHIALSA-N 1 2 377.448 4.185 20 0 GIADLO CCc1c(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cnn1CCC(C)C ZINC000571084968 823129790 /nfs/dbraw/zinc/12/97/90/823129790.db2.gz FKXKQSCQIHMBGI-UHFFFAOYSA-N 1 2 378.480 4.089 20 0 GIADLO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000121184330 823134093 /nfs/dbraw/zinc/13/40/93/823134093.db2.gz ZOOAMNUAZZLLFO-GFCCVEGCSA-N 1 2 394.302 4.049 20 0 GIADLO COc1ccc([C@H](C)[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1O ZINC000571129474 823137532 /nfs/dbraw/zinc/13/75/32/823137532.db2.gz RTVKIJXIOKVEHE-KSFYIVLOSA-N 1 2 376.456 4.431 20 0 GIADLO CO[C@H](C)c1noc(C[NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)n1 ZINC000187836781 823143300 /nfs/dbraw/zinc/14/33/00/823143300.db2.gz UYYKZLHQDMYFOU-CYBMUJFWSA-N 1 2 399.413 4.087 20 0 GIADLO Brc1ccccc1-n1cc(C[NH2+][C@@H]2CCCOc3ccccc32)nn1 ZINC000571188057 823145892 /nfs/dbraw/zinc/14/58/92/823145892.db2.gz OMIVQOKDLJCKML-QGZVFWFLSA-N 1 2 399.292 4.033 20 0 GIADLO COCc1noc([C@@H](C)[NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)n1 ZINC000187841194 823144200 /nfs/dbraw/zinc/14/42/00/823144200.db2.gz HWSSCORKUQVEMT-CYBMUJFWSA-N 1 2 399.413 4.087 20 0 GIADLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121262388 823150329 /nfs/dbraw/zinc/15/03/29/823150329.db2.gz QEKFGSGFKXOEEJ-INIZCTEOSA-N 1 2 397.548 4.364 20 0 GIADLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121262388 823150333 /nfs/dbraw/zinc/15/03/33/823150333.db2.gz QEKFGSGFKXOEEJ-INIZCTEOSA-N 1 2 397.548 4.364 20 0 GIADLO Cc1nc(C(F)(F)F)ccc1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000571248327 823155357 /nfs/dbraw/zinc/15/53/57/823155357.db2.gz PCUHYNDBTZCWIF-UHFFFAOYSA-N 1 2 394.784 4.178 20 0 GIADLO Cn1c[nH+]cc1CCNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000121287937 823155843 /nfs/dbraw/zinc/15/58/43/823155843.db2.gz HAEPXRPTTKMBBV-UHFFFAOYSA-N 1 2 391.368 4.218 20 0 GIADLO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000571347372 823168737 /nfs/dbraw/zinc/16/87/37/823168737.db2.gz SWARDSWKJZJPNU-JTQLQIEISA-N 1 2 380.204 4.010 20 0 GIADLO COC(=O)c1ccc(Br)cc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000571347372 823168739 /nfs/dbraw/zinc/16/87/39/823168739.db2.gz SWARDSWKJZJPNU-JTQLQIEISA-N 1 2 380.204 4.010 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@@H+]3CC[C@@](C)(c4ccc(C)cc4)C3)nc2c1 ZINC000571362260 823171291 /nfs/dbraw/zinc/17/12/91/823171291.db2.gz QQJJGRKULAYJIK-JOCHJYFZSA-N 1 2 398.528 4.093 20 0 GIADLO CCS(=O)(=O)c1ccc2oc(C[N@H+]3CC[C@@](C)(c4ccc(C)cc4)C3)nc2c1 ZINC000571362260 823171293 /nfs/dbraw/zinc/17/12/93/823171293.db2.gz QQJJGRKULAYJIK-JOCHJYFZSA-N 1 2 398.528 4.093 20 0 GIADLO Oc1cccc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)c1Br ZINC000459378258 823177305 /nfs/dbraw/zinc/17/73/05/823177305.db2.gz QHGADZXUTPJMDZ-UHFFFAOYSA-N 1 2 377.282 4.161 20 0 GIADLO COC(=O)c1cc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)c(C)o1 ZINC000571380835 823175212 /nfs/dbraw/zinc/17/52/12/823175212.db2.gz ASKKDQUMVVUCHS-SGTLLEGYSA-N 1 2 397.393 4.355 20 0 GIADLO COC(=O)c1cc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)c(C)o1 ZINC000571380835 823175213 /nfs/dbraw/zinc/17/52/13/823175213.db2.gz ASKKDQUMVVUCHS-SGTLLEGYSA-N 1 2 397.393 4.355 20 0 GIADLO COc1cccc2c(NCc3cccc(C[NH+]4CCCC4)c3)c(C(=O)[O-])c[nH+]c12 ZINC000571407501 823178324 /nfs/dbraw/zinc/17/83/24/823178324.db2.gz FWWPFDTYLOYUNC-UHFFFAOYSA-N 1 2 391.471 4.150 20 0 GIADLO O=c1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)nc(-c2ccccc2)[nH]1 ZINC000459385983 823179542 /nfs/dbraw/zinc/17/95/42/823179542.db2.gz ZVHZTSKTXKLTLP-UHFFFAOYSA-N 1 2 391.315 4.166 20 0 GIADLO O=c1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)nc(-c2ccccc2)[nH]1 ZINC000459385983 823179544 /nfs/dbraw/zinc/17/95/44/823179544.db2.gz ZVHZTSKTXKLTLP-UHFFFAOYSA-N 1 2 391.315 4.166 20 0 GIADLO CN(Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)Cc1cn2c([nH+]1)CCCC2 ZINC000571448129 823183916 /nfs/dbraw/zinc/18/39/16/823183916.db2.gz SOUAQNYZSLGNLE-UHFFFAOYSA-N 1 2 389.425 4.056 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000176339191 823186441 /nfs/dbraw/zinc/18/64/41/823186441.db2.gz AHUGTLUHHLWTDL-UHFFFAOYSA-N 1 2 377.341 4.019 20 0 GIADLO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2O1 ZINC000188104370 823186975 /nfs/dbraw/zinc/18/69/75/823186975.db2.gz IKWVXSYNXQGVEV-DOTOQJQBSA-N 1 2 384.480 4.286 20 0 GIADLO O=C(C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2)Nc1cccc(Cl)c1Cl ZINC000571485996 823190220 /nfs/dbraw/zinc/19/02/20/823190220.db2.gz XPANPJIHCGKAKZ-FQEVSTJZSA-N 1 2 391.298 4.402 20 0 GIADLO O=C(C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2)Nc1cccc(Cl)c1Cl ZINC000571485996 823190222 /nfs/dbraw/zinc/19/02/22/823190222.db2.gz XPANPJIHCGKAKZ-FQEVSTJZSA-N 1 2 391.298 4.402 20 0 GIADLO O[C@@H]([C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2)C1)C(F)(F)F ZINC000459431657 823190887 /nfs/dbraw/zinc/19/08/87/823190887.db2.gz SEEDDPYWLDGTEJ-MFKMUULPSA-N 1 2 386.639 4.238 20 0 GIADLO O[C@@H]([C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1)C(F)(F)F ZINC000459431657 823190888 /nfs/dbraw/zinc/19/08/88/823190888.db2.gz SEEDDPYWLDGTEJ-MFKMUULPSA-N 1 2 386.639 4.238 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[C@@H]2c2ccccn2)C[C@@H](C)O1 ZINC000056661892 823192038 /nfs/dbraw/zinc/19/20/38/823192038.db2.gz PEIFBRCTOIGXPD-JBYIUTFZSA-N 1 2 394.519 4.060 20 0 GIADLO C[C@@H](CNC(=O)CCN1c2ccccc2Sc2ccccc21)Cn1cc[nH+]c1 ZINC000176398831 823199429 /nfs/dbraw/zinc/19/94/29/823199429.db2.gz ZCWUDOCFPJFCSJ-KRWDZBQOSA-N 1 2 392.528 4.328 20 0 GIADLO Cn1c[nH+]cc1CCNC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000121597526 823213439 /nfs/dbraw/zinc/21/34/39/823213439.db2.gz WRMLXVXJQIAOEH-UHFFFAOYSA-N 1 2 390.270 4.492 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)o1 ZINC000459534407 823213875 /nfs/dbraw/zinc/21/38/75/823213875.db2.gz QCNYBAKTIJUULH-QHCPKHFHSA-N 1 2 391.515 4.352 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1(Cc2ccccc2F)CC1 ZINC000188324547 823219628 /nfs/dbraw/zinc/21/96/28/823219628.db2.gz NURPJQMHFTZOBI-UHFFFAOYSA-N 1 2 381.495 4.240 20 0 GIADLO C[C@H](Cc1ccc(Br)cc1)Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000188345391 823223143 /nfs/dbraw/zinc/22/31/43/823223143.db2.gz UTSODPULCIZLRU-OAHLLOKOSA-N 1 2 389.337 4.453 20 0 GIADLO C[C@H](Cc1ccc(Br)cc1)[NH2+]c1ccc(N2CCC(O)CC2)cc1 ZINC000188345391 823223147 /nfs/dbraw/zinc/22/31/47/823223147.db2.gz UTSODPULCIZLRU-OAHLLOKOSA-N 1 2 389.337 4.453 20 0 GIADLO CC(C)c1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)nn1C(C)(C)C ZINC000409453228 823222380 /nfs/dbraw/zinc/22/23/80/823222380.db2.gz NPVKJWZVXHSIRC-UHFFFAOYSA-N 1 2 383.471 4.016 20 0 GIADLO C[C@@H](Cc1ccc(Br)cc1)Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000188345367 823222773 /nfs/dbraw/zinc/22/27/73/823222773.db2.gz UTSODPULCIZLRU-HNNXBMFYSA-N 1 2 389.337 4.453 20 0 GIADLO C[C@@H](Cc1ccc(Br)cc1)[NH2+]c1ccc(N2CCC(O)CC2)cc1 ZINC000188345367 823222776 /nfs/dbraw/zinc/22/27/76/823222776.db2.gz UTSODPULCIZLRU-HNNXBMFYSA-N 1 2 389.337 4.453 20 0 GIADLO CCOc1cc(C[NH2+][C@@H]2COc3cccc(Cl)c32)cc(Br)c1O ZINC000459574274 823223459 /nfs/dbraw/zinc/22/34/59/823223459.db2.gz XGUBJDOMOCNFOS-CYBMUJFWSA-N 1 2 398.684 4.430 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)Cc3csc(-c4ccccc4F)n3)[nH+]c12 ZINC000176509355 823224819 /nfs/dbraw/zinc/22/48/19/823224819.db2.gz HDUKFICITAWMEM-AREMUKBSSA-N 1 2 385.489 4.354 20 0 GIADLO Cn1c2ccccc2c(Cl)c1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000056872615 823226614 /nfs/dbraw/zinc/22/66/14/823226614.db2.gz RHWHHBDYZBNBIA-UHFFFAOYSA-N 1 2 378.863 4.007 20 0 GIADLO O=C(c1cc(Cl)cc2cccnc21)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000409474424 823229067 /nfs/dbraw/zinc/22/90/67/823229067.db2.gz AGOWCYHMHWEZFQ-YVMONPNESA-N 1 2 391.902 4.359 20 0 GIADLO O=C(NCc1ccnc(Oc2ccccc2)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895241 823229358 /nfs/dbraw/zinc/22/93/58/823229358.db2.gz YXPYGNIRDNLICS-UHFFFAOYSA-N 1 2 399.454 4.059 20 0 GIADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000121684658 823230275 /nfs/dbraw/zinc/23/02/75/823230275.db2.gz CSBARRBVTAMZGK-GFCCVEGCSA-N 1 2 384.377 4.065 20 0 GIADLO COc1ccccc1-c1nnc(C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000121692755 823231422 /nfs/dbraw/zinc/23/14/22/823231422.db2.gz LVVRZJXBQPLAPM-YWZLYKJASA-N 1 2 381.501 4.424 20 0 GIADLO COc1ccccc1-c1nnc(C[N@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000121692755 823231426 /nfs/dbraw/zinc/23/14/26/823231426.db2.gz LVVRZJXBQPLAPM-YWZLYKJASA-N 1 2 381.501 4.424 20 0 GIADLO Cc1cccn2cc(C[S@](=O)Cc3ncc(-c4ccc(Cl)cc4)o3)[nH+]c12 ZINC000176535738 823231577 /nfs/dbraw/zinc/23/15/77/823231577.db2.gz YNPAPLDPHFDLGB-SANMLTNESA-N 1 2 385.876 4.400 20 0 GIADLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000056931979 823232308 /nfs/dbraw/zinc/23/23/08/823232308.db2.gz AWINXZSICZXUEH-INIZCTEOSA-N 1 2 382.439 4.265 20 0 GIADLO O=C(c1cccc(-c2cscn2)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000571769818 823232421 /nfs/dbraw/zinc/23/24/21/823232421.db2.gz BHQAPEGBMZABHJ-GOSISDBHSA-N 1 2 392.528 4.363 20 0 GIADLO COc1ccc(-c2noc(CSCCc3[nH+]cc(C)cc3C)n2)c(OC)c1 ZINC000571800671 823236292 /nfs/dbraw/zinc/23/62/92/823236292.db2.gz IRHZIJOTGJBBTH-UHFFFAOYSA-N 1 2 385.489 4.242 20 0 GIADLO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]3c3nc(C)no3)o2)cc1 ZINC000571805900 823237057 /nfs/dbraw/zinc/23/70/57/823237057.db2.gz JNULQJWHLCNFBY-SFHVURJKSA-N 1 2 381.432 4.152 20 0 GIADLO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3c3nc(C)no3)o2)cc1 ZINC000571805900 823237059 /nfs/dbraw/zinc/23/70/59/823237059.db2.gz JNULQJWHLCNFBY-SFHVURJKSA-N 1 2 381.432 4.152 20 0 GIADLO Clc1cc(Br)ccc1[C@@H]([NH2+]Cc1nnc2n1CCCC2)C1CC1 ZINC000188460042 823244019 /nfs/dbraw/zinc/24/40/19/823244019.db2.gz UJIUDHAGYVBKKF-KRWDZBQOSA-N 1 2 395.732 4.271 20 0 GIADLO CN(C)[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000188480182 823247523 /nfs/dbraw/zinc/24/75/23/823247523.db2.gz JPQGEZMVDMDEGS-RTBURBONSA-N 1 2 388.437 4.410 20 0 GIADLO C[C@H]1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000188485818 823248803 /nfs/dbraw/zinc/24/88/03/823248803.db2.gz OXCMYHQMGJYJSU-WMLDXEAASA-N 1 2 377.410 4.043 20 0 GIADLO O=C(CCCOc1ccc(F)cc1F)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000571891173 823250423 /nfs/dbraw/zinc/25/04/23/823250423.db2.gz QBOYLECGMBHABG-QAQDUYKDSA-N 1 2 389.446 4.058 20 0 GIADLO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(Sc3ccccn3)o2)[C@@H]1O ZINC000459706368 823254063 /nfs/dbraw/zinc/25/40/63/823254063.db2.gz QKKAUUIRJFXCFS-AEFFLSMTSA-N 1 2 388.514 4.250 20 0 GIADLO c1csc(Cc2nnc(SCCn3cc[nH+]c3)n2CCc2ccccc2)c1 ZINC000121806119 823255101 /nfs/dbraw/zinc/25/51/01/823255101.db2.gz GXBPVYOCYHFBLM-UHFFFAOYSA-N 1 2 395.557 4.162 20 0 GIADLO CCC(CC)n1ncc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1C ZINC000571929064 823255628 /nfs/dbraw/zinc/25/56/28/823255628.db2.gz IXCCJWBFXNCNIG-UHFFFAOYSA-N 1 2 385.899 4.322 20 0 GIADLO Cc1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(OC(C)(C)C)c1 ZINC000121860616 823264812 /nfs/dbraw/zinc/26/48/12/823264812.db2.gz LPOVVRDAGZPCOK-UHFFFAOYSA-N 1 2 396.535 4.036 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000188580102 823265585 /nfs/dbraw/zinc/26/55/85/823265585.db2.gz SRTIKORJHHBRAQ-UHFFFAOYSA-N 1 2 393.796 4.355 20 0 GIADLO CC(C)(CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000057281656 823275557 /nfs/dbraw/zinc/27/55/57/823275557.db2.gz YBEOGXKJBMQLLV-UHFFFAOYSA-N 1 2 396.922 4.362 20 0 GIADLO CC(C)(CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(F)(F)F ZINC000572137682 823288610 /nfs/dbraw/zinc/28/86/10/823288610.db2.gz PVYBKRASTIDSFR-UHFFFAOYSA-N 1 2 378.398 4.312 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2CCc3[nH]c4ccccc4c3C2)s1 ZINC000122014147 823293217 /nfs/dbraw/zinc/29/32/17/823293217.db2.gz LGZKYTZKMAEEAH-OAHLLOKOSA-N 1 2 396.560 4.073 20 0 GIADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2CCc3[nH]c4ccccc4c3C2)s1 ZINC000122014147 823293222 /nfs/dbraw/zinc/29/32/22/823293222.db2.gz LGZKYTZKMAEEAH-OAHLLOKOSA-N 1 2 396.560 4.073 20 0 GIADLO CSc1nc(C(F)F)cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000572171866 823294304 /nfs/dbraw/zinc/29/43/04/823294304.db2.gz OZMVJASNBQLJHV-UHFFFAOYSA-N 1 2 384.883 4.112 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2cccc3ccccc32)cc1F ZINC000007583555 817874261 /nfs/dbraw/zinc/87/42/61/817874261.db2.gz PFFUGMACANBLRR-MRXNPFEDSA-N 1 2 380.463 4.297 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2cccc3ccccc32)cc1F ZINC000007583555 817874270 /nfs/dbraw/zinc/87/42/70/817874270.db2.gz PFFUGMACANBLRR-MRXNPFEDSA-N 1 2 380.463 4.297 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000007739511 817905623 /nfs/dbraw/zinc/90/56/23/817905623.db2.gz MVXBMMSQXFBKKK-FQEVSTJZSA-N 1 2 382.504 4.350 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000007739511 817905628 /nfs/dbraw/zinc/90/56/28/817905628.db2.gz MVXBMMSQXFBKKK-FQEVSTJZSA-N 1 2 382.504 4.350 20 0 GIADLO Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC[C@H]3c3cccn3C)cs2)cc1 ZINC000007855059 817939905 /nfs/dbraw/zinc/93/99/05/817939905.db2.gz FQOAZJMRIGBDSL-FQEVSTJZSA-N 1 2 394.544 4.308 20 0 GIADLO Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC[C@H]3c3cccn3C)cs2)cc1 ZINC000007855059 817939911 /nfs/dbraw/zinc/93/99/11/817939911.db2.gz FQOAZJMRIGBDSL-FQEVSTJZSA-N 1 2 394.544 4.308 20 0 GIADLO O=c1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c2ccc(O)cc2o1 ZINC000007909016 817955612 /nfs/dbraw/zinc/95/56/12/817955612.db2.gz LTUIRXWCUJXDPL-KRWDZBQOSA-N 1 2 378.453 4.445 20 0 GIADLO O=c1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c2ccc(O)cc2o1 ZINC000007909016 817955616 /nfs/dbraw/zinc/95/56/16/817955616.db2.gz LTUIRXWCUJXDPL-KRWDZBQOSA-N 1 2 378.453 4.445 20 0 GIADLO COc1ccc(C)cc1C[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000007914083 817956811 /nfs/dbraw/zinc/95/68/11/817956811.db2.gz FERCZWGWBAULBW-UHFFFAOYSA-N 1 2 391.309 4.145 20 0 GIADLO COc1ccc(C)cc1C[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000007914083 817956817 /nfs/dbraw/zinc/95/68/17/817956817.db2.gz FERCZWGWBAULBW-UHFFFAOYSA-N 1 2 391.309 4.145 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000007927242 817961690 /nfs/dbraw/zinc/96/16/90/817961690.db2.gz QPDMIZRWVVWDOS-LJQANCHMSA-N 1 2 386.561 4.493 20 0 GIADLO CCc1cccc(CC)c1NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000007927242 817961696 /nfs/dbraw/zinc/96/16/96/817961696.db2.gz QPDMIZRWVVWDOS-LJQANCHMSA-N 1 2 386.561 4.493 20 0 GIADLO CCCCn1c(SCc2cn3cc(C)ccc3[nH+]2)nc2ccccc2c1=O ZINC000008012142 817982817 /nfs/dbraw/zinc/98/28/17/817982817.db2.gz CNYSWTVYCVGGKA-UHFFFAOYSA-N 1 2 378.501 4.445 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000008092480 817999022 /nfs/dbraw/zinc/99/90/22/817999022.db2.gz WPZRXOQNUQHLBH-ZDUSSCGKSA-N 1 2 378.394 4.367 20 0 GIADLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000008092480 817999023 /nfs/dbraw/zinc/99/90/23/817999023.db2.gz WPZRXOQNUQHLBH-ZDUSSCGKSA-N 1 2 378.394 4.367 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(F)cc1F ZINC000008261796 818025208 /nfs/dbraw/zinc/02/52/08/818025208.db2.gz GKMWDZMFZCITQS-ZDUSSCGKSA-N 1 2 387.455 4.393 20 0 GIADLO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(F)cc1F ZINC000008261796 818025218 /nfs/dbraw/zinc/02/52/18/818025218.db2.gz GKMWDZMFZCITQS-ZDUSSCGKSA-N 1 2 387.455 4.393 20 0 GIADLO Cn1cc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c(C2CCCCC2)n1 ZINC000572237278 823305881 /nfs/dbraw/zinc/30/58/81/823305881.db2.gz FLXVGZHTYWZTJQ-SFHVURJKSA-N 1 2 377.492 4.352 20 0 GIADLO c1ccc(OCCSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)cc1 ZINC000057530299 823307156 /nfs/dbraw/zinc/30/71/56/823307156.db2.gz BTXIZLAAVNZSBU-UHFFFAOYSA-N 1 2 394.544 4.424 20 0 GIADLO Cc1cc(N2CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC2)nc(C(C)C)[nH+]1 ZINC000011077582 818050335 /nfs/dbraw/zinc/05/03/35/818050335.db2.gz PLCZMGSGEQLPCR-UHFFFAOYSA-N 1 2 398.894 4.270 20 0 GIADLO Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3cc[nH+]c(C)c3)[C@H]2c2cccs2)cc1 ZINC000011683339 818109524 /nfs/dbraw/zinc/10/95/24/818109524.db2.gz MSMNQINJTOHYAV-NQIIRXRSSA-N 1 2 391.496 4.493 20 0 GIADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000012569464 818167010 /nfs/dbraw/zinc/16/70/10/818167010.db2.gz OXZOYJNJOVCKSY-UHFFFAOYSA-N 1 2 399.494 4.060 20 0 GIADLO Cc1sc2nc([C@H](C)[N@H+](C)CCOc3cccc(Cl)c3)[nH]c(=O)c2c1C ZINC000014078840 818221160 /nfs/dbraw/zinc/22/11/60/818221160.db2.gz IQKHZCSGKSXXMZ-LBPRGKRZSA-N 1 2 391.924 4.327 20 0 GIADLO Cc1sc2nc([C@H](C)[N@@H+](C)CCOc3cccc(Cl)c3)[nH]c(=O)c2c1C ZINC000014078840 818221167 /nfs/dbraw/zinc/22/11/67/818221167.db2.gz IQKHZCSGKSXXMZ-LBPRGKRZSA-N 1 2 391.924 4.327 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000014327288 818235835 /nfs/dbraw/zinc/23/58/35/818235835.db2.gz ROIGMPOQMFHOIS-SFHVURJKSA-N 1 2 394.515 4.234 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(-n4cccc4)cc3)n2)CC1 ZINC000014527333 818249878 /nfs/dbraw/zinc/24/98/78/818249878.db2.gz GXOLGBYLBWQVDI-UHFFFAOYSA-N 1 2 380.517 4.418 20 0 GIADLO Cc1cc(N2CCN(C(=S)Nc3c(C)cccc3C)CC2)nc(C(C)C)[nH+]1 ZINC000015152968 818295645 /nfs/dbraw/zinc/29/56/45/818295645.db2.gz GGSSMIYIZHZYNO-UHFFFAOYSA-N 1 2 383.565 4.044 20 0 GIADLO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc1 ZINC000572363531 823327692 /nfs/dbraw/zinc/32/76/92/823327692.db2.gz NZYGSCAZQCURFX-OXJNMPFZSA-N 1 2 376.460 4.102 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1scnc1C(C)(C)C ZINC000176932517 823327693 /nfs/dbraw/zinc/32/76/93/823327693.db2.gz ATDCWOGNVCFHKH-UHFFFAOYSA-N 1 2 386.565 4.214 20 0 GIADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccoc1C1CC1 ZINC000409860900 823328806 /nfs/dbraw/zinc/32/88/06/823328806.db2.gz VEAJNZUBNJOXKO-IIBYNOLFSA-N 1 2 381.520 4.233 20 0 GIADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccoc1C1CC1 ZINC000409860900 823328811 /nfs/dbraw/zinc/32/88/11/823328811.db2.gz VEAJNZUBNJOXKO-IIBYNOLFSA-N 1 2 381.520 4.233 20 0 GIADLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000015548419 818336862 /nfs/dbraw/zinc/33/68/62/818336862.db2.gz ABDGCYBURSDGOC-LJQANCHMSA-N 1 2 383.879 4.312 20 0 GIADLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000015548419 818336869 /nfs/dbraw/zinc/33/68/69/818336869.db2.gz ABDGCYBURSDGOC-LJQANCHMSA-N 1 2 383.879 4.312 20 0 GIADLO Cc1ccccc1CCNC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000015548854 818337913 /nfs/dbraw/zinc/33/79/13/818337913.db2.gz NDGAAOZMLUYBAX-QFIPXVFZSA-N 1 2 396.581 4.424 20 0 GIADLO Cc1ccccc1CCNC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000015548854 818337919 /nfs/dbraw/zinc/33/79/19/818337919.db2.gz NDGAAOZMLUYBAX-QFIPXVFZSA-N 1 2 396.581 4.424 20 0 GIADLO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000409868134 823330681 /nfs/dbraw/zinc/33/06/81/823330681.db2.gz BZDJRHPOTGXSRS-XLNGHYISSA-N 1 2 379.435 4.148 20 0 GIADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)Cc1ccc(Br)s1 ZINC000016341655 818426893 /nfs/dbraw/zinc/42/68/93/818426893.db2.gz JJLJADZQIFMKJA-CYBMUJFWSA-N 1 2 393.350 4.310 20 0 GIADLO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)Cc1ccc(Br)s1 ZINC000016341655 818426901 /nfs/dbraw/zinc/42/69/01/818426901.db2.gz JJLJADZQIFMKJA-CYBMUJFWSA-N 1 2 393.350 4.310 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(SC)c2)c1 ZINC000016352179 818427776 /nfs/dbraw/zinc/42/77/76/818427776.db2.gz XCWNTLLUGYMOSH-IBGZPJMESA-N 1 2 386.517 4.201 20 0 GIADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(SC)c2)c1 ZINC000016352179 818427782 /nfs/dbraw/zinc/42/77/82/818427782.db2.gz XCWNTLLUGYMOSH-IBGZPJMESA-N 1 2 386.517 4.201 20 0 GIADLO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)C(=O)Nc1cccc3ccccc31)CC2 ZINC000016553944 818454692 /nfs/dbraw/zinc/45/46/92/818454692.db2.gz VSMOPQIVNXRKDZ-INIZCTEOSA-N 1 2 390.483 4.242 20 0 GIADLO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)C(=O)Nc1cccc3ccccc31)CC2 ZINC000016553944 818454697 /nfs/dbraw/zinc/45/46/97/818454697.db2.gz VSMOPQIVNXRKDZ-INIZCTEOSA-N 1 2 390.483 4.242 20 0 GIADLO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)Cc1ccc(F)cc1 ZINC000016632752 818461337 /nfs/dbraw/zinc/46/13/37/818461337.db2.gz ACRLBYLQLMWALE-SFHVURJKSA-N 1 2 397.475 4.290 20 0 GIADLO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)Cc1ccc(F)cc1 ZINC000016632752 818461341 /nfs/dbraw/zinc/46/13/41/818461341.db2.gz ACRLBYLQLMWALE-SFHVURJKSA-N 1 2 397.475 4.290 20 0 GIADLO COc1cc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)cc(OC)c1O ZINC000572444562 823340370 /nfs/dbraw/zinc/34/03/70/823340370.db2.gz YYFUWPMOEBEWBL-SFHVURJKSA-N 1 2 381.476 4.023 20 0 GIADLO COc1cc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)cc(OC)c1O ZINC000572444562 823340378 /nfs/dbraw/zinc/34/03/78/823340378.db2.gz YYFUWPMOEBEWBL-SFHVURJKSA-N 1 2 381.476 4.023 20 0 GIADLO C[C@H](NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000017308151 818507316 /nfs/dbraw/zinc/50/73/16/818507316.db2.gz YVBRLVAPOMKLBD-YJBOKZPZSA-N 1 2 392.952 4.260 20 0 GIADLO C[C@H](NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000017308151 818507324 /nfs/dbraw/zinc/50/73/24/818507324.db2.gz YVBRLVAPOMKLBD-YJBOKZPZSA-N 1 2 392.952 4.260 20 0 GIADLO COc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1Cl ZINC000017307805 818507344 /nfs/dbraw/zinc/50/73/44/818507344.db2.gz FEOYVDZIYUHPEX-OAHLLOKOSA-N 1 2 394.924 4.030 20 0 GIADLO COc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1Cl ZINC000017307805 818507353 /nfs/dbraw/zinc/50/73/53/818507353.db2.gz FEOYVDZIYUHPEX-OAHLLOKOSA-N 1 2 394.924 4.030 20 0 GIADLO Cc1nc2ccc(NC(=O)NCc3cc[nH+]c(N4CCCCC4)c3)cc2s1 ZINC000122350900 823342441 /nfs/dbraw/zinc/34/24/41/823342441.db2.gz ZSUYVXQAIWMRNM-UHFFFAOYSA-N 1 2 381.505 4.312 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000017744094 818526622 /nfs/dbraw/zinc/52/66/22/818526622.db2.gz SGJGFEATVQQQCC-UHFFFAOYSA-N 1 2 387.915 4.224 20 0 GIADLO COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000409932493 823346648 /nfs/dbraw/zinc/34/66/48/823346648.db2.gz NWEQHQOYZJIGTA-RTBURBONSA-N 1 2 396.531 4.296 20 0 GIADLO Fc1ccc(-c2nc(C[N@@H+]3CC[C@@H](COCc4ccccc4)C3)no2)c(F)c1 ZINC000189051015 823348770 /nfs/dbraw/zinc/34/87/70/823348770.db2.gz PXGTUIYOZRULJW-MRXNPFEDSA-N 1 2 385.414 4.054 20 0 GIADLO Fc1ccc(-c2nc(C[N@H+]3CC[C@@H](COCc4ccccc4)C3)no2)c(F)c1 ZINC000189051015 823348774 /nfs/dbraw/zinc/34/87/74/823348774.db2.gz PXGTUIYOZRULJW-MRXNPFEDSA-N 1 2 385.414 4.054 20 0 GIADLO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000122440038 823354384 /nfs/dbraw/zinc/35/43/84/823354384.db2.gz LTMYUILQFHEWRJ-MRXNPFEDSA-N 1 2 382.895 4.487 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cc(F)cc3c1OCOC3)CC2 ZINC000057950664 823350050 /nfs/dbraw/zinc/35/00/50/823350050.db2.gz YIIJIAGIGOGHOF-UHFFFAOYSA-N 1 2 387.451 4.048 20 0 GIADLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cc(F)cc3c1OCOC3)CC2 ZINC000057950664 823350057 /nfs/dbraw/zinc/35/00/57/823350057.db2.gz YIIJIAGIGOGHOF-UHFFFAOYSA-N 1 2 387.451 4.048 20 0 GIADLO COc1ccccc1C1(c2noc(Cn3c(C)[nH+]c4cc(F)c(F)cc43)n2)CC1 ZINC000572504487 823350774 /nfs/dbraw/zinc/35/07/74/823350774.db2.gz STBNTAWZKVMJHO-UHFFFAOYSA-N 1 2 396.397 4.143 20 0 GIADLO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2cccnc2)c2ccccc2)cc1Cl ZINC000021819368 818739377 /nfs/dbraw/zinc/73/93/77/818739377.db2.gz QGQOHKKWJBGBPX-FQEVSTJZSA-N 1 2 381.863 4.213 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccccc2F)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000189157885 823366914 /nfs/dbraw/zinc/36/69/14/823366914.db2.gz FZAWUHBNTPIIHD-CYBMUJFWSA-N 1 2 380.423 4.075 20 0 GIADLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)[nH+]1 ZINC000022089928 818771110 /nfs/dbraw/zinc/77/11/10/818771110.db2.gz BLEQCDYQBLCXTA-HNNXBMFYSA-N 1 2 394.500 4.066 20 0 GIADLO Cc1cccc(Oc2ncccc2NC(=O)N(C)CCCn2cc[nH+]c2)c1C ZINC000122493078 823362835 /nfs/dbraw/zinc/36/28/35/823362835.db2.gz QGWFBTWCRCSHIN-UHFFFAOYSA-N 1 2 379.464 4.241 20 0 GIADLO CCOc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1OCC ZINC000022289466 818790038 /nfs/dbraw/zinc/79/00/38/818790038.db2.gz NONGGGIVORSALK-UHFFFAOYSA-N 1 2 389.521 4.179 20 0 GIADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000460364734 823364865 /nfs/dbraw/zinc/36/48/65/823364865.db2.gz MTKYOMVOHBLKOH-PXAZEXFGSA-N 1 2 392.272 4.005 20 0 GIADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000460364734 823364873 /nfs/dbraw/zinc/36/48/73/823364873.db2.gz MTKYOMVOHBLKOH-PXAZEXFGSA-N 1 2 392.272 4.005 20 0 GIADLO C[C@@H]([NH2+]Cc1noc(-c2ccc(F)cc2F)n1)c1cccc(-n2cccn2)c1 ZINC000189163232 823368464 /nfs/dbraw/zinc/36/84/64/823368464.db2.gz VRKWYYOSAKIOGN-CYBMUJFWSA-N 1 2 381.386 4.051 20 0 GIADLO COc1ccc(-c2nn(C[N@H+](C)[C@@H]3CCc4ccccc43)c(=S)n2C)cc1 ZINC000022758342 818856465 /nfs/dbraw/zinc/85/64/65/818856465.db2.gz VLLRNDCGQUDGGN-LJQANCHMSA-N 1 2 380.517 4.203 20 0 GIADLO COc1ccc(-c2nn(C[N@@H+](C)[C@@H]3CCc4ccccc43)c(=S)n2C)cc1 ZINC000022758342 818856469 /nfs/dbraw/zinc/85/64/69/818856469.db2.gz VLLRNDCGQUDGGN-LJQANCHMSA-N 1 2 380.517 4.203 20 0 GIADLO C[N@H+](Cn1nc(-c2cccnc2)n(C2CC2)c1=S)[C@H]1CCc2ccccc21 ZINC000022758552 818857114 /nfs/dbraw/zinc/85/71/14/818857114.db2.gz GNEYADKLHJWWRJ-IBGZPJMESA-N 1 2 377.517 4.388 20 0 GIADLO C[N@@H+](Cn1nc(-c2cccnc2)n(C2CC2)c1=S)[C@H]1CCc2ccccc21 ZINC000022758552 818857121 /nfs/dbraw/zinc/85/71/21/818857121.db2.gz GNEYADKLHJWWRJ-IBGZPJMESA-N 1 2 377.517 4.388 20 0 GIADLO Cc1cc(-c2ncccc2NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000189192483 823373252 /nfs/dbraw/zinc/37/32/52/823373252.db2.gz XVJHYJYGLDTHOJ-MRXNPFEDSA-N 1 2 395.532 4.339 20 0 GIADLO CC(C)(NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000058251111 823371738 /nfs/dbraw/zinc/37/17/38/823371738.db2.gz VCXRTFIISDYWLF-UHFFFAOYSA-N 1 2 398.304 4.359 20 0 GIADLO CCN1C[C@@H](C[N@H+](C)Cc2nnc(-c3ccc(Cl)cc3)o2)Oc2ccccc21 ZINC000058289100 823374784 /nfs/dbraw/zinc/37/47/84/823374784.db2.gz MMQAOWSYBLASTC-QGZVFWFLSA-N 1 2 398.894 4.109 20 0 GIADLO CCN1C[C@@H](C[N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3)o2)Oc2ccccc21 ZINC000058289100 823374788 /nfs/dbraw/zinc/37/47/88/823374788.db2.gz MMQAOWSYBLASTC-QGZVFWFLSA-N 1 2 398.894 4.109 20 0 GIADLO O=C(CCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccccc1 ZINC000023956977 818997448 /nfs/dbraw/zinc/99/74/48/818997448.db2.gz VAFFZNWGGXYWED-UHFFFAOYSA-N 1 2 386.495 4.147 20 0 GIADLO CCc1cc2c(ncnc2N2CC[NH+](Cc3ccc(Cl)s3)CC2)s1 ZINC000024058732 819016840 /nfs/dbraw/zinc/01/68/40/819016840.db2.gz PRLUNAHWQHKJIT-UHFFFAOYSA-N 1 2 378.954 4.291 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(C2CC2)nc2ccccc21 ZINC000058414511 823387646 /nfs/dbraw/zinc/38/76/46/823387646.db2.gz HBPOBXMPLLGDRQ-UHFFFAOYSA-N 1 2 386.499 4.428 20 0 GIADLO O=C(NC[C@H]1CCC[C@H]1c1ccccc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000572717561 823388281 /nfs/dbraw/zinc/38/82/81/823388281.db2.gz HCPNYVSSSMWJIG-UXHICEINSA-N 1 2 375.476 4.032 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccsc3Cl)CC2)cc1 ZINC000189314157 823392188 /nfs/dbraw/zinc/39/21/88/823392188.db2.gz GBIYDCXLOQBHGO-UHFFFAOYSA-N 1 2 379.913 4.150 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000177181371 823393095 /nfs/dbraw/zinc/39/30/95/823393095.db2.gz SRSSQVCKBWJYDE-UHFFFAOYSA-N 1 2 387.443 4.272 20 0 GIADLO COc1cccc([C@@H](C)CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000177175042 823391266 /nfs/dbraw/zinc/39/12/66/823391266.db2.gz NXTKROWZEJCSMD-KRWDZBQOSA-N 1 2 379.460 4.103 20 0 GIADLO COc1ccccc1C1(C[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)CCCC1 ZINC000572741039 823391421 /nfs/dbraw/zinc/39/14/21/823391421.db2.gz JCTAJSSLHUKUOJ-HXUWFJFHSA-N 1 2 380.467 4.143 20 0 GIADLO Cc1nc([C@H](C)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)no1 ZINC000572767046 823394829 /nfs/dbraw/zinc/39/48/29/823394829.db2.gz XWQGZCGPOYCRNU-HRAATJIYSA-N 1 2 396.922 4.500 20 0 GIADLO COc1ccc([C@H](C)CC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000177198073 823396915 /nfs/dbraw/zinc/39/69/15/823396915.db2.gz PBQKKVLUBYZIHX-GOSISDBHSA-N 1 2 395.547 4.040 20 0 GIADLO Cc1csc(Sc2ccc(NC(=O)N(C)CCCn3cc[nH+]c3)cc2)n1 ZINC000122721502 823400247 /nfs/dbraw/zinc/40/02/47/823400247.db2.gz UVXUJKPDYJXMHA-UHFFFAOYSA-N 1 2 387.534 4.353 20 0 GIADLO C[C@H](NC(=O)N[C@@H]1CCCc2c(O)cccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000189363097 823401112 /nfs/dbraw/zinc/40/11/12/823401112.db2.gz OYHIYTRKEKUVBO-MGPUTAFESA-N 1 2 376.460 4.016 20 0 GIADLO COc1cc(C)ccc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000122727231 823401487 /nfs/dbraw/zinc/40/14/87/823401487.db2.gz LSCHCSCQKCRIEQ-PZJWPPBQSA-N 1 2 376.460 4.250 20 0 GIADLO COc1cc(C)ccc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000122727752 823401622 /nfs/dbraw/zinc/40/16/22/823401622.db2.gz LSCHCSCQKCRIEQ-TZIWHRDSSA-N 1 2 376.460 4.250 20 0 GIADLO C/C(=C\C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1OC(F)F ZINC000177226486 823404590 /nfs/dbraw/zinc/40/45/90/823404590.db2.gz QOATYPJVHZSDTO-LFIBNONCSA-N 1 2 397.425 4.253 20 0 GIADLO COc1cccc(COCC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000572821639 823405682 /nfs/dbraw/zinc/40/56/82/823405682.db2.gz XFMBXHGGYGFRCZ-UHFFFAOYSA-N 1 2 391.471 4.050 20 0 GIADLO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cn1nc(C2CC2)n(C2CC2)c1=S ZINC000058540012 823406132 /nfs/dbraw/zinc/40/61/32/823406132.db2.gz NWYTXJLNVNSTBO-SFHVURJKSA-N 1 2 384.549 4.300 20 0 GIADLO COc1ccccc1C[C@@H]1CCC[N@H+]1Cn1nc(C2CC2)n(C2CC2)c1=S ZINC000058540012 823406136 /nfs/dbraw/zinc/40/61/36/823406136.db2.gz NWYTXJLNVNSTBO-SFHVURJKSA-N 1 2 384.549 4.300 20 0 GIADLO FC(F)Oc1cc(-c2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)ccn1 ZINC000410166873 823408406 /nfs/dbraw/zinc/40/84/06/823408406.db2.gz ZGOJGIIQIXSZPM-UTCJRWHESA-N 1 2 381.342 4.089 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(-c3nccs3)cc2)c1C ZINC000058609366 823416248 /nfs/dbraw/zinc/41/62/48/823416248.db2.gz JKVOEODKHMEYDU-UHFFFAOYSA-N 1 2 382.489 4.494 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(OCC(F)(F)F)c2)c1C ZINC000058620691 823418117 /nfs/dbraw/zinc/41/81/17/823418117.db2.gz AGMMEYSQSWGCFP-UHFFFAOYSA-N 1 2 397.397 4.312 20 0 GIADLO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000058624693 823418930 /nfs/dbraw/zinc/41/89/30/823418930.db2.gz LMNPQUYESIEDHE-UHFFFAOYSA-N 1 2 384.480 4.028 20 0 GIADLO O=C(Nc1ccc2c(c1)C(=O)CCC2)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000177290253 823422755 /nfs/dbraw/zinc/42/27/55/823422755.db2.gz KDQRSZGJWKVADJ-UHFFFAOYSA-N 1 2 395.478 4.085 20 0 GIADLO O=C(Nc1ccc2c(c1)C(=O)CCC2)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000177290253 823422759 /nfs/dbraw/zinc/42/27/59/823422759.db2.gz KDQRSZGJWKVADJ-UHFFFAOYSA-N 1 2 395.478 4.085 20 0 GIADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000122852990 823423735 /nfs/dbraw/zinc/42/37/35/823423735.db2.gz NPFDAFWMRDKWEY-UHFFFAOYSA-N 1 2 376.888 4.412 20 0 GIADLO CC[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1nc(C(F)(F)F)cs1 ZINC000572921918 823420070 /nfs/dbraw/zinc/42/00/70/823420070.db2.gz KKDRXCNQQYVAIM-ZDUSSCGKSA-N 1 2 381.423 4.255 20 0 GIADLO O=C(C[NH+]1CCC(c2noc3cc(F)ccc32)CC1)Nc1ccccc1Cl ZINC000572922948 823420421 /nfs/dbraw/zinc/42/04/21/823420421.db2.gz DAPOCURPFAJUCX-UHFFFAOYSA-N 1 2 387.842 4.438 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H](C)c1cccc(OC)c1 ZINC000177320320 823431996 /nfs/dbraw/zinc/43/19/96/823431996.db2.gz WKEGYHNVUAMVCY-IBGZPJMESA-N 1 2 395.547 4.349 20 0 GIADLO Cc1ccc(C(C)C)cc1OCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024747198 819872222 /nfs/dbraw/zinc/87/22/22/819872222.db2.gz WPDOWZWRNIVQGY-UHFFFAOYSA-N 1 2 377.488 4.058 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc2c3c([nH]c21)CCCC3 ZINC000024752500 819873438 /nfs/dbraw/zinc/87/34/38/819873438.db2.gz IRCNPRKBNXXBHB-UHFFFAOYSA-N 1 2 384.483 4.222 20 0 GIADLO CCOc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1OC ZINC000024886828 819889206 /nfs/dbraw/zinc/88/92/06/819889206.db2.gz TZNTUSLAMPZVRA-AWEZNQCLSA-N 1 2 389.521 4.035 20 0 GIADLO CCOc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1OC ZINC000024886828 819889213 /nfs/dbraw/zinc/88/92/13/819889213.db2.gz TZNTUSLAMPZVRA-AWEZNQCLSA-N 1 2 389.521 4.035 20 0 GIADLO COc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc12 ZINC000410265709 823440461 /nfs/dbraw/zinc/44/04/61/823440461.db2.gz ODVLHZNEGXPRJY-KRWDZBQOSA-N 1 2 389.499 4.401 20 0 GIADLO O=C(c1ccc(OCC2CC2)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410259085 823437565 /nfs/dbraw/zinc/43/75/65/823437565.db2.gz ALKNQAVEXFJBRJ-LJQANCHMSA-N 1 2 379.504 4.028 20 0 GIADLO CC(C)COc1cccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000410259219 823437634 /nfs/dbraw/zinc/43/76/34/823437634.db2.gz XRYTYYMOOPUQIC-IBGZPJMESA-N 1 2 381.520 4.274 20 0 GIADLO CC(C)c1c(C(=O)N(C)CCCn2cc[nH+]c2)cnn1-c1ccccc1Cl ZINC000189526617 823437678 /nfs/dbraw/zinc/43/76/78/823437678.db2.gz OVHLXJOQCFUROZ-UHFFFAOYSA-N 1 2 385.899 4.008 20 0 GIADLO CC(C)Cc1ccc(CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410259472 823437696 /nfs/dbraw/zinc/43/76/96/823437696.db2.gz AWJYXGSLGBOCCK-NRFANRHFSA-N 1 2 379.548 4.367 20 0 GIADLO C[C@H](NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccccc1Cl ZINC000025054879 819916290 /nfs/dbraw/zinc/91/62/90/819916290.db2.gz IGFSZOWOIFNWBE-INIZCTEOSA-N 1 2 384.907 4.112 20 0 GIADLO CC[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(OC)cc1 ZINC000410268599 823441968 /nfs/dbraw/zinc/44/19/68/823441968.db2.gz USVUNRXZPMFYLC-GHTZIAJQSA-N 1 2 381.520 4.128 20 0 GIADLO O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410269198 823442383 /nfs/dbraw/zinc/44/23/83/823442383.db2.gz CRSMBQWFZVJOKN-ZDUSSCGKSA-N 1 2 395.400 4.397 20 0 GIADLO C[C@H](NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccccc1Cl ZINC000025420290 819977672 /nfs/dbraw/zinc/97/76/72/819977672.db2.gz LNMACBFJUGOEKD-AOMKIAJQSA-N 1 2 379.891 4.291 20 0 GIADLO C[C@@H](NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccccc1Cl ZINC000025420286 819977826 /nfs/dbraw/zinc/97/78/26/819977826.db2.gz LNMACBFJUGOEKD-ZHRRBRCNSA-N 1 2 379.891 4.291 20 0 GIADLO CC(=O)Nc1ccc2c(C[NH2+][C@H](c3ccccc3)c3ccccn3)cc(=O)oc2c1 ZINC000025418994 819977984 /nfs/dbraw/zinc/97/79/84/819977984.db2.gz FYFHBGVPBPPBGF-XMMPIXPASA-N 1 2 399.450 4.026 20 0 GIADLO O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410272229 823443460 /nfs/dbraw/zinc/44/34/60/823443460.db2.gz WQZOPKMNTWUNGI-USXIJHARSA-N 1 2 383.458 4.294 20 0 GIADLO O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410272227 823443558 /nfs/dbraw/zinc/44/35/58/823443558.db2.gz WQZOPKMNTWUNGI-UAGQMJEPSA-N 1 2 383.458 4.294 20 0 GIADLO C[C@@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccc(Br)cc1 ZINC000025689987 820014816 /nfs/dbraw/zinc/01/48/16/820014816.db2.gz XBMMGVVIZIXVHK-LLVKDONJSA-N 1 2 398.260 4.283 20 0 GIADLO O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410276671 823445431 /nfs/dbraw/zinc/44/54/31/823445431.db2.gz RTFUUCULNKZDFX-OAQYLSRUSA-N 1 2 377.532 4.047 20 0 GIADLO CC[N@H+](C)[C@H](c1nc([C@H](NC(=O)c2ccccc2)C(C)C)no1)c1ccccc1 ZINC000573097989 823447057 /nfs/dbraw/zinc/44/70/57/823447057.db2.gz SEKBIBNOAKFVQS-UXHICEINSA-N 1 2 392.503 4.238 20 0 GIADLO CC[N@@H+](C)[C@H](c1nc([C@H](NC(=O)c2ccccc2)C(C)C)no1)c1ccccc1 ZINC000573097989 823447060 /nfs/dbraw/zinc/44/70/60/823447060.db2.gz SEKBIBNOAKFVQS-UXHICEINSA-N 1 2 392.503 4.238 20 0 GIADLO CC[N@H+](CC(=O)Nc1ccccc1C(=O)NC(C)C)Cc1ccc(Cl)s1 ZINC000025923352 820039949 /nfs/dbraw/zinc/03/99/49/820039949.db2.gz UDDLYGQFPUZVPK-UHFFFAOYSA-N 1 2 393.940 4.000 20 0 GIADLO CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NC(C)C)Cc1ccc(Cl)s1 ZINC000025923352 820039957 /nfs/dbraw/zinc/03/99/57/820039957.db2.gz UDDLYGQFPUZVPK-UHFFFAOYSA-N 1 2 393.940 4.000 20 0 GIADLO O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410284388 823448583 /nfs/dbraw/zinc/44/85/83/823448583.db2.gz VLAANMOGVBQTMC-MRXNPFEDSA-N 1 2 391.437 4.187 20 0 GIADLO O=C(N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000410285095 823448763 /nfs/dbraw/zinc/44/87/63/823448763.db2.gz XUSLLQBGUJWOFC-INIZCTEOSA-N 1 2 383.923 4.311 20 0 GIADLO C[C@H]1CCc2c(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)csc2C1 ZINC000026215612 820070077 /nfs/dbraw/zinc/07/00/77/820070077.db2.gz CKYRIMHPQOTVSY-INIZCTEOSA-N 1 2 379.529 4.090 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2Cl)c(OC)c1 ZINC000026323573 820083241 /nfs/dbraw/zinc/08/32/41/820083241.db2.gz VMGFTHOBMJNYTC-CQSZACIVSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2Cl)c(OC)c1 ZINC000026323573 820083250 /nfs/dbraw/zinc/08/32/50/820083250.db2.gz VMGFTHOBMJNYTC-CQSZACIVSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2C)c(OC)c1 ZINC000026323548 820083687 /nfs/dbraw/zinc/08/36/87/820083687.db2.gz CPHCSJAWJNPNNU-CQSZACIVSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2C)c(OC)c1 ZINC000026323548 820083695 /nfs/dbraw/zinc/08/36/95/820083695.db2.gz CPHCSJAWJNPNNU-CQSZACIVSA-N 1 2 376.884 4.125 20 0 GIADLO CC[C@H](C)Oc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410291342 823451743 /nfs/dbraw/zinc/45/17/43/823451743.db2.gz NWOKZKSKRGNTMO-HKUYNNGSSA-N 1 2 381.520 4.417 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)c2c(C)[nH]c3ccccc32)cc1OC(F)F ZINC000026452581 820098474 /nfs/dbraw/zinc/09/84/74/820098474.db2.gz QEESYYVTYJUALK-UHFFFAOYSA-N 1 2 388.414 4.401 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)c2c(C)[nH]c3ccccc32)cc1OC(F)F ZINC000026452581 820098485 /nfs/dbraw/zinc/09/84/85/820098485.db2.gz QEESYYVTYJUALK-UHFFFAOYSA-N 1 2 388.414 4.401 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C)CC1 ZINC000026469604 820100735 /nfs/dbraw/zinc/10/07/35/820100735.db2.gz CJGOPHZNYPFOMZ-LJQANCHMSA-N 1 2 379.548 4.269 20 0 GIADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000026475603 820101381 /nfs/dbraw/zinc/10/13/81/820101381.db2.gz WLBAZUNLFXYXPG-AWEZNQCLSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000026475603 820101384 /nfs/dbraw/zinc/10/13/84/820101384.db2.gz WLBAZUNLFXYXPG-AWEZNQCLSA-N 1 2 376.884 4.125 20 0 GIADLO O=C(C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccc(N2CCCC2)cc1 ZINC000177400968 823453971 /nfs/dbraw/zinc/45/39/71/823453971.db2.gz BCQZPSSXKOLANN-LJQANCHMSA-N 1 2 397.544 4.024 20 0 GIADLO O=C(C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccc(N2CCCC2)cc1 ZINC000177400968 823453974 /nfs/dbraw/zinc/45/39/74/823453974.db2.gz BCQZPSSXKOLANN-LJQANCHMSA-N 1 2 397.544 4.024 20 0 GIADLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@H](C)c3ccc(F)cc3)CC2)c(C)c1 ZINC000026640782 820126285 /nfs/dbraw/zinc/12/62/85/820126285.db2.gz BBPUAQDSNPEGPS-GOSISDBHSA-N 1 2 396.506 4.215 20 0 GIADLO COc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000026807522 820147691 /nfs/dbraw/zinc/14/76/91/820147691.db2.gz WMYTVDDJORSJAZ-HNNXBMFYSA-N 1 2 393.512 4.204 20 0 GIADLO COc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)n2)cc1 ZINC000026807522 820147698 /nfs/dbraw/zinc/14/76/98/820147698.db2.gz WMYTVDDJORSJAZ-HNNXBMFYSA-N 1 2 393.512 4.204 20 0 GIADLO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026812601 820147926 /nfs/dbraw/zinc/14/79/26/820147926.db2.gz JPTXKJTTXIZCKK-ZDUSSCGKSA-N 1 2 375.925 4.062 20 0 GIADLO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026812601 820147932 /nfs/dbraw/zinc/14/79/32/820147932.db2.gz JPTXKJTTXIZCKK-ZDUSSCGKSA-N 1 2 375.925 4.062 20 0 GIADLO C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410311304 823459659 /nfs/dbraw/zinc/45/96/59/823459659.db2.gz ZUIXTCQTNUNWEY-ICSRJNTNSA-N 1 2 397.588 4.495 20 0 GIADLO c1nc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)n(-c2ccccc2)n1 ZINC000410312566 823460138 /nfs/dbraw/zinc/46/01/38/823460138.db2.gz DRHBTXWUPCODRC-UHFFFAOYSA-N 1 2 375.501 4.257 20 0 GIADLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1F ZINC000027211852 820210201 /nfs/dbraw/zinc/21/02/01/820210201.db2.gz VWCUPZVBQLIJAE-LLVKDONJSA-N 1 2 391.443 4.042 20 0 GIADLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)cc1F ZINC000027211852 820210210 /nfs/dbraw/zinc/21/02/10/820210210.db2.gz VWCUPZVBQLIJAE-LLVKDONJSA-N 1 2 391.443 4.042 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)C2CC2)cc1 ZINC000027273555 820217756 /nfs/dbraw/zinc/21/77/56/820217756.db2.gz TXJMGWPWWRZLEX-REWPJTCUSA-N 1 2 398.572 4.305 20 0 GIADLO Cc1ccc([C@H](NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)C2CC2)cc1 ZINC000027273555 820217760 /nfs/dbraw/zinc/21/77/60/820217760.db2.gz TXJMGWPWWRZLEX-REWPJTCUSA-N 1 2 398.572 4.305 20 0 GIADLO Cc1oc(-c2cccs2)nc1C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027290741 820221803 /nfs/dbraw/zinc/22/18/03/820221803.db2.gz ZEEZFTHIUPHOFP-UHFFFAOYSA-N 1 2 381.501 4.236 20 0 GIADLO Cc1oc(-c2cccs2)nc1C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027290741 820221813 /nfs/dbraw/zinc/22/18/13/820221813.db2.gz ZEEZFTHIUPHOFP-UHFFFAOYSA-N 1 2 381.501 4.236 20 0 GIADLO C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000123109937 823463941 /nfs/dbraw/zinc/46/39/41/823463941.db2.gz IYXINMUDXDKTRH-XMSQKQJNSA-N 1 2 375.472 4.185 20 0 GIADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000573200958 823464602 /nfs/dbraw/zinc/46/46/02/823464602.db2.gz WAYLNCNGLMYHPZ-KOUNCHBCSA-N 1 2 386.499 4.196 20 0 GIADLO C[C@@H]1CCc2c(C(=O)N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)csc2C1 ZINC000410328450 823464782 /nfs/dbraw/zinc/46/47/82/823464782.db2.gz SPGFGYYYFKZGHD-HZPDHXFCSA-N 1 2 383.561 4.426 20 0 GIADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000573217334 823467091 /nfs/dbraw/zinc/46/70/91/823467091.db2.gz BKJVGFABYWNLOJ-BLLLJJGKSA-N 1 2 384.480 4.045 20 0 GIADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000573217334 823467092 /nfs/dbraw/zinc/46/70/92/823467092.db2.gz BKJVGFABYWNLOJ-BLLLJJGKSA-N 1 2 384.480 4.045 20 0 GIADLO COc1ccc(-c2cncc(C(=O)N(C)Cc3[nH+]cc(C)c(OC)c3C)c2)cc1 ZINC000177462974 823468123 /nfs/dbraw/zinc/46/81/23/823468123.db2.gz QCAMLNIBUGNSSD-UHFFFAOYSA-N 1 2 391.471 4.050 20 0 GIADLO COc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c(C)c(OC)c1 ZINC000410351388 823470597 /nfs/dbraw/zinc/47/05/97/823470597.db2.gz XIQVORACIPWNSN-FQEVSTJZSA-N 1 2 386.467 4.145 20 0 GIADLO COc1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c(C)c(OC)c1 ZINC000410351388 823470599 /nfs/dbraw/zinc/47/05/99/823470599.db2.gz XIQVORACIPWNSN-FQEVSTJZSA-N 1 2 386.467 4.145 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C(C)(C)Oc3ccc(F)cc3)n2)C1 ZINC000028683522 820350229 /nfs/dbraw/zinc/35/02/29/820350229.db2.gz PMIXFERDFSGLNZ-CQSZACIVSA-N 1 2 391.512 4.310 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C(C)(C)Oc3ccc(F)cc3)n2)C1 ZINC000028683522 820350240 /nfs/dbraw/zinc/35/02/40/820350240.db2.gz PMIXFERDFSGLNZ-CQSZACIVSA-N 1 2 391.512 4.310 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccccc3Cl)n2)C1 ZINC000028683235 820350570 /nfs/dbraw/zinc/35/05/70/820350570.db2.gz RXRIQCKJOIBDAO-CYBMUJFWSA-N 1 2 379.913 4.046 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccccc3Cl)n2)C1 ZINC000028683235 820350577 /nfs/dbraw/zinc/35/05/77/820350577.db2.gz RXRIQCKJOIBDAO-CYBMUJFWSA-N 1 2 379.913 4.046 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(-c2ccccc2Cl)on1 ZINC000029091493 820391359 /nfs/dbraw/zinc/39/13/59/820391359.db2.gz HYOQNHZGRUCYAY-UHFFFAOYSA-N 1 2 392.846 4.170 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCC(=O)c2ccc3c(c2)CCCC3)c1C ZINC000058957852 823476081 /nfs/dbraw/zinc/47/60/81/823476081.db2.gz PSMWAKOHDSXBKC-UHFFFAOYSA-N 1 2 394.515 4.207 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1C ZINC000058958288 823476420 /nfs/dbraw/zinc/47/64/20/823476420.db2.gz DDZFQCSQAPHILU-UHFFFAOYSA-N 1 2 399.491 4.326 20 0 GIADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000029365006 820444539 /nfs/dbraw/zinc/44/45/39/820444539.db2.gz KACYLUKPFAIBLX-DVQDXYAYSA-N 1 2 379.891 4.130 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189713370 823480716 /nfs/dbraw/zinc/48/07/16/823480716.db2.gz RTALKOKQSLGSAH-PKTZIBPZSA-N 1 2 388.515 4.142 20 0 GIADLO CC[N@@H+](Cc1ccc(Cl)s1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000029503800 820464936 /nfs/dbraw/zinc/46/49/36/820464936.db2.gz IRUCMQGNNOFAHJ-UHFFFAOYSA-N 1 2 377.857 4.048 20 0 GIADLO CC[N@H+](Cc1ccc(Cl)s1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000029503800 820464941 /nfs/dbraw/zinc/46/49/41/820464941.db2.gz IRUCMQGNNOFAHJ-UHFFFAOYSA-N 1 2 377.857 4.048 20 0 GIADLO C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(-c2cccnc2)cc1 ZINC000177524482 823481942 /nfs/dbraw/zinc/48/19/42/823481942.db2.gz FXVRSEKCXJFQOJ-QGZVFWFLSA-N 1 2 375.476 4.006 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000189725687 823482872 /nfs/dbraw/zinc/48/28/72/823482872.db2.gz HABNTMWPMREIOZ-QGZVFWFLSA-N 1 2 396.539 4.020 20 0 GIADLO C[C@H](c1nc(C(C)(C)C)no1)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000029692509 820498480 /nfs/dbraw/zinc/49/84/80/820498480.db2.gz MOTWNEPDWWVKBV-LSDHHAIUSA-N 1 2 376.932 4.460 20 0 GIADLO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000029692515 820498729 /nfs/dbraw/zinc/49/87/29/820498729.db2.gz MOTWNEPDWWVKBV-GJZGRUSLSA-N 1 2 376.932 4.460 20 0 GIADLO O=C(c1cccc2ccccc21)N1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000029718777 820505890 /nfs/dbraw/zinc/50/58/90/820505890.db2.gz ZPLJESOHJZMTSC-UHFFFAOYSA-N 1 2 399.469 4.485 20 0 GIADLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(-c2ccc(C)cc2)no1 ZINC000029719884 820506711 /nfs/dbraw/zinc/50/67/11/820506711.db2.gz JNXPPTYMWSHHRV-UHFFFAOYSA-N 1 2 379.460 4.119 20 0 GIADLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(-c2ccc(C)cc2)no1 ZINC000029719884 820506718 /nfs/dbraw/zinc/50/67/18/820506718.db2.gz JNXPPTYMWSHHRV-UHFFFAOYSA-N 1 2 379.460 4.119 20 0 GIADLO Clc1ccc(O[C@H]2CC[N@H+](Cc3ncnn3-c3ccccc3)C2)cc1Cl ZINC000410408987 823489743 /nfs/dbraw/zinc/48/97/43/823489743.db2.gz CEFKWOGMIBIMAV-INIZCTEOSA-N 1 2 389.286 4.227 20 0 GIADLO Clc1ccc(O[C@H]2CC[N@@H+](Cc3ncnn3-c3ccccc3)C2)cc1Cl ZINC000410408987 823489746 /nfs/dbraw/zinc/48/97/46/823489746.db2.gz CEFKWOGMIBIMAV-INIZCTEOSA-N 1 2 389.286 4.227 20 0 GIADLO C[C@H]1SCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000573402770 823488843 /nfs/dbraw/zinc/48/88/43/823488843.db2.gz OUYNUKUVRBHJBC-UTKZUKDTSA-N 1 2 377.513 4.250 20 0 GIADLO CNC(=O)Cc1nc(C[N@H+](Cc2ccc(Cl)c(Cl)c2)C(C)C)cs1 ZINC000177570636 823493746 /nfs/dbraw/zinc/49/37/46/823493746.db2.gz BVDCIOSESYIDMY-UHFFFAOYSA-N 1 2 386.348 4.149 20 0 GIADLO CNC(=O)Cc1nc(C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C(C)C)cs1 ZINC000177570636 823493750 /nfs/dbraw/zinc/49/37/50/823493750.db2.gz BVDCIOSESYIDMY-UHFFFAOYSA-N 1 2 386.348 4.149 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2nc3sc(C)c(C)c3c(N)n2)c(C)c1OC ZINC000573469707 823493822 /nfs/dbraw/zinc/49/38/22/823493822.db2.gz HLBVZKMCOSCLJU-LBPRGKRZSA-N 1 2 386.521 4.067 20 0 GIADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030216820 820588436 /nfs/dbraw/zinc/58/84/36/820588436.db2.gz BSVIUBAESQRGOI-QIJUGHKUSA-N 1 2 383.536 4.025 20 0 GIADLO FC(F)(F)c1csc(C[NH2+]Cc2ccccc2OCc2cccnc2)n1 ZINC000123308270 823494407 /nfs/dbraw/zinc/49/44/07/823494407.db2.gz TYXYXIMFMRUGND-UHFFFAOYSA-N 1 2 379.407 4.426 20 0 GIADLO COc1ccc2cc(/C=C/C(=O)N3CC[NH+](Cc4ccsc4)CC3)ccc2c1 ZINC000030542046 820635622 /nfs/dbraw/zinc/63/56/22/820635622.db2.gz ZYVUQHUIOUAYTH-XVNBXDOJSA-N 1 2 392.524 4.268 20 0 GIADLO CCCCC[N@H+](Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)C(C)C ZINC000059350230 823492923 /nfs/dbraw/zinc/49/29/23/823492923.db2.gz OLOPIJJNNGQFSK-UHFFFAOYSA-N 1 2 378.517 4.008 20 0 GIADLO CCCCC[N@@H+](Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)C(C)C ZINC000059350230 823492928 /nfs/dbraw/zinc/49/29/28/823492928.db2.gz OLOPIJJNNGQFSK-UHFFFAOYSA-N 1 2 378.517 4.008 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)C1 ZINC000030580802 820644906 /nfs/dbraw/zinc/64/49/06/820644906.db2.gz JIGISSURXYQQJY-SNVBAGLBSA-N 1 2 385.320 4.329 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)C1 ZINC000030580802 820644910 /nfs/dbraw/zinc/64/49/10/820644910.db2.gz JIGISSURXYQQJY-SNVBAGLBSA-N 1 2 385.320 4.329 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1csc(Br)c1 ZINC000030582959 820644970 /nfs/dbraw/zinc/64/49/70/820644970.db2.gz VYNOCJULMUGPCP-UHFFFAOYSA-N 1 2 386.340 4.205 20 0 GIADLO C[N@@H+]1CCN(C(=O)CCC(=O)c2ccc3ccccc3c2)[C@@H](c2ccccc2)C1 ZINC000030997417 820718861 /nfs/dbraw/zinc/71/88/61/820718861.db2.gz WMALEWBYTLFSSC-HSZRJFAPSA-N 1 2 386.495 4.318 20 0 GIADLO C[N@H+]1CCN(C(=O)CCC(=O)c2ccc3ccccc3c2)[C@@H](c2ccccc2)C1 ZINC000030997417 820718867 /nfs/dbraw/zinc/71/88/67/820718867.db2.gz WMALEWBYTLFSSC-HSZRJFAPSA-N 1 2 386.495 4.318 20 0 GIADLO O=C(NCc1ccc(F)cc1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031092420 820738334 /nfs/dbraw/zinc/73/83/34/820738334.db2.gz IKCMCQJTDPQYAQ-SFHVURJKSA-N 1 2 393.865 4.255 20 0 GIADLO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(-c3cccnc3)no2)cc1OC ZINC000123388022 823504354 /nfs/dbraw/zinc/50/43/54/823504354.db2.gz DZXGLDLCDQSMAE-GJZGRUSLSA-N 1 2 382.464 4.341 20 0 GIADLO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000060013788 823504684 /nfs/dbraw/zinc/50/46/84/823504684.db2.gz VFWZEKDJAFXFCY-ZDUSSCGKSA-N 1 2 390.270 4.263 20 0 GIADLO Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)Nc4cccnc4Cl)CC3)oc21 ZINC000189818947 823501582 /nfs/dbraw/zinc/50/15/82/823501582.db2.gz QVOGNNWLRNCJSF-CQSZACIVSA-N 1 2 398.894 4.391 20 0 GIADLO C[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2O)C[C@@H]1n1cc[nH+]c1 ZINC000123367367 823502241 /nfs/dbraw/zinc/50/22/41/823502241.db2.gz LGSSAMLQFHTHJW-UZLBHIALSA-N 1 2 377.444 4.104 20 0 GIADLO Cc1ccc(SCCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000031493562 820817343 /nfs/dbraw/zinc/81/73/43/820817343.db2.gz NPHIOBRKPYCMDR-UHFFFAOYSA-N 1 2 398.576 4.048 20 0 GIADLO Cn1c[nH+]cc1CCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000189867862 823508270 /nfs/dbraw/zinc/50/82/70/823508270.db2.gz VNEGBRGYQNLTLD-UHFFFAOYSA-N 1 2 380.395 4.134 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NCc1ccccc1 ZINC000031660751 820840636 /nfs/dbraw/zinc/84/06/36/820840636.db2.gz VSGKVDWCISJBIC-UHFFFAOYSA-N 1 2 392.503 4.084 20 0 GIADLO O=C1CCCCN1C1CC[NH+](Cc2cccc(Br)c2Cl)CC1 ZINC000411355762 823566067 /nfs/dbraw/zinc/56/60/67/823566067.db2.gz ZHHQDWPIVFLCBV-UHFFFAOYSA-N 1 2 385.733 4.079 20 0 GIADLO COc1ccc(F)cc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031891377 820870210 /nfs/dbraw/zinc/87/02/10/820870210.db2.gz SZEWQBNKPDUKBJ-QGZVFWFLSA-N 1 2 394.849 4.194 20 0 GIADLO COc1cccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000031895903 820872082 /nfs/dbraw/zinc/87/20/82/820872082.db2.gz FMHDUKFMQPCQHX-GOSISDBHSA-N 1 2 376.859 4.055 20 0 GIADLO O=C(Cc1c[nH]c2ccccc12)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031896083 820872450 /nfs/dbraw/zinc/87/24/50/820872450.db2.gz BYBPJWKIZSIALM-FQEVSTJZSA-N 1 2 399.897 4.456 20 0 GIADLO Cc1cc(N2CCN(C(=O)[C@H](C)c3cccc(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000460806894 823517753 /nfs/dbraw/zinc/51/77/53/823517753.db2.gz XYNQLYRHFINBMZ-MRXNPFEDSA-N 1 2 386.927 4.014 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000032511248 820963831 /nfs/dbraw/zinc/96/38/31/820963831.db2.gz FEMPGWFEARBSLK-DLBZAZTESA-N 1 2 395.484 4.449 20 0 GIADLO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000032511248 820963835 /nfs/dbraw/zinc/96/38/35/820963835.db2.gz FEMPGWFEARBSLK-DLBZAZTESA-N 1 2 395.484 4.449 20 0 GIADLO O=C([C@H]1CCSc2ccccc21)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000460814093 823519915 /nfs/dbraw/zinc/51/99/15/823519915.db2.gz FSZOWHNUNPCFKH-AVKJRPAMSA-N 1 2 378.541 4.124 20 0 GIADLO COc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177768106 823523257 /nfs/dbraw/zinc/52/32/57/823523257.db2.gz LDACRFICLZVUOT-FQEVSTJZSA-N 1 2 378.476 4.170 20 0 GIADLO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000033230539 821051864 /nfs/dbraw/zinc/05/18/64/821051864.db2.gz XWAYLQXDWPSMNB-HZPDHXFCSA-N 1 2 399.560 4.270 20 0 GIADLO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000033230539 821051873 /nfs/dbraw/zinc/05/18/73/821051873.db2.gz XWAYLQXDWPSMNB-HZPDHXFCSA-N 1 2 399.560 4.270 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1sccc1C ZINC000060442237 823528194 /nfs/dbraw/zinc/52/81/94/823528194.db2.gz GVPRWGHPUBFYNF-UHFFFAOYSA-N 1 2 383.517 4.384 20 0 GIADLO O=C(CCOc1ccccc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000036099804 821069006 /nfs/dbraw/zinc/06/90/06/821069006.db2.gz SLQMXNZEOSSFGN-LJQANCHMSA-N 1 2 390.886 4.201 20 0 GIADLO Cc1cc(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)nc2ccccc12 ZINC000037109091 821089877 /nfs/dbraw/zinc/08/98/77/821089877.db2.gz VLYPQSKACIHXSE-UHFFFAOYSA-N 1 2 397.569 4.041 20 0 GIADLO C[C@H]1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000123610781 823525601 /nfs/dbraw/zinc/52/56/01/823525601.db2.gz OMBBFNMKAOAHRZ-YJBOKZPZSA-N 1 2 376.460 4.139 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000177790167 823526517 /nfs/dbraw/zinc/52/65/17/823526517.db2.gz QYESQOVGLMLQKN-UHFFFAOYSA-N 1 2 391.500 4.033 20 0 GIADLO O=C(Nc1cc(F)cc(F)c1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000039972953 821124051 /nfs/dbraw/zinc/12/40/51/821124051.db2.gz IENHORCMMMPXCT-UHFFFAOYSA-N 1 2 399.363 4.333 20 0 GIADLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060482928 823533072 /nfs/dbraw/zinc/53/30/72/823533072.db2.gz LFUCVWGRPFUIKW-AWEZNQCLSA-N 1 2 388.870 4.401 20 0 GIADLO O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)N1CCCc2ccccc21 ZINC000060483692 823533333 /nfs/dbraw/zinc/53/33/33/823533333.db2.gz UOQZEGGEDJQYSD-UHFFFAOYSA-N 1 2 396.918 4.214 20 0 GIADLO COCC1(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)CCC1 ZINC000460876842 823534505 /nfs/dbraw/zinc/53/45/05/823534505.db2.gz XUMIKPDQIWELPN-UHFFFAOYSA-N 1 2 386.565 4.162 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1C ZINC000041400604 821188783 /nfs/dbraw/zinc/18/87/83/821188783.db2.gz RXGJWGAEAHDMID-GOSISDBHSA-N 1 2 387.911 4.054 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCSCc2ccc(C)cc2)c1C ZINC000060533586 823539142 /nfs/dbraw/zinc/53/91/42/823539142.db2.gz AFMXXOBDJPCUGO-UHFFFAOYSA-N 1 2 387.549 4.090 20 0 GIADLO CCCCOc1ccc(CCNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000060545377 823540567 /nfs/dbraw/zinc/54/05/67/823540567.db2.gz FIHRLMJZKDUUED-UHFFFAOYSA-N 1 2 399.535 4.270 20 0 GIADLO O=C(NCCCn1cc[nH+]c1)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000042898180 821343451 /nfs/dbraw/zinc/34/34/51/821343451.db2.gz CJSRDJJGEKYOKN-OAQYLSRUSA-N 1 2 394.544 4.302 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2cccc(Cl)c2)C[C@H](C)O1 ZINC000042932755 821346321 /nfs/dbraw/zinc/34/63/21/821346321.db2.gz CFZZMDRAFHCPMN-IYBDPMFKSA-N 1 2 387.911 4.271 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2cccc(Cl)c2)C[C@H](C)O1 ZINC000042932755 821346329 /nfs/dbraw/zinc/34/63/29/821346329.db2.gz CFZZMDRAFHCPMN-IYBDPMFKSA-N 1 2 387.911 4.271 20 0 GIADLO CC[C@H]1c2ccsc2CCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000043077033 821358596 /nfs/dbraw/zinc/35/85/96/821358596.db2.gz WVAWGQUKJTZXIW-KRWDZBQOSA-N 1 2 385.558 4.473 20 0 GIADLO O=C(Nc1ccc(SC(F)F)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000043119053 821364197 /nfs/dbraw/zinc/36/41/97/821364197.db2.gz VLMHRRCDOGTFSY-UHFFFAOYSA-N 1 2 383.489 4.413 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cccc(Br)c1 ZINC000043134346 821365554 /nfs/dbraw/zinc/36/55/54/821365554.db2.gz WHDKLYVRAFGMHC-UHFFFAOYSA-N 1 2 385.265 4.016 20 0 GIADLO CC[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)OCCO2 ZINC000180641784 821379499 /nfs/dbraw/zinc/37/94/99/821379499.db2.gz GHUZTVNRZFURHQ-MRXNPFEDSA-N 1 2 385.851 4.402 20 0 GIADLO CC[C@@H]([NH2+][C@@H](C)c1nc(Cc2ccccc2)no1)c1ccc2c(c1)OCCO2 ZINC000180647219 821380839 /nfs/dbraw/zinc/38/08/39/821380839.db2.gz KUFSTJAJBIWHBR-MAUKXSAKSA-N 1 2 379.460 4.234 20 0 GIADLO COc1ccc(O[C@@H](C)C[NH2+][C@@H](c2nccn2C)c2ccccc2Cl)cc1 ZINC000180649011 821382012 /nfs/dbraw/zinc/38/20/12/821382012.db2.gz DVFCNAXDHAVRFY-MGPUTAFESA-N 1 2 385.895 4.229 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3ccc(F)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000043262923 821382419 /nfs/dbraw/zinc/38/24/19/821382419.db2.gz WRRBGLOWEYBTHZ-UHFFFAOYSA-N 1 2 391.878 4.055 20 0 GIADLO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](c1nccn1C)c1ccccc1Cl ZINC000180657263 821385316 /nfs/dbraw/zinc/38/53/16/821385316.db2.gz SPOFCUGIBZJXPT-UAOJZALGSA-N 1 2 387.886 4.404 20 0 GIADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)ccc1Oc1cccnc1 ZINC000180724829 821419027 /nfs/dbraw/zinc/41/90/27/821419027.db2.gz RKTBTFGEFBZGQR-CTNGQTDRSA-N 1 2 394.471 4.100 20 0 GIADLO Cc1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)ccc1Oc1cccnc1 ZINC000180724829 821419031 /nfs/dbraw/zinc/41/90/31/821419031.db2.gz RKTBTFGEFBZGQR-CTNGQTDRSA-N 1 2 394.471 4.100 20 0 GIADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCSc2ccccc21 ZINC000043499859 821419609 /nfs/dbraw/zinc/41/96/09/821419609.db2.gz KJNDMBLXAZLUHX-MRXNPFEDSA-N 1 2 388.562 4.488 20 0 GIADLO COc1ccccc1CN(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000043546418 821423979 /nfs/dbraw/zinc/42/39/79/821423979.db2.gz LCUOQCYZNASDMB-OAHLLOKOSA-N 1 2 388.537 4.048 20 0 GIADLO COc1ccccc1CN(C)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000043546418 821423986 /nfs/dbraw/zinc/42/39/86/821423986.db2.gz LCUOQCYZNASDMB-OAHLLOKOSA-N 1 2 388.537 4.048 20 0 GIADLO COc1ccc(CN(C)C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000043547455 821424733 /nfs/dbraw/zinc/42/47/33/821424733.db2.gz JBZNUOFYFHGOGF-HNNXBMFYSA-N 1 2 388.537 4.048 20 0 GIADLO COc1ccc(CN(C)C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000043547455 821424735 /nfs/dbraw/zinc/42/47/35/821424735.db2.gz JBZNUOFYFHGOGF-HNNXBMFYSA-N 1 2 388.537 4.048 20 0 GIADLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000180766647 821443261 /nfs/dbraw/zinc/44/32/61/821443261.db2.gz NWYJHLCFHJXEPU-LJQANCHMSA-N 1 2 386.879 4.120 20 0 GIADLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000180766647 821443266 /nfs/dbraw/zinc/44/32/66/821443266.db2.gz NWYJHLCFHJXEPU-LJQANCHMSA-N 1 2 386.879 4.120 20 0 GIADLO FC(F)(F)c1ccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3cccnc3)CCO2)cc1 ZINC000180776287 821449785 /nfs/dbraw/zinc/44/97/85/821449785.db2.gz TXYOZRHJKCHUPT-GOSISDBHSA-N 1 2 388.393 4.064 20 0 GIADLO FC(F)(F)c1ccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccnc3)CCO2)cc1 ZINC000180776287 821449792 /nfs/dbraw/zinc/44/97/92/821449792.db2.gz TXYOZRHJKCHUPT-GOSISDBHSA-N 1 2 388.393 4.064 20 0 GIADLO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180827206 821483103 /nfs/dbraw/zinc/48/31/03/821483103.db2.gz QXWADQLFIYYMKA-ZHRRBRCNSA-N 1 2 394.494 4.423 20 0 GIADLO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000043932433 821490985 /nfs/dbraw/zinc/49/09/85/821490985.db2.gz IKUZJXPUOMPCKG-UHFFFAOYSA-N 1 2 399.454 4.244 20 0 GIADLO COc1ccc(-c2noc(C[NH2+]C(C)(C)c3ccc(F)c(F)c3)n2)c(OC)c1 ZINC000180875990 821507475 /nfs/dbraw/zinc/50/74/75/821507475.db2.gz CCLIWAIDNMDSCT-UHFFFAOYSA-N 1 2 389.402 4.057 20 0 GIADLO FC(F)(F)c1cccc(NC(=S)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000044083188 821519011 /nfs/dbraw/zinc/51/90/11/821519011.db2.gz XBLOGATXAYDFHD-UHFFFAOYSA-N 1 2 380.439 4.056 20 0 GIADLO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000044089780 821521059 /nfs/dbraw/zinc/52/10/59/821521059.db2.gz OTSUXSXKTDMPHJ-LBPRGKRZSA-N 1 2 379.485 4.413 20 0 GIADLO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000044089780 821521065 /nfs/dbraw/zinc/52/10/65/821521065.db2.gz OTSUXSXKTDMPHJ-LBPRGKRZSA-N 1 2 379.485 4.413 20 0 GIADLO Clc1ccc(-n2c(C[NH+]3CCCC3)nnc2SC[C@@H]2CCCCO2)cc1 ZINC000044172735 821539261 /nfs/dbraw/zinc/53/92/61/821539261.db2.gz QSBHKTQBQXXAAR-KRWDZBQOSA-N 1 2 392.956 4.178 20 0 GIADLO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000180960502 821557184 /nfs/dbraw/zinc/55/71/84/821557184.db2.gz NFAYLLQLKPZVDA-UHFFFAOYSA-N 1 2 398.457 4.153 20 0 GIADLO CSc1nccn1-c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000044464216 821587932 /nfs/dbraw/zinc/58/79/32/821587932.db2.gz PYUHZFDPDLBXRD-UHFFFAOYSA-N 1 2 375.457 4.032 20 0 GIADLO CC[C@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccc(OC)cc1 ZINC000181067308 821617076 /nfs/dbraw/zinc/61/70/76/821617076.db2.gz HCXZUHMUYRGUKI-QHCPKHFHSA-N 1 2 395.547 4.040 20 0 GIADLO CCc1ccccc1N(C(C)=O)c1nc(CN(C)CCCn2cc[nH+]c2)cs1 ZINC000181083343 821624660 /nfs/dbraw/zinc/62/46/60/821624660.db2.gz HGVFXOUJVZOJBJ-UHFFFAOYSA-N 1 2 397.548 4.109 20 0 GIADLO CCCC(=O)Nc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(C(C)=O)c1 ZINC000181132033 821652718 /nfs/dbraw/zinc/65/27/18/821652718.db2.gz VELQLNYPSIUKMD-UHFFFAOYSA-N 1 2 391.427 4.033 20 0 GIADLO CC[C@@H](C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccc(OC)cc1 ZINC000181147461 821663514 /nfs/dbraw/zinc/66/35/14/821663514.db2.gz NAYMULLUUUNQEY-JOCHJYFZSA-N 1 2 395.547 4.349 20 0 GIADLO CCOc1ccc(-c2noc(C[N@H+](C)Cc3ccc(OC(F)F)cc3)n2)cc1 ZINC000044871030 821674183 /nfs/dbraw/zinc/67/41/83/821674183.db2.gz AVIQQGNVWLIPMQ-UHFFFAOYSA-N 1 2 389.402 4.369 20 0 GIADLO CCOc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(OC(F)F)cc3)n2)cc1 ZINC000044871030 821674187 /nfs/dbraw/zinc/67/41/87/821674187.db2.gz AVIQQGNVWLIPMQ-UHFFFAOYSA-N 1 2 389.402 4.369 20 0 GIADLO CCc1noc([C@H](C)Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000044871502 821675045 /nfs/dbraw/zinc/67/50/45/821675045.db2.gz RYUIFVFWJWPZHE-HNNXBMFYSA-N 1 2 398.536 4.052 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Oc2ccccc2)nc1 ZINC000045014747 821691076 /nfs/dbraw/zinc/69/10/76/821691076.db2.gz LFJTZVRFKGPQIN-UHFFFAOYSA-N 1 2 384.439 4.049 20 0 GIADLO COc1cc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2Cl)ccc1S(C)(=O)=O ZINC000181212984 821700237 /nfs/dbraw/zinc/70/02/37/821700237.db2.gz WIAZDKXJBWRYLY-VXGBXAGGSA-N 1 2 385.888 4.303 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000181237148 821713066 /nfs/dbraw/zinc/71/30/66/821713066.db2.gz MALIBMNEQRUPMK-KRWDZBQOSA-N 1 2 388.899 4.140 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)c1ccc(N2CCOC2=O)cc1 ZINC000181266052 821724468 /nfs/dbraw/zinc/72/44/68/821724468.db2.gz LMZJGYKUZLFOCG-CABCVRRESA-N 1 2 378.432 4.105 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000181308285 821747213 /nfs/dbraw/zinc/74/72/13/821747213.db2.gz FANUPQNVUYKJQV-STQMWFEESA-N 1 2 392.429 4.055 20 0 GIADLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cc1NC(C)=O ZINC000181312670 821751326 /nfs/dbraw/zinc/75/13/26/821751326.db2.gz RSKIIDMRTVECBY-ZDUSSCGKSA-N 1 2 382.489 4.023 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)o2)cc1 ZINC000181320744 821757485 /nfs/dbraw/zinc/75/74/85/821757485.db2.gz ZTFXWFMKZMCERI-HOTGVXAUSA-N 1 2 392.459 4.413 20 0 GIADLO COc1cc(OC)c([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1Cl ZINC000181337156 821768273 /nfs/dbraw/zinc/76/82/73/821768273.db2.gz AOCZENFJJCRJBV-KBPBESRZSA-N 1 2 386.883 4.350 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccs2)no1)c1ccc(N2CCCC2=O)cc1 ZINC000181376160 821794494 /nfs/dbraw/zinc/79/44/94/821794494.db2.gz VPUVKIYLGLVVAN-KGLIPLIRSA-N 1 2 382.489 4.337 20 0 GIADLO Cc1nnc(C[NH2+][C@H](COc2c(C)cccc2C)c2ccccc2)n1C1CC1 ZINC000181380159 821795918 /nfs/dbraw/zinc/79/59/18/821795918.db2.gz QDUPGBCBZAVCON-OAQYLSRUSA-N 1 2 376.504 4.448 20 0 GIADLO CCOc1ccc([C@@H](C)[NH2+]Cc2nc3oc(C)c(C)c3c(N)n2)cc1OCC ZINC000181385589 821799373 /nfs/dbraw/zinc/79/93/73/821799373.db2.gz AJOHGYVMFUBOTF-CYBMUJFWSA-N 1 2 384.480 4.070 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)co2)cc1 ZINC000181423320 821818833 /nfs/dbraw/zinc/81/88/33/821818833.db2.gz PVKLCUCJFRDWKC-INIZCTEOSA-N 1 2 391.471 4.328 20 0 GIADLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cc(C2CC2)on1 ZINC000181493690 821852398 /nfs/dbraw/zinc/85/23/98/821852398.db2.gz UUAGWYWVYMMDQG-UHFFFAOYSA-N 1 2 394.302 4.253 20 0 GIADLO Brc1ccc(-c2nnc(C[NH2+]Cc3cccc4cnccc43)[nH]2)cc1 ZINC000181537558 821872394 /nfs/dbraw/zinc/87/23/94/821872394.db2.gz TYNAEEKJPAGMJA-UHFFFAOYSA-N 1 2 394.276 4.072 20 0 GIADLO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3cc4cccc(OC)c4o3)n2)cc1 ZINC000181694625 821947178 /nfs/dbraw/zinc/94/71/78/821947178.db2.gz BQKOVJQROAIWLR-OAHLLOKOSA-N 1 2 377.444 4.487 20 0 GIADLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(C)cc1 ZINC000181706837 821952480 /nfs/dbraw/zinc/95/24/80/821952480.db2.gz MSFPAQMUCARVDG-IRXDYDNUSA-N 1 2 379.273 4.164 20 0 GIADLO CS(=O)(=O)C[C@H]([NH2+]Cc1sc2ccccc2c1Cl)c1ccccc1 ZINC000181788125 821992725 /nfs/dbraw/zinc/99/27/25/821992725.db2.gz XCPSCLPNRFTVSZ-HNNXBMFYSA-N 1 2 379.934 4.430 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@H](C)c3cccc(N4CCCC4)c3)no2)cc1 ZINC000181854163 822017516 /nfs/dbraw/zinc/01/75/16/822017516.db2.gz WZVJBJUQXKNHHE-MRXNPFEDSA-N 1 2 378.476 4.196 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000181976670 822050984 /nfs/dbraw/zinc/05/09/84/822050984.db2.gz KNGYPPLDLOYTFI-QHCPKHFHSA-N 1 2 393.487 4.227 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)Cc3ccc(Br)cc3C)[nH+]c12 ZINC000182079771 822084978 /nfs/dbraw/zinc/08/49/78/822084978.db2.gz MAVYPETXSBJNQS-QFIPXVFZSA-N 1 2 377.307 4.163 20 0 GIADLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2Cl)o1)c1ccc(S(C)(=O)=O)cc1 ZINC000182187844 822138866 /nfs/dbraw/zinc/13/88/66/822138866.db2.gz UOJSTTVBTNLDHA-ZDUSSCGKSA-N 1 2 390.892 4.249 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc2c(c1)OCO2 ZINC000182276744 822183241 /nfs/dbraw/zinc/18/32/41/822183241.db2.gz SOAOPLRHUDZJLY-NSHDSACASA-N 1 2 391.349 4.335 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182465629 822254075 /nfs/dbraw/zinc/25/40/75/822254075.db2.gz ZXSIFZSXLXPEQN-AWEZNQCLSA-N 1 2 375.398 4.149 20 0 GIADLO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000182505077 822272138 /nfs/dbraw/zinc/27/21/38/822272138.db2.gz SZMRTCOSUMNSQD-VQIMIIECSA-N 1 2 388.920 4.224 20 0 GIADLO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000182530161 822285060 /nfs/dbraw/zinc/28/50/60/822285060.db2.gz XPBUMVFYYSXDGX-UHFFFAOYSA-N 1 2 399.709 4.288 20 0 GIADLO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182545338 822294143 /nfs/dbraw/zinc/29/41/43/822294143.db2.gz CSBZPRYBOLVXAQ-MAUKXSAKSA-N 1 2 378.501 4.168 20 0 GIADLO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182545338 822294152 /nfs/dbraw/zinc/29/41/52/822294152.db2.gz CSBZPRYBOLVXAQ-MAUKXSAKSA-N 1 2 378.501 4.168 20 0 GIADLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2nc3sc(C)c(C)c3c(N)n2)c1 ZINC000182556805 822300976 /nfs/dbraw/zinc/30/09/76/822300976.db2.gz YMFTWNFMQIEVAU-VXGBXAGGSA-N 1 2 383.521 4.261 20 0 GIADLO C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182561138 822303074 /nfs/dbraw/zinc/30/30/74/822303074.db2.gz OPHBAOLROXREHD-OAHLLOKOSA-N 1 2 388.427 4.433 20 0 GIADLO CC[C@@H]([NH2+]Cc1csc(N(CCOC)C(C)=O)n1)c1cccc(Cl)c1 ZINC000182592876 822315063 /nfs/dbraw/zinc/31/50/63/822315063.db2.gz HIBHAJRPHVHUDC-QGZVFWFLSA-N 1 2 381.929 4.037 20 0 GIADLO CCOc1cccc2cc([C@H](C)NC(=O)NCCCNc3cccc[nH+]3)oc21 ZINC000045132778 822364982 /nfs/dbraw/zinc/36/49/82/822364982.db2.gz HBVNSZJZTFSJBZ-HNNXBMFYSA-N 1 2 382.464 4.089 20 0 GIADLO CCOc1cccc([C@@H](C)[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)c1 ZINC000178327202 822367661 /nfs/dbraw/zinc/36/76/61/822367661.db2.gz ADVQIVLIDWCEQU-MRXNPFEDSA-N 1 2 395.528 4.323 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3nc(-c4cccnc4)n(C)c3=S)C2)c1 ZINC000182794177 822368339 /nfs/dbraw/zinc/36/83/39/822368339.db2.gz MZAGOZMHPOJSCI-SFHVURJKSA-N 1 2 379.533 4.077 20 0 GIADLO Cc1cc(C)cc([C@H]2CC[N@H+](Cn3nc(-c4cccnc4)n(C)c3=S)C2)c1 ZINC000182794177 822368341 /nfs/dbraw/zinc/36/83/41/822368341.db2.gz MZAGOZMHPOJSCI-SFHVURJKSA-N 1 2 379.533 4.077 20 0 GIADLO Cc1c2cc(Br)ccc2oc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178352178 822370496 /nfs/dbraw/zinc/37/04/96/822370496.db2.gz UTONOGQGHWJNSR-UHFFFAOYSA-N 1 2 384.233 4.081 20 0 GIADLO COc1ccc(-c2cc(C(=O)NCc3ccn4cc[nH+]c4c3)sc2C)cc1 ZINC000178368436 822371975 /nfs/dbraw/zinc/37/19/75/822371975.db2.gz IVJDDTVWUYBWLA-UHFFFAOYSA-N 1 2 377.469 4.310 20 0 GIADLO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1cc(Cl)cc2cccnc21)c1ccccc1 ZINC000178371230 822372153 /nfs/dbraw/zinc/37/21/53/822372153.db2.gz VXUBEJNUBYTUIP-RTWAWAEBSA-N 1 2 382.891 4.213 20 0 GIADLO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1cc(Cl)cc2cccnc21)c1ccccc1 ZINC000178371230 822372155 /nfs/dbraw/zinc/37/21/55/822372155.db2.gz VXUBEJNUBYTUIP-RTWAWAEBSA-N 1 2 382.891 4.213 20 0 GIADLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182828786 822374405 /nfs/dbraw/zinc/37/44/05/822374405.db2.gz DYKQAULZGYTPJE-QGZVFWFLSA-N 1 2 395.425 4.340 20 0 GIADLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182828786 822374411 /nfs/dbraw/zinc/37/44/11/822374411.db2.gz DYKQAULZGYTPJE-QGZVFWFLSA-N 1 2 395.425 4.340 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2sccc2C)cc1 ZINC000045294210 822376634 /nfs/dbraw/zinc/37/66/34/822376634.db2.gz CESDYQCCUUZJDU-UHFFFAOYSA-N 1 2 383.517 4.384 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Cc2cccc(F)c2)cc1 ZINC000045294149 822376743 /nfs/dbraw/zinc/37/67/43/822376743.db2.gz GNIMQXXFYUEYCZ-UHFFFAOYSA-N 1 2 395.478 4.083 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC2(c3ccccc3)CC2)C[C@H](C)O1 ZINC000045377117 822382042 /nfs/dbraw/zinc/38/20/42/822382042.db2.gz WSONEODCTXECGP-KDURUIRLSA-N 1 2 393.531 4.149 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC2(c3ccccc3)CC2)C[C@H](C)O1 ZINC000045377117 822382047 /nfs/dbraw/zinc/38/20/47/822382047.db2.gz WSONEODCTXECGP-KDURUIRLSA-N 1 2 393.531 4.149 20 0 GIADLO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)o1 ZINC000453577544 822387054 /nfs/dbraw/zinc/38/70/54/822387054.db2.gz SHKVOEUWPXALAG-HNNXBMFYSA-N 1 2 399.491 4.197 20 0 GIADLO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)o1 ZINC000453577544 822387055 /nfs/dbraw/zinc/38/70/55/822387055.db2.gz SHKVOEUWPXALAG-HNNXBMFYSA-N 1 2 399.491 4.197 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N(Cc1ccco1)Cc1ccccc1 ZINC000045491338 822390541 /nfs/dbraw/zinc/39/05/41/822390541.db2.gz VKPNKKAPIIPVQW-UHFFFAOYSA-N 1 2 390.487 4.187 20 0 GIADLO Cc1c([C@H](C)Nc2ccc(-n3cc[nH+]c3)c(F)c2)nnn1-c1ccc(F)cc1 ZINC000182910497 822391189 /nfs/dbraw/zinc/39/11/89/822391189.db2.gz YPNWPNHJTIZRCW-ZDUSSCGKSA-N 1 2 380.402 4.213 20 0 GIADLO COCCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)c1 ZINC000453611598 822392777 /nfs/dbraw/zinc/39/27/77/822392777.db2.gz KXAZUSUUEFHNDK-LJQANCHMSA-N 1 2 391.309 4.206 20 0 GIADLO COCCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)c1 ZINC000453611598 822392780 /nfs/dbraw/zinc/39/27/80/822392780.db2.gz KXAZUSUUEFHNDK-LJQANCHMSA-N 1 2 391.309 4.206 20 0 GIADLO FC(F)(F)CN1Cc2ccc(NC3CCN(c4cccc[nH+]4)CC3)cc2C1 ZINC000453612092 822393060 /nfs/dbraw/zinc/39/30/60/822393060.db2.gz LRGSSBMUBNRVPA-UHFFFAOYSA-N 1 2 376.426 4.040 20 0 GIADLO CC(C)c1ccc(CN(C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000045606196 822399567 /nfs/dbraw/zinc/39/95/67/822399567.db2.gz OTPRQWWGQXWVOF-UHFFFAOYSA-N 1 2 376.504 4.396 20 0 GIADLO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000178693599 822403454 /nfs/dbraw/zinc/40/34/54/822403454.db2.gz TWYFBXUXLSTRJG-INIZCTEOSA-N 1 2 383.521 4.108 20 0 GIADLO Cc1cc(C)cc(OCc2noc(C[NH+]3CCC(OCCC(C)C)CC3)n2)c1 ZINC000178712468 822404903 /nfs/dbraw/zinc/40/49/03/822404903.db2.gz UGWVUXNEZJAUJD-UHFFFAOYSA-N 1 2 387.524 4.293 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2cccc(-c3ccccn3)c2)c1C ZINC000178775599 822408886 /nfs/dbraw/zinc/40/88/86/822408886.db2.gz LNSDQLRJOBDCCF-UHFFFAOYSA-N 1 2 390.487 4.111 20 0 GIADLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000045730848 822408879 /nfs/dbraw/zinc/40/88/79/822408879.db2.gz CZQZQYUEQSBWOF-AWEZNQCLSA-N 1 2 389.377 4.321 20 0 GIADLO O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000178778049 822408969 /nfs/dbraw/zinc/40/89/69/822408969.db2.gz PYEPZKBAUHAVHK-AZUAARDMSA-N 1 2 379.891 4.199 20 0 GIADLO C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C2CC2)o1 ZINC000045736491 822409551 /nfs/dbraw/zinc/40/95/51/822409551.db2.gz VMBIKNPYQYMRFA-HRAATJIYSA-N 1 2 375.472 4.453 20 0 GIADLO COc1cc([C@@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1OC(C)C ZINC000045735259 822409574 /nfs/dbraw/zinc/40/95/74/822409574.db2.gz QFPCZTBDLFYSTE-QGZVFWFLSA-N 1 2 393.487 4.218 20 0 GIADLO CCOc1cc(C[N@H+](C)Cc2cn3cc(C)ccc3n2)ccc1OC(F)F ZINC000045943895 822426003 /nfs/dbraw/zinc/42/60/03/822426003.db2.gz IKMASYDUMIQTCN-UHFFFAOYSA-N 1 2 375.419 4.275 20 0 GIADLO CCOc1cc(C[N@@H+](C)Cc2cn3cc(C)ccc3n2)ccc1OC(F)F ZINC000045943895 822426004 /nfs/dbraw/zinc/42/60/04/822426004.db2.gz IKMASYDUMIQTCN-UHFFFAOYSA-N 1 2 375.419 4.275 20 0 GIADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000183115679 822426486 /nfs/dbraw/zinc/42/64/86/822426486.db2.gz NQXMDEBFMCXCKQ-BCHFMIIMSA-N 1 2 387.936 4.044 20 0 GIADLO COc1cccc(-c2nc(C[NH2+][C@H](C[S@@](C)=O)c3ccccc3)cs2)c1 ZINC000183117651 822426632 /nfs/dbraw/zinc/42/66/32/822426632.db2.gz SHWHGAQUNDIVHK-NIYFSFCBSA-N 1 2 386.542 4.028 20 0 GIADLO CCC(CC)n1nc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000183163201 822433642 /nfs/dbraw/zinc/43/36/42/822433642.db2.gz LDYSBQAGAKVQOA-ROUUACIJSA-N 1 2 398.551 4.414 20 0 GIADLO CC(C)Oc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000046007040 822433790 /nfs/dbraw/zinc/43/37/90/822433790.db2.gz MALVFCDXOFNHHC-UHFFFAOYSA-N 1 2 388.899 4.313 20 0 GIADLO O=C(Nc1ncc(Cc2ccccc2F)s1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000046026909 822436179 /nfs/dbraw/zinc/43/61/79/822436179.db2.gz QWFQZCZWZYIATN-UHFFFAOYSA-N 1 2 392.459 4.370 20 0 GIADLO CC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)cc2)cc1 ZINC000179103214 822438379 /nfs/dbraw/zinc/43/83/79/822438379.db2.gz WXWCUCAKBFDMRX-UHFFFAOYSA-N 1 2 385.423 4.259 20 0 GIADLO CC(C)(C)O[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000179126249 822441126 /nfs/dbraw/zinc/44/11/26/822441126.db2.gz QVFHFDJHJCGILN-OAQYLSRUSA-N 1 2 377.488 4.104 20 0 GIADLO CN(Cc1c(F)cccc1F)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000454241764 822442551 /nfs/dbraw/zinc/44/25/51/822442551.db2.gz FTGLGYGLQCUCQP-UHFFFAOYSA-N 1 2 380.464 4.071 20 0 GIADLO CCCn1ncc(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1C1CC1 ZINC000454266030 822446276 /nfs/dbraw/zinc/44/62/76/822446276.db2.gz IAZRRURLHSKQCO-UHFFFAOYSA-N 1 2 388.541 4.257 20 0 GIADLO COc1cc(CNC(=O)NCc2c[nH+]c(C)cc2C)ccc1OC1CCCC1 ZINC000454281670 822450116 /nfs/dbraw/zinc/45/01/16/822450116.db2.gz PMKGSHSHIQBHKM-UHFFFAOYSA-N 1 2 383.492 4.028 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)n2)C1 ZINC000454285159 822451207 /nfs/dbraw/zinc/45/12/07/822451207.db2.gz ZVCABQLMMFOTTI-YNKVZBMKSA-N 1 2 386.565 4.051 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)n2)C1 ZINC000454285159 822451209 /nfs/dbraw/zinc/45/12/09/822451209.db2.gz ZVCABQLMMFOTTI-YNKVZBMKSA-N 1 2 386.565 4.051 20 0 GIADLO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ncc(Br)s2)cc1 ZINC000179215951 822452547 /nfs/dbraw/zinc/45/25/47/822452547.db2.gz NHHUOZFZWBHTFG-LBPRGKRZSA-N 1 2 396.354 4.286 20 0 GIADLO C[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ncc(Br)s1 ZINC000179223247 822453590 /nfs/dbraw/zinc/45/35/90/822453590.db2.gz GVLVJHNNEVCXJT-ZANVPECISA-N 1 2 395.244 4.006 20 0 GIADLO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)CCC2 ZINC000179229721 822454185 /nfs/dbraw/zinc/45/41/85/822454185.db2.gz ZRGPDZKYONKVPS-QZTJIDSGSA-N 1 2 391.284 4.090 20 0 GIADLO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000179238466 822455869 /nfs/dbraw/zinc/45/58/69/822455869.db2.gz GZFVEBRQMXNGDN-ZDUSSCGKSA-N 1 2 399.354 4.480 20 0 GIADLO COc1cc2c(cc1C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)O[C@@H](C)C2 ZINC000183337492 822460597 /nfs/dbraw/zinc/46/05/97/822460597.db2.gz FQKGEFQPVMDLTM-NPMXOYFQSA-N 1 2 378.447 4.432 20 0 GIADLO CCOc1ccccc1NC(=O)[C@@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccccc1 ZINC000183337854 822460693 /nfs/dbraw/zinc/46/06/93/822460693.db2.gz UJMNNXSVOMGKPM-ZHRRBRCNSA-N 1 2 392.503 4.158 20 0 GIADLO Cc1cccc(CSCC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046340950 822462941 /nfs/dbraw/zinc/46/29/41/822462941.db2.gz VWACFSNOZKINED-KDURUIRLSA-N 1 2 398.572 4.476 20 0 GIADLO Cc1cccc(CSCC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046340950 822462942 /nfs/dbraw/zinc/46/29/42/822462942.db2.gz VWACFSNOZKINED-KDURUIRLSA-N 1 2 398.572 4.476 20 0 GIADLO Cc1ccc(OCCC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000046343508 822463602 /nfs/dbraw/zinc/46/36/02/822463602.db2.gz QPKCBGYCVLGIFM-BGYRXZFFSA-N 1 2 396.531 4.320 20 0 GIADLO Cc1ccc(OCCC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000046343508 822463603 /nfs/dbraw/zinc/46/36/03/822463603.db2.gz QPKCBGYCVLGIFM-BGYRXZFFSA-N 1 2 396.531 4.320 20 0 GIADLO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000046344363 822463890 /nfs/dbraw/zinc/46/38/90/822463890.db2.gz DUMRFYDQMPKZIH-YLJYHZDGSA-N 1 2 396.512 4.076 20 0 GIADLO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000046344363 822463892 /nfs/dbraw/zinc/46/38/92/822463892.db2.gz DUMRFYDQMPKZIH-YLJYHZDGSA-N 1 2 396.512 4.076 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454377499 822465206 /nfs/dbraw/zinc/46/52/06/822465206.db2.gz IJAPPOROQZQSNO-IBGZPJMESA-N 1 2 380.423 4.041 20 0 GIADLO CC(C)CCOC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000179332279 822467138 /nfs/dbraw/zinc/46/71/38/822467138.db2.gz PTQOXNUPEHEGKY-UHFFFAOYSA-N 1 2 380.330 4.124 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000046467406 822475678 /nfs/dbraw/zinc/47/56/78/822475678.db2.gz WWXFFTGGOSVODC-OAHLLOKOSA-N 1 2 384.402 4.061 20 0 GIADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000046468752 822475887 /nfs/dbraw/zinc/47/58/87/822475887.db2.gz NBDVXPOAHFCLEQ-FQEVSTJZSA-N 1 2 393.491 4.094 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046469543 822476131 /nfs/dbraw/zinc/47/61/31/822476131.db2.gz JUHQZVXYMQSOOJ-OAHLLOKOSA-N 1 2 379.302 4.190 20 0 GIADLO O=C(NC1CC1)c1ccc(C[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C2CC2)cc1 ZINC000179418485 822479712 /nfs/dbraw/zinc/47/97/12/822479712.db2.gz NSUWRJOKJQEEKJ-UHFFFAOYSA-N 1 2 386.499 4.134 20 0 GIADLO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C2CC2)cc1 ZINC000179418485 822479714 /nfs/dbraw/zinc/47/97/14/822479714.db2.gz NSUWRJOKJQEEKJ-UHFFFAOYSA-N 1 2 386.499 4.134 20 0 GIADLO CC(C)[C@H]1CN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)[C@H]1C(C)C ZINC000454521402 822490556 /nfs/dbraw/zinc/49/05/56/822490556.db2.gz YMXMEGSJHCXHTB-DBQGFPOUSA-N 1 2 387.568 4.440 20 0 GIADLO Cc1cc([C@H]2C[N@H+](Cc3ccc(OCc4nccn4C)cc3)CCO2)ccc1F ZINC000179513913 822494304 /nfs/dbraw/zinc/49/43/04/822494304.db2.gz DFKNPYPAUSNRKS-JOCHJYFZSA-N 1 2 395.478 4.020 20 0 GIADLO Cc1cc([C@H]2C[N@@H+](Cc3ccc(OCc4nccn4C)cc3)CCO2)ccc1F ZINC000179513913 822494307 /nfs/dbraw/zinc/49/43/07/822494307.db2.gz DFKNPYPAUSNRKS-JOCHJYFZSA-N 1 2 395.478 4.020 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2OCc2ccccn2)cc1 ZINC000179532957 822498516 /nfs/dbraw/zinc/49/85/16/822498516.db2.gz OYOIENFVSXCYFS-UHFFFAOYSA-N 1 2 375.472 4.040 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2OCc2ccccn2)cc1 ZINC000179532957 822498520 /nfs/dbraw/zinc/49/85/20/822498520.db2.gz OYOIENFVSXCYFS-UHFFFAOYSA-N 1 2 375.472 4.040 20 0 GIADLO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179591302 822508456 /nfs/dbraw/zinc/50/84/56/822508456.db2.gz IURQRRSLHZLDSF-UHFFFAOYSA-N 1 2 394.906 4.078 20 0 GIADLO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179591302 822508460 /nfs/dbraw/zinc/50/84/60/822508460.db2.gz IURQRRSLHZLDSF-UHFFFAOYSA-N 1 2 394.906 4.078 20 0 GIADLO COc1ccccc1-c1nnc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)o1 ZINC000179606398 822511547 /nfs/dbraw/zinc/51/15/47/822511547.db2.gz MCDIUPBOOZYNLL-LBPRGKRZSA-N 1 2 375.375 4.197 20 0 GIADLO COCCN(C(C)=O)c1nc(C[NH2+][C@@H](c2ccccc2Cl)C(C)C)cs1 ZINC000183697182 822513185 /nfs/dbraw/zinc/51/31/85/822513185.db2.gz OTNMNNRQXZGPHZ-GOSISDBHSA-N 1 2 395.956 4.283 20 0 GIADLO Cc1nc(C(=O)OCCOCCCc2cccc(C)[nH+]2)c(-c2ccccc2)o1 ZINC000183701308 822513820 /nfs/dbraw/zinc/51/38/20/822513820.db2.gz XXAQCEHUDLNXCP-UHFFFAOYSA-N 1 2 380.444 4.160 20 0 GIADLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nnc(Cc3ccccc3C)o2)cc1OC ZINC000179620876 822514392 /nfs/dbraw/zinc/51/43/92/822514392.db2.gz KGVCQTZHSBWBCY-MRXNPFEDSA-N 1 2 381.476 4.145 20 0 GIADLO O[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183715246 822515774 /nfs/dbraw/zinc/51/57/74/822515774.db2.gz QEABQJZNHAHBAL-DFQSSKMNSA-N 1 2 384.273 4.379 20 0 GIADLO COc1cc(C)c([C@H](C)[NH2+]Cc2nc(CCc3ccccc3)no2)cc1OC ZINC000179636513 822517285 /nfs/dbraw/zinc/51/72/85/822517285.db2.gz XQZUXFMBEHVKJM-INIZCTEOSA-N 1 2 381.476 4.031 20 0 GIADLO Cc1cccc([C@H](C)[NH2+]Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c1C ZINC000183728033 822517712 /nfs/dbraw/zinc/51/77/12/822517712.db2.gz SNWHCQVCAHZDKD-HNNXBMFYSA-N 1 2 388.512 4.297 20 0 GIADLO COc1cc(Br)c(C[NH2+]Cc2ncc(C(C)C)s2)cc1OC ZINC000183736029 822519082 /nfs/dbraw/zinc/51/90/82/822519082.db2.gz BSMRXAYSNWMIAV-UHFFFAOYSA-N 1 2 385.327 4.336 20 0 GIADLO COc1ccc(C[NH2+]C2(c3ccccc3F)CC2)c(Br)c1OC ZINC000179647681 822519326 /nfs/dbraw/zinc/51/93/26/822519326.db2.gz LHAOZQNEKGIQLK-UHFFFAOYSA-N 1 2 380.257 4.384 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)c3cc(-c4ccccc4)no3)n2)CC1 ZINC000046812334 822520299 /nfs/dbraw/zinc/52/02/99/822520299.db2.gz KOYLOSPCOGRTJS-UHFFFAOYSA-N 1 2 382.489 4.282 20 0 GIADLO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccnn1CC ZINC000179652869 822520609 /nfs/dbraw/zinc/52/06/09/822520609.db2.gz LOBMGNQUWQGVGW-CQSZACIVSA-N 1 2 382.430 4.161 20 0 GIADLO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccnn1CC ZINC000179652869 822520611 /nfs/dbraw/zinc/52/06/11/822520611.db2.gz LOBMGNQUWQGVGW-CQSZACIVSA-N 1 2 382.430 4.161 20 0 GIADLO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)c1nnc2ccccn21 ZINC000046836285 822522533 /nfs/dbraw/zinc/52/25/33/822522533.db2.gz MDVOAINEZJDWFJ-HNNXBMFYSA-N 1 2 393.878 4.208 20 0 GIADLO COCc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000179681691 822526351 /nfs/dbraw/zinc/52/63/51/822526351.db2.gz DORNDTXTEIKZBJ-MOPGFXCFSA-N 1 2 391.874 4.192 20 0 GIADLO COCc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000179681691 822526354 /nfs/dbraw/zinc/52/63/54/822526354.db2.gz DORNDTXTEIKZBJ-MOPGFXCFSA-N 1 2 391.874 4.192 20 0 GIADLO C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(OCc2ccccn2)c1 ZINC000179689179 822528105 /nfs/dbraw/zinc/52/81/05/822528105.db2.gz HRFLINOYULFJPW-HNNXBMFYSA-N 1 2 376.416 4.154 20 0 GIADLO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000179706989 822531943 /nfs/dbraw/zinc/53/19/43/822531943.db2.gz VYYROUZIFGXVEH-SFHVURJKSA-N 1 2 384.480 4.366 20 0 GIADLO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000179706989 822531947 /nfs/dbraw/zinc/53/19/47/822531947.db2.gz VYYROUZIFGXVEH-SFHVURJKSA-N 1 2 384.480 4.366 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000046944357 822533275 /nfs/dbraw/zinc/53/32/75/822533275.db2.gz YTIVPIORHVYVSC-INIZCTEOSA-N 1 2 381.505 4.040 20 0 GIADLO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](c1cccc(F)c1)c1ccccn1 ZINC000183829229 822533339 /nfs/dbraw/zinc/53/33/39/822533339.db2.gz BLFJBPLDMUMUMA-WAIKUNEKSA-N 1 2 394.446 4.213 20 0 GIADLO OC[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1cccc(Br)c1 ZINC000183878530 822539649 /nfs/dbraw/zinc/53/96/49/822539649.db2.gz UQUGXZOPRDFFAI-KRWDZBQOSA-N 1 2 391.240 4.066 20 0 GIADLO Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000183904307 822543663 /nfs/dbraw/zinc/54/36/63/822543663.db2.gz CGGVHAYPMPLNDD-ICSRJNTNSA-N 1 2 381.520 4.290 20 0 GIADLO CCc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(NC(=O)C4CC4)cc3)n2)cc1 ZINC000179763690 822546927 /nfs/dbraw/zinc/54/69/27/822546927.db2.gz FUJXTRDYKNZDEG-HNNXBMFYSA-N 1 2 390.487 4.498 20 0 GIADLO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179766283 822547681 /nfs/dbraw/zinc/54/76/81/822547681.db2.gz FLKSRUXDKPBMJT-UHFFFAOYSA-N 1 2 395.286 4.255 20 0 GIADLO CC(C)[C@@H]([NH2+]Cc1ccc(I)cc1)c1nc(C2CC2)no1 ZINC000179804724 822556424 /nfs/dbraw/zinc/55/64/24/822556424.db2.gz LVUVIJSOMBGTHT-CQSZACIVSA-N 1 2 397.260 4.039 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(OCCF)c2)CC1 ZINC000183979506 822557337 /nfs/dbraw/zinc/55/73/37/822557337.db2.gz HDVXWOZGPDOLLH-HNNXBMFYSA-N 1 2 377.485 4.007 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C(F)(F)F)nc2)CC1 ZINC000184036211 822568633 /nfs/dbraw/zinc/56/86/33/822568633.db2.gz BQGSGJRASJDQNP-GFCCVEGCSA-N 1 2 384.427 4.073 20 0 GIADLO CC(C)[C@@H](CO)[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)C ZINC000455016371 822571626 /nfs/dbraw/zinc/57/16/26/822571626.db2.gz AHJBKHKPWFZCQZ-KNQAVFIVSA-N 1 2 396.535 4.012 20 0 GIADLO C[C@@H](c1ccccc1F)N(C)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000047377832 822572763 /nfs/dbraw/zinc/57/27/63/822572763.db2.gz ANPRQCAWGFYWIV-GJZGRUSLSA-N 1 2 390.528 4.161 20 0 GIADLO C[C@@H](c1ccccc1F)N(C)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000047377832 822572764 /nfs/dbraw/zinc/57/27/64/822572764.db2.gz ANPRQCAWGFYWIV-GJZGRUSLSA-N 1 2 390.528 4.161 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000047394435 822574330 /nfs/dbraw/zinc/57/43/30/822574330.db2.gz GREOMYNXNLYBOR-LJQANCHMSA-N 1 2 392.507 4.183 20 0 GIADLO O=C(c1ccccc1Cl)N1CCC(Nc2ccc(N3CCCCC3)c[nH+]2)CC1 ZINC000179919927 822577274 /nfs/dbraw/zinc/57/72/74/822577274.db2.gz VCDLRKBMPQBBAH-UHFFFAOYSA-N 1 2 398.938 4.442 20 0 GIADLO COCCC[C@@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1ccc(Cl)cc1 ZINC000455053719 822581313 /nfs/dbraw/zinc/58/13/13/822581313.db2.gz VNFYFDNEWJRBIM-SFHVURJKSA-N 1 2 389.927 4.361 20 0 GIADLO C[C@H]1COCCN1c1ccc([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000179943296 822582255 /nfs/dbraw/zinc/58/22/55/822582255.db2.gz YACNHUBMTKNGLN-NEXFNOGPSA-N 1 2 391.515 4.156 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000184142274 822584922 /nfs/dbraw/zinc/58/49/22/822584922.db2.gz AXRXHLVIOLBRFF-VIFPVBQESA-N 1 2 377.819 4.413 20 0 GIADLO CCC(CC)n1nc(C)cc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000179959817 822585840 /nfs/dbraw/zinc/58/58/40/822585840.db2.gz RRFCFXAQDBUCRA-UHFFFAOYSA-N 1 2 381.480 4.080 20 0 GIADLO Cc1c([C@@H](C)[NH2+][C@@H]2CCCOc3cc(F)ccc32)nnn1-c1ccc(F)cc1 ZINC000179963134 822586488 /nfs/dbraw/zinc/58/64/88/822586488.db2.gz BSYVRNUUNNIWHD-BFUOFWGJSA-N 1 2 384.430 4.418 20 0 GIADLO CCNC(=O)N1CCc2ccc(N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)cc21 ZINC000179969034 822587516 /nfs/dbraw/zinc/58/75/16/822587516.db2.gz JNTQIQPXVSDDFC-INIZCTEOSA-N 1 2 375.476 4.137 20 0 GIADLO Cn1cc([C@@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)c2cccc(F)c2)cn1 ZINC000179980004 822589729 /nfs/dbraw/zinc/58/97/29/822589729.db2.gz HROWFEAYTWSDKA-UNMCSNQZSA-N 1 2 382.483 4.058 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)n1 ZINC000184184956 822592506 /nfs/dbraw/zinc/59/25/06/822592506.db2.gz WMPJYCKKUBIYFV-ZDUSSCGKSA-N 1 2 398.557 4.123 20 0 GIADLO C[C@@H]1CCN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)C[C@H]1n1cc[nH+]c1 ZINC000184189526 822593413 /nfs/dbraw/zinc/59/34/13/822593413.db2.gz YDSHFDMDXURDQF-SJKOYZFVSA-N 1 2 388.443 4.008 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000184201070 822595137 /nfs/dbraw/zinc/59/51/37/822595137.db2.gz LQDJTOVCCAKWJU-VIFPVBQESA-N 1 2 377.819 4.413 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(COCc2ccco2)c1 ZINC000047604183 822595918 /nfs/dbraw/zinc/59/59/18/822595918.db2.gz ILQIEDRLWIAZNZ-HXUWFJFHSA-N 1 2 396.491 4.429 20 0 GIADLO CC[C@H]1Cc2ccccc2CN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000184231500 822600111 /nfs/dbraw/zinc/60/01/11/822600111.db2.gz YFRHBTKFKIWHTJ-QFIPXVFZSA-N 1 2 388.515 4.020 20 0 GIADLO O=C(NCC[C@@H]1CCc2ccccc21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455165448 822600610 /nfs/dbraw/zinc/60/06/10/822600610.db2.gz VHLMGSVMMHZBQA-NRFANRHFSA-N 1 2 380.536 4.205 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)n1 ZINC000184238576 822601098 /nfs/dbraw/zinc/60/10/98/822601098.db2.gz GLQWBIQKFPXNMC-AWEZNQCLSA-N 1 2 386.546 4.097 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000455211760 822609722 /nfs/dbraw/zinc/60/97/22/822609722.db2.gz PMIXWJQWEUZZCO-LEWJYISDSA-N 1 2 382.552 4.451 20 0 GIADLO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000184306033 822611606 /nfs/dbraw/zinc/61/16/06/822611606.db2.gz XYZBEODCJNDFMT-HNNXBMFYSA-N 1 2 381.863 4.051 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)c2cccc(F)c2)cn1 ZINC000180101601 822615503 /nfs/dbraw/zinc/61/55/03/822615503.db2.gz DSEKWKKLXLKEER-QFIPXVFZSA-N 1 2 380.467 4.155 20 0 GIADLO C[C@@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccn1 ZINC000047888757 822616717 /nfs/dbraw/zinc/61/67/17/822616717.db2.gz FBGWWNMBFJXCCO-KDOFPFPSSA-N 1 2 390.890 4.071 20 0 GIADLO C[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1Cl ZINC000047891165 822617048 /nfs/dbraw/zinc/61/70/48/822617048.db2.gz PHSPOOAWVSNSNG-INIZCTEOSA-N 1 2 382.895 4.188 20 0 GIADLO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 ZINC000180119483 822619040 /nfs/dbraw/zinc/61/90/40/822619040.db2.gz ZAJNQMZYDXHMGO-SOVGHPHASA-N 1 2 396.878 4.013 20 0 GIADLO C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000047935350 822620944 /nfs/dbraw/zinc/62/09/44/822620944.db2.gz ZLPLICWFWZOUNT-AWEZNQCLSA-N 1 2 392.425 4.130 20 0 GIADLO CC[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)c1nc(C)cs1 ZINC000184360891 822621983 /nfs/dbraw/zinc/62/19/83/822621983.db2.gz YJNWRMKQURKKLB-HOCLYGCPSA-N 1 2 398.488 4.056 20 0 GIADLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c2c(n1)onc2C(C)C ZINC000184385143 822625979 /nfs/dbraw/zinc/62/59/79/822625979.db2.gz XGALLGBETQAVSB-OAHLLOKOSA-N 1 2 398.532 4.235 20 0 GIADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C2CC2)o1 ZINC000048043885 822626215 /nfs/dbraw/zinc/62/62/15/822626215.db2.gz XFKUDSHMHWUZGK-DNVCBOLYSA-N 1 2 396.487 4.167 20 0 GIADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C2CC2)o1 ZINC000048043885 822626218 /nfs/dbraw/zinc/62/62/18/822626218.db2.gz XFKUDSHMHWUZGK-DNVCBOLYSA-N 1 2 396.487 4.167 20 0 GIADLO CSc1c(F)cc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1F ZINC000184387001 822626338 /nfs/dbraw/zinc/62/63/38/822626338.db2.gz YHEBHHDGUXVRHX-UHFFFAOYSA-N 1 2 378.448 4.004 20 0 GIADLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O)c1nc(C)cs1 ZINC000184420716 822631964 /nfs/dbraw/zinc/63/19/64/822631964.db2.gz SZQYNAZLNZKNCM-DOMZBBRYSA-N 1 2 385.489 4.468 20 0 GIADLO COCC[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1cccc(C(F)(F)F)c1 ZINC000455333481 822636199 /nfs/dbraw/zinc/63/61/99/822636199.db2.gz WLCZISOHQSYOPJ-INIZCTEOSA-N 1 2 392.381 4.252 20 0 GIADLO Cc1nc([C@@H](NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(Cl)cc2)no1 ZINC000180191509 822636200 /nfs/dbraw/zinc/63/62/00/822636200.db2.gz MIAGCZMLUMNLEJ-IBGZPJMESA-N 1 2 379.851 4.096 20 0 GIADLO CCOc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(C)c1 ZINC000048143392 822638670 /nfs/dbraw/zinc/63/86/70/822638670.db2.gz KFLNWQOECQMWHI-UHFFFAOYSA-N 1 2 378.476 4.003 20 0 GIADLO C[C@@H]([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)c1nc(C(C)(C)C)cs1 ZINC000184474337 822642342 /nfs/dbraw/zinc/64/23/42/822642342.db2.gz ZLTBICNJZVDKFJ-GFCCVEGCSA-N 1 2 397.491 4.009 20 0 GIADLO Cc1c(-c2cc(C[N@@H+](C)[C@@H](C)c3ccccc3Br)on2)cnn1C ZINC000184481654 822643230 /nfs/dbraw/zinc/64/32/30/822643230.db2.gz NTVKHPOOTKSCIP-LBPRGKRZSA-N 1 2 389.297 4.339 20 0 GIADLO Cc1c(-c2cc(C[N@H+](C)[C@@H](C)c3ccccc3Br)on2)cnn1C ZINC000184481654 822643233 /nfs/dbraw/zinc/64/32/33/822643233.db2.gz NTVKHPOOTKSCIP-LBPRGKRZSA-N 1 2 389.297 4.339 20 0 GIADLO Cc1oc2ccccc2c1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000184485615 822643882 /nfs/dbraw/zinc/64/38/82/822643882.db2.gz ZBROBXNAMSHOLK-UHFFFAOYSA-N 1 2 378.407 4.065 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(Cl)c1 ZINC000184496980 822645634 /nfs/dbraw/zinc/64/56/34/822645634.db2.gz AYZWXKMNIPZYCI-HZPDHXFCSA-N 1 2 380.916 4.029 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(Cl)c1 ZINC000184496980 822645636 /nfs/dbraw/zinc/64/56/36/822645636.db2.gz AYZWXKMNIPZYCI-HZPDHXFCSA-N 1 2 380.916 4.029 20 0 GIADLO COC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccco1 ZINC000184526099 822651166 /nfs/dbraw/zinc/65/11/66/822651166.db2.gz NLKOHCVFNLKISM-MKBNYLNASA-N 1 2 385.291 4.129 20 0 GIADLO Cc1ccc(C(=O)CCCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000184530445 822651886 /nfs/dbraw/zinc/65/18/86/822651886.db2.gz PWZNBCYDKUVKFP-UHFFFAOYSA-N 1 2 385.533 4.429 20 0 GIADLO Cc1cc(C)c(NC(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)c(C)[nH+]1 ZINC000455462391 822659074 /nfs/dbraw/zinc/65/90/74/822659074.db2.gz CDGAIWAHKHAEOO-UHFFFAOYSA-N 1 2 377.492 4.493 20 0 GIADLO Cc1ccc2c(C[NH2+][C@@H](c3cnn(C)c3)c3ccc(F)cc3)cc(=O)oc2c1C ZINC000184589211 822662401 /nfs/dbraw/zinc/66/24/01/822662401.db2.gz LOUAKYSDMYSNKU-JOCHJYFZSA-N 1 2 391.446 4.162 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c(C)[nH+]1 ZINC000455483887 822663367 /nfs/dbraw/zinc/66/33/67/822663367.db2.gz QQGPQYAVANMDAR-UHFFFAOYSA-N 1 2 378.929 4.071 20 0 GIADLO CCN(CC1CCN(c2ccccn2)CC1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455486493 822664026 /nfs/dbraw/zinc/66/40/26/822664026.db2.gz KRPZHFQWUZNGQX-UHFFFAOYSA-N 1 2 381.524 4.172 20 0 GIADLO CCc1ccc2c(C[NH2+][C@H](c3cnn(C)c3)c3ccc(F)cc3)cc(=O)oc2c1 ZINC000184601671 822664222 /nfs/dbraw/zinc/66/42/22/822664222.db2.gz XXSSRZAAPQDNSQ-QHCPKHFHSA-N 1 2 391.446 4.107 20 0 GIADLO Cc1cc(C)c(NC(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000455496594 822666031 /nfs/dbraw/zinc/66/60/31/822666031.db2.gz PCEIXZMNUQENQO-IAGOWNOFSA-N 1 2 393.409 4.365 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccco1 ZINC000184623730 822667360 /nfs/dbraw/zinc/66/73/60/822667360.db2.gz SKZJHSVICRGVGQ-CYBMUJFWSA-N 1 2 377.655 4.156 20 0 GIADLO Cc1cc(C)c(NC(=O)N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)c(C)[nH+]1 ZINC000455528694 822670865 /nfs/dbraw/zinc/67/08/65/822670865.db2.gz RBUJDORGMUHJHZ-RHSMWYFYSA-N 1 2 393.409 4.365 20 0 GIADLO COCCCOc1cccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)c1 ZINC000184665095 822672672 /nfs/dbraw/zinc/67/26/72/822672672.db2.gz QISVVSVRUOPZSW-OAHLLOKOSA-N 1 2 385.439 4.142 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)c[nH+]1 ZINC000455565394 822675387 /nfs/dbraw/zinc/67/53/87/822675387.db2.gz WBONSFJAEYIOKF-UHFFFAOYSA-N 1 2 380.467 4.408 20 0 GIADLO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@@H](C)c1csc(CC)n1 ZINC000184728943 822683014 /nfs/dbraw/zinc/68/30/14/822683014.db2.gz CXUNLSNFUNKVDL-GOEBONIOSA-N 1 2 375.538 4.022 20 0 GIADLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cs1 ZINC000184731269 822683374 /nfs/dbraw/zinc/68/33/74/822683374.db2.gz LYEJOEGLLONUKX-CQSZACIVSA-N 1 2 395.532 4.058 20 0 GIADLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cs1 ZINC000184739863 822684390 /nfs/dbraw/zinc/68/43/90/822684390.db2.gz SAMURGMONKHXEY-ZDUSSCGKSA-N 1 2 387.505 4.036 20 0 GIADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)cs1 ZINC000184740085 822684733 /nfs/dbraw/zinc/68/47/33/822684733.db2.gz YQHMSKYFMMDJMS-NWDGAFQWSA-N 1 2 385.489 4.332 20 0 GIADLO FC(F)(F)c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc(C(F)(F)F)c1 ZINC000180459676 822686130 /nfs/dbraw/zinc/68/61/30/822686130.db2.gz MCDCSWMBIISPLB-UONOGXRCSA-N 1 2 385.373 4.431 20 0 GIADLO FC(F)(F)c1cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc(C(F)(F)F)c1 ZINC000180459676 822686134 /nfs/dbraw/zinc/68/61/34/822686134.db2.gz MCDCSWMBIISPLB-UONOGXRCSA-N 1 2 385.373 4.431 20 0 GIADLO Cn1ccnc1COc1ccc(C[N@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000180464531 822686796 /nfs/dbraw/zinc/68/67/96/822686796.db2.gz GDDQKYCJYURGBY-UHFFFAOYSA-N 1 2 388.471 4.190 20 0 GIADLO Cn1ccnc1COc1ccc(C[N@@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000180464531 822686798 /nfs/dbraw/zinc/68/67/98/822686798.db2.gz GDDQKYCJYURGBY-UHFFFAOYSA-N 1 2 388.471 4.190 20 0 GIADLO Cc1ccccc1COc1cccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000180479543 822688738 /nfs/dbraw/zinc/68/87/38/822688738.db2.gz YLUUHLAIDGGKRM-NRFANRHFSA-N 1 2 390.487 4.467 20 0 GIADLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484750 822689545 /nfs/dbraw/zinc/68/95/45/822689545.db2.gz OKSQVGKOZHTROY-MLGOLLRUSA-N 1 2 382.451 4.349 20 0 GIADLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484750 822689547 /nfs/dbraw/zinc/68/95/47/822689547.db2.gz OKSQVGKOZHTROY-MLGOLLRUSA-N 1 2 382.451 4.349 20 0 GIADLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484782 822689619 /nfs/dbraw/zinc/68/96/19/822689619.db2.gz OKSQVGKOZHTROY-WBMJQRKESA-N 1 2 382.451 4.349 20 0 GIADLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180484782 822689622 /nfs/dbraw/zinc/68/96/22/822689622.db2.gz OKSQVGKOZHTROY-WBMJQRKESA-N 1 2 382.451 4.349 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180492305 822690654 /nfs/dbraw/zinc/69/06/54/822690654.db2.gz KZBTZKIAAFZKIM-GOSISDBHSA-N 1 2 388.393 4.304 20 0 GIADLO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3nc([C@@H](C)OC)no3)s2)cc1 ZINC000184787629 822690959 /nfs/dbraw/zinc/69/09/59/822690959.db2.gz NOGSGNDPGVQTKJ-DGCLKSJQSA-N 1 2 388.493 4.068 20 0 GIADLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000184795271 822691956 /nfs/dbraw/zinc/69/19/56/822691956.db2.gz QPJRAJQWKWXKFX-NHYWBVRUSA-N 1 2 385.291 4.453 20 0 GIADLO COc1cccc(-n2ccn(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)c2=S)c1 ZINC000184810461 822694062 /nfs/dbraw/zinc/69/40/62/822694062.db2.gz VJKHKVGYZPHSAF-JOCHJYFZSA-N 1 2 393.512 4.106 20 0 GIADLO COc1cccc(-n2ccn(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)c2=S)c1 ZINC000184810461 822694064 /nfs/dbraw/zinc/69/40/64/822694064.db2.gz VJKHKVGYZPHSAF-JOCHJYFZSA-N 1 2 393.512 4.106 20 0 GIADLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1CCCc2ccccc21 ZINC000184862018 822702388 /nfs/dbraw/zinc/70/23/88/822702388.db2.gz OBFMEEDMOCTWNO-IAGOWNOFSA-N 1 2 375.472 4.360 20 0 GIADLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c(OC)c1 ZINC000184869968 822704179 /nfs/dbraw/zinc/70/41/79/822704179.db2.gz CIFSIAFMBYVEME-GJZGRUSLSA-N 1 2 395.459 4.037 20 0 GIADLO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184873797 822704918 /nfs/dbraw/zinc/70/49/18/822704918.db2.gz AGJHGEAKWMLHEQ-JKSUJKDBSA-N 1 2 379.460 4.418 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1cc(Br)cc(F)c1O ZINC000184875367 822705142 /nfs/dbraw/zinc/70/51/42/822705142.db2.gz LMOCEEQDPNCCLE-WDEREUQCSA-N 1 2 396.256 4.477 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1ncc(-c2ccccc2)o1 ZINC000184889249 822707862 /nfs/dbraw/zinc/70/78/62/822707862.db2.gz VPQHQICQHKVLHA-CYBMUJFWSA-N 1 2 387.386 4.232 20 0 GIADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ncc(-c2ccccc2)o1 ZINC000184898158 822709610 /nfs/dbraw/zinc/70/96/10/822709610.db2.gz QWXMRSHBWCMLMP-ZDUSSCGKSA-N 1 2 387.386 4.232 20 0 GIADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184899752 822709784 /nfs/dbraw/zinc/70/97/84/822709784.db2.gz XJIRFUKXCJBNHG-ROUUACIJSA-N 1 2 377.488 4.348 20 0 GIADLO O=C(Nc1ccccc1OCCF)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000455717937 822712460 /nfs/dbraw/zinc/71/24/60/822712460.db2.gz ARXYJQQEDOQYNS-FPOVZHCZSA-N 1 2 394.450 4.282 20 0 GIADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)s1 ZINC000184990633 822722693 /nfs/dbraw/zinc/72/26/93/822722693.db2.gz YGILKZFBXXLALC-DNVCBOLYSA-N 1 2 385.558 4.378 20 0 GIADLO Cc1cnc([C@H](C)[NH2+]CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)s1 ZINC000184994837 822723000 /nfs/dbraw/zinc/72/30/00/822723000.db2.gz WRFFOCVKKKPZBJ-ZDUSSCGKSA-N 1 2 389.908 4.332 20 0 GIADLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2c(C)cccc2SC)CC1 ZINC000185006750 822724494 /nfs/dbraw/zinc/72/44/94/822724494.db2.gz FNYBKCIMQXDCCI-UHFFFAOYSA-N 1 2 385.533 4.075 20 0 GIADLO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)c1 ZINC000185020998 822726187 /nfs/dbraw/zinc/72/61/87/822726187.db2.gz JKTKHYQBEUQUIU-JTQLQIEISA-N 1 2 381.245 4.103 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccn(-c2ccccc2Cl)n1 ZINC000050335226 822726428 /nfs/dbraw/zinc/72/64/28/822726428.db2.gz IZBSKDUAMLYCNJ-UHFFFAOYSA-N 1 2 381.798 4.103 20 0 GIADLO CCc1ccc(-c2nc(CC(=O)NCc3[nH+]cc(C)c(OC)c3C)cs2)cc1 ZINC000050449135 822729729 /nfs/dbraw/zinc/72/97/29/822729729.db2.gz IMJXLLHKVQIOBD-UHFFFAOYSA-N 1 2 395.528 4.252 20 0 GIADLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1)c1nccs1 ZINC000185057434 822730309 /nfs/dbraw/zinc/73/03/09/822730309.db2.gz GSHGHIFSMRUBTC-CRAIPNDOSA-N 1 2 393.512 4.442 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1nccs1 ZINC000185089390 822735480 /nfs/dbraw/zinc/73/54/80/822735480.db2.gz CULCMJRZOWHIDN-QGZVFWFLSA-N 1 2 394.500 4.075 20 0 GIADLO COC(=O)c1cc2cc(C[NH2+][C@H](C)c3nc(-c4cccc(F)c4)no3)ccc2o1 ZINC000185093212 822736053 /nfs/dbraw/zinc/73/60/53/822736053.db2.gz COXIHFZDSXOOCS-GFCCVEGCSA-N 1 2 395.390 4.259 20 0 GIADLO CCSCc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000455854542 822737621 /nfs/dbraw/zinc/73/76/21/822737621.db2.gz GUDUPZXWNSLRNF-KRWDZBQOSA-N 1 2 384.549 4.245 20 0 GIADLO C[C@H]([NH2+]Cc1ccoc1)c1cc(Br)cc(Br)c1O ZINC000185106666 822738075 /nfs/dbraw/zinc/73/80/75/822738075.db2.gz HTRAUNWFLQFRNX-QMMMGPOBSA-N 1 2 375.060 4.361 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1nccs1 ZINC000185109252 822738240 /nfs/dbraw/zinc/73/82/40/822738240.db2.gz VCGDWPMMAVESOA-LLVKDONJSA-N 1 2 377.819 4.495 20 0 GIADLO CC(C)c1ncsc1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000455870520 822740364 /nfs/dbraw/zinc/74/03/64/822740364.db2.gz SVYIBGJWTMDKGC-KBPBESRZSA-N 1 2 396.557 4.404 20 0 GIADLO CC(C)c1ncsc1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000455870520 822740365 /nfs/dbraw/zinc/74/03/65/822740365.db2.gz SVYIBGJWTMDKGC-KBPBESRZSA-N 1 2 396.557 4.404 20 0 GIADLO COCC[N@H+](Cn1nc(-c2ccccc2Cl)n(C)c1=S)C1CCCC1 ZINC000050899103 822742443 /nfs/dbraw/zinc/74/24/43/822742443.db2.gz MEUYGXUTHQOTGY-UHFFFAOYSA-N 1 2 380.945 4.120 20 0 GIADLO COCC[N@@H+](Cn1nc(-c2ccccc2Cl)n(C)c1=S)C1CCCC1 ZINC000050899103 822742445 /nfs/dbraw/zinc/74/24/45/822742445.db2.gz MEUYGXUTHQOTGY-UHFFFAOYSA-N 1 2 380.945 4.120 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cc(Br)cc(F)c1O ZINC000185165381 822744827 /nfs/dbraw/zinc/74/48/27/822744827.db2.gz AOOFWQBVWMDTBC-LBPRGKRZSA-N 1 2 390.256 4.330 20 0 GIADLO Cc1ncsc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000051099774 822746437 /nfs/dbraw/zinc/74/64/37/822746437.db2.gz DYKGCNYTBRHYLC-UHFFFAOYSA-N 1 2 384.332 4.153 20 0 GIADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000185185769 822746809 /nfs/dbraw/zinc/74/68/09/822746809.db2.gz XLKTYSAGJZOHHE-UHFFFAOYSA-N 1 2 383.801 4.153 20 0 GIADLO O=C(c1ccccc1)C1CC[NH+](Cc2cn3cc(Br)ccc3n2)CC1 ZINC000051379378 822757962 /nfs/dbraw/zinc/75/79/62/822757962.db2.gz YOSNWGVOBBACCF-UHFFFAOYSA-N 1 2 398.304 4.192 20 0 GIADLO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000185276296 822758230 /nfs/dbraw/zinc/75/82/30/822758230.db2.gz ZDRWDJORESKZIB-GDBMZVCRSA-N 1 2 393.915 4.170 20 0 GIADLO C[C@H](c1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1)C(F)(F)F ZINC000455993948 822763245 /nfs/dbraw/zinc/76/32/45/822763245.db2.gz VGJZBIYBNNLAIW-CABCVRRESA-N 1 2 379.426 4.181 20 0 GIADLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000051531379 822764629 /nfs/dbraw/zinc/76/46/29/822764629.db2.gz OBXDURPJEBELJJ-JLTOFOAXSA-N 1 2 390.886 4.252 20 0 GIADLO Cc1oc2ccccc2c1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185321082 822765505 /nfs/dbraw/zinc/76/55/05/822765505.db2.gz KRQAIVRPEMWXQC-UHFFFAOYSA-N 1 2 390.443 4.338 20 0 GIADLO C[C@@H](c1nnc(Sc2nc3ccccc3o2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000051588870 822767471 /nfs/dbraw/zinc/76/74/71/822767471.db2.gz LQFMFLCKRFBUMS-LBPRGKRZSA-N 1 2 383.452 4.321 20 0 GIADLO CC(C)COC[C@@H]([NH2+]Cc1cnc2ccc(Br)cn12)c1ccco1 ZINC000174328967 822772005 /nfs/dbraw/zinc/77/20/05/822772005.db2.gz JTKSUMJNSBAJFM-MRXNPFEDSA-N 1 2 392.297 4.193 20 0 GIADLO CCOc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc(Cl)c1O ZINC000185380946 822775281 /nfs/dbraw/zinc/77/52/81/822775281.db2.gz GYASBBINUPHJDE-CYBMUJFWSA-N 1 2 394.924 4.025 20 0 GIADLO Cc1cccc2nc(C[NH2+][C@H](C)c3cc(Br)cc(F)c3O)cn21 ZINC000185412569 822780448 /nfs/dbraw/zinc/78/04/48/822780448.db2.gz BJVFAOSCEDJVSL-LLVKDONJSA-N 1 2 378.245 4.101 20 0 GIADLO CCCCN(C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@@H]1CCCC[C@H]1OC ZINC000456183867 822786869 /nfs/dbraw/zinc/78/68/69/822786869.db2.gz FBKVBDMDLWELJR-PWIZWCRZSA-N 1 2 375.557 4.224 20 0 GIADLO CCCCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@@H]1CCCC[C@H]1OC ZINC000456183867 822786870 /nfs/dbraw/zinc/78/68/70/822786870.db2.gz FBKVBDMDLWELJR-PWIZWCRZSA-N 1 2 375.557 4.224 20 0 GIADLO CCCCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@@H]1CCCC[C@H]1OC ZINC000456183866 822786898 /nfs/dbraw/zinc/78/68/98/822786898.db2.gz FBKVBDMDLWELJR-NSISKUIASA-N 1 2 375.557 4.224 20 0 GIADLO CCCCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@@H]1CCCC[C@H]1OC ZINC000456183866 822786901 /nfs/dbraw/zinc/78/69/01/822786901.db2.gz FBKVBDMDLWELJR-NSISKUIASA-N 1 2 375.557 4.224 20 0 GIADLO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1cc(Br)cc(F)c1O ZINC000185468611 822787685 /nfs/dbraw/zinc/78/76/85/822787685.db2.gz GPDJMJGWOCWKGI-PUTJDCORSA-N 1 2 386.236 4.206 20 0 GIADLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000052073475 822789784 /nfs/dbraw/zinc/78/97/84/822789784.db2.gz DVOKNAFUKYZIJH-CQSZACIVSA-N 1 2 380.410 4.079 20 0 GIADLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000052073475 822789786 /nfs/dbraw/zinc/78/97/86/822789786.db2.gz DVOKNAFUKYZIJH-CQSZACIVSA-N 1 2 380.410 4.079 20 0 GIADLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2cc(Br)cc(F)c2O)o1 ZINC000185548328 822795532 /nfs/dbraw/zinc/79/55/32/822795532.db2.gz JBLIQAPASALMST-MEBBXXQBSA-N 1 2 386.261 4.488 20 0 GIADLO CCCC(=O)Nc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000052309124 822795815 /nfs/dbraw/zinc/79/58/15/822795815.db2.gz CLVOBOBIGGBIRD-UHFFFAOYSA-N 1 2 386.459 4.166 20 0 GIADLO CCOC(=O)c1nc(C[NH+]2CCC(CCc3ccc(OC)cc3)CC2)cs1 ZINC000052332779 822796583 /nfs/dbraw/zinc/79/65/83/822796583.db2.gz PTEPOAYULGAOIX-UHFFFAOYSA-N 1 2 388.533 4.173 20 0 GIADLO Cc1ccc(-c2ncc(C[NH+]3CCN([C@@H](C)c4nccs4)CC3)s2)cc1 ZINC000185609777 822801833 /nfs/dbraw/zinc/80/18/33/822801833.db2.gz XXFLAWWMVQKKMS-INIZCTEOSA-N 1 2 384.574 4.454 20 0 GIADLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000185635414 822804930 /nfs/dbraw/zinc/80/49/30/822804930.db2.gz LZXDEXNRFZQICN-ZETCQYMHSA-N 1 2 386.365 4.388 20 0 GIADLO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000052715176 822808378 /nfs/dbraw/zinc/80/83/78/822808378.db2.gz QIUBYYHLEIOMOK-OAQYLSRUSA-N 1 2 395.434 4.092 20 0 GIADLO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000052715176 822808381 /nfs/dbraw/zinc/80/83/81/822808381.db2.gz QIUBYYHLEIOMOK-OAQYLSRUSA-N 1 2 395.434 4.092 20 0 GIADLO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000052802464 822810823 /nfs/dbraw/zinc/81/08/23/822810823.db2.gz OQPZETSRBAENBJ-QFIPXVFZSA-N 1 2 378.516 4.006 20 0 GIADLO O=C(C[NH+]1CCC(CO)CC1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000052807573 822811557 /nfs/dbraw/zinc/81/15/57/822811557.db2.gz RMUHUZLDQSMBJJ-UHFFFAOYSA-N 1 2 390.936 4.134 20 0 GIADLO CC[N@H+](CC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)Cc1ccccc1Cl ZINC000456520505 822812756 /nfs/dbraw/zinc/81/27/56/822812756.db2.gz ZRHPWZWGHVELKH-SJLPKXTDSA-N 1 2 392.952 4.260 20 0 GIADLO CC[N@@H+](CC(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)Cc1ccccc1Cl ZINC000456520505 822812759 /nfs/dbraw/zinc/81/27/59/822812759.db2.gz ZRHPWZWGHVELKH-SJLPKXTDSA-N 1 2 392.952 4.260 20 0 GIADLO Cc1c(C(=O)Nc2ccccc2-n2cc[nH+]c2)cnn1-c1cccc(Cl)c1 ZINC000052926843 822815842 /nfs/dbraw/zinc/81/58/42/822815842.db2.gz MPFWVBMXMLHDSQ-UHFFFAOYSA-N 1 2 377.835 4.272 20 0 GIADLO COc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)ccc1OC1CCCC1 ZINC000052927409 822815932 /nfs/dbraw/zinc/81/59/32/822815932.db2.gz UIZBMQDFVLWWME-UHFFFAOYSA-N 1 2 377.444 4.455 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F ZINC000456584187 822818205 /nfs/dbraw/zinc/81/82/05/822818205.db2.gz VKAINXKBWPGYHW-KGLIPLIRSA-N 1 2 391.315 4.218 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000053139346 822823244 /nfs/dbraw/zinc/82/32/44/822823244.db2.gz BYMVDDVWFGNLLI-MRXNPFEDSA-N 1 2 385.489 4.325 20 0 GIADLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000053139346 822823246 /nfs/dbraw/zinc/82/32/46/822823246.db2.gz BYMVDDVWFGNLLI-MRXNPFEDSA-N 1 2 385.489 4.325 20 0 GIADLO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)cc1 ZINC000185826379 822824891 /nfs/dbraw/zinc/82/48/91/822824891.db2.gz BDOKCVNTMCMALO-APPDUMDISA-N 1 2 398.272 4.077 20 0 GIADLO COCCn1c2ccccc2[nH+]c1NCc1csc(COc2ccccc2)n1 ZINC000185849626 822827251 /nfs/dbraw/zinc/82/72/51/822827251.db2.gz HBCFNPWISTWBCV-UHFFFAOYSA-N 1 2 394.500 4.330 20 0 GIADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H]1c1ccc(F)cc1C ZINC000456822651 822835183 /nfs/dbraw/zinc/83/51/83/822835183.db2.gz BJKIHGYRHFABPH-IBGZPJMESA-N 1 2 387.405 4.434 20 0 GIADLO O=C(Nc1cccc(-c2cc[nH]n2)c1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000185942094 822835750 /nfs/dbraw/zinc/83/57/50/822835750.db2.gz PFHAQZYTJZEMOU-VXKWHMMOSA-N 1 2 398.470 4.324 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000185947614 822836198 /nfs/dbraw/zinc/83/61/98/822836198.db2.gz HFIWXOQJBBDQPF-LLVKDONJSA-N 1 2 377.819 4.495 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1cccs1)c1nc(C(F)(F)F)cs1 ZINC000185955363 822836963 /nfs/dbraw/zinc/83/69/63/822836963.db2.gz JCQLVVJRVKWHGK-NXEZZACHSA-N 1 2 377.457 4.142 20 0 GIADLO CC[C@H]([NH2+]Cc1ccc(C(=O)OC)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000185958010 822837257 /nfs/dbraw/zinc/83/72/57/822837257.db2.gz ZVGJAXKGQHSXEY-LBPRGKRZSA-N 1 2 376.375 4.329 20 0 GIADLO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000456853922 822838281 /nfs/dbraw/zinc/83/82/81/822838281.db2.gz QQYBIQRHTNUNCU-QFIPXVFZSA-N 1 2 377.463 4.285 20 0 GIADLO CC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1F)c1nc(C(F)(F)F)cs1 ZINC000185983482 822840858 /nfs/dbraw/zinc/84/08/58/822840858.db2.gz IJYKOZXEDJTVOJ-LBPRGKRZSA-N 1 2 376.375 4.329 20 0 GIADLO COc1ccccc1OCC[N@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000053683140 822844852 /nfs/dbraw/zinc/84/48/52/822844852.db2.gz BVCJFRPLIWPNMB-UHFFFAOYSA-N 1 2 384.501 4.338 20 0 GIADLO COc1ccccc1OCC[N@@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000053683140 822844853 /nfs/dbraw/zinc/84/48/53/822844853.db2.gz BVCJFRPLIWPNMB-UHFFFAOYSA-N 1 2 384.501 4.338 20 0 GIADLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(OCc2nccn2C)cc1 ZINC000186057500 822847872 /nfs/dbraw/zinc/84/78/72/822847872.db2.gz QGSXKUYDXUMLAX-GOSISDBHSA-N 1 2 399.498 4.307 20 0 GIADLO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000174861699 822847915 /nfs/dbraw/zinc/84/79/15/822847915.db2.gz YRPWJGJQCCSNGS-UZLBHIALSA-N 1 2 382.483 4.114 20 0 GIADLO CCc1ccc(-c2nc(CN3CC[NH+](Cc4ccccn4)CC3)cs2)cc1 ZINC000053811024 822848980 /nfs/dbraw/zinc/84/89/80/822848980.db2.gz OVVYORSLIFTMHB-UHFFFAOYSA-N 1 2 378.545 4.085 20 0 GIADLO Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccccc3SCC#N)CC2)cc1 ZINC000053813266 822849088 /nfs/dbraw/zinc/84/90/88/822849088.db2.gz NYAYXZJQUPBLJM-UHFFFAOYSA-N 1 2 377.513 4.339 20 0 GIADLO Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)CC2)cc1 ZINC000053813266 822849092 /nfs/dbraw/zinc/84/90/92/822849092.db2.gz NYAYXZJQUPBLJM-UHFFFAOYSA-N 1 2 377.513 4.339 20 0 GIADLO COc1cccc([C@H]([NH2+]CC(=O)N(C)Cc2ccco2)c2ccccc2Cl)c1 ZINC000174893585 822851722 /nfs/dbraw/zinc/85/17/22/822851722.db2.gz NUAPEUNLDYTMPR-QFIPXVFZSA-N 1 2 398.890 4.279 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(F)c1Cl ZINC000174898929 822852563 /nfs/dbraw/zinc/85/25/63/822852563.db2.gz XHUMYVIDGFQMFJ-UHFFFAOYSA-N 1 2 375.875 4.253 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccccc1OC(F)F ZINC000174902423 822853080 /nfs/dbraw/zinc/85/30/80/822853080.db2.gz RMJPSCYNMMHZLU-UHFFFAOYSA-N 1 2 389.446 4.062 20 0 GIADLO CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000174905648 822853740 /nfs/dbraw/zinc/85/37/40/822853740.db2.gz FMDHFGWWVFPLPE-SFHVURJKSA-N 1 2 383.492 4.058 20 0 GIADLO CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000174905648 822853745 /nfs/dbraw/zinc/85/37/45/822853745.db2.gz FMDHFGWWVFPLPE-SFHVURJKSA-N 1 2 383.492 4.058 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000174907157 822853890 /nfs/dbraw/zinc/85/38/90/822853890.db2.gz BJQBZSKGQWGRFG-UYAOXDASSA-N 1 2 399.485 4.228 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000174909740 822854481 /nfs/dbraw/zinc/85/44/81/822854481.db2.gz CVXPHESJRBOLGZ-UHFFFAOYSA-N 1 2 391.437 4.479 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000174912077 822854645 /nfs/dbraw/zinc/85/46/45/822854645.db2.gz IAGHEBFWYHVVAC-FQEVSTJZSA-N 1 2 393.531 4.103 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(c2ccccc2C)CC1 ZINC000174911704 822854653 /nfs/dbraw/zinc/85/46/53/822854653.db2.gz OVEWUMVJJBWPLN-UHFFFAOYSA-N 1 2 377.532 4.187 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCCc2cccc(C(F)(F)F)c2)C1 ZINC000186154279 822856250 /nfs/dbraw/zinc/85/62/50/822856250.db2.gz ZSRSNSONSZOFRB-KRWDZBQOSA-N 1 2 393.453 4.243 20 0 GIADLO O=C(Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1)C1CC1 ZINC000174931167 822857449 /nfs/dbraw/zinc/85/74/49/822857449.db2.gz WGOLGXJMYUGVHI-NRFANRHFSA-N 1 2 395.478 4.167 20 0 GIADLO O=C(Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1)C1CC1 ZINC000174931167 822857451 /nfs/dbraw/zinc/85/74/51/822857451.db2.gz WGOLGXJMYUGVHI-NRFANRHFSA-N 1 2 395.478 4.167 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC2(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000186262982 822866565 /nfs/dbraw/zinc/86/65/65/822866565.db2.gz XHVBKGAIZSVQCO-KDURUIRLSA-N 1 2 393.531 4.193 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC2(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000186262982 822866568 /nfs/dbraw/zinc/86/65/68/822866568.db2.gz XHVBKGAIZSVQCO-KDURUIRLSA-N 1 2 393.531 4.193 20 0 GIADLO O=C(CCCc1nc(-c2cccs2)no1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225729 822869660 /nfs/dbraw/zinc/86/96/60/822869660.db2.gz OIYVYCVZEJHQJE-UHFFFAOYSA-N 1 2 397.435 4.084 20 0 GIADLO Cc1ccc(C[C@@H]2CCCN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C2)cc1 ZINC000569027203 822870870 /nfs/dbraw/zinc/87/08/70/822870870.db2.gz KFNXUNMXMFSAPD-QFIPXVFZSA-N 1 2 388.515 4.345 20 0 GIADLO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1[nH+]ccc2cc(OC)c(F)cc21 ZINC000569028654 822871009 /nfs/dbraw/zinc/87/10/09/822871009.db2.gz OWMWSENVGQIYNT-UHFFFAOYSA-N 1 2 381.451 4.111 20 0 GIADLO Cc1c(Cl)cncc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000457385048 822871794 /nfs/dbraw/zinc/87/17/94/822871794.db2.gz HSHHNASGRCJPMY-UHFFFAOYSA-N 1 2 398.919 4.311 20 0 GIADLO Cc1c(Cl)cncc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000457385048 822871796 /nfs/dbraw/zinc/87/17/96/822871796.db2.gz HSHHNASGRCJPMY-UHFFFAOYSA-N 1 2 398.919 4.311 20 0 GIADLO C[C@H](CC(F)(F)F)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000457387095 822872060 /nfs/dbraw/zinc/87/20/60/822872060.db2.gz KDADRXKVAHBGDL-GFCCVEGCSA-N 1 2 383.439 4.228 20 0 GIADLO C[C@H](CC(F)(F)F)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000457387095 822872064 /nfs/dbraw/zinc/87/20/64/822872064.db2.gz KDADRXKVAHBGDL-GFCCVEGCSA-N 1 2 383.439 4.228 20 0 GIADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cccc2ccc(=O)[nH]c21 ZINC000569047357 822873342 /nfs/dbraw/zinc/87/33/42/822873342.db2.gz PNRMTLXLZGWMCA-UHFFFAOYSA-N 1 2 384.439 4.393 20 0 GIADLO O=C(Cc1ccccc1OC1CCCC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000457467210 822878069 /nfs/dbraw/zinc/87/80/69/822878069.db2.gz URGYGQVGIAEGGK-UHFFFAOYSA-N 1 2 393.531 4.252 20 0 GIADLO CC(C)(C)[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc(C(F)(F)F)c1 ZINC000569123962 822881474 /nfs/dbraw/zinc/88/14/74/822881474.db2.gz QTMQQDNPZZOUOD-WMLDXEAASA-N 1 2 379.426 4.368 20 0 GIADLO CC(C)c1ccc([C@H](NC(=O)NCCc2cn(C)c[nH+]2)c2cccs2)cc1 ZINC000457536669 822887517 /nfs/dbraw/zinc/88/75/17/822887517.db2.gz VTHXJPWOXHGCQF-FQEVSTJZSA-N 1 2 382.533 4.236 20 0 GIADLO Fc1ccccc1-c1nn(C[N@H+](C[C@H]2CCOC2)C2CC2)c(=S)n1C1CC1 ZINC000054495365 822890787 /nfs/dbraw/zinc/89/07/87/822890787.db2.gz AZUKOFZDXPBSIA-CQSZACIVSA-N 1 2 388.512 4.013 20 0 GIADLO Fc1ccccc1-c1nn(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(=S)n1C1CC1 ZINC000054495365 822890794 /nfs/dbraw/zinc/89/07/94/822890794.db2.gz AZUKOFZDXPBSIA-CQSZACIVSA-N 1 2 388.512 4.013 20 0 GIADLO CCn1c(=S)n(C[N@H+](C[C@@H]2CCOC2)C2CC2)nc1-c1ccc(Cl)cc1 ZINC000054495356 822890868 /nfs/dbraw/zinc/89/08/68/822890868.db2.gz XVUDMNUGQXSPFD-AWEZNQCLSA-N 1 2 392.956 4.213 20 0 GIADLO CCn1c(=S)n(C[N@@H+](C[C@@H]2CCOC2)C2CC2)nc1-c1ccc(Cl)cc1 ZINC000054495356 822890869 /nfs/dbraw/zinc/89/08/69/822890869.db2.gz XVUDMNUGQXSPFD-AWEZNQCLSA-N 1 2 392.956 4.213 20 0 GIADLO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175148940 822892362 /nfs/dbraw/zinc/89/23/62/822892362.db2.gz IAQSRVLMGSFCFU-UHFFFAOYSA-N 1 2 377.444 4.009 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c2ccccc12 ZINC000186437433 822895495 /nfs/dbraw/zinc/89/54/95/822895495.db2.gz RAVRLFAKYHEVMX-MRXNPFEDSA-N 1 2 388.471 4.396 20 0 GIADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1coc(-c2cccs2)n1)c1ccccc1 ZINC000175164560 822895765 /nfs/dbraw/zinc/89/57/65/822895765.db2.gz NCODBZXQLHCVSB-GOSISDBHSA-N 1 2 381.501 4.188 20 0 GIADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1coc(-c2cccs2)n1)c1ccccc1 ZINC000175164560 822895771 /nfs/dbraw/zinc/89/57/71/822895771.db2.gz NCODBZXQLHCVSB-GOSISDBHSA-N 1 2 381.501 4.188 20 0 GIADLO O=C(NC1CCc2ccccc2CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569315287 822906333 /nfs/dbraw/zinc/90/63/33/822906333.db2.gz QZCYWMWHFQVUJQ-HXUWFJFHSA-N 1 2 392.547 4.056 20 0 GIADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)s1 ZINC000175249477 822913927 /nfs/dbraw/zinc/91/39/27/822913927.db2.gz KQGPCYHTNIXMNW-RYUDHWBXSA-N 1 2 382.327 4.200 20 0 GIADLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000186580254 822916988 /nfs/dbraw/zinc/91/69/88/822916988.db2.gz KKALLGPXBPEWHU-UHFFFAOYSA-N 1 2 385.515 4.273 20 0 GIADLO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000175260171 822917819 /nfs/dbraw/zinc/91/78/19/822917819.db2.gz PTUZQMLBMSXLBL-HNNXBMFYSA-N 1 2 393.314 4.293 20 0 GIADLO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000175260171 822917823 /nfs/dbraw/zinc/91/78/23/822917823.db2.gz PTUZQMLBMSXLBL-HNNXBMFYSA-N 1 2 393.314 4.293 20 0 GIADLO COc1ccc(C(=O)C2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000054886819 822920226 /nfs/dbraw/zinc/92/02/26/822920226.db2.gz SUBIKZNLETYYTM-UHFFFAOYSA-N 1 2 383.879 4.091 20 0 GIADLO CN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000457799772 822920627 /nfs/dbraw/zinc/92/06/27/822920627.db2.gz XEMHUMSEHIHFSC-RTWAWAEBSA-N 1 2 378.520 4.028 20 0 GIADLO Cc1ccc([C@@H](OC[C@@H](O)C[N@@H+](C)Cc2nccs2)c2ccccc2)cc1 ZINC000175302020 822929672 /nfs/dbraw/zinc/92/96/72/822929672.db2.gz VNQVFWQOVPYTHB-UNMCSNQZSA-N 1 2 382.529 4.050 20 0 GIADLO Cc1ccc([C@@H](OC[C@@H](O)C[N@H+](C)Cc2nccs2)c2ccccc2)cc1 ZINC000175302020 822929675 /nfs/dbraw/zinc/92/96/75/822929675.db2.gz VNQVFWQOVPYTHB-UNMCSNQZSA-N 1 2 382.529 4.050 20 0 GIADLO O=C(NCCCCNc1cccc[nH+]1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000186656534 822930739 /nfs/dbraw/zinc/93/07/39/822930739.db2.gz IYKFAQXIUCCKQI-UHFFFAOYSA-N 1 2 395.400 4.280 20 0 GIADLO Nc1cccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)c1 ZINC000569504980 822930944 /nfs/dbraw/zinc/93/09/44/822930944.db2.gz ZQJUJMFVXPDIML-UHFFFAOYSA-N 1 2 379.533 4.128 20 0 GIADLO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000457933809 822939479 /nfs/dbraw/zinc/93/94/79/822939479.db2.gz DRRIJPCBUCRPAE-SQWLQELKSA-N 1 2 380.414 4.133 20 0 GIADLO O=C(C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccc(Cl)c(Cl)c1 ZINC000186700539 822940386 /nfs/dbraw/zinc/94/03/86/822940386.db2.gz MXWBQRUOGNTKFS-IBGZPJMESA-N 1 2 377.271 4.063 20 0 GIADLO O=C(C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccc(Cl)c(Cl)c1 ZINC000186700539 822940389 /nfs/dbraw/zinc/94/03/89/822940389.db2.gz MXWBQRUOGNTKFS-IBGZPJMESA-N 1 2 377.271 4.063 20 0 GIADLO C[C@@H]1CCN(C(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)c2ccccc2S1 ZINC000569588314 822942716 /nfs/dbraw/zinc/94/27/16/822942716.db2.gz JZSSLEIAPOADLR-QGZVFWFLSA-N 1 2 379.529 4.088 20 0 GIADLO C[C@@H]1CCN(C(=O)C[N@H+]2CCC=C(c3ccccn3)C2)c2ccccc2S1 ZINC000569588314 822942719 /nfs/dbraw/zinc/94/27/19/822942719.db2.gz JZSSLEIAPOADLR-QGZVFWFLSA-N 1 2 379.529 4.088 20 0 GIADLO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000175355468 822943894 /nfs/dbraw/zinc/94/38/94/822943894.db2.gz KEOAQTUZAAKHKJ-WIYYLYMNSA-N 1 2 378.520 4.160 20 0 GIADLO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000175364115 822947140 /nfs/dbraw/zinc/94/71/40/822947140.db2.gz RWEWUAJWIRRHFL-DENIHFKCSA-N 1 2 388.515 4.062 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000569646292 822949492 /nfs/dbraw/zinc/94/94/92/822949492.db2.gz UXPBEAQKMPFMFY-LEWJYISDSA-N 1 2 378.520 4.207 20 0 GIADLO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(C)c1C ZINC000175390201 822956176 /nfs/dbraw/zinc/95/61/76/822956176.db2.gz ZGWMXKLNXDNSNC-PWECECGKSA-N 1 2 378.563 4.042 20 0 GIADLO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(C)c1C ZINC000175390201 822956178 /nfs/dbraw/zinc/95/61/78/822956178.db2.gz ZGWMXKLNXDNSNC-PWECECGKSA-N 1 2 378.563 4.042 20 0 GIADLO Cc1ccccc1-c1cnc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000569782685 822968328 /nfs/dbraw/zinc/96/83/28/822968328.db2.gz GWXBPRCWYOMQPL-PGRDOPGGSA-N 1 2 395.890 4.365 20 0 GIADLO C[C@H](NC(=O)N1CCC(OCC2CCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175456210 822973675 /nfs/dbraw/zinc/97/36/75/822973675.db2.gz RCVLLSOCZSUKFQ-SFHVURJKSA-N 1 2 396.535 4.314 20 0 GIADLO CCNc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569854484 822976333 /nfs/dbraw/zinc/97/63/33/822976333.db2.gz FBCWYWNMIZEKIX-OAHLLOKOSA-N 1 2 386.927 4.324 20 0 GIADLO CC(C)C(=O)N1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000186937632 822983699 /nfs/dbraw/zinc/98/36/99/822983699.db2.gz UERXRMDKYMIUDZ-UHFFFAOYSA-N 1 2 377.941 4.154 20 0 GIADLO CC(C)C(=O)N1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000186937632 822983701 /nfs/dbraw/zinc/98/37/01/822983701.db2.gz UERXRMDKYMIUDZ-UHFFFAOYSA-N 1 2 377.941 4.154 20 0 GIADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000175528256 822991463 /nfs/dbraw/zinc/99/14/63/822991463.db2.gz PJMTZFUSTLSUFA-LBPRGKRZSA-N 1 2 375.444 4.230 20 0 GIADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000175528256 822991465 /nfs/dbraw/zinc/99/14/65/822991465.db2.gz PJMTZFUSTLSUFA-LBPRGKRZSA-N 1 2 375.444 4.230 20 0 GIADLO C[N@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)[C@@H]1CCc2ccccc21 ZINC000175529461 822991640 /nfs/dbraw/zinc/99/16/40/822991640.db2.gz YUPISTLSOYHEMB-HXUWFJFHSA-N 1 2 377.513 4.444 20 0 GIADLO C[N@@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)[C@@H]1CCc2ccccc21 ZINC000175529461 822991642 /nfs/dbraw/zinc/99/16/42/822991642.db2.gz YUPISTLSOYHEMB-HXUWFJFHSA-N 1 2 377.513 4.444 20 0 GIADLO C[C@H](CC(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1)n1cc[nH+]c1 ZINC000569977147 822992346 /nfs/dbraw/zinc/99/23/46/822992346.db2.gz FWECUDKGTRDBEY-SJKOYZFVSA-N 1 2 394.288 4.393 20 0 GIADLO Cn1ccnc1C[NH+]1CCC(c2nc(-c3ccc4sccc4c3)no2)CC1 ZINC000570015315 822997210 /nfs/dbraw/zinc/99/72/10/822997210.db2.gz KQQSYNYVRDYGCD-UHFFFAOYSA-N 1 2 379.489 4.064 20 0 GIADLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCC1(F)F ZINC000570130958 823008631 /nfs/dbraw/zinc/00/86/31/823008631.db2.gz YQQNCOFDBXDAIC-AWEZNQCLSA-N 1 2 380.435 4.034 20 0 GIADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCC1(F)F ZINC000570130958 823008632 /nfs/dbraw/zinc/00/86/32/823008632.db2.gz YQQNCOFDBXDAIC-AWEZNQCLSA-N 1 2 380.435 4.034 20 0 GIADLO Cc1cc(C)c2c(c1)CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)CC2 ZINC000187129713 823015028 /nfs/dbraw/zinc/01/50/28/823015028.db2.gz WQCOWQYDETVWGT-UHFFFAOYSA-N 1 2 390.487 4.169 20 0 GIADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(F)cccc1Br ZINC000175663664 823015320 /nfs/dbraw/zinc/01/53/20/823015320.db2.gz TYQOXZVFFOPZBC-UHFFFAOYSA-N 1 2 378.176 4.165 20 0 GIADLO CCc1ccc([C@H](NC(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c2cccs2)cc1 ZINC000570219264 823016142 /nfs/dbraw/zinc/01/61/42/823016142.db2.gz JSCDQZFLMLTQFH-YWZLYKJASA-N 1 2 392.515 4.493 20 0 GIADLO CCc1ccc([C@H](NC(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)c2cccs2)cc1 ZINC000570219264 823016145 /nfs/dbraw/zinc/01/61/45/823016145.db2.gz JSCDQZFLMLTQFH-YWZLYKJASA-N 1 2 392.515 4.493 20 0 GIADLO Cc1ccc(C[S@](=O)CC(=O)N[C@H](c2ccccc2)C2CCCCC2)c(C)[nH+]1 ZINC000187216243 823026163 /nfs/dbraw/zinc/02/61/63/823026163.db2.gz AQAUVNZCUNQOKH-LXFBAYGMSA-N 1 2 398.572 4.385 20 0 GIADLO COc1c(Br)cccc1C[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000187258651 823031874 /nfs/dbraw/zinc/03/18/74/823031874.db2.gz PUFJQXNNHCSLDE-UHFFFAOYSA-N 1 2 381.217 4.223 20 0 GIADLO CCN(C(C)=O)c1nc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cs1 ZINC000175753399 823032190 /nfs/dbraw/zinc/03/21/90/823032190.db2.gz XYJQVNYRXCQXLF-LLVKDONJSA-N 1 2 387.427 4.265 20 0 GIADLO CC[C@H](CN(CC)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000187278593 823035935 /nfs/dbraw/zinc/03/59/35/823035935.db2.gz SZDIYWHBABBHLS-HXUWFJFHSA-N 1 2 380.536 4.407 20 0 GIADLO COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190158654 823544458 /nfs/dbraw/zinc/54/44/58/823544458.db2.gz FRSYGTAPDDZBBK-AZUAARDMSA-N 1 2 379.460 4.016 20 0 GIADLO COc1ccccc1-c1ccc(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190158654 823544461 /nfs/dbraw/zinc/54/44/61/823544461.db2.gz FRSYGTAPDDZBBK-AZUAARDMSA-N 1 2 379.460 4.016 20 0 GIADLO CC1(C)C[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC000190167580 823545286 /nfs/dbraw/zinc/54/52/86/823545286.db2.gz XIGNBHIOYIILHC-QGZVFWFLSA-N 1 2 383.458 4.136 20 0 GIADLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC000190167580 823545287 /nfs/dbraw/zinc/54/52/87/823545287.db2.gz XIGNBHIOYIILHC-QGZVFWFLSA-N 1 2 383.458 4.136 20 0 GIADLO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177937400 823548507 /nfs/dbraw/zinc/54/85/07/823548507.db2.gz HEULILYWVSEINT-OAHLLOKOSA-N 1 2 391.500 4.327 20 0 GIADLO CC(C)[C@H](NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(C(C)(C)C)cc1 ZINC000411132651 823550716 /nfs/dbraw/zinc/55/07/16/823550716.db2.gz HARWCCICBRTWSK-FQEVSTJZSA-N 1 2 392.503 4.084 20 0 GIADLO CC(=O)c1csc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000123911288 823550969 /nfs/dbraw/zinc/55/09/69/823550969.db2.gz IGDCIVMIMDHWLL-SCLBCKFNSA-N 1 2 394.899 4.166 20 0 GIADLO CC(=O)c1csc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000123911288 823550974 /nfs/dbraw/zinc/55/09/74/823550974.db2.gz IGDCIVMIMDHWLL-SCLBCKFNSA-N 1 2 394.899 4.166 20 0 GIADLO CCOCc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000123953606 823554890 /nfs/dbraw/zinc/55/48/90/823554890.db2.gz XAKNDXVBFSWFSI-FCHUYYIVSA-N 1 2 390.487 4.470 20 0 GIADLO C[C@@H]1[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1(F)F ZINC000460999725 823557348 /nfs/dbraw/zinc/55/73/48/823557348.db2.gz JPTGIQXWWPYRLA-QRWLVFNGSA-N 1 2 381.426 4.116 20 0 GIADLO CC(C)c1c(C(=O)NNc2cc[nH+]cc2Cl)cnn1-c1ccccc1Cl ZINC000190297119 823560212 /nfs/dbraw/zinc/56/02/12/823560212.db2.gz IOXXBDHPTCSVOL-UHFFFAOYSA-N 1 2 390.274 4.454 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)c1C ZINC000124022633 823560813 /nfs/dbraw/zinc/56/08/13/823560813.db2.gz OCDMEZPQQCQAQZ-HNNXBMFYSA-N 1 2 390.553 4.498 20 0 GIADLO CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411275365 823561690 /nfs/dbraw/zinc/56/16/90/823561690.db2.gz RDFUJSJZVVRZAN-IBGZPJMESA-N 1 2 397.519 4.248 20 0 GIADLO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)cc1OC ZINC000190324061 823562898 /nfs/dbraw/zinc/56/28/98/823562898.db2.gz WXFLWBGEQSRMMI-GFCCVEGCSA-N 1 2 391.393 4.158 20 0 GIADLO Cc1cccnc1[C@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)C ZINC000124058138 823564135 /nfs/dbraw/zinc/56/41/35/823564135.db2.gz JVZLBTVTZUHOBO-IEBWSBKVSA-N 1 2 386.565 4.237 20 0 GIADLO Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000411432785 823573611 /nfs/dbraw/zinc/57/36/11/823573611.db2.gz VJBCETKIXBMMFY-UXHICEINSA-N 1 2 379.504 4.048 20 0 GIADLO CC(C)[C@@H](NC(=O)C[N@H+](C)Cc1cc(Br)cs1)c1ccccc1 ZINC000061041827 823574986 /nfs/dbraw/zinc/57/49/86/823574986.db2.gz HRVCDSJYQULNKJ-GOSISDBHSA-N 1 2 395.366 4.456 20 0 GIADLO CC(C)[C@@H](NC(=O)C[N@@H+](C)Cc1cc(Br)cs1)c1ccccc1 ZINC000061041827 823574990 /nfs/dbraw/zinc/57/49/90/823574990.db2.gz HRVCDSJYQULNKJ-GOSISDBHSA-N 1 2 395.366 4.456 20 0 GIADLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccc(F)c(F)c1 ZINC000461105958 823578403 /nfs/dbraw/zinc/57/84/03/823578403.db2.gz DUYSKKLCWYDJMH-ZFWWWQNUSA-N 1 2 394.412 4.127 20 0 GIADLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccc(F)c(F)c1 ZINC000461105958 823578404 /nfs/dbraw/zinc/57/84/04/823578404.db2.gz DUYSKKLCWYDJMH-ZFWWWQNUSA-N 1 2 394.412 4.127 20 0 GIADLO Cc1cccc(C)c1OC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccccc1 ZINC000411471056 823578744 /nfs/dbraw/zinc/57/87/44/823578744.db2.gz FBRQUEUJEQWWFO-FQEVSTJZSA-N 1 2 399.512 4.210 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(c4ccccc4F)C3)n2)C1 ZINC000461117427 823580644 /nfs/dbraw/zinc/58/06/44/823580644.db2.gz USUJWWFJTHOGNG-AWEZNQCLSA-N 1 2 388.512 4.145 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(c4ccccc4F)C3)n2)C1 ZINC000461117427 823580649 /nfs/dbraw/zinc/58/06/49/823580649.db2.gz USUJWWFJTHOGNG-AWEZNQCLSA-N 1 2 388.512 4.145 20 0 GIADLO Cc1ccccc1NC(=O)Cc1nc(C[NH2+][C@H](c2cccnc2)C2CC2)cs1 ZINC000411498305 823581549 /nfs/dbraw/zinc/58/15/49/823581549.db2.gz AVTVIQSPWRQJRS-QFIPXVFZSA-N 1 2 392.528 4.269 20 0 GIADLO COc1cc([C@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)ccc1OCc1ccccc1 ZINC000190528894 823583740 /nfs/dbraw/zinc/58/37/40/823583740.db2.gz ICHCEGJSZMTGCK-JKSUJKDBSA-N 1 2 393.491 4.007 20 0 GIADLO COc1cccc(-c2nc(C[NH+]3CC(C)(C)OC(C)(C)C3)cs2)c1OC ZINC000190530273 823583813 /nfs/dbraw/zinc/58/38/13/823583813.db2.gz RJAINLQPVKNQHM-UHFFFAOYSA-N 1 2 376.522 4.217 20 0 GIADLO C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)c1nc(C2CCCCC2)no1 ZINC000411529070 823585174 /nfs/dbraw/zinc/58/51/74/823585174.db2.gz GMNQDWHHXCELOJ-CYBMUJFWSA-N 1 2 376.888 4.450 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000190553028 823585647 /nfs/dbraw/zinc/58/56/47/823585647.db2.gz LHGXOLAVWVPCML-HRAATJIYSA-N 1 2 386.515 4.330 20 0 GIADLO CC(C)([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@H]21)c1nc(C(F)(F)F)cs1 ZINC000411542911 823586879 /nfs/dbraw/zinc/58/68/79/823586879.db2.gz QOJVWLVOKRCQOS-CHWSQXEVSA-N 1 2 389.487 4.168 20 0 GIADLO Cn1cccc1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000411552548 823587554 /nfs/dbraw/zinc/58/75/54/823587554.db2.gz OBWFRFQINIHPQI-HSZRJFAPSA-N 1 2 389.499 4.094 20 0 GIADLO Cn1cccc1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000411552548 823587555 /nfs/dbraw/zinc/58/75/55/823587555.db2.gz OBWFRFQINIHPQI-HSZRJFAPSA-N 1 2 389.499 4.094 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000411583716 823589356 /nfs/dbraw/zinc/58/93/56/823589356.db2.gz DIMOABYHCGHKMA-PMACEKPBSA-N 1 2 379.504 4.036 20 0 GIADLO COC(=O)c1ccc(C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)nc1 ZINC000411628470 823592359 /nfs/dbraw/zinc/59/23/59/823592359.db2.gz USWNHMFYOCBBLN-UHFFFAOYSA-N 1 2 384.785 4.319 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH+]2CCC(OCCc3ccccc3)CC2)o1 ZINC000124397231 823593382 /nfs/dbraw/zinc/59/33/82/823593382.db2.gz JADGETMZVKICPJ-UHFFFAOYSA-N 1 2 391.515 4.193 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cc(F)cc(Cl)c3)cc2)c1C ZINC000461184774 823594883 /nfs/dbraw/zinc/59/48/83/823594883.db2.gz CLJTWPNGBJLRSU-UHFFFAOYSA-N 1 2 379.844 4.082 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cccc4cc(C)cnc43)cc2)c1C ZINC000461207514 823598696 /nfs/dbraw/zinc/59/86/96/823598696.db2.gz NJUQOKDZKCIENO-UHFFFAOYSA-N 1 2 392.484 4.147 20 0 GIADLO O=C(Nc1cc(F)c(F)cc1F)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000124466639 823599119 /nfs/dbraw/zinc/59/91/19/823599119.db2.gz BVDFIDYFPBJYJV-OALUTQOASA-N 1 2 386.377 4.351 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3c(C)ccc4cccnc43)cc2)c1C ZINC000461211055 823599387 /nfs/dbraw/zinc/59/93/87/823599387.db2.gz LECGNAFOLFEKHS-UHFFFAOYSA-N 1 2 392.484 4.147 20 0 GIADLO COc1ccc([C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)c2nccn2C)cc1 ZINC000190739162 823603757 /nfs/dbraw/zinc/60/37/57/823603757.db2.gz VGZKHZQLGYTUKR-QFIPXVFZSA-N 1 2 377.488 4.097 20 0 GIADLO CC(C)OC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1-c1ccccc1)C(C)C ZINC000411786165 823604841 /nfs/dbraw/zinc/60/48/41/823604841.db2.gz JNFCSFQHWBNZSG-QFIPXVFZSA-N 1 2 382.504 4.248 20 0 GIADLO COCC[C@H]([NH2+]Cc1nc2ccsc2c(=O)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000411789315 823604915 /nfs/dbraw/zinc/60/49/15/823604915.db2.gz NBULIGJXXFAZKX-ZDUSSCGKSA-N 1 2 397.422 4.283 20 0 GIADLO CCOc1ccc(OCC)c(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000124579986 823608157 /nfs/dbraw/zinc/60/81/57/823608157.db2.gz DGLUBPDHIVKLEF-UHFFFAOYSA-N 1 2 394.475 4.051 20 0 GIADLO CC1(C)CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[C@H]1C(F)(F)F ZINC000190781808 823608298 /nfs/dbraw/zinc/60/82/98/823608298.db2.gz QOYBVISKANIFNV-MRXNPFEDSA-N 1 2 398.473 4.192 20 0 GIADLO Brc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000190784490 823608658 /nfs/dbraw/zinc/60/86/58/823608658.db2.gz CGNDIACWXWYANL-INIZCTEOSA-N 1 2 385.265 4.231 20 0 GIADLO Brc1ccccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000190784490 823608660 /nfs/dbraw/zinc/60/86/60/823608660.db2.gz CGNDIACWXWYANL-INIZCTEOSA-N 1 2 385.265 4.231 20 0 GIADLO O=C(c1ccc(N2CCCc3ccccc32)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000124610057 823610955 /nfs/dbraw/zinc/61/09/55/823610955.db2.gz HNBVXBOOMAGCGA-UHFFFAOYSA-N 1 2 386.499 4.445 20 0 GIADLO Cc1cc(-n2cccn2)ccc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000190806803 823611351 /nfs/dbraw/zinc/61/13/51/823611351.db2.gz DQCIWBGKAYENPF-KRWDZBQOSA-N 1 2 395.532 4.153 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@H+](C)CC3CCOCC3)nc2-c2ccco2)cc1 ZINC000124663312 823615400 /nfs/dbraw/zinc/61/54/00/823615400.db2.gz DZOVGISMZNYMOM-UHFFFAOYSA-N 1 2 398.532 4.288 20 0 GIADLO Cc1ccc(-n2c(=S)n(C[N@@H+](C)CC3CCOCC3)nc2-c2ccco2)cc1 ZINC000124663312 823615402 /nfs/dbraw/zinc/61/54/02/823615402.db2.gz DZOVGISMZNYMOM-UHFFFAOYSA-N 1 2 398.532 4.288 20 0 GIADLO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1ncc(Cl)s1)C(C)C ZINC000411978836 823617645 /nfs/dbraw/zinc/61/76/45/823617645.db2.gz DOVINPBEOYDOMG-CYBMUJFWSA-N 1 2 386.970 4.169 20 0 GIADLO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ncc(Cl)s1)C(C)C ZINC000411978836 823617646 /nfs/dbraw/zinc/61/76/46/823617646.db2.gz DOVINPBEOYDOMG-CYBMUJFWSA-N 1 2 386.970 4.169 20 0 GIADLO Cc1sc(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(C)c1C ZINC000411995100 823619155 /nfs/dbraw/zinc/61/91/55/823619155.db2.gz CABZWCBULONFOV-FQEVSTJZSA-N 1 2 384.545 4.466 20 0 GIADLO Cc1sc(NC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(C)c1C ZINC000411995100 823619157 /nfs/dbraw/zinc/61/91/57/823619157.db2.gz CABZWCBULONFOV-FQEVSTJZSA-N 1 2 384.545 4.466 20 0 GIADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412003370 823620832 /nfs/dbraw/zinc/62/08/32/823620832.db2.gz XEVNCZSBQHDFTJ-QRWLVFNGSA-N 1 2 386.442 4.146 20 0 GIADLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412003370 823620833 /nfs/dbraw/zinc/62/08/33/823620833.db2.gz XEVNCZSBQHDFTJ-QRWLVFNGSA-N 1 2 386.442 4.146 20 0 GIADLO C[C@H](C(=O)[C@H](C#N)c1cnc2ccccc2n1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000190912990 823623402 /nfs/dbraw/zinc/62/34/02/823623402.db2.gz UUFYCODQBBJAGQ-WIYYLYMNSA-N 1 2 398.510 4.149 20 0 GIADLO Cc1ccc(OCc2nc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)CC3)cs2)cc1 ZINC000412057353 823624806 /nfs/dbraw/zinc/62/48/06/823624806.db2.gz QVYCKHLHPNRHNR-LJQANCHMSA-N 1 2 399.560 4.007 20 0 GIADLO Cc1ccc(OCc2nc(C[N@H+]3CCC[C@@H](N4CCCC4=O)CC3)cs2)cc1 ZINC000412057353 823624807 /nfs/dbraw/zinc/62/48/07/823624807.db2.gz QVYCKHLHPNRHNR-LJQANCHMSA-N 1 2 399.560 4.007 20 0 GIADLO C[C@@](Cc1ccccc1)([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccccc1 ZINC000412088495 823626244 /nfs/dbraw/zinc/62/62/44/823626244.db2.gz DBTRJSPNTCIYPM-IBGZPJMESA-N 1 2 375.394 4.422 20 0 GIADLO O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000124796304 823626846 /nfs/dbraw/zinc/62/68/46/823626846.db2.gz DIWVGOIOQFUYIR-VXKWHMMOSA-N 1 2 398.470 4.324 20 0 GIADLO Cc1cc(F)c(Br)cc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000190942493 823627949 /nfs/dbraw/zinc/62/79/49/823627949.db2.gz LMEUGDKVNSQHML-UHFFFAOYSA-N 1 2 395.276 4.305 20 0 GIADLO COc1cc(C[N@H+](C)Cc2nnc(-c3cc4c(s3)CCCC4)o2)cc(OC)c1 ZINC000461398787 823629460 /nfs/dbraw/zinc/62/94/60/823629460.db2.gz CHCZEXLEJXLHHH-UHFFFAOYSA-N 1 2 399.516 4.326 20 0 GIADLO COc1cc(C[N@@H+](C)Cc2nnc(-c3cc4c(s3)CCCC4)o2)cc(OC)c1 ZINC000461398787 823629463 /nfs/dbraw/zinc/62/94/63/823629463.db2.gz CHCZEXLEJXLHHH-UHFFFAOYSA-N 1 2 399.516 4.326 20 0 GIADLO CCc1nc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cs1 ZINC000190964956 823631601 /nfs/dbraw/zinc/63/16/01/823631601.db2.gz REGYSLWRJJOBQL-ZWNOBZJWSA-N 1 2 384.332 4.468 20 0 GIADLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000124870087 823632759 /nfs/dbraw/zinc/63/27/59/823632759.db2.gz WLTCTVZFPMKGHL-GJZGRUSLSA-N 1 2 378.480 4.008 20 0 GIADLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000124902906 823635523 /nfs/dbraw/zinc/63/55/23/823635523.db2.gz WQHLTVRYMSJGLP-WCQYABFASA-N 1 2 397.306 4.095 20 0 GIADLO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000124902906 823635527 /nfs/dbraw/zinc/63/55/27/823635527.db2.gz WQHLTVRYMSJGLP-WCQYABFASA-N 1 2 397.306 4.095 20 0 GIADLO COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000412204919 823635519 /nfs/dbraw/zinc/63/55/19/823635519.db2.gz PDWCEYCUJIEBNV-BDTNDASRSA-N 1 2 389.499 4.170 20 0 GIADLO CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000461432352 823635925 /nfs/dbraw/zinc/63/59/25/823635925.db2.gz UOMDTRYYQBHAPE-UHFFFAOYSA-N 1 2 375.472 4.389 20 0 GIADLO CC[N@@H+]1CC[C@@H](NC(=O)Cc2cnccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000412233861 823638117 /nfs/dbraw/zinc/63/81/17/823638117.db2.gz OWGDRZRZMJYLDA-IEBWSBKVSA-N 1 2 396.293 4.022 20 0 GIADLO CC[N@H+]1CC[C@@H](NC(=O)Cc2cnccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000412233861 823638119 /nfs/dbraw/zinc/63/81/19/823638119.db2.gz OWGDRZRZMJYLDA-IEBWSBKVSA-N 1 2 396.293 4.022 20 0 GIADLO COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000191038844 823641012 /nfs/dbraw/zinc/64/10/12/823641012.db2.gz FAZQYKSJKAQXIY-WBVHZDCISA-N 1 2 397.862 4.285 20 0 GIADLO Clc1ccccc1-c1nnc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)o1 ZINC000062649475 823643323 /nfs/dbraw/zinc/64/33/23/823643323.db2.gz CKSJWZRMXJOVMU-RMKNXTFCSA-N 1 2 394.906 4.221 20 0 GIADLO C[C@@H](c1ccc(Cl)cc1)[N@H+](CN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000063125073 823652059 /nfs/dbraw/zinc/65/20/59/823652059.db2.gz VLFQWLVLZKBELJ-AWEZNQCLSA-N 1 2 375.900 4.078 20 0 GIADLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000063125073 823652060 /nfs/dbraw/zinc/65/20/60/823652060.db2.gz VLFQWLVLZKBELJ-AWEZNQCLSA-N 1 2 375.900 4.078 20 0 GIADLO CCCCNC(=O)C1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000191233993 823661645 /nfs/dbraw/zinc/66/16/45/823661645.db2.gz JCOKSRKDWFCGRP-UHFFFAOYSA-N 1 2 393.778 4.292 20 0 GIADLO O=c1cc(C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)nc2ccccn12 ZINC000191250828 823663400 /nfs/dbraw/zinc/66/34/00/823663400.db2.gz JOKILHSIABMFRT-UHFFFAOYSA-N 1 2 393.796 4.146 20 0 GIADLO CC[C@@H](C)OCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000125291597 823665465 /nfs/dbraw/zinc/66/54/65/823665465.db2.gz UEEFENNDSNVMHU-GOSISDBHSA-N 1 2 377.488 4.030 20 0 GIADLO CCS[C@@H](C)c1noc(C[NH+]2CCC(Cc3ccc(OC)cc3)CC2)n1 ZINC000125320868 823667573 /nfs/dbraw/zinc/66/75/73/823667573.db2.gz RQJMDADMRBCVEL-HNNXBMFYSA-N 1 2 375.538 4.347 20 0 GIADLO C[C@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccc(OC(F)F)cc1 ZINC000125397685 823673111 /nfs/dbraw/zinc/67/31/11/823673111.db2.gz GZDVIIWYAOXTMP-NSHDSACASA-N 1 2 385.370 4.122 20 0 GIADLO Cn1cc[nH+]c1CCNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000063487561 823675475 /nfs/dbraw/zinc/67/54/75/823675475.db2.gz NINFRPIDYUAFAL-UHFFFAOYSA-N 1 2 388.496 4.183 20 0 GIADLO CC(C)[N@H+](Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1ccccc1 ZINC000063483747 823675549 /nfs/dbraw/zinc/67/55/49/823675549.db2.gz CMXDOKSHNYZYEY-UHFFFAOYSA-N 1 2 388.512 4.240 20 0 GIADLO CC(C)[N@@H+](Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1ccccc1 ZINC000063483747 823675553 /nfs/dbraw/zinc/67/55/53/823675553.db2.gz CMXDOKSHNYZYEY-UHFFFAOYSA-N 1 2 388.512 4.240 20 0 GIADLO CC(C)CCc1noc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000063492925 823675888 /nfs/dbraw/zinc/67/58/88/823675888.db2.gz BAAQZMJYOHEVAW-MRXNPFEDSA-N 1 2 376.932 4.190 20 0 GIADLO O[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1Cl ZINC000063581027 823680885 /nfs/dbraw/zinc/68/08/85/823680885.db2.gz NSUKZWUZMIZOTO-ZWKOTPCHSA-N 1 2 396.712 4.209 20 0 GIADLO O[C@@H](C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccccc1Cl ZINC000063581027 823680887 /nfs/dbraw/zinc/68/08/87/823680887.db2.gz NSUKZWUZMIZOTO-ZWKOTPCHSA-N 1 2 396.712 4.209 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCOc2ccc(Cl)cc2)n1 ZINC000191452264 823686830 /nfs/dbraw/zinc/68/68/30/823686830.db2.gz PICKXPHQVUMALQ-MRXNPFEDSA-N 1 2 380.897 4.189 20 0 GIADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCOc2ccc(Cl)cc2)n1 ZINC000191452264 823686832 /nfs/dbraw/zinc/68/68/32/823686832.db2.gz PICKXPHQVUMALQ-MRXNPFEDSA-N 1 2 380.897 4.189 20 0 GIADLO Cc1ccc(Sc2ncccc2C(=O)NCCNc2cccc[nH+]2)c(C)c1 ZINC000063705682 823690168 /nfs/dbraw/zinc/69/01/68/823690168.db2.gz CRSYDQDHCAAUCC-UHFFFAOYSA-N 1 2 378.501 4.087 20 0 GIADLO O=C(NCCNc1cccc[nH+]1)c1ccccc1OCc1ccccc1Cl ZINC000063707178 823690315 /nfs/dbraw/zinc/69/03/15/823690315.db2.gz AOHWITBPMWUMRK-UHFFFAOYSA-N 1 2 381.863 4.156 20 0 GIADLO Cc1ccc(CC[N@H+](CCS(=O)(=O)c2ccccc2)Cc2ccco2)cc1 ZINC000461754484 823692283 /nfs/dbraw/zinc/69/22/83/823692283.db2.gz ZUZJRUKCQKJXDB-UHFFFAOYSA-N 1 2 383.513 4.107 20 0 GIADLO Cc1ccc(CC[N@@H+](CCS(=O)(=O)c2ccccc2)Cc2ccco2)cc1 ZINC000461754484 823692287 /nfs/dbraw/zinc/69/22/87/823692287.db2.gz ZUZJRUKCQKJXDB-UHFFFAOYSA-N 1 2 383.513 4.107 20 0 GIADLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cc(-c2ccccc2)oc1=S ZINC000063730041 823692497 /nfs/dbraw/zinc/69/24/97/823692497.db2.gz VSRDJDJLIYHNFP-UHFFFAOYSA-N 1 2 379.485 4.455 20 0 GIADLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1cc(-c2ccccc2)oc1=S ZINC000063730041 823692498 /nfs/dbraw/zinc/69/24/98/823692498.db2.gz VSRDJDJLIYHNFP-UHFFFAOYSA-N 1 2 379.485 4.455 20 0 GIADLO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccc(C(C)C)cc3)CC2)s1 ZINC000125658524 823694278 /nfs/dbraw/zinc/69/42/78/823694278.db2.gz CBWAYQVPWHTESM-UHFFFAOYSA-N 1 2 399.560 4.013 20 0 GIADLO C[C@@H](c1nnc(SCCc2cncs2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000412981488 823696974 /nfs/dbraw/zinc/69/69/74/823696974.db2.gz HLIXCQCKUJCNLN-LBPRGKRZSA-N 1 2 393.969 4.335 20 0 GIADLO C[C@H](c1nnc(S[C@H]2CCOC(C)(C)C2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000412983385 823697302 /nfs/dbraw/zinc/69/73/02/823697302.db2.gz NHPFULMCOXNWHX-CJNGLKHVSA-N 1 2 378.517 4.079 20 0 GIADLO CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2)nnc1-c1ccccc1OC ZINC000191549043 823698431 /nfs/dbraw/zinc/69/84/31/823698431.db2.gz FGLQLPDRVPOBGS-UHFFFAOYSA-N 1 2 391.500 4.452 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3cc(F)c(Cl)cc3Cl)[nH+]cn2)C1 ZINC000413031633 823700493 /nfs/dbraw/zinc/70/04/93/823700493.db2.gz XZZDVQQECNCJPC-QJPTWQEYSA-N 1 2 399.297 4.303 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3cc(F)c(Cl)cc3Cl)nc[nH+]2)C1 ZINC000413031633 823700495 /nfs/dbraw/zinc/70/04/95/823700495.db2.gz XZZDVQQECNCJPC-QJPTWQEYSA-N 1 2 399.297 4.303 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc(Cl)cc3Cl)[nH+]cn2)C1 ZINC000413028628 823700523 /nfs/dbraw/zinc/70/05/23/823700523.db2.gz QCHHXBHHSXMFIS-AVGNSLFASA-N 1 2 381.307 4.164 20 0 GIADLO C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)c3ccc(Cl)cc3Cl)nc[nH+]2)C1 ZINC000413028628 823700524 /nfs/dbraw/zinc/70/05/24/823700524.db2.gz QCHHXBHHSXMFIS-AVGNSLFASA-N 1 2 381.307 4.164 20 0 GIADLO COc1cccc(-c2noc([C@@H](C)NCc3c[nH+]c(C)n3-c3ccccc3)n2)c1 ZINC000191565991 823700895 /nfs/dbraw/zinc/70/08/95/823700895.db2.gz BXTRVYBUKKGXIF-OAHLLOKOSA-N 1 2 389.459 4.090 20 0 GIADLO CCOC(=O)c1csc(C2CC[NH+](Cc3csc(C(C)(C)C)n3)CC2)n1 ZINC000191566387 823700902 /nfs/dbraw/zinc/70/09/02/823700902.db2.gz NUCZYRQPBZHHSL-UHFFFAOYSA-N 1 2 393.578 4.453 20 0 GIADLO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1Cl ZINC000191567983 823701375 /nfs/dbraw/zinc/70/13/75/823701375.db2.gz CKEVFYIGZVIAPO-OLZOCXBDSA-N 1 2 378.904 4.397 20 0 GIADLO CCc1c(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cnn1C(CC)CC ZINC000574328897 823703456 /nfs/dbraw/zinc/70/34/56/823703456.db2.gz SZHCBGVDZQDPJU-UHFFFAOYSA-N 1 2 379.508 4.233 20 0 GIADLO CS[C@H](C)CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000163374050 823704757 /nfs/dbraw/zinc/70/47/57/823704757.db2.gz PJEHFUGERGUXKI-QGZVFWFLSA-N 1 2 379.529 4.356 20 0 GIADLO CC(C)(CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccs1 ZINC000574387433 823716637 /nfs/dbraw/zinc/71/66/37/823716637.db2.gz ZJIWRFMLNFNWFX-UHFFFAOYSA-N 1 2 386.565 4.148 20 0 GIADLO C[C@H](CCc1ccccc1)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000574387348 823716715 /nfs/dbraw/zinc/71/67/15/823716715.db2.gz FBLINMNMZGUYEO-GOSISDBHSA-N 1 2 380.536 4.130 20 0 GIADLO C[C@@H]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000125819649 823719514 /nfs/dbraw/zinc/71/95/14/823719514.db2.gz UWRMQICXLILLKL-CRAIPNDOSA-N 1 2 398.894 4.234 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ncc(I)s1 ZINC000574409679 823722411 /nfs/dbraw/zinc/72/24/11/823722411.db2.gz WFZRSVDLEOWIBX-YPMHNXCESA-N 1 2 384.286 4.126 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ncc(I)s1 ZINC000574409679 823722418 /nfs/dbraw/zinc/72/24/18/823722418.db2.gz WFZRSVDLEOWIBX-YPMHNXCESA-N 1 2 384.286 4.126 20 0 GIADLO O=C(NC1CCCCC1)NC1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000063994938 823731198 /nfs/dbraw/zinc/73/11/98/823731198.db2.gz FFSWJGWYEDVIOQ-UHFFFAOYSA-N 1 2 390.597 4.397 20 0 GIADLO CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000413223100 823732163 /nfs/dbraw/zinc/73/21/63/823732163.db2.gz WKZFOGRIDHLMCP-FQEVSTJZSA-N 1 2 379.460 4.067 20 0 GIADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000125882359 823736226 /nfs/dbraw/zinc/73/62/26/823736226.db2.gz JXKWFIYMXJQJGG-VQIMIIECSA-N 1 2 398.869 4.079 20 0 GIADLO C[C@@H]1CN(c2[nH+]ccc3cc(Br)ccc32)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000413261287 823740657 /nfs/dbraw/zinc/74/06/57/823740657.db2.gz DSESYHNDAWURHR-LPMFXHHGSA-N 1 2 391.309 4.160 20 0 GIADLO COc1cccc(F)c1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000461894539 823742183 /nfs/dbraw/zinc/74/21/83/823742183.db2.gz KWQDAUBOFGWOHW-MRXNPFEDSA-N 1 2 394.849 4.194 20 0 GIADLO CC(C)c1ccc(CSCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000125916127 823743094 /nfs/dbraw/zinc/74/30/94/823743094.db2.gz ITPXORMQQGSFIB-UHFFFAOYSA-N 1 2 383.561 4.177 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cccc(Cl)c2Br)C[C@@H]1n1cc[nH+]c1 ZINC000191727624 823748696 /nfs/dbraw/zinc/74/86/96/823748696.db2.gz JRLZSKLKGKKQTG-FZMZJTMJSA-N 1 2 397.704 4.414 20 0 GIADLO Fc1ccc(COc2ccc(C[NH+]3CCN(CC(F)(F)F)CC3)cc2)cc1 ZINC000064139818 823753473 /nfs/dbraw/zinc/75/34/73/823753473.db2.gz NRUHRTPIHGEZDU-UHFFFAOYSA-N 1 2 382.401 4.085 20 0 GIADLO O=S(=O)(CCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000064140709 823753593 /nfs/dbraw/zinc/75/35/93/823753593.db2.gz MFPLGZOETLFMOG-IBGZPJMESA-N 1 2 381.900 4.480 20 0 GIADLO O=S(=O)(CCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000064140709 823753600 /nfs/dbraw/zinc/75/36/00/823753600.db2.gz MFPLGZOETLFMOG-IBGZPJMESA-N 1 2 381.900 4.480 20 0 GIADLO C[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(Br)c1 ZINC000461921991 823756709 /nfs/dbraw/zinc/75/67/09/823756709.db2.gz MUPYEDAMQNPUAX-AWEZNQCLSA-N 1 2 384.277 4.055 20 0 GIADLO Cc1cccc(NC(=O)C[NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)c1 ZINC000125972646 823756735 /nfs/dbraw/zinc/75/67/35/823756735.db2.gz YOBSEZGSFPYVPI-QHCPKHFHSA-N 1 2 384.483 4.199 20 0 GIADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000574583288 823772109 /nfs/dbraw/zinc/77/21/09/823772109.db2.gz TUYVGXOIQPUGJH-DIFFPNOSSA-N 1 2 394.288 4.148 20 0 GIADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000574583288 823772117 /nfs/dbraw/zinc/77/21/17/823772117.db2.gz TUYVGXOIQPUGJH-DIFFPNOSSA-N 1 2 394.288 4.148 20 0 GIADLO Cc1ccc(CN2CC[C@H]([NH2+]Cc3csc(-c4ccsc4)n3)C2=O)cc1 ZINC000191801055 823773002 /nfs/dbraw/zinc/77/30/02/823773002.db2.gz ALXPCIDNVMXVLC-SFHVURJKSA-N 1 2 383.542 4.071 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000126056857 823776790 /nfs/dbraw/zinc/77/67/90/823776790.db2.gz DDTCYRLCSPSUSJ-UHFFFAOYSA-N 1 2 397.906 4.143 20 0 GIADLO Cc1ccc(NC(=O)C[NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)cc1 ZINC000126063413 823778420 /nfs/dbraw/zinc/77/84/20/823778420.db2.gz MIVXZXPDWZGPHM-HSZRJFAPSA-N 1 2 384.483 4.199 20 0 GIADLO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000164109304 823778742 /nfs/dbraw/zinc/77/87/42/823778742.db2.gz HGJLDXPXTBSNMZ-GJZGRUSLSA-N 1 2 394.441 4.441 20 0 GIADLO CC[C@H](C)Oc1cccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000064244583 823779865 /nfs/dbraw/zinc/77/98/65/823779865.db2.gz QHTHLYGATKZGQN-KRWDZBQOSA-N 1 2 378.476 4.430 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc(-c2ccccc2)ns1 ZINC000461978351 823780059 /nfs/dbraw/zinc/78/00/59/823780059.db2.gz BHUMQKHTHRGIES-UHFFFAOYSA-N 1 2 390.468 4.338 20 0 GIADLO Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000461983245 823782091 /nfs/dbraw/zinc/78/20/91/823782091.db2.gz IZFRFRRVTHNRND-KRWDZBQOSA-N 1 2 378.472 4.064 20 0 GIADLO CC(=O)Nc1cccc(C[NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)c1 ZINC000126096512 823785999 /nfs/dbraw/zinc/78/59/99/823785999.db2.gz OBZVRCVPGIOUSW-QHCPKHFHSA-N 1 2 384.483 4.411 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(-c2ccccc2)ns1 ZINC000461992404 823786474 /nfs/dbraw/zinc/78/64/74/823786474.db2.gz IWDRWBUNVYFFHM-UHFFFAOYSA-N 1 2 378.432 4.065 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1csc(-c2cccs2)n1 ZINC000126113077 823791194 /nfs/dbraw/zinc/79/11/94/823791194.db2.gz VARXKQMWKHLVIX-UHFFFAOYSA-N 1 2 399.541 4.265 20 0 GIADLO C[C@@]1(Cc2ccccc2)CCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000462005585 823791739 /nfs/dbraw/zinc/79/17/39/823791739.db2.gz JWUJXCSDMNRLTN-DEOSSOPVSA-N 1 2 388.515 4.238 20 0 GIADLO CCc1ccc(C(C)(C)NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000462006370 823792347 /nfs/dbraw/zinc/79/23/47/823792347.db2.gz JLHONRWURVETBN-UHFFFAOYSA-N 1 2 376.504 4.228 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000126140930 823797862 /nfs/dbraw/zinc/79/78/62/823797862.db2.gz VUWDAWFBMURMKQ-VQTJNVASSA-N 1 2 384.907 4.223 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccccc2SCc2cscn2)C[C@H]1n1cc[nH+]c1 ZINC000126145709 823799482 /nfs/dbraw/zinc/79/94/82/823799482.db2.gz SZKSXMNKOWEFJK-MAUKXSAKSA-N 1 2 398.557 4.355 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000126170322 823804459 /nfs/dbraw/zinc/80/44/59/823804459.db2.gz FHICTGVCNWESOO-VQTJNVASSA-N 1 2 384.907 4.223 20 0 GIADLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1csc(-c2ccccc2Cl)n1 ZINC000574712270 823806335 /nfs/dbraw/zinc/80/63/35/823806335.db2.gz AIUMUYLDYKNGDC-UHFFFAOYSA-N 1 2 395.875 4.356 20 0 GIADLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000164572494 823809458 /nfs/dbraw/zinc/80/94/58/823809458.db2.gz DNUZSZMWBQQLJN-XMMPIXPASA-N 1 2 387.483 4.125 20 0 GIADLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000164572494 823809465 /nfs/dbraw/zinc/80/94/65/823809465.db2.gz DNUZSZMWBQQLJN-XMMPIXPASA-N 1 2 387.483 4.125 20 0 GIADLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2ccccc2)ns1 ZINC000462045461 823810249 /nfs/dbraw/zinc/81/02/49/823810249.db2.gz CJNXROKQUVTWEW-GOSISDBHSA-N 1 2 381.501 4.360 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000191927497 823813408 /nfs/dbraw/zinc/81/34/08/823813408.db2.gz CZIWQXHKJYMWMP-UHFFFAOYSA-N 1 2 398.429 4.173 20 0 GIADLO CC(C)c1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)nn1-c1ccccc1 ZINC000126239455 823818942 /nfs/dbraw/zinc/81/89/42/823818942.db2.gz LBOSXYHQICUHSP-UHFFFAOYSA-N 1 2 399.498 4.171 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000126250239 823820779 /nfs/dbraw/zinc/82/07/79/823820779.db2.gz UDQLUYWIMINHJN-UHFFFAOYSA-N 1 2 380.822 4.011 20 0 GIADLO C[C@@H](CC(=O)NCCCNc1cccc[nH+]1)c1ccc(F)c(Br)c1 ZINC000462078502 823821789 /nfs/dbraw/zinc/82/17/89/823821789.db2.gz YORRPRBOPPJBBW-ZDUSSCGKSA-N 1 2 394.288 4.095 20 0 GIADLO CC(C)OCc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000064534278 823838884 /nfs/dbraw/zinc/83/88/84/823838884.db2.gz LERJRIXHMILQRP-UHFFFAOYSA-N 1 2 382.508 4.319 20 0 GIADLO C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)CC(F)(F)F ZINC000413783767 823840842 /nfs/dbraw/zinc/84/08/42/823840842.db2.gz ZKZMHAFRDJUNAY-RRFJBIMHSA-N 1 2 387.446 4.006 20 0 GIADLO Cn1c[nH+]cc1CNC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000462157558 823848088 /nfs/dbraw/zinc/84/80/88/823848088.db2.gz OXMGKCRUKPEVFP-HXUWFJFHSA-N 1 2 380.879 4.083 20 0 GIADLO COc1ccc([C@@H]([NH2+]CC(=O)N[C@H](C)C(C)C)c2ccccc2Cl)c(C)c1 ZINC000462169823 823851960 /nfs/dbraw/zinc/85/19/60/823851960.db2.gz IKLUZSXXAFNJSA-OPAMFIHVSA-N 1 2 388.939 4.497 20 0 GIADLO Cc1sc(-c2ccco2)nc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000574891756 823853208 /nfs/dbraw/zinc/85/32/08/823853208.db2.gz HYNAWTXGXQQVGV-UHFFFAOYSA-N 1 2 396.516 4.264 20 0 GIADLO C[N@H+](CCC(F)(F)F)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000064635782 823855901 /nfs/dbraw/zinc/85/59/01/823855901.db2.gz MMUZXWWTRQBJAW-UHFFFAOYSA-N 1 2 382.348 4.081 20 0 GIADLO C[N@@H+](CCC(F)(F)F)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000064635782 823855904 /nfs/dbraw/zinc/85/59/04/823855904.db2.gz MMUZXWWTRQBJAW-UHFFFAOYSA-N 1 2 382.348 4.081 20 0 GIADLO O=C(C[N@@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)NC1CC1 ZINC000064632484 823855909 /nfs/dbraw/zinc/85/59/09/823855909.db2.gz HVVGPKSBWLQVIS-UHFFFAOYSA-N 1 2 378.394 4.208 20 0 GIADLO O=C(C[N@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)NC1CC1 ZINC000064632484 823855912 /nfs/dbraw/zinc/85/59/12/823855912.db2.gz HVVGPKSBWLQVIS-UHFFFAOYSA-N 1 2 378.394 4.208 20 0 GIADLO Cc1ccccc1-c1nc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)no1 ZINC000192105586 823861526 /nfs/dbraw/zinc/86/15/26/823861526.db2.gz ZXVFTGUTIMXVRT-MJGOQNOKSA-N 1 2 387.842 4.457 20 0 GIADLO COCC1CC[NH+](Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)CC1 ZINC000165839452 823864086 /nfs/dbraw/zinc/86/40/86/823864086.db2.gz IOLKDVOIHAPZBD-UHFFFAOYSA-N 1 2 387.549 4.303 20 0 GIADLO C[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000574948763 823869010 /nfs/dbraw/zinc/86/90/10/823869010.db2.gz QEWYLWOZGKUUPT-LIRRHRJNSA-N 1 2 385.427 4.184 20 0 GIADLO O=C(NCCNc1cccc[nH+]1)Nc1ccc(OCc2ccccc2F)cc1 ZINC000064717234 823870118 /nfs/dbraw/zinc/87/01/18/823870118.db2.gz GEIODLFMEHJBBJ-UHFFFAOYSA-N 1 2 380.423 4.033 20 0 GIADLO O=C(NCCCNc1cccc[nH+]1)Nc1ccc(OCc2ccccc2F)cc1 ZINC000064717018 823870213 /nfs/dbraw/zinc/87/02/13/823870213.db2.gz MEDVYCNPHJWWLI-UHFFFAOYSA-N 1 2 394.450 4.423 20 0 GIADLO CO[C@]1(C)C[C@H]([N@H+](C)Cc2csc(N(C(C)=O)c3ccccc3)n2)C1(C)C ZINC000166214710 823872792 /nfs/dbraw/zinc/87/27/92/823872792.db2.gz ISGRHBMMQZEAIL-GHTZIAJQSA-N 1 2 387.549 4.463 20 0 GIADLO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2csc(N(C(C)=O)c3ccccc3)n2)C1(C)C ZINC000166214710 823872794 /nfs/dbraw/zinc/87/27/94/823872794.db2.gz ISGRHBMMQZEAIL-GHTZIAJQSA-N 1 2 387.549 4.463 20 0 GIADLO COc1cccc([C@@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)c2ccccc2Cl)c1 ZINC000462241157 823891959 /nfs/dbraw/zinc/89/19/59/823891959.db2.gz YPHOFENJJXIGSR-OPAMFIHVSA-N 1 2 386.923 4.286 20 0 GIADLO C[C@H]1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000126530858 823892266 /nfs/dbraw/zinc/89/22/66/823892266.db2.gz FMCRHDRCBUCYEA-YOEHRIQHSA-N 1 2 390.325 4.033 20 0 GIADLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192197620 823898497 /nfs/dbraw/zinc/89/84/97/823898497.db2.gz BTENTFGZBDRGOQ-CQSZACIVSA-N 1 2 383.721 4.442 20 0 GIADLO O=C(Cc1ccc2c(c1)CCCO2)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000575047295 823898899 /nfs/dbraw/zinc/89/88/99/823898899.db2.gz KYOSFACQVQWNBL-UHFFFAOYSA-N 1 2 385.467 4.108 20 0 GIADLO O=C(N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000168161531 823900794 /nfs/dbraw/zinc/90/07/94/823900794.db2.gz MMYXHEMGIDXJJG-MSOLQXFVSA-N 1 2 385.471 4.205 20 0 GIADLO Cc1c([C@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)nnn1-c1ccc(F)cc1 ZINC000168615775 823905029 /nfs/dbraw/zinc/90/50/29/823905029.db2.gz WYZHQNJBGFAWKL-ZDUSSCGKSA-N 1 2 390.409 4.475 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)s1 ZINC000414084952 823905660 /nfs/dbraw/zinc/90/56/60/823905660.db2.gz YGMRHKBNBKJGER-GHMZBOCLSA-N 1 2 388.411 4.283 20 0 GIADLO C[C@H]1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000126594741 823907573 /nfs/dbraw/zinc/90/75/73/823907573.db2.gz BUGGFTSPQVVNGU-XHDPSFHLSA-N 1 2 377.275 4.395 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCc1cccc(Br)c1 ZINC000192247328 823915838 /nfs/dbraw/zinc/91/58/38/823915838.db2.gz PRQIBCTYGKGYSB-UHFFFAOYSA-N 1 2 392.341 4.079 20 0 GIADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000575118346 823916857 /nfs/dbraw/zinc/91/68/57/823916857.db2.gz RUSQNPRMEUMAGU-YLJYHZDGSA-N 1 2 381.426 4.404 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccnc1SC(F)(F)F ZINC000192251189 823917057 /nfs/dbraw/zinc/91/70/57/823917057.db2.gz HYPQTKPFYFLAMQ-UHFFFAOYSA-N 1 2 386.443 4.005 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnc(-c2ccc(OC)cc2)s1 ZINC000192250585 823917139 /nfs/dbraw/zinc/91/71/39/823917139.db2.gz WZLYGHRTWAUYJG-UHFFFAOYSA-N 1 2 398.532 4.130 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000462305689 823918484 /nfs/dbraw/zinc/91/84/84/823918484.db2.gz LSHFAGXJBUKYNN-LPHOPBHVSA-N 1 2 385.533 4.050 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCCOc3ccccc32)CC1 ZINC000462305691 823918652 /nfs/dbraw/zinc/91/86/52/823918652.db2.gz LSHFAGXJBUKYNN-VQIMIIECSA-N 1 2 385.533 4.050 20 0 GIADLO CCOc1cccc([C@H](C)NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000462306147 823918911 /nfs/dbraw/zinc/91/89/11/823918911.db2.gz PLMAXVBGZBXPND-DLBZAZTESA-N 1 2 387.549 4.296 20 0 GIADLO Cc1[nH]c2ccccc2c1CCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462306668 823919078 /nfs/dbraw/zinc/91/90/78/823919078.db2.gz SCTRVYLFTKKWHK-QGZVFWFLSA-N 1 2 396.560 4.169 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000192257163 823919492 /nfs/dbraw/zinc/91/94/92/823919492.db2.gz ZIENFJTXAYIZGU-UHFFFAOYSA-N 1 2 385.899 4.041 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1sc(-c2ccccc2)nc1C ZINC000192260305 823920615 /nfs/dbraw/zinc/92/06/15/823920615.db2.gz LGMVJJLGQIMQPJ-UHFFFAOYSA-N 1 2 382.533 4.430 20 0 GIADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3ccc(OC)cc3)c2C1 ZINC000170564821 823921020 /nfs/dbraw/zinc/92/10/20/823921020.db2.gz YWXQQQNKIHNMJD-MRXNPFEDSA-N 1 2 389.499 4.112 20 0 GIADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3ccc(OC)cc3)c2C1 ZINC000170564821 823921030 /nfs/dbraw/zinc/92/10/30/823921030.db2.gz YWXQQQNKIHNMJD-MRXNPFEDSA-N 1 2 389.499 4.112 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCC[C@@]2(C1)Nc1ccccc1C(=O)N2Cc1ccco1 ZINC000414167469 823921650 /nfs/dbraw/zinc/92/16/50/823921650.db2.gz PGFGLYVBIRDOSH-OPAMFIHVSA-N 1 2 376.460 4.135 20 0 GIADLO CCCn1c(C)c(C(=O)NCc2[nH+]cc(C)c(OC)c2C)c2cc(OC)ccc21 ZINC000064997962 823923064 /nfs/dbraw/zinc/92/30/64/823923064.db2.gz CYUQXKSPUKKCSO-UHFFFAOYSA-N 1 2 395.503 4.319 20 0 GIADLO CCCC1CCC(N(C)C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000192273541 823927049 /nfs/dbraw/zinc/92/70/49/823927049.db2.gz ACXCVVQBGZMHTA-UHFFFAOYSA-N 1 2 396.535 4.343 20 0 GIADLO C[C@H](CC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)n1cc[nH+]c1 ZINC000575186049 823933735 /nfs/dbraw/zinc/93/37/35/823933735.db2.gz SEGQKVLZROQFGR-FZKQIMNGSA-N 1 2 376.298 4.254 20 0 GIADLO Fc1cc(Br)cc2c1CC[C@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414232519 823934628 /nfs/dbraw/zinc/93/46/28/823934628.db2.gz CZTHKQFHICNLQD-GFCCVEGCSA-N 1 2 390.178 4.174 20 0 GIADLO FC(F)(F)c1ccnc(C[NH2+][C@H]2CCCc3ccc(Br)cc32)n1 ZINC000414235898 823935445 /nfs/dbraw/zinc/93/54/45/823935445.db2.gz HQAAYUGXKFRTPB-ZDUSSCGKSA-N 1 2 386.215 4.425 20 0 GIADLO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc(F)c(Br)c1 ZINC000414235227 823935677 /nfs/dbraw/zinc/93/56/77/823935677.db2.gz GZDDVVIKAYRIFC-QMMMGPOBSA-N 1 2 378.167 4.248 20 0 GIADLO FC(F)(F)c1ccnc(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)n1 ZINC000414237099 823936685 /nfs/dbraw/zinc/93/66/85/823936685.db2.gz ITKPGRFIDCOZNC-CYBMUJFWSA-N 1 2 386.215 4.425 20 0 GIADLO CC[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccccc1Br ZINC000414253407 823942148 /nfs/dbraw/zinc/94/21/48/823942148.db2.gz ZGHWJJGYYONPFH-MRXNPFEDSA-N 1 2 382.323 4.094 20 0 GIADLO CC[C@@H](C)[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000575218076 823942580 /nfs/dbraw/zinc/94/25/80/823942580.db2.gz QJNTYEBLEMRUGW-HZPDHXFCSA-N 1 2 392.341 4.357 20 0 GIADLO COc1ccccc1-c1nc(C2CC[NH+](Cc3cnc(Cl)s3)CC2)no1 ZINC000192338494 823951345 /nfs/dbraw/zinc/95/13/45/823951345.db2.gz FFUAQGVMBFWZKI-UHFFFAOYSA-N 1 2 390.896 4.235 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)CCC(=O)c2ccc(CC(C)C)cc2)c1C ZINC000065164206 823955516 /nfs/dbraw/zinc/95/55/16/823955516.db2.gz ACJDENLUNROIDC-UHFFFAOYSA-N 1 2 382.504 4.185 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000192351512 823956061 /nfs/dbraw/zinc/95/60/61/823956061.db2.gz BXNCTRQWRGSVST-IFMALSPDSA-N 1 2 398.551 4.035 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000192351507 823956208 /nfs/dbraw/zinc/95/62/08/823956208.db2.gz BXNCTRQWRGSVST-RBBKRZOGSA-N 1 2 398.551 4.035 20 0 GIADLO Oc1cccc2c1CC[C@H]2[NH2+]Cc1c(Br)cncc1Br ZINC000414324517 823958406 /nfs/dbraw/zinc/95/84/06/823958406.db2.gz IQAVFENKIWNOTO-CQSZACIVSA-N 1 2 398.098 4.089 20 0 GIADLO CO[C@H](C)c1noc(C[NH2+][C@](C)(c2ccc(Br)cc2)C(C)C)n1 ZINC000192373725 823963778 /nfs/dbraw/zinc/96/37/78/823963778.db2.gz ZJLFKBOHCBCIBO-PXAZEXFGSA-N 1 2 382.302 4.201 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000192382741 823966617 /nfs/dbraw/zinc/96/66/17/823966617.db2.gz VYDOREMASXHOOM-LJQANCHMSA-N 1 2 397.548 4.113 20 0 GIADLO CCc1ncc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cn1 ZINC000414368674 823966989 /nfs/dbraw/zinc/96/69/89/823966989.db2.gz HPGVENLGUWVCPX-JOCHJYFZSA-N 1 2 395.528 4.265 20 0 GIADLO CCc1ncc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cn1 ZINC000414368674 823966993 /nfs/dbraw/zinc/96/69/93/823966993.db2.gz HPGVENLGUWVCPX-JOCHJYFZSA-N 1 2 395.528 4.265 20 0 GIADLO C[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)CC(F)(F)F ZINC000414408558 823974279 /nfs/dbraw/zinc/97/42/79/823974279.db2.gz MQPVCSOCAMBOSQ-RYUDHWBXSA-N 1 2 378.464 4.085 20 0 GIADLO C[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)CC(F)(F)F ZINC000414408558 823974282 /nfs/dbraw/zinc/97/42/82/823974282.db2.gz MQPVCSOCAMBOSQ-RYUDHWBXSA-N 1 2 378.464 4.085 20 0 GIADLO Cc1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc(C)c1Br ZINC000192417546 823980417 /nfs/dbraw/zinc/98/04/17/823980417.db2.gz WBTNJDWBYYNJMV-UHFFFAOYSA-N 1 2 377.286 4.131 20 0 GIADLO C[N@H+](Cc1csc(-c2ccccc2F)n1)Cc1ccccc1N1CCOCC1 ZINC000170870979 823995691 /nfs/dbraw/zinc/99/56/91/823995691.db2.gz PZVUCZCYSGJXOC-UHFFFAOYSA-N 1 2 397.519 4.418 20 0 GIADLO C[N@@H+](Cc1csc(-c2ccccc2F)n1)Cc1ccccc1N1CCOCC1 ZINC000170870979 823995694 /nfs/dbraw/zinc/99/56/94/823995694.db2.gz PZVUCZCYSGJXOC-UHFFFAOYSA-N 1 2 397.519 4.418 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)cs1 ZINC000126991494 823995784 /nfs/dbraw/zinc/99/57/84/823995784.db2.gz YBJPDOIWDQRPPX-LJQANCHMSA-N 1 2 386.565 4.447 20 0 GIADLO CCN(C(C)=O)c1nc(C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)cs1 ZINC000126991494 823995790 /nfs/dbraw/zinc/99/57/90/823995790.db2.gz YBJPDOIWDQRPPX-LJQANCHMSA-N 1 2 386.565 4.447 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126994004 823996880 /nfs/dbraw/zinc/99/68/80/823996880.db2.gz CFTDNTAFNNDZJE-HXUWFJFHSA-N 1 2 390.535 4.210 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126994004 823996885 /nfs/dbraw/zinc/99/68/85/823996885.db2.gz CFTDNTAFNNDZJE-HXUWFJFHSA-N 1 2 390.535 4.210 20 0 GIADLO O=C(NCc1ccoc1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000170878973 823998909 /nfs/dbraw/zinc/99/89/09/823998909.db2.gz FEYWDGDSKHFAGD-UHFFFAOYSA-N 1 2 386.455 4.191 20 0 GIADLO Cc1cc(C)c(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000192471248 824004042 /nfs/dbraw/zinc/00/40/42/824004042.db2.gz WUDLVGDGHDQTNY-UHFFFAOYSA-N 1 2 382.479 4.284 20 0 GIADLO CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192472530 824004373 /nfs/dbraw/zinc/00/43/73/824004373.db2.gz JZSRBQRVMHCGRD-UHFFFAOYSA-N 1 2 382.479 4.483 20 0 GIADLO CN(C[C@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C1)C(=O)OC(C)(C)C ZINC000170930178 824007431 /nfs/dbraw/zinc/00/74/31/824007431.db2.gz PRYSSXHVJJCVEE-CQSZACIVSA-N 1 2 394.466 4.120 20 0 GIADLO CN(C[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1)C(=O)OC(C)(C)C ZINC000170930178 824007434 /nfs/dbraw/zinc/00/74/34/824007434.db2.gz PRYSSXHVJJCVEE-CQSZACIVSA-N 1 2 394.466 4.120 20 0 GIADLO c1ccc(Cc2noc(C[NH+]3CCC(c4nc5c(s4)CCCC5)CC3)n2)cc1 ZINC000575863350 824015568 /nfs/dbraw/zinc/01/55/68/824015568.db2.gz HQCWYSLJPHPECP-UHFFFAOYSA-N 1 2 394.544 4.375 20 0 GIADLO Cc1nc([C@@H](C)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)no1 ZINC000575909633 824026998 /nfs/dbraw/zinc/02/69/98/824026998.db2.gz MTLCQNNZLOKKEZ-IIBYNOLFSA-N 1 2 396.922 4.500 20 0 GIADLO C[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1cccc(Cl)c1 ZINC000171018047 824038600 /nfs/dbraw/zinc/03/86/00/824038600.db2.gz OXLYDUBXJCKWKZ-UHFFFAOYSA-N 1 2 382.645 4.378 20 0 GIADLO C[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1cccc(Cl)c1 ZINC000171018047 824038605 /nfs/dbraw/zinc/03/86/05/824038605.db2.gz OXLYDUBXJCKWKZ-UHFFFAOYSA-N 1 2 382.645 4.378 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc(F)cc1F ZINC000008516943 221042935 /nfs/dbraw/zinc/04/29/35/221042935.db2.gz LVDVVBIFPXRGEU-UHFFFAOYSA-N 1 2 385.439 4.232 20 0 GIADLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc(F)cc1F ZINC000008516943 221042939 /nfs/dbraw/zinc/04/29/39/221042939.db2.gz LVDVVBIFPXRGEU-UHFFFAOYSA-N 1 2 385.439 4.232 20 0 GIADLO Fc1ccc(-n2c(C[NH+]3CCCCC3)nnc2SCCOC2CCC2)cc1 ZINC000570537358 823051424 /nfs/dbraw/zinc/05/14/24/823051424.db2.gz BEIKVPVAOLURPF-UHFFFAOYSA-N 1 2 390.528 4.054 20 0 GIADLO Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1Br ZINC000120721752 823052467 /nfs/dbraw/zinc/05/24/67/823052467.db2.gz HUKXOKSVRUDIAO-UHFFFAOYSA-N 1 2 389.297 4.074 20 0 GIADLO CC(C)Cc1ccc(C(=O)CCC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000120728173 823053540 /nfs/dbraw/zinc/05/35/40/823053540.db2.gz LXELGRYKCNFIHA-HXUWFJFHSA-N 1 2 395.547 4.063 20 0 GIADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000570554817 823053603 /nfs/dbraw/zinc/05/36/03/823053603.db2.gz BFDLCEOWLHRKRX-NHYWBVRUSA-N 1 2 378.263 4.248 20 0 GIADLO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000570554817 823053610 /nfs/dbraw/zinc/05/36/10/823053610.db2.gz BFDLCEOWLHRKRX-NHYWBVRUSA-N 1 2 378.263 4.248 20 0 GIADLO C[C@H](CC(=O)N1CCC(c2ccccc2Br)CC1)n1cc[nH+]c1 ZINC000570573448 823056276 /nfs/dbraw/zinc/05/62/76/823056276.db2.gz NKRLHPNBAZNISC-CQSZACIVSA-N 1 2 376.298 4.003 20 0 GIADLO C[C@@H](CC(=O)N1CCCc2c(Br)ccc(Cl)c21)n1cc[nH+]c1 ZINC000570573677 823056346 /nfs/dbraw/zinc/05/63/46/823056346.db2.gz QYTKUKHVVOIKIM-NSHDSACASA-N 1 2 382.689 4.230 20 0 GIADLO O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120769803 823060575 /nfs/dbraw/zinc/06/05/75/823060575.db2.gz ZZLZZKZORHLGSX-HNNXBMFYSA-N 1 2 391.452 4.245 20 0 GIADLO O=C(Nc1cccc(-c2cccs2)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000175882192 823062830 /nfs/dbraw/zinc/06/28/30/823062830.db2.gz WVEAZKMZUAHXLR-LJQANCHMSA-N 1 2 385.533 4.134 20 0 GIADLO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2Br)cc1F ZINC000055899453 823063671 /nfs/dbraw/zinc/06/36/71/823063671.db2.gz YUJIJLUVKFRJCW-UHFFFAOYSA-N 1 2 398.272 4.246 20 0 GIADLO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2Br)cc1F ZINC000055899453 823063675 /nfs/dbraw/zinc/06/36/75/823063675.db2.gz YUJIJLUVKFRJCW-UHFFFAOYSA-N 1 2 398.272 4.246 20 0 GIADLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000120800424 823066643 /nfs/dbraw/zinc/06/66/43/823066643.db2.gz KMHKCYKKFKKMEC-INIZCTEOSA-N 1 2 388.458 4.452 20 0 GIADLO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)s1 ZINC000570685997 823072066 /nfs/dbraw/zinc/07/20/66/823072066.db2.gz FJECYPIEKXLOKJ-AWEZNQCLSA-N 1 2 386.908 4.093 20 0 GIADLO Cc1cc(Br)cc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000187506181 823076980 /nfs/dbraw/zinc/07/69/80/823076980.db2.gz HZUMKBYTKJEABQ-UHFFFAOYSA-N 1 2 389.297 4.074 20 0 GIADLO O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120859407 823078487 /nfs/dbraw/zinc/07/84/87/823078487.db2.gz OMXFYZXDYRQZPL-ARFHVFGLSA-N 1 2 377.271 4.172 20 0 GIADLO COc1ccc([C@@H](C)[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1NC(C)=O ZINC000120861399 823078749 /nfs/dbraw/zinc/07/87/49/823078749.db2.gz QAAQARNOGBEMCX-VGSWGCGISA-N 1 2 381.520 4.141 20 0 GIADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000056014041 823078929 /nfs/dbraw/zinc/07/89/29/823078929.db2.gz VPNHEDGXBBATSI-UHFFFAOYSA-N 1 2 381.863 4.213 20 0 GIADLO COCC[N@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)Cc1ccccn1 ZINC000570761630 823082814 /nfs/dbraw/zinc/08/28/14/823082814.db2.gz BSNMPFOXEMPULK-UHFFFAOYSA-N 1 2 378.520 4.213 20 0 GIADLO COCC[N@@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)Cc1ccccn1 ZINC000570761630 823082816 /nfs/dbraw/zinc/08/28/16/823082816.db2.gz BSNMPFOXEMPULK-UHFFFAOYSA-N 1 2 378.520 4.213 20 0 GIADLO CCc1oc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)cc1C(=O)OC ZINC000570767907 823084435 /nfs/dbraw/zinc/08/44/35/823084435.db2.gz WCDIETQUGCUKDO-JTQLQIEISA-N 1 2 384.245 4.381 20 0 GIADLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1nc2cc(C)ccc2n1C ZINC000187576367 823091154 /nfs/dbraw/zinc/09/11/54/823091154.db2.gz PSROWCICVFXLSF-UHFFFAOYSA-N 1 2 379.895 4.319 20 0 GIADLO CCCOc1ccc(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000120955444 823092611 /nfs/dbraw/zinc/09/26/11/823092611.db2.gz WDODXQPRVQHNMV-UHFFFAOYSA-N 1 2 380.448 4.395 20 0 GIADLO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)n2C ZINC000187585858 823093264 /nfs/dbraw/zinc/09/32/64/823093264.db2.gz WRTSVAZUXQHVDQ-SFHVURJKSA-N 1 2 399.922 4.383 20 0 GIADLO C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000570836907 823093502 /nfs/dbraw/zinc/09/35/02/823093502.db2.gz XMZIBLAMKWSSOS-MMQADKFZSA-N 1 2 375.472 4.001 20 0 GIADLO C[C@H](CCCc1cccnc1)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458893133 823102705 /nfs/dbraw/zinc/10/27/05/823102705.db2.gz XEUZBPJSSYMPCL-MRXNPFEDSA-N 1 2 397.910 4.131 20 0 GIADLO C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000176028476 823099537 /nfs/dbraw/zinc/09/95/37/823099537.db2.gz YBVYRRSEXDONEZ-XDHUDOTRSA-N 1 2 389.499 4.380 20 0 GIADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N(Cc1cccs1)C1CC1 ZINC000458878453 823100697 /nfs/dbraw/zinc/10/06/97/823100697.db2.gz IHKOLQRITHZYHE-UHFFFAOYSA-N 1 2 386.908 4.461 20 0 GIADLO CN(C)c1noc([C@H]2CCCN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)C2)n1 ZINC000570897958 823104762 /nfs/dbraw/zinc/10/47/62/823104762.db2.gz DYCIEWIBEDAJOU-ZDUSSCGKSA-N 1 2 391.397 4.087 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C/C=C/c2ccc(F)cc2)C[C@@H](C)O1 ZINC000176044835 823105258 /nfs/dbraw/zinc/10/52/58/823105258.db2.gz XFYKXAGHRUWMRV-PJHKVULZSA-N 1 2 382.479 4.477 20 0 GIADLO c1oc(-c2ccccc2)nc1CN1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000121030332 823106035 /nfs/dbraw/zinc/10/60/35/823106035.db2.gz CCVCZYLJDGLJJP-UHFFFAOYSA-N 1 2 384.483 4.339 20 0 GIADLO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+]([C@@H](C)c4cccnc4)CC3)o2)cc1C ZINC000121076971 823114010 /nfs/dbraw/zinc/11/40/10/823114010.db2.gz SZVLOYTZBWASNF-RBUKOAKNSA-N 1 2 391.519 4.188 20 0 GIADLO O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000459016475 823117019 /nfs/dbraw/zinc/11/70/19/823117019.db2.gz PMSCWJSVVRRNJD-GOSISDBHSA-N 1 2 376.863 4.173 20 0 GIADLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3C(F)(F)F)c2C1 ZINC000187746350 823124344 /nfs/dbraw/zinc/12/43/44/823124344.db2.gz NJHMJEDLAQFAIS-UHFFFAOYSA-N 1 2 398.450 4.371 20 0 GIADLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3C(F)(F)F)c2C1 ZINC000187746350 823124345 /nfs/dbraw/zinc/12/43/45/823124345.db2.gz NJHMJEDLAQFAIS-UHFFFAOYSA-N 1 2 398.450 4.371 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2nc(C(C)(C)C)cs2)CC1 ZINC000121114164 823120917 /nfs/dbraw/zinc/12/09/17/823120917.db2.gz PFICCGNTFCUZFH-CQSZACIVSA-N 1 2 392.594 4.091 20 0 GIADLO COc1ccc(CN(C(=O)NCc2c[nH+]c(C)cc2C)[C@H](C)C2CC2)c(OC)c1 ZINC000459075082 823124630 /nfs/dbraw/zinc/12/46/30/823124630.db2.gz KQNZOTJJEYVDDA-QGZVFWFLSA-N 1 2 397.519 4.226 20 0 GIADLO Cc1[nH]c2ccc(NC(=O)CSCc3coc(-c4ccccc4)n3)cc2[nH+]1 ZINC000056309530 823124974 /nfs/dbraw/zinc/12/49/74/823124974.db2.gz SVHYCHSHVKRDJS-UHFFFAOYSA-N 1 2 378.457 4.398 20 0 GIADLO Cc1[nH]c2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)cc2[nH+]1 ZINC000056309654 823124995 /nfs/dbraw/zinc/12/49/95/823124995.db2.gz QHVPJLXDPCQICK-INIZCTEOSA-N 1 2 391.475 4.062 20 0 GIADLO C[N@H+](CCC1CCOCC1)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S ZINC000121151207 823128082 /nfs/dbraw/zinc/12/80/82/823128082.db2.gz FOPAACKXKJNUCE-UHFFFAOYSA-N 1 2 390.528 4.261 20 0 GIADLO C[N@@H+](CCC1CCOCC1)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S ZINC000121151207 823128086 /nfs/dbraw/zinc/12/80/86/823128086.db2.gz FOPAACKXKJNUCE-UHFFFAOYSA-N 1 2 390.528 4.261 20 0 GIADLO Cc1cc(C)c(CNC(=O)N2CCC(c3nc4ccccc4s3)CC2)c[nH+]1 ZINC000459106502 823128631 /nfs/dbraw/zinc/12/86/31/823128631.db2.gz CNSHAPLHMBFSFT-UHFFFAOYSA-N 1 2 380.517 4.397 20 0 GIADLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1c(F)cccc1Cl ZINC000176147606 823135925 /nfs/dbraw/zinc/13/59/25/823135925.db2.gz CIYROLKBOXGKNM-GJZGRUSLSA-N 1 2 390.890 4.024 20 0 GIADLO COCc1noc([C@H](C)[NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)n1 ZINC000187841163 823144255 /nfs/dbraw/zinc/14/42/55/823144255.db2.gz HWSSCORKUQVEMT-ZDUSSCGKSA-N 1 2 399.413 4.087 20 0 GIADLO COC(=O)c1cc(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)oc1C ZINC000121252709 823148086 /nfs/dbraw/zinc/14/80/86/823148086.db2.gz DUFHBPALROYOGU-OAQYLSRUSA-N 1 2 383.419 4.402 20 0 GIADLO C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000571208679 823149018 /nfs/dbraw/zinc/14/90/18/823149018.db2.gz YZYCXYLVMXBJBU-CQSZACIVSA-N 1 2 388.512 4.419 20 0 GIADLO c1cc([C@H]2CCC[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)[nH]n1 ZINC000121256762 823149319 /nfs/dbraw/zinc/14/93/19/823149319.db2.gz MQEJRKCEZZLFGF-NRFANRHFSA-N 1 2 398.514 4.096 20 0 GIADLO c1cc([C@H]2CCC[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)[nH]n1 ZINC000121256762 823149323 /nfs/dbraw/zinc/14/93/23/823149323.db2.gz MQEJRKCEZZLFGF-NRFANRHFSA-N 1 2 398.514 4.096 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Br ZINC000571238925 823153867 /nfs/dbraw/zinc/15/38/67/823153867.db2.gz IOXOFSQBEIEDOQ-OAHLLOKOSA-N 1 2 390.281 4.146 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000056523303 823161605 /nfs/dbraw/zinc/16/16/05/823161605.db2.gz MSTDMAJAMUTJBW-UHFFFAOYSA-N 1 2 376.338 4.093 20 0 GIADLO Cc1ccc(Oc2ccccc2CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000571280961 823159956 /nfs/dbraw/zinc/15/99/56/823159956.db2.gz LKQWRMSNDJKUPN-UHFFFAOYSA-N 1 2 375.472 4.459 20 0 GIADLO Cc1ccc(Oc2ccccc2CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000571280961 823159962 /nfs/dbraw/zinc/15/99/62/823159962.db2.gz LKQWRMSNDJKUPN-UHFFFAOYSA-N 1 2 375.472 4.459 20 0 GIADLO C[C@@H](CC(=O)N1CCCc2c(Cl)ccc(Br)c21)n1cc[nH+]c1 ZINC000571289286 823160621 /nfs/dbraw/zinc/16/06/21/823160621.db2.gz WQSFEGSQPDAWPR-NSHDSACASA-N 1 2 382.689 4.230 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000056555008 823168542 /nfs/dbraw/zinc/16/85/42/823168542.db2.gz WZCUDLDDWWWLAR-UHFFFAOYSA-N 1 2 390.443 4.236 20 0 GIADLO CCN(C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000459363030 823172618 /nfs/dbraw/zinc/17/26/18/823172618.db2.gz RCECETJRJNEFJW-ROUUACIJSA-N 1 2 397.519 4.363 20 0 GIADLO COC(=O)c1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c(C)o1 ZINC000571380833 823175250 /nfs/dbraw/zinc/17/52/50/823175250.db2.gz ASKKDQUMVVUCHS-KZULUSFZSA-N 1 2 397.393 4.355 20 0 GIADLO COC(=O)c1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)c(C)o1 ZINC000571380833 823175253 /nfs/dbraw/zinc/17/52/53/823175253.db2.gz ASKKDQUMVVUCHS-KZULUSFZSA-N 1 2 397.393 4.355 20 0 GIADLO COc1ccc(Nc2ccccc2C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121389280 823175835 /nfs/dbraw/zinc/17/58/35/823175835.db2.gz QLXBGXBXGOQHCF-FQEVSTJZSA-N 1 2 389.455 4.127 20 0 GIADLO COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000459388222 823180297 /nfs/dbraw/zinc/18/02/97/823180297.db2.gz ORVAJJHRJQHVOP-QZTJIDSGSA-N 1 2 397.519 4.280 20 0 GIADLO COc1ccc(C)cc1[C@H](C)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000459388223 823180332 /nfs/dbraw/zinc/18/03/32/823180332.db2.gz ORVAJJHRJQHVOP-ROUUACIJSA-N 1 2 397.519 4.280 20 0 GIADLO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000459390027 823180882 /nfs/dbraw/zinc/18/08/82/823180882.db2.gz RVPIDDNGMWEZSP-ROUUACIJSA-N 1 2 399.510 4.314 20 0 GIADLO CCN(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1cccc(OC)c1 ZINC000459393998 823182087 /nfs/dbraw/zinc/18/20/87/823182087.db2.gz YYLICKBUFMEFCK-QGZVFWFLSA-N 1 2 383.492 4.147 20 0 GIADLO C[C@H](CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1)n1cc[nH+]c1 ZINC000571450748 823184504 /nfs/dbraw/zinc/18/45/04/823184504.db2.gz UUBQHNYVZWQWAT-SJLPKXTDSA-N 1 2 379.464 4.028 20 0 GIADLO COc1ccc(-n2ccc(C[NH2+]Cc3c(C)nc4scc(C5CC5)n34)n2)cc1 ZINC000459414974 823187661 /nfs/dbraw/zinc/18/76/61/823187661.db2.gz WJMYFDUWLPWMPH-UHFFFAOYSA-N 1 2 393.516 4.066 20 0 GIADLO CCOC[C@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)C1 ZINC000176346104 823188482 /nfs/dbraw/zinc/18/84/82/823188482.db2.gz AOEXRYLQFPRCCU-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO CCOC[C@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)C1 ZINC000176346104 823188485 /nfs/dbraw/zinc/18/84/85/823188485.db2.gz AOEXRYLQFPRCCU-SFHVURJKSA-N 1 2 387.549 4.303 20 0 GIADLO CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCC[C@H](Cc3[nH+]ccn3C)C1)CC2 ZINC000188155801 823195469 /nfs/dbraw/zinc/19/54/69/823195469.db2.gz JUIHMVWEPQDKQS-DYESRHJHSA-N 1 2 380.536 4.195 20 0 GIADLO CCOC(=O)c1noc(C[N@@H+]2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000459434268 823191608 /nfs/dbraw/zinc/19/16/08/823191608.db2.gz HQOGEVFPKIGYNR-HNNXBMFYSA-N 1 2 397.397 4.382 20 0 GIADLO CCOC(=O)c1noc(C[N@H+]2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000459434268 823191610 /nfs/dbraw/zinc/19/16/10/823191610.db2.gz HQOGEVFPKIGYNR-HNNXBMFYSA-N 1 2 397.397 4.382 20 0 GIADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc(F)c(Cl)cc1F ZINC000121477884 823191702 /nfs/dbraw/zinc/19/17/02/823191702.db2.gz YOPMPEGJCRGHQO-UHFFFAOYSA-N 1 2 377.778 4.146 20 0 GIADLO CC[C@@H](CSc1ccccc1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000121491305 823193892 /nfs/dbraw/zinc/19/38/92/823193892.db2.gz CAXFKRIYXJNVSJ-FQEVSTJZSA-N 1 2 394.544 4.302 20 0 GIADLO COc1ccc([C@@H](C)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c(C)c1OC ZINC000571541111 823197840 /nfs/dbraw/zinc/19/78/40/823197840.db2.gz BMSQSEHBQHBYIS-HLLBOEOZSA-N 1 2 385.508 4.194 20 0 GIADLO CO[C@H](C)c1noc(C[NH+]2CCC(c3ccc(Br)c(C)c3)CC2)n1 ZINC000188193829 823201335 /nfs/dbraw/zinc/20/13/35/823201335.db2.gz FXRFBNSZSNANBY-CYBMUJFWSA-N 1 2 394.313 4.228 20 0 GIADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1noc2c1CCCCC2 ZINC000188221326 823205790 /nfs/dbraw/zinc/20/57/90/823205790.db2.gz QJECEMBMSSEFIP-UHFFFAOYSA-N 1 2 376.460 4.396 20 0 GIADLO CCOc1ccccc1-c1nn(CN2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(=S)o1 ZINC000121568787 823207931 /nfs/dbraw/zinc/20/79/31/823207931.db2.gz VQJCRMOWZWDSAS-DOTOQJQBSA-N 1 2 399.520 4.008 20 0 GIADLO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000459520955 823210062 /nfs/dbraw/zinc/21/00/62/823210062.db2.gz IXLIZSMZZYVNQG-UHFFFAOYSA-N 1 2 377.517 4.116 20 0 GIADLO COCc1cc(C[NH+]2CCC(c3nc(-c4ccccc4OC)cs3)CC2)no1 ZINC000459521760 823210405 /nfs/dbraw/zinc/21/04/05/823210405.db2.gz LPECMNKHZOEXJU-UHFFFAOYSA-N 1 2 399.516 4.333 20 0 GIADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000571635862 823213009 /nfs/dbraw/zinc/21/30/09/823213009.db2.gz VPVXFXBXWSKWGR-VDGAXYAQSA-N 1 2 381.426 4.272 20 0 GIADLO OCC1([C@@H]([NH2+]Cc2nc(CCc3ccccc3)no2)c2ccccc2)CCCC1 ZINC000459533151 823213633 /nfs/dbraw/zinc/21/36/33/823213633.db2.gz PGPBAQJFDVQAFH-QHCPKHFHSA-N 1 2 391.515 4.238 20 0 GIADLO OCC1([C@@H]([NH2+]Cc2nc(-c3ccccc3F)no2)c2ccccc2)CCCC1 ZINC000459545309 823216957 /nfs/dbraw/zinc/21/69/57/823216957.db2.gz PJGOVPFKCSQJSY-FQEVSTJZSA-N 1 2 381.451 4.259 20 0 GIADLO COc1cccc([C@H]2C[C@@H](C)CN2C(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000571695428 823220265 /nfs/dbraw/zinc/22/02/65/823220265.db2.gz DQRDSIUBUIOQAG-WZONZLPQSA-N 1 2 389.499 4.092 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(-c2ccccc2Cl)on1 ZINC000409452602 823221834 /nfs/dbraw/zinc/22/18/34/823221834.db2.gz OKNGAVTURORQDB-UHFFFAOYSA-N 1 2 396.809 4.250 20 0 GIADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000571709829 823222665 /nfs/dbraw/zinc/22/26/65/823222665.db2.gz WBABOGNDXJPVBD-FQEVSTJZSA-N 1 2 385.471 4.373 20 0 GIADLO Brc1cccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCCO3)o2)c1 ZINC000571721062 823224712 /nfs/dbraw/zinc/22/47/12/823224712.db2.gz CRNZBSZMRFRQLU-IEBWSBKVSA-N 1 2 392.293 4.089 20 0 GIADLO Brc1cccc(-c2ccc(C[N@H+]3CCOC[C@@H]3[C@H]3CCCO3)o2)c1 ZINC000571721062 823224720 /nfs/dbraw/zinc/22/47/20/823224720.db2.gz CRNZBSZMRFRQLU-IEBWSBKVSA-N 1 2 392.293 4.089 20 0 GIADLO COc1cc(NC(=O)C[N@@H+]2Cc3sccc3CC2(C)C)c(OC)cc1Cl ZINC000459587042 823225888 /nfs/dbraw/zinc/22/58/88/823225888.db2.gz URFVATZZEBJOOX-UHFFFAOYSA-N 1 2 394.924 4.194 20 0 GIADLO COc1cc(NC(=O)C[N@H+]2Cc3sccc3CC2(C)C)c(OC)cc1Cl ZINC000459587042 823225895 /nfs/dbraw/zinc/22/58/95/823225895.db2.gz URFVATZZEBJOOX-UHFFFAOYSA-N 1 2 394.924 4.194 20 0 GIADLO Cc1cccn2cc(C[S@](=O)[C@H](C)c3nc(-c4ccccc4C)no3)[nH+]c12 ZINC000176518588 823227837 /nfs/dbraw/zinc/22/78/37/823227837.db2.gz FYDPQPZZPBITSR-RXAIFQJESA-N 1 2 380.473 4.011 20 0 GIADLO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894607 823229320 /nfs/dbraw/zinc/22/93/20/823229320.db2.gz UBWPIORKJOIXJQ-OAHLLOKOSA-N 1 2 391.500 4.385 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000056895787 823229634 /nfs/dbraw/zinc/22/96/34/823229634.db2.gz QJVOGOGHAHWPMW-UHFFFAOYSA-N 1 2 380.879 4.400 20 0 GIADLO Cc1cccn2cc(C[S@@](=O)[C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)[nH+]c12 ZINC000176531060 823230451 /nfs/dbraw/zinc/23/04/51/823230451.db2.gz RDKHMZOCRGWVLK-HJFSHJIFSA-N 1 2 398.463 4.150 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3c(F)c(F)cc(F)c3F)n2)C1 ZINC000176533527 823230971 /nfs/dbraw/zinc/23/09/71/823230971.db2.gz JEBDZSPZRMTKJE-SECBINFHSA-N 1 2 387.402 4.184 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c(F)c(F)cc(F)c3F)n2)C1 ZINC000176533527 823230976 /nfs/dbraw/zinc/23/09/76/823230976.db2.gz JEBDZSPZRMTKJE-SECBINFHSA-N 1 2 387.402 4.184 20 0 GIADLO Cc1c(Br)cc(C[NH+]2CC3(C2)CCOCC3)cc1Br ZINC000459621889 823231236 /nfs/dbraw/zinc/23/12/36/823231236.db2.gz PTIKQVYCAYFNFN-UHFFFAOYSA-N 1 2 389.131 4.132 20 0 GIADLO CCCCC1CCC(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000409495436 823234509 /nfs/dbraw/zinc/23/45/09/823234509.db2.gz WFNBTHZFOJQMQJ-UHFFFAOYSA-N 1 2 396.535 4.391 20 0 GIADLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccccc2SC)n1 ZINC000121708358 823234833 /nfs/dbraw/zinc/23/48/33/823234833.db2.gz JBQKMUUDYOVERZ-ZDUSSCGKSA-N 1 2 394.566 4.066 20 0 GIADLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2SC)n1 ZINC000121708358 823234837 /nfs/dbraw/zinc/23/48/37/823234837.db2.gz JBQKMUUDYOVERZ-ZDUSSCGKSA-N 1 2 394.566 4.066 20 0 GIADLO O=C(NCCc1ccc2ccccc2c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000409504613 823236160 /nfs/dbraw/zinc/23/61/60/823236160.db2.gz VWPVYRUVGQGHRH-UHFFFAOYSA-N 1 2 388.446 4.207 20 0 GIADLO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3CC(=O)c3cccs3)n2)cc1 ZINC000121716110 823236462 /nfs/dbraw/zinc/23/64/62/823236462.db2.gz UALNINKLYYRMHE-OAHLLOKOSA-N 1 2 383.473 4.044 20 0 GIADLO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3CC(=O)c3cccs3)n2)cc1 ZINC000121716110 823236467 /nfs/dbraw/zinc/23/64/67/823236467.db2.gz UALNINKLYYRMHE-OAHLLOKOSA-N 1 2 383.473 4.044 20 0 GIADLO CO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658931 823242851 /nfs/dbraw/zinc/24/28/51/823242851.db2.gz JMWSHDKBVOVDEJ-TZMCWYRMSA-N 1 2 378.460 4.032 20 0 GIADLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C)c1 ZINC000057024445 823240225 /nfs/dbraw/zinc/24/02/25/823240225.db2.gz FLSKRPXVEOOWQL-GOSISDBHSA-N 1 2 385.939 4.414 20 0 GIADLO COc1cccc(C[N@H+](C)[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)c1 ZINC000057024605 823240677 /nfs/dbraw/zinc/24/06/77/823240677.db2.gz GFAGFLPBQHEEAB-ZIAGYGMSSA-N 1 2 397.544 4.311 20 0 GIADLO COc1cccc(C[N@@H+](C)[C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)c1 ZINC000057024605 823240681 /nfs/dbraw/zinc/24/06/81/823240681.db2.gz GFAGFLPBQHEEAB-ZIAGYGMSSA-N 1 2 397.544 4.311 20 0 GIADLO CO[C@H](C)c1nc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cs1 ZINC000459658931 823242854 /nfs/dbraw/zinc/24/28/54/823242854.db2.gz JMWSHDKBVOVDEJ-TZMCWYRMSA-N 1 2 378.460 4.032 20 0 GIADLO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CCn3cncc3C2)cc1C ZINC000571847203 823244782 /nfs/dbraw/zinc/24/47/82/823244782.db2.gz VIXKGNJWSMSLRE-UHFFFAOYSA-N 1 2 397.526 4.428 20 0 GIADLO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CCn3cncc3C2)cc1C ZINC000571847203 823244789 /nfs/dbraw/zinc/24/47/89/823244789.db2.gz VIXKGNJWSMSLRE-UHFFFAOYSA-N 1 2 397.526 4.428 20 0 GIADLO Fc1ccc(C[C@@H]2CCC[N@@H+]2Cn2nc(N3CCCC3)sc2=S)cc1 ZINC000057091265 823249011 /nfs/dbraw/zinc/24/90/11/823249011.db2.gz JPDIINVGCYKZIQ-INIZCTEOSA-N 1 2 378.542 4.078 20 0 GIADLO Fc1ccc(C[C@@H]2CCC[N@H+]2Cn2nc(N3CCCC3)sc2=S)cc1 ZINC000057091265 823249014 /nfs/dbraw/zinc/24/90/14/823249014.db2.gz JPDIINVGCYKZIQ-INIZCTEOSA-N 1 2 378.542 4.078 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000057130898 823253153 /nfs/dbraw/zinc/25/31/53/823253153.db2.gz VMYDTGUCVKMZOW-UHFFFAOYSA-N 1 2 390.874 4.265 20 0 GIADLO CC(C)(C)[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(F)cc1 ZINC000121798130 823253689 /nfs/dbraw/zinc/25/36/89/823253689.db2.gz SHMPGEOEPUKELM-FQEVSTJZSA-N 1 2 384.499 4.408 20 0 GIADLO Cc1ccc(-c2ncc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)s2)o1 ZINC000121810731 823255666 /nfs/dbraw/zinc/25/56/66/823255666.db2.gz GHBUOGHHIRCISZ-UHFFFAOYSA-N 1 2 394.500 4.192 20 0 GIADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000409598579 823258061 /nfs/dbraw/zinc/25/80/61/823258061.db2.gz HQXCXSJTUUODCW-UHFFFAOYSA-N 1 2 394.328 4.232 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C ZINC000409605462 823259748 /nfs/dbraw/zinc/25/97/48/823259748.db2.gz VWSSDDVBGKPFCG-ZDUSSCGKSA-N 1 2 380.410 4.488 20 0 GIADLO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1noc(Cc2ccccc2)n1)c1ccco1 ZINC000121839182 823260553 /nfs/dbraw/zinc/26/05/53/823260553.db2.gz VUXWCWIHNWNEDP-MOPGFXCFSA-N 1 2 381.476 4.122 20 0 GIADLO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1noc(Cc2ccccc2)n1)c1ccco1 ZINC000121839182 823260560 /nfs/dbraw/zinc/26/05/60/823260560.db2.gz VUXWCWIHNWNEDP-MOPGFXCFSA-N 1 2 381.476 4.122 20 0 GIADLO CCCCNC(=O)C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000188565738 823262868 /nfs/dbraw/zinc/26/28/68/823262868.db2.gz NKBANDMYXCHOLS-UHFFFAOYSA-N 1 2 387.749 4.231 20 0 GIADLO C[C@H]1CCN(C(=O)Nc2cc(F)c(Br)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000121878704 823268785 /nfs/dbraw/zinc/26/87/85/823268785.db2.gz HUMBTAFPTVNHQD-BONVTDFDSA-N 1 2 399.239 4.039 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000003540679 817481029 /nfs/dbraw/zinc/48/10/29/817481029.db2.gz MXXTXLWVRQTINT-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000003540679 817481036 /nfs/dbraw/zinc/48/10/36/817481036.db2.gz MXXTXLWVRQTINT-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000188595007 823269070 /nfs/dbraw/zinc/26/90/70/823269070.db2.gz ANCOPNXYQDHUIW-IYBDPMFKSA-N 1 2 385.508 4.043 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000188595007 823269073 /nfs/dbraw/zinc/26/90/73/823269073.db2.gz ANCOPNXYQDHUIW-IYBDPMFKSA-N 1 2 385.508 4.043 20 0 GIADLO CCCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000003551825 817484070 /nfs/dbraw/zinc/48/40/70/817484070.db2.gz UWRZVYFWGUCJLC-QGZVFWFLSA-N 1 2 389.569 4.130 20 0 GIADLO CC[N@H+](Cc1ncc(I)s1)[C@@H](C)c1ccc(F)cc1 ZINC000572080127 823279616 /nfs/dbraw/zinc/27/96/16/823279616.db2.gz YEJOZKLFNXLUDG-JTQLQIEISA-N 1 2 390.265 4.470 20 0 GIADLO CC[N@@H+](Cc1ncc(I)s1)[C@@H](C)c1ccc(F)cc1 ZINC000572080127 823279618 /nfs/dbraw/zinc/27/96/18/823279618.db2.gz YEJOZKLFNXLUDG-JTQLQIEISA-N 1 2 390.265 4.470 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000572080832 823279639 /nfs/dbraw/zinc/27/96/39/823279639.db2.gz BPOAPCSZTWFDPW-YJLNNSPDSA-N 1 2 392.927 4.018 20 0 GIADLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000572080832 823279641 /nfs/dbraw/zinc/27/96/41/823279641.db2.gz BPOAPCSZTWFDPW-YJLNNSPDSA-N 1 2 392.927 4.018 20 0 GIADLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ocnc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572081342 823279659 /nfs/dbraw/zinc/27/96/59/823279659.db2.gz SKYAFHJNIQWJJX-FUHWJXTLSA-N 1 2 391.874 4.298 20 0 GIADLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ocnc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572081342 823279662 /nfs/dbraw/zinc/27/96/62/823279662.db2.gz SKYAFHJNIQWJJX-FUHWJXTLSA-N 1 2 391.874 4.298 20 0 GIADLO O=C(Nc1ccccc1)c1nnc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)s1 ZINC000121920623 823277497 /nfs/dbraw/zinc/27/74/97/823277497.db2.gz NJZXRDZFKKZJDU-IBGZPJMESA-N 1 2 392.528 4.388 20 0 GIADLO O=C(Nc1ccccc1)c1nnc(C[N@H+]2CCC[C@H]2CCc2ccccc2)s1 ZINC000121920623 823277502 /nfs/dbraw/zinc/27/75/02/823277502.db2.gz NJZXRDZFKKZJDU-IBGZPJMESA-N 1 2 392.528 4.388 20 0 GIADLO O=C(NCCCCn1cc[nH+]c1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000057374909 823284366 /nfs/dbraw/zinc/28/43/66/823284366.db2.gz DLRZUSHLDIVXQI-UHFFFAOYSA-N 1 2 395.488 4.032 20 0 GIADLO Cc1cc(N)nc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[nH+]1 ZINC000007049032 817746826 /nfs/dbraw/zinc/74/68/26/817746826.db2.gz KTWOWZVSBFLXQB-UWVGGRQHSA-N 1 2 385.320 4.032 20 0 GIADLO C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000188695904 823287728 /nfs/dbraw/zinc/28/77/28/823287728.db2.gz UFUKQRXOMTXUDG-HNNXBMFYSA-N 1 2 380.496 4.260 20 0 GIADLO CCc1ccc2c(C[N@H+](C)CC(=O)Nc3cccc(C)c3C)cc(=O)oc2c1 ZINC000007267916 817807630 /nfs/dbraw/zinc/80/76/30/817807630.db2.gz HNGCONMLVUAOCM-UHFFFAOYSA-N 1 2 378.472 4.043 20 0 GIADLO CCc1ccc2c(C[N@@H+](C)CC(=O)Nc3cccc(C)c3C)cc(=O)oc2c1 ZINC000007267916 817807642 /nfs/dbraw/zinc/80/76/42/817807642.db2.gz HNGCONMLVUAOCM-UHFFFAOYSA-N 1 2 378.472 4.043 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000007266971 817807957 /nfs/dbraw/zinc/80/79/57/817807957.db2.gz AKWIAVYRTICNNC-CYBMUJFWSA-N 1 2 378.394 4.367 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000007266971 817807966 /nfs/dbraw/zinc/80/79/66/817807966.db2.gz AKWIAVYRTICNNC-CYBMUJFWSA-N 1 2 378.394 4.367 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](C)Cn2ccn(-c3cc(C)cc(C)c3)c2=S)cc1 ZINC000007317427 817817464 /nfs/dbraw/zinc/81/74/64/817817464.db2.gz UOOZCORBGPBSEL-UHFFFAOYSA-N 1 2 394.544 4.074 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](C)Cn2ccn(-c3cc(C)cc(C)c3)c2=S)cc1 ZINC000007317427 817817470 /nfs/dbraw/zinc/81/74/70/817817470.db2.gz UOOZCORBGPBSEL-UHFFFAOYSA-N 1 2 394.544 4.074 20 0 GIADLO Cc1cc(N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000007326605 817818642 /nfs/dbraw/zinc/81/86/42/817818642.db2.gz KKXYGHPIKPFEHS-UHFFFAOYSA-N 1 2 389.956 4.081 20 0 GIADLO COc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2OC)c2ccccc2)c1 ZINC000007389444 817828802 /nfs/dbraw/zinc/82/88/02/817828802.db2.gz NLUSDJXUDFGJBT-QFIPXVFZSA-N 1 2 376.456 4.173 20 0 GIADLO Fc1ccc(Br)c2[nH+]ccc(N[C@H]3CCO[C@]4(CCSC4)C3)c12 ZINC000409730775 823292915 /nfs/dbraw/zinc/29/29/15/823292915.db2.gz IUQKSURVDSLDGH-APPDUMDISA-N 1 2 397.313 4.025 20 0 GIADLO O=C(CSCc1cccc(Cl)c1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000409732891 823293956 /nfs/dbraw/zinc/29/39/56/823293956.db2.gz GKPYZHUNODSALU-UHFFFAOYSA-N 1 2 390.936 4.044 20 0 GIADLO CCCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1[C@H](CC)[NH+](C)C ZINC000122025179 823295071 /nfs/dbraw/zinc/29/50/71/823295071.db2.gz NSFIAEMVLHEQQW-KBPBESRZSA-N 1 2 380.562 4.451 20 0 GIADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 ZINC000188768043 823300502 /nfs/dbraw/zinc/30/05/02/823300502.db2.gz DHGSBGAGMWQJBB-UHFFFAOYSA-N 1 2 378.520 4.372 20 0 GIADLO O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188770150 823301053 /nfs/dbraw/zinc/30/10/53/823301053.db2.gz ICITWLAJWZLPNA-OAHLLOKOSA-N 1 2 397.862 4.193 20 0 GIADLO CC[C@H](C)Oc1cccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000057481691 823302607 /nfs/dbraw/zinc/30/26/07/823302607.db2.gz BWVVEPFKBSOETK-SFHVURJKSA-N 1 2 392.503 4.473 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)no2)cc1Br ZINC000007879559 817948242 /nfs/dbraw/zinc/94/82/42/817948242.db2.gz KFHMQGZMXBWVIN-GFCCVEGCSA-N 1 2 388.265 4.359 20 0 GIADLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1OC ZINC000008120224 818003348 /nfs/dbraw/zinc/00/33/48/818003348.db2.gz MYWXSZNADBOXMR-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1OC ZINC000008120224 818003356 /nfs/dbraw/zinc/00/33/56/818003356.db2.gz MYWXSZNADBOXMR-UHFFFAOYSA-N 1 2 383.275 4.081 20 0 GIADLO Cc1ccc(-c2ocnc2C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000460171854 823305339 /nfs/dbraw/zinc/30/53/39/823305339.db2.gz KMJMUZYNCVEGQX-QGZVFWFLSA-N 1 2 391.471 4.296 20 0 GIADLO FC(F)(F)c1cccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000008203764 818017370 /nfs/dbraw/zinc/01/73/70/818017370.db2.gz GBZRKDZGQIDRPF-UHFFFAOYSA-N 1 2 378.423 4.032 20 0 GIADLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000008262068 818026559 /nfs/dbraw/zinc/02/65/59/818026559.db2.gz JDRXTVQDNOTJKL-KRWDZBQOSA-N 1 2 393.512 4.317 20 0 GIADLO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000008262068 818026568 /nfs/dbraw/zinc/02/65/68/818026568.db2.gz JDRXTVQDNOTJKL-KRWDZBQOSA-N 1 2 393.512 4.317 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1C ZINC000057613826 823314927 /nfs/dbraw/zinc/31/49/27/823314927.db2.gz VODOAHJYWUPAHM-KRWDZBQOSA-N 1 2 381.398 4.152 20 0 GIADLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1NC(C)=O ZINC000122154874 823314058 /nfs/dbraw/zinc/31/40/58/823314058.db2.gz QXRAKBAQWSTLSD-UHFFFAOYSA-N 1 2 394.302 4.412 20 0 GIADLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1NC(C)=O ZINC000122154874 823314066 /nfs/dbraw/zinc/31/40/66/823314066.db2.gz QXRAKBAQWSTLSD-UHFFFAOYSA-N 1 2 394.302 4.412 20 0 GIADLO O=C(Nc1ccc(Br)cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000409831181 823319520 /nfs/dbraw/zinc/31/95/20/823319520.db2.gz GMQAXTXDIIFLER-KRWDZBQOSA-N 1 2 391.334 4.178 20 0 GIADLO O=C(Nc1cccc(Br)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000409837201 823321052 /nfs/dbraw/zinc/32/10/52/823321052.db2.gz SDPWFDOBCDKGBZ-QGZVFWFLSA-N 1 2 391.334 4.178 20 0 GIADLO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000014325522 818235027 /nfs/dbraw/zinc/23/50/27/818235027.db2.gz WSBTZXRMZLEKSQ-UHFFFAOYSA-N 1 2 394.515 4.099 20 0 GIADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccc(Cl)cc1OC(F)F ZINC000460228491 823323800 /nfs/dbraw/zinc/32/38/00/823323800.db2.gz BDUYKDWGENCZRB-UHFFFAOYSA-N 1 2 392.793 4.449 20 0 GIADLO CSc1ccccc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000409846936 823324359 /nfs/dbraw/zinc/32/43/59/823324359.db2.gz VMCVJGOUSLOUGM-BZNIZROVSA-N 1 2 379.323 4.048 20 0 GIADLO Cc1nc([C@H]2CCCN2C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cs1 ZINC000188909364 823326642 /nfs/dbraw/zinc/32/66/42/823326642.db2.gz DLSTZXQLHFVTJG-GOSISDBHSA-N 1 2 397.504 4.096 20 0 GIADLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000015107361 818290954 /nfs/dbraw/zinc/29/09/54/818290954.db2.gz NQXYVIWFMKFKDJ-AWEZNQCLSA-N 1 2 376.884 4.125 20 0 GIADLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000015107361 818290966 /nfs/dbraw/zinc/29/09/66/818290966.db2.gz NQXYVIWFMKFKDJ-AWEZNQCLSA-N 1 2 376.884 4.125 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000015296669 818307751 /nfs/dbraw/zinc/30/77/51/818307751.db2.gz DBJCTLFGRPRVCV-CQSZACIVSA-N 1 2 392.381 4.474 20 0 GIADLO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000015296669 818307758 /nfs/dbraw/zinc/30/77/58/818307758.db2.gz DBJCTLFGRPRVCV-CQSZACIVSA-N 1 2 392.381 4.474 20 0 GIADLO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000572363530 823327748 /nfs/dbraw/zinc/32/77/48/823327748.db2.gz NZYGSCAZQCURFX-JXFKEZNVSA-N 1 2 376.460 4.102 20 0 GIADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)Cc1ccc(Br)s1 ZINC000015371797 818318925 /nfs/dbraw/zinc/31/89/25/818318925.db2.gz KYMSPBLMCBKRPO-OLZOCXBDSA-N 1 2 393.350 4.309 20 0 GIADLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000015371797 818318934 /nfs/dbraw/zinc/31/89/34/818318934.db2.gz KYMSPBLMCBKRPO-OLZOCXBDSA-N 1 2 393.350 4.309 20 0 GIADLO c1ccc(OCCCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1 ZINC000057782124 823331970 /nfs/dbraw/zinc/33/19/70/823331970.db2.gz MYESYCJEFPPVAO-UHFFFAOYSA-N 1 2 394.544 4.424 20 0 GIADLO CC[N@@H+](Cc1ccc(OCc2cccs2)c(OC)c1)CN1CCSC1=O ZINC000122265970 823329914 /nfs/dbraw/zinc/32/99/14/823329914.db2.gz JKIYNJNZGNCZPX-UHFFFAOYSA-N 1 2 392.546 4.284 20 0 GIADLO CC[N@H+](Cc1ccc(OCc2cccs2)c(OC)c1)CN1CCSC1=O ZINC000122265970 823329921 /nfs/dbraw/zinc/32/99/21/823329921.db2.gz JKIYNJNZGNCZPX-UHFFFAOYSA-N 1 2 392.546 4.284 20 0 GIADLO O=C(c1cccnc1Sc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016026177 818386175 /nfs/dbraw/zinc/38/61/75/818386175.db2.gz FKBHTRVNBPMLLN-UHFFFAOYSA-N 1 2 389.524 4.191 20 0 GIADLO COc1cc(Cl)ccc1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000572412093 823334666 /nfs/dbraw/zinc/33/46/66/823334666.db2.gz RHLDITIOMRQLNY-UHFFFAOYSA-N 1 2 376.243 4.118 20 0 GIADLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000016563804 818455362 /nfs/dbraw/zinc/45/53/62/818455362.db2.gz JHDQTOMPBYTOQK-IBGZPJMESA-N 1 2 388.511 4.421 20 0 GIADLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000016563804 818455364 /nfs/dbraw/zinc/45/53/64/818455364.db2.gz JHDQTOMPBYTOQK-IBGZPJMESA-N 1 2 388.511 4.421 20 0 GIADLO COc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1Cl ZINC000017307803 818507262 /nfs/dbraw/zinc/50/72/62/818507262.db2.gz FEOYVDZIYUHPEX-HNNXBMFYSA-N 1 2 394.924 4.030 20 0 GIADLO COc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1Cl ZINC000017307803 818507271 /nfs/dbraw/zinc/50/72/71/818507271.db2.gz FEOYVDZIYUHPEX-HNNXBMFYSA-N 1 2 394.924 4.030 20 0 GIADLO CCOc1ccc(C[NH+]2CCN(C(=S)Nc3ccc(C)c(F)c3)CC2)cc1 ZINC000017513423 818517337 /nfs/dbraw/zinc/51/73/37/818517337.db2.gz RNMCIMMCONJJEK-UHFFFAOYSA-N 1 2 387.524 4.047 20 0 GIADLO CC(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000057882608 823344151 /nfs/dbraw/zinc/34/41/51/823344151.db2.gz PWIYRGJCLOQEGA-UHFFFAOYSA-N 1 2 391.309 4.009 20 0 GIADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc1 ZINC000018122216 818547825 /nfs/dbraw/zinc/54/78/25/818547825.db2.gz YVKZAMOBVIIBCE-UHFFFAOYSA-N 1 2 379.529 4.378 20 0 GIADLO C[N@H+](CCOc1ccccc1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000019530278 818593127 /nfs/dbraw/zinc/59/31/27/818593127.db2.gz RXKMQAMAXCBRND-UHFFFAOYSA-N 1 2 391.496 4.162 20 0 GIADLO C[N@@H+](CCOc1ccccc1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000019530278 818593134 /nfs/dbraw/zinc/59/31/34/818593134.db2.gz RXKMQAMAXCBRND-UHFFFAOYSA-N 1 2 391.496 4.162 20 0 GIADLO CC[C@@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)Oc1ccc(Cl)c(Cl)c1 ZINC000189071825 823352375 /nfs/dbraw/zinc/35/23/75/823352375.db2.gz MIBLGDCZSPONNC-KGLIPLIRSA-N 1 2 396.318 4.068 20 0 GIADLO Cc1c2ccccc2[nH+]c(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C(=O)[O-] ZINC000572528086 823354542 /nfs/dbraw/zinc/35/45/42/823354542.db2.gz VZLMTRNBZNCRIB-INIZCTEOSA-N 1 2 390.487 4.158 20 0 GIADLO Cn1c(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)nc2ccc(Cl)cc21 ZINC000572526801 823354586 /nfs/dbraw/zinc/35/45/86/823354586.db2.gz MVWITGQZGXBAJG-GOEBONIOSA-N 1 2 387.936 4.227 20 0 GIADLO Cn1c(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)nc2ccc(Cl)cc21 ZINC000572526801 823354592 /nfs/dbraw/zinc/35/45/92/823354592.db2.gz MVWITGQZGXBAJG-GOEBONIOSA-N 1 2 387.936 4.227 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1C ZINC000021297403 818673162 /nfs/dbraw/zinc/67/31/62/818673162.db2.gz ANDRYXYMBAWRGD-SFHVURJKSA-N 1 2 387.911 4.054 20 0 GIADLO O=C(NCC1(c2ccc(F)cc2F)CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000189063422 823350944 /nfs/dbraw/zinc/35/09/44/823350944.db2.gz DNWQURWFQZDQSV-UHFFFAOYSA-N 1 2 388.462 4.020 20 0 GIADLO CC(C)[C@@H](Oc1ccccc1Br)C(=O)Nc1cccc2[nH+]ccn21 ZINC000460339097 823358070 /nfs/dbraw/zinc/35/80/70/823358070.db2.gz MQSZYTOLNAGBPF-QGZVFWFLSA-N 1 2 388.265 4.139 20 0 GIADLO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000021870221 818750404 /nfs/dbraw/zinc/75/04/04/818750404.db2.gz MMXFQCUJWPFJMH-VMPITWQZSA-N 1 2 375.299 4.465 20 0 GIADLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000177075269 823365062 /nfs/dbraw/zinc/36/50/62/823365062.db2.gz CJQCDAVMQXCMEY-UHFFFAOYSA-N 1 2 380.485 4.025 20 0 GIADLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000177075269 823365072 /nfs/dbraw/zinc/36/50/72/823365072.db2.gz CJQCDAVMQXCMEY-UHFFFAOYSA-N 1 2 380.485 4.025 20 0 GIADLO COc1ccc(C[N@H+](Cn2c(=S)[nH]nc2Cc2cccs2)C2CC2)cc1 ZINC000058205147 823368640 /nfs/dbraw/zinc/36/86/40/823368640.db2.gz YSHQAVQQIQUCIC-UHFFFAOYSA-N 1 2 386.546 4.224 20 0 GIADLO COc1ccc(C[N@@H+](Cn2c(=S)[nH]nc2Cc2cccs2)C2CC2)cc1 ZINC000058205147 823368644 /nfs/dbraw/zinc/36/86/44/823368644.db2.gz YSHQAVQQIQUCIC-UHFFFAOYSA-N 1 2 386.546 4.224 20 0 GIADLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)C2 ZINC000572611578 823369291 /nfs/dbraw/zinc/36/92/91/823369291.db2.gz HXFYMNMYRAXVEU-HNNXBMFYSA-N 1 2 384.907 4.073 20 0 GIADLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)C2 ZINC000572611578 823369298 /nfs/dbraw/zinc/36/92/98/823369298.db2.gz HXFYMNMYRAXVEU-HNNXBMFYSA-N 1 2 384.907 4.073 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000022844717 818866624 /nfs/dbraw/zinc/86/66/24/818866624.db2.gz AWXFADPSKARQBV-UHFFFAOYSA-N 1 2 399.966 4.412 20 0 GIADLO Cc1cc(C)c(NC(=O)C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000022844717 818866630 /nfs/dbraw/zinc/86/66/30/818866630.db2.gz AWXFADPSKARQBV-UHFFFAOYSA-N 1 2 399.966 4.412 20 0 GIADLO Clc1ccc(CN2CCC[N@H+](Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000023008967 818886865 /nfs/dbraw/zinc/88/68/65/818886865.db2.gz WCSUMDOTMUZZBJ-UHFFFAOYSA-N 1 2 382.895 4.098 20 0 GIADLO Clc1ccc(CN2CCC[N@@H+](Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000023008967 818886866 /nfs/dbraw/zinc/88/68/66/818886866.db2.gz WCSUMDOTMUZZBJ-UHFFFAOYSA-N 1 2 382.895 4.098 20 0 GIADLO O=c1nc(C[NH+]2CCC([C@@H]3CCCO3)CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000189180391 823371051 /nfs/dbraw/zinc/37/10/51/823371051.db2.gz JGRRBWBQRQWEPF-SFHVURJKSA-N 1 2 395.528 4.043 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccccc3OC(F)F)n2)C1 ZINC000023307327 818922729 /nfs/dbraw/zinc/92/27/29/818922729.db2.gz OMDNQQYYTKZPHL-LBPRGKRZSA-N 1 2 381.448 4.229 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccccc3OC(F)F)n2)C1 ZINC000023307327 818922739 /nfs/dbraw/zinc/92/27/39/818922739.db2.gz OMDNQQYYTKZPHL-LBPRGKRZSA-N 1 2 381.448 4.229 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3CCC(F)(F)CC3)n2)C1 ZINC000410028626 823374217 /nfs/dbraw/zinc/37/42/17/823374217.db2.gz SJYQFJURKIZCEK-CYBMUJFWSA-N 1 2 386.512 4.322 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3CCC(F)(F)CC3)n2)C1 ZINC000410028626 823374223 /nfs/dbraw/zinc/37/42/23/823374223.db2.gz SJYQFJURKIZCEK-CYBMUJFWSA-N 1 2 386.512 4.322 20 0 GIADLO FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCCC[C@@H]3c3cc[nH]n3)cn2)cc1 ZINC000572647042 823374910 /nfs/dbraw/zinc/37/49/10/823374910.db2.gz XFOTWYCWGBYMDN-LJQANCHMSA-N 1 2 389.425 4.401 20 0 GIADLO FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCCC[C@@H]3c3cc[nH]n3)cn2)cc1 ZINC000572647042 823374916 /nfs/dbraw/zinc/37/49/16/823374916.db2.gz XFOTWYCWGBYMDN-LJQANCHMSA-N 1 2 389.425 4.401 20 0 GIADLO Fc1ccc(OCc2nc(C[NH+]3CCC([C@H]4CCCO4)CC3)cs2)cc1 ZINC000189211779 823376851 /nfs/dbraw/zinc/37/68/51/823376851.db2.gz ZXTQJXDUPZOLQP-LJQANCHMSA-N 1 2 376.497 4.252 20 0 GIADLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000177124201 823377005 /nfs/dbraw/zinc/37/70/05/823377005.db2.gz XHDKNMMCBGXSDX-OAQYLSRUSA-N 1 2 376.504 4.095 20 0 GIADLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc(C(=O)N(C)C)c1 ZINC000177124201 823377012 /nfs/dbraw/zinc/37/70/12/823377012.db2.gz XHDKNMMCBGXSDX-OAQYLSRUSA-N 1 2 376.504 4.095 20 0 GIADLO Cn1c[nH+]cc1CC(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000572672024 823379374 /nfs/dbraw/zinc/37/93/74/823379374.db2.gz VAOLFZUCVVVNCV-UHFFFAOYSA-N 1 2 389.377 4.090 20 0 GIADLO Cc1ccc(S(=O)(=O)c2ccc(C[NH+]3CCC([C@H]4CCCO4)CC3)cc2)cc1 ZINC000189237633 823380149 /nfs/dbraw/zinc/38/01/49/823380149.db2.gz COIORSIAJOTPQM-HSZRJFAPSA-N 1 2 399.556 4.219 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3CCCC(F)(F)C3)n2)C1 ZINC000410051715 823380550 /nfs/dbraw/zinc/38/05/50/823380550.db2.gz JQDJOPICWRXHFC-UONOGXRCSA-N 1 2 386.512 4.322 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3CCCC(F)(F)C3)n2)C1 ZINC000410051715 823380555 /nfs/dbraw/zinc/38/05/55/823380555.db2.gz JQDJOPICWRXHFC-UONOGXRCSA-N 1 2 386.512 4.322 20 0 GIADLO O[C@@H](C[N@H+](Cc1nc(-c2ccsc2)no1)Cc1ccccc1)c1ccco1 ZINC000177156866 823386127 /nfs/dbraw/zinc/38/61/27/823386127.db2.gz ODPDWFDZKNGZNL-KRWDZBQOSA-N 1 2 381.457 4.127 20 0 GIADLO O[C@@H](C[N@@H+](Cc1nc(-c2ccsc2)no1)Cc1ccccc1)c1ccco1 ZINC000177156866 823386134 /nfs/dbraw/zinc/38/61/34/823386134.db2.gz ODPDWFDZKNGZNL-KRWDZBQOSA-N 1 2 381.457 4.127 20 0 GIADLO CC[C@H](C)[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1nc2ccccc2[nH]1 ZINC000410085071 823386604 /nfs/dbraw/zinc/38/66/04/823386604.db2.gz SMZUKMXEARQPAZ-KKSFZXQISA-N 1 2 387.487 4.325 20 0 GIADLO Cc1ccccc1-n1ncc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C(C)C ZINC000189340213 823396834 /nfs/dbraw/zinc/39/68/34/823396834.db2.gz FFOKUWHOZZIZGU-WIYYLYMNSA-N 1 2 391.519 4.224 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccccc1N1CCCCC1 ZINC000572776263 823397081 /nfs/dbraw/zinc/39/70/81/823397081.db2.gz GDHXWVTUCLSJEW-UHFFFAOYSA-N 1 2 393.531 4.070 20 0 GIADLO c1n[nH]c([C@@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)C2CCCCC2)n1 ZINC000572791115 823399482 /nfs/dbraw/zinc/39/94/82/823399482.db2.gz XPJJXYYGOJRKPI-IBGZPJMESA-N 1 2 396.564 4.294 20 0 GIADLO CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1cccc(C(=O)NC)c1 ZINC000177211540 823400191 /nfs/dbraw/zinc/40/01/91/823400191.db2.gz PAKKJCCXJKUFNO-UHFFFAOYSA-N 1 2 398.894 4.162 20 0 GIADLO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1cccc(C(=O)NC)c1 ZINC000177211540 823400193 /nfs/dbraw/zinc/40/01/93/823400193.db2.gz PAKKJCCXJKUFNO-UHFFFAOYSA-N 1 2 398.894 4.162 20 0 GIADLO NC(=O)c1csc(C[NH2+][C@@H](c2cccnc2)c2cccc(C(F)(F)F)c2)c1 ZINC000122728547 823401557 /nfs/dbraw/zinc/40/15/57/823401557.db2.gz XVTMIZNORXVGGL-QGZVFWFLSA-N 1 2 391.418 4.140 20 0 GIADLO COCCCOC1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000189387537 823405926 /nfs/dbraw/zinc/40/59/26/823405926.db2.gz RRSBQZKWZBPNME-UHFFFAOYSA-N 1 2 376.722 4.120 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ccc(Br)cc2)CC1 ZINC000058579436 823412172 /nfs/dbraw/zinc/41/21/72/823412172.db2.gz URENEYASXAGFDJ-UHFFFAOYSA-N 1 2 379.342 4.064 20 0 GIADLO O=C(CC1CCCC1)N1CCC[N@H+](Cc2ccc(Br)cc2)CC1 ZINC000058579436 823412175 /nfs/dbraw/zinc/41/21/75/823412175.db2.gz URENEYASXAGFDJ-UHFFFAOYSA-N 1 2 379.342 4.064 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(Br)c(C)c2)c1C ZINC000058604592 823415405 /nfs/dbraw/zinc/41/54/05/823415405.db2.gz FSJFNZQGIDDGMF-UHFFFAOYSA-N 1 2 392.297 4.442 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CC[C@H](c3ccncc3)C2)cs1)c1ccc(F)cc1 ZINC000572896456 823416094 /nfs/dbraw/zinc/41/60/94/823416094.db2.gz RWSKEUGYGSDZMA-KRWDZBQOSA-N 1 2 396.491 4.351 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CC[C@H](c3ccncc3)C2)cs1)c1ccc(F)cc1 ZINC000572896456 823416097 /nfs/dbraw/zinc/41/60/97/823416097.db2.gz RWSKEUGYGSDZMA-KRWDZBQOSA-N 1 2 396.491 4.351 20 0 GIADLO CCCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OCCC ZINC000122817003 823417669 /nfs/dbraw/zinc/41/76/69/823417669.db2.gz BEUIZMTWASYQBX-MJGOQNOKSA-N 1 2 385.508 4.184 20 0 GIADLO Cc1ccc(-c2ncccc2NC(=O)NC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000189474109 823424729 /nfs/dbraw/zinc/42/47/29/823424729.db2.gz IMRQFQUKMQCNEB-UHFFFAOYSA-N 1 2 393.516 4.304 20 0 GIADLO CC(C)[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(F)cc1 ZINC000410217553 823422746 /nfs/dbraw/zinc/42/27/46/823422746.db2.gz UEIORLUYTXDEFU-NRFANRHFSA-N 1 2 384.499 4.408 20 0 GIADLO Cc1ccc(-c2ncccc2NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000189481317 823426819 /nfs/dbraw/zinc/42/68/19/823426819.db2.gz HBIMQVUHDCVYGA-WMLDXEAASA-N 1 2 381.505 4.430 20 0 GIADLO Cc1ccc(-c2ncccc2NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000189481336 823426872 /nfs/dbraw/zinc/42/68/72/823426872.db2.gz HBIMQVUHDCVYGA-RHSMWYFYSA-N 1 2 381.505 4.430 20 0 GIADLO O=C(CCn1cc[nH+]c1)N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000460552459 823429547 /nfs/dbraw/zinc/42/95/47/823429547.db2.gz GQUZGDFCXVLTSU-IBGZPJMESA-N 1 2 375.806 4.111 20 0 GIADLO O=C(Nc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1)C1CCCCC1 ZINC000177326490 823434522 /nfs/dbraw/zinc/43/45/22/823434522.db2.gz JPXZUTHYSVNTQC-UHFFFAOYSA-N 1 2 395.507 4.271 20 0 GIADLO Cc1[nH]c2ccccc2c1CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000024687765 819865082 /nfs/dbraw/zinc/86/50/82/819865082.db2.gz UJDSCNPRDQGUEA-AWEZNQCLSA-N 1 2 382.533 4.346 20 0 GIADLO Cc1[nH]c2ccccc2c1CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000024687765 819865092 /nfs/dbraw/zinc/86/50/92/819865092.db2.gz UJDSCNPRDQGUEA-AWEZNQCLSA-N 1 2 382.533 4.346 20 0 GIADLO COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000410249188 823433870 /nfs/dbraw/zinc/43/38/70/823433870.db2.gz HEDQPRHEJBSFPN-QFIPXVFZSA-N 1 2 375.472 4.090 20 0 GIADLO CC(=O)c1ccc(-c2ccc(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)o2)cc1 ZINC000024749150 819873022 /nfs/dbraw/zinc/87/30/22/819873022.db2.gz UETXMVMUHYIXEV-UHFFFAOYSA-N 1 2 399.450 4.324 20 0 GIADLO Cn1c(=S)n(C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)nc1C1CC1 ZINC000024751405 819873244 /nfs/dbraw/zinc/87/32/44/819873244.db2.gz XENUBFJIBWBMNG-HXUWFJFHSA-N 1 2 376.529 4.434 20 0 GIADLO Cn1c(=S)n(C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)nc1C1CC1 ZINC000024751405 819873255 /nfs/dbraw/zinc/87/32/55/819873255.db2.gz XENUBFJIBWBMNG-HXUWFJFHSA-N 1 2 376.529 4.434 20 0 GIADLO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024751403 819873607 /nfs/dbraw/zinc/87/36/07/819873607.db2.gz BEAVAWNQZZGSRT-UHFFFAOYSA-N 1 2 383.879 4.059 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000024753151 819874006 /nfs/dbraw/zinc/87/40/06/819874006.db2.gz LZIKRRWOVYIBHS-UHFFFAOYSA-N 1 2 379.463 4.433 20 0 GIADLO CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000189539856 823440209 /nfs/dbraw/zinc/44/02/09/823440209.db2.gz ICKASSDTXQLCCA-KRWDZBQOSA-N 1 2 391.437 4.064 20 0 GIADLO FC(F)(F)[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000024798180 819877671 /nfs/dbraw/zinc/87/76/71/819877671.db2.gz ZMWWMOBSPSXRPC-JTQLQIEISA-N 1 2 390.203 4.273 20 0 GIADLO FC(F)(F)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000024798180 819877679 /nfs/dbraw/zinc/87/76/79/819877679.db2.gz ZMWWMOBSPSXRPC-JTQLQIEISA-N 1 2 390.203 4.273 20 0 GIADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(Cl)c1 ZINC000024857094 819884772 /nfs/dbraw/zinc/88/47/72/819884772.db2.gz RTBHJKLQFRMABO-MRXNPFEDSA-N 1 2 399.922 4.326 20 0 GIADLO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000024911425 819893403 /nfs/dbraw/zinc/89/34/03/819893403.db2.gz CKEQGRNXDPLAQX-UHFFFAOYSA-N 1 2 375.394 4.186 20 0 GIADLO CCOc1ccc(SCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410257388 823436767 /nfs/dbraw/zinc/43/67/67/823436767.db2.gz NISKCUIHHDPZKW-KRWDZBQOSA-N 1 2 399.560 4.116 20 0 GIADLO CC1CC[NH+](Cc2csc(NC(=O)CSCc3ccc(F)cc3)n2)CC1 ZINC000025011344 819908715 /nfs/dbraw/zinc/90/87/15/819908715.db2.gz HBLVYBWGKVDKJK-UHFFFAOYSA-N 1 2 393.553 4.386 20 0 GIADLO O=C(Cc1cc(Cl)ccc1Cl)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410262975 823439217 /nfs/dbraw/zinc/43/92/17/823439217.db2.gz GKHULPSQORZEJL-AWEZNQCLSA-N 1 2 392.330 4.475 20 0 GIADLO O=c1nc(C[N@H+](Cc2ccccc2)C2CC2)[nH]c2scc(-c3ccco3)c21 ZINC000025216803 819944209 /nfs/dbraw/zinc/94/42/09/819944209.db2.gz VFNMILZPTUHGCI-UHFFFAOYSA-N 1 2 377.469 4.409 20 0 GIADLO O=c1nc(C[N@@H+](Cc2ccccc2)C2CC2)[nH]c2scc(-c3ccco3)c21 ZINC000025216803 819944213 /nfs/dbraw/zinc/94/42/13/819944213.db2.gz VFNMILZPTUHGCI-UHFFFAOYSA-N 1 2 377.469 4.409 20 0 GIADLO CC(C)COc1ccc(CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410267408 823441377 /nfs/dbraw/zinc/44/13/77/823441377.db2.gz HCGWBYCMLHFKHC-HXUWFJFHSA-N 1 2 395.547 4.203 20 0 GIADLO CCOCc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000189549085 823441653 /nfs/dbraw/zinc/44/16/53/823441653.db2.gz PIGUHHVTNIMBAK-WOJBJXKFSA-N 1 2 389.446 4.068 20 0 GIADLO CCOCc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000189549085 823441655 /nfs/dbraw/zinc/44/16/55/823441655.db2.gz PIGUHHVTNIMBAK-WOJBJXKFSA-N 1 2 389.446 4.068 20 0 GIADLO C[C@]1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCc2ccccc2C1 ZINC000410267900 823441779 /nfs/dbraw/zinc/44/17/79/823441779.db2.gz IJKBIPQDDRNZAH-YKSBVNFPSA-N 1 2 377.532 4.121 20 0 GIADLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)Nc1cccc(C(F)(F)F)c1 ZINC000025415812 819977199 /nfs/dbraw/zinc/97/71/99/819977199.db2.gz OYNKMHCDTXVQMB-HXUWFJFHSA-N 1 2 385.389 4.418 20 0 GIADLO CC1CCN(c2nn(C[N@H+](C)[C@@H]3CCC[C@@H](C)C3)c(=S)n2C2CC2)CC1 ZINC000025485357 819989653 /nfs/dbraw/zinc/98/96/53/819989653.db2.gz OKTQFPNVASCEKF-SJLPKXTDSA-N 1 2 377.602 4.453 20 0 GIADLO CC1CCN(c2nn(C[N@@H+](C)[C@@H]3CCC[C@@H](C)C3)c(=S)n2C2CC2)CC1 ZINC000025485357 819989663 /nfs/dbraw/zinc/98/96/63/819989663.db2.gz OKTQFPNVASCEKF-SJLPKXTDSA-N 1 2 377.602 4.453 20 0 GIADLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(F)ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000189558271 823443681 /nfs/dbraw/zinc/44/36/81/823443681.db2.gz WPNNYLRALLGEIZ-WBVHZDCISA-N 1 2 383.801 4.324 20 0 GIADLO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(F)ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000189558271 823443684 /nfs/dbraw/zinc/44/36/84/823443684.db2.gz WPNNYLRALLGEIZ-WBVHZDCISA-N 1 2 383.801 4.324 20 0 GIADLO CCSc1ccc(CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410272520 823443868 /nfs/dbraw/zinc/44/38/68/823443868.db2.gz MBQXCTIPYWRRKY-SFHVURJKSA-N 1 2 383.561 4.280 20 0 GIADLO CCN(c1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1)C(C)C ZINC000410274234 823444506 /nfs/dbraw/zinc/44/45/06/823444506.db2.gz BWSQYCUTTUMAHX-HXUWFJFHSA-N 1 2 394.563 4.474 20 0 GIADLO C[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)n1cc[nH+]c1 ZINC000573095143 823446787 /nfs/dbraw/zinc/44/67/87/823446787.db2.gz YDRDNIZDLRQLNB-SECBINFHSA-N 1 2 378.206 4.059 20 0 GIADLO CC(C)(COCc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281415 823447323 /nfs/dbraw/zinc/44/73/23/823447323.db2.gz IYFXMMFYTDHREH-FQEVSTJZSA-N 1 2 395.547 4.168 20 0 GIADLO O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281937 823447383 /nfs/dbraw/zinc/44/73/83/823447383.db2.gz NDLHHBXUIHXUJV-CQSZACIVSA-N 1 2 395.400 4.397 20 0 GIADLO Cc1cc(OCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1C(C)C ZINC000410294483 823453187 /nfs/dbraw/zinc/45/31/87/823453187.db2.gz ZWWVCHIHJGCIIW-IBGZPJMESA-N 1 2 395.547 4.436 20 0 GIADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1C ZINC000025937391 820042172 /nfs/dbraw/zinc/04/21/72/820042172.db2.gz IUISYHDMKUNVFZ-KRWDZBQOSA-N 1 2 396.531 4.456 20 0 GIADLO Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(Cl)c1 ZINC000026117377 820060210 /nfs/dbraw/zinc/06/02/10/820060210.db2.gz UGDKIQYFCLELNK-QFIPXVFZSA-N 1 2 386.923 4.341 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc2cc(F)ccc2s1 ZINC000026216479 820069959 /nfs/dbraw/zinc/06/99/59/820069959.db2.gz QFQACNYBHZZHAA-UHFFFAOYSA-N 1 2 379.460 4.258 20 0 GIADLO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)c1nnc2ccccn21 ZINC000123033264 823451043 /nfs/dbraw/zinc/45/10/43/823451043.db2.gz SSHQHBXWUVCAPM-KRWDZBQOSA-N 1 2 388.519 4.122 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)cc1OC(F)F ZINC000026452532 820098791 /nfs/dbraw/zinc/09/87/91/820098791.db2.gz QPZHXILQNBIGQJ-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)cc1OC(F)F ZINC000026452532 820098805 /nfs/dbraw/zinc/09/88/05/820098805.db2.gz QPZHXILQNBIGQJ-UHFFFAOYSA-N 1 2 398.837 4.329 20 0 GIADLO CCC[NH+](CCC)Cn1nc(Nc2cccc(NC(C)=O)c2)sc1=S ZINC000026607451 820120816 /nfs/dbraw/zinc/12/08/16/820120816.db2.gz JBTAJSXPPPDCFX-UHFFFAOYSA-N 1 2 379.555 4.456 20 0 GIADLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000177411165 823455605 /nfs/dbraw/zinc/45/56/05/823455605.db2.gz UYIWJDUWJZFXHZ-ACJLOTCBSA-N 1 2 385.851 4.030 20 0 GIADLO O=C(CO[C@@H]1CCCc2ccccc21)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410301863 823456164 /nfs/dbraw/zinc/45/61/64/823456164.db2.gz BGPWUULVRYLRRO-DENIHFKCSA-N 1 2 393.531 4.020 20 0 GIADLO Cc1cc(Br)cn2c(CN3CC(C)(C)[C@H]3c3ccncc3)c[nH+]c12 ZINC000573153022 823456225 /nfs/dbraw/zinc/45/62/25/823456225.db2.gz LRJHECISPOVMSV-QGZVFWFLSA-N 1 2 385.309 4.383 20 0 GIADLO Cc1ccc(OCCCCNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000058809524 823456260 /nfs/dbraw/zinc/45/62/60/823456260.db2.gz MENMPROFHRWTKQ-QFIPXVFZSA-N 1 2 398.572 4.060 20 0 GIADLO Cc1nc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)s2)sc1C ZINC000026905020 820161964 /nfs/dbraw/zinc/16/19/64/820161964.db2.gz GAVFHEBHLBMZOO-SECBINFHSA-N 1 2 388.356 4.043 20 0 GIADLO Cc1nc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)s2)sc1C ZINC000026905020 820161968 /nfs/dbraw/zinc/16/19/68/820161968.db2.gz GAVFHEBHLBMZOO-SECBINFHSA-N 1 2 388.356 4.043 20 0 GIADLO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3CC(=O)c3cccs3)n2)cc1 ZINC000177399896 823453817 /nfs/dbraw/zinc/45/38/17/823453817.db2.gz WIYIQNPMENFUHV-MRXNPFEDSA-N 1 2 397.500 4.434 20 0 GIADLO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3CC(=O)c3cccs3)n2)cc1 ZINC000177399896 823453823 /nfs/dbraw/zinc/45/38/23/823453823.db2.gz WIYIQNPMENFUHV-MRXNPFEDSA-N 1 2 397.500 4.434 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccccc1OCC1CC1 ZINC000410312478 823460127 /nfs/dbraw/zinc/46/01/27/823460127.db2.gz CQZHTANYMFTKRX-UHFFFAOYSA-N 1 2 379.504 4.181 20 0 GIADLO CCn1c(C)cc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1C ZINC000027161843 820203390 /nfs/dbraw/zinc/20/33/90/820203390.db2.gz XBQNMWULDBJMJI-UHFFFAOYSA-N 1 2 393.453 4.102 20 0 GIADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc(-c2ccccc2)on1 ZINC000410319290 823461758 /nfs/dbraw/zinc/46/17/58/823461758.db2.gz MXDHLWHNILJVTC-UHFFFAOYSA-N 1 2 376.460 4.047 20 0 GIADLO O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000027373089 820233336 /nfs/dbraw/zinc/23/33/36/820233336.db2.gz MTHIRIAIHZTAFC-QFIPXVFZSA-N 1 2 391.540 4.246 20 0 GIADLO O=C(Cc1coc2cc3c(cc12)CCC3)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000027474241 820249411 /nfs/dbraw/zinc/24/94/11/820249411.db2.gz KQEUNLLHRWJYED-UHFFFAOYSA-N 1 2 399.494 4.068 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc(F)c(Cl)cc1Cl ZINC000027481173 820249997 /nfs/dbraw/zinc/24/99/97/820249997.db2.gz ZREOBKPNLLCFPR-UHFFFAOYSA-N 1 2 392.261 4.350 20 0 GIADLO Cc1[nH]c2ccc(CNC(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)cc2c1C ZINC000058866908 823464493 /nfs/dbraw/zinc/46/44/93/823464493.db2.gz BTWSVTWGADQEIF-QFIPXVFZSA-N 1 2 393.556 4.191 20 0 GIADLO C[C@@H](C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1cn(C)c2ccccc12 ZINC000410330900 823465451 /nfs/dbraw/zinc/46/54/51/823465451.db2.gz YURJFQUVMCLABV-MSOLQXFVSA-N 1 2 390.531 4.221 20 0 GIADLO Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000027544714 820258299 /nfs/dbraw/zinc/25/82/99/820258299.db2.gz LWZBLEWAKFBTTK-UHFFFAOYSA-N 1 2 377.488 4.058 20 0 GIADLO C[C@H](CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)n1cc[nH+]c1 ZINC000573210651 823466013 /nfs/dbraw/zinc/46/60/13/823466013.db2.gz QEVLEBVNPPTJHA-YGRLFVJLSA-N 1 2 379.304 4.273 20 0 GIADLO CCOc1cccc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)c1 ZINC000410337139 823467033 /nfs/dbraw/zinc/46/70/33/823467033.db2.gz HVPBJEPVEDRFRT-MRXNPFEDSA-N 1 2 388.533 4.246 20 0 GIADLO CCOc1cccc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)c1 ZINC000410337139 823467036 /nfs/dbraw/zinc/46/70/36/823467036.db2.gz HVPBJEPVEDRFRT-MRXNPFEDSA-N 1 2 388.533 4.246 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000027879945 820292974 /nfs/dbraw/zinc/29/29/74/820292974.db2.gz MSWSGBKMDOSYHI-IBGZPJMESA-N 1 2 379.548 4.269 20 0 GIADLO Cc1cccc(COc2cccc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2)c1 ZINC000027989221 820302984 /nfs/dbraw/zinc/30/29/84/820302984.db2.gz BAMROULBCDILQH-UHFFFAOYSA-N 1 2 393.512 4.271 20 0 GIADLO Cc1cccc(COc2cccc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2)c1 ZINC000027989221 820302995 /nfs/dbraw/zinc/30/29/95/820302995.db2.gz BAMROULBCDILQH-UHFFFAOYSA-N 1 2 393.512 4.271 20 0 GIADLO COCC[N@@H+](Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)CC(C)C ZINC000058907379 823469105 /nfs/dbraw/zinc/46/91/05/823469105.db2.gz HGPXBLKXLRAOSI-UHFFFAOYSA-N 1 2 379.501 4.071 20 0 GIADLO COCC[N@H+](Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)CC(C)C ZINC000058907379 823469111 /nfs/dbraw/zinc/46/91/11/823469111.db2.gz HGPXBLKXLRAOSI-UHFFFAOYSA-N 1 2 379.501 4.071 20 0 GIADLO COc1cccc(Cn2c3ccccc3[nH+]c2NCc2ccc3c(c2)ncn3C)c1 ZINC000460663767 823470672 /nfs/dbraw/zinc/47/06/72/823470672.db2.gz ULUKLTHWEJKMIS-UHFFFAOYSA-N 1 2 397.482 4.014 20 0 GIADLO COc1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c(C)c(OC)c1 ZINC000410351389 823470630 /nfs/dbraw/zinc/47/06/30/823470630.db2.gz XIQVORACIPWNSN-HXUWFJFHSA-N 1 2 386.467 4.145 20 0 GIADLO COc1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c(C)c(OC)c1 ZINC000410351389 823470634 /nfs/dbraw/zinc/47/06/34/823470634.db2.gz XIQVORACIPWNSN-HXUWFJFHSA-N 1 2 386.467 4.145 20 0 GIADLO COc1ccc(NC(=O)[C@H]([NH2+]Cc2ccccc2OC)c2ccccc2)cc1 ZINC000028621949 820346048 /nfs/dbraw/zinc/34/60/48/820346048.db2.gz AWSAJSPCNNNUNC-JOCHJYFZSA-N 1 2 376.456 4.173 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CSc3ccc(F)cc3)n2)C1 ZINC000028682423 820349654 /nfs/dbraw/zinc/34/96/54/820349654.db2.gz VJYXARRRNYANHT-CYBMUJFWSA-N 1 2 379.526 4.245 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CSc3ccc(F)cc3)n2)C1 ZINC000028682423 820349662 /nfs/dbraw/zinc/34/96/62/820349662.db2.gz VJYXARRRNYANHT-CYBMUJFWSA-N 1 2 379.526 4.245 20 0 GIADLO COc1ccc(Cl)cc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000028681947 820349771 /nfs/dbraw/zinc/34/97/71/820349771.db2.gz KTHPIEUUGBCDSE-GFCCVEGCSA-N 1 2 379.913 4.289 20 0 GIADLO COc1ccc(Cl)cc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000028681947 820349780 /nfs/dbraw/zinc/34/97/80/820349780.db2.gz KTHPIEUUGBCDSE-GFCCVEGCSA-N 1 2 379.913 4.289 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3c(F)cccc3Cl)n2)C1 ZINC000028683123 820350536 /nfs/dbraw/zinc/35/05/36/820350536.db2.gz CRFSXDMHRRSSTJ-GFCCVEGCSA-N 1 2 381.904 4.349 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3c(F)cccc3Cl)n2)C1 ZINC000028683123 820350546 /nfs/dbraw/zinc/35/05/46/820350546.db2.gz CRFSXDMHRRSSTJ-GFCCVEGCSA-N 1 2 381.904 4.349 20 0 GIADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(-n4cccc4)cc3)n2)C1 ZINC000028684061 820350964 /nfs/dbraw/zinc/35/09/64/820350964.db2.gz REDJLMAXVUNZFV-INIZCTEOSA-N 1 2 380.517 4.418 20 0 GIADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(-n4cccc4)cc3)n2)C1 ZINC000028684061 820350975 /nfs/dbraw/zinc/35/09/75/820350975.db2.gz REDJLMAXVUNZFV-INIZCTEOSA-N 1 2 380.517 4.418 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000123188396 823476283 /nfs/dbraw/zinc/47/62/83/823476283.db2.gz PLYSHMISGBGZRN-HOCLYGCPSA-N 1 2 392.484 4.476 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)COc2ccc(Cl)cc2Cl)c1C ZINC000058958666 823476396 /nfs/dbraw/zinc/47/63/96/823476396.db2.gz RZZDVCDNEORRHF-UHFFFAOYSA-N 1 2 383.275 4.051 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)C[C@@H]3COc4ccccc4O3)o2)cc1C ZINC000177504282 823478676 /nfs/dbraw/zinc/47/86/76/823478676.db2.gz NBRDXBMLVFNHIY-FUHWJXTLSA-N 1 2 379.460 4.186 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)C[C@@H]3COc4ccccc4O3)o2)cc1C ZINC000177504282 823478680 /nfs/dbraw/zinc/47/86/80/823478680.db2.gz NBRDXBMLVFNHIY-FUHWJXTLSA-N 1 2 379.460 4.186 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189704101 823479295 /nfs/dbraw/zinc/47/92/95/823479295.db2.gz HITPJGUCUZLHBO-OFNKIYASSA-N 1 2 388.515 4.142 20 0 GIADLO O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029536127 820471333 /nfs/dbraw/zinc/47/13/33/820471333.db2.gz ACCVZFDOCUTXMY-UKILVPOCSA-N 1 2 389.495 4.167 20 0 GIADLO O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029536127 820471342 /nfs/dbraw/zinc/47/13/42/820471342.db2.gz ACCVZFDOCUTXMY-UKILVPOCSA-N 1 2 389.495 4.167 20 0 GIADLO CC[C@@](C)(O)C[N@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccccc1 ZINC000189722935 823482158 /nfs/dbraw/zinc/48/21/58/823482158.db2.gz DYAQVBLKGZMNNB-HSZRJFAPSA-N 1 2 379.504 4.018 20 0 GIADLO CC[C@@](C)(O)C[N@@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccccc1 ZINC000189722935 823482160 /nfs/dbraw/zinc/48/21/60/823482160.db2.gz DYAQVBLKGZMNNB-HSZRJFAPSA-N 1 2 379.504 4.018 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3csc(-c4ccco4)n3)n2)C1 ZINC000029601879 820482565 /nfs/dbraw/zinc/48/25/65/820482565.db2.gz OMBWBJVQOFARJA-GFCCVEGCSA-N 1 2 388.518 4.344 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3csc(-c4ccco4)n3)n2)C1 ZINC000029601879 820482566 /nfs/dbraw/zinc/48/25/66/820482566.db2.gz OMBWBJVQOFARJA-GFCCVEGCSA-N 1 2 388.518 4.344 20 0 GIADLO Cc1ccc(C)c(NC(=O)CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1 ZINC000029684657 820497210 /nfs/dbraw/zinc/49/72/10/820497210.db2.gz VPMPBSKULRBYGB-GOSISDBHSA-N 1 2 385.939 4.274 20 0 GIADLO CCCCn1c(SCc2cccc3c2OCCO3)nnc1[C@@H](CC)[NH+](C)C ZINC000177553394 823489539 /nfs/dbraw/zinc/48/95/39/823489539.db2.gz GSZIIHORWOUVBH-MRXNPFEDSA-N 1 2 390.553 4.154 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029825111 820524810 /nfs/dbraw/zinc/52/48/10/820524810.db2.gz INQRVYIMPWZONB-MAUKXSAKSA-N 1 2 391.471 4.237 20 0 GIADLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029825111 820524816 /nfs/dbraw/zinc/52/48/16/820524816.db2.gz INQRVYIMPWZONB-MAUKXSAKSA-N 1 2 391.471 4.237 20 0 GIADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827417 820526539 /nfs/dbraw/zinc/52/65/39/820526539.db2.gz OURZUARGFBJHMX-ZIAGYGMSSA-N 1 2 384.867 4.083 20 0 GIADLO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827417 820526548 /nfs/dbraw/zinc/52/65/48/820526548.db2.gz OURZUARGFBJHMX-ZIAGYGMSSA-N 1 2 384.867 4.083 20 0 GIADLO Cc1cc(CSc2ncccc2C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000029913497 820546695 /nfs/dbraw/zinc/54/66/95/820546695.db2.gz BFNAPBLQKILCHZ-UHFFFAOYSA-N 1 2 391.456 4.108 20 0 GIADLO O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029911891 820546724 /nfs/dbraw/zinc/54/67/24/820546724.db2.gz NEYQPWIFWIXDTC-UHFFFAOYSA-N 1 2 376.391 4.238 20 0 GIADLO CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000029916096 820547465 /nfs/dbraw/zinc/54/74/65/820547465.db2.gz AGITYZDEJFGIIJ-UHFFFAOYSA-N 1 2 378.432 4.472 20 0 GIADLO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029915311 820547610 /nfs/dbraw/zinc/54/76/10/820547610.db2.gz RKRWWBKSEIYXQN-UHFFFAOYSA-N 1 2 377.835 4.272 20 0 GIADLO C[C@H]1SCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000573402768 823488881 /nfs/dbraw/zinc/48/88/81/823488881.db2.gz OUYNUKUVRBHJBC-DYESRHJHSA-N 1 2 377.513 4.250 20 0 GIADLO Cc1cc(OCCCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1Cl ZINC000030012207 820568974 /nfs/dbraw/zinc/56/89/74/820568974.db2.gz FJKVMASCAJRZJO-UHFFFAOYSA-N 1 2 387.911 4.119 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000030030285 820571553 /nfs/dbraw/zinc/57/15/53/820571553.db2.gz WZRLJRGLQLXUKH-IBGZPJMESA-N 1 2 395.503 4.387 20 0 GIADLO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000030030285 820571559 /nfs/dbraw/zinc/57/15/59/820571559.db2.gz WZRLJRGLQLXUKH-IBGZPJMESA-N 1 2 395.503 4.387 20 0 GIADLO Cc1nc(-c2cccs2)sc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030030282 820571786 /nfs/dbraw/zinc/57/17/86/820571786.db2.gz BEALVQLBOBEGKK-MRXNPFEDSA-N 1 2 383.542 4.309 20 0 GIADLO Cc1nc(-c2cccs2)sc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030030282 820571791 /nfs/dbraw/zinc/57/17/91/820571791.db2.gz BEALVQLBOBEGKK-MRXNPFEDSA-N 1 2 383.542 4.309 20 0 GIADLO Cc1nc2cc(Cl)c(NC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)cc2s1 ZINC000573522684 823493996 /nfs/dbraw/zinc/49/39/96/823493996.db2.gz LCLRMWVEYOFHJT-LLVKDONJSA-N 1 2 375.885 4.013 20 0 GIADLO CCCOc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1OCC ZINC000030219963 820589024 /nfs/dbraw/zinc/58/90/24/820589024.db2.gz VXJBQBJADQUALL-UHFFFAOYSA-N 1 2 393.487 4.049 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000030223985 820589884 /nfs/dbraw/zinc/58/98/84/820589884.db2.gz FSGTZWPPNKJHCO-HNNXBMFYSA-N 1 2 394.924 4.367 20 0 GIADLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000030223985 820589887 /nfs/dbraw/zinc/58/98/87/820589887.db2.gz FSGTZWPPNKJHCO-HNNXBMFYSA-N 1 2 394.924 4.367 20 0 GIADLO C[N@H+](CCCOc1ccc(F)cc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000030268097 820592252 /nfs/dbraw/zinc/59/22/52/820592252.db2.gz OUZAUKMSNGJKAB-UHFFFAOYSA-N 1 2 381.407 4.122 20 0 GIADLO C[N@@H+](CCCOc1ccc(F)cc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000030268097 820592257 /nfs/dbraw/zinc/59/22/57/820592257.db2.gz OUZAUKMSNGJKAB-UHFFFAOYSA-N 1 2 381.407 4.122 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1scnc1C(C)C ZINC000573419818 823491544 /nfs/dbraw/zinc/49/15/44/823491544.db2.gz VBJZYXQFUNQKEJ-UHFFFAOYSA-N 1 2 387.553 4.432 20 0 GIADLO COc1ccc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000030564678 820642025 /nfs/dbraw/zinc/64/20/25/820642025.db2.gz FWVSLBUQACUSHT-UHFFFAOYSA-N 1 2 376.441 4.257 20 0 GIADLO COc1cccc(Cc2cnc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)s2)c1 ZINC000030602551 820647985 /nfs/dbraw/zinc/64/79/85/820647985.db2.gz ZADOAYDQIJXODO-UHFFFAOYSA-N 1 2 390.468 4.181 20 0 GIADLO Cc1nc(-c2ccccc2)sc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030656419 820659259 /nfs/dbraw/zinc/65/92/59/820659259.db2.gz FBMMGCCPZWQUQH-UHFFFAOYSA-N 1 2 388.496 4.293 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000123328015 823496892 /nfs/dbraw/zinc/49/68/92/823496892.db2.gz RALRQQWSCRGZLW-XHDPSFHLSA-N 1 2 382.689 4.022 20 0 GIADLO Cc1cccc2nc(C3CC[NH+](CC(=O)Nc4cc(F)cc(F)c4)CC3)oc21 ZINC000189803450 823497373 /nfs/dbraw/zinc/49/73/73/823497373.db2.gz MNBHPZNQRFLTFV-UHFFFAOYSA-N 1 2 385.414 4.233 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000177627105 823503831 /nfs/dbraw/zinc/50/38/31/823503831.db2.gz VSOZRLFGAPATMS-SFHVURJKSA-N 1 2 376.485 4.179 20 0 GIADLO COc1c(Cl)cc(Cl)cc1C[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000123397703 823505546 /nfs/dbraw/zinc/50/55/46/823505546.db2.gz CPAPCBJCZGGDSD-UHFFFAOYSA-N 1 2 398.290 4.149 20 0 GIADLO C[C@@H]1CCN(C(=O)CCc2cccc(OC3CCCC3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123360861 823501402 /nfs/dbraw/zinc/50/14/02/823501402.db2.gz CGDBEQCIDWRIMR-GCJKJVERSA-N 1 2 381.520 4.247 20 0 GIADLO Cc1cccc2nc(C3CC[NH+](Cc4nnc(C5CC5)n4C4CC4)CC3)oc21 ZINC000189820200 823501786 /nfs/dbraw/zinc/50/17/86/823501786.db2.gz UHJRYACTQTUAGJ-UHFFFAOYSA-N 1 2 377.492 4.320 20 0 GIADLO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCC[N@@H+]1CCc1cncs1 ZINC000411364516 823566710 /nfs/dbraw/zinc/56/67/10/823566710.db2.gz LRCJSVILBYSFDO-MRXNPFEDSA-N 1 2 384.332 4.486 20 0 GIADLO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCC[N@H+]1CCc1cncs1 ZINC000411364516 823566712 /nfs/dbraw/zinc/56/67/12/823566712.db2.gz LRCJSVILBYSFDO-MRXNPFEDSA-N 1 2 384.332 4.486 20 0 GIADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cccc3c(C)c(C)[nH]c32)CC1 ZINC000032236576 820903503 /nfs/dbraw/zinc/90/35/03/820903503.db2.gz GYLOYNNYRJEINQ-UHFFFAOYSA-N 1 2 391.515 4.060 20 0 GIADLO CCC(=O)N1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000123525651 823517601 /nfs/dbraw/zinc/51/76/01/823517601.db2.gz RMNBYJQIHQVMJP-LBPRGKRZSA-N 1 2 397.306 4.049 20 0 GIADLO CCC(=O)N1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000123525651 823517603 /nfs/dbraw/zinc/51/76/03/823517603.db2.gz RMNBYJQIHQVMJP-LBPRGKRZSA-N 1 2 397.306 4.049 20 0 GIADLO C[N@H+](CCc1ccncc1)Cc1c(F)c(F)c(Br)c(F)c1F ZINC000411438791 823574163 /nfs/dbraw/zinc/57/41/63/823574163.db2.gz KQLJXKBFQAOZMG-UHFFFAOYSA-N 1 2 377.179 4.075 20 0 GIADLO C[N@@H+](CCc1ccncc1)Cc1c(F)c(F)c(Br)c(F)c1F ZINC000411438791 823574164 /nfs/dbraw/zinc/57/41/64/823574164.db2.gz KQLJXKBFQAOZMG-UHFFFAOYSA-N 1 2 377.179 4.075 20 0 GIADLO Cc1nc2ccccc2n1CCc1noc(/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000460819623 823521615 /nfs/dbraw/zinc/52/16/15/823521615.db2.gz ZNBMWMFYTOQXRQ-FLIBITNWSA-N 1 2 396.454 4.327 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000032938767 821020805 /nfs/dbraw/zinc/02/08/05/821020805.db2.gz KTSXLDUEKNTWAL-UHFFFAOYSA-N 1 2 380.451 4.496 20 0 GIADLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000033220751 821050234 /nfs/dbraw/zinc/05/02/34/821050234.db2.gz JTNZLASCASXAPZ-OAHLLOKOSA-N 1 2 390.443 4.150 20 0 GIADLO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000190032875 823528639 /nfs/dbraw/zinc/52/86/39/823528639.db2.gz LCUXLHWJEMQBIU-DEOSSOPVSA-N 1 2 387.483 4.129 20 0 GIADLO Cc1cc(I)ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000035039287 821063995 /nfs/dbraw/zinc/06/39/95/821063995.db2.gz ZZMMWSLXTFAPLN-UHFFFAOYSA-N 1 2 389.240 4.397 20 0 GIADLO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000190032875 823528644 /nfs/dbraw/zinc/52/86/44/823528644.db2.gz LCUXLHWJEMQBIU-DEOSSOPVSA-N 1 2 387.483 4.129 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)/C=C/c2cccs2)cc1 ZINC000060447429 823528817 /nfs/dbraw/zinc/52/88/17/823528817.db2.gz MRUFXWCWJWVQBK-ZHACJKMWSA-N 1 2 395.528 4.476 20 0 GIADLO CCc1cc2c(C[N@H+](C)Cc3nc4ccccc4s3)cc(=O)oc2cc1O ZINC000038306823 821095270 /nfs/dbraw/zinc/09/52/70/821095270.db2.gz ZELLITCLKQJMOM-UHFFFAOYSA-N 1 2 380.469 4.303 20 0 GIADLO CCc1cc2c(C[N@@H+](C)Cc3nc4ccccc4s3)cc(=O)oc2cc1O ZINC000038306823 821095280 /nfs/dbraw/zinc/09/52/80/821095280.db2.gz ZELLITCLKQJMOM-UHFFFAOYSA-N 1 2 380.469 4.303 20 0 GIADLO Cc1nc(CN2CC[N@H+](Cc3csc(C)n3)C3(CCCCC3)C2)cs1 ZINC000177821095 823530817 /nfs/dbraw/zinc/53/08/17/823530817.db2.gz ODDVZAYEMRWZOX-UHFFFAOYSA-N 1 2 376.595 4.237 20 0 GIADLO Cc1nc(CN2CC[N@@H+](Cc3csc(C)n3)C3(CCCCC3)C2)cs1 ZINC000177821095 823530819 /nfs/dbraw/zinc/53/08/19/823530819.db2.gz ODDVZAYEMRWZOX-UHFFFAOYSA-N 1 2 376.595 4.237 20 0 GIADLO Cc1nc(CN2CC[N@H+](Cc3csc(C)n3)CC23CCCCC3)cs1 ZINC000177821095 823530821 /nfs/dbraw/zinc/53/08/21/823530821.db2.gz ODDVZAYEMRWZOX-UHFFFAOYSA-N 1 2 376.595 4.237 20 0 GIADLO Cc1nc(CN2CC[N@@H+](Cc3csc(C)n3)CC23CCCCC3)cs1 ZINC000177821095 823530824 /nfs/dbraw/zinc/53/08/24/823530824.db2.gz ODDVZAYEMRWZOX-UHFFFAOYSA-N 1 2 376.595 4.237 20 0 GIADLO CC(C)c1c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cnn1-c1ccc(F)cc1 ZINC000123694138 823532300 /nfs/dbraw/zinc/53/23/00/823532300.db2.gz BAWIDUBOAYMEEF-OXQOHEQNSA-N 1 2 395.482 4.055 20 0 GIADLO COCC1(CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)CCC1 ZINC000460869738 823532958 /nfs/dbraw/zinc/53/29/58/823532958.db2.gz QFJLSSGYFMADMP-CQSZACIVSA-N 1 2 394.972 4.452 20 0 GIADLO O=C(C1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1)N1CCCCC1 ZINC000041106532 821170675 /nfs/dbraw/zinc/17/06/75/821170675.db2.gz IJLKWPVKGVOFQG-UHFFFAOYSA-N 1 2 384.549 4.111 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)c1C ZINC000060546736 823540879 /nfs/dbraw/zinc/54/08/79/823540879.db2.gz FUEDYMJTZJHYRE-KRWDZBQOSA-N 1 2 385.508 4.464 20 0 GIADLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1 ZINC000123749189 823537034 /nfs/dbraw/zinc/53/70/34/823537034.db2.gz HCGKUZXYSZZFDN-IBGZPJMESA-N 1 2 376.508 4.040 20 0 GIADLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1 ZINC000123749189 823537038 /nfs/dbraw/zinc/53/70/38/823537038.db2.gz HCGKUZXYSZZFDN-IBGZPJMESA-N 1 2 376.508 4.040 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCOc2cccc3ccccc32)c1C ZINC000060549783 823541264 /nfs/dbraw/zinc/54/12/64/823541264.db2.gz PAXFFYGPVRUYGQ-UHFFFAOYSA-N 1 2 393.487 4.081 20 0 GIADLO CCCCNC(=O)C1CC[NH+](Cn2cc(-c3ccc(F)cc3)oc2=S)CC1 ZINC000042095155 821264561 /nfs/dbraw/zinc/26/45/61/821264561.db2.gz YWISJGPNQILYQE-UHFFFAOYSA-N 1 2 391.512 4.202 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NC1CCCCC1 ZINC000042882024 821341554 /nfs/dbraw/zinc/34/15/54/821341554.db2.gz XJWQGYRILOTYFR-UHFFFAOYSA-N 1 2 384.524 4.216 20 0 GIADLO COc1ccc([C@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)C2CC2)cc1 ZINC000042476582 821308394 /nfs/dbraw/zinc/30/83/94/821308394.db2.gz KMHADTBAUNSONC-JOCHJYFZSA-N 1 2 395.528 4.152 20 0 GIADLO CCc1cccc(CC)c1NC(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000042531891 821309999 /nfs/dbraw/zinc/30/99/99/821309999.db2.gz POIGUZKGXXTBPH-KRWDZBQOSA-N 1 2 385.577 4.018 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCc2ccccc2)C[C@@H](C)O1 ZINC000042997895 821353214 /nfs/dbraw/zinc/35/32/14/821353214.db2.gz MEZWGSAVSFJYPT-RTBURBONSA-N 1 2 381.520 4.050 20 0 GIADLO Cc1cc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000043192338 821376763 /nfs/dbraw/zinc/37/67/63/821376763.db2.gz HPYXOVKBZWYTFX-UHFFFAOYSA-N 1 2 381.524 4.386 20 0 GIADLO CC(=O)c1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000043238907 821379724 /nfs/dbraw/zinc/37/97/24/821379724.db2.gz SMMJEMAOMHSVDM-UHFFFAOYSA-N 1 2 385.895 4.282 20 0 GIADLO CC(=O)c1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000043238907 821379737 /nfs/dbraw/zinc/37/97/37/821379737.db2.gz SMMJEMAOMHSVDM-UHFFFAOYSA-N 1 2 385.895 4.282 20 0 GIADLO CC[C@H](CSC)[N@H+](C)Cc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000180664336 821387302 /nfs/dbraw/zinc/38/73/02/821387302.db2.gz ZEDLFZIUMITAJN-MRXNPFEDSA-N 1 2 393.578 4.410 20 0 GIADLO CC[C@H](CSC)[N@@H+](C)Cc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000180664336 821387306 /nfs/dbraw/zinc/38/73/06/821387306.db2.gz ZEDLFZIUMITAJN-MRXNPFEDSA-N 1 2 393.578 4.410 20 0 GIADLO CCOc1cccc([C@@H](C)[NH2+]Cc2nc(-c3ccc(OC)cc3OC)no2)c1 ZINC000180711670 821410763 /nfs/dbraw/zinc/41/07/63/821410763.db2.gz AIGFHFPZMAHNJY-CQSZACIVSA-N 1 2 383.448 4.003 20 0 GIADLO CCOc1ccc([C@H](C)NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000043517035 821420728 /nfs/dbraw/zinc/42/07/28/821420728.db2.gz UMMIYHIVRWWJLN-HNNXBMFYSA-N 1 2 388.537 4.410 20 0 GIADLO C[C@@H](CCc1ccco1)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000043547290 821424691 /nfs/dbraw/zinc/42/46/91/821424691.db2.gz ORBPNFIJKJCAAB-CABCVRRESA-N 1 2 376.526 4.111 20 0 GIADLO C[C@@H](CCc1ccco1)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000043547290 821424694 /nfs/dbraw/zinc/42/46/94/821424694.db2.gz ORBPNFIJKJCAAB-CABCVRRESA-N 1 2 376.526 4.111 20 0 GIADLO COc1ccc(OC(F)F)c(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180753559 821435557 /nfs/dbraw/zinc/43/55/57/821435557.db2.gz JJKUIVNVDYXIKZ-LJQANCHMSA-N 1 2 391.393 4.048 20 0 GIADLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000180810378 821471569 /nfs/dbraw/zinc/47/15/69/821471569.db2.gz WCGCWZLLGBBISH-HNNXBMFYSA-N 1 2 394.500 4.027 20 0 GIADLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000180810378 821471572 /nfs/dbraw/zinc/47/15/72/821471572.db2.gz WCGCWZLLGBBISH-HNNXBMFYSA-N 1 2 394.500 4.027 20 0 GIADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000180831949 821485243 /nfs/dbraw/zinc/48/52/43/821485243.db2.gz IQYVHDZWDXUMKH-CZUORRHYSA-N 1 2 381.549 4.376 20 0 GIADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000180831949 821485246 /nfs/dbraw/zinc/48/52/46/821485246.db2.gz IQYVHDZWDXUMKH-CZUORRHYSA-N 1 2 381.549 4.376 20 0 GIADLO CS(=O)(=O)CC1(C[NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000180928585 821543093 /nfs/dbraw/zinc/54/30/93/821543093.db2.gz AWEZTNPCDUDZOX-GOSISDBHSA-N 1 2 399.890 4.122 20 0 GIADLO Cc1[nH]c2ccc(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)cc2[nH+]1 ZINC000044366801 821578513 /nfs/dbraw/zinc/57/85/13/821578513.db2.gz DGGCZGVXZRCHDS-UHFFFAOYSA-N 1 2 380.448 4.400 20 0 GIADLO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccc(F)c(F)c1 ZINC000044438929 821587350 /nfs/dbraw/zinc/58/73/50/821587350.db2.gz KGFYOQIBBZNGOU-UHFFFAOYSA-N 1 2 395.453 4.194 20 0 GIADLO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccc(F)c(F)c1 ZINC000044438929 821587357 /nfs/dbraw/zinc/58/73/57/821587357.db2.gz KGFYOQIBBZNGOU-UHFFFAOYSA-N 1 2 395.453 4.194 20 0 GIADLO COc1ccccc1OCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568262 821610413 /nfs/dbraw/zinc/61/04/13/821610413.db2.gz FPOKNSKJJXYYCX-UHFFFAOYSA-N 1 2 391.471 4.303 20 0 GIADLO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc4cnccc43)c2C1 ZINC000181072731 821619275 /nfs/dbraw/zinc/61/92/75/821619275.db2.gz COKXTQLFJAANCO-UHFFFAOYSA-N 1 2 381.501 4.007 20 0 GIADLO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc4cnccc43)c2C1 ZINC000181072731 821619280 /nfs/dbraw/zinc/61/92/80/821619280.db2.gz COKXTQLFJAANCO-UHFFFAOYSA-N 1 2 381.501 4.007 20 0 GIADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181093235 821629375 /nfs/dbraw/zinc/62/93/75/821629375.db2.gz WSBPLYUMXYNBQB-AWEZNQCLSA-N 1 2 399.445 4.239 20 0 GIADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181093235 821629381 /nfs/dbraw/zinc/62/93/81/821629381.db2.gz WSBPLYUMXYNBQB-AWEZNQCLSA-N 1 2 399.445 4.239 20 0 GIADLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)n1 ZINC000181136523 821655868 /nfs/dbraw/zinc/65/58/68/821655868.db2.gz FHYHSNYPFUZPIJ-YWZLYKJASA-N 1 2 399.466 4.388 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000044898116 821677556 /nfs/dbraw/zinc/67/75/56/821677556.db2.gz UKCPFEVKBCYMMD-UHFFFAOYSA-N 1 2 379.323 4.422 20 0 GIADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000044898116 821677563 /nfs/dbraw/zinc/67/75/63/821677563.db2.gz UKCPFEVKBCYMMD-UHFFFAOYSA-N 1 2 379.323 4.422 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000181211590 821699662 /nfs/dbraw/zinc/69/96/62/821699662.db2.gz CFNJRSLIWDKVQU-OLZOCXBDSA-N 1 2 384.904 4.141 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181282529 821733733 /nfs/dbraw/zinc/73/37/33/821733733.db2.gz ITZXNRYTFIGSSC-ZDUSSCGKSA-N 1 2 398.850 4.197 20 0 GIADLO C[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1cccc(N2CCOC2=O)c1 ZINC000181299810 821743394 /nfs/dbraw/zinc/74/33/94/821743394.db2.gz KDNUUESRWGEXGM-CQSZACIVSA-N 1 2 381.407 4.288 20 0 GIADLO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181310217 821749083 /nfs/dbraw/zinc/74/90/83/821749083.db2.gz YZTZVFMRZUVONP-ZBFHGGJFSA-N 1 2 398.536 4.048 20 0 GIADLO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181310217 821749089 /nfs/dbraw/zinc/74/90/89/821749089.db2.gz YZTZVFMRZUVONP-ZBFHGGJFSA-N 1 2 398.536 4.048 20 0 GIADLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cc1NC(C)=O ZINC000181312690 821751311 /nfs/dbraw/zinc/75/13/11/821751311.db2.gz RSKIIDMRTVECBY-CYBMUJFWSA-N 1 2 382.489 4.023 20 0 GIADLO COc1cc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cc(OC)c1OC ZINC000181314426 821752657 /nfs/dbraw/zinc/75/26/57/821752657.db2.gz CQIMLYRAIZYYAR-CYBMUJFWSA-N 1 2 385.489 4.082 20 0 GIADLO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)o2)cc1 ZINC000181320782 821757571 /nfs/dbraw/zinc/75/75/71/821757571.db2.gz ZTFXWFMKZMCERI-CVEARBPZSA-N 1 2 392.459 4.413 20 0 GIADLO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1)c1ccccc1 ZINC000181383709 821798388 /nfs/dbraw/zinc/79/83/88/821798388.db2.gz KZCOXCQNRAKZKL-LJQANCHMSA-N 1 2 386.923 4.320 20 0 GIADLO CCOc1ccc([C@H](C)[NH2+]Cc2nc3oc(C)c(C)c3c(N)n2)cc1OCC ZINC000181385601 821799435 /nfs/dbraw/zinc/79/94/35/821799435.db2.gz AJOHGYVMFUBOTF-ZDUSSCGKSA-N 1 2 384.480 4.070 20 0 GIADLO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1cccc(N2CCCC2=O)c1 ZINC000181408191 821810390 /nfs/dbraw/zinc/81/03/90/821810390.db2.gz MLSIODUVORBVAB-OAHLLOKOSA-N 1 2 379.435 4.458 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1cccc(N2CCCC2=O)c1 ZINC000181423667 821819816 /nfs/dbraw/zinc/81/98/16/821819816.db2.gz VDXCFXSNBAYMFD-AWEZNQCLSA-N 1 2 396.878 4.368 20 0 GIADLO FC(F)(F)c1csc([C@@H]2CCC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)n1 ZINC000181510225 821860438 /nfs/dbraw/zinc/86/04/38/821860438.db2.gz FTUHCPQSFQICBR-GFCCVEGCSA-N 1 2 397.470 4.345 20 0 GIADLO FC(F)(F)c1csc([C@@H]2CCC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)n1 ZINC000181510225 821860450 /nfs/dbraw/zinc/86/04/50/821860450.db2.gz FTUHCPQSFQICBR-GFCCVEGCSA-N 1 2 397.470 4.345 20 0 GIADLO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000181556658 821880095 /nfs/dbraw/zinc/88/00/95/821880095.db2.gz RYAIZQSZUZZRDO-UHFFFAOYSA-N 1 2 388.443 4.071 20 0 GIADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181591932 821893872 /nfs/dbraw/zinc/89/38/72/821893872.db2.gz NPGSWNQFMAVJHR-INIZCTEOSA-N 1 2 395.482 4.058 20 0 GIADLO COCCCOc1cccc(C[NH2+][C@H](C)c2ncc(Br)s2)c1 ZINC000181602195 821898553 /nfs/dbraw/zinc/89/85/53/821898553.db2.gz AKRROOCOGNQIDA-GFCCVEGCSA-N 1 2 385.327 4.172 20 0 GIADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] ZINC000181824937 822007560 /nfs/dbraw/zinc/00/75/60/822007560.db2.gz RBNQUURHGLLXSY-CHWSQXEVSA-N 1 2 397.391 4.273 20 0 GIADLO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCCCNc1cccc[nH+]1 ZINC000181957569 822045819 /nfs/dbraw/zinc/04/58/19/822045819.db2.gz OOCRZBDEGVZSMX-UHFFFAOYSA-N 1 2 388.443 4.024 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(F)c(Cl)c1F ZINC000181989432 822055189 /nfs/dbraw/zinc/05/51/89/822055189.db2.gz OMAYANJAPVHINC-UHFFFAOYSA-N 1 2 380.822 4.011 20 0 GIADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000182203350 822145262 /nfs/dbraw/zinc/14/52/62/822145262.db2.gz DZLFZMIKNNRFDH-INIZCTEOSA-N 1 2 376.382 4.431 20 0 GIADLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000182203350 822145267 /nfs/dbraw/zinc/14/52/67/822145267.db2.gz DZLFZMIKNNRFDH-INIZCTEOSA-N 1 2 376.382 4.431 20 0 GIADLO Cc1ccnn1-c1ccccc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000182214480 822151181 /nfs/dbraw/zinc/15/11/81/822151181.db2.gz SGTVDHVFBPAYKY-UHFFFAOYSA-N 1 2 391.500 4.009 20 0 GIADLO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000182393756 822227558 /nfs/dbraw/zinc/22/75/58/822227558.db2.gz ZPGSORVCWNBXFM-LJQANCHMSA-N 1 2 388.389 4.120 20 0 GIADLO O=c1[nH]c2ccccc2cc1C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000182393756 822227562 /nfs/dbraw/zinc/22/75/62/822227562.db2.gz ZPGSORVCWNBXFM-LJQANCHMSA-N 1 2 388.389 4.120 20 0 GIADLO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000182505099 822271937 /nfs/dbraw/zinc/27/19/37/822271937.db2.gz SZMRTCOSUMNSQD-QFBILLFUSA-N 1 2 388.920 4.224 20 0 GIADLO CC[C@H]([NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1)c1c(C)noc1C ZINC000182504002 822272024 /nfs/dbraw/zinc/27/20/24/822272024.db2.gz JIYDPNFVJPNPRK-KRWDZBQOSA-N 1 2 384.505 4.170 20 0 GIADLO CC1CCN(c2ccc(NC(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc2)CC1 ZINC000178011923 822281878 /nfs/dbraw/zinc/28/18/78/822281878.db2.gz AYKSYOMVXHACDJ-IBGZPJMESA-N 1 2 395.551 4.143 20 0 GIADLO C[C@@H]1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000182556594 822300750 /nfs/dbraw/zinc/30/07/50/822300750.db2.gz GJLAPGSKTRCYCX-YGRLFVJLSA-N 1 2 399.239 4.039 20 0 GIADLO COC(=O)c1occc1C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182565682 822305341 /nfs/dbraw/zinc/30/53/41/822305341.db2.gz OSQWIJRZDMIJSP-HNNXBMFYSA-N 1 2 378.428 4.169 20 0 GIADLO Cc1nc(CSc2ccccc2C(=O)NCc2ccn3cc[nH+]c3c2)cs1 ZINC000178068175 822307694 /nfs/dbraw/zinc/30/76/94/822307694.db2.gz QACNJLVRJYZQSW-UHFFFAOYSA-N 1 2 394.525 4.322 20 0 GIADLO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000178074667 822310003 /nfs/dbraw/zinc/31/00/03/822310003.db2.gz JXOPVHYXNGYPRF-SFHVURJKSA-N 1 2 385.899 4.201 20 0 GIADLO O=C(Nc1ccccc1)c1nnc(C[NH2+][C@@H](c2ccccc2)C2CCC2)s1 ZINC000182597026 822317276 /nfs/dbraw/zinc/31/72/76/822317276.db2.gz WEJRMKIRHHWMFW-IBGZPJMESA-N 1 2 378.501 4.421 20 0 GIADLO Cc1cc(N2CCOCC2)ccc1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000182610337 822321733 /nfs/dbraw/zinc/32/17/33/822321733.db2.gz OGXCIBPJOFEIAO-UHFFFAOYSA-N 1 2 391.515 4.076 20 0 GIADLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000178207193 822352685 /nfs/dbraw/zinc/35/26/85/822352685.db2.gz BKTXMDMIRSFRHY-UHFFFAOYSA-N 1 2 398.772 4.251 20 0 GIADLO C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000045026778 822357988 /nfs/dbraw/zinc/35/79/88/822357988.db2.gz ZSUQLXBAONRVPX-OAHLLOKOSA-N 1 2 398.470 4.337 20 0 GIADLO Cc1nc(-c2ccc(CCNC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)cs1 ZINC000045054621 822360062 /nfs/dbraw/zinc/36/00/62/822360062.db2.gz UAEYVSPLNPCTJF-UHFFFAOYSA-N 1 2 388.496 4.277 20 0 GIADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H](c1ccco1)c1ccccc1 ZINC000045154919 822367034 /nfs/dbraw/zinc/36/70/34/822367034.db2.gz NRTQSZAWOGXQCY-QFIPXVFZSA-N 1 2 386.455 4.113 20 0 GIADLO O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178344701 822369393 /nfs/dbraw/zinc/36/93/93/822369393.db2.gz JHVBTFKGCXKVAH-YUMYIRISSA-N 1 2 390.462 4.106 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccccc2F)cc1 ZINC000045294217 822376660 /nfs/dbraw/zinc/37/66/60/822376660.db2.gz BYGNZWRFSVPZMO-UHFFFAOYSA-N 1 2 381.451 4.154 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Cc2ccsc2)cc1 ZINC000045294241 822376763 /nfs/dbraw/zinc/37/67/63/822376763.db2.gz LGZPDOFEYMHNEF-UHFFFAOYSA-N 1 2 383.517 4.005 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(c3ccccc3)CC2)C[C@H](C)O1 ZINC000045377119 822382242 /nfs/dbraw/zinc/38/22/42/822382242.db2.gz WSONEODCTXECGP-OALUTQOASA-N 1 2 393.531 4.149 20 0 GIADLO Cc1cc(Br)c(CNc2ccccc2C[NH+]2CCOCC2)s1 ZINC000453570212 822385896 /nfs/dbraw/zinc/38/58/96/822385896.db2.gz DDRWMFGISKTFQL-UHFFFAOYSA-N 1 2 381.339 4.263 20 0 GIADLO CC(=O)N(c1nc(C[NH2+]CCOCC2CCCC2)cs1)c1ccc(C)cc1 ZINC000453585971 822389029 /nfs/dbraw/zinc/38/90/29/822389029.db2.gz PHUVWJONNAMWIR-UHFFFAOYSA-N 1 2 387.549 4.433 20 0 GIADLO COc1ccc([C@H](C)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cn1cccn1 ZINC000182909997 822390964 /nfs/dbraw/zinc/39/09/64/822390964.db2.gz FOOHBRNLECZTRD-INIZCTEOSA-N 1 2 391.450 4.438 20 0 GIADLO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1OC ZINC000453614942 822393309 /nfs/dbraw/zinc/39/33/09/822393309.db2.gz QHSNQPGUOAVPHN-INIZCTEOSA-N 1 2 377.282 4.198 20 0 GIADLO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)cc1OC ZINC000453614942 822393314 /nfs/dbraw/zinc/39/33/14/822393314.db2.gz QHSNQPGUOAVPHN-INIZCTEOSA-N 1 2 377.282 4.198 20 0 GIADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000045531402 822394020 /nfs/dbraw/zinc/39/40/20/822394020.db2.gz YTMDDELXRWFWRD-OAQYLSRUSA-N 1 2 392.478 4.160 20 0 GIADLO CCN(Cc1cccc(Cl)c1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532249 822394147 /nfs/dbraw/zinc/39/41/47/822394147.db2.gz AXHZPYJBFGNPGJ-UHFFFAOYSA-N 1 2 396.922 4.359 20 0 GIADLO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc(OC)c1 ZINC000453620487 822394303 /nfs/dbraw/zinc/39/43/03/822394303.db2.gz XYYFASRRFBALJW-GOSISDBHSA-N 1 2 377.282 4.198 20 0 GIADLO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)cc(OC)c1 ZINC000453620487 822394307 /nfs/dbraw/zinc/39/43/07/822394307.db2.gz XYYFASRRFBALJW-GOSISDBHSA-N 1 2 377.282 4.198 20 0 GIADLO C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000045771476 822411988 /nfs/dbraw/zinc/41/19/88/822411988.db2.gz QFSCVQHCIYDUHZ-UHFFFAOYSA-N 1 2 379.435 4.005 20 0 GIADLO C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000045771476 822411991 /nfs/dbraw/zinc/41/19/91/822411991.db2.gz QFSCVQHCIYDUHZ-UHFFFAOYSA-N 1 2 379.435 4.005 20 0 GIADLO O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045789017 822414044 /nfs/dbraw/zinc/41/40/44/822414044.db2.gz MLZLFAGSOUTCJF-UHFFFAOYSA-N 1 2 397.482 4.384 20 0 GIADLO CC(C)=CCC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000453853710 822416634 /nfs/dbraw/zinc/41/66/34/822416634.db2.gz UDPSSJZSHXNUDK-KRWDZBQOSA-N 1 2 394.519 4.076 20 0 GIADLO OCC1CCN(c2ccc(NCc3ccc(-c4ccc(F)cc4)o3)[nH+]c2)CC1 ZINC000178867490 822417752 /nfs/dbraw/zinc/41/77/52/822417752.db2.gz QRSGONADXAGDDI-UHFFFAOYSA-N 1 2 381.451 4.302 20 0 GIADLO CCOc1cccc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000045883442 822421534 /nfs/dbraw/zinc/42/15/34/822421534.db2.gz MIEUPSHQWPCYGW-HDICACEKSA-N 1 2 397.519 4.016 20 0 GIADLO CCOc1cccc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000045883442 822421539 /nfs/dbraw/zinc/42/15/39/822421539.db2.gz MIEUPSHQWPCYGW-HDICACEKSA-N 1 2 397.519 4.016 20 0 GIADLO COCc1nc(C)c(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)s1 ZINC000178952636 822424457 /nfs/dbraw/zinc/42/44/57/822424457.db2.gz GTWRHFACFOCTMI-UHFFFAOYSA-N 1 2 382.489 4.050 20 0 GIADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]Cc1cccc(N(C)C)n1 ZINC000179032315 822431662 /nfs/dbraw/zinc/43/16/62/822431662.db2.gz QIGJYYFZANEURK-UHFFFAOYSA-N 1 2 383.927 4.202 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NCc2ccsc2)cc1 ZINC000046038443 822437594 /nfs/dbraw/zinc/43/75/94/822437594.db2.gz GPESVLXIVYYWOB-UHFFFAOYSA-N 1 2 398.532 4.145 20 0 GIADLO CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000046064479 822438787 /nfs/dbraw/zinc/43/87/87/822438787.db2.gz KOSQONKUUVRJPU-GOSISDBHSA-N 1 2 392.503 4.279 20 0 GIADLO CCCCn1c(SCc2nnc(C(C)(C)C)o2)nnc1[C@@H](CC)[NH+](C)C ZINC000046084289 822440314 /nfs/dbraw/zinc/44/03/14/822440314.db2.gz UWTFUNMBSQIONA-CYBMUJFWSA-N 1 2 380.562 4.064 20 0 GIADLO CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000046105757 822441463 /nfs/dbraw/zinc/44/14/63/822441463.db2.gz GWADUGHMDTUUCH-UHFFFAOYSA-N 1 2 392.459 4.149 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000179174830 822447271 /nfs/dbraw/zinc/44/72/71/822447271.db2.gz PVWOSMVNWPAZQH-YWZLYKJASA-N 1 2 380.879 4.322 20 0 GIADLO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ncc(Br)s1 ZINC000179212455 822451778 /nfs/dbraw/zinc/45/17/78/822451778.db2.gz NNJRBEIDSRUGRC-JTQLQIEISA-N 1 2 381.274 4.081 20 0 GIADLO Cc1csc([C@H](C)NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000179217021 822452859 /nfs/dbraw/zinc/45/28/59/822452859.db2.gz LYAXRIUZQPWTEQ-KNXALSJPSA-N 1 2 396.919 4.050 20 0 GIADLO Cc1csc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000179217021 822452861 /nfs/dbraw/zinc/45/28/61/822452861.db2.gz LYAXRIUZQPWTEQ-KNXALSJPSA-N 1 2 396.919 4.050 20 0 GIADLO O=C1CCCN1Cc1ccccc1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183343932 822461788 /nfs/dbraw/zinc/46/17/88/822461788.db2.gz OSDMIMVAAWDNNR-DEOSSOPVSA-N 1 2 389.474 4.222 20 0 GIADLO Cc1cccc(CSCC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000046340951 822462917 /nfs/dbraw/zinc/46/29/17/822462917.db2.gz VWACFSNOZKINED-RTBURBONSA-N 1 2 398.572 4.476 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3ccccc3n2)C[C@@H](C)O1 ZINC000046341584 822463205 /nfs/dbraw/zinc/46/32/05/822463205.db2.gz NGXATQXLNHFAIH-IAGOWNOFSA-N 1 2 375.472 4.096 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(OC(F)F)c2)C[C@@H](C)O1 ZINC000046341965 822463547 /nfs/dbraw/zinc/46/35/47/822463547.db2.gz OYWCKSMZUPAQTP-HUUCEWRRSA-N 1 2 390.430 4.150 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC000046344684 822464040 /nfs/dbraw/zinc/46/40/40/822464040.db2.gz UDDZXUQUNMGHOX-GASCZTMLSA-N 1 2 390.430 4.150 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC000046344684 822464042 /nfs/dbraw/zinc/46/40/42/822464042.db2.gz UDDZXUQUNMGHOX-GASCZTMLSA-N 1 2 390.430 4.150 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)on2)C[C@@H](C)O1 ZINC000046344560 822464078 /nfs/dbraw/zinc/46/40/78/822464078.db2.gz QCDGQBYBIQRINI-IAGOWNOFSA-N 1 2 391.471 4.203 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@H](C)c1cnn(C)c1C)c1ccccc1 ZINC000183402995 822468684 /nfs/dbraw/zinc/46/86/84/822468684.db2.gz GTIXEIHBBBGDFJ-ZHRRBRCNSA-N 1 2 392.503 4.076 20 0 GIADLO CSc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179360954 822471150 /nfs/dbraw/zinc/47/11/50/822471150.db2.gz YZMZUJUSEOMGHX-AEFFLSMTSA-N 1 2 378.900 4.376 20 0 GIADLO CSc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179360954 822471152 /nfs/dbraw/zinc/47/11/52/822471152.db2.gz YZMZUJUSEOMGHX-AEFFLSMTSA-N 1 2 378.900 4.376 20 0 GIADLO COc1ccc(NCc2cccc3[nH+]ccn32)cc1OCc1cn2ccccc2n1 ZINC000179430017 822481503 /nfs/dbraw/zinc/48/15/03/822481503.db2.gz HLDBPUZLDPMIPR-UHFFFAOYSA-N 1 2 399.454 4.182 20 0 GIADLO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3cc(OC)c(OC)cc3F)co2)cc1 ZINC000183485604 822483523 /nfs/dbraw/zinc/48/35/23/822483523.db2.gz ZYWUKAHYGMYXPW-ZDUSSCGKSA-N 1 2 386.423 4.357 20 0 GIADLO Cc1cc(F)ccc1-c1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)o1 ZINC000179455317 822485673 /nfs/dbraw/zinc/48/56/73/822485673.db2.gz HOCNKKBPEZFPSL-UHFFFAOYSA-N 1 2 381.451 4.233 20 0 GIADLO CNC(=O)c1ccc(C[N@H+](Cc2csc(-c3cccs3)n2)C2CC2)cc1 ZINC000046561728 822486246 /nfs/dbraw/zinc/48/62/46/822486246.db2.gz JGUUHPWZODPMDK-UHFFFAOYSA-N 1 2 383.542 4.396 20 0 GIADLO CNC(=O)c1ccc(C[N@@H+](Cc2csc(-c3cccs3)n2)C2CC2)cc1 ZINC000046561728 822486248 /nfs/dbraw/zinc/48/62/48/822486248.db2.gz JGUUHPWZODPMDK-UHFFFAOYSA-N 1 2 383.542 4.396 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CC(C3CCCCC3)C2)C[C@H](C)O1 ZINC000454521414 822490767 /nfs/dbraw/zinc/49/07/67/822490767.db2.gz YNZNJJYQWBKHLL-ROUUACIJSA-N 1 2 385.552 4.340 20 0 GIADLO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(F)cc1Br ZINC000179522197 822496280 /nfs/dbraw/zinc/49/62/80/822496280.db2.gz YNEKGWFXRMGGJK-SNVBAGLBSA-N 1 2 389.215 4.478 20 0 GIADLO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000179581569 822506840 /nfs/dbraw/zinc/50/68/40/822506840.db2.gz PHSZYJFLPONGBH-UHFFFAOYSA-N 1 2 391.924 4.230 20 0 GIADLO OC[C@@H]([NH2+]Cc1csc(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC000183662425 822507412 /nfs/dbraw/zinc/50/74/12/822507412.db2.gz QOWQNQBHRIKMED-QGZVFWFLSA-N 1 2 389.318 4.396 20 0 GIADLO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1cc(Cl)ccc1F ZINC000046720987 822509790 /nfs/dbraw/zinc/50/97/90/822509790.db2.gz RFYZPKAQEPCYDM-ZDUSSCGKSA-N 1 2 387.842 4.438 20 0 GIADLO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1cc(Cl)ccc1F ZINC000046720987 822509793 /nfs/dbraw/zinc/50/97/93/822509793.db2.gz RFYZPKAQEPCYDM-ZDUSSCGKSA-N 1 2 387.842 4.438 20 0 GIADLO CC[N@H+](Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179599171 822509996 /nfs/dbraw/zinc/50/99/96/822509996.db2.gz HBPHQCXMMKEDKY-ZDUSSCGKSA-N 1 2 388.316 4.262 20 0 GIADLO CC[N@@H+](Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000179599171 822509999 /nfs/dbraw/zinc/50/99/99/822509999.db2.gz HBPHQCXMMKEDKY-ZDUSSCGKSA-N 1 2 388.316 4.262 20 0 GIADLO Cc1cc(C)c(CNC(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)c[nH+]1 ZINC000454698331 822519114 /nfs/dbraw/zinc/51/91/14/822519114.db2.gz NSEHGSFFOFWOGP-UHFFFAOYSA-N 1 2 375.856 4.239 20 0 GIADLO CC(C)n1cc(C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cn1 ZINC000179650724 822519833 /nfs/dbraw/zinc/51/98/33/822519833.db2.gz DKLMWCJNBREVMT-UHFFFAOYSA-N 1 2 382.430 4.332 20 0 GIADLO CC(C)n1cc(C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cn1 ZINC000179650724 822519836 /nfs/dbraw/zinc/51/98/36/822519836.db2.gz DKLMWCJNBREVMT-UHFFFAOYSA-N 1 2 382.430 4.332 20 0 GIADLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000179661953 822522536 /nfs/dbraw/zinc/52/25/36/822522536.db2.gz IFNZYYFCUKJSIY-LBPRGKRZSA-N 1 2 388.443 4.115 20 0 GIADLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000179661953 822522539 /nfs/dbraw/zinc/52/25/39/822522539.db2.gz IFNZYYFCUKJSIY-LBPRGKRZSA-N 1 2 388.443 4.115 20 0 GIADLO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000179664013 822522783 /nfs/dbraw/zinc/52/27/83/822522783.db2.gz JMSWWOHSQKLDNJ-HZPDHXFCSA-N 1 2 392.507 4.396 20 0 GIADLO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000179663985 822522806 /nfs/dbraw/zinc/52/28/06/822522806.db2.gz JMSWWOHSQKLDNJ-CVEARBPZSA-N 1 2 392.507 4.396 20 0 GIADLO CCC[N@@H+](Cc1cnn2ccccc12)Cc1nnc(-c2ccccc2Cl)o1 ZINC000179673148 822524242 /nfs/dbraw/zinc/52/42/42/822524242.db2.gz GUGGUCPQNDDYJL-UHFFFAOYSA-N 1 2 381.867 4.450 20 0 GIADLO CCC[N@H+](Cc1cnn2ccccc12)Cc1nnc(-c2ccccc2Cl)o1 ZINC000179673148 822524245 /nfs/dbraw/zinc/52/42/45/822524245.db2.gz GUGGUCPQNDDYJL-UHFFFAOYSA-N 1 2 381.867 4.450 20 0 GIADLO COc1ccc(Cl)c(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000183764253 822524739 /nfs/dbraw/zinc/52/47/39/822524739.db2.gz HLJMFUICLKMHOR-CYBMUJFWSA-N 1 2 379.913 4.321 20 0 GIADLO C[C@@H](c1cccc(NC(=O)N2CCCc3ccccc3CC2)c1)[NH+]1CCOCC1 ZINC000454737491 822525540 /nfs/dbraw/zinc/52/55/40/822525540.db2.gz KHVDPJCCKPIOIQ-IBGZPJMESA-N 1 2 393.531 4.103 20 0 GIADLO Cc1ccccc1CCN(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000454744595 822526885 /nfs/dbraw/zinc/52/68/85/822526885.db2.gz QIUPUSVIFABAFE-LJQANCHMSA-N 1 2 381.520 4.095 20 0 GIADLO O=C(NCC[C@H]1CCc2ccccc21)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000454763244 822529783 /nfs/dbraw/zinc/52/97/83/822529783.db2.gz QFAHLGVLGWCOIP-LJQANCHMSA-N 1 2 390.487 4.204 20 0 GIADLO CC(C)n1ccnc1C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183824169 822532573 /nfs/dbraw/zinc/53/25/73/822532573.db2.gz IPLHKLFHTVUKEQ-UHFFFAOYSA-N 1 2 378.314 4.270 20 0 GIADLO CC[C@H]([NH2+]Cc1nc2oc(C)c(C)c2c(N)n1)c1ccccc1OC(F)F ZINC000179713655 822533176 /nfs/dbraw/zinc/53/31/76/822533176.db2.gz VGPBUJDLKRVTJC-ZDUSSCGKSA-N 1 2 376.407 4.264 20 0 GIADLO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000179723098 822535386 /nfs/dbraw/zinc/53/53/86/822535386.db2.gz DFRCBYQFWUZCDI-QGZVFWFLSA-N 1 2 394.233 4.380 20 0 GIADLO Cc1cnc(CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)s1 ZINC000179725508 822535760 /nfs/dbraw/zinc/53/57/60/822535760.db2.gz LKXWQIRAZURABT-GFCCVEGCSA-N 1 2 377.514 4.086 20 0 GIADLO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000179739914 822539888 /nfs/dbraw/zinc/53/98/88/822539888.db2.gz OJPYJECEWPSDDT-SJLPKXTDSA-N 1 2 391.309 4.115 20 0 GIADLO Fc1ccc(COC2CC[NH+](Cc3ccc(Br)cn3)CC2)cc1 ZINC000179740771 822540284 /nfs/dbraw/zinc/54/02/84/822540284.db2.gz KQOLYXFAEHOVDN-UHFFFAOYSA-N 1 2 379.273 4.164 20 0 GIADLO Cc1nc(N2CCN(C(=O)Nc3ccc(SC4CCCC4)cc3)CC2)cc[nH+]1 ZINC000183913214 822545113 /nfs/dbraw/zinc/54/51/13/822545113.db2.gz RRCJOCIAFCEYNH-UHFFFAOYSA-N 1 2 397.548 4.174 20 0 GIADLO Cc1ccccc1C([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccccc1C ZINC000183928406 822548798 /nfs/dbraw/zinc/54/87/98/822548798.db2.gz PQXHZOXUYVWJFS-UHFFFAOYSA-N 1 2 383.495 4.430 20 0 GIADLO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047248066 822558441 /nfs/dbraw/zinc/55/84/41/822558441.db2.gz SDMQFVZWSACUHY-UHFFFAOYSA-N 1 2 375.428 4.225 20 0 GIADLO Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183990483 822559153 /nfs/dbraw/zinc/55/91/53/822559153.db2.gz FUKBBBNEQAPVLX-UHFFFAOYSA-N 1 2 399.564 4.338 20 0 GIADLO O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000179853724 822566590 /nfs/dbraw/zinc/56/65/90/822566590.db2.gz NINRCNJINGFRMU-KRWDZBQOSA-N 1 2 388.393 4.243 20 0 GIADLO O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000179853724 822566594 /nfs/dbraw/zinc/56/65/94/822566594.db2.gz NINRCNJINGFRMU-KRWDZBQOSA-N 1 2 388.393 4.243 20 0 GIADLO CCCCn1ncc(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1C ZINC000455002157 822568517 /nfs/dbraw/zinc/56/85/17/822568517.db2.gz PMHBBUOYSYIJGF-UHFFFAOYSA-N 1 2 386.887 4.152 20 0 GIADLO CC(C)c1cnc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000184059293 822572553 /nfs/dbraw/zinc/57/25/53/822572553.db2.gz PBQSHMNKETVULO-LPHOPBHVSA-N 1 2 379.957 4.081 20 0 GIADLO CC(C)c1cnc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000184059293 822572554 /nfs/dbraw/zinc/57/25/54/822572554.db2.gz PBQSHMNKETVULO-LPHOPBHVSA-N 1 2 379.957 4.081 20 0 GIADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000047394436 822574323 /nfs/dbraw/zinc/57/43/23/822574323.db2.gz GREOMYNXNLYBOR-IBGZPJMESA-N 1 2 392.507 4.183 20 0 GIADLO CN(C)c1ccc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c(C(F)(F)F)c1 ZINC000047417032 822577443 /nfs/dbraw/zinc/57/74/43/822577443.db2.gz JYPKTRVJAMDUOD-CQSZACIVSA-N 1 2 392.425 4.022 20 0 GIADLO COc1ccc(C[N@H+](Cc2noc(-c3ccccc3C)n2)[C@H](CO)C(C)C)cc1 ZINC000179921138 822577560 /nfs/dbraw/zinc/57/75/60/822577560.db2.gz YIPYRSPQAHPIGX-OAQYLSRUSA-N 1 2 395.503 4.073 20 0 GIADLO COc1ccc(C[N@@H+](Cc2noc(-c3ccccc3C)n2)[C@H](CO)C(C)C)cc1 ZINC000179921138 822577562 /nfs/dbraw/zinc/57/75/62/822577562.db2.gz YIPYRSPQAHPIGX-OAQYLSRUSA-N 1 2 395.503 4.073 20 0 GIADLO Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)s1 ZINC000047432235 822578749 /nfs/dbraw/zinc/57/87/49/822578749.db2.gz SCSCGHAEVILFRR-UHFFFAOYSA-N 1 2 383.473 4.192 20 0 GIADLO O=C(Nc1cccc(Oc2ccccn2)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184120255 822581413 /nfs/dbraw/zinc/58/14/13/822581413.db2.gz LFHVWRYZMRUZIN-UHFFFAOYSA-N 1 2 389.459 4.013 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2Cl)n1 ZINC000184167614 822589523 /nfs/dbraw/zinc/58/95/23/822589523.db2.gz NTODYUSWRJYGGR-VIFPVBQESA-N 1 2 388.718 4.157 20 0 GIADLO O=S(=O)(/C=C/c1cccc(Cl)c1)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000184171830 822590318 /nfs/dbraw/zinc/59/03/18/822590318.db2.gz LFYHGKSZJUBZKI-UFUQCMIWSA-N 1 2 399.903 4.141 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC000047569481 822591884 /nfs/dbraw/zinc/59/18/84/822591884.db2.gz WCGMBXXONLZRBU-IAGOWNOFSA-N 1 2 385.483 4.099 20 0 GIADLO COc1cccc([C@@H](C)[NH+]2CCN(Cc3nnc(-c4ccccc4)s3)CC2)c1 ZINC000184200450 822595058 /nfs/dbraw/zinc/59/50/58/822595058.db2.gz OFBOFXPJKHKYJN-QGZVFWFLSA-N 1 2 394.544 4.093 20 0 GIADLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)n1 ZINC000184228392 822599678 /nfs/dbraw/zinc/59/96/78/822599678.db2.gz YAPKCVYSELFQHP-ACJLOTCBSA-N 1 2 389.521 4.209 20 0 GIADLO Cn1cc([C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)c2cccc(F)c2)cn1 ZINC000180027095 822599858 /nfs/dbraw/zinc/59/98/58/822599858.db2.gz MFKZDZJFEARJMT-SFHVURJKSA-N 1 2 379.357 4.337 20 0 GIADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 ZINC000184258303 822604484 /nfs/dbraw/zinc/60/44/84/822604484.db2.gz KUODDLJQLGLOBV-AWEZNQCLSA-N 1 2 387.505 4.172 20 0 GIADLO Cc1csc([C@H](C)[NH2+]Cc2cc3c(cc2Br)OCCCO3)n1 ZINC000184266358 822605679 /nfs/dbraw/zinc/60/56/79/822605679.db2.gz CFZZFVICQAUWHK-NSHDSACASA-N 1 2 383.311 4.226 20 0 GIADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000047752442 822606120 /nfs/dbraw/zinc/60/61/20/822606120.db2.gz LCCPWHWIXZQFKC-ZDUSSCGKSA-N 1 2 381.339 4.162 20 0 GIADLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000047752442 822606122 /nfs/dbraw/zinc/60/61/22/822606122.db2.gz LCCPWHWIXZQFKC-ZDUSSCGKSA-N 1 2 381.339 4.162 20 0 GIADLO CCCOc1ccc(Cl)cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047760107 822606865 /nfs/dbraw/zinc/60/68/65/822606865.db2.gz QGQYGOJWVNPWDC-UHFFFAOYSA-N 1 2 388.899 4.314 20 0 GIADLO Cc1cc(C)n(-c2ccc(NC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cc2F)n1 ZINC000047860497 822614433 /nfs/dbraw/zinc/61/44/33/822614433.db2.gz PPTOPSDHQRWIME-IBGZPJMESA-N 1 2 398.486 4.061 20 0 GIADLO CC[C@@H](C)n1ncc(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1C ZINC000455248094 822617151 /nfs/dbraw/zinc/61/71/51/822617151.db2.gz AKMOESGYGCHXND-CYBMUJFWSA-N 1 2 386.887 4.323 20 0 GIADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000047931488 822620527 /nfs/dbraw/zinc/62/05/27/822620527.db2.gz OBUIIOIYFISRQO-AWEZNQCLSA-N 1 2 378.457 4.085 20 0 GIADLO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@H](C)Cn3cc[nH+]c3)cc12 ZINC000047931525 822620645 /nfs/dbraw/zinc/62/06/45/822620645.db2.gz CTZDCLYWRDEEIJ-GFCCVEGCSA-N 1 2 399.907 4.064 20 0 GIADLO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000184365367 822622928 /nfs/dbraw/zinc/62/29/28/822622928.db2.gz SQYMSTRAOQLYGL-INIZCTEOSA-N 1 2 399.922 4.251 20 0 GIADLO C[C@H]([NH2+]CC(=O)N(CCc1ccccc1)Cc1ccccc1)c1nccs1 ZINC000184428939 822633341 /nfs/dbraw/zinc/63/33/41/822633341.db2.gz BUZVOKXJHNFWKZ-SFHVURJKSA-N 1 2 379.529 4.065 20 0 GIADLO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)c1cnccn1 ZINC000184435842 822634626 /nfs/dbraw/zinc/63/46/26/822634626.db2.gz BJMSNPQNUTVQQT-KBPBESRZSA-N 1 2 380.414 4.296 20 0 GIADLO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)c1cnccn1 ZINC000184435842 822634627 /nfs/dbraw/zinc/63/46/27/822634627.db2.gz BJMSNPQNUTVQQT-KBPBESRZSA-N 1 2 380.414 4.296 20 0 GIADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000184482559 822643487 /nfs/dbraw/zinc/64/34/87/822643487.db2.gz SCLMHVFUWYFKRV-AWEZNQCLSA-N 1 2 378.419 4.174 20 0 GIADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000184482559 822643491 /nfs/dbraw/zinc/64/34/91/822643491.db2.gz SCLMHVFUWYFKRV-AWEZNQCLSA-N 1 2 378.419 4.174 20 0 GIADLO C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1nc(C(C)(C)C)cs1 ZINC000184501416 822646330 /nfs/dbraw/zinc/64/63/30/822646330.db2.gz BEVZFGWHOIAVRH-CYBMUJFWSA-N 1 2 375.542 4.042 20 0 GIADLO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1nc(-c2ccccc2)cs1 ZINC000184526041 822651055 /nfs/dbraw/zinc/65/10/55/822651055.db2.gz NDMRDPZKRMOMNI-ZDUSSCGKSA-N 1 2 396.903 4.322 20 0 GIADLO Cc1cccc(C2=CCN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)c1 ZINC000180287956 822656002 /nfs/dbraw/zinc/65/60/02/822656002.db2.gz DXQAJFMWUMVIDY-UHFFFAOYSA-N 1 2 386.499 4.239 20 0 GIADLO Cc1cc(C)c(NC(=O)N(C)CCOc2ccc(Br)cc2)c(C)[nH+]1 ZINC000455461242 822658867 /nfs/dbraw/zinc/65/88/67/822658867.db2.gz BJLUVLICKVZDLS-UHFFFAOYSA-N 1 2 392.297 4.312 20 0 GIADLO OCC1CCN(c2[nH+]cccc2NCc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000180301107 822659765 /nfs/dbraw/zinc/65/97/65/822659765.db2.gz VZALPRRRKQECCQ-UHFFFAOYSA-N 1 2 381.451 4.302 20 0 GIADLO Cn1cc([C@H]([NH2+]Cc2csc(Br)c2)c2ccc(F)cc2)cn1 ZINC000184579375 822660707 /nfs/dbraw/zinc/66/07/07/822660707.db2.gz ZLKGVQPJEJRXGI-MRXNPFEDSA-N 1 2 380.286 4.262 20 0 GIADLO CCCc1c(NC(=O)Nc2c(C)cc(C)[nH+]c2C)cnn1-c1cc(C)ccn1 ZINC000455469496 822660771 /nfs/dbraw/zinc/66/07/71/822660771.db2.gz ABUXQENDYXKIEL-UHFFFAOYSA-N 1 2 378.480 4.492 20 0 GIADLO CC(C)c1cccc(NC(=O)C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000184589331 822662305 /nfs/dbraw/zinc/66/23/05/822662305.db2.gz UVZZHBABYKLEST-JOCHJYFZSA-N 1 2 380.467 4.000 20 0 GIADLO Cc1cc(C)c(NC(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c(C)[nH+]1 ZINC000455478959 822662404 /nfs/dbraw/zinc/66/24/04/822662404.db2.gz NIVAHXHAPKFLJI-UHFFFAOYSA-N 1 2 385.855 4.074 20 0 GIADLO COC[C@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccco1 ZINC000184592147 822662706 /nfs/dbraw/zinc/66/27/06/822662706.db2.gz FRRQCZAMSXABPH-LBPRGKRZSA-N 1 2 377.655 4.156 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c(C)[nH+]1 ZINC000455480578 822662770 /nfs/dbraw/zinc/66/27/70/822662770.db2.gz OGFCFTSKEZAKJJ-CQSZACIVSA-N 1 2 381.480 4.173 20 0 GIADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccco1 ZINC000184592888 822662888 /nfs/dbraw/zinc/66/28/88/822662888.db2.gz FIOUPDWEAVXFGP-UWJYYQICSA-N 1 2 394.471 4.163 20 0 GIADLO COc1ccc(CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)[C@H](CO)C(C)C)cc1 ZINC000455494667 822665577 /nfs/dbraw/zinc/66/55/77/822665577.db2.gz NLFCPLANSBRQOV-HXUWFJFHSA-N 1 2 385.508 4.066 20 0 GIADLO Cc1cc(C)c(NC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c(C)[nH+]1 ZINC000455498653 822666349 /nfs/dbraw/zinc/66/63/49/822666349.db2.gz RSYRBQFGQDORMX-OAHLLOKOSA-N 1 2 390.434 4.009 20 0 GIADLO Cc1cc(C)c(NC(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)c(C)[nH+]1 ZINC000455519804 822669933 /nfs/dbraw/zinc/66/99/33/822669933.db2.gz MFFFNYOXMGZNKI-UHFFFAOYSA-N 1 2 382.483 4.205 20 0 GIADLO COC[C@@H]([NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(C)o1 ZINC000184643185 822670173 /nfs/dbraw/zinc/67/01/73/822670173.db2.gz JQIHNLYDMJTVRW-OAQYLSRUSA-N 1 2 394.471 4.083 20 0 GIADLO Cc1cc(C)c(NC(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)c(C)[nH+]1 ZINC000455528695 822670827 /nfs/dbraw/zinc/67/08/27/822670827.db2.gz RBUJDORGMUHJHZ-WMLDXEAASA-N 1 2 393.409 4.365 20 0 GIADLO COc1c(C)c[nH+]c(CSCc2csc(-c3ccc(C(N)=O)cc3)n2)c1C ZINC000180375943 822672072 /nfs/dbraw/zinc/67/20/72/822672072.db2.gz BYXYHSIXLIPGPM-UHFFFAOYSA-N 1 2 399.541 4.363 20 0 GIADLO Cc1cc(C)c(CNC(=O)N(C)Cc2ccc(Br)cc2Cl)c[nH+]1 ZINC000455581090 822678031 /nfs/dbraw/zinc/67/80/31/822678031.db2.gz XGRSMFSBIUQPSS-UHFFFAOYSA-N 1 2 396.716 4.456 20 0 GIADLO COc1cccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)c1OC ZINC000048751959 822681271 /nfs/dbraw/zinc/68/12/71/822681271.db2.gz DMQVRLRADBUQOP-UHFFFAOYSA-N 1 2 385.895 4.200 20 0 GIADLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000180436230 822681502 /nfs/dbraw/zinc/68/15/02/822681502.db2.gz RKYISRJRWCQPST-LBPRGKRZSA-N 1 2 395.272 4.195 20 0 GIADLO FC(F)(F)c1cc(Br)cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000180457164 822685660 /nfs/dbraw/zinc/68/56/60/822685660.db2.gz INMRVIZUGAGIRX-UONOGXRCSA-N 1 2 396.272 4.174 20 0 GIADLO FC(F)(F)c1cc(Br)cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000180457164 822685661 /nfs/dbraw/zinc/68/56/61/822685661.db2.gz INMRVIZUGAGIRX-UONOGXRCSA-N 1 2 396.272 4.174 20 0 GIADLO COC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21)c1ccc(C)o1 ZINC000184769223 822688478 /nfs/dbraw/zinc/68/84/78/822688478.db2.gz PORWAQSKBVRYJK-FVJLSDCUSA-N 1 2 380.488 4.284 20 0 GIADLO CC(C)Oc1ccccc1[C@@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048965884 822689704 /nfs/dbraw/zinc/68/97/04/822689704.db2.gz BAHXMMCKKDLFEV-GOSISDBHSA-N 1 2 392.503 4.279 20 0 GIADLO O=C(NCCc1cccc2ccccc21)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048965922 822689810 /nfs/dbraw/zinc/68/98/10/822689810.db2.gz GUVHANJPKWSMJQ-UHFFFAOYSA-N 1 2 384.483 4.127 20 0 GIADLO CC(C)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000048966554 822689974 /nfs/dbraw/zinc/68/99/74/822689974.db2.gz RSCROPDVBQIYDV-QFIPXVFZSA-N 1 2 376.504 4.170 20 0 GIADLO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3nc([C@H](C)OC)no3)s2)cc1 ZINC000184787678 822690902 /nfs/dbraw/zinc/69/09/02/822690902.db2.gz NOGSGNDPGVQTKJ-AAEUAGOBSA-N 1 2 388.493 4.068 20 0 GIADLO O=C(Nc1ccc([C@@H]2CCOC2)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455663612 822694471 /nfs/dbraw/zinc/69/44/71/822694471.db2.gz LUJFYSLYEJGWCP-HXUWFJFHSA-N 1 2 382.508 4.111 20 0 GIADLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000455664262 822694739 /nfs/dbraw/zinc/69/47/39/822694739.db2.gz UMMXBQIUVHDXSB-DYESRHJHSA-N 1 2 394.906 4.132 20 0 GIADLO C[C@@H]([NH2+][C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ncc(-c2ccccc2)o1 ZINC000184844734 822699206 /nfs/dbraw/zinc/69/92/06/822699206.db2.gz NXXFOWMIQBWHTP-FRBILKQBSA-N 1 2 393.531 4.466 20 0 GIADLO Cc1c(Cl)cncc1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000455688049 822701808 /nfs/dbraw/zinc/70/18/08/822701808.db2.gz AURGRFGTJJRXGM-KBPBESRZSA-N 1 2 396.919 4.181 20 0 GIADLO Cc1c(Cl)cncc1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000455688049 822701809 /nfs/dbraw/zinc/70/18/09/822701809.db2.gz AURGRFGTJJRXGM-KBPBESRZSA-N 1 2 396.919 4.181 20 0 GIADLO Cc1cn(-c2ccccc2)nc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000184861206 822702106 /nfs/dbraw/zinc/70/21/06/822702106.db2.gz PUNZZFHRZYXIEH-OAHLLOKOSA-N 1 2 395.532 4.121 20 0 GIADLO Cc1cn(-c2ccccc2)nc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000184861206 822702111 /nfs/dbraw/zinc/70/21/11/822702111.db2.gz PUNZZFHRZYXIEH-OAHLLOKOSA-N 1 2 395.532 4.121 20 0 GIADLO Cc1cn(-c2ccccc2)nc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000184861447 822702135 /nfs/dbraw/zinc/70/21/35/822702135.db2.gz HGLWKCVPSDPOQN-UHFFFAOYSA-N 1 2 395.532 4.121 20 0 GIADLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c(OC)c1 ZINC000184870024 822704520 /nfs/dbraw/zinc/70/45/20/822704520.db2.gz CIFSIAFMBYVEME-HUUCEWRRSA-N 1 2 395.459 4.037 20 0 GIADLO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ncc(-c2ccccc2)o1 ZINC000184872737 822704664 /nfs/dbraw/zinc/70/46/64/822704664.db2.gz MSHMPTZTEJZFAE-CABCVRRESA-N 1 2 399.441 4.490 20 0 GIADLO CCCc1noc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000180600711 822709120 /nfs/dbraw/zinc/70/91/20/822709120.db2.gz FVWZGBZPWWOPSD-AWEZNQCLSA-N 1 2 382.439 4.264 20 0 GIADLO CC[C@H]([NH2+]Cc1nc(-c2ccc(F)c(C)c2)no1)c1ccc2c(c1)OCCO2 ZINC000180615369 822713097 /nfs/dbraw/zinc/71/30/97/822713097.db2.gz UQWJNQUMZOLCQN-KRWDZBQOSA-N 1 2 383.423 4.196 20 0 GIADLO Cc1ccc(F)c(Br)c1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000455744326 822718465 /nfs/dbraw/zinc/71/84/65/822718465.db2.gz FJPRWKWUPVJYDE-LLVKDONJSA-N 1 2 381.249 4.031 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)c1nccs1 ZINC000185039956 822728018 /nfs/dbraw/zinc/72/80/18/822728018.db2.gz FOEXWZUTEWQTGH-WOJBJXKFSA-N 1 2 379.529 4.284 20 0 GIADLO COCC1=CC[N@H+](Cn2cc(-c3ccccc3)n(CC(F)(F)F)c2=S)CC1 ZINC000185041987 822728320 /nfs/dbraw/zinc/72/83/20/822728320.db2.gz UUBVJFKKTKAUMW-UHFFFAOYSA-N 1 2 397.466 4.484 20 0 GIADLO COCC1=CC[N@@H+](Cn2cc(-c3ccccc3)n(CC(F)(F)F)c2=S)CC1 ZINC000185041987 822728322 /nfs/dbraw/zinc/72/83/22/822728322.db2.gz UUBVJFKKTKAUMW-UHFFFAOYSA-N 1 2 397.466 4.484 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1nccs1 ZINC000185046212 822728835 /nfs/dbraw/zinc/72/88/35/822728835.db2.gz XZZWTIUBLAUQFG-QGZVFWFLSA-N 1 2 379.485 4.054 20 0 GIADLO CC(C)OC(=O)c1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000185071100 822732655 /nfs/dbraw/zinc/73/26/55/822732655.db2.gz TZABRJPFUOKXIL-CQSZACIVSA-N 1 2 383.423 4.292 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nccs1 ZINC000185078980 822733986 /nfs/dbraw/zinc/73/39/86/822733986.db2.gz SXQOOZMGHOUVPL-LBPRGKRZSA-N 1 2 377.819 4.495 20 0 GIADLO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1)C1CCCCC1 ZINC000185099727 822736980 /nfs/dbraw/zinc/73/69/80/822736980.db2.gz ZAXCGOIFTVUROT-CABCVRRESA-N 1 2 388.487 4.096 20 0 GIADLO CCn1c(=S)n(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)nc1C1CC1 ZINC000050928025 822742736 /nfs/dbraw/zinc/74/27/36/822742736.db2.gz JGBMXESYHMRZFW-RTBURBONSA-N 1 2 386.565 4.369 20 0 GIADLO CCn1c(=S)n(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)nc1C1CC1 ZINC000050928025 822742739 /nfs/dbraw/zinc/74/27/39/822742739.db2.gz JGBMXESYHMRZFW-RTBURBONSA-N 1 2 386.565 4.369 20 0 GIADLO CC(C)c1cccc(O[C@@H](C)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000051035620 822744553 /nfs/dbraw/zinc/74/45/53/822744553.db2.gz VJJRENJYRNYLNM-IBGZPJMESA-N 1 2 391.515 4.181 20 0 GIADLO C[C@@H](Sc1ccccc1Cl)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000051035650 822744773 /nfs/dbraw/zinc/74/47/73/822744773.db2.gz WYEATNCGOFPAJF-MRXNPFEDSA-N 1 2 399.947 4.424 20 0 GIADLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000455938726 822753474 /nfs/dbraw/zinc/75/34/74/822753474.db2.gz ZJFDLOWVILOJMR-UWJYYQICSA-N 1 2 397.881 4.486 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(-c3csc(C)n3)cc2)c1C ZINC000051334519 822756510 /nfs/dbraw/zinc/75/65/10/822756510.db2.gz QIFKCQKNWPTHPO-UHFFFAOYSA-N 1 2 396.516 4.138 20 0 GIADLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c1C ZINC000051334670 822756622 /nfs/dbraw/zinc/75/66/22/822756622.db2.gz MJCDQJBGKIMORV-UHFFFAOYSA-N 1 2 382.291 4.355 20 0 GIADLO C[C@H](c1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1)C(F)(F)F ZINC000455993950 822763258 /nfs/dbraw/zinc/76/32/58/822763258.db2.gz VGJZBIYBNNLAIW-HUUCEWRRSA-N 1 2 379.426 4.181 20 0 GIADLO CC[C@H]1Cc2ccccc2CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185321056 822765587 /nfs/dbraw/zinc/76/55/87/822765587.db2.gz IBONWAODIRKTPV-FQEVSTJZSA-N 1 2 390.487 4.331 20 0 GIADLO C[N@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)Cc1ccco1 ZINC000051563448 822766053 /nfs/dbraw/zinc/76/60/53/822766053.db2.gz NFQFLWLQNGSNBC-NRFANRHFSA-N 1 2 387.483 4.141 20 0 GIADLO C[N@@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)Cc1ccco1 ZINC000051563448 822766055 /nfs/dbraw/zinc/76/60/55/822766055.db2.gz NFQFLWLQNGSNBC-NRFANRHFSA-N 1 2 387.483 4.141 20 0 GIADLO C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(Br)cc(F)c1[O-] ZINC000185325650 822766259 /nfs/dbraw/zinc/76/62/59/822766259.db2.gz GHACVJQXBMHDCY-LBPRGKRZSA-N 1 2 382.277 4.232 20 0 GIADLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185350653 822769606 /nfs/dbraw/zinc/76/96/06/822769606.db2.gz RKPAEBGTRFWBDI-VIFPVBQESA-N 1 2 399.216 4.061 20 0 GIADLO CCOc1ccc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)c(C(F)(F)F)c1 ZINC000051644353 822770618 /nfs/dbraw/zinc/77/06/18/822770618.db2.gz VVMJIWBRWYZXQB-UHFFFAOYSA-N 1 2 397.397 4.446 20 0 GIADLO CC(C)COC[C@H]([NH2+]Cc1cnc2ccc(Br)cn12)c1ccco1 ZINC000174328960 822772001 /nfs/dbraw/zinc/77/20/01/822772001.db2.gz JTKSUMJNSBAJFM-INIZCTEOSA-N 1 2 392.297 4.193 20 0 GIADLO Cc1ccc2[nH+]cc(CNc3ccc(Cc4nnc5n4CCCCC5)cc3)n2c1 ZINC000185385875 822776305 /nfs/dbraw/zinc/77/63/05/822776305.db2.gz AYZOBROUJQDKNC-UHFFFAOYSA-N 1 2 386.503 4.164 20 0 GIADLO COCc1cc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)ccc1F ZINC000185495709 822790717 /nfs/dbraw/zinc/79/07/17/822790717.db2.gz JBISGRBQGGMJNA-SNVBAGLBSA-N 1 2 386.236 4.430 20 0 GIADLO Cn1c[nH+]cc1CCC(=O)NC1(c2ccccc2Br)CCCCC1 ZINC000456286618 822794346 /nfs/dbraw/zinc/79/43/46/822794346.db2.gz KCZCZQMNPQBMTG-UHFFFAOYSA-N 1 2 390.325 4.091 20 0 GIADLO Cc1ccc(SC[C@H](C)NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000185568793 822797517 /nfs/dbraw/zinc/79/75/17/822797517.db2.gz AHKPWYGAJBYZDR-SFHVURJKSA-N 1 2 394.544 4.220 20 0 GIADLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cs1 ZINC000185629795 822804293 /nfs/dbraw/zinc/80/42/93/822804293.db2.gz AZHKGTMUYRZTBL-CABZTGNLSA-N 1 2 376.448 4.077 20 0 GIADLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000052620731 822805597 /nfs/dbraw/zinc/80/55/97/822805597.db2.gz CNHRMTGWYRVXGO-LJQANCHMSA-N 1 2 386.455 4.092 20 0 GIADLO C[C@@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1cccnc1 ZINC000174620190 822813498 /nfs/dbraw/zinc/81/34/98/822813498.db2.gz OHBMFYZKIYFCPK-LJQANCHMSA-N 1 2 396.494 4.413 20 0 GIADLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Cc2ccccc2)cc1O ZINC000174622643 822813805 /nfs/dbraw/zinc/81/38/05/822813805.db2.gz UHIRKSNYILVBHP-UHFFFAOYSA-N 1 2 390.483 4.062 20 0 GIADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cc2ccccc2)cc1O ZINC000174622643 822813808 /nfs/dbraw/zinc/81/38/08/822813808.db2.gz UHIRKSNYILVBHP-UHFFFAOYSA-N 1 2 390.483 4.062 20 0 GIADLO Cc1sc2ncnc(SCC(=O)Nc3ccccc3-n3cc[nH+]c3)c2c1C ZINC000052909654 822815137 /nfs/dbraw/zinc/81/51/37/822815137.db2.gz FKWBUKZYRIOYQF-UHFFFAOYSA-N 1 2 395.513 4.225 20 0 GIADLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cccc(F)c2F)c2ccccc2)c1 ZINC000174633063 822815208 /nfs/dbraw/zinc/81/52/08/822815208.db2.gz DKGPVDREXZXLNK-OAQYLSRUSA-N 1 2 387.451 4.248 20 0 GIADLO Cc1ccc(-n2nc(C(=O)Nc3ccccc3-n3cc[nH+]c3)c3c2CCC3)cc1 ZINC000052926859 822815849 /nfs/dbraw/zinc/81/58/49/822815849.db2.gz PFLWQEKKIRLROG-UHFFFAOYSA-N 1 2 383.455 4.107 20 0 GIADLO Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccccc2-n2cc[nH+]c2)s1 ZINC000052926855 822815901 /nfs/dbraw/zinc/81/59/01/822815901.db2.gz WVZFWEWPIMRSDN-UHFFFAOYSA-N 1 2 395.484 4.193 20 0 GIADLO C[C@H](O)C[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccccc1 ZINC000185738111 822816255 /nfs/dbraw/zinc/81/62/55/822816255.db2.gz IVPPTDGDXRPAMC-YDHLFZDLSA-N 1 2 396.300 4.499 20 0 GIADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccnc(Cl)c2)cc1 ZINC000052990138 822817701 /nfs/dbraw/zinc/81/77/01/822817701.db2.gz MEXKGBVWTBHPRV-UHFFFAOYSA-N 1 2 398.894 4.063 20 0 GIADLO CCCCn1c(SC[C@@H](O)c2ccc(C)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000174668845 822821289 /nfs/dbraw/zinc/82/12/89/822821289.db2.gz LXKIJUMDPBGPQP-QZTJIDSGSA-N 1 2 376.570 4.225 20 0 GIADLO O=C(C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1)Nc1cccnc1Cl ZINC000053109264 822821968 /nfs/dbraw/zinc/82/19/68/822821968.db2.gz WZPAYPCNUIGAEF-UHFFFAOYSA-N 1 2 383.801 4.357 20 0 GIADLO O=C(C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1)Nc1cccnc1Cl ZINC000053109264 822821972 /nfs/dbraw/zinc/82/19/72/822821972.db2.gz WZPAYPCNUIGAEF-UHFFFAOYSA-N 1 2 383.801 4.357 20 0 GIADLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000053127047 822822913 /nfs/dbraw/zinc/82/29/13/822822913.db2.gz MAAZTKZHZNQXCB-CXAGYDPISA-N 1 2 392.409 4.195 20 0 GIADLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000053127047 822822916 /nfs/dbraw/zinc/82/29/16/822822916.db2.gz MAAZTKZHZNQXCB-CXAGYDPISA-N 1 2 392.409 4.195 20 0 GIADLO O=C(CCCc1ccc(Cl)c(Cl)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000053188860 822825448 /nfs/dbraw/zinc/82/54/48/822825448.db2.gz KPGXFNRGVMTYFD-UHFFFAOYSA-N 1 2 392.330 4.496 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1(c2ccccc2)CC1 ZINC000174708989 822826670 /nfs/dbraw/zinc/82/66/70/822826670.db2.gz IJDZRWAMCXQSDV-UHFFFAOYSA-N 1 2 392.547 4.061 20 0 GIADLO COCCn1c2ccccc2[nH+]c1NCc1cccc(OCc2ccccn2)c1 ZINC000185849541 822827281 /nfs/dbraw/zinc/82/72/81/822827281.db2.gz CSIQZEPCRIXODW-UHFFFAOYSA-N 1 2 388.471 4.269 20 0 GIADLO Clc1cccc(-c2n[nH]cc2C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185864373 822828185 /nfs/dbraw/zinc/82/81/85/822828185.db2.gz JKRASBYGLSDGSB-UHFFFAOYSA-N 1 2 375.863 4.477 20 0 GIADLO CCC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000185874764 822829176 /nfs/dbraw/zinc/82/91/76/822829176.db2.gz GLIWOXJHMNQJSK-KRWDZBQOSA-N 1 2 378.563 4.368 20 0 GIADLO CCC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000185874764 822829179 /nfs/dbraw/zinc/82/91/79/822829179.db2.gz GLIWOXJHMNQJSK-KRWDZBQOSA-N 1 2 378.563 4.368 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1(C(C)(C)c3ccc(F)cc3)CC1)C2 ZINC000456773024 822830160 /nfs/dbraw/zinc/83/01/60/822830160.db2.gz MHBDVPLHSCSGCK-HNNXBMFYSA-N 1 2 383.511 4.404 20 0 GIADLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1(C(C)(C)c3ccc(F)cc3)CC1)CC2 ZINC000456773024 822830165 /nfs/dbraw/zinc/83/01/65/822830165.db2.gz MHBDVPLHSCSGCK-HNNXBMFYSA-N 1 2 383.511 4.404 20 0 GIADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000053406255 822833410 /nfs/dbraw/zinc/83/34/10/822833410.db2.gz CJGCGILMYWNZCW-UHFFFAOYSA-N 1 2 386.430 4.422 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000185923979 822833930 /nfs/dbraw/zinc/83/39/30/822833930.db2.gz CPXHEONMGQYDIX-LLVKDONJSA-N 1 2 379.354 4.120 20 0 GIADLO CC[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1nc(C(F)(F)F)cs1 ZINC000185924028 822834182 /nfs/dbraw/zinc/83/41/82/822834182.db2.gz AGFFYOZAFWXNET-SNVBAGLBSA-N 1 2 379.354 4.120 20 0 GIADLO CC[C@H]([NH2+]CC(=O)Nc1cc(C)ccc1OC)c1nc(C(F)(F)F)cs1 ZINC000185930275 822834739 /nfs/dbraw/zinc/83/47/39/822834739.db2.gz ZQDFEVUAQBBFLX-NSHDSACASA-N 1 2 387.427 4.158 20 0 GIADLO Cc1cc(C)c(CNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)c[nH+]1 ZINC000456831765 822836205 /nfs/dbraw/zinc/83/62/05/822836205.db2.gz DWJIVJMCMHSEKX-LBPRGKRZSA-N 1 2 379.273 4.410 20 0 GIADLO CCc1nc(NC(=O)C[NH2+][C@H](CC)c2nc(C(F)(F)F)cs2)sc1C ZINC000185952574 822836700 /nfs/dbraw/zinc/83/67/00/822836700.db2.gz KDYDAAHKGYFYAD-SNVBAGLBSA-N 1 2 392.472 4.169 20 0 GIADLO Cc1cc(C)c(CNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c[nH+]1 ZINC000456845655 822837549 /nfs/dbraw/zinc/83/75/49/822837549.db2.gz SNPFJCKFXIEAAT-UHFFFAOYSA-N 1 2 385.920 4.258 20 0 GIADLO CC[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1nc(C(F)(F)F)cs1 ZINC000185963942 822838345 /nfs/dbraw/zinc/83/83/45/822838345.db2.gz VILXZQLQCJBGHW-GFCCVEGCSA-N 1 2 376.375 4.408 20 0 GIADLO Cc1cc(C)c(CNC(=O)CCSc2ccccc2Br)c[nH+]1 ZINC000456866922 822839290 /nfs/dbraw/zinc/83/92/90/822839290.db2.gz VPSGFZOVSUTCLZ-UHFFFAOYSA-N 1 2 379.323 4.260 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000174837426 822844381 /nfs/dbraw/zinc/84/43/81/822844381.db2.gz FNOJIAZHHSSXMK-NRFANRHFSA-N 1 2 392.547 4.060 20 0 GIADLO COc1ccc([C@@H](NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c2ccco2)cc1 ZINC000456981954 822844586 /nfs/dbraw/zinc/84/45/86/822844586.db2.gz AHBOXTPEUHJMGO-HRAATJIYSA-N 1 2 393.487 4.145 20 0 GIADLO COc1ccc([C@@H](NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c2ccco2)cc1 ZINC000456981954 822844590 /nfs/dbraw/zinc/84/45/90/822844590.db2.gz AHBOXTPEUHJMGO-HRAATJIYSA-N 1 2 393.487 4.145 20 0 GIADLO CC[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000174845093 822845491 /nfs/dbraw/zinc/84/54/91/822845491.db2.gz IWWWHBNVRFQXBN-WFASDCNBSA-N 1 2 397.466 4.176 20 0 GIADLO CC[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1nc(C(F)(F)F)cs1 ZINC000174845093 822845493 /nfs/dbraw/zinc/84/54/93/822845493.db2.gz IWWWHBNVRFQXBN-WFASDCNBSA-N 1 2 397.466 4.176 20 0 GIADLO C[N@H+](CCOC(c1ccccc1)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000053778711 822847746 /nfs/dbraw/zinc/84/77/46/822847746.db2.gz PVPOOENMVKKNGD-UHFFFAOYSA-N 1 2 399.494 4.161 20 0 GIADLO C[N@@H+](CCOC(c1ccccc1)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000053778711 822847750 /nfs/dbraw/zinc/84/77/50/822847750.db2.gz PVPOOENMVKKNGD-UHFFFAOYSA-N 1 2 399.494 4.161 20 0 GIADLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000186062550 822848543 /nfs/dbraw/zinc/84/85/43/822848543.db2.gz CFNGFFROQXWSGI-INIZCTEOSA-N 1 2 387.487 4.278 20 0 GIADLO C[C@H](c1cccs1)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000053814077 822849253 /nfs/dbraw/zinc/84/92/53/822849253.db2.gz HAWLRBAHUOJTIA-OAHLLOKOSA-N 1 2 383.517 4.039 20 0 GIADLO C[C@H](c1cccs1)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000053814077 822849257 /nfs/dbraw/zinc/84/92/57/822849257.db2.gz HAWLRBAHUOJTIA-OAHLLOKOSA-N 1 2 383.517 4.039 20 0 GIADLO CCc1c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1ccc(Cl)cc1 ZINC000186095453 822851033 /nfs/dbraw/zinc/85/10/33/822851033.db2.gz TWJJWFXACDQLKW-QRWLVFNGSA-N 1 2 397.910 4.008 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(OC(F)F)c1 ZINC000174893646 822851676 /nfs/dbraw/zinc/85/16/76/822851676.db2.gz RYPBAXLXSFPYKB-UHFFFAOYSA-N 1 2 389.446 4.062 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)Cc1ccccc1F ZINC000174898665 822852630 /nfs/dbraw/zinc/85/26/30/822852630.db2.gz LABJUZPAESYPHL-GOSISDBHSA-N 1 2 383.511 4.164 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCCOc1ccccc1 ZINC000174901826 822853022 /nfs/dbraw/zinc/85/30/22/822853022.db2.gz MDZOKSHCUDWBCB-UHFFFAOYSA-N 1 2 381.520 4.006 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1sccc1SC ZINC000174915465 822855361 /nfs/dbraw/zinc/85/53/61/822855361.db2.gz LXCZZYSPRTUVGK-UHFFFAOYSA-N 1 2 375.563 4.244 20 0 GIADLO CCCCOc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000186153868 822856175 /nfs/dbraw/zinc/85/61/75/822856175.db2.gz ASOXYGDERNXZDW-MRXNPFEDSA-N 1 2 389.927 4.347 20 0 GIADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC000186154443 822856291 /nfs/dbraw/zinc/85/62/91/822856291.db2.gz UDKZFIGQFYKYJA-SFHVURJKSA-N 1 2 383.561 4.164 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCCc2occc21 ZINC000174942073 822858838 /nfs/dbraw/zinc/85/88/38/822858838.db2.gz ZLEACBPRJHCBDY-IBGZPJMESA-N 1 2 382.508 4.000 20 0 GIADLO Cc1cc(C)c(CNC(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c[nH+]1 ZINC000568961427 822865338 /nfs/dbraw/zinc/86/53/38/822865338.db2.gz KIUIAPHMYKOSSW-KRWDZBQOSA-N 1 2 376.382 4.283 20 0 GIADLO CC[C@H](C)[N@H+](CCO)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 ZINC000568969427 822866290 /nfs/dbraw/zinc/86/62/90/822866290.db2.gz KJKLSZWYRKGNDD-KRWDZBQOSA-N 1 2 389.565 4.346 20 0 GIADLO CC[C@H](C)[N@@H+](CCO)Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 ZINC000568969427 822866293 /nfs/dbraw/zinc/86/62/93/822866293.db2.gz KJKLSZWYRKGNDD-KRWDZBQOSA-N 1 2 389.565 4.346 20 0 GIADLO O=C(Nc1nccs1)C1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000054180398 822866342 /nfs/dbraw/zinc/86/63/42/822866342.db2.gz GZDZNJIHSPNNTJ-UHFFFAOYSA-N 1 2 398.557 4.041 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC2(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000186263007 822866607 /nfs/dbraw/zinc/86/66/07/822866607.db2.gz XHVBKGAIZSVQCO-OALUTQOASA-N 1 2 393.531 4.193 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054297713 822873828 /nfs/dbraw/zinc/87/38/28/822873828.db2.gz MROLQYLMSHXRAY-SFHVURJKSA-N 1 2 394.515 4.234 20 0 GIADLO Cn1c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 ZINC000186320042 822875712 /nfs/dbraw/zinc/87/57/12/822875712.db2.gz ILINJUBSIPHAKR-QGZVFWFLSA-N 1 2 396.878 4.201 20 0 GIADLO Cn1c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 ZINC000186320042 822875716 /nfs/dbraw/zinc/87/57/16/822875716.db2.gz ILINJUBSIPHAKR-QGZVFWFLSA-N 1 2 396.878 4.201 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2sc(C)cc2Br)c1C ZINC000457499593 822882013 /nfs/dbraw/zinc/88/20/13/822882013.db2.gz BWYNZMSFVIOGIA-UHFFFAOYSA-N 1 2 383.311 4.112 20 0 GIADLO Cn1c[nH+]c(CCNC(=O)N[C@H](CCCc2ccccc2)c2ccccc2)c1 ZINC000457553843 822890125 /nfs/dbraw/zinc/89/01/25/822890125.db2.gz RDOWPJGNSAZYAB-JOCHJYFZSA-N 1 2 376.504 4.026 20 0 GIADLO CC(C)(C)OCc1cc(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)no1 ZINC000186419806 822891610 /nfs/dbraw/zinc/89/16/10/822891610.db2.gz NBAWNLAHWUNNNA-UHFFFAOYSA-N 1 2 381.476 4.254 20 0 GIADLO CC[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(OC(F)F)cc1 ZINC000186425363 822892662 /nfs/dbraw/zinc/89/26/62/822892662.db2.gz QHIDGSPHNYZNDR-KRWDZBQOSA-N 1 2 388.418 4.226 20 0 GIADLO CCN(C(=O)c1[nH]ccc1C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000457580734 822894181 /nfs/dbraw/zinc/89/41/81/822894181.db2.gz QGPXLAYGLSAZGB-UHFFFAOYSA-N 1 2 395.551 4.245 20 0 GIADLO Cc1c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)sc2nccc(C)c12 ZINC000569231625 822894897 /nfs/dbraw/zinc/89/48/97/822894897.db2.gz FKZCGTGGNVPBNK-WKILWMFISA-N 1 2 380.517 4.461 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc2c(cn1)CCCC2 ZINC000569252167 822896586 /nfs/dbraw/zinc/89/65/86/822896586.db2.gz FXEMZAIFVHTSOS-UHFFFAOYSA-N 1 2 393.535 4.126 20 0 GIADLO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457663222 822903064 /nfs/dbraw/zinc/90/30/64/822903064.db2.gz HLDZCCJBWFVAPU-PWHSHALESA-N 1 2 388.515 4.408 20 0 GIADLO Cc1noc(C2CC[NH+](CC(=O)Nc3c(C(C)C)cccc3C(C)C)CC2)n1 ZINC000054679086 822905385 /nfs/dbraw/zinc/90/53/85/822905385.db2.gz BGBMBUHJSJYEPG-UHFFFAOYSA-N 1 2 384.524 4.443 20 0 GIADLO CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175217470 822906953 /nfs/dbraw/zinc/90/69/53/822906953.db2.gz JAMDPRBZOHECKI-WOUAJJJCSA-N 1 2 391.581 4.092 20 0 GIADLO CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175217470 822906955 /nfs/dbraw/zinc/90/69/55/822906955.db2.gz JAMDPRBZOHECKI-WOUAJJJCSA-N 1 2 391.581 4.092 20 0 GIADLO CN(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000457691074 822907095 /nfs/dbraw/zinc/90/70/95/822907095.db2.gz YFMYKNPQKCDERM-DHIUTWEWSA-N 1 2 388.515 4.409 20 0 GIADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(-c4cccs4)on3)n2)C1 ZINC000054725540 822907805 /nfs/dbraw/zinc/90/78/05/822907805.db2.gz FWOXSCIPDHODLE-GFCCVEGCSA-N 1 2 388.518 4.344 20 0 GIADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(-c4cccs4)on3)n2)C1 ZINC000054725540 822907807 /nfs/dbraw/zinc/90/78/07/822907807.db2.gz FWOXSCIPDHODLE-GFCCVEGCSA-N 1 2 388.518 4.344 20 0 GIADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000457783871 822919060 /nfs/dbraw/zinc/91/90/60/822919060.db2.gz CFRUDBVSKCJUKS-LJQANCHMSA-N 1 2 386.927 4.352 20 0 GIADLO Fc1ccc(OCc2nc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)cs2)cc1 ZINC000186605191 822922625 /nfs/dbraw/zinc/92/26/25/822922625.db2.gz XRWNXXJCLOXXTE-QFIPXVFZSA-N 1 2 396.487 4.493 20 0 GIADLO Fc1ccc(OCc2nc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)cs2)cc1 ZINC000186605191 822922627 /nfs/dbraw/zinc/92/26/27/822922627.db2.gz XRWNXXJCLOXXTE-QFIPXVFZSA-N 1 2 396.487 4.493 20 0 GIADLO CC(C)(C)NC(=S)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000054924655 822922656 /nfs/dbraw/zinc/92/26/56/822922656.db2.gz HOMNYGUXLWWTHL-UHFFFAOYSA-N 1 2 382.936 4.241 20 0 GIADLO CCCCC1CCC(C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)CC1 ZINC000186615094 822923926 /nfs/dbraw/zinc/92/39/26/822923926.db2.gz AXPRBXQGBXMPFB-UHFFFAOYSA-N 1 2 399.579 4.286 20 0 GIADLO Cc1ccc(SCc2cccc(C(=O)NCCc3cn(C)c[nH+]3)c2)c(C)c1 ZINC000457888534 822928994 /nfs/dbraw/zinc/92/89/94/822928994.db2.gz SSERGJCIPHYRAY-UHFFFAOYSA-N 1 2 379.529 4.302 20 0 GIADLO Cc1ccc(CNC(=O)C2CC[NH+](Cc3csc(C(C)(C)C)n3)CC2)cc1 ZINC000175317264 822933277 /nfs/dbraw/zinc/93/32/77/822933277.db2.gz QAJZOKMBDDXVTH-UHFFFAOYSA-N 1 2 385.577 4.277 20 0 GIADLO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1nc2c(s1)CCC2 ZINC000457921149 822936163 /nfs/dbraw/zinc/93/61/63/822936163.db2.gz NCUUXXYVSOWWLL-RDTXWAMCSA-N 1 2 387.524 4.003 20 0 GIADLO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1nc2c(s1)CCC2 ZINC000457921149 822936167 /nfs/dbraw/zinc/93/61/67/822936167.db2.gz NCUUXXYVSOWWLL-RDTXWAMCSA-N 1 2 387.524 4.003 20 0 GIADLO Cc1[nH]c2ccc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)cc2[nH+]1 ZINC000055228217 822947091 /nfs/dbraw/zinc/94/70/91/822947091.db2.gz SVYUNMJGGKEKRM-NRFANRHFSA-N 1 2 398.466 4.371 20 0 GIADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000457989138 822948172 /nfs/dbraw/zinc/94/81/72/822948172.db2.gz AMSCCUPYILLMLH-UHFFFAOYSA-N 1 2 393.918 4.266 20 0 GIADLO O=C(NCC(C1CC1)C1CC1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000569665038 822952598 /nfs/dbraw/zinc/95/25/98/822952598.db2.gz LYBUXKILKIPOSO-UHFFFAOYSA-N 1 2 386.927 4.185 20 0 GIADLO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175389495 822956061 /nfs/dbraw/zinc/95/60/61/822956061.db2.gz GSPBJWAXZHQVCW-ZHRRBRCNSA-N 1 2 392.478 4.193 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175413943 822962983 /nfs/dbraw/zinc/96/29/83/822962983.db2.gz QDRLQSNRYSGRRZ-SXBQZSJRSA-N 1 2 378.925 4.017 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175413943 822962985 /nfs/dbraw/zinc/96/29/85/822962985.db2.gz QDRLQSNRYSGRRZ-SXBQZSJRSA-N 1 2 378.925 4.017 20 0 GIADLO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000569789531 822969471 /nfs/dbraw/zinc/96/94/71/822969471.db2.gz JVKZWJFMDAUGLV-YHBQJITHSA-N 1 2 383.879 4.277 20 0 GIADLO C[C@@H](NC(=O)N1CCC(OCC2CCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175456225 822973721 /nfs/dbraw/zinc/97/37/21/822973721.db2.gz RCVLLSOCZSUKFQ-GOSISDBHSA-N 1 2 396.535 4.314 20 0 GIADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000569874743 822979154 /nfs/dbraw/zinc/97/91/54/822979154.db2.gz AJNDJSBPVRISNS-RDJZCZTQSA-N 1 2 399.362 4.028 20 0 GIADLO C[C@@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ncc(Br)cc1F ZINC000186921521 822980279 /nfs/dbraw/zinc/98/02/79/822980279.db2.gz IXRBYCYBLWMNFB-CZUORRHYSA-N 1 2 396.304 4.454 20 0 GIADLO CC(C)c1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)nc1 ZINC000569893371 822981862 /nfs/dbraw/zinc/98/18/62/822981862.db2.gz ZUZZDGZNYBEIAN-UHFFFAOYSA-N 1 2 388.475 4.094 20 0 GIADLO C[C@H](CC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21)n1cc[nH+]c1 ZINC000569978032 822992227 /nfs/dbraw/zinc/99/22/27/822992227.db2.gz VOUIGZGXAMZNGQ-DOMZBBRYSA-N 1 2 394.338 4.292 20 0 GIADLO CC(C)c1c(C(=O)NCc2ccccc2-n2cc[nH+]c2)cnn1-c1ccccc1 ZINC000055696919 823000265 /nfs/dbraw/zinc/00/02/65/823000265.db2.gz HRNZJKZLXXPOQB-UHFFFAOYSA-N 1 2 385.471 4.111 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(C2SCCS2)cc1 ZINC000055696182 823000284 /nfs/dbraw/zinc/00/02/84/823000284.db2.gz UTFQTYYWYJMHQC-UHFFFAOYSA-N 1 2 381.526 4.281 20 0 GIADLO Cc1ccc(-c2nc(C)c(C(=O)NCc3ccccc3-n3cc[nH+]c3)s2)o1 ZINC000055697015 823000351 /nfs/dbraw/zinc/00/03/51/823000351.db2.gz HSHGRSRIGMCGRC-UHFFFAOYSA-N 1 2 378.457 4.136 20 0 GIADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]3Cc3ccccc3Br)ccn12 ZINC000570060445 823001725 /nfs/dbraw/zinc/00/17/25/823001725.db2.gz VEHSDZHMURSWBN-QGZVFWFLSA-N 1 2 398.304 4.253 20 0 GIADLO Cc1ncsc1CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000570079793 823003943 /nfs/dbraw/zinc/00/39/43/823003943.db2.gz RCIPRCPVJCXJMP-UHFFFAOYSA-N 1 2 385.562 4.310 20 0 GIADLO C[C@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000187104584 823011158 /nfs/dbraw/zinc/01/11/58/823011158.db2.gz YOAQABNZEMJMDP-LAUBAEHRSA-N 1 2 376.460 4.187 20 0 GIADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ncoc1-c1ccccc1Cl ZINC000175663367 823015335 /nfs/dbraw/zinc/01/53/35/823015335.db2.gz OLBAWIQSRVFGHQ-UHFFFAOYSA-N 1 2 378.819 4.111 20 0 GIADLO O=C(c1ccccc1)C1CC[NH+](Cc2cn3ccc(Br)cc3n2)CC1 ZINC000570209984 823015593 /nfs/dbraw/zinc/01/55/93/823015593.db2.gz ZSMXSPCNFVPBNI-UHFFFAOYSA-N 1 2 398.304 4.192 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(SC)s1 ZINC000570209946 823015660 /nfs/dbraw/zinc/01/56/60/823015660.db2.gz YCAMHGWOSKIAGU-INIZCTEOSA-N 1 2 376.547 4.390 20 0 GIADLO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(SC)s1 ZINC000570209946 823015664 /nfs/dbraw/zinc/01/56/64/823015664.db2.gz YCAMHGWOSKIAGU-INIZCTEOSA-N 1 2 376.547 4.390 20 0 GIADLO Cc1c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cnn1-c1ccc(Cl)cc1 ZINC000570243495 823018352 /nfs/dbraw/zinc/01/83/52/823018352.db2.gz DFXAUCXKYLUDLW-UHFFFAOYSA-N 1 2 391.862 4.331 20 0 GIADLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000570315915 823025132 /nfs/dbraw/zinc/02/51/32/823025132.db2.gz HBNQLRPWTYYWHN-UHFFFAOYSA-N 1 2 399.332 4.193 20 0 GIADLO CC(C)Oc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000187247370 823030200 /nfs/dbraw/zinc/03/02/00/823030200.db2.gz ZAMUJUAPGJROQI-OAHLLOKOSA-N 1 2 390.915 4.347 20 0 GIADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000570372150 823030805 /nfs/dbraw/zinc/03/08/05/823030805.db2.gz XUKBPEVDICPOIT-LPHOPBHVSA-N 1 2 398.869 4.079 20 0 GIADLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000458429596 823039215 /nfs/dbraw/zinc/03/92/15/823039215.db2.gz XIYMWKQJUPCHPM-LZWOXQAQSA-N 1 2 380.414 4.133 20 0 GIADLO Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)c(C)[nH+]1 ZINC000187312914 823041605 /nfs/dbraw/zinc/04/16/05/823041605.db2.gz WCJUVJCAPJGXNQ-UHFFFAOYSA-N 1 2 377.469 4.342 20 0 GIADLO CCSc1cc(Cl)ccc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123824526 823543411 /nfs/dbraw/zinc/54/34/11/823543411.db2.gz ALEJRLSPGPDYSW-AWEZNQCLSA-N 1 2 377.941 4.280 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c(F)c(F)cc(F)c1F ZINC000177913157 823545658 /nfs/dbraw/zinc/54/56/58/823545658.db2.gz NRFGMLOGCZCTCQ-UHFFFAOYSA-N 1 2 395.400 4.017 20 0 GIADLO CCN(C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)C ZINC000460935552 823545759 /nfs/dbraw/zinc/54/57/59/823545759.db2.gz DCMNACSVJNEAJD-UHFFFAOYSA-N 1 2 375.561 4.049 20 0 GIADLO Cc1nc(CC2CC2)sc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000190178228 823546977 /nfs/dbraw/zinc/54/69/77/823546977.db2.gz AUWMQVBRXIXEML-UHFFFAOYSA-N 1 2 390.578 4.345 20 0 GIADLO O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060627997 823549225 /nfs/dbraw/zinc/54/92/25/823549225.db2.gz FCODLEGWFHXVKX-UHFFFAOYSA-N 1 2 384.439 4.158 20 0 GIADLO Cc1nc(C[NH+]2CCC(CNc3cc(C)c4ccc(C)cc4n3)CC2)oc1C ZINC000460964659 823551866 /nfs/dbraw/zinc/55/18/66/823551866.db2.gz VMEWIVGUQMCJSY-UHFFFAOYSA-N 1 2 378.520 4.202 20 0 GIADLO Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000411179576 823554871 /nfs/dbraw/zinc/55/48/71/823554871.db2.gz PAKLTMCODUWWTK-UHFFFAOYSA-N 1 2 391.471 4.076 20 0 GIADLO CCCC[C@@H](NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)c1ccc(OC)cc1 ZINC000411213311 823557793 /nfs/dbraw/zinc/55/77/93/823557793.db2.gz WYQZFZNGTWFJFE-LJQANCHMSA-N 1 2 383.492 4.002 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H](c2ccccc2Cl)C(C)C)c(C)[nH+]1 ZINC000411218274 823558140 /nfs/dbraw/zinc/55/81/40/823558140.db2.gz BSCDZCJAFKWPTA-LJQANCHMSA-N 1 2 387.911 4.454 20 0 GIADLO CCCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000060876521 823564080 /nfs/dbraw/zinc/56/40/80/823564080.db2.gz YWHIBBNDQKJYDA-UHFFFAOYSA-N 1 2 387.749 4.231 20 0 GIADLO CC(C)(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1F ZINC000190334526 823564092 /nfs/dbraw/zinc/56/40/92/823564092.db2.gz AFMQBLAVWDPJOK-UHFFFAOYSA-N 1 2 385.870 4.318 20 0 GIADLO COc1ccccc1C(C)(C)[NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000411360872 823566359 /nfs/dbraw/zinc/56/63/59/823566359.db2.gz GLDFRUXZLSBFRN-UHFFFAOYSA-N 1 2 382.533 4.186 20 0 GIADLO c1c(C[NH2+]Cc2nnc3n2CCCCC3)c(-c2ccccc2)nn1-c1ccccc1 ZINC000061015468 823573169 /nfs/dbraw/zinc/57/31/69/823573169.db2.gz YYDYWIBAHXRILY-UHFFFAOYSA-N 1 2 398.514 4.147 20 0 GIADLO CC[C@@]1(C)Oc2ccc(NC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cc2O1 ZINC000190438037 823573938 /nfs/dbraw/zinc/57/39/38/823573938.db2.gz NOGDEHCANNGJAU-QFIPXVFZSA-N 1 2 392.459 4.151 20 0 GIADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Cc1ccc(C)cc1 ZINC000061071110 823576956 /nfs/dbraw/zinc/57/69/56/823576956.db2.gz PHCDQLHKZVAURP-UHFFFAOYSA-N 1 2 391.515 4.252 20 0 GIADLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccc(F)c(F)c1 ZINC000461105957 823578466 /nfs/dbraw/zinc/57/84/66/823578466.db2.gz DUYSKKLCWYDJMH-UKRRQHHQSA-N 1 2 394.412 4.127 20 0 GIADLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccc(F)c(F)c1 ZINC000461105957 823578470 /nfs/dbraw/zinc/57/84/70/823578470.db2.gz DUYSKKLCWYDJMH-UKRRQHHQSA-N 1 2 394.412 4.127 20 0 GIADLO CC1(C)C[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c2ccccc2O1 ZINC000411480585 823579898 /nfs/dbraw/zinc/57/98/98/823579898.db2.gz XTRRLIPEDPXZIG-IBGZPJMESA-N 1 2 379.504 4.033 20 0 GIADLO Fc1ccc(OC2CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)cn1 ZINC000190488938 823580501 /nfs/dbraw/zinc/58/05/01/823580501.db2.gz MJYSLKBNTXRCLI-UHFFFAOYSA-N 1 2 386.858 4.103 20 0 GIADLO COc1cc(C)[nH+]c(CN[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 ZINC000411504183 823582024 /nfs/dbraw/zinc/58/20/24/823582024.db2.gz YSTDIHQUWTYVHF-HNNXBMFYSA-N 1 2 376.325 4.393 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)C(C)C)c(C)[nH+]1 ZINC000411535201 823585726 /nfs/dbraw/zinc/58/57/26/823585726.db2.gz QTOYFFXPOFJLBM-SFHVURJKSA-N 1 2 387.911 4.155 20 0 GIADLO Cc1cnn(-c2ccc([C@@H](C)[NH2+][C@@H](C)c3nc(-c4cccnc4)no3)cc2F)c1 ZINC000124306482 823585926 /nfs/dbraw/zinc/58/59/26/823585926.db2.gz RFGIJRASONYPMU-CABCVRRESA-N 1 2 392.438 4.177 20 0 GIADLO CCOc1ccc(NC(=O)CC[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000411536922 823586071 /nfs/dbraw/zinc/58/60/71/823586071.db2.gz SBHWKCFYQOPBLL-HNNXBMFYSA-N 1 2 386.496 4.195 20 0 GIADLO Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000190558045 823586235 /nfs/dbraw/zinc/58/62/35/823586235.db2.gz HZCMCQYXAUICEG-GUYCJALGSA-N 1 2 380.414 4.003 20 0 GIADLO Cc1cc(C)c(NC(=O)C(=O)NC2(c3cccc(Cl)c3)CCCC2)c(C)[nH+]1 ZINC000411549514 823587561 /nfs/dbraw/zinc/58/75/61/823587561.db2.gz HGNKCHZKDAHLFY-UHFFFAOYSA-N 1 2 385.895 4.184 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccccc1N1CCCCC1 ZINC000190644586 823594824 /nfs/dbraw/zinc/59/48/24/823594824.db2.gz FYSGUIXUSNJJAE-UHFFFAOYSA-N 1 2 397.567 4.058 20 0 GIADLO Cc1ccc([C@H]([NH2+]CC(=O)N2CCC[C@@H]3CCCC[C@H]32)c2ccccn2)cc1 ZINC000411657374 823595113 /nfs/dbraw/zinc/59/51/13/823595113.db2.gz GSUVCAYEUQASFO-KWOQKUFVSA-N 1 2 377.532 4.250 20 0 GIADLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000124441150 823597152 /nfs/dbraw/zinc/59/71/52/823597152.db2.gz JWAKJCDDKXLUJT-UHFFFAOYSA-N 1 2 391.899 4.484 20 0 GIADLO COCC[C@H]([NH2+]Cc1nc(N)c2ccccc2n1)c1ccc(Cl)c(Cl)c1 ZINC000411691463 823597522 /nfs/dbraw/zinc/59/75/22/823597522.db2.gz CFNJTDHBEGLRFU-INIZCTEOSA-N 1 2 391.302 4.217 20 0 GIADLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)cc2)c1C ZINC000461202146 823597670 /nfs/dbraw/zinc/59/76/70/823597670.db2.gz WZONTRHXYXWMQS-UHFFFAOYSA-N 1 2 397.500 4.003 20 0 GIADLO COc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1SC(F)(F)F ZINC000124502189 823602059 /nfs/dbraw/zinc/60/20/59/823602059.db2.gz UUSYMPOMVNZKPM-UHFFFAOYSA-N 1 2 397.466 4.020 20 0 GIADLO CS(=O)(=O)CC1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411755199 823602611 /nfs/dbraw/zinc/60/26/11/823602611.db2.gz GSHFSSFXLOQYIO-FQEVSTJZSA-N 1 2 377.937 4.186 20 0 GIADLO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+]([C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000411799046 823605946 /nfs/dbraw/zinc/60/59/46/823605946.db2.gz YDCBPXUVPYBUJX-SFTDATJTSA-N 1 2 389.948 4.330 20 0 GIADLO O=S1(=O)CC[C@@]2(C1)CCC[N@H+]([C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000411799046 823605948 /nfs/dbraw/zinc/60/59/48/823605948.db2.gz YDCBPXUVPYBUJX-SFTDATJTSA-N 1 2 389.948 4.330 20 0 GIADLO O=C(NCc1cccc(F)c1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000061735299 823610193 /nfs/dbraw/zinc/61/01/93/823610193.db2.gz RUDCTYRDTLUCNJ-SFHVURJKSA-N 1 2 393.865 4.255 20 0 GIADLO O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000124712901 823619959 /nfs/dbraw/zinc/61/99/59/823619959.db2.gz QPFMLRCNDIJMCI-DLBZAZTESA-N 1 2 394.462 4.215 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412000015 823620244 /nfs/dbraw/zinc/62/02/44/823620244.db2.gz NNTYGPBLIOYDJA-NRFANRHFSA-N 1 2 384.907 4.441 20 0 GIADLO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412000015 823620246 /nfs/dbraw/zinc/62/02/46/823620246.db2.gz NNTYGPBLIOYDJA-NRFANRHFSA-N 1 2 384.907 4.441 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412002124 823620631 /nfs/dbraw/zinc/62/06/31/823620631.db2.gz SHMXBONLVXDTOQ-NRFANRHFSA-N 1 2 384.907 4.441 20 0 GIADLO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412002124 823620632 /nfs/dbraw/zinc/62/06/32/823620632.db2.gz SHMXBONLVXDTOQ-NRFANRHFSA-N 1 2 384.907 4.441 20 0 GIADLO S=c1[nH]nc(Cc2cccs2)n1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000124723835 823621035 /nfs/dbraw/zinc/62/10/35/823621035.db2.gz PDXCCQDRGCWNHN-UHFFFAOYSA-N 1 2 392.594 4.364 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000190911462 823623207 /nfs/dbraw/zinc/62/32/07/823623207.db2.gz KKVJKFREZQSEPO-SJLPKXTDSA-N 1 2 375.900 4.010 20 0 GIADLO Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000190911462 823623210 /nfs/dbraw/zinc/62/32/10/823623210.db2.gz KKVJKFREZQSEPO-SJLPKXTDSA-N 1 2 375.900 4.010 20 0 GIADLO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000461367015 823623879 /nfs/dbraw/zinc/62/38/79/823623879.db2.gz QDQHCSZKUQYDQK-INIZCTEOSA-N 1 2 391.437 4.245 20 0 GIADLO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000461367015 823623880 /nfs/dbraw/zinc/62/38/80/823623880.db2.gz QDQHCSZKUQYDQK-INIZCTEOSA-N 1 2 391.437 4.245 20 0 GIADLO COCCCCN(Cc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000062228423 823624865 /nfs/dbraw/zinc/62/48/65/823624865.db2.gz YBYOMAPKHCONNM-UHFFFAOYSA-N 1 2 377.488 4.000 20 0 GIADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000412061896 823624998 /nfs/dbraw/zinc/62/49/98/823624998.db2.gz AMLLVHCZULRGSN-WMZOPIPTSA-N 1 2 387.549 4.037 20 0 GIADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)cs1)c1ccc(C)c(C)c1 ZINC000412061896 823625001 /nfs/dbraw/zinc/62/50/01/823625001.db2.gz AMLLVHCZULRGSN-WMZOPIPTSA-N 1 2 387.549 4.037 20 0 GIADLO Cc1sc2[nH]c(C[N@H+]3CCC[C@H](CO)[C@@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000412062514 823625280 /nfs/dbraw/zinc/62/52/80/823625280.db2.gz ARWRDKGWYPLLBE-WMLDXEAASA-N 1 2 397.544 4.274 20 0 GIADLO Cc1sc2[nH]c(C[N@@H+]3CCC[C@H](CO)[C@@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000412062514 823625282 /nfs/dbraw/zinc/62/52/82/823625282.db2.gz ARWRDKGWYPLLBE-WMLDXEAASA-N 1 2 397.544 4.274 20 0 GIADLO O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000124796035 823626814 /nfs/dbraw/zinc/62/68/14/823626814.db2.gz DIWVGOIOQFUYIR-FGZHOGPDSA-N 1 2 398.470 4.324 20 0 GIADLO CCCC(=O)Nc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1C ZINC000062298299 823628064 /nfs/dbraw/zinc/62/80/64/823628064.db2.gz KMWPUXQZBBWUQD-UHFFFAOYSA-N 1 2 376.460 4.231 20 0 GIADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1cccc(C2CC2)c1 ZINC000412143849 823629970 /nfs/dbraw/zinc/62/99/70/823629970.db2.gz ALMZMYDLAXNPFI-UHFFFAOYSA-N 1 2 377.532 4.267 20 0 GIADLO COc1ccc2oc(C[NH2+][C@H](c3nc(-c4ccncc4)no3)C(C)C)cc2c1 ZINC000124879926 823633625 /nfs/dbraw/zinc/63/36/25/823633625.db2.gz JRLXQBSXRBQQCK-IBGZPJMESA-N 1 2 378.432 4.373 20 0 GIADLO O=C(CC1CCC2(CC1)OCCO2)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000190981408 823633858 /nfs/dbraw/zinc/63/38/58/823633858.db2.gz FTRUTJJZMAJXPR-UHFFFAOYSA-N 1 2 395.503 4.148 20 0 GIADLO COc1cccc(Nc2ccccc2C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000124907184 823635873 /nfs/dbraw/zinc/63/58/73/823635873.db2.gz YWDBHUKOMDVKOX-HTAPYJJXSA-N 1 2 390.487 4.359 20 0 GIADLO COc1ccc(C(=O)CCCCCC(=O)NNc2cc[nH+]cc2Cl)cc1 ZINC000191033084 823640285 /nfs/dbraw/zinc/64/02/85/823640285.db2.gz MVZPUYANVOBQHK-UHFFFAOYSA-N 1 2 375.856 4.020 20 0 GIADLO Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000125032631 823646890 /nfs/dbraw/zinc/64/68/90/823646890.db2.gz CKMWYQPBPRQUBG-UHFFFAOYSA-N 1 2 394.523 4.229 20 0 GIADLO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000125117833 823652688 /nfs/dbraw/zinc/65/26/88/823652688.db2.gz VITMBOLPDFKLCE-MRXNPFEDSA-N 1 2 386.927 4.108 20 0 GIADLO C[C@H](c1nc(-c2ccc(N3CCCCC3)nc2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000191167639 823655580 /nfs/dbraw/zinc/65/55/80/823655580.db2.gz FOSCZKVUMXEIKR-QGZVFWFLSA-N 1 2 389.503 4.241 20 0 GIADLO C[C@H](c1nc(-c2ccc(N3CCCCC3)nc2)no1)[N@H+]1CCc2ccccc2C1 ZINC000191167639 823655581 /nfs/dbraw/zinc/65/55/81/823655581.db2.gz FOSCZKVUMXEIKR-QGZVFWFLSA-N 1 2 389.503 4.241 20 0 GIADLO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)c1nccs1 ZINC000125172499 823656586 /nfs/dbraw/zinc/65/65/86/823656586.db2.gz PTSLKDFYFUMVJW-LBPRGKRZSA-N 1 2 377.311 4.251 20 0 GIADLO C[N@H+](Cc1cncs1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000191191153 823657957 /nfs/dbraw/zinc/65/79/57/823657957.db2.gz RHNDZISPUZOBMT-CQSZACIVSA-N 1 2 397.338 4.095 20 0 GIADLO C[N@@H+](Cc1cncs1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000191191153 823657958 /nfs/dbraw/zinc/65/79/58/823657958.db2.gz RHNDZISPUZOBMT-CQSZACIVSA-N 1 2 397.338 4.095 20 0 GIADLO Cn1cccc1C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000191206091 823659108 /nfs/dbraw/zinc/65/91/08/823659108.db2.gz SRWQOMLMDNIARO-MRXNPFEDSA-N 1 2 387.281 4.175 20 0 GIADLO Cn1cccc1C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000191206091 823659109 /nfs/dbraw/zinc/65/91/09/823659109.db2.gz SRWQOMLMDNIARO-MRXNPFEDSA-N 1 2 387.281 4.175 20 0 GIADLO CCN(Cc1cccs1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000125282407 823664732 /nfs/dbraw/zinc/66/47/32/823664732.db2.gz IFJWUMRVHMBQOK-CALCHBBNSA-N 1 2 387.549 4.411 20 0 GIADLO CCN(Cc1cccs1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000125282407 823664735 /nfs/dbraw/zinc/66/47/35/823664735.db2.gz IFJWUMRVHMBQOK-CALCHBBNSA-N 1 2 387.549 4.411 20 0 GIADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(Cc2ccccc2)C2CC2)C[C@@H](C)O1 ZINC000125284074 823664969 /nfs/dbraw/zinc/66/49/69/823664969.db2.gz RPKPFNJXELCIKO-RTBURBONSA-N 1 2 393.531 4.492 20 0 GIADLO Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)n1 ZINC000461592225 823667344 /nfs/dbraw/zinc/66/73/44/823667344.db2.gz TXBXDYHBCOMDAL-LJQANCHMSA-N 1 2 399.498 4.225 20 0 GIADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191302312 823669255 /nfs/dbraw/zinc/66/92/55/823669255.db2.gz JZVWYVWFFUBVQL-JTQLQIEISA-N 1 2 392.397 4.108 20 0 GIADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191302312 823669256 /nfs/dbraw/zinc/66/92/56/823669256.db2.gz JZVWYVWFFUBVQL-JTQLQIEISA-N 1 2 392.397 4.108 20 0 GIADLO Brc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccncc3)n2)c1 ZINC000125359540 823670523 /nfs/dbraw/zinc/67/05/23/823670523.db2.gz AWGSREXTYHCQDB-MRXNPFEDSA-N 1 2 385.265 4.231 20 0 GIADLO Brc1cccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccncc3)n2)c1 ZINC000125359540 823670524 /nfs/dbraw/zinc/67/05/24/823670524.db2.gz AWGSREXTYHCQDB-MRXNPFEDSA-N 1 2 385.265 4.231 20 0 GIADLO C[NH+](C)[C@H](C(=O)Nc1nnc(SCc2ccccc2)s1)c1ccccc1 ZINC000063506230 823676706 /nfs/dbraw/zinc/67/67/06/823676706.db2.gz FXCLQGVXMORYLQ-INIZCTEOSA-N 1 2 384.530 4.072 20 0 GIADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000125454241 823677561 /nfs/dbraw/zinc/67/75/61/823677561.db2.gz LTMAOXATIXJBRC-UHFFFAOYSA-N 1 2 395.347 4.320 20 0 GIADLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000125454241 823677562 /nfs/dbraw/zinc/67/75/62/823677562.db2.gz LTMAOXATIXJBRC-UHFFFAOYSA-N 1 2 395.347 4.320 20 0 GIADLO Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)o2)c(C)c1 ZINC000125467731 823678521 /nfs/dbraw/zinc/67/85/21/823678521.db2.gz YXHWQBSHUGOXTM-FXAWDEMLSA-N 1 2 393.487 4.395 20 0 GIADLO COCCCOC1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000191385725 823678943 /nfs/dbraw/zinc/67/89/43/823678943.db2.gz ARWYOENUPJQXRS-UHFFFAOYSA-N 1 2 382.751 4.182 20 0 GIADLO Cc1nc(C[NH+]2CCN(c3ccccc3O)CC2)oc1-c1ccc(Cl)cc1 ZINC000125514015 823681871 /nfs/dbraw/zinc/68/18/71/823681871.db2.gz LICVAIXXOOHYIW-UHFFFAOYSA-N 1 2 383.879 4.331 20 0 GIADLO Cc1nnc([C@@H](C)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1 ZINC000125632375 823691662 /nfs/dbraw/zinc/69/16/62/823691662.db2.gz DZLCQCAODHOKBM-IERDGZPVSA-N 1 2 396.922 4.500 20 0 GIADLO Cc1ccc(NC(=O)C[N@H+](Cc2cccnc2)C(C)C)c(Br)c1 ZINC000125640106 823692639 /nfs/dbraw/zinc/69/26/39/823692639.db2.gz PHLYUMJNQOAWPT-UHFFFAOYSA-N 1 2 376.298 4.002 20 0 GIADLO Cc1ccc(NC(=O)C[N@@H+](Cc2cccnc2)C(C)C)c(Br)c1 ZINC000125640106 823692642 /nfs/dbraw/zinc/69/26/42/823692642.db2.gz PHLYUMJNQOAWPT-UHFFFAOYSA-N 1 2 376.298 4.002 20 0 GIADLO C[C@H](c1nnc(SCc2ccncc2F)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000412981331 823696723 /nfs/dbraw/zinc/69/67/23/823696723.db2.gz GTKZUTZWHPUKFV-GFCCVEGCSA-N 1 2 391.903 4.370 20 0 GIADLO Cc1ccsc1CCCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000125694194 823697469 /nfs/dbraw/zinc/69/74/69/823697469.db2.gz MEZYOBJEDDPWHW-UHFFFAOYSA-N 1 2 385.577 4.230 20 0 GIADLO COc1ccccc1-c1nnc(SCc2ccc(-n3cc[nH+]c3)cc2C)n1C ZINC000191544985 823698099 /nfs/dbraw/zinc/69/80/99/823698099.db2.gz KEIWLFKYWCEECI-UHFFFAOYSA-N 1 2 391.500 4.277 20 0 GIADLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nnc(NCC(F)(F)F)s1 ZINC000191560531 823699779 /nfs/dbraw/zinc/69/97/79/823699779.db2.gz HHFVWDIWNNJZGI-UHFFFAOYSA-N 1 2 385.440 4.299 20 0 GIADLO COc1ccccc1Cc1nnc(SCc2ccc(-n3cc[nH+]c3)cc2C)o1 ZINC000191562405 823700127 /nfs/dbraw/zinc/70/01/27/823700127.db2.gz GQPCCFAVACWIMN-UHFFFAOYSA-N 1 2 392.484 4.455 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc(Cl)cc3Cl)[nH+]cn2)C1 ZINC000413028629 823700579 /nfs/dbraw/zinc/70/05/79/823700579.db2.gz QCHHXBHHSXMFIS-RWMBFGLXSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3ccc(Cl)cc3Cl)nc[nH+]2)C1 ZINC000413028629 823700583 /nfs/dbraw/zinc/70/05/83/823700583.db2.gz QCHHXBHHSXMFIS-RWMBFGLXSA-N 1 2 381.307 4.164 20 0 GIADLO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1Cl ZINC000191568014 823701349 /nfs/dbraw/zinc/70/13/49/823701349.db2.gz CKEVFYIGZVIAPO-CHWSQXEVSA-N 1 2 378.904 4.397 20 0 GIADLO CCOc1cccc2cc([C@H](C)Nc3cc(N4CC[C@H]([C@@H](C)O)C4)nc[nH+]3)oc21 ZINC000413045517 823701486 /nfs/dbraw/zinc/70/14/86/823701486.db2.gz YFURLYXDXGDKDY-UXLLHSPISA-N 1 2 396.491 4.002 20 0 GIADLO CCOc1cccc2cc([C@H](C)Nc3cc(N4CC[C@H]([C@@H](C)O)C4)[nH+]cn3)oc21 ZINC000413045517 823701489 /nfs/dbraw/zinc/70/14/89/823701489.db2.gz YFURLYXDXGDKDY-UXLLHSPISA-N 1 2 396.491 4.002 20 0 GIADLO C[C@H]([NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)c1nc(Cc2ccccc2)no1 ZINC000191592949 823706150 /nfs/dbraw/zinc/70/61/50/823706150.db2.gz UIYDKLWFKAPBDF-ZDUSSCGKSA-N 1 2 395.413 4.180 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3cc(Cl)ccc3Cl)[nH+]cn2)C1 ZINC000413098941 823706755 /nfs/dbraw/zinc/70/67/55/823706755.db2.gz QRUBXFXCMYQERW-RWMBFGLXSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3cc(Cl)ccc3Cl)nc[nH+]2)C1 ZINC000413098941 823706758 /nfs/dbraw/zinc/70/67/58/823706758.db2.gz QRUBXFXCMYQERW-RWMBFGLXSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3cc(Cl)ccc3Cl)[nH+]cn2)C1 ZINC000413098948 823706765 /nfs/dbraw/zinc/70/67/65/823706765.db2.gz QRUBXFXCMYQERW-YNEHKIRRSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)c3cc(Cl)ccc3Cl)nc[nH+]2)C1 ZINC000413098948 823706768 /nfs/dbraw/zinc/70/67/68/823706768.db2.gz QRUBXFXCMYQERW-YNEHKIRRSA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H]1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000125801347 823714318 /nfs/dbraw/zinc/71/43/18/823714318.db2.gz BPSBJGGMSBOGPT-QAPCUYQASA-N 1 2 391.437 4.433 20 0 GIADLO C[C@@H]1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000125801775 823714487 /nfs/dbraw/zinc/71/44/87/823714487.db2.gz BPSBJGGMSBOGPT-CRAIPNDOSA-N 1 2 391.437 4.433 20 0 GIADLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000574394698 823718430 /nfs/dbraw/zinc/71/84/30/823718430.db2.gz PISPWGXWAAIGKH-UHFFFAOYSA-N 1 2 399.498 4.152 20 0 GIADLO C[C@H]1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000125824539 823721080 /nfs/dbraw/zinc/72/10/80/823721080.db2.gz NREKTDHUKNBDDC-UWJYYQICSA-N 1 2 394.519 4.125 20 0 GIADLO CCc1c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1-c1ccccc1C ZINC000191638815 823721689 /nfs/dbraw/zinc/72/16/89/823721689.db2.gz QIFSGSADQKVTLX-UTKZUKDTSA-N 1 2 392.507 4.055 20 0 GIADLO CCCCc1ccc(C(=O)CCc2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000574439325 823730118 /nfs/dbraw/zinc/73/01/18/823730118.db2.gz IMSQBZASDBKVBZ-REWPJTCUSA-N 1 2 397.519 4.154 20 0 GIADLO CCCCc1ccc(C(=O)CCc2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000574439325 823730121 /nfs/dbraw/zinc/73/01/21/823730121.db2.gz IMSQBZASDBKVBZ-REWPJTCUSA-N 1 2 397.519 4.154 20 0 GIADLO CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000413223101 823732205 /nfs/dbraw/zinc/73/22/05/823732205.db2.gz WKZFOGRIDHLMCP-HXUWFJFHSA-N 1 2 379.460 4.067 20 0 GIADLO CC(C)(C)OCc1cc(CNc2[nH+]ccc3cc(Br)ccc32)no1 ZINC000413226782 823732505 /nfs/dbraw/zinc/73/25/05/823732505.db2.gz IHWPDMJTOLDZIK-UHFFFAOYSA-N 1 2 390.281 4.334 20 0 GIADLO FC(F)(F)C1CCN(c2cc(N3CCC(C(F)(F)F)CC3)[nH+]cn2)CC1 ZINC000125877156 823734606 /nfs/dbraw/zinc/73/46/06/823734606.db2.gz DUIMIDFWVMVVPN-UHFFFAOYSA-N 1 2 382.352 4.034 20 0 GIADLO Cc1nc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)sc1C(F)(F)F ZINC000574467383 823737554 /nfs/dbraw/zinc/73/75/54/823737554.db2.gz VRTIIULIXOTTSV-UHFFFAOYSA-N 1 2 395.410 4.037 20 0 GIADLO Cc1cc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)ccc1-c1ccccc1 ZINC000413253525 823739090 /nfs/dbraw/zinc/73/90/90/823739090.db2.gz VDIUGYSQDVFBSQ-NQIIRXRSSA-N 1 2 388.515 4.271 20 0 GIADLO Cc1cc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)ccc1-c1ccccc1 ZINC000413253525 823739094 /nfs/dbraw/zinc/73/90/94/823739094.db2.gz VDIUGYSQDVFBSQ-NQIIRXRSSA-N 1 2 388.515 4.271 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@H](C)c3ccc(Cl)cc3Cl)[nH+]cn2)C1 ZINC000413267894 823741529 /nfs/dbraw/zinc/74/15/29/823741529.db2.gz QCHHXBHHSXMFIS-JHJVBQTASA-N 1 2 381.307 4.164 20 0 GIADLO C[C@@H](O)[C@@H]1CCN(c2cc(N[C@H](C)c3ccc(Cl)cc3Cl)nc[nH+]2)C1 ZINC000413267894 823741539 /nfs/dbraw/zinc/74/15/39/823741539.db2.gz QCHHXBHHSXMFIS-JHJVBQTASA-N 1 2 381.307 4.164 20 0 GIADLO Cn1c2ccccc2nc1[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000125913153 823742558 /nfs/dbraw/zinc/74/25/58/823742558.db2.gz QSWMHTHGDKCQTN-JOCHJYFZSA-N 1 2 388.446 4.030 20 0 GIADLO Cc1cccc(F)c1NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000461914331 823751900 /nfs/dbraw/zinc/75/19/00/823751900.db2.gz JPUQFJKWLRALIH-UHFFFAOYSA-N 1 2 391.874 4.016 20 0 GIADLO C[C@@H](CC(F)F)C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000413409564 823771415 /nfs/dbraw/zinc/77/14/15/823771415.db2.gz BMISUNYCMYRTJC-ZDUSSCGKSA-N 1 2 387.833 4.386 20 0 GIADLO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3csc(-c4ccsc4)n3)C2=O)cc1 ZINC000191801069 823772981 /nfs/dbraw/zinc/77/29/81/823772981.db2.gz ALXPCIDNVMXVLC-GOSISDBHSA-N 1 2 383.542 4.071 20 0 GIADLO Cn1c2ccccc2nc1-c1cccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000461969240 823776734 /nfs/dbraw/zinc/77/67/34/823776734.db2.gz JFRFNGOELRJAQQ-QHCPKHFHSA-N 1 2 396.494 4.453 20 0 GIADLO Cn1c2ccccc2nc1-c1cccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000461969240 823776739 /nfs/dbraw/zinc/77/67/39/823776739.db2.gz JFRFNGOELRJAQQ-QHCPKHFHSA-N 1 2 396.494 4.453 20 0 GIADLO OC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Br)CC[C@@H]1C(F)(F)F ZINC000574606937 823778971 /nfs/dbraw/zinc/77/89/71/823778971.db2.gz QBNFDRIPXYXMGQ-JQWIXIFHSA-N 1 2 386.639 4.095 20 0 GIADLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Br)CC[C@@H]1C(F)(F)F ZINC000574606937 823778977 /nfs/dbraw/zinc/77/89/77/823778977.db2.gz QBNFDRIPXYXMGQ-JQWIXIFHSA-N 1 2 386.639 4.095 20 0 GIADLO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(OC(F)F)cc3)CC2)s1 ZINC000064247357 823780231 /nfs/dbraw/zinc/78/02/31/823780231.db2.gz MKFYFCGSNFRPAO-CQSZACIVSA-N 1 2 380.460 4.177 20 0 GIADLO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000126085261 823783329 /nfs/dbraw/zinc/78/33/29/823783329.db2.gz YUVNOACIRCSUAF-MMTVNHQJSA-N 1 2 378.303 4.403 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000126097016 823786597 /nfs/dbraw/zinc/78/65/97/823786597.db2.gz LNDUVQAVPOCGIO-DEOSSOPVSA-N 1 2 378.516 4.060 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000126102152 823787977 /nfs/dbraw/zinc/78/79/77/823787977.db2.gz CTZFBLMQSZIBTB-UHFFFAOYSA-N 1 2 398.551 4.154 20 0 GIADLO CN(C(=O)NCc1c[nH+]cn1C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000461995757 823787990 /nfs/dbraw/zinc/78/79/90/823787990.db2.gz SAQGBONKLROMAF-LJQANCHMSA-N 1 2 386.858 4.144 20 0 GIADLO CCN(C(=O)[C@@H](C)CC(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000413502400 823788220 /nfs/dbraw/zinc/78/82/20/823788220.db2.gz QRWDERSAMRQXHR-AWEZNQCLSA-N 1 2 382.499 4.017 20 0 GIADLO C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000164295556 823793714 /nfs/dbraw/zinc/79/37/14/823793714.db2.gz DRRUJBKBPCQSPB-HXUWFJFHSA-N 1 2 385.515 4.221 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000126126031 823794705 /nfs/dbraw/zinc/79/47/05/823794705.db2.gz CZYCFMREYBZXMF-UHFFFAOYSA-N 1 2 379.287 4.386 20 0 GIADLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000064344294 823797430 /nfs/dbraw/zinc/79/74/30/823797430.db2.gz NYXMJVPKMFLWCT-NRFANRHFSA-N 1 2 386.561 4.459 20 0 GIADLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000064344294 823797434 /nfs/dbraw/zinc/79/74/34/823797434.db2.gz NYXMJVPKMFLWCT-NRFANRHFSA-N 1 2 386.561 4.459 20 0 GIADLO C[C@H](c1nnc(SCCCC2CCOCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000574680330 823799135 /nfs/dbraw/zinc/79/91/35/823799135.db2.gz GRDWXNJTEVDSDH-OAHLLOKOSA-N 1 2 392.544 4.328 20 0 GIADLO C[C@H]1CCN(C(=O)c2ccccc2SCc2cscn2)C[C@@H]1n1cc[nH+]c1 ZINC000126145177 823799466 /nfs/dbraw/zinc/79/94/66/823799466.db2.gz SZKSXMNKOWEFJK-YJBOKZPZSA-N 1 2 398.557 4.355 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000191877885 823801603 /nfs/dbraw/zinc/80/16/03/823801603.db2.gz UTEDNHHLYQPSRJ-UHFFFAOYSA-N 1 2 382.512 4.320 20 0 GIADLO CC[NH+](CC)Cc1cccc(NC(=O)c2cn[nH]c2-c2ccc(OC)cc2)c1 ZINC000462028841 823802070 /nfs/dbraw/zinc/80/20/70/823802070.db2.gz GNWAQOLMKZGKRA-UHFFFAOYSA-N 1 2 378.476 4.179 20 0 GIADLO COc1cccc(C2([NH2+]Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC2)c1 ZINC000574706973 823804721 /nfs/dbraw/zinc/80/47/21/823804721.db2.gz OMLAJFOAINUQTB-UHFFFAOYSA-N 1 2 389.286 4.362 20 0 GIADLO CC[C@@H](NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000413642240 823808390 /nfs/dbraw/zinc/80/83/90/823808390.db2.gz PXECAMVRKSRWRJ-OAQYLSRUSA-N 1 2 380.536 4.481 20 0 GIADLO C[N@H+](Cc1sccc1Br)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000164567421 823808700 /nfs/dbraw/zinc/80/87/00/823808700.db2.gz KLMSMKZDQIFNIN-UHFFFAOYSA-N 1 2 379.323 4.035 20 0 GIADLO C[N@@H+](Cc1sccc1Br)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000164567421 823808706 /nfs/dbraw/zinc/80/87/06/823808706.db2.gz KLMSMKZDQIFNIN-UHFFFAOYSA-N 1 2 379.323 4.035 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccccc1OCC(F)F ZINC000191916265 823811070 /nfs/dbraw/zinc/81/10/70/823811070.db2.gz SSDBKFRFSYBSMO-UHFFFAOYSA-N 1 2 380.439 4.034 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)SCc1ccccc1 ZINC000126222973 823815642 /nfs/dbraw/zinc/81/56/42/823815642.db2.gz ISCOZIGCHADGDX-SFHVURJKSA-N 1 2 384.545 4.088 20 0 GIADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(OCc2cccs2)c1 ZINC000064433353 823818085 /nfs/dbraw/zinc/81/80/85/823818085.db2.gz OPSWXTZKOFXJDP-LJQANCHMSA-N 1 2 383.517 4.368 20 0 GIADLO Cc1noc(C)c1CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000164764281 823818551 /nfs/dbraw/zinc/81/85/51/823818551.db2.gz FLCNYIODQBBFBO-UHFFFAOYSA-N 1 2 389.805 4.077 20 0 GIADLO Cc1noc(C)c1CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000164764281 823818559 /nfs/dbraw/zinc/81/85/59/823818559.db2.gz FLCNYIODQBBFBO-UHFFFAOYSA-N 1 2 389.805 4.077 20 0 GIADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CSc1ccccc1Cl ZINC000126239881 823818783 /nfs/dbraw/zinc/81/87/83/823818783.db2.gz KWZNEWZUZHUIRG-UHFFFAOYSA-N 1 2 390.936 4.211 20 0 GIADLO CCCOc1c(Cl)cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OC ZINC000064440966 823819481 /nfs/dbraw/zinc/81/94/81/823819481.db2.gz BPGKCQYCSWKHPW-KRWDZBQOSA-N 1 2 393.915 4.179 20 0 GIADLO C[C@H](CC(=O)NCCCNc1cccc[nH+]1)c1ccc(F)c(Br)c1 ZINC000462078501 823821500 /nfs/dbraw/zinc/82/15/00/823821500.db2.gz YORRPRBOPPJBBW-CYBMUJFWSA-N 1 2 394.288 4.095 20 0 GIADLO C[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1cccc(Br)c1 ZINC000462081024 823822106 /nfs/dbraw/zinc/82/21/06/823822106.db2.gz PVLXOGIFHOGQRA-CQSZACIVSA-N 1 2 384.277 4.055 20 0 GIADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000413712082 823823688 /nfs/dbraw/zinc/82/36/88/823823688.db2.gz LFTKIOJXEKIWGL-YQVWRLOYSA-N 1 2 386.927 4.299 20 0 GIADLO CC[C@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)CC(F)(F)F ZINC000413725565 823825931 /nfs/dbraw/zinc/82/59/31/823825931.db2.gz FCKAZFGBQWANHZ-KGLIPLIRSA-N 1 2 377.476 4.115 20 0 GIADLO Cc1nc(-c2cccc(NC(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)c2)oc1C ZINC000164953991 823826795 /nfs/dbraw/zinc/82/67/95/823826795.db2.gz VHRLPYJDAUGPFQ-KRWDZBQOSA-N 1 2 393.491 4.179 20 0 GIADLO CC[C@H](CC1CCCCC1)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000413732847 823827603 /nfs/dbraw/zinc/82/76/03/823827603.db2.gz ZAQSIUGFISKICI-OAQYLSRUSA-N 1 2 399.579 4.286 20 0 GIADLO CC[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CC(F)(F)F ZINC000413735576 823827876 /nfs/dbraw/zinc/82/78/76/823827876.db2.gz IQQKYOJLHFKNQY-LSDHHAIUSA-N 1 2 386.462 4.087 20 0 GIADLO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000126322034 823839991 /nfs/dbraw/zinc/83/99/91/823839991.db2.gz MMZYKRTWYGTOTJ-HNNXBMFYSA-N 1 2 398.304 4.055 20 0 GIADLO Cc1ccccc1Cc1nnc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000192043901 823842626 /nfs/dbraw/zinc/84/26/26/823842626.db2.gz YWRWRCLFXVJQSK-RXVVDRJESA-N 1 2 383.879 4.242 20 0 GIADLO Cc1ccccc1Cc1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000192049850 823844513 /nfs/dbraw/zinc/84/45/13/823844513.db2.gz DVBPMHNSMOMXOR-GHTZIAJQSA-N 1 2 383.879 4.242 20 0 GIADLO Fc1ccc(-c2nc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)cc3)no2)c(F)c1 ZINC000192069614 823850136 /nfs/dbraw/zinc/85/01/36/823850136.db2.gz OVCILZSDCLJWHA-FUHWJXTLSA-N 1 2 391.805 4.288 20 0 GIADLO CCc1nc2cc(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)ccc2n1C1CC1 ZINC000574928867 823862547 /nfs/dbraw/zinc/86/25/47/823862547.db2.gz FBMIOYYDMTYIEC-UHFFFAOYSA-N 1 2 385.471 4.049 20 0 GIADLO C[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)Cc1cccs1 ZINC000462200914 823867383 /nfs/dbraw/zinc/86/73/83/823867383.db2.gz IDBLJKIRGSKCFR-CVEARBPZSA-N 1 2 377.579 4.077 20 0 GIADLO C[C@H](CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)c(Br)c1 ZINC000462201586 823867823 /nfs/dbraw/zinc/86/78/23/823867823.db2.gz UNFIDHIEIHFADW-GFCCVEGCSA-N 1 2 394.288 4.211 20 0 GIADLO C[C@H](CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)c(Br)c1 ZINC000462201586 823867831 /nfs/dbraw/zinc/86/78/31/823867831.db2.gz UNFIDHIEIHFADW-GFCCVEGCSA-N 1 2 394.288 4.211 20 0 GIADLO C[C@H]1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000126440911 823868326 /nfs/dbraw/zinc/86/83/26/823868326.db2.gz CJRNRHXGFJDSNS-HRAATJIYSA-N 1 2 386.455 4.415 20 0 GIADLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2csc(N(C(C)=O)c3ccccc3)n2)C1(C)C ZINC000166014291 823868532 /nfs/dbraw/zinc/86/85/32/823868532.db2.gz RTYYYLKPYVVOTP-MOPGFXCFSA-N 1 2 387.549 4.463 20 0 GIADLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2csc(N(C(C)=O)c3ccccc3)n2)C1(C)C ZINC000166014291 823868536 /nfs/dbraw/zinc/86/85/36/823868536.db2.gz RTYYYLKPYVVOTP-MOPGFXCFSA-N 1 2 387.549 4.463 20 0 GIADLO CCOC[C@@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)C1 ZINC000166253269 823873451 /nfs/dbraw/zinc/87/34/51/823873451.db2.gz MQVLACUPUMZPCT-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO CCOC[C@@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)C1 ZINC000166253269 823873454 /nfs/dbraw/zinc/87/34/54/823873454.db2.gz MQVLACUPUMZPCT-GOSISDBHSA-N 1 2 387.549 4.303 20 0 GIADLO COc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c(Cl)c(OC)c1 ZINC000413960500 823878237 /nfs/dbraw/zinc/87/82/37/823878237.db2.gz RUBZOCGJCZKNES-QGZVFWFLSA-N 1 2 383.275 4.252 20 0 GIADLO CN1C(=O)C[C@@H]([NH2+]Cc2ncc(-c3ccccc3)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000192150380 823881029 /nfs/dbraw/zinc/88/10/29/823881029.db2.gz OLTMSBZWCWIYME-UTKZUKDTSA-N 1 2 381.863 4.057 20 0 GIADLO Cc1cc(C(=O)C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c(C)n1CCC(C)C ZINC000462226768 823882146 /nfs/dbraw/zinc/88/21/46/823882146.db2.gz JTKDPYSNRJVKFJ-UHFFFAOYSA-N 1 2 398.551 4.474 20 0 GIADLO CN1C(=O)C[C@@H]([NH2+]Cc2ncc(-c3cccs3)o2)[C@H]1c1ccc(Cl)cc1 ZINC000192153938 823882535 /nfs/dbraw/zinc/88/25/35/823882535.db2.gz KNXVJJGHFZCKBK-AUUYWEPGSA-N 1 2 387.892 4.118 20 0 GIADLO CN1C(=O)C[C@H]([NH2+]Cc2ncc(-c3cccs3)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000192153958 823883032 /nfs/dbraw/zinc/88/30/32/823883032.db2.gz KNXVJJGHFZCKBK-LIRRHRJNSA-N 1 2 387.892 4.118 20 0 GIADLO Cc1sc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1-c1ccc(F)cc1 ZINC000414042179 823894382 /nfs/dbraw/zinc/89/43/82/823894382.db2.gz OELHOFXSPHOPDW-UHFFFAOYSA-N 1 2 390.524 4.045 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(COCc3ccccc3)c2)s1 ZINC000414059119 823897833 /nfs/dbraw/zinc/89/78/33/823897833.db2.gz IFSYSUPEXPQUFL-INIZCTEOSA-N 1 2 396.512 4.497 20 0 GIADLO COc1ccc([C@@H](C)[NH2+][C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)c(C)c1 ZINC000414059477 823897995 /nfs/dbraw/zinc/89/79/95/823897995.db2.gz IRCPSSMTVCWSDE-OPAMFIHVSA-N 1 2 395.503 4.195 20 0 GIADLO C[C@H](c1cccc(NC(=O)NCc2ccc(C(F)F)cc2)c1)[NH+]1CCOCC1 ZINC000462252837 823900176 /nfs/dbraw/zinc/90/01/76/823900176.db2.gz LFASAEQUZVFKCE-OAHLLOKOSA-N 1 2 389.446 4.339 20 0 GIADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC000462254035 823900628 /nfs/dbraw/zinc/90/06/28/823900628.db2.gz IUEHHCWJSLSECD-KRWDZBQOSA-N 1 2 384.549 4.259 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)s1 ZINC000414070036 823900729 /nfs/dbraw/zinc/90/07/29/823900729.db2.gz RYALVEQPVDPIJU-CHWSQXEVSA-N 1 2 378.494 4.137 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccccc2COCc2ccccc2)s1 ZINC000414072755 823901972 /nfs/dbraw/zinc/90/19/72/823901972.db2.gz VFGVJLPMHLBWOF-MRXNPFEDSA-N 1 2 396.512 4.497 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)s1 ZINC000414075614 823902398 /nfs/dbraw/zinc/90/23/98/823902398.db2.gz PEQPKYYPVKYFBK-LSDHHAIUSA-N 1 2 397.500 4.316 20 0 GIADLO Cc1cccc(-c2noc(C[NH+]3CCC(Oc4cncc(Cl)c4)CC3)n2)c1 ZINC000575069307 823903727 /nfs/dbraw/zinc/90/37/27/823903727.db2.gz VEONUZPNDIEZHU-UHFFFAOYSA-N 1 2 384.867 4.137 20 0 GIADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1c2ccccc2CCC[C@@H]1C ZINC000462284810 823912304 /nfs/dbraw/zinc/91/23/04/823912304.db2.gz CTAKZYGWAJVGJB-KSFYIVLOSA-N 1 2 394.519 4.062 20 0 GIADLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)s1 ZINC000414116082 823913016 /nfs/dbraw/zinc/91/30/16/823913016.db2.gz QCPDDTSEODOPFC-RYUDHWBXSA-N 1 2 378.469 4.269 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C(C)C)n(-c2ccccc2)n1 ZINC000192245847 823914986 /nfs/dbraw/zinc/91/49/86/823914986.db2.gz HDYIUODZZHQPEW-UHFFFAOYSA-N 1 2 393.535 4.307 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000192249232 823916495 /nfs/dbraw/zinc/91/64/95/823916495.db2.gz HVCAZLJSXSAONS-UHFFFAOYSA-N 1 2 386.883 4.306 20 0 GIADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000575118345 823916643 /nfs/dbraw/zinc/91/66/43/823916643.db2.gz RUSQNPRMEUMAGU-FXAWDEMLSA-N 1 2 381.426 4.404 20 0 GIADLO C[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1csc(-c2ccccc2)n1 ZINC000414138381 823917770 /nfs/dbraw/zinc/91/77/70/823917770.db2.gz GUFCXCXGDYPEGG-SJORKVTESA-N 1 2 395.528 4.471 20 0 GIADLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc3cc(Br)ccc3[nH]2)s1 ZINC000414145427 823918277 /nfs/dbraw/zinc/91/82/77/823918277.db2.gz UMWORBOKKRDNAJ-SECBINFHSA-N 1 2 394.294 4.024 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Br)cc1C ZINC000192255246 823918587 /nfs/dbraw/zinc/91/85/87/823918587.db2.gz YJKLMDJAMXCMEH-UHFFFAOYSA-N 1 2 378.314 4.069 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Cc1c(C)nc2ccccc2c1C ZINC000192255484 823918647 /nfs/dbraw/zinc/91/86/47/823918647.db2.gz NOLFCLPOUOPGNR-UHFFFAOYSA-N 1 2 378.520 4.092 20 0 GIADLO Cc1ccc(C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)cc1S(C)(=O)=O ZINC000414150144 823918736 /nfs/dbraw/zinc/91/87/36/823918736.db2.gz PDQJRVSZPPZFMA-HNNXBMFYSA-N 1 2 386.542 4.373 20 0 GIADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000462308179 823919427 /nfs/dbraw/zinc/91/94/27/823919427.db2.gz ISIBBFPUQLRZFP-CQSZACIVSA-N 1 2 397.466 4.355 20 0 GIADLO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1Br)c1ccn(C)n1 ZINC000414179683 823923668 /nfs/dbraw/zinc/92/36/68/823923668.db2.gz LNAQOAZPZUGQCA-UWVGGRQHSA-N 1 2 387.119 4.357 20 0 GIADLO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000126671349 823923920 /nfs/dbraw/zinc/92/39/20/823923920.db2.gz JYMQILLMNFKMDV-INIZCTEOSA-N 1 2 399.564 4.476 20 0 GIADLO O=C(NCCNc1cccc[nH+]1)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000065044661 823929712 /nfs/dbraw/zinc/92/97/12/823929712.db2.gz CSSHIWLBIFLOGS-UHFFFAOYSA-N 1 2 386.430 4.278 20 0 GIADLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc4ncccc4c3)c2C1 ZINC000462353893 823937739 /nfs/dbraw/zinc/93/77/39/823937739.db2.gz SANYQSBMHYVMTP-MRXNPFEDSA-N 1 2 395.528 4.396 20 0 GIADLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc4ncccc4c3)c2C1 ZINC000462353893 823937750 /nfs/dbraw/zinc/93/77/50/823937750.db2.gz SANYQSBMHYVMTP-MRXNPFEDSA-N 1 2 395.528 4.396 20 0 GIADLO C[NH+](C)Cc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1 ZINC000065106450 823944369 /nfs/dbraw/zinc/94/43/69/823944369.db2.gz WATKEOLNVIWHIU-UHFFFAOYSA-N 1 2 399.292 4.153 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000192316935 823944623 /nfs/dbraw/zinc/94/46/23/823944623.db2.gz VQRJHGJOYKHWJN-GOSISDBHSA-N 1 2 386.540 4.482 20 0 GIADLO CC(C)(C)C[C@@H]([NH2+]Cc1nc2ncccn2n1)c1ccc(Br)cc1 ZINC000414261440 823944889 /nfs/dbraw/zinc/94/48/89/823944889.db2.gz BUROXGZWBDOKPR-OAHLLOKOSA-N 1 2 388.313 4.154 20 0 GIADLO Cc1ccc([C@H](NCc2c[nH+]c(N(C)C)n2C)c2ccc(F)cc2Cl)cc1 ZINC000414330790 823959744 /nfs/dbraw/zinc/95/97/44/823959744.db2.gz FAOYIMNDGIOHGI-FQEVSTJZSA-N 1 2 386.902 4.466 20 0 GIADLO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(C3CC3)s1)CCCO2 ZINC000414333950 823960198 /nfs/dbraw/zinc/96/01/98/823960198.db2.gz WVCKIDGKGQNXKV-ZDUSSCGKSA-N 1 2 380.311 4.182 20 0 GIADLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000414335804 823960353 /nfs/dbraw/zinc/96/03/53/823960353.db2.gz YQCZCRHVICFAOS-BBRMVZONSA-N 1 2 391.512 4.353 20 0 GIADLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000192382740 823966739 /nfs/dbraw/zinc/96/67/39/823966739.db2.gz VYDOREMASXHOOM-IBGZPJMESA-N 1 2 397.548 4.113 20 0 GIADLO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Br)s3)CC2)c(C)o1 ZINC000170775515 823967561 /nfs/dbraw/zinc/96/75/61/823967561.db2.gz AIWATDYTSMJUEG-UHFFFAOYSA-N 1 2 397.338 4.115 20 0 GIADLO Cc1cc(C(=O)NC2CC[NH+](Cc3csc(C(C)(C)C)n3)CC2)c(C)o1 ZINC000170775735 823967999 /nfs/dbraw/zinc/96/79/99/823967999.db2.gz MCHXKJMWJPSMET-UHFFFAOYSA-N 1 2 375.538 4.045 20 0 GIADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(Cl)nc(Cl)c2)C[C@H](C)O1 ZINC000126919108 823980952 /nfs/dbraw/zinc/98/09/52/823980952.db2.gz BDYYDAVVIYZPOH-STQMWFEESA-N 1 2 394.302 4.250 20 0 GIADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc3ncccc32)C[C@H](C)O1 ZINC000126941000 823985830 /nfs/dbraw/zinc/98/58/30/823985830.db2.gz ZUFNGOIURSERFF-CALCHBBNSA-N 1 2 375.472 4.096 20 0 GIADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc3ncccc32)C[C@H](C)O1 ZINC000126941000 823985837 /nfs/dbraw/zinc/98/58/37/823985837.db2.gz ZUFNGOIURSERFF-CALCHBBNSA-N 1 2 375.472 4.096 20 0 GIADLO Fc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(I)c1 ZINC000575780150 823992925 /nfs/dbraw/zinc/99/29/25/823992925.db2.gz CJMOIXCZDDOZGQ-INIZCTEOSA-N 1 2 382.220 4.162 20 0 GIADLO Fc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c(I)c1 ZINC000575780150 823992931 /nfs/dbraw/zinc/99/29/31/823992931.db2.gz CJMOIXCZDDOZGQ-INIZCTEOSA-N 1 2 382.220 4.162 20 0 GIADLO Cc1ccnc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000575784251 823994049 /nfs/dbraw/zinc/99/40/49/823994049.db2.gz KDNYRDODRMEESK-HTAPYJJXSA-N 1 2 380.513 4.234 20 0 GIADLO COc1cccc2c1CC[C@H]([NH2+][C@@H](c1noc(C)n1)c1ccc(Cl)cc1)C2 ZINC000192446988 823995736 /nfs/dbraw/zinc/99/57/36/823995736.db2.gz LXEQCGDZIIGLCD-FXAWDEMLSA-N 1 2 383.879 4.277 20 0 GIADLO CCOc1ccc(C(C)=O)cc1C[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000170872956 823996275 /nfs/dbraw/zinc/99/62/75/823996275.db2.gz YPXFUJSDZQOKDG-UHFFFAOYSA-N 1 2 382.504 4.012 20 0 GIADLO CCOc1ccc(C(C)=O)cc1C[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000170872956 823996279 /nfs/dbraw/zinc/99/62/79/823996279.db2.gz YPXFUJSDZQOKDG-UHFFFAOYSA-N 1 2 382.504 4.012 20 0 GIADLO CC(C)[N@@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1cccc2ccccc21 ZINC000170930956 824007878 /nfs/dbraw/zinc/00/78/78/824007878.db2.gz ZEZVUXZUCYBUKL-QGZVFWFLSA-N 1 2 389.446 4.082 20 0 GIADLO CC(C)[N@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1cccc2ccccc21 ZINC000170930956 824007882 /nfs/dbraw/zinc/00/78/82/824007882.db2.gz ZEZVUXZUCYBUKL-QGZVFWFLSA-N 1 2 389.446 4.082 20 0 GIADLO CC[N@H+](CC(=O)NCc1cc(-c2ccccc2)no1)Cc1ccccc1Cl ZINC000575851710 824012242 /nfs/dbraw/zinc/01/22/42/824012242.db2.gz NSTUFYYHVVVBRC-UHFFFAOYSA-N 1 2 383.879 4.133 20 0 GIADLO CC[N@@H+](CC(=O)NCc1cc(-c2ccccc2)no1)Cc1ccccc1Cl ZINC000575851710 824012249 /nfs/dbraw/zinc/01/22/49/824012249.db2.gz NSTUFYYHVVVBRC-UHFFFAOYSA-N 1 2 383.879 4.133 20 0 GIADLO COCc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000192503402 824012945 /nfs/dbraw/zinc/01/29/45/824012945.db2.gz NQEXWVMHEYIBKT-SFTDATJTSA-N 1 2 376.460 4.080 20 0 GIADLO COc1cc2c(cc1Cl)CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)CC2 ZINC000575863619 824015553 /nfs/dbraw/zinc/01/55/53/824015553.db2.gz XJWCIVIAXGQDDI-SFHVURJKSA-N 1 2 395.890 4.179 20 0 GIADLO Cc1nc([C@H](C)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)no1 ZINC000575909631 824026901 /nfs/dbraw/zinc/02/69/01/824026901.db2.gz MTLCQNNZLOKKEZ-HRAATJIYSA-N 1 2 396.922 4.500 20 0 GIADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2csc(Cc3ccc(F)cc3)n2)c1C ZINC000171029957 824042936 /nfs/dbraw/zinc/04/29/36/824042936.db2.gz HAGZQZUZNFGWSC-UHFFFAOYSA-N 1 2 399.491 4.166 20 0 GIADLO Cc1cc(C)c(CNC(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)c[nH+]1 ZINC000575998743 824047226 /nfs/dbraw/zinc/04/72/26/824047226.db2.gz LRUSCLMFIDBRBY-UHFFFAOYSA-N 1 2 398.894 4.026 20 0 GIADLO OC[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Br)c1cccc(F)c1 ZINC000576032502 824054311 /nfs/dbraw/zinc/05/43/11/824054311.db2.gz PTYAPCSSBQRFFW-OAHLLOKOSA-N 1 2 392.190 4.430 20 0 GIADLO O=C1C[C@H](c2ccccc2)N1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000171067255 824054803 /nfs/dbraw/zinc/05/48/03/824054803.db2.gz RDVKWJMXBWWUGE-HSZRJFAPSA-N 1 2 389.474 4.197 20 0 GIADLO O=C1C[C@H](c2ccccc2)N1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000171067255 824054809 /nfs/dbraw/zinc/05/48/09/824054809.db2.gz RDVKWJMXBWWUGE-HSZRJFAPSA-N 1 2 389.474 4.197 20 0 GIADLO C(C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1)OC1CCCCCC1 ZINC000583194239 570770361 /nfs/dbraw/zinc/77/03/61/570770361.db2.gz FUQOYVRBSYNMOI-LJQANCHMSA-N 1 2 377.529 4.230 20 0 GIADLO C(C[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1)OC1CCCCCC1 ZINC000583194239 570770366 /nfs/dbraw/zinc/77/03/66/570770366.db2.gz FUQOYVRBSYNMOI-LJQANCHMSA-N 1 2 377.529 4.230 20 0 GIADLO