smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccc(C2=CC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000000756600 570455268 /nfs/dbraw/zinc/45/52/68/570455268.db2.gz GGSUBEWMXXHWET-UHFFFAOYSA-N 1 1 367.851 6.028 50 0 FKAAMO C[C@H](Cc1cccc(C(F)(F)F)c1)[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000000756605 570455416 /nfs/dbraw/zinc/45/54/16/570455416.db2.gz KWQTXMAIRPMWQC-CQSZACIVSA-N 1 1 358.407 5.176 50 0 FKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCC2)cc1 ZINC000000756780 210269198 /nfs/dbraw/zinc/26/91/98/210269198.db2.gz CERUEMSQDBWHLE-UHFFFAOYSA-N 1 1 374.875 5.341 50 0 FKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCC2)c1 ZINC000000756783 219319306 /nfs/dbraw/zinc/31/93/06/219319306.db2.gz SENZMBQKIJMWGH-UHFFFAOYSA-N 1 1 374.875 5.341 50 0 FKAAMO Brc1ccc2[nH+]c(-c3ccccc3)c(NC3CCCCC3)n2c1 ZINC000000904200 210288077 /nfs/dbraw/zinc/28/80/77/210288077.db2.gz QOMDJRDJXNOILO-UHFFFAOYSA-N 1 1 370.294 5.508 50 0 FKAAMO Cc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC(C)(C)C)cc1 ZINC000000904203 210288731 /nfs/dbraw/zinc/28/87/31/210288731.db2.gz GIENQPHLCYCVBC-UHFFFAOYSA-N 1 1 358.283 5.283 50 0 FKAAMO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc(C)[nH+]1)c1ccc(Cl)cc1 ZINC000000941418 219343721 /nfs/dbraw/zinc/34/37/21/219343721.db2.gz JZBLQUIOBAZQEG-QFIPXVFZSA-N 1 1 361.876 6.035 50 0 FKAAMO Cc1[nH]c2ccccc2c1[C@H](Nc1cccc(C)[nH+]1)c1ccc(Cl)cc1 ZINC000000941419 219343970 /nfs/dbraw/zinc/34/39/70/219343970.db2.gz JZBLQUIOBAZQEG-JOCHJYFZSA-N 1 1 361.876 6.035 50 0 FKAAMO COc1ccc2c(c1)NC(C)(C)c1ss/c(=[NH+]\Cc3ccccc3)c1-2 ZINC000000994696 206145642 /nfs/dbraw/zinc/14/56/42/206145642.db2.gz MGULHXGPXNLPSV-VZCXRCSSSA-N 1 1 368.527 5.247 50 0 FKAAMO CC(C)(C)[N@H+]1C[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000001023955 571159877 /nfs/dbraw/zinc/15/98/77/571159877.db2.gz XMFSKUXGHWGRAM-DNQXCXABSA-N 1 1 369.508 6.008 50 0 FKAAMO c1coc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000001109594 219370077 /nfs/dbraw/zinc/37/00/77/219370077.db2.gz QYVYLKDVNFLGQI-UHFFFAOYSA-N 1 1 366.424 5.293 50 0 FKAAMO C[N@@H+](Cc1cccc(Oc2ccccc2)c1)Cc1cccc2ccccc21 ZINC000001225338 570495280 /nfs/dbraw/zinc/49/52/80/570495280.db2.gz LDUMPXXQKCCYJL-UHFFFAOYSA-N 1 1 353.465 6.264 50 0 FKAAMO COc1ccc(CC2=[NH+]C(C)(C)Cc3c4ccccc4ccc32)cc1OC ZINC000001259071 210339638 /nfs/dbraw/zinc/33/96/38/210339638.db2.gz UDMZGKGIXHYACA-UHFFFAOYSA-N 1 1 359.469 5.224 50 0 FKAAMO COc1ccccc1[C@H](Nc1cccc(C)[nH+]1)c1c(C)[nH]c2ccccc21 ZINC000001281091 571046367 /nfs/dbraw/zinc/04/63/67/571046367.db2.gz JSDTZFUVHPRMHN-QHCPKHFHSA-N 1 1 357.457 5.390 50 0 FKAAMO COc1ccccc1[C@@H](Nc1cccc(C)[nH+]1)c1c(C)[nH]c2ccccc21 ZINC000001281092 571046191 /nfs/dbraw/zinc/04/61/91/571046191.db2.gz JSDTZFUVHPRMHN-HSZRJFAPSA-N 1 1 357.457 5.390 50 0 FKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCC2)cc1 ZINC000001447522 132382054 /nfs/dbraw/zinc/38/20/54/132382054.db2.gz XSOXFRJAYPAVRS-UHFFFAOYSA-N 1 1 372.447 5.217 50 0 FKAAMO CCN(CC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000001447528 570500539 /nfs/dbraw/zinc/50/05/39/570500539.db2.gz JXJPPZYFBULULT-UHFFFAOYSA-N 1 1 360.436 5.073 50 0 FKAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2N2CCCCC2)n1-c1ccccc1 ZINC000001447537 132382046 /nfs/dbraw/zinc/38/20/46/132382046.db2.gz VYCJKCXDVGKDGV-UHFFFAOYSA-N 1 1 354.457 5.078 50 0 FKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCC(C)C)cc1 ZINC000001447578 570500706 /nfs/dbraw/zinc/50/07/06/570500706.db2.gz NAVXSBOAKSEHJL-UHFFFAOYSA-N 1 1 356.473 5.464 50 0 FKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCC2)cc1 ZINC000001447670 570500590 /nfs/dbraw/zinc/50/05/90/570500590.db2.gz ZETWKNRKRGQCRT-UHFFFAOYSA-N 1 1 372.447 5.581 50 0 FKAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2NC2CCCCC2)n1-c1ccccc1 ZINC000001447673 204008047 /nfs/dbraw/zinc/00/80/47/204008047.db2.gz DEXDDKOHIYBOOP-UHFFFAOYSA-N 1 1 368.484 5.832 50 0 FKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCC2)c1 ZINC000001447697 132382011 /nfs/dbraw/zinc/38/20/11/132382011.db2.gz UCZZFKONPCZAIE-UHFFFAOYSA-N 1 1 368.484 5.386 50 0 FKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCC(C)C)c1 ZINC000001447700 210355214 /nfs/dbraw/zinc/35/52/14/210355214.db2.gz SPSMQBXDXJSKIS-UHFFFAOYSA-N 1 1 356.473 5.464 50 0 FKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC(C)C)cc1 ZINC000001447732 571112992 /nfs/dbraw/zinc/11/29/92/571112992.db2.gz MOHOPMSFEJTUGK-UHFFFAOYSA-N 1 1 372.472 5.307 50 0 FKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCC2)cc1 ZINC000001454781 132382156 /nfs/dbraw/zinc/38/21/56/132382156.db2.gz SFDYKCSPUBNYFR-UHFFFAOYSA-N 1 1 368.484 5.386 50 0 FKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCC(C)C)cc1 ZINC000001455565 210355257 /nfs/dbraw/zinc/35/52/57/210355257.db2.gz ATZIWVFNKJMUOP-UHFFFAOYSA-N 1 1 372.472 5.164 50 0 FKAAMO CSc1ccc2c(c1)N(CC[C@@H]1CCCC[N@H+]1C)c1ccccc1S2 ZINC000001530695 132382104 /nfs/dbraw/zinc/38/21/04/132382104.db2.gz KLBQZWRITKRQQV-INIZCTEOSA-N 1 1 370.587 5.886 50 0 fda FKAAMO CSc1ccc2c(c1)N(CC[C@H]1CCCC[N@H+]1C)c1ccccc1S2 ZINC000001530697 132382205 /nfs/dbraw/zinc/38/22/05/132382205.db2.gz KLBQZWRITKRQQV-MRXNPFEDSA-N 1 1 370.587 5.886 50 0 fda FKAAMO CCC[C@@]1(CN2c3ccccc3Sc3ccccc32)CC[N@@H+](CC)C1 ZINC000001726494 132382438 /nfs/dbraw/zinc/38/24/38/132382438.db2.gz HVDVITZBAJESBC-JOCHJYFZSA-N 1 1 352.547 5.801 50 0 FKAAMO C[N@@H+](CCc1c[nH]c2ccc(OCc3ccccc3)cc12)Cc1ccccc1 ZINC000002037694 570512024 /nfs/dbraw/zinc/51/20/24/570512024.db2.gz YYZWLIHUCDJTCJ-UHFFFAOYSA-N 1 1 370.496 5.421 50 0 FKAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H]1C(O)(C1CCCCC1)C1CCCCC1 ZINC000002077675 204026171 /nfs/dbraw/zinc/02/61/71/204026171.db2.gz CKNQGYBCGDCJJQ-CVDCTZTESA-N 1 1 355.566 5.714 50 0 FKAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1C(O)(C1CCCCC1)C1CCCCC1 ZINC000002077677 570513886 /nfs/dbraw/zinc/51/38/86/570513886.db2.gz CKNQGYBCGDCJJQ-WMZHIEFXSA-N 1 1 355.566 5.714 50 0 FKAAMO Cc1c2nc3ccccc3nc2n([N@H+](C)c2ccccc2)c1-c1ccccc1 ZINC000002077874 570513697 /nfs/dbraw/zinc/51/36/97/570513697.db2.gz DAJPYTBZKHTXJC-UHFFFAOYSA-N 1 1 364.452 5.459 50 0 FKAAMO CCC[C@@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CC[N@H+]2C1 ZINC000002107672 209394527 /nfs/dbraw/zinc/39/45/27/209394527.db2.gz IESPCFYHXLJIEM-IBVKSMDESA-N 1 1 372.556 5.973 50 0 FKAAMO CCC[C@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CC[N@H+]2C1 ZINC000002111880 206152973 /nfs/dbraw/zinc/15/29/73/206152973.db2.gz IESPCFYHXLJIEM-FNZWTVRRSA-N 1 1 372.556 5.973 50 0 FKAAMO CCC[C@]1(CN2c3ccccc3Sc3ccccc32)CC[N@@H+](CC)C1 ZINC000002168118 132382683 /nfs/dbraw/zinc/38/26/83/132382683.db2.gz HVDVITZBAJESBC-QFIPXVFZSA-N 1 1 352.547 5.801 50 0 FKAAMO Clc1ccc2c(c1)C[C@H](NCCC[NH+]1CCCC1)c1ccccc1S2 ZINC000002193142 204029096 /nfs/dbraw/zinc/02/90/96/204029096.db2.gz AUABFJWMUPUBNY-IBGZPJMESA-N 1 1 372.965 5.164 50 0 FKAAMO Clc1ccc2c(c1)C[C@@H](NCCC[NH+]1CCCC1)c1ccccc1S2 ZINC000002193143 570516564 /nfs/dbraw/zinc/51/65/64/570516564.db2.gz AUABFJWMUPUBNY-LJQANCHMSA-N 1 1 372.965 5.164 50 0 FKAAMO CC[N@@H+](CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000002265939 571293937 /nfs/dbraw/zinc/29/39/37/571293937.db2.gz YQZJWOZCQJLDGZ-ZEQRLZLVSA-N 1 1 365.561 5.888 50 0 FKAAMO c1ccc([C@@H]2C3=C(c4ccccc4CC3)[N@@H+]3CCO[C@@]34CCCC[C@@H]24)cc1 ZINC000002335467 571318177 /nfs/dbraw/zinc/31/81/77/571318177.db2.gz CKZZOIDHUAISOG-JBRSBNLGSA-N 1 1 357.497 5.360 50 0 FKAAMO Nc1[nH+]cnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCC1 ZINC000002541690 560187597 /nfs/dbraw/zinc/18/75/97/560187597.db2.gz FMETVQKSDIOGPX-UHFFFAOYSA-N 1 1 370.456 5.588 50 0 aggregator,in-vitro FKAAMO CC1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000002714053 132383982 /nfs/dbraw/zinc/38/39/82/132383982.db2.gz HKIRVDBMESDMCQ-UHFFFAOYSA-N 1 1 368.484 5.324 50 0 FKAAMO C[C@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC000002714069 132383921 /nfs/dbraw/zinc/38/39/21/132383921.db2.gz GVXOTDVIGCWGGU-SFHVURJKSA-N 1 1 368.484 5.324 50 0 FKAAMO C[C@@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC000002714072 132383977 /nfs/dbraw/zinc/38/39/77/132383977.db2.gz GVXOTDVIGCWGGU-GOSISDBHSA-N 1 1 368.484 5.324 50 0 FKAAMO CCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000002714261 204052512 /nfs/dbraw/zinc/05/25/12/204052512.db2.gz XTPGGAYSQSYXRK-UHFFFAOYSA-N 1 1 356.473 5.608 50 0 FKAAMO CCN(CC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000002714912 570667879 /nfs/dbraw/zinc/66/78/79/570667879.db2.gz BNKKFFVZEYBFAG-UHFFFAOYSA-N 1 1 356.473 5.242 50 0 FKAAMO CCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000002714979 570668054 /nfs/dbraw/zinc/66/80/54/570668054.db2.gz OIJBCWJTTJGLNC-UHFFFAOYSA-N 1 1 356.473 5.608 50 0 FKAAMO CC(C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002715121 571340474 /nfs/dbraw/zinc/34/04/74/571340474.db2.gz NUMIDBANYLUVIS-UHFFFAOYSA-N 1 1 362.864 5.561 50 0 FKAAMO CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002715144 570667930 /nfs/dbraw/zinc/66/79/30/570667930.db2.gz MXBFCXXEDKWVLL-UHFFFAOYSA-N 1 1 362.864 5.563 50 0 FKAAMO CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 ZINC000002715228 571340504 /nfs/dbraw/zinc/34/05/04/571340504.db2.gz WROAFLSTZVACCL-UHFFFAOYSA-N 1 1 372.472 5.308 50 0 FKAAMO CC(C)(C)c1cc(C[N@H+]2CCc3ccccc3C2)cc(C(C)(C)C)c1O ZINC000002811103 204060001 /nfs/dbraw/zinc/06/00/01/204060001.db2.gz AWNSYDNIYDCHHU-UHFFFAOYSA-N 1 1 351.534 5.546 50 0 FKAAMO Cc1ccc(OCCCC[N@H+](C)Cc2ccccc2)c(Br)c1 ZINC000002823124 209397190 /nfs/dbraw/zinc/39/71/90/209397190.db2.gz AEWAFEBQAPEWDL-UHFFFAOYSA-N 1 1 362.311 5.049 50 0 FKAAMO Cc1cc(Cl)c(OCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(Br)c1 ZINC000002824829 206157585 /nfs/dbraw/zinc/15/75/85/206157585.db2.gz YAEDUFNYVDYWSJ-OKILXGFUSA-N 1 1 374.750 5.158 50 0 FKAAMO Clc1ccc(Oc2cccc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)c2)cc1 ZINC000002893845 263327848 /nfs/dbraw/zinc/32/78/48/263327848.db2.gz RYCRTNPTJUFFBR-XMSQKQJNSA-N 1 1 355.909 6.287 50 0 FKAAMO CC[C@H]1CCCC[N@H+]1Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000002928700 570544555 /nfs/dbraw/zinc/54/45/55/570544555.db2.gz AIVPFDKPVKMYBI-FQEVSTJZSA-N 1 1 363.501 6.181 50 0 FKAAMO CC[C@@H]1CCCC[N@H+]1Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000002928703 570544384 /nfs/dbraw/zinc/54/43/84/570544384.db2.gz AIVPFDKPVKMYBI-HXUWFJFHSA-N 1 1 363.501 6.181 50 0 FKAAMO CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002974671 571343096 /nfs/dbraw/zinc/34/30/96/571343096.db2.gz XRESNYBUBQTMRW-UHFFFAOYSA-N 1 1 362.864 5.563 50 0 FKAAMO CC(C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002974672 571343114 /nfs/dbraw/zinc/34/31/14/571343114.db2.gz ADGUIBGLAZRXTG-UHFFFAOYSA-N 1 1 362.864 5.561 50 0 FKAAMO CCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000002974685 204072072 /nfs/dbraw/zinc/07/20/72/204072072.db2.gz DRHYDVSSQDCEFW-UHFFFAOYSA-N 1 1 372.472 5.308 50 0 FKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCC2)c1 ZINC000002974717 571293479 /nfs/dbraw/zinc/29/34/79/571293479.db2.gz SPVPQGYVEBDNHJ-UHFFFAOYSA-N 1 1 368.484 5.750 50 0 FKAAMO CCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002974763 571343098 /nfs/dbraw/zinc/34/30/98/571343098.db2.gz RQZPXUDHQIHDGL-UHFFFAOYSA-N 1 1 360.436 5.439 50 0 FKAAMO CC(C)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002974764 571343118 /nfs/dbraw/zinc/34/31/18/571343118.db2.gz JOAIMYMGTVZTAK-UHFFFAOYSA-N 1 1 360.436 5.295 50 0 FKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCC2)cc1 ZINC000002974778 571343160 /nfs/dbraw/zinc/34/31/60/571343160.db2.gz VODVBSGOAZSFFA-UHFFFAOYSA-N 1 1 368.484 5.750 50 0 FKAAMO CCCN(CCC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002974824 571343130 /nfs/dbraw/zinc/34/31/30/571343130.db2.gz LQSKHOJPBASEEQ-UHFFFAOYSA-N 1 1 370.500 5.714 50 0 FKAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2N2CCCCCC2)n1-c1ccccc1 ZINC000002974826 571343128 /nfs/dbraw/zinc/34/31/28/571343128.db2.gz FUNIYCDTKMICAT-UHFFFAOYSA-N 1 1 368.484 5.468 50 0 FKAAMO CCN(CC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000002974881 204071409 /nfs/dbraw/zinc/07/14/09/204071409.db2.gz IULHYCWJZDIYAL-UHFFFAOYSA-N 1 1 356.473 5.242 50 0 FKAAMO Cc1ccc(C)c(NC(=S)NCC[N@@H+](C2CCCC2)C2CCCCC2)c1 ZINC000003054565 571344343 /nfs/dbraw/zinc/34/43/43/571344343.db2.gz IKSNBLHWXFXEOA-UHFFFAOYSA-N 1 1 373.610 5.167 50 0 FKAAMO Cc1cc(C)cc(NC(=S)NCC[N@@H+](C2CCCC2)C2CCCCC2)c1 ZINC000003055019 571344345 /nfs/dbraw/zinc/34/43/45/571344345.db2.gz QFMLSARVKDKZLE-UHFFFAOYSA-N 1 1 373.610 5.167 50 0 FKAAMO Cc1ccc(NC(=S)NCC[N@@H+](C2CCCC2)C2CCCCC2)cc1C ZINC000003055023 571344358 /nfs/dbraw/zinc/34/43/58/571344358.db2.gz LQKHIQAPCZVYRQ-UHFFFAOYSA-N 1 1 373.610 5.167 50 0 FKAAMO Cc1cccc(C)c1NC(=S)NCC[N@@H+](C1CCCC1)C1CCCCC1 ZINC000003055025 204076423 /nfs/dbraw/zinc/07/64/23/204076423.db2.gz RDMIAGBFRRQQMT-UHFFFAOYSA-N 1 1 373.610 5.167 50 0 FKAAMO Cc1cc(C)c(NC(=S)N2CCC([N@@H+](C)C3CCCCC3)CC2)c(C)c1 ZINC000003058481 571344386 /nfs/dbraw/zinc/34/43/86/571344386.db2.gz DWDIPWJGFWVMNH-UHFFFAOYSA-N 1 1 373.610 5.038 50 0 FKAAMO Cc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCCCC3)CC2)c(C)c1 ZINC000003060994 571344486 /nfs/dbraw/zinc/34/44/86/571344486.db2.gz QQHKVHYPMUXCCT-UHFFFAOYSA-N 1 1 373.610 5.119 50 0 FKAAMO Cc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCCCC3)CC2)cc1C ZINC000003061000 204076858 /nfs/dbraw/zinc/07/68/58/204076858.db2.gz OWBGZZMUPFXPFG-UHFFFAOYSA-N 1 1 373.610 5.119 50 0 FKAAMO Cc1cccc(NC(=S)N2CCC([N@H+](C)C3CCCCCC3)CC2)c1C ZINC000003061004 204077563 /nfs/dbraw/zinc/07/75/63/204077563.db2.gz SHINPGAXVXKLRT-UHFFFAOYSA-N 1 1 373.610 5.119 50 0 FKAAMO CCc1ccccc1NC(=S)N1CCC([N@@H+](C)C2CCCCCC2)CC1 ZINC000003061014 571344471 /nfs/dbraw/zinc/34/44/71/571344471.db2.gz JOXOAWPXIGKQLC-UHFFFAOYSA-N 1 1 373.610 5.065 50 0 FKAAMO Cc1cc(C)cc(NC(=S)N2CCC([N@H+](C)C3CCCCCC3)CC2)c1 ZINC000003061032 571344455 /nfs/dbraw/zinc/34/44/55/571344455.db2.gz ZHHXZFYWELLOSP-UHFFFAOYSA-N 1 1 373.610 5.119 50 0 FKAAMO Cc1cccc(C)c1NC(=S)N1CCC([N@H+](C)C2CCCCCC2)CC1 ZINC000003061036 571344475 /nfs/dbraw/zinc/34/44/75/571344475.db2.gz IREBJKHVRKSYAG-UHFFFAOYSA-N 1 1 373.610 5.119 50 0 FKAAMO O=C(Nc1ccccc1)C1=C([NH+]2CCCCC2)/C(=C/c2ccccc2)CC1 ZINC000003196258 206232208 /nfs/dbraw/zinc/23/22/08/206232208.db2.gz 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COc1cccc([C@H](C)[N@@H+](C)Cc2nc(-c3ccc(Cl)cc3)oc2C)c1 ZINC000012373357 207367434 /nfs/dbraw/zinc/36/74/34/207367434.db2.gz BTDCHVJUIHPVKI-AWEZNQCLSA-N 1 1 370.880 5.505 50 0 FKAAMO COc1cccc([C@H](C)[N@H+](C)Cc2nc(-c3ccc(Cl)cc3)oc2C)c1 ZINC000012373357 207367428 /nfs/dbraw/zinc/36/74/28/207367428.db2.gz BTDCHVJUIHPVKI-AWEZNQCLSA-N 1 1 370.880 5.505 50 0 FKAAMO Cn1c2ccccc2[nH+]c1NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000012381548 571318730 /nfs/dbraw/zinc/31/87/30/571318730.db2.gz OAXRFUOWFHZWRR-UHFFFAOYSA-N 1 1 365.521 5.486 50 0 FKAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)c1 ZINC000012385682 570741352 /nfs/dbraw/zinc/74/13/52/570741352.db2.gz ZPOJAJDNXPYZCB-JOCHJYFZSA-N 1 1 371.480 5.137 50 0 FKAAMO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)c1 ZINC000012385682 570741351 /nfs/dbraw/zinc/74/13/51/570741351.db2.gz ZPOJAJDNXPYZCB-JOCHJYFZSA-N 1 1 371.480 5.137 50 0 FKAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)c3cccc4ccccc43)C2)c1 ZINC000012385683 207367674 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COc1ccccc1[C@H]1CCC[N@H+]1Cc1nc(-c2ccccc2C)oc1C ZINC000012431205 570744211 /nfs/dbraw/zinc/74/42/11/570744211.db2.gz NUXRTNHGMSWESH-OAQYLSRUSA-N 1 1 362.473 5.304 50 0 FKAAMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2C)oc1C ZINC000012431205 570744206 /nfs/dbraw/zinc/74/42/06/570744206.db2.gz NUXRTNHGMSWESH-OAQYLSRUSA-N 1 1 362.473 5.304 50 0 FKAAMO COc1ccc([C@@H](C)[N@@H+](C)Cc2nc(-c3ccc(Cl)cc3)oc2C)cc1 ZINC000012431267 570744397 /nfs/dbraw/zinc/74/43/97/570744397.db2.gz YTQHSLIYVQSHSN-CQSZACIVSA-N 1 1 370.880 5.505 50 0 FKAAMO COc1ccc([C@@H](C)[N@H+](C)Cc2nc(-c3ccc(Cl)cc3)oc2C)cc1 ZINC000012431267 570744395 /nfs/dbraw/zinc/74/43/95/570744395.db2.gz YTQHSLIYVQSHSN-CQSZACIVSA-N 1 1 370.880 5.505 50 0 FKAAMO COc1ccc([C@H](C)[N@@H+](C)Cc2nc(-c3ccc(Cl)cc3)oc2C)cc1 ZINC000012431268 570744147 /nfs/dbraw/zinc/74/41/47/570744147.db2.gz YTQHSLIYVQSHSN-AWEZNQCLSA-N 1 1 370.880 5.505 50 0 FKAAMO COc1ccc([C@H](C)[N@H+](C)Cc2nc(-c3ccc(Cl)cc3)oc2C)cc1 ZINC000012431268 570744143 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C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1ccccc1Cl ZINC000012550804 136151569 /nfs/dbraw/zinc/15/15/69/136151569.db2.gz MLFHIATYQUKEAE-MRXNPFEDSA-N 1 1 371.912 5.015 50 0 FKAAMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000012558689 571181639 /nfs/dbraw/zinc/18/16/39/571181639.db2.gz RVAYDIBWCICNHH-MRXNPFEDSA-N 1 1 371.912 5.078 50 0 FKAAMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000012558694 571181634 /nfs/dbraw/zinc/18/16/34/571181634.db2.gz RVAYDIBWCICNHH-INIZCTEOSA-N 1 1 371.912 5.078 50 0 FKAAMO CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000012560171 207394458 /nfs/dbraw/zinc/39/44/58/207394458.db2.gz UIPPYAQJNDISIQ-GOSISDBHSA-N 1 1 365.521 5.239 50 0 FKAAMO CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000012560172 571181862 /nfs/dbraw/zinc/18/18/62/571181862.db2.gz UIPPYAQJNDISIQ-SFHVURJKSA-N 1 1 365.521 5.239 50 0 FKAAMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000012576111 571185370 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Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3c3cccc(F)c3)c(C)o2)o1 ZINC000012593534 570752482 /nfs/dbraw/zinc/75/24/82/570752482.db2.gz JJHQSAZKYJXAGA-LJQANCHMSA-N 1 1 354.425 5.418 50 0 FKAAMO Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3c3cccc(F)c3)c(C)o2)o1 ZINC000012593534 570752480 /nfs/dbraw/zinc/75/24/80/570752480.db2.gz JJHQSAZKYJXAGA-LJQANCHMSA-N 1 1 354.425 5.418 50 0 FKAAMO Cc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3c3cccc(F)c3)c(C)o2)o1 ZINC000012593537 570752348 /nfs/dbraw/zinc/75/23/48/570752348.db2.gz JJHQSAZKYJXAGA-IBGZPJMESA-N 1 1 354.425 5.418 50 0 FKAAMO Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3c3cccc(F)c3)c(C)o2)o1 ZINC000012593537 570752346 /nfs/dbraw/zinc/75/23/46/570752346.db2.gz JJHQSAZKYJXAGA-IBGZPJMESA-N 1 1 354.425 5.418 50 0 FKAAMO C[N@@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)C1CCCCC1 ZINC000012597084 220012487 /nfs/dbraw/zinc/01/24/87/220012487.db2.gz GRNLAQMZLMGVCR-UHFFFAOYSA-N 1 1 361.489 5.014 50 0 FKAAMO CCOC(=O)c1sc2cccc(F)c2c1C[N@@H+](C)Cc1ccccc1C ZINC000012599594 571189107 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Cc1ccc([C@H]([NH2+][C@H](C)C(=O)c2c[nH]c3ccccc32)c2cccs2)cc1 ZINC000012751757 571076399 /nfs/dbraw/zinc/07/63/99/571076399.db2.gz AZEJPUFFFZCHBC-ZHRRBRCNSA-N 1 1 374.509 5.488 50 0 FKAAMO Cc1ccc([C@H]([NH2+][C@@H](C)C(=O)c2c[nH]c3ccccc32)c2cccs2)cc1 ZINC000012751762 220024537 /nfs/dbraw/zinc/02/45/37/220024537.db2.gz AZEJPUFFFZCHBC-AOMKIAJQSA-N 1 1 374.509 5.488 50 0 FKAAMO Cc1ccc([C@@H]([NH2+][C@H](C)C(=O)c2c[nH]c3ccccc32)c2cccs2)cc1 ZINC000012751768 571076477 /nfs/dbraw/zinc/07/64/77/571076477.db2.gz AZEJPUFFFZCHBC-OPAMFIHVSA-N 1 1 374.509 5.488 50 0 FKAAMO Cc1ccc([C@@H]([NH2+][C@@H](C)C(=O)c2c[nH]c3ccccc32)c2cccs2)cc1 ZINC000012751773 571076472 /nfs/dbraw/zinc/07/64/72/571076472.db2.gz AZEJPUFFFZCHBC-KSFYIVLOSA-N 1 1 374.509 5.488 50 0 FKAAMO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2ccccc2c1 ZINC000012816596 220033856 /nfs/dbraw/zinc/03/38/56/220033856.db2.gz JJZORTBPTBKMGC-UHFFFAOYSA-N 1 1 373.283 5.217 50 0 FKAAMO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2ccccc2c1 ZINC000012816596 220033853 /nfs/dbraw/zinc/03/38/53/220033853.db2.gz JJZORTBPTBKMGC-UHFFFAOYSA-N 1 1 373.283 5.217 50 0 FKAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2coc(-c3ccc(C)cc3C)n2)cc1 ZINC000012971859 211011902 /nfs/dbraw/zinc/01/19/02/211011902.db2.gz JPZRHEXQXGKPTN-QFIPXVFZSA-N 1 1 362.473 5.304 50 0 FKAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C)cc3C)n2)cc1 ZINC000012971859 211011900 /nfs/dbraw/zinc/01/19/00/211011900.db2.gz JPZRHEXQXGKPTN-QFIPXVFZSA-N 1 1 362.473 5.304 50 0 FKAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2coc(-c3ccc(C)cc3C)n2)cc1 ZINC000012971861 570768729 /nfs/dbraw/zinc/76/87/29/570768729.db2.gz JPZRHEXQXGKPTN-JOCHJYFZSA-N 1 1 362.473 5.304 50 0 FKAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C)cc3C)n2)cc1 ZINC000012971861 570768728 /nfs/dbraw/zinc/76/87/28/570768728.db2.gz JPZRHEXQXGKPTN-JOCHJYFZSA-N 1 1 362.473 5.304 50 0 FKAAMO CCc1ccc(-c2noc(C[NH2+][C@H](c3ccc(Cl)cc3)C(C)C)n2)cc1 ZINC000012972061 211012699 /nfs/dbraw/zinc/01/26/99/211012699.db2.gz UZWSMICUHBAVHF-FQEVSTJZSA-N 1 1 369.896 5.439 50 0 FKAAMO CCc1ccc(-c2noc(C[NH2+][C@@H](c3ccc(Cl)cc3)C(C)C)n2)cc1 ZINC000012972062 570768660 /nfs/dbraw/zinc/76/86/60/570768660.db2.gz UZWSMICUHBAVHF-HXUWFJFHSA-N 1 1 369.896 5.439 50 0 FKAAMO Clc1ccccc1-c1nc(C[N@@H+]2CC=C(c3ccccc3)CC2)cs1 ZINC000013042505 570772911 /nfs/dbraw/zinc/77/29/11/570772911.db2.gz LZCRZOXPSSYACL-UHFFFAOYSA-N 1 1 366.917 5.753 50 0 FKAAMO Clc1ccccc1-c1nc(C[N@H+]2CC=C(c3ccccc3)CC2)cs1 ZINC000013042505 570772907 /nfs/dbraw/zinc/77/29/07/570772907.db2.gz LZCRZOXPSSYACL-UHFFFAOYSA-N 1 1 366.917 5.753 50 0 FKAAMO Cc1[nH]c2ccccc2c1[C@@H](Nc1cc(C)cc[nH+]1)c1ccc(Cl)cc1 ZINC000013060121 570773113 /nfs/dbraw/zinc/77/31/13/570773113.db2.gz NFJXZWXCLRCTGM-QFIPXVFZSA-N 1 1 361.876 6.035 50 0 FKAAMO Cc1[nH]c2ccccc2c1[C@H](Nc1cc(C)cc[nH+]1)c1ccc(Cl)cc1 ZINC000013060124 211022594 /nfs/dbraw/zinc/02/25/94/211022594.db2.gz NFJXZWXCLRCTGM-JOCHJYFZSA-N 1 1 361.876 6.035 50 0 FKAAMO CC(C)c1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000013073317 571323031 /nfs/dbraw/zinc/32/30/31/571323031.db2.gz NFZDARHBPZELIY-UHFFFAOYSA-N 1 1 365.304 5.187 50 0 FKAAMO CC(C)c1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000013073317 571323030 /nfs/dbraw/zinc/32/30/30/571323030.db2.gz NFZDARHBPZELIY-UHFFFAOYSA-N 1 1 365.304 5.187 50 0 FKAAMO CC(C)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000013096150 571323070 /nfs/dbraw/zinc/32/30/70/571323070.db2.gz JOYVJFPISPUMLM-UHFFFAOYSA-N 1 1 352.522 5.178 50 0 FKAAMO CC(C)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000013096150 571323069 /nfs/dbraw/zinc/32/30/69/571323069.db2.gz JOYVJFPISPUMLM-UHFFFAOYSA-N 1 1 352.522 5.178 50 0 FKAAMO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013119891 571118607 /nfs/dbraw/zinc/11/86/07/571118607.db2.gz XXNRZZXPXAFYRJ-KXMWUTRISA-N 1 1 357.497 5.328 50 0 FKAAMO CC(C)SC1=[NH+]C(C)(C)C=C(C=Cc2ccc(Cl)cc2Cl)N1 ZINC000013125350 211023999 /nfs/dbraw/zinc/02/39/99/211023999.db2.gz AYSBPUMCRPNTPR-SOFGYWHQSA-N 1 1 355.334 5.770 50 0 FKAAMO CC(C)SC1=[NH+]C(C)(C)C=C(C=Cc2c(Cl)cccc2Cl)N1 ZINC000013125351 211023647 /nfs/dbraw/zinc/02/36/47/211023647.db2.gz JXIOCQTVUSXBEH-CMDGGOBGSA-N 1 1 355.334 5.770 50 0 FKAAMO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000013517319 570778636 /nfs/dbraw/zinc/77/86/36/570778636.db2.gz AQYWHUJCPVLQLO-FSAHKVHBSA-N 1 1 371.524 5.414 50 0 FKAAMO Cc1ccsc1-c1nc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c(C)o1 ZINC000013593400 220076959 /nfs/dbraw/zinc/07/69/59/220076959.db2.gz IEMDLVORLQYRJZ-GOSISDBHSA-N 1 1 356.466 5.496 50 0 FKAAMO Cc1ccsc1-c1nc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c(C)o1 ZINC000013593400 220076957 /nfs/dbraw/zinc/07/69/57/220076957.db2.gz IEMDLVORLQYRJZ-GOSISDBHSA-N 1 1 356.466 5.496 50 0 FKAAMO Cc1ccsc1-c1nc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c(C)o1 ZINC000013593403 205097963 /nfs/dbraw/zinc/09/79/63/205097963.db2.gz IEMDLVORLQYRJZ-SFHVURJKSA-N 1 1 356.466 5.496 50 0 FKAAMO Cc1ccsc1-c1nc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c(C)o1 ZINC000013593403 205097961 /nfs/dbraw/zinc/09/79/61/205097961.db2.gz IEMDLVORLQYRJZ-SFHVURJKSA-N 1 1 356.466 5.496 50 0 FKAAMO COc1ccccc1C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000013720234 220089800 /nfs/dbraw/zinc/08/98/00/220089800.db2.gz JIDSPJYCZBCTKL-UHFFFAOYSA-N 1 1 367.876 5.217 50 0 FKAAMO COc1ccccc1C[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000013720238 570786402 /nfs/dbraw/zinc/78/64/02/570786402.db2.gz MVQUXQQIFMDVMY-UHFFFAOYSA-N 1 1 367.876 5.217 50 0 FKAAMO COc1ccccc1C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000013720470 220089582 /nfs/dbraw/zinc/08/95/82/220089582.db2.gz GAGNKGMCDZCECV-UHFFFAOYSA-N 1 1 367.876 5.217 50 0 FKAAMO COc1ccccc1C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013720647 570786351 /nfs/dbraw/zinc/78/63/51/570786351.db2.gz WWHCTYYQVJQJNH-UHFFFAOYSA-N 1 1 362.256 5.552 50 0 FKAAMO COc1ccccc1C[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000013720653 220089601 /nfs/dbraw/zinc/08/96/01/220089601.db2.gz KHAIWPYHKXEXGK-UHFFFAOYSA-N 1 1 362.256 5.552 50 0 FKAAMO COc1ccccc1C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000013720660 220089506 /nfs/dbraw/zinc/08/95/06/220089506.db2.gz YDLWKTSLYFMXBL-UHFFFAOYSA-N 1 1 372.262 5.008 50 0 FKAAMO COc1ccccc1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013720670 570786341 /nfs/dbraw/zinc/78/63/41/570786341.db2.gz JILFANWZMYXZEZ-UHFFFAOYSA-N 1 1 362.256 5.552 50 0 FKAAMO COc1ccccc1C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000013720789 220089861 /nfs/dbraw/zinc/08/98/61/220089861.db2.gz URGCLRIBJCTIAI-UHFFFAOYSA-N 1 1 361.363 5.264 50 0 FKAAMO CCOc1cccc(C[NH2+]Cc2ccco2)c1OCc1ccccc1Cl ZINC000013729822 211053483 /nfs/dbraw/zinc/05/34/83/211053483.db2.gz HXGUONCKXZDVRN-UHFFFAOYSA-N 1 1 371.864 5.201 50 0 FKAAMO CCOc1cccc(C[NH2+]Cc2ccco2)c1OCc1ccc(Cl)cc1 ZINC000013730240 570788083 /nfs/dbraw/zinc/78/80/83/570788083.db2.gz SKBKGFAJADOQSW-UHFFFAOYSA-N 1 1 371.864 5.201 50 0 FKAAMO O[C@]12CCCC[C@@H]1[C@@H](c1ccc(F)cc1)[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000013769940 571097518 /nfs/dbraw/zinc/09/75/18/571097518.db2.gz WJIDANGHKXCJLA-TUZBMEMXSA-N 1 1 365.492 5.207 50 0 FKAAMO c1ccc(C([NH2+]Cc2cccnc2)(c2ccccc2)c2ccccc2)cc1 ZINC000013831244 220097245 /nfs/dbraw/zinc/09/72/45/220097245.db2.gz PQFNWDHABGBCHB-UHFFFAOYSA-N 1 1 350.465 5.163 50 0 in-vitro FKAAMO CN(CC[N@@H+](C)C(C)(C)C)C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000013943002 570798426 /nfs/dbraw/zinc/79/84/26/570798426.db2.gz GOICJZRFQVESQG-UHFFFAOYSA-N 1 1 360.586 5.084 50 0 FKAAMO O=C(Nc1cccc(C[NH2+]Cc2ccccc2F)c1)c1ccccc1Cl ZINC000014240248 204577493 /nfs/dbraw/zinc/57/74/93/204577493.db2.gz UUYQZYJUWNCYLC-UHFFFAOYSA-N 1 1 368.839 5.021 50 0 FKAAMO COc1ccc(NC(=O)c2ccc(C[N@@H+](C)C3CCCCCC3)cc2)cc1 ZINC000014705272 220129698 /nfs/dbraw/zinc/12/96/98/220129698.db2.gz YYZIMVKQLROVBT-UHFFFAOYSA-N 1 1 366.505 5.102 50 0 FKAAMO Fc1ccccc1-c1c[nH]nc1[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000014986440 211110337 /nfs/dbraw/zinc/11/03/37/211110337.db2.gz KXPDNPLEAOZGFQ-LJQANCHMSA-N 1 1 363.480 5.028 50 0 FKAAMO Fc1ccccc1-c1c[nH]nc1[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000014986441 211111800 /nfs/dbraw/zinc/11/18/00/211111800.db2.gz KXPDNPLEAOZGFQ-IBGZPJMESA-N 1 1 363.480 5.028 50 0 FKAAMO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000014988554 220140156 /nfs/dbraw/zinc/14/01/56/220140156.db2.gz AZARSCZBJRFUPZ-GOSISDBHSA-N 1 1 367.443 5.043 50 0 FKAAMO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000014988557 570828101 /nfs/dbraw/zinc/82/81/01/570828101.db2.gz AZARSCZBJRFUPZ-SFHVURJKSA-N 1 1 367.443 5.043 50 0 FKAAMO CCc1ccc(C[N@H+]2CCOc3c(O)cc(-c4cccs4)cc3C2)cc1 ZINC000014991031 211112605 /nfs/dbraw/zinc/11/26/05/211112605.db2.gz AJJUASDJWXKEMW-UHFFFAOYSA-N 1 1 365.498 5.078 50 0 FKAAMO CCc1ccc(C[N@@H+]2CCOc3c(O)cc(-c4cccs4)cc3C2)cc1 ZINC000014991031 211112599 /nfs/dbraw/zinc/11/25/99/211112599.db2.gz AJJUASDJWXKEMW-UHFFFAOYSA-N 1 1 365.498 5.078 50 0 FKAAMO CC(C)=CCC[C@@H](C)C[N@H+]1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000014996934 220140064 /nfs/dbraw/zinc/14/00/64/220140064.db2.gz NBEVJNPUGAFVMG-GOSISDBHSA-N 1 1 366.505 5.031 50 0 FKAAMO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)c1 ZINC000015004389 211112838 /nfs/dbraw/zinc/11/28/38/211112838.db2.gz DAEXKOKLLGHFGG-QGZVFWFLSA-N 1 1 367.443 5.043 50 0 FKAAMO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)c1 ZINC000015004391 220139938 /nfs/dbraw/zinc/13/99/38/220139938.db2.gz DAEXKOKLLGHFGG-KRWDZBQOSA-N 1 1 367.443 5.043 50 0 FKAAMO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c1 ZINC000015005668 570828724 /nfs/dbraw/zinc/82/87/24/570828724.db2.gz BCXOZJPABOAVMA-GOSISDBHSA-N 1 1 367.443 5.043 50 0 FKAAMO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c1 ZINC000015005670 570828914 /nfs/dbraw/zinc/82/89/14/570828914.db2.gz BCXOZJPABOAVMA-SFHVURJKSA-N 1 1 367.443 5.043 50 0 FKAAMO C[C@@H](C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1)c1ccccc1 ZINC000015008481 570828879 /nfs/dbraw/zinc/82/88/79/570828879.db2.gz GFGRSSQONNCQAL-FXAWDEMLSA-N 1 1 363.480 5.199 50 0 FKAAMO C[C@H](C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1)c1ccccc1 ZINC000015008484 570828906 /nfs/dbraw/zinc/82/89/06/570828906.db2.gz GFGRSSQONNCQAL-YLJYHZDGSA-N 1 1 363.480 5.199 50 0 FKAAMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000015063961 220144170 /nfs/dbraw/zinc/14/41/70/220144170.db2.gz XYYNONQYCCCRIQ-SFHVURJKSA-N 1 1 354.475 5.057 50 0 FKAAMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000015063961 220144167 /nfs/dbraw/zinc/14/41/67/220144167.db2.gz XYYNONQYCCCRIQ-SFHVURJKSA-N 1 1 354.475 5.057 50 0 FKAAMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000015063962 571129569 /nfs/dbraw/zinc/12/95/69/571129569.db2.gz XYYNONQYCCCRIQ-GOSISDBHSA-N 1 1 354.475 5.057 50 0 FKAAMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000015063962 571129567 /nfs/dbraw/zinc/12/95/67/571129567.db2.gz XYYNONQYCCCRIQ-GOSISDBHSA-N 1 1 354.475 5.057 50 0 FKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+](C)C(C1CC1)C1CC1 ZINC000015067271 570831074 /nfs/dbraw/zinc/83/10/74/570831074.db2.gz WPZUIUXWXREDEY-UHFFFAOYSA-N 1 1 364.411 5.289 50 0 FKAAMO Cc1ccc(-c2noc(C[NH2+][C@@H](Cc3ccccc3)c3ccccc3)n2)cc1 ZINC000015487576 570839216 /nfs/dbraw/zinc/83/92/16/570839216.db2.gz ISFQIUAGIVBADV-QFIPXVFZSA-N 1 1 369.468 5.119 50 0 FKAAMO Cc1ccc(-c2noc(C[NH2+][C@H](Cc3ccccc3)c3ccccc3)n2)cc1 ZINC000015487577 211130446 /nfs/dbraw/zinc/13/04/46/211130446.db2.gz ISFQIUAGIVBADV-JOCHJYFZSA-N 1 1 369.468 5.119 50 0 FKAAMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000015581986 220155836 /nfs/dbraw/zinc/15/58/36/220155836.db2.gz FYGJSXQFZDFQFQ-UHFFFAOYSA-N 1 1 374.315 5.145 50 0 FKAAMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000015581998 211131984 /nfs/dbraw/zinc/13/19/84/211131984.db2.gz VXXVOYCDRIBCMR-UHFFFAOYSA-N 1 1 374.315 5.145 50 0 FKAAMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1OCC ZINC000015836700 211146068 /nfs/dbraw/zinc/14/60/68/211146068.db2.gz QEPVSQJEYCNHGO-IBGZPJMESA-N 1 1 359.897 5.475 50 0 FKAAMO CCOc1cc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)ccc1OC(C)C ZINC000015836915 220167477 /nfs/dbraw/zinc/16/74/77/220167477.db2.gz AWJBXLZNLZEOSV-OAQYLSRUSA-N 1 1 369.505 5.218 50 0 FKAAMO CCOc1cc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)ccc1OC(C)C ZINC000015836917 571134791 /nfs/dbraw/zinc/13/47/91/571134791.db2.gz AWJBXLZNLZEOSV-NRFANRHFSA-N 1 1 369.505 5.218 50 0 FKAAMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1OCC ZINC000015836920 220167713 /nfs/dbraw/zinc/16/77/13/220167713.db2.gz VCVMZTITLRRQHO-OAQYLSRUSA-N 1 1 369.505 5.220 50 0 FKAAMO CCCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1OCC ZINC000015836922 571134735 /nfs/dbraw/zinc/13/47/35/571134735.db2.gz VCVMZTITLRRQHO-NRFANRHFSA-N 1 1 369.505 5.220 50 0 FKAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC(C)C)c(OC)c2)cc1 ZINC000015836969 571134740 /nfs/dbraw/zinc/13/47/40/571134740.db2.gz VSJCUNWWGNQEOW-NRFANRHFSA-N 1 1 369.505 5.076 50 0 FKAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OCC(C)C)c(OC)c2)cc1 ZINC000015836973 220167244 /nfs/dbraw/zinc/16/72/44/220167244.db2.gz VSJCUNWWGNQEOW-OAQYLSRUSA-N 1 1 369.505 5.076 50 0 FKAAMO CCOc1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)ccc1OC(C)C ZINC000015837156 571134782 /nfs/dbraw/zinc/13/47/82/571134782.db2.gz NZMQJIJAHLFNMU-HXUWFJFHSA-N 1 1 357.469 5.349 50 0 FKAAMO CCOc1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)ccc1OC(C)C ZINC000015837161 220167203 /nfs/dbraw/zinc/16/72/03/220167203.db2.gz NZMQJIJAHLFNMU-FQEVSTJZSA-N 1 1 357.469 5.349 50 0 FKAAMO CCOc1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)ccc1OC(C)C ZINC000015837383 571135001 /nfs/dbraw/zinc/13/50/01/571135001.db2.gz AAJGMUMJCFQAGT-HXUWFJFHSA-N 1 1 357.469 5.349 50 0 FKAAMO CCOc1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)ccc1OC(C)C ZINC000015837386 220167330 /nfs/dbraw/zinc/16/73/30/220167330.db2.gz AAJGMUMJCFQAGT-FQEVSTJZSA-N 1 1 357.469 5.349 50 0 FKAAMO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000015862290 220169826 /nfs/dbraw/zinc/16/98/26/220169826.db2.gz MLRHYUUQIQVRNU-UHFFFAOYSA-N 1 1 368.908 5.211 50 0 FKAAMO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000015862291 211147395 /nfs/dbraw/zinc/14/73/95/211147395.db2.gz XZEALPJYXSHODW-UHFFFAOYSA-N 1 1 358.844 5.145 50 0 FKAAMO Cc1ccc(C[N@H+](Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)CC(C)C)cc1 ZINC000015862310 211147249 /nfs/dbraw/zinc/14/72/49/211147249.db2.gz ZPAANFQBRREVRU-UHFFFAOYSA-N 1 1 362.517 5.112 50 0 FKAAMO Cc1ccc(C[N@H+](Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)CC(C)C)cc1 ZINC000015862312 571138395 /nfs/dbraw/zinc/13/83/95/571138395.db2.gz BKCOIMORAPCPNZ-UHFFFAOYSA-N 1 1 362.517 5.112 50 0 FKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1ccc(C)cc1)[C@@H]2c1ccccc1 ZINC000015864865 211147227 /nfs/dbraw/zinc/14/72/27/211147227.db2.gz AMHLNEOJOIXMSV-HSZRJFAPSA-N 1 1 361.554 6.075 50 0 FKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1ccc(C)cc1)[C@H]2c1ccccc1 ZINC000015864866 220169862 /nfs/dbraw/zinc/16/98/62/220169862.db2.gz AMHLNEOJOIXMSV-QHCPKHFHSA-N 1 1 361.554 6.075 50 0 FKAAMO C=Cc1ccc(C[N@@H+]2CCc3c(CC)c(C)sc3[C@H]2c2ccccc2)cc1 ZINC000015864875 211148076 /nfs/dbraw/zinc/14/80/76/211148076.db2.gz YNWXCISGUIHPKJ-XMMPIXPASA-N 1 1 373.565 6.410 50 0 FKAAMO C=Cc1ccc(C[N@@H+]2CCc3c(CC)c(C)sc3[C@@H]2c2ccccc2)cc1 ZINC000015864876 571139576 /nfs/dbraw/zinc/13/95/76/571139576.db2.gz YNWXCISGUIHPKJ-DEOSSOPVSA-N 1 1 373.565 6.410 50 0 FKAAMO Clc1ccc(COc2ccccc2C[NH2+]Cc2ccccc2Cl)cc1 ZINC000016449776 211161231 /nfs/dbraw/zinc/16/12/31/211161231.db2.gz KMKMDWUEAZRZPV-UHFFFAOYSA-N 1 1 372.295 5.862 50 0 FKAAMO Fc1ccc(COc2ccccc2C[NH2+]Cc2ccccc2Cl)cc1 ZINC000016449778 570856757 /nfs/dbraw/zinc/85/67/57/570856757.db2.gz OBNHTYMYMBZURB-UHFFFAOYSA-N 1 1 355.840 5.348 50 0 FKAAMO Clc1ccccc1C[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000016449781 570856715 /nfs/dbraw/zinc/85/67/15/570856715.db2.gz QJPOWMJYLCAHCC-UHFFFAOYSA-N 1 1 372.295 5.862 50 0 FKAAMO Fc1ccccc1COc1ccccc1C[NH2+]Cc1ccccc1Cl ZINC000016449783 570856804 /nfs/dbraw/zinc/85/68/04/570856804.db2.gz WPBOAVKNTJNQJT-UHFFFAOYSA-N 1 1 355.840 5.348 50 0 FKAAMO Clc1ccc(OCc2ccccc2)c(C[NH2+]Cc2ccccc2Cl)c1 ZINC000016480576 570857160 /nfs/dbraw/zinc/85/71/60/570857160.db2.gz FEGPXBNMRJKJMI-UHFFFAOYSA-N 1 1 372.295 5.862 50 0 FKAAMO COc1ccc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1 ZINC000016677757 211166780 /nfs/dbraw/zinc/16/67/80/211166780.db2.gz GLAWGAJBLDJJOM-QHCPKHFHSA-N 1 1 360.501 5.242 50 0 FKAAMO COc1ccc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1 ZINC000016677758 211166229 /nfs/dbraw/zinc/16/62/29/211166229.db2.gz GLAWGAJBLDJJOM-HSZRJFAPSA-N 1 1 360.501 5.242 50 0 FKAAMO CC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc2c1O[C@H](c1ccsc1)OC2 ZINC000016695695 570861155 /nfs/dbraw/zinc/86/11/55/570861155.db2.gz MARXIEPXUFOSFT-UYAOXDASSA-N 1 1 361.482 5.260 50 0 FKAAMO CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc2c1O[C@H](c1ccsc1)OC2 ZINC000016695696 570860747 /nfs/dbraw/zinc/86/07/47/570860747.db2.gz MARXIEPXUFOSFT-AZUAARDMSA-N 1 1 361.482 5.260 50 0 FKAAMO Cc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccccc3Cl)c2)cc1 ZINC000017310500 570748898 /nfs/dbraw/zinc/74/88/98/570748898.db2.gz XNOLREMSQNEVQT-UHFFFAOYSA-N 1 1 364.876 5.191 50 0 FKAAMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000018936021 220232839 /nfs/dbraw/zinc/23/28/39/220232839.db2.gz HNYKNOLGUJLSEY-UHFFFAOYSA-N 1 1 361.894 5.147 50 0 FKAAMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000018936026 571124698 /nfs/dbraw/zinc/12/46/98/571124698.db2.gz JAAXCFQJUVRGPN-UHFFFAOYSA-N 1 1 361.894 5.147 50 0 FKAAMO Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](c4ccccc4F)C3)c(C)o2)s1 ZINC000019225336 220242083 /nfs/dbraw/zinc/24/20/83/220242083.db2.gz YSUWCLJCQJFTHX-OAHLLOKOSA-N 1 1 356.466 5.149 50 0 FKAAMO Cc1ccc(-c2nc(C[N@H+]3CC[C@H](c4ccccc4F)C3)c(C)o2)s1 ZINC000019225340 220240775 /nfs/dbraw/zinc/24/07/75/220240775.db2.gz YSUWCLJCQJFTHX-HNNXBMFYSA-N 1 1 356.466 5.149 50 0 FKAAMO CC[C@H](c1ccc(OC)cc1)N(C)C[N@@H+](C)[C@H](CC)c1ccc(OC)cc1 ZINC000019321511 571160316 /nfs/dbraw/zinc/16/03/16/571160316.db2.gz YXAIRMNQLUEZSJ-DHIUTWEWSA-N 1 1 370.537 5.127 50 0 FKAAMO CC[C@@H](c1ccc(OC)cc1)N(C)C[N@@H+](C)[C@@H](CC)c1ccc(OC)cc1 ZINC000019323868 570885808 /nfs/dbraw/zinc/88/58/08/570885808.db2.gz YXAIRMNQLUEZSJ-GOTSBHOMSA-N 1 1 370.537 5.127 50 0 FKAAMO CC[C@H](c1ccc(OC)cc1)[N@H+](C)CN(C)[C@@H](CC)c1ccc(OC)cc1 ZINC000019323870 570885689 /nfs/dbraw/zinc/88/56/89/570885689.db2.gz YXAIRMNQLUEZSJ-ZRZAMGCNSA-N 1 1 370.537 5.127 50 0 FKAAMO CC[C@H](c1ccc(OC)cc1)[N@@H+](C)CN(C)[C@@H](CC)c1ccc(OC)cc1 ZINC000019323870 570885687 /nfs/dbraw/zinc/88/56/87/570885687.db2.gz YXAIRMNQLUEZSJ-ZRZAMGCNSA-N 1 1 370.537 5.127 50 0 FKAAMO CC[C@H](c1ccc(OC)cc1)N(C)C[N@@H+](C)[C@@H](CC)c1ccc(OC)cc1 ZINC000019323870 570885684 /nfs/dbraw/zinc/88/56/84/570885684.db2.gz YXAIRMNQLUEZSJ-ZRZAMGCNSA-N 1 1 370.537 5.127 50 0 FKAAMO CCc1ccc(C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019359760 570887359 /nfs/dbraw/zinc/88/73/59/570887359.db2.gz IBHIGHXMWAXHKA-UHFFFAOYSA-N 1 1 370.540 5.156 50 0 FKAAMO c1[nH]nc(-c2ccccc2)c1C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000019722693 570901263 /nfs/dbraw/zinc/90/12/63/570901263.db2.gz CALWOJIHEDRGBR-UHFFFAOYSA-N 1 1 367.496 5.322 50 0 FKAAMO Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c(C)c1 ZINC000019760646 570902252 /nfs/dbraw/zinc/90/22/52/570902252.db2.gz DJQSQUYKHMHLPD-UHFFFAOYSA-N 1 1 370.496 5.114 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C[N@@H+](Cc1cc2cc(F)ccc2[nH]1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000019850218 523183700 /nfs/dbraw/zinc/18/37/00/523183700.db2.gz DJNLLPCLPDDPQN-UHFFFAOYSA-N 1 1 374.419 5.075 50 0 FKAAMO c1ccc(-c2c3ccccn3c(C[NH+]3CCOCC3)c2-c2ccccc2)cc1 ZINC000019863957 570904971 /nfs/dbraw/zinc/90/49/71/570904971.db2.gz MSUWHERZLRIMST-UHFFFAOYSA-N 1 1 368.480 5.106 50 0 FKAAMO Cc1cccc(C)c1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020028441 211263141 /nfs/dbraw/zinc/26/31/41/211263141.db2.gz JAIFWJBLUVTGTN-UHFFFAOYSA-N 1 1 370.496 5.114 50 0 FKAAMO CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020108157 571327969 /nfs/dbraw/zinc/32/79/69/571327969.db2.gz ZKJMPYIDMQIGNU-PGRDOPGGSA-N 1 1 350.506 5.222 50 0 FKAAMO CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020108161 220312365 /nfs/dbraw/zinc/31/23/65/220312365.db2.gz GYZUJEAEHADFSP-SELNLUPBSA-N 1 1 364.533 5.468 50 0 FKAAMO Cc1cccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1C ZINC000020149102 211270015 /nfs/dbraw/zinc/27/00/15/211270015.db2.gz PXJLCUCNAHNABV-UHFFFAOYSA-N 1 1 370.496 5.114 50 0 FKAAMO COc1ccc(-c2nc(C[N@H+]3C[C@H]4C[C@@H]3CCC4)c(C)o2)c2ccccc12 ZINC000020149376 211271058 /nfs/dbraw/zinc/27/10/58/211271058.db2.gz QOOWIAJNWXGWRQ-SJORKVTESA-N 1 1 362.473 5.186 50 0 FKAAMO c1coc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc4ccccc43)C2)c1 ZINC000020256239 211273688 /nfs/dbraw/zinc/27/36/88/211273688.db2.gz FPJFHDPYOPGNKR-GOSISDBHSA-N 1 1 357.457 5.203 50 0 FKAAMO c1coc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc4ccccc43)C2)c1 ZINC000020256241 220320988 /nfs/dbraw/zinc/32/09/88/220320988.db2.gz FPJFHDPYOPGNKR-SFHVURJKSA-N 1 1 357.457 5.203 50 0 FKAAMO CCCC[N@@H+](Cc1cccs1)Cc1cc(=O)oc2ccc(OCC)cc12 ZINC000020446842 520549484 /nfs/dbraw/zinc/54/94/84/520549484.db2.gz XMUSQFMCWOZELC-UHFFFAOYSA-N 1 1 371.502 5.056 50 0 FKAAMO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000020452708 524111267 /nfs/dbraw/zinc/11/12/67/524111267.db2.gz NIIGMQZXDDMXRL-GOSISDBHSA-N 1 1 367.443 5.043 50 0 FKAAMO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000020452710 524111483 /nfs/dbraw/zinc/11/14/83/524111483.db2.gz NIIGMQZXDDMXRL-SFHVURJKSA-N 1 1 367.443 5.043 50 0 FKAAMO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000020536470 526759820 /nfs/dbraw/zinc/75/98/20/526759820.db2.gz UXJXWSYMCBOUJR-OAHLLOKOSA-N 1 1 370.905 5.045 50 0 FKAAMO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000020536470 526759817 /nfs/dbraw/zinc/75/98/17/526759817.db2.gz UXJXWSYMCBOUJR-OAHLLOKOSA-N 1 1 370.905 5.045 50 0 FKAAMO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000020536473 526760923 /nfs/dbraw/zinc/76/09/23/526760923.db2.gz UXJXWSYMCBOUJR-HNNXBMFYSA-N 1 1 370.905 5.045 50 0 FKAAMO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000020536473 526760919 /nfs/dbraw/zinc/76/09/19/526760919.db2.gz UXJXWSYMCBOUJR-HNNXBMFYSA-N 1 1 370.905 5.045 50 0 FKAAMO CCOc1ccccc1-c1nc(C[N@@H+](C)Cc2sccc2C)c(C)o1 ZINC000020600476 521439434 /nfs/dbraw/zinc/43/94/34/521439434.db2.gz JKIXYAYEIOZTEC-UHFFFAOYSA-N 1 1 356.491 5.051 50 0 FKAAMO CCOc1ccccc1-c1nc(C[N@H+](C)Cc2sccc2C)c(C)o1 ZINC000020600476 521439429 /nfs/dbraw/zinc/43/94/29/521439429.db2.gz JKIXYAYEIOZTEC-UHFFFAOYSA-N 1 1 356.491 5.051 50 0 FKAAMO CCC/C=C/C[N@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2c(C)noc2C)s1 ZINC000020781516 211296126 /nfs/dbraw/zinc/29/61/26/211296126.db2.gz MZCFZWOZKRWDAK-FYCOFBDGSA-N 1 1 373.522 5.098 50 0 FKAAMO CCC/C=C/C[N@H+]1CCC[C@H]1c1ccc(C(=O)Nc2c(C)noc2C)s1 ZINC000020781519 570925194 /nfs/dbraw/zinc/92/51/94/570925194.db2.gz MZCFZWOZKRWDAK-MOEXGYKKSA-N 1 1 373.522 5.098 50 0 FKAAMO Clc1cccc([C@@H]([NH2+]C2CCCCC2)c2nnc(-c3ccccc3)o2)c1 ZINC000020852551 526982656 /nfs/dbraw/zinc/98/26/56/526982656.db2.gz LQZOJQORMQBLTM-LJQANCHMSA-N 1 1 367.880 5.402 50 0 FKAAMO Clc1cccc([C@H]([NH2+]C2CCCCC2)c2nnc(-c3ccccc3)o2)c1 ZINC000020852555 220342380 /nfs/dbraw/zinc/34/23/80/220342380.db2.gz LQZOJQORMQBLTM-IBGZPJMESA-N 1 1 367.880 5.402 50 0 FKAAMO Cc1ccc(COc2ccccc2C[NH2+]Cc2ccccc2Cl)cc1 ZINC000020873597 524631630 /nfs/dbraw/zinc/63/16/30/524631630.db2.gz GKLLJUJUCUXHEY-UHFFFAOYSA-N 1 1 351.877 5.517 50 0 FKAAMO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccco2)cc1 ZINC000020874262 524631954 /nfs/dbraw/zinc/63/19/54/524631954.db2.gz SFEKCMIQBTYQPZ-UHFFFAOYSA-N 1 1 357.453 5.610 50 0 FKAAMO COc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875055 522468506 /nfs/dbraw/zinc/46/85/06/522468506.db2.gz UTQGBGFESVPEMN-UHFFFAOYSA-N 1 1 371.864 5.119 50 0 FKAAMO Clc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2ccco2)o1 ZINC000020875715 526924231 /nfs/dbraw/zinc/92/42/31/526924231.db2.gz FXCIMZAEDKKJFX-UHFFFAOYSA-N 1 1 366.642 5.245 50 0 FKAAMO CCCOc1ccc(Br)cc1C[NH2+]Cc1ccccc1Cl ZINC000020929189 520325480 /nfs/dbraw/zinc/32/54/80/520325480.db2.gz WQMFBSLUDDIBBD-UHFFFAOYSA-N 1 1 368.702 5.181 50 0 FKAAMO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1Cl ZINC000020930071 520297327 /nfs/dbraw/zinc/29/73/27/520297327.db2.gz TXYHQZYZJZYFNZ-UHFFFAOYSA-N 1 1 358.696 5.725 50 0 FKAAMO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1OC ZINC000020930384 520296939 /nfs/dbraw/zinc/29/69/39/520296939.db2.gz BGNSRKRQGLCVFT-UHFFFAOYSA-N 1 1 354.277 5.081 50 0 FKAAMO COc1ccc(C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C2CC2)cc1 ZINC000020951807 524015735 /nfs/dbraw/zinc/01/57/35/524015735.db2.gz HBPXLDGAWAUQML-UHFFFAOYSA-N 1 1 368.864 5.168 50 0 FKAAMO COc1ccc(C[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C2CC2)cc1 ZINC000020951807 524015732 /nfs/dbraw/zinc/01/57/32/524015732.db2.gz HBPXLDGAWAUQML-UHFFFAOYSA-N 1 1 368.864 5.168 50 0 FKAAMO CCn1cc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c2cc(OC)ccc21 ZINC000021719738 570933270 /nfs/dbraw/zinc/93/32/70/570933270.db2.gz XQVSPNAPJRFTGS-OAQYLSRUSA-N 1 1 367.493 5.118 50 0 FKAAMO CCn1cc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c2cc(OC)ccc21 ZINC000021719738 570933268 /nfs/dbraw/zinc/93/32/68/570933268.db2.gz XQVSPNAPJRFTGS-OAQYLSRUSA-N 1 1 367.493 5.118 50 0 FKAAMO CCn1cc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)c2cc(OC)ccc21 ZINC000021719740 570933489 /nfs/dbraw/zinc/93/34/89/570933489.db2.gz XQVSPNAPJRFTGS-NRFANRHFSA-N 1 1 367.493 5.118 50 0 FKAAMO CCn1cc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)c2cc(OC)ccc21 ZINC000021719740 570933484 /nfs/dbraw/zinc/93/34/84/570933484.db2.gz XQVSPNAPJRFTGS-NRFANRHFSA-N 1 1 367.493 5.118 50 0 FKAAMO CCc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021719987 211323478 /nfs/dbraw/zinc/32/34/78/211323478.db2.gz RTNGVQRHSHRLQG-HXUWFJFHSA-N 1 1 364.493 5.088 50 0 FKAAMO CCc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021719987 211323475 /nfs/dbraw/zinc/32/34/75/211323475.db2.gz RTNGVQRHSHRLQG-HXUWFJFHSA-N 1 1 364.493 5.088 50 0 FKAAMO CCc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021719989 570933314 /nfs/dbraw/zinc/93/33/14/570933314.db2.gz RTNGVQRHSHRLQG-FQEVSTJZSA-N 1 1 364.493 5.088 50 0 FKAAMO CCc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021719989 570933313 /nfs/dbraw/zinc/93/33/13/570933313.db2.gz RTNGVQRHSHRLQG-FQEVSTJZSA-N 1 1 364.493 5.088 50 0 FKAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1C ZINC000021720019 570933386 /nfs/dbraw/zinc/93/33/86/570933386.db2.gz LDFCNIUBDOKACH-FQEVSTJZSA-N 1 1 364.493 5.142 50 0 FKAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1C ZINC000021720019 570933383 /nfs/dbraw/zinc/93/33/83/570933383.db2.gz LDFCNIUBDOKACH-FQEVSTJZSA-N 1 1 364.493 5.142 50 0 FKAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1C ZINC000021720021 570933265 /nfs/dbraw/zinc/93/32/65/570933265.db2.gz LDFCNIUBDOKACH-HXUWFJFHSA-N 1 1 364.493 5.142 50 0 FKAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1C ZINC000021720021 570933263 /nfs/dbraw/zinc/93/32/63/570933263.db2.gz LDFCNIUBDOKACH-HXUWFJFHSA-N 1 1 364.493 5.142 50 0 FKAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000021720131 570933447 /nfs/dbraw/zinc/93/34/47/570933447.db2.gz QCTQCUFSUQGRPC-QFIPXVFZSA-N 1 1 362.473 5.208 50 0 FKAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000021720133 211322862 /nfs/dbraw/zinc/32/28/62/211322862.db2.gz QCTQCUFSUQGRPC-JOCHJYFZSA-N 1 1 362.473 5.208 50 0 FKAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000021720218 211323818 /nfs/dbraw/zinc/32/38/18/211323818.db2.gz DNSNPEIOCXNZSA-QFIPXVFZSA-N 1 1 362.473 5.208 50 0 FKAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000021720220 570933306 /nfs/dbraw/zinc/93/33/06/570933306.db2.gz DNSNPEIOCXNZSA-JOCHJYFZSA-N 1 1 362.473 5.208 50 0 FKAAMO CCOc1cc(C[N@H+]2CCC[C@@H]2c2c(C)noc2CC)ccc1OC(C)C ZINC000021720795 220364325 /nfs/dbraw/zinc/36/43/25/220364325.db2.gz GVLLFSJFEZSUGE-GOSISDBHSA-N 1 1 372.509 5.068 50 0 FKAAMO CCOc1cc(C[N@H+]2CCC[C@H]2c2c(C)noc2CC)ccc1OC(C)C ZINC000021720797 206361385 /nfs/dbraw/zinc/36/13/85/206361385.db2.gz GVLLFSJFEZSUGE-SFHVURJKSA-N 1 1 372.509 5.068 50 0 FKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CC2)cc1 ZINC000021797915 571138973 /nfs/dbraw/zinc/13/89/73/571138973.db2.gz SAUAEJLEHCUMCM-UHFFFAOYSA-N 1 1 360.848 5.315 50 0 FKAAMO CC[C@@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000021797919 571139097 /nfs/dbraw/zinc/13/90/97/571139097.db2.gz PSDACQZTEQMPEC-OAHLLOKOSA-N 1 1 360.436 5.437 50 0 FKAAMO CC[C@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000021797923 220367250 /nfs/dbraw/zinc/36/72/50/220367250.db2.gz PSDACQZTEQMPEC-HNNXBMFYSA-N 1 1 360.436 5.437 50 0 FKAAMO CCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1C ZINC000021797947 571138964 /nfs/dbraw/zinc/13/89/64/571138964.db2.gz DAKOTXJCJCCARG-UHFFFAOYSA-N 1 1 356.473 5.608 50 0 FKAAMO Clc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NC1CC1 ZINC000021798068 220367571 /nfs/dbraw/zinc/36/75/71/220367571.db2.gz YVGASEVUUZNDRD-UHFFFAOYSA-N 1 1 360.848 5.315 50 0 FKAAMO Clc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCCC1 ZINC000021798115 571336014 /nfs/dbraw/zinc/33/60/14/571336014.db2.gz KWRRPBMDUKRXKL-UHFFFAOYSA-N 1 1 374.875 5.341 50 0 FKAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NCC(C)C ZINC000021798162 211325410 /nfs/dbraw/zinc/32/54/10/211325410.db2.gz 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ZINC000022078499 571125819 /nfs/dbraw/zinc/12/58/19/571125819.db2.gz FMVHYYDTTWYONL-IZTPNPOGSA-N 1 1 366.593 5.442 50 0 FKAAMO c1ccc(C2CCC(N3CC[N@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)CC2)cc1 ZINC000022078502 220377464 /nfs/dbraw/zinc/37/74/64/220377464.db2.gz FMVHYYDTTWYONL-QYYDGCESSA-N 1 1 366.593 5.442 50 0 FKAAMO O=C(CC[N@H+]1CCC[C@@H]1c1cccs1)Nc1cc(Cl)ccc1Cl ZINC000022199312 206369459 /nfs/dbraw/zinc/36/94/59/206369459.db2.gz BYYSHIMOMKDGCU-OAHLLOKOSA-N 1 1 369.317 5.221 50 0 FKAAMO O=C(CC[N@H+]1CCC[C@H]1c1cccs1)Nc1cc(Cl)ccc1Cl ZINC000022199316 220378975 /nfs/dbraw/zinc/37/89/75/220378975.db2.gz BYYSHIMOMKDGCU-HNNXBMFYSA-N 1 1 369.317 5.221 50 0 FKAAMO C[C@H](c1cccs1)[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000022200069 211340226 /nfs/dbraw/zinc/34/02/26/211340226.db2.gz CINVRVUNMMBWNM-LLVKDONJSA-N 1 1 357.306 5.077 50 0 FKAAMO C[C@@H](c1cccs1)[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000022200074 204771335 /nfs/dbraw/zinc/77/13/35/204771335.db2.gz CINVRVUNMMBWNM-NSHDSACASA-N 1 1 357.306 5.077 50 0 FKAAMO Clc1ccc(CC[NH+](Cc2ccco2)Cc2ccco2)c(Cl)c1 ZINC000022215535 570940905 /nfs/dbraw/zinc/94/09/05/570940905.db2.gz CLHYKSGIOQFKNW-UHFFFAOYSA-N 1 1 350.245 5.424 50 0 FKAAMO CCC[C@@H](C)C(=O)Nc1ccc2[nH]cc(CC[N@@H+](CCC)CC3CC3)c2c1 ZINC000022336647 571201646 /nfs/dbraw/zinc/20/16/46/571201646.db2.gz RNUWSWKSJQGCEE-QGZVFWFLSA-N 1 1 369.553 5.207 50 0 FKAAMO CCC[C@H](C)C(=O)Nc1ccc2[nH]cc(CC[N@@H+](CCC)CC3CC3)c2c1 ZINC000022336650 211346478 /nfs/dbraw/zinc/34/64/78/211346478.db2.gz RNUWSWKSJQGCEE-KRWDZBQOSA-N 1 1 369.553 5.207 50 0 FKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)C(CC)CC)cc12)CC1CC1 ZINC000022337199 571201650 /nfs/dbraw/zinc/20/16/50/571201650.db2.gz FBJNHFBKJRBEGA-UHFFFAOYSA-N 1 1 369.553 5.207 50 0 FKAAMO CCCCC[N@@H+](C)Cc1csc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000022347364 571201926 /nfs/dbraw/zinc/20/19/26/571201926.db2.gz KVXMDLUNQMKYBU-UHFFFAOYSA-N 1 1 357.350 5.663 50 0 FKAAMO CCCCC[N@H+](C)Cc1csc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000022347364 571201924 /nfs/dbraw/zinc/20/19/24/571201924.db2.gz KVXMDLUNQMKYBU-UHFFFAOYSA-N 1 1 357.350 5.663 50 0 FKAAMO Cc1ccc(C[NH2+][C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000022374359 570943475 /nfs/dbraw/zinc/94/34/75/570943475.db2.gz PPDBZZOJSLLNOE-HSZRJFAPSA-N 1 1 354.453 5.190 50 0 FKAAMO Cc1ccc(C[NH2+][C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000022374365 211347644 /nfs/dbraw/zinc/34/76/44/211347644.db2.gz PPDBZZOJSLLNOE-QHCPKHFHSA-N 1 1 354.453 5.190 50 0 FKAAMO c1ccc(C[N@H+]2CCc3nc4ccccc4c(-c4ccccc4)c3C2)cc1 ZINC000022460367 211350819 /nfs/dbraw/zinc/35/08/19/211350819.db2.gz CQCUPGREFRRZPA-UHFFFAOYSA-N 1 1 350.465 5.460 50 0 FKAAMO c1ccc(C[N@@H+]2CCc3nc4ccccc4c(-c4ccccc4)c3C2)cc1 ZINC000022460367 211350816 /nfs/dbraw/zinc/35/08/16/211350816.db2.gz CQCUPGREFRRZPA-UHFFFAOYSA-N 1 1 350.465 5.460 50 0 FKAAMO c1ccc(C2CCC(N3CC[N@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)CC2)cc1 ZINC000022587965 220391707 /nfs/dbraw/zinc/39/17/07/220391707.db2.gz FMVHYYDTTWYONL-JNDMAISQSA-N 1 1 366.593 5.442 50 0 FKAAMO Clc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1Cl ZINC000022852731 570694557 /nfs/dbraw/zinc/69/45/57/570694557.db2.gz LCFUPXYGWYPSEN-CQSZACIVSA-N 1 1 360.288 5.249 50 0 FKAAMO Clc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1Cl ZINC000022852734 570694822 /nfs/dbraw/zinc/69/48/22/570694822.db2.gz LCFUPXYGWYPSEN-AWEZNQCLSA-N 1 1 360.288 5.249 50 0 FKAAMO Cc1oc(-c2cccc(F)c2)nc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000023129168 570956902 /nfs/dbraw/zinc/95/69/02/570956902.db2.gz PWAZOVBOIJHBPA-LJQANCHMSA-N 1 1 350.437 5.169 50 0 FKAAMO Cc1oc(-c2cccc(F)c2)nc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000023129169 570957068 /nfs/dbraw/zinc/95/70/68/570957068.db2.gz PWAZOVBOIJHBPA-IBGZPJMESA-N 1 1 350.437 5.169 50 0 FKAAMO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccsc3)C2)cc1 ZINC000023129658 570957006 /nfs/dbraw/zinc/95/70/06/570957006.db2.gz MXIJYJZMJVHZGQ-MRXNPFEDSA-N 1 1 357.910 5.171 50 0 FKAAMO Clc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3ccsc3)C2)cc1 ZINC000023129659 211378717 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Cc1ccc(-c2nc(C[N@H+](C)Cc3cc4ccccc4s3)c(C)o2)o1 ZINC000023505129 570964444 /nfs/dbraw/zinc/96/44/44/570964444.db2.gz UPRIVYGKIMVFTG-UHFFFAOYSA-N 1 1 352.459 5.398 50 0 FKAAMO C[N@@H+](Cc1coc(-c2cccs2)n1)C(c1ccccc1)c1ccccc1 ZINC000023705509 570966773 /nfs/dbraw/zinc/96/67/73/570966773.db2.gz SXHPRZQYVBYSTF-UHFFFAOYSA-N 1 1 360.482 5.625 50 0 FKAAMO C[N@H+](Cc1coc(-c2cccs2)n1)C(c1ccccc1)c1ccccc1 ZINC000023705509 570966768 /nfs/dbraw/zinc/96/67/68/570966768.db2.gz SXHPRZQYVBYSTF-UHFFFAOYSA-N 1 1 360.482 5.625 50 0 FKAAMO c1ccc2sc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)nc2c1 ZINC000023935381 570546231 /nfs/dbraw/zinc/54/62/31/570546231.db2.gz ZMLFHGNWIPDOBX-UHFFFAOYSA-N 1 1 365.527 5.286 50 0 FKAAMO Cc1cc(C)c(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)c(Cl)c1 ZINC000024673667 570979576 /nfs/dbraw/zinc/97/95/76/570979576.db2.gz YAXRKQRFEBTTGX-KRWDZBQOSA-N 1 1 370.924 5.196 50 0 FKAAMO Cc1cc(C)c(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)c(Cl)c1 ZINC000024673672 570979360 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COc1ccccc1C[N@@H+](Cc1cccs1)Cc1cccc2cccnc21 ZINC000025810055 571000552 /nfs/dbraw/zinc/00/05/52/571000552.db2.gz FWIXRGYOXDITCP-UHFFFAOYSA-N 1 1 374.509 5.507 50 0 FKAAMO Clc1cc(C[NH2+]Cc2ccco2)cc(Cl)c1OCc1ccccc1 ZINC000028428351 571032523 /nfs/dbraw/zinc/03/25/23/571032523.db2.gz ZBCTZARSSQTJOA-UHFFFAOYSA-N 1 1 362.256 5.455 50 0 FKAAMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2coc(-c3cccc(F)c3)n2)cc1 ZINC000028962782 571035982 /nfs/dbraw/zinc/03/59/82/571035982.db2.gz SYZYEEBRZXEETC-NRFANRHFSA-N 1 1 366.436 5.217 50 0 FKAAMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2coc(-c3cccc(F)c3)n2)cc1 ZINC000028962782 571035981 /nfs/dbraw/zinc/03/59/81/571035981.db2.gz SYZYEEBRZXEETC-NRFANRHFSA-N 1 1 366.436 5.217 50 0 FKAAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2coc(-c3cccc(F)c3)n2)cc1 ZINC000028962787 571036055 /nfs/dbraw/zinc/03/60/55/571036055.db2.gz SYZYEEBRZXEETC-OAQYLSRUSA-N 1 1 366.436 5.217 50 0 FKAAMO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2coc(-c3cccc(F)c3)n2)cc1 ZINC000028962787 571036049 /nfs/dbraw/zinc/03/60/49/571036049.db2.gz SYZYEEBRZXEETC-OAQYLSRUSA-N 1 1 366.436 5.217 50 0 FKAAMO C[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000029482593 571040366 /nfs/dbraw/zinc/04/03/66/571040366.db2.gz KCKZKMSBPQAGKU-JOCHJYFZSA-N 1 1 372.468 5.037 50 0 FKAAMO C[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)[C@H]1CCc2ccccc21 ZINC000029482595 571040415 /nfs/dbraw/zinc/04/04/15/571040415.db2.gz KCKZKMSBPQAGKU-QFIPXVFZSA-N 1 1 372.468 5.037 50 0 FKAAMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000029484045 571040474 /nfs/dbraw/zinc/04/04/74/571040474.db2.gz HTPSAVZYBUWONZ-JOCHJYFZSA-N 1 1 364.533 5.491 50 0 FKAAMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029484048 571040441 /nfs/dbraw/zinc/04/04/41/571040441.db2.gz HTPSAVZYBUWONZ-QFIPXVFZSA-N 1 1 364.533 5.491 50 0 FKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCC(O)(c1ccccc1)c1ccccc1 ZINC000029551818 571342673 /nfs/dbraw/zinc/34/26/73/571342673.db2.gz KUFREUPVXVHBCT-OYRHEFFESA-N 1 1 351.534 5.356 50 0 FKAAMO Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000030005728 571045519 /nfs/dbraw/zinc/04/55/19/571045519.db2.gz BVLUCCZKNJWURU-CYBMUJFWSA-N 1 1 352.459 5.651 50 0 FKAAMO Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000030005728 571045517 /nfs/dbraw/zinc/04/55/17/571045517.db2.gz BVLUCCZKNJWURU-CYBMUJFWSA-N 1 1 352.459 5.651 50 0 FKAAMO Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000030005730 571045582 /nfs/dbraw/zinc/04/55/82/571045582.db2.gz BVLUCCZKNJWURU-ZDUSSCGKSA-N 1 1 352.459 5.651 50 0 FKAAMO Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000030005730 571045579 /nfs/dbraw/zinc/04/55/79/571045579.db2.gz BVLUCCZKNJWURU-ZDUSSCGKSA-N 1 1 352.459 5.651 50 0 FKAAMO CCc1ccc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1 ZINC000032716526 570777971 /nfs/dbraw/zinc/77/79/71/570777971.db2.gz YZSRNWCZNINTJU-UHFFFAOYSA-N 1 1 350.506 5.266 50 0 FKAAMO Cc1cc2oc(=O)cc(C[N@H+](C)[C@H](C)c3cc4ccccc4o3)c2cc1C ZINC000032754477 570794481 /nfs/dbraw/zinc/79/44/81/570794481.db2.gz GYMDJKKZVBQKDU-MRXNPFEDSA-N 1 1 361.441 5.349 50 0 FKAAMO Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H](C)c3cc4ccccc4o3)c2cc1C ZINC000032754478 570794370 /nfs/dbraw/zinc/79/43/70/570794370.db2.gz GYMDJKKZVBQKDU-INIZCTEOSA-N 1 1 361.441 5.349 50 0 FKAAMO Cc1cccc(-c2nnc([C@@H](C)[NH2+][C@@H](C)c3cccc4ccccc43)o2)c1 ZINC000032759507 220677453 /nfs/dbraw/zinc/67/74/53/220677453.db2.gz DWIAPBSJBLMDOX-DLBZAZTESA-N 1 1 357.457 5.610 50 0 FKAAMO Cc1cccc(-c2nnc([C@H](C)[NH2+][C@@H](C)c3cccc4ccccc43)o2)c1 ZINC000032759510 570793298 /nfs/dbraw/zinc/79/32/98/570793298.db2.gz DWIAPBSJBLMDOX-IRXDYDNUSA-N 1 1 357.457 5.610 50 0 FKAAMO Cc1cccc(-c2nnc([C@@H](C)[NH2+][C@H](C)c3cccc4ccccc43)o2)c1 ZINC000032759513 570793383 /nfs/dbraw/zinc/79/33/83/570793383.db2.gz DWIAPBSJBLMDOX-IAGOWNOFSA-N 1 1 357.457 5.610 50 0 FKAAMO Cc1cccc(-c2nnc([C@H](C)[NH2+][C@H](C)c3cccc4ccccc43)o2)c1 ZINC000032759515 570793261 /nfs/dbraw/zinc/79/32/61/570793261.db2.gz DWIAPBSJBLMDOX-SJORKVTESA-N 1 1 357.457 5.610 50 0 FKAAMO Fc1ccc(C[NH2+][C@H](c2cccs2)c2ccc3c(c2)CCC3)c(F)c1 ZINC000032845180 570820987 /nfs/dbraw/zinc/82/09/87/570820987.db2.gz WLGMCRKDYDZHPO-NRFANRHFSA-N 1 1 355.453 5.394 50 0 FKAAMO Fc1ccc(C[NH2+][C@@H](c2cccs2)c2ccc3c(c2)CCC3)c(F)c1 ZINC000032845182 570820947 /nfs/dbraw/zinc/82/09/47/570820947.db2.gz WLGMCRKDYDZHPO-OAQYLSRUSA-N 1 1 355.453 5.394 50 0 FKAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000032903623 570842207 /nfs/dbraw/zinc/84/22/07/570842207.db2.gz JSTUUSQSFHZUTG-UHFFFAOYSA-N 1 1 362.926 5.418 50 0 FKAAMO Cc1ccc(C(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000032960947 571067834 /nfs/dbraw/zinc/06/78/34/571067834.db2.gz HULZROPCKCXYNP-UHFFFAOYSA-N 1 1 369.468 5.217 50 0 FKAAMO Cc1ccc2nc(CCc3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1 ZINC000032960951 571067845 /nfs/dbraw/zinc/06/78/45/571067845.db2.gz WXHPZTDFXVVPJQ-UHFFFAOYSA-N 1 1 361.489 5.175 50 0 FKAAMO Cc1ccc2nc(CCc3ccc(NC(=O)CC4CCCC4)cc3)[nH]c2c1 ZINC000032960956 571067898 /nfs/dbraw/zinc/06/78/98/571067898.db2.gz DZERBRZWUUPASH-UHFFFAOYSA-N 1 1 361.489 5.175 50 0 FKAAMO Cc1ccc2nc(CCc3ccc(NC(=O)c4ccc(F)cc4)cc3)[nH]c2c1 ZINC000032960997 571067989 /nfs/dbraw/zinc/06/79/89/571067989.db2.gz HZLYZADIBBXRHN-UHFFFAOYSA-N 1 1 373.431 5.048 50 0 FKAAMO Cc1ccc2nc(CCc3ccc(NC(=O)c4cccc(F)c4)cc3)[nH]c2c1 ZINC000032961001 571067871 /nfs/dbraw/zinc/06/78/71/571067871.db2.gz CTVMJUUXBFDXFB-UHFFFAOYSA-N 1 1 373.431 5.048 50 0 FKAAMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)oc2c(C)cc(C)cc12 ZINC000033018754 571061160 /nfs/dbraw/zinc/06/11/60/571061160.db2.gz FPLDSIPHFQATLW-UHFFFAOYSA-N 1 1 355.865 5.085 50 0 FKAAMO Cc1cc(C)c2oc(=O)cc(C[N@@H+](Cc3ccco3)Cc3ccccc3)c2c1 ZINC000033018761 571061250 /nfs/dbraw/zinc/06/12/50/571061250.db2.gz DXPOZTFUEXSLGM-UHFFFAOYSA-N 1 1 373.452 5.205 50 0 FKAAMO Cc1cc(C)c2oc(=O)cc(C[N@H+](Cc3ccco3)Cc3ccccc3)c2c1 ZINC000033018761 571061248 /nfs/dbraw/zinc/06/12/48/571061248.db2.gz DXPOZTFUEXSLGM-UHFFFAOYSA-N 1 1 373.452 5.205 50 0 FKAAMO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087074 571062066 /nfs/dbraw/zinc/06/20/66/571062066.db2.gz PFCQQTYYXOOKFI-GOSISDBHSA-N 1 1 355.482 5.395 50 0 FKAAMO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087075 571062062 /nfs/dbraw/zinc/06/20/62/571062062.db2.gz PFCQQTYYXOOKFI-SFHVURJKSA-N 1 1 355.482 5.395 50 0 FKAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087076 571062045 /nfs/dbraw/zinc/06/20/45/571062045.db2.gz RWKALEUFIYHCAG-LJQANCHMSA-N 1 1 367.518 5.264 50 0 FKAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087077 208071878 /nfs/dbraw/zinc/07/18/78/208071878.db2.gz RWKALEUFIYHCAG-IBGZPJMESA-N 1 1 367.518 5.264 50 0 FKAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087090 571061976 /nfs/dbraw/zinc/06/19/76/571061976.db2.gz FIIKCJRQASLZLQ-LJQANCHMSA-N 1 1 351.519 5.564 50 0 FKAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087091 571061988 /nfs/dbraw/zinc/06/19/88/571061988.db2.gz FIIKCJRQASLZLQ-IBGZPJMESA-N 1 1 351.519 5.564 50 0 FKAAMO Cc1ccsc1[C@H]1CCCCC[N@H+]1Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000033087092 571061920 /nfs/dbraw/zinc/06/19/20/571061920.db2.gz MZWZWXURZPJETO-HXUWFJFHSA-N 1 1 365.546 5.872 50 0 FKAAMO Cc1ccsc1[C@@H]1CCCCC[N@H+]1Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000033087093 571062139 /nfs/dbraw/zinc/06/21/39/571062139.db2.gz MZWZWXURZPJETO-FQEVSTJZSA-N 1 1 365.546 5.872 50 0 FKAAMO Brc1ccccc1C[N@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087094 571062075 /nfs/dbraw/zinc/06/20/75/571062075.db2.gz ADAORSPBVYFTEU-MRXNPFEDSA-N 1 1 350.325 5.628 50 0 FKAAMO Brc1ccccc1C[N@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087095 571061871 /nfs/dbraw/zinc/06/18/71/571061871.db2.gz ADAORSPBVYFTEU-INIZCTEOSA-N 1 1 350.325 5.628 50 0 FKAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)cc2)c(OC)c1OC ZINC000033087122 208070224 /nfs/dbraw/zinc/07/02/24/208070224.db2.gz NVSZFSLMPGRGIW-HXUWFJFHSA-N 1 1 369.505 5.138 50 0 FKAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccc(C)cc2)c(OC)c1OC ZINC000033087123 208071277 /nfs/dbraw/zinc/07/12/77/208071277.db2.gz NVSZFSLMPGRGIW-FQEVSTJZSA-N 1 1 369.505 5.138 50 0 FKAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccc(C)c2)c(OC)c1OC ZINC000033087124 571062040 /nfs/dbraw/zinc/06/20/40/571062040.db2.gz TUTHGVOXZDFYQR-HXUWFJFHSA-N 1 1 369.505 5.138 50 0 FKAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cccc(C)c2)c(OC)c1OC ZINC000033087125 571061860 /nfs/dbraw/zinc/06/18/60/571061860.db2.gz TUTHGVOXZDFYQR-FQEVSTJZSA-N 1 1 369.505 5.138 50 0 FKAAMO Brc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087164 571062080 /nfs/dbraw/zinc/06/20/80/571062080.db2.gz ZHLGCRGUNOLQSX-MRXNPFEDSA-N 1 1 350.325 5.628 50 0 FKAAMO Brc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087165 571061951 /nfs/dbraw/zinc/06/19/51/571061951.db2.gz ZHLGCRGUNOLQSX-INIZCTEOSA-N 1 1 350.325 5.628 50 0 FKAAMO Cc1ccsc1[C@@H]1CCCCC[N@H+]1Cc1ccc(Br)cc1 ZINC000033087166 571062124 /nfs/dbraw/zinc/06/21/24/571062124.db2.gz PZOBYTBISMUHJS-KRWDZBQOSA-N 1 1 364.352 5.936 50 0 FKAAMO Cc1ccsc1[C@H]1CCCCC[N@H+]1Cc1ccc(Br)cc1 ZINC000033087167 208070054 /nfs/dbraw/zinc/07/00/54/208070054.db2.gz PZOBYTBISMUHJS-QGZVFWFLSA-N 1 1 364.352 5.936 50 0 FKAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000033087168 571062106 /nfs/dbraw/zinc/06/21/06/571062106.db2.gz YLNUBUBGHDIWFN-HXUWFJFHSA-N 1 1 369.505 5.138 50 0 FKAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCCCC[C@H]1c1ccc(C)cc1 ZINC000033087169 571061896 /nfs/dbraw/zinc/06/18/96/571061896.db2.gz YLNUBUBGHDIWFN-FQEVSTJZSA-N 1 1 369.505 5.138 50 0 FKAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC000033087170 208070600 /nfs/dbraw/zinc/07/06/00/208070600.db2.gz YFYGMRHJNGYQLY-HXUWFJFHSA-N 1 1 369.505 5.138 50 0 FKAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC000033087171 208071523 /nfs/dbraw/zinc/07/15/23/208071523.db2.gz YFYGMRHJNGYQLY-FQEVSTJZSA-N 1 1 369.505 5.138 50 0 FKAAMO Brc1cccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087180 571062057 /nfs/dbraw/zinc/06/20/57/571062057.db2.gz WQAJJQLQDWCGGU-MRXNPFEDSA-N 1 1 350.325 5.628 50 0 FKAAMO Brc1cccc(C[N@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087181 571062084 /nfs/dbraw/zinc/06/20/84/571062084.db2.gz WQAJJQLQDWCGGU-INIZCTEOSA-N 1 1 350.325 5.628 50 0 FKAAMO Cc1ccsc1[C@@H]1CCCCC[N@H+]1Cc1cccc(Br)c1 ZINC000033087182 208070948 /nfs/dbraw/zinc/07/09/48/208070948.db2.gz JHKFFNLLZIDRDU-KRWDZBQOSA-N 1 1 364.352 5.936 50 0 FKAAMO Cc1ccsc1[C@H]1CCCCC[N@H+]1Cc1cccc(Br)c1 ZINC000033087183 208071099 /nfs/dbraw/zinc/07/10/99/208071099.db2.gz JHKFFNLLZIDRDU-QGZVFWFLSA-N 1 1 364.352 5.936 50 0 FKAAMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2cccs2)ccc1OC(C)C ZINC000033087202 571061966 /nfs/dbraw/zinc/06/19/66/571061966.db2.gz CZDFXMQEQNUIHN-GOSISDBHSA-N 1 1 359.535 5.661 50 0 FKAAMO COc1cc(C[N@H+]2CCCCC[C@H]2c2cccs2)ccc1OC(C)C ZINC000033087203 571061842 /nfs/dbraw/zinc/06/18/42/571061842.db2.gz CZDFXMQEQNUIHN-SFHVURJKSA-N 1 1 359.535 5.661 50 0 FKAAMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2sccc2C)ccc1OC(C)C ZINC000033087204 571062018 /nfs/dbraw/zinc/06/20/18/571062018.db2.gz OBOKAZMKCLOBFW-LJQANCHMSA-N 1 1 373.562 5.970 50 0 FKAAMO COc1cc(C[N@H+]2CCCCC[C@H]2c2sccc2C)ccc1OC(C)C ZINC000033087205 571062496 /nfs/dbraw/zinc/06/24/96/571062496.db2.gz OBOKAZMKCLOBFW-IBGZPJMESA-N 1 1 373.562 5.970 50 0 FKAAMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2cccs2)ccc1OCC(C)C ZINC000033087220 571062422 /nfs/dbraw/zinc/06/24/22/571062422.db2.gz KSNWOLNFOKSTMW-LJQANCHMSA-N 1 1 373.562 5.909 50 0 FKAAMO COc1cc(C[N@H+]2CCCCC[C@H]2c2cccs2)ccc1OCC(C)C ZINC000033087221 571062384 /nfs/dbraw/zinc/06/23/84/571062384.db2.gz KSNWOLNFOKSTMW-IBGZPJMESA-N 1 1 373.562 5.909 50 0 FKAAMO Fc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1Br ZINC000033087284 571062354 /nfs/dbraw/zinc/06/23/54/571062354.db2.gz XOHLJPRBHWCZQR-MRXNPFEDSA-N 1 1 368.315 5.767 50 0 FKAAMO Fc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1Br ZINC000033087284 571062349 /nfs/dbraw/zinc/06/23/49/571062349.db2.gz XOHLJPRBHWCZQR-MRXNPFEDSA-N 1 1 368.315 5.767 50 0 FKAAMO Fc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)cc1Br ZINC000033087285 208071766 /nfs/dbraw/zinc/07/17/66/208071766.db2.gz XOHLJPRBHWCZQR-INIZCTEOSA-N 1 1 368.315 5.767 50 0 FKAAMO Fc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1Br ZINC000033087285 208071756 /nfs/dbraw/zinc/07/17/56/208071756.db2.gz XOHLJPRBHWCZQR-INIZCTEOSA-N 1 1 368.315 5.767 50 0 FKAAMO CCc1ccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1 ZINC000033140076 571159116 /nfs/dbraw/zinc/15/91/16/571159116.db2.gz FPKZWQKCTWQKEL-UHFFFAOYSA-N 1 1 371.484 5.409 50 0 FKAAMO CCc1ccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000033140076 571159113 /nfs/dbraw/zinc/15/91/13/571159113.db2.gz FPKZWQKCTWQKEL-UHFFFAOYSA-N 1 1 371.484 5.409 50 0 FKAAMO Cc1cccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c1C ZINC000033140078 571159160 /nfs/dbraw/zinc/15/91/60/571159160.db2.gz BHYQJPHHRAGTCX-UHFFFAOYSA-N 1 1 371.484 5.463 50 0 FKAAMO Cc1cccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c1C ZINC000033140078 571159156 /nfs/dbraw/zinc/15/91/56/571159156.db2.gz BHYQJPHHRAGTCX-UHFFFAOYSA-N 1 1 371.484 5.463 50 0 FKAAMO Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1C ZINC000033140080 571159169 /nfs/dbraw/zinc/15/91/69/571159169.db2.gz CQMQAUCLAJJHME-UHFFFAOYSA-N 1 1 371.484 5.463 50 0 FKAAMO Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1C ZINC000033140080 571159166 /nfs/dbraw/zinc/15/91/66/571159166.db2.gz CQMQAUCLAJJHME-UHFFFAOYSA-N 1 1 371.484 5.463 50 0 FKAAMO Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c1 ZINC000033140081 571159221 /nfs/dbraw/zinc/15/92/21/571159221.db2.gz LFLPOMSHYOTASG-UHFFFAOYSA-N 1 1 371.484 5.463 50 0 FKAAMO Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c1 ZINC000033140081 571159218 /nfs/dbraw/zinc/15/92/18/571159218.db2.gz LFLPOMSHYOTASG-UHFFFAOYSA-N 1 1 371.484 5.463 50 0 FKAAMO Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c1 ZINC000033140082 571159257 /nfs/dbraw/zinc/15/92/57/571159257.db2.gz ZBZVFZGWVZVTPF-UHFFFAOYSA-N 1 1 371.484 5.463 50 0 FKAAMO Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c1 ZINC000033140082 571159254 /nfs/dbraw/zinc/15/92/54/571159254.db2.gz ZBZVFZGWVZVTPF-UHFFFAOYSA-N 1 1 371.484 5.463 50 0 FKAAMO Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1 ZINC000033140087 571159297 /nfs/dbraw/zinc/15/92/97/571159297.db2.gz PIDVYOZBWOXLBF-UHFFFAOYSA-N 1 1 357.457 5.155 50 0 FKAAMO Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000033140087 571159295 /nfs/dbraw/zinc/15/92/95/571159295.db2.gz PIDVYOZBWOXLBF-UHFFFAOYSA-N 1 1 357.457 5.155 50 0 FKAAMO Cc1ccccc1NC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000033140088 568463553 /nfs/dbraw/zinc/46/35/53/568463553.db2.gz GNAPOMIYVDHXGX-UHFFFAOYSA-N 1 1 357.457 5.155 50 0 FKAAMO Cc1ccccc1NC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000033140088 568463551 /nfs/dbraw/zinc/46/35/51/568463551.db2.gz GNAPOMIYVDHXGX-UHFFFAOYSA-N 1 1 357.457 5.155 50 0 FKAAMO Cc1cccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c1 ZINC000033140097 571159181 /nfs/dbraw/zinc/15/91/81/571159181.db2.gz BETKSDDWGWYOLO-UHFFFAOYSA-N 1 1 357.457 5.155 50 0 FKAAMO Cc1cccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c1 ZINC000033140097 571159178 /nfs/dbraw/zinc/15/91/78/571159178.db2.gz BETKSDDWGWYOLO-UHFFFAOYSA-N 1 1 357.457 5.155 50 0 FKAAMO CCc1ccccc1NC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000033140099 571159098 /nfs/dbraw/zinc/15/90/98/571159098.db2.gz BHQWRXUEHLSIGX-UHFFFAOYSA-N 1 1 371.484 5.409 50 0 FKAAMO CCc1ccccc1NC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000033140099 571159095 /nfs/dbraw/zinc/15/90/95/571159095.db2.gz BHQWRXUEHLSIGX-UHFFFAOYSA-N 1 1 371.484 5.409 50 0 FKAAMO Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c(C)c1 ZINC000033140100 208074440 /nfs/dbraw/zinc/07/44/40/208074440.db2.gz ZSPKCAAIXFDCTM-UHFFFAOYSA-N 1 1 371.484 5.463 50 0 FKAAMO Cc1ccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c(C)c1 ZINC000033140100 208074439 /nfs/dbraw/zinc/07/44/39/208074439.db2.gz ZSPKCAAIXFDCTM-UHFFFAOYSA-N 1 1 371.484 5.463 50 0 FKAAMO Clc1ccc([C@H](c2nnc(-c3ccccc3)o2)[NH+]2CCCCCC2)cc1 ZINC000033268278 571203380 /nfs/dbraw/zinc/20/33/80/571203380.db2.gz JYMGBFKLBQQEHB-LJQANCHMSA-N 1 1 367.880 5.355 50 0 FKAAMO Clc1ccc([C@@H](c2nnc(-c3ccccc3)o2)[NH+]2CCCCCC2)cc1 ZINC000033268279 208078783 /nfs/dbraw/zinc/07/87/83/208078783.db2.gz JYMGBFKLBQQEHB-IBGZPJMESA-N 1 1 367.880 5.355 50 0 FKAAMO Brc1ccc2[nH]cc(C3=CC[N@@H+](Cc4ccccc4)CC3)c2c1 ZINC000034287700 571068450 /nfs/dbraw/zinc/06/84/50/571068450.db2.gz JUYNGLUHLPFYPP-UHFFFAOYSA-N 1 1 367.290 5.220 50 0 FKAAMO c1ccc(C(c2ccccc2)[NH+]2CC(Oc3cccc4ccccc43)C2)cc1 ZINC000034549480 571308553 /nfs/dbraw/zinc/30/85/53/571308553.db2.gz XUKPDISQHWQWOX-UHFFFAOYSA-N 1 1 365.476 5.692 50 0 FKAAMO C[N@@H+](Cc1ccccc1)Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000034670289 570527097 /nfs/dbraw/zinc/52/70/97/570527097.db2.gz KDEWNARIZUXXRZ-UHFFFAOYSA-N 1 1 356.391 5.399 50 0 FKAAMO C[N@@H+](Cc1ccccc1)Cc1cncc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000034670337 570527075 /nfs/dbraw/zinc/52/70/75/570527075.db2.gz XKOHPILAXIBOMN-UHFFFAOYSA-N 1 1 357.284 5.687 50 0 FKAAMO C[N@@H+](Cc1ccccc1)Cc1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000034670374 570527119 /nfs/dbraw/zinc/52/71/19/570527119.db2.gz GQISWGZOWQXFNX-UHFFFAOYSA-N 1 1 364.492 6.048 50 0 FKAAMO CCn1cc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c2cc(OC)ccc21 ZINC000035453902 571076765 /nfs/dbraw/zinc/07/67/65/571076765.db2.gz CZFDMVUWDPBZRE-OAQYLSRUSA-N 1 1 367.493 5.118 50 0 FKAAMO CCn1cc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)c2cc(OC)ccc21 ZINC000035453905 571076771 /nfs/dbraw/zinc/07/67/71/571076771.db2.gz CZFDMVUWDPBZRE-NRFANRHFSA-N 1 1 367.493 5.118 50 0 FKAAMO CCOC(=O)CC1=CC(SCc2ccccc2C)=[NH+]c2ccccc2N1 ZINC000035480706 571174421 /nfs/dbraw/zinc/17/44/21/571174421.db2.gz CDSCQQWAUCYIKR-UHFFFAOYSA-N 1 1 366.486 5.221 50 0 FKAAMO CCOC(=O)CC1=CC(SCc2cccc(C)c2)=[NH+]c2ccccc2N1 ZINC000035480708 571174489 /nfs/dbraw/zinc/17/44/89/571174489.db2.gz ITEJIOGFTIGPKK-UHFFFAOYSA-N 1 1 366.486 5.221 50 0 FKAAMO CCOC(=O)CC1=CC(SCc2ccc(C)cc2)=[NH+]c2ccccc2N1 ZINC000035480710 208126110 /nfs/dbraw/zinc/12/61/10/208126110.db2.gz BFADNRKOXJXUPZ-UHFFFAOYSA-N 1 1 366.486 5.221 50 0 FKAAMO CCOc1cc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)ccc1OC(C)C ZINC000035511269 208129043 /nfs/dbraw/zinc/12/90/43/208129043.db2.gz ARVNFQNGHFDJFT-LJQANCHMSA-N 1 1 372.509 5.321 50 0 FKAAMO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)ccc1OC(C)C ZINC000035511269 208129039 /nfs/dbraw/zinc/12/90/39/208129039.db2.gz ARVNFQNGHFDJFT-LJQANCHMSA-N 1 1 372.509 5.321 50 0 FKAAMO CCOc1cc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)ccc1OC(C)C ZINC000035511270 571076830 /nfs/dbraw/zinc/07/68/30/571076830.db2.gz ARVNFQNGHFDJFT-IBGZPJMESA-N 1 1 372.509 5.321 50 0 FKAAMO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)ccc1OC(C)C ZINC000035511270 571076829 /nfs/dbraw/zinc/07/68/29/571076829.db2.gz ARVNFQNGHFDJFT-IBGZPJMESA-N 1 1 372.509 5.321 50 0 FKAAMO CCc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000035511273 571076806 /nfs/dbraw/zinc/07/68/06/571076806.db2.gz MTROAVOWWWHYEU-HXUWFJFHSA-N 1 1 364.493 5.088 50 0 FKAAMO CCc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000035511274 571076889 /nfs/dbraw/zinc/07/68/89/571076889.db2.gz MTROAVOWWWHYEU-FQEVSTJZSA-N 1 1 364.493 5.088 50 0 FKAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1C ZINC000035511277 571076919 /nfs/dbraw/zinc/07/69/19/571076919.db2.gz XNUWRHCFNQXSFT-HXUWFJFHSA-N 1 1 364.493 5.142 50 0 FKAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1C ZINC000035511278 571076745 /nfs/dbraw/zinc/07/67/45/571076745.db2.gz XNUWRHCFNQXSFT-FQEVSTJZSA-N 1 1 364.493 5.142 50 0 FKAAMO Cc1ccc(C[N@@H+](CCC(C)C)Cc2cccn2Cc2ccccc2)cc1 ZINC000035840970 571206554 /nfs/dbraw/zinc/20/65/54/571206554.db2.gz NTKXMTXGUCNSDE-UHFFFAOYSA-N 1 1 360.545 5.893 50 0 FKAAMO Cc1ccccc1C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccccc1 ZINC000035840972 571206517 /nfs/dbraw/zinc/20/65/17/571206517.db2.gz VPMYEMQJLLUNLQ-UHFFFAOYSA-N 1 1 360.545 5.893 50 0 FKAAMO CC(C)C[N@@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1 ZINC000035841033 208137921 /nfs/dbraw/zinc/13/79/21/208137921.db2.gz HOPWCKZQXVDJRI-UHFFFAOYSA-N 1 1 350.481 5.334 50 0 FKAAMO Cc1ccc(Cn2cccc2C[N@@H+](Cc2ccccc2C)CC(C)C)cc1 ZINC000035841070 208136868 /nfs/dbraw/zinc/13/68/68/208136868.db2.gz AAXIMTVRHXDECX-UHFFFAOYSA-N 1 1 360.545 5.811 50 0 FKAAMO Cc1ccc(Cn2cccc2C[N@H+](CCC(C)C)Cc2ccccc2C)cc1 ZINC000035841078 571206371 /nfs/dbraw/zinc/20/63/71/571206371.db2.gz QHCOXURUISTEEP-UHFFFAOYSA-N 1 1 374.572 6.202 50 0 FKAAMO Cc1ccc(Cn2cccc2C[N@@H+](Cc2ccc(C)cc2)[C@@H](C)C(C)C)cc1 ZINC000035841080 571206385 /nfs/dbraw/zinc/20/63/85/571206385.db2.gz HDVZFZMFSHXFOJ-QHCPKHFHSA-N 1 1 374.572 6.200 50 0 FKAAMO Cc1ccc(Cn2cccc2C[N@@H+](Cc2ccc(C)cc2)[C@H](C)C(C)C)cc1 ZINC000035841082 571206465 /nfs/dbraw/zinc/20/64/65/571206465.db2.gz HDVZFZMFSHXFOJ-HSZRJFAPSA-N 1 1 374.572 6.200 50 0 FKAAMO Cc1ccccc1Cn1cccc1C[N@H+](CCC(C)C)Cc1ccccc1 ZINC000035841106 571206392 /nfs/dbraw/zinc/20/63/92/571206392.db2.gz XKFCOPXPFNBMCD-UHFFFAOYSA-N 1 1 360.545 5.893 50 0 FKAAMO CC(C)C[N@@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1F ZINC000035841244 208136346 /nfs/dbraw/zinc/13/63/46/208136346.db2.gz MFJMLWXTKZXYTM-UHFFFAOYSA-N 1 1 368.471 5.473 50 0 FKAAMO CC(C)(C)[N@H+]1C[C@H](C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000036046447 571192500 /nfs/dbraw/zinc/19/25/00/571192500.db2.gz XMFSKUXGHWGRAM-BJKOFHAPSA-N 1 1 369.508 6.008 50 0 FKAAMO CCCC(O)(CCC)c1ccc(C[N@@H+](Cc2cccs2)[C@@H](C)CC)o1 ZINC000036157162 571243885 /nfs/dbraw/zinc/24/38/85/571243885.db2.gz NZXPVAIJXIVGNI-KRWDZBQOSA-N 1 1 363.567 5.930 50 0 FKAAMO CCCC(O)(CCC)c1ccc(C[N@@H+](Cc2cccs2)[C@H](C)CC)o1 ZINC000036157166 205007764 /nfs/dbraw/zinc/00/77/64/205007764.db2.gz NZXPVAIJXIVGNI-QGZVFWFLSA-N 1 1 363.567 5.930 50 0 FKAAMO CCC[N@@H+](Cc1ccc(C(O)(CCC)CCC)o1)Cc1ccc(OC)cc1 ZINC000036167687 205006519 /nfs/dbraw/zinc/00/65/19/205006519.db2.gz IHTBUMLOAUINHZ-UHFFFAOYSA-N 1 1 373.537 5.488 50 0 FKAAMO CCCC(O)(CCC)c1ccc(C[N@@H+](Cc2ccc(C)cc2)C(C)C)o1 ZINC000036202788 208148628 /nfs/dbraw/zinc/14/86/28/208148628.db2.gz CMEZDUGDUQQSBE-UHFFFAOYSA-N 1 1 357.538 5.786 50 0 FKAAMO CCCC(O)(CCC)c1ccc(C[N@@H+](Cc2ccccc2C)C(C)C)o1 ZINC000036203259 211655198 /nfs/dbraw/zinc/65/51/98/211655198.db2.gz FEPISRLQCHMBFM-UHFFFAOYSA-N 1 1 357.538 5.786 50 0 FKAAMO CCC[N@@H+](Cc1ccc(C(O)(CCC)CCC)o1)Cc1cccc(OC)c1 ZINC000036203416 571244924 /nfs/dbraw/zinc/24/49/24/571244924.db2.gz SMUOPQOBTOYMMJ-UHFFFAOYSA-N 1 1 373.537 5.488 50 0 FKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000036347250 571248911 /nfs/dbraw/zinc/24/89/11/571248911.db2.gz KMTKZNSYGLPVTA-DEOSSOPVSA-N 1 1 360.501 5.191 50 0 FKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000036347251 571248811 /nfs/dbraw/zinc/24/88/11/571248811.db2.gz KMTKZNSYGLPVTA-XMMPIXPASA-N 1 1 360.501 5.191 50 0 FKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)c(Cl)c2)cc1 ZINC000036347266 571248741 /nfs/dbraw/zinc/24/87/41/571248741.db2.gz ATPPFIOZWHKMFI-JOCHJYFZSA-N 1 1 368.883 5.584 50 0 FKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)c(Cl)c2)cc1 ZINC000036347266 571248739 /nfs/dbraw/zinc/24/87/39/571248739.db2.gz ATPPFIOZWHKMFI-JOCHJYFZSA-N 1 1 368.883 5.584 50 0 FKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)c(Cl)c2)cc1 ZINC000036347267 571248764 /nfs/dbraw/zinc/24/87/64/571248764.db2.gz ATPPFIOZWHKMFI-QFIPXVFZSA-N 1 1 368.883 5.584 50 0 FKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)c(Cl)c2)cc1 ZINC000036347267 571248763 /nfs/dbraw/zinc/24/87/63/571248763.db2.gz ATPPFIOZWHKMFI-QFIPXVFZSA-N 1 1 368.883 5.584 50 0 FKAAMO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000036347356 208156122 /nfs/dbraw/zinc/15/61/22/208156122.db2.gz DGZUCQDVXAIVBO-NRFANRHFSA-N 1 1 370.418 5.502 50 0 FKAAMO FC(F)(F)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000036347357 205010510 /nfs/dbraw/zinc/01/05/10/205010510.db2.gz DGZUCQDVXAIVBO-OAQYLSRUSA-N 1 1 370.418 5.502 50 0 FKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000036347458 208153951 /nfs/dbraw/zinc/15/39/51/208153951.db2.gz DSTPGYRQZDHPCZ-QHCPKHFHSA-N 1 1 364.920 5.699 50 0 FKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000036347459 205010160 /nfs/dbraw/zinc/01/01/60/205010160.db2.gz DSTPGYRQZDHPCZ-HSZRJFAPSA-N 1 1 364.920 5.699 50 0 FKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)c1 ZINC000036347538 571248725 /nfs/dbraw/zinc/24/87/25/571248725.db2.gz CJLSYZXWESHADX-QFIPXVFZSA-N 1 1 350.893 5.445 50 0 FKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Cl)c2)c1 ZINC000036347539 205010411 /nfs/dbraw/zinc/01/04/11/205010411.db2.gz CJLSYZXWESHADX-JOCHJYFZSA-N 1 1 350.893 5.445 50 0 FKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC000036347558 571248700 /nfs/dbraw/zinc/24/87/00/571248700.db2.gz UXXVEYPKTWZADZ-JOCHJYFZSA-N 1 1 366.892 5.145 50 0 FKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000036347558 571248699 /nfs/dbraw/zinc/24/86/99/571248699.db2.gz UXXVEYPKTWZADZ-JOCHJYFZSA-N 1 1 366.892 5.145 50 0 FKAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC000036347559 208155068 /nfs/dbraw/zinc/15/50/68/208155068.db2.gz UXXVEYPKTWZADZ-QFIPXVFZSA-N 1 1 366.892 5.145 50 0 FKAAMO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2Cl)cc1 ZINC000036347559 208155063 /nfs/dbraw/zinc/15/50/63/208155063.db2.gz UXXVEYPKTWZADZ-QFIPXVFZSA-N 1 1 366.892 5.145 50 0 FKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000036347564 571248776 /nfs/dbraw/zinc/24/87/76/571248776.db2.gz FYUBIEZTHYUUBT-JOCHJYFZSA-N 1 1 366.892 5.145 50 0 FKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000036347564 571248775 /nfs/dbraw/zinc/24/87/75/571248775.db2.gz FYUBIEZTHYUUBT-JOCHJYFZSA-N 1 1 366.892 5.145 50 0 FKAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000036347565 571248806 /nfs/dbraw/zinc/24/88/06/571248806.db2.gz FYUBIEZTHYUUBT-QFIPXVFZSA-N 1 1 366.892 5.145 50 0 FKAAMO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000036347565 571248805 /nfs/dbraw/zinc/24/88/05/571248805.db2.gz FYUBIEZTHYUUBT-QFIPXVFZSA-N 1 1 366.892 5.145 50 0 FKAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cc(C)ccc2C)cc1 ZINC000036347576 205010181 /nfs/dbraw/zinc/01/01/81/205010181.db2.gz UIUYVBNKQXQOAY-DEOSSOPVSA-N 1 1 360.501 5.109 50 0 FKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cc(C)ccc2C)cc1 ZINC000036347577 208155718 /nfs/dbraw/zinc/15/57/18/208155718.db2.gz UIUYVBNKQXQOAY-XMMPIXPASA-N 1 1 360.501 5.109 50 0 FKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(OC)cc1 ZINC000036347586 205009930 /nfs/dbraw/zinc/00/99/30/205009930.db2.gz FIIYTBZNBFDICP-DEOSSOPVSA-N 1 1 360.501 5.054 50 0 FKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(OC)cc1 ZINC000036347587 208154021 /nfs/dbraw/zinc/15/40/21/208154021.db2.gz FIIYTBZNBFDICP-XMMPIXPASA-N 1 1 360.501 5.054 50 0 FKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000036347612 571248915 /nfs/dbraw/zinc/24/89/15/571248915.db2.gz SYMSXYAHZSPAJB-QHCPKHFHSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000036347612 571248914 /nfs/dbraw/zinc/24/89/14/571248914.db2.gz SYMSXYAHZSPAJB-QHCPKHFHSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000036347613 208155295 /nfs/dbraw/zinc/15/52/95/208155295.db2.gz SYMSXYAHZSPAJB-HSZRJFAPSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000036347613 208155288 /nfs/dbraw/zinc/15/52/88/208155288.db2.gz SYMSXYAHZSPAJB-HSZRJFAPSA-N 1 1 364.464 5.021 50 0 FKAAMO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000036347624 571248862 /nfs/dbraw/zinc/24/88/62/571248862.db2.gz KXYIDNOBQFBZQO-DEOSSOPVSA-N 1 1 362.492 5.746 50 0 FKAAMO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000036347625 208156466 /nfs/dbraw/zinc/15/64/66/208156466.db2.gz KXYIDNOBQFBZQO-XMMPIXPASA-N 1 1 362.492 5.746 50 0 FKAAMO CCOc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000036347734 571248890 /nfs/dbraw/zinc/24/88/90/571248890.db2.gz YLFLVCJJDJHLEI-XMMPIXPASA-N 1 1 360.501 5.191 50 0 FKAAMO CCOc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000036347735 205009700 /nfs/dbraw/zinc/00/97/00/205009700.db2.gz YLFLVCJJDJHLEI-DEOSSOPVSA-N 1 1 360.501 5.191 50 0 FKAAMO CCOc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000036347737 571248802 /nfs/dbraw/zinc/24/88/02/571248802.db2.gz OEXXMYYCZMPNNK-HSZRJFAPSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000036347737 571248800 /nfs/dbraw/zinc/24/88/00/571248800.db2.gz OEXXMYYCZMPNNK-HSZRJFAPSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000036347738 205010869 /nfs/dbraw/zinc/01/08/69/205010869.db2.gz OEXXMYYCZMPNNK-QHCPKHFHSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000036347738 205010866 /nfs/dbraw/zinc/01/08/66/205010866.db2.gz OEXXMYYCZMPNNK-QHCPKHFHSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2F)cc1 ZINC000036347745 571248919 /nfs/dbraw/zinc/24/89/19/571248919.db2.gz BPBLYVRKCZRZNU-HSZRJFAPSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2F)cc1 ZINC000036347745 571248917 /nfs/dbraw/zinc/24/89/17/571248917.db2.gz BPBLYVRKCZRZNU-HSZRJFAPSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2F)cc1 ZINC000036347746 208155958 /nfs/dbraw/zinc/15/59/58/208155958.db2.gz BPBLYVRKCZRZNU-QHCPKHFHSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2F)cc1 ZINC000036347746 208155953 /nfs/dbraw/zinc/15/59/53/208155953.db2.gz BPBLYVRKCZRZNU-QHCPKHFHSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C)cc1 ZINC000036347755 571248960 /nfs/dbraw/zinc/24/89/60/571248960.db2.gz YILPHCYMHZFQFF-XMMPIXPASA-N 1 1 360.501 5.191 50 0 FKAAMO CCOc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C)cc1 ZINC000036347756 571248999 /nfs/dbraw/zinc/24/89/99/571248999.db2.gz YILPHCYMHZFQFF-DEOSSOPVSA-N 1 1 360.501 5.191 50 0 FKAAMO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2F)cc1 ZINC000036347845 571249026 /nfs/dbraw/zinc/24/90/26/571249026.db2.gz DTLBLBXYCFGDSZ-DEOSSOPVSA-N 1 1 362.492 5.746 50 0 FKAAMO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2F)cc1 ZINC000036347846 205011183 /nfs/dbraw/zinc/01/11/83/205011183.db2.gz DTLBLBXYCFGDSZ-XMMPIXPASA-N 1 1 362.492 5.746 50 0 FKAAMO FC(F)(F)c1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccccc1 ZINC000036347933 205011266 /nfs/dbraw/zinc/01/12/66/205011266.db2.gz OGPYBRYKQSFYOX-OAQYLSRUSA-N 1 1 370.418 5.502 50 0 FKAAMO FC(F)(F)c1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccccc1 ZINC000036347933 205011262 /nfs/dbraw/zinc/01/12/62/205011262.db2.gz OGPYBRYKQSFYOX-OAQYLSRUSA-N 1 1 370.418 5.502 50 0 FKAAMO FC(F)(F)c1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccccc1 ZINC000036347934 571248991 /nfs/dbraw/zinc/24/89/91/571248991.db2.gz OGPYBRYKQSFYOX-NRFANRHFSA-N 1 1 370.418 5.502 50 0 FKAAMO FC(F)(F)c1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccccc1 ZINC000036347934 571248989 /nfs/dbraw/zinc/24/89/89/571248989.db2.gz OGPYBRYKQSFYOX-NRFANRHFSA-N 1 1 370.418 5.502 50 0 FKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000036348013 208153928 /nfs/dbraw/zinc/15/39/28/208153928.db2.gz UFISMVQIGMCTEO-RUZDIDTESA-N 1 1 374.528 5.615 50 0 FKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000036348014 571249089 /nfs/dbraw/zinc/24/90/89/571249089.db2.gz UFISMVQIGMCTEO-VWLOTQADSA-N 1 1 374.528 5.615 50 0 FKAAMO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000036348015 571248983 /nfs/dbraw/zinc/24/89/83/571248983.db2.gz GTJBFKJWIDHLIQ-XMMPIXPASA-N 1 1 362.492 5.746 50 0 FKAAMO CC(C)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000036348016 571249066 /nfs/dbraw/zinc/24/90/66/571249066.db2.gz GTJBFKJWIDHLIQ-DEOSSOPVSA-N 1 1 362.492 5.746 50 0 FKAAMO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2F)cc1 ZINC000036348023 205011052 /nfs/dbraw/zinc/01/10/52/205011052.db2.gz SVCHBOBKCQLYQY-XMMPIXPASA-N 1 1 362.492 5.746 50 0 FKAAMO CC(C)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2F)cc1 ZINC000036348024 208155008 /nfs/dbraw/zinc/15/50/08/208155008.db2.gz SVCHBOBKCQLYQY-DEOSSOPVSA-N 1 1 362.492 5.746 50 0 FKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC000036348043 208156009 /nfs/dbraw/zinc/15/60/09/208156009.db2.gz SXYULXDBRFLCAF-HSZRJFAPSA-N 1 1 364.920 5.699 50 0 FKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2Cl)cc1 ZINC000036348044 571249086 /nfs/dbraw/zinc/24/90/86/571249086.db2.gz SXYULXDBRFLCAF-QHCPKHFHSA-N 1 1 364.920 5.699 50 0 FKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000036348049 571248928 /nfs/dbraw/zinc/24/89/28/571248928.db2.gz LQRMZZGVQPAOEK-HSZRJFAPSA-N 1 1 364.920 5.699 50 0 FKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000036348050 205010360 /nfs/dbraw/zinc/01/03/60/205010360.db2.gz LQRMZZGVQPAOEK-QHCPKHFHSA-N 1 1 364.920 5.699 50 0 FKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(OC)cc2)cc1 ZINC000036348051 571249069 /nfs/dbraw/zinc/24/90/69/571249069.db2.gz SEJUPMIFTQGOQC-XMMPIXPASA-N 1 1 360.501 5.054 50 0 FKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(OC)cc2)cc1 ZINC000036348052 571249005 /nfs/dbraw/zinc/24/90/05/571249005.db2.gz SEJUPMIFTQGOQC-DEOSSOPVSA-N 1 1 360.501 5.054 50 0 FKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2OC)cc1 ZINC000036348057 205010545 /nfs/dbraw/zinc/01/05/45/205010545.db2.gz UJEUBIXIZUOCIA-XMMPIXPASA-N 1 1 360.501 5.054 50 0 FKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2OC)cc1 ZINC000036348058 571248943 /nfs/dbraw/zinc/24/89/43/571248943.db2.gz UJEUBIXIZUOCIA-DEOSSOPVSA-N 1 1 360.501 5.054 50 0 FKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2CC)cc1 ZINC000036348091 571249015 /nfs/dbraw/zinc/24/90/15/571249015.db2.gz ZNLNZLDQAQPNOZ-RUZDIDTESA-N 1 1 358.529 5.608 50 0 FKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2CC)cc1 ZINC000036348092 571249120 /nfs/dbraw/zinc/24/91/20/571249120.db2.gz ZNLNZLDQAQPNOZ-VWLOTQADSA-N 1 1 358.529 5.608 50 0 FKAAMO Cc1ccc(C)c([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2Cl)c1 ZINC000036348111 571249113 /nfs/dbraw/zinc/24/91/13/571249113.db2.gz UDVGIUPZMRKUJU-HSZRJFAPSA-N 1 1 364.920 5.754 50 0 FKAAMO Cc1ccc(C)c([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2Cl)c1 ZINC000036348112 208153451 /nfs/dbraw/zinc/15/34/51/208153451.db2.gz UDVGIUPZMRKUJU-QHCPKHFHSA-N 1 1 364.920 5.754 50 0 FKAAMO CCc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)cc1 ZINC000036348135 205009742 /nfs/dbraw/zinc/00/97/42/205009742.db2.gz WLRMZFSUNFUTQP-VWLOTQADSA-N 1 1 358.529 5.663 50 0 FKAAMO CCc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)cc1 ZINC000036348136 205011407 /nfs/dbraw/zinc/01/14/07/205011407.db2.gz WLRMZFSUNFUTQP-RUZDIDTESA-N 1 1 358.529 5.663 50 0 FKAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c1 ZINC000036348137 571249042 /nfs/dbraw/zinc/24/90/42/571249042.db2.gz QLIMIXPYZUSZKX-XMMPIXPASA-N 1 1 360.501 5.109 50 0 FKAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)c1 ZINC000036348138 205009948 /nfs/dbraw/zinc/00/99/48/205009948.db2.gz QLIMIXPYZUSZKX-DEOSSOPVSA-N 1 1 360.501 5.109 50 0 FKAAMO CCOc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cc(C)ccc1C ZINC000036348145 571248938 /nfs/dbraw/zinc/24/89/38/571248938.db2.gz ALMNICHOCVHPCB-VWLOTQADSA-N 1 1 374.528 5.499 50 0 FKAAMO CCOc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cc(C)ccc1C ZINC000036348146 205011380 /nfs/dbraw/zinc/01/13/80/205011380.db2.gz ALMNICHOCVHPCB-RUZDIDTESA-N 1 1 374.528 5.499 50 0 FKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2F)cc1 ZINC000036348161 205010313 /nfs/dbraw/zinc/01/03/13/205010313.db2.gz QFMGDNSVZDMADR-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2F)cc1 ZINC000036348161 205010311 /nfs/dbraw/zinc/01/03/11/205010311.db2.gz QFMGDNSVZDMADR-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2F)cc1 ZINC000036348162 205010240 /nfs/dbraw/zinc/01/02/40/205010240.db2.gz QFMGDNSVZDMADR-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2F)cc1 ZINC000036348162 205010236 /nfs/dbraw/zinc/01/02/36/205010236.db2.gz QFMGDNSVZDMADR-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(F)cc1F ZINC000036348199 205011206 /nfs/dbraw/zinc/01/12/06/205011206.db2.gz OJNICTMBZCQWMA-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(F)cc1F ZINC000036348199 205011203 /nfs/dbraw/zinc/01/12/03/205011203.db2.gz OJNICTMBZCQWMA-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(F)cc1F ZINC000036348200 571249033 /nfs/dbraw/zinc/24/90/33/571249033.db2.gz OJNICTMBZCQWMA-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(F)cc1F ZINC000036348200 571249031 /nfs/dbraw/zinc/24/90/31/571249031.db2.gz OJNICTMBZCQWMA-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2F)c1 ZINC000036348203 208154952 /nfs/dbraw/zinc/15/49/52/208154952.db2.gz MWCVECOZHGMCGP-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2F)c1 ZINC000036348203 208154944 /nfs/dbraw/zinc/15/49/44/208154944.db2.gz MWCVECOZHGMCGP-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2F)c1 ZINC000036348204 571248956 /nfs/dbraw/zinc/24/89/56/571248956.db2.gz MWCVECOZHGMCGP-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2F)c1 ZINC000036348204 571248954 /nfs/dbraw/zinc/24/89/54/571248954.db2.gz MWCVECOZHGMCGP-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000036348233 571249096 /nfs/dbraw/zinc/24/90/96/571249096.db2.gz QXYUSEURMGVEEN-QHCPKHFHSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000036348233 571249095 /nfs/dbraw/zinc/24/90/95/571249095.db2.gz QXYUSEURMGVEEN-QHCPKHFHSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000036348234 208154684 /nfs/dbraw/zinc/15/46/84/208154684.db2.gz QXYUSEURMGVEEN-HSZRJFAPSA-N 1 1 364.464 5.021 50 0 FKAAMO CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000036348234 208154677 /nfs/dbraw/zinc/15/46/77/208154677.db2.gz QXYUSEURMGVEEN-HSZRJFAPSA-N 1 1 364.464 5.021 50 0 FKAAMO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000036348247 571249047 /nfs/dbraw/zinc/24/90/47/571249047.db2.gz HKPZJSODDRGFKU-DEOSSOPVSA-N 1 1 362.492 5.746 50 0 FKAAMO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000036348248 571249052 /nfs/dbraw/zinc/24/90/52/571249052.db2.gz HKPZJSODDRGFKU-XMMPIXPASA-N 1 1 362.492 5.746 50 0 FKAAMO COc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)C)cc2)c1 ZINC000036348343 208156273 /nfs/dbraw/zinc/15/62/73/208156273.db2.gz ZAEPSOCVMFHGQN-VWLOTQADSA-N 1 1 374.528 5.615 50 0 FKAAMO COc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)C)cc2)c1 ZINC000036348344 571248756 /nfs/dbraw/zinc/24/87/56/571248756.db2.gz ZAEPSOCVMFHGQN-RUZDIDTESA-N 1 1 374.528 5.615 50 0 FKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cccc(OC)c1 ZINC000036348351 571248868 /nfs/dbraw/zinc/24/88/68/571248868.db2.gz BGKDMZHETBGXSP-DEOSSOPVSA-N 1 1 360.501 5.054 50 0 FKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc(OC)c1 ZINC000036348352 571248908 /nfs/dbraw/zinc/24/89/08/571248908.db2.gz BGKDMZHETBGXSP-XMMPIXPASA-N 1 1 360.501 5.054 50 0 FKAAMO Cc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000036348373 208153908 /nfs/dbraw/zinc/15/39/08/208153908.db2.gz QCAPLSDBNYCZJI-JOCHJYFZSA-N 1 1 350.893 5.445 50 0 FKAAMO Cc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000036348374 571248838 /nfs/dbraw/zinc/24/88/38/571248838.db2.gz QCAPLSDBNYCZJI-QFIPXVFZSA-N 1 1 350.893 5.445 50 0 FKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(C)c2)cc1 ZINC000036348379 571248780 /nfs/dbraw/zinc/24/87/80/571248780.db2.gz UBHKBTJVXIDWMW-DEOSSOPVSA-N 1 1 360.501 5.191 50 0 FKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(C)c2)cc1 ZINC000036348380 205010936 /nfs/dbraw/zinc/01/09/36/205010936.db2.gz UBHKBTJVXIDWMW-XMMPIXPASA-N 1 1 360.501 5.191 50 0 FKAAMO Cc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cc(F)ccc2F)c1 ZINC000036348409 571248897 /nfs/dbraw/zinc/24/88/97/571248897.db2.gz RPUUMOHAUDEQQK-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cc(F)ccc2F)c1 ZINC000036348409 571248896 /nfs/dbraw/zinc/24/88/96/571248896.db2.gz RPUUMOHAUDEQQK-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cc(F)ccc2F)c1 ZINC000036348411 205009981 /nfs/dbraw/zinc/00/99/81/205009981.db2.gz RPUUMOHAUDEQQK-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cc(F)ccc2F)c1 ZINC000036348411 205009976 /nfs/dbraw/zinc/00/99/76/205009976.db2.gz RPUUMOHAUDEQQK-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO CCc1ccccc1[C@@H]1c2cccn2CCC[N@@H+]1Cc1cccc(OC)c1 ZINC000036348578 571249123 /nfs/dbraw/zinc/24/91/23/571249123.db2.gz QABBWNUTZNWSNG-XMMPIXPASA-N 1 1 360.501 5.054 50 0 FKAAMO CCc1ccccc1[C@H]1c2cccn2CCC[N@@H+]1Cc1cccc(OC)c1 ZINC000036348579 571249063 /nfs/dbraw/zinc/24/90/63/571249063.db2.gz QABBWNUTZNWSNG-DEOSSOPVSA-N 1 1 360.501 5.054 50 0 FKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cc(F)ccc1F ZINC000036348612 571248980 /nfs/dbraw/zinc/24/89/80/571248980.db2.gz WFXBLCOGFVADLZ-QHCPKHFHSA-N 1 1 366.455 5.324 50 0 FKAAMO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cc(F)ccc1F ZINC000036348612 571248979 /nfs/dbraw/zinc/24/89/79/571248979.db2.gz WFXBLCOGFVADLZ-QHCPKHFHSA-N 1 1 366.455 5.324 50 0 FKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cc(F)ccc1F ZINC000036348613 205010816 /nfs/dbraw/zinc/01/08/16/205010816.db2.gz WFXBLCOGFVADLZ-HSZRJFAPSA-N 1 1 366.455 5.324 50 0 FKAAMO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cc(F)ccc1F ZINC000036348613 205010813 /nfs/dbraw/zinc/01/08/13/205010813.db2.gz WFXBLCOGFVADLZ-HSZRJFAPSA-N 1 1 366.455 5.324 50 0 FKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000036348632 208155568 /nfs/dbraw/zinc/15/55/68/208155568.db2.gz WUVIMGGGNOBDMK-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000036348632 208155564 /nfs/dbraw/zinc/15/55/64/208155564.db2.gz WUVIMGGGNOBDMK-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000036348634 208154728 /nfs/dbraw/zinc/15/47/28/208154728.db2.gz WUVIMGGGNOBDMK-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000036348634 208154723 /nfs/dbraw/zinc/15/47/23/208154723.db2.gz WUVIMGGGNOBDMK-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(F)c(F)c1 ZINC000036348658 205010704 /nfs/dbraw/zinc/01/07/04/205010704.db2.gz CVURRJKCKRTWSX-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(F)c(F)c1 ZINC000036348658 205010702 /nfs/dbraw/zinc/01/07/02/205010702.db2.gz CVURRJKCKRTWSX-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(F)c(F)c1 ZINC000036348659 205011454 /nfs/dbraw/zinc/01/14/54/205011454.db2.gz CVURRJKCKRTWSX-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(F)c(F)c1 ZINC000036348659 205011452 /nfs/dbraw/zinc/01/14/52/205011452.db2.gz CVURRJKCKRTWSX-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000036348661 205009848 /nfs/dbraw/zinc/00/98/48/205009848.db2.gz WSWRAFTYCKIMLG-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000036348661 205009845 /nfs/dbraw/zinc/00/98/45/205009845.db2.gz WSWRAFTYCKIMLG-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)c(F)c2)c1 ZINC000036348662 571249084 /nfs/dbraw/zinc/24/90/84/571249084.db2.gz WSWRAFTYCKIMLG-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)c(F)c2)c1 ZINC000036348662 571249083 /nfs/dbraw/zinc/24/90/83/571249083.db2.gz WSWRAFTYCKIMLG-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(F)c(F)c1 ZINC000036348666 571249011 /nfs/dbraw/zinc/24/90/11/571249011.db2.gz PVBFROZZJYFSMF-QHCPKHFHSA-N 1 1 366.455 5.324 50 0 FKAAMO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(F)c(F)c1 ZINC000036348666 571249010 /nfs/dbraw/zinc/24/90/10/571249010.db2.gz PVBFROZZJYFSMF-QHCPKHFHSA-N 1 1 366.455 5.324 50 0 FKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(F)c(F)c1 ZINC000036348668 571249076 /nfs/dbraw/zinc/24/90/76/571249076.db2.gz PVBFROZZJYFSMF-HSZRJFAPSA-N 1 1 366.455 5.324 50 0 FKAAMO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(F)c(F)c1 ZINC000036348668 571249075 /nfs/dbraw/zinc/24/90/75/571249075.db2.gz PVBFROZZJYFSMF-HSZRJFAPSA-N 1 1 366.455 5.324 50 0 FKAAMO C[N@@H+](Cc1ccccc1NC(=O)Cc1ccccc1Cl)C1CCCCC1 ZINC000036719048 571261752 /nfs/dbraw/zinc/26/17/52/571261752.db2.gz FFCYARDVOXYTQD-UHFFFAOYSA-N 1 1 370.924 5.286 50 0 FKAAMO CC(C)c1ccc(NC(=S)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000036847595 205022771 /nfs/dbraw/zinc/02/27/71/205022771.db2.gz IFYSXRPGRFFXFM-UHFFFAOYSA-N 1 1 369.578 5.137 50 0 FKAAMO C[N@@H+](CCCc1nc(-c2cccs2)no1)Cc1ccc2ccccc2c1 ZINC000037117569 208175035 /nfs/dbraw/zinc/17/50/35/208175035.db2.gz IOLDMHPDXFRDOW-UHFFFAOYSA-N 1 1 363.486 5.016 50 0 FKAAMO CC(C)CC[N@H+]1CCCn2cccc2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000037522233 570954503 /nfs/dbraw/zinc/95/45/03/570954503.db2.gz GHQMJDDYKKIBLK-IBGZPJMESA-N 1 1 350.428 5.348 50 0 FKAAMO CC(C)CC[N@H+]1CCCn2cccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000037522234 571287051 /nfs/dbraw/zinc/28/70/51/571287051.db2.gz GHQMJDDYKKIBLK-LJQANCHMSA-N 1 1 350.428 5.348 50 0 FKAAMO CC(C)C[N@H+]1CCCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000037522379 205026621 /nfs/dbraw/zinc/02/66/21/205026621.db2.gz PFQQRVIUBXZMGS-DEOSSOPVSA-N 1 1 360.501 5.732 50 0 FKAAMO CC(C)C[N@H+]1CCCn2cccc2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000037522380 571287109 /nfs/dbraw/zinc/28/71/09/571287109.db2.gz PFQQRVIUBXZMGS-XMMPIXPASA-N 1 1 360.501 5.732 50 0 FKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2F)cc1 ZINC000037522499 205027781 /nfs/dbraw/zinc/02/77/81/205027781.db2.gz LTKFYMYIKHWHHX-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2F)cc1 ZINC000037522499 205027776 /nfs/dbraw/zinc/02/77/76/205027776.db2.gz LTKFYMYIKHWHHX-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2F)cc1 ZINC000037522500 571287163 /nfs/dbraw/zinc/28/71/63/571287163.db2.gz LTKFYMYIKHWHHX-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2F)cc1 ZINC000037522500 571287162 /nfs/dbraw/zinc/28/71/62/571287162.db2.gz LTKFYMYIKHWHHX-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cccc(F)c1F ZINC000037522507 208180913 /nfs/dbraw/zinc/18/09/13/208180913.db2.gz YDTXVUOHAZWSGD-QHCPKHFHSA-N 1 1 366.455 5.324 50 0 FKAAMO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(F)c1F ZINC000037522507 208180906 /nfs/dbraw/zinc/18/09/06/208180906.db2.gz YDTXVUOHAZWSGD-QHCPKHFHSA-N 1 1 366.455 5.324 50 0 FKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc(F)c1F ZINC000037522508 205027260 /nfs/dbraw/zinc/02/72/60/205027260.db2.gz YDTXVUOHAZWSGD-HSZRJFAPSA-N 1 1 366.455 5.324 50 0 FKAAMO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cccc(F)c1F ZINC000037522508 205027258 /nfs/dbraw/zinc/02/72/58/205027258.db2.gz YDTXVUOHAZWSGD-HSZRJFAPSA-N 1 1 366.455 5.324 50 0 FKAAMO CC(C)CC[N@H+]1CCCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000037522628 208181061 /nfs/dbraw/zinc/18/10/61/208181061.db2.gz PVYLJFWHOJXIIU-VWLOTQADSA-N 1 1 374.528 6.122 50 0 FKAAMO CC(C)CC[N@H+]1CCCn2cccc2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000037522629 571287143 /nfs/dbraw/zinc/28/71/43/571287143.db2.gz PVYLJFWHOJXIIU-RUZDIDTESA-N 1 1 374.528 6.122 50 0 FKAAMO COc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)c(C)c2)c1 ZINC000037522672 208180745 /nfs/dbraw/zinc/18/07/45/208180745.db2.gz JJSCZSWHBVYEMM-DEOSSOPVSA-N 1 1 360.501 5.109 50 0 FKAAMO COc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)c(C)c2)c1 ZINC000037522673 571287153 /nfs/dbraw/zinc/28/71/53/571287153.db2.gz JJSCZSWHBVYEMM-XMMPIXPASA-N 1 1 360.501 5.109 50 0 FKAAMO COc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cc(C)cc(C)c2)c1 ZINC000037522676 571287167 /nfs/dbraw/zinc/28/71/67/571287167.db2.gz CXCIMWDJNDSNGI-DEOSSOPVSA-N 1 1 360.501 5.109 50 0 FKAAMO COc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cc(C)cc(C)c2)c1 ZINC000037522677 571287132 /nfs/dbraw/zinc/28/71/32/571287132.db2.gz CXCIMWDJNDSNGI-XMMPIXPASA-N 1 1 360.501 5.109 50 0 FKAAMO Cc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2F)c1 ZINC000037523059 205028297 /nfs/dbraw/zinc/02/82/97/205028297.db2.gz WBRULOGDSDNVRH-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2F)c1 ZINC000037523059 205028293 /nfs/dbraw/zinc/02/82/93/205028293.db2.gz WBRULOGDSDNVRH-JOCHJYFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2F)c1 ZINC000037523060 208180876 /nfs/dbraw/zinc/18/08/76/208180876.db2.gz WBRULOGDSDNVRH-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO Cc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2F)c1 ZINC000037523060 208180869 /nfs/dbraw/zinc/18/08/69/208180869.db2.gz WBRULOGDSDNVRH-QFIPXVFZSA-N 1 1 352.428 5.070 50 0 FKAAMO CC(C)CC[N@H+]1CCCn2cccc2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000037523099 571287315 /nfs/dbraw/zinc/28/73/15/571287315.db2.gz HTPPJVOFIFCZKJ-IBGZPJMESA-N 1 1 351.321 5.636 50 0 FKAAMO CC(C)CC[N@H+]1CCCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000037523100 208179676 /nfs/dbraw/zinc/17/96/76/208179676.db2.gz HTPPJVOFIFCZKJ-LJQANCHMSA-N 1 1 351.321 5.636 50 0 FKAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cc(C)cc(C)c2)cc1 ZINC000037523109 571287346 /nfs/dbraw/zinc/28/73/46/571287346.db2.gz QHRVINKDFUZWCA-DEOSSOPVSA-N 1 1 360.501 5.109 50 0 FKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cc(C)cc(C)c2)cc1 ZINC000037523110 571287223 /nfs/dbraw/zinc/28/72/23/571287223.db2.gz QHRVINKDFUZWCA-XMMPIXPASA-N 1 1 360.501 5.109 50 0 FKAAMO CC(C)(C)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccncc2)cc1 ZINC000037523339 208180505 /nfs/dbraw/zinc/18/05/05/208180505.db2.gz DXMVCFLWFPBPOM-HSZRJFAPSA-N 1 1 359.517 5.176 50 0 FKAAMO CC(C)(C)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccncc2)cc1 ZINC000037523340 571287291 /nfs/dbraw/zinc/28/72/91/571287291.db2.gz DXMVCFLWFPBPOM-QHCPKHFHSA-N 1 1 359.517 5.176 50 0 FKAAMO Cc1ccc(C)c([C@@H]2c3cccn3CCC[N@@H+]2Cc2c(F)cccc2F)c1 ZINC000037523359 208179999 /nfs/dbraw/zinc/17/99/99/208179999.db2.gz AZYABWBZDKANRK-HSZRJFAPSA-N 1 1 366.455 5.378 50 0 FKAAMO Cc1ccc(C)c([C@@H]2c3cccn3CCC[N@H+]2Cc2c(F)cccc2F)c1 ZINC000037523359 208179995 /nfs/dbraw/zinc/17/99/95/208179995.db2.gz AZYABWBZDKANRK-HSZRJFAPSA-N 1 1 366.455 5.378 50 0 FKAAMO Cc1ccc(C)c([C@H]2c3cccn3CCC[N@@H+]2Cc2c(F)cccc2F)c1 ZINC000037523360 208180894 /nfs/dbraw/zinc/18/08/94/208180894.db2.gz AZYABWBZDKANRK-QHCPKHFHSA-N 1 1 366.455 5.378 50 0 FKAAMO Cc1ccc(C)c([C@H]2c3cccn3CCC[N@H+]2Cc2c(F)cccc2F)c1 ZINC000037523360 208180889 /nfs/dbraw/zinc/18/08/89/208180889.db2.gz AZYABWBZDKANRK-QHCPKHFHSA-N 1 1 366.455 5.378 50 0 FKAAMO FC(F)(F)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccoc2)cc1 ZINC000037523503 571287333 /nfs/dbraw/zinc/28/73/33/571287333.db2.gz PVHSEEZDXHJGJH-LJQANCHMSA-N 1 1 360.379 5.095 50 0 FKAAMO FC(F)(F)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccoc2)cc1 ZINC000037523503 571287332 /nfs/dbraw/zinc/28/73/32/571287332.db2.gz PVHSEEZDXHJGJH-LJQANCHMSA-N 1 1 360.379 5.095 50 0 FKAAMO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccoc2)cc1 ZINC000037523504 208179584 /nfs/dbraw/zinc/17/95/84/208179584.db2.gz PVHSEEZDXHJGJH-IBGZPJMESA-N 1 1 360.379 5.095 50 0 FKAAMO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccoc2)cc1 ZINC000037523504 208179578 /nfs/dbraw/zinc/17/95/78/208179578.db2.gz PVHSEEZDXHJGJH-IBGZPJMESA-N 1 1 360.379 5.095 50 0 FKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)cc1 ZINC000037523541 208179468 /nfs/dbraw/zinc/17/94/68/208179468.db2.gz SJKYMBXATBPPQR-XMMPIXPASA-N 1 1 360.501 5.109 50 0 FKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)cc1 ZINC000037523542 205027827 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FKAAMO CC(C)[C@@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 ZINC000048289721 205156199 /nfs/dbraw/zinc/15/61/99/205156199.db2.gz DPZUAIWISVWJMH-HXUWFJFHSA-N 1 1 358.844 5.621 50 0 FKAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000048313266 205158738 /nfs/dbraw/zinc/15/87/38/205158738.db2.gz NCWAUFQDAHEXCW-DEOSSOPVSA-N 1 1 374.484 5.006 50 0 FKAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000048313269 221007235 /nfs/dbraw/zinc/00/72/35/221007235.db2.gz NCWAUFQDAHEXCW-XMMPIXPASA-N 1 1 374.484 5.006 50 0 FKAAMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccs3)oc2C)cc1 ZINC000048341470 221009430 /nfs/dbraw/zinc/00/94/30/221009430.db2.gz UUFOMYCIYZSALC-IBGZPJMESA-N 1 1 368.502 5.447 50 0 FKAAMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccs3)oc2C)cc1 ZINC000048341470 221009428 /nfs/dbraw/zinc/00/94/28/221009428.db2.gz UUFOMYCIYZSALC-IBGZPJMESA-N 1 1 368.502 5.447 50 0 FKAAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccs3)oc2C)cc1 ZINC000048341473 221009223 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Clc1ccc(C(c2ccc(Cl)s2)=C2C[NH+]3CCC2CC3)s1 ZINC000055196017 221061048 /nfs/dbraw/zinc/06/10/48/221061048.db2.gz TUJPGGHLZPGCAJ-UHFFFAOYSA-N 1 1 356.343 5.644 50 0 FKAAMO Cc1cnccc1C[N@@H+](C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000055244342 221063304 /nfs/dbraw/zinc/06/33/04/221063304.db2.gz WICSLCDPMAJRDD-UHFFFAOYSA-N 1 1 368.484 5.079 50 0 FKAAMO c1ccc([C@H]2CCC[N@@H+]2Cc2cnc(-c3ccc4ccccc4c3)nc2)nc1 ZINC000055244601 571118430 /nfs/dbraw/zinc/11/84/30/571118430.db2.gz SQKRJVUDQLUKOT-HSZRJFAPSA-N 1 1 366.468 5.029 50 0 FKAAMO c1ccc([C@H]2CCC[N@H+]2Cc2cnc(-c3ccc4ccccc4c3)nc2)nc1 ZINC000055244601 571118429 /nfs/dbraw/zinc/11/84/29/571118429.db2.gz SQKRJVUDQLUKOT-HSZRJFAPSA-N 1 1 366.468 5.029 50 0 FKAAMO c1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(-c3ccc4ccccc4c3)nc2)nc1 ZINC000055244603 221063348 /nfs/dbraw/zinc/06/33/48/221063348.db2.gz SQKRJVUDQLUKOT-QHCPKHFHSA-N 1 1 366.468 5.029 50 0 FKAAMO c1ccc([C@@H]2CCC[N@H+]2Cc2cnc(-c3ccc4ccccc4c3)nc2)nc1 ZINC000055244603 221063345 /nfs/dbraw/zinc/06/33/45/221063345.db2.gz SQKRJVUDQLUKOT-QHCPKHFHSA-N 1 1 366.468 5.029 50 0 FKAAMO CCOc1ccccc1C[N@@H+](Cc1ccc([C@@H]2CCCCO2)o1)C1CC1 ZINC000055269755 205213138 /nfs/dbraw/zinc/21/31/38/205213138.db2.gz HVYIOPFANOLIRK-NRFANRHFSA-N 1 1 355.478 5.085 50 0 FKAAMO CCOc1ccccc1C[N@H+](Cc1ccc([C@@H]2CCCCO2)o1)C1CC1 ZINC000055269755 205213134 /nfs/dbraw/zinc/21/31/34/205213134.db2.gz HVYIOPFANOLIRK-NRFANRHFSA-N 1 1 355.478 5.085 50 0 FKAAMO CCOc1ccccc1C[N@@H+](Cc1ccc([C@H]2CCCCO2)o1)C1CC1 ZINC000055269757 205212857 /nfs/dbraw/zinc/21/28/57/205212857.db2.gz HVYIOPFANOLIRK-OAQYLSRUSA-N 1 1 355.478 5.085 50 0 FKAAMO CCOc1ccccc1C[N@H+](Cc1ccc([C@H]2CCCCO2)o1)C1CC1 ZINC000055269757 205212853 /nfs/dbraw/zinc/21/28/53/205212853.db2.gz HVYIOPFANOLIRK-OAQYLSRUSA-N 1 1 355.478 5.085 50 0 FKAAMO C[N@H+](Cc1cccc2ccccc21)Cc1coc2ccc(Cl)cc2c1=O ZINC000055291899 205212964 /nfs/dbraw/zinc/21/29/64/205212964.db2.gz FIUDBHXSKPORNS-UHFFFAOYSA-N 1 1 363.844 5.232 50 0 FKAAMO Cn1cc(C[N@@H+](C)Cc2ccccn2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000055326099 571119509 /nfs/dbraw/zinc/11/95/09/571119509.db2.gz DRFNUTAGVPZIJJ-UHFFFAOYSA-N 1 1 374.532 5.162 50 0 FKAAMO Cn1cc(C[N@H+](C)Cc2ccccn2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000055326099 571119506 /nfs/dbraw/zinc/11/95/06/571119506.db2.gz DRFNUTAGVPZIJJ-UHFFFAOYSA-N 1 1 374.532 5.162 50 0 FKAAMO COc1cc(-c2ccc(C)cc2)cc2c1OCC[N@@H+](Cc1cccs1)C2 ZINC000055344663 205215703 /nfs/dbraw/zinc/21/57/03/205215703.db2.gz MOKDRZVNYNBXOC-UHFFFAOYSA-N 1 1 365.498 5.127 50 0 FKAAMO COc1cc(-c2ccc(C)cc2)cc2c1OCC[N@H+](Cc1cccs1)C2 ZINC000055344663 205215699 /nfs/dbraw/zinc/21/56/99/205215699.db2.gz MOKDRZVNYNBXOC-UHFFFAOYSA-N 1 1 365.498 5.127 50 0 FKAAMO Cn1cc(C[N@@H+](C)Cc2cccnc2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000055371041 221067087 /nfs/dbraw/zinc/06/70/87/221067087.db2.gz PJZHKGFQIZMNBY-UHFFFAOYSA-N 1 1 374.532 5.162 50 0 FKAAMO Clc1ccccc1N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000055543622 136126925 /nfs/dbraw/zinc/12/69/25/136126925.db2.gz LRPRLWUZCRIENI-UHFFFAOYSA-N 1 1 362.904 5.329 50 0 FKAAMO CC[N@@H+](Cc1cccs1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000057281310 571342503 /nfs/dbraw/zinc/34/25/03/571342503.db2.gz CORGQUPUSWZLDY-UHFFFAOYSA-N 1 1 350.487 5.023 50 0 FKAAMO C[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000057281312 221086168 /nfs/dbraw/zinc/08/61/68/221086168.db2.gz MAIFPVPSKGWEEC-UHFFFAOYSA-N 1 1 370.905 5.286 50 0 FKAAMO C[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000057281312 221086166 /nfs/dbraw/zinc/08/61/66/221086166.db2.gz MAIFPVPSKGWEEC-UHFFFAOYSA-N 1 1 370.905 5.286 50 0 FKAAMO CC(C)c1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2)c2cccs2)cc1 ZINC000057452031 571343476 /nfs/dbraw/zinc/34/34/76/571343476.db2.gz GCCXHBLLOYYNTR-QFIPXVFZSA-N 1 1 364.514 5.189 50 0 FKAAMO CC(C)c1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2)c2cccs2)cc1 ZINC000057452033 571343472 /nfs/dbraw/zinc/34/34/72/571343472.db2.gz GCCXHBLLOYYNTR-JOCHJYFZSA-N 1 1 364.514 5.189 50 0 FKAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]3c3ccccc3)c2cc1Cl ZINC000057611632 205242761 /nfs/dbraw/zinc/24/27/61/205242761.db2.gz JUZIKSVTNPNFIW-LJQANCHMSA-N 1 1 353.849 5.092 50 0 FKAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]3c3ccccc3)c2cc1Cl ZINC000057611634 205242380 /nfs/dbraw/zinc/24/23/80/205242380.db2.gz JUZIKSVTNPNFIW-IBGZPJMESA-N 1 1 353.849 5.092 50 0 FKAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+](C)C2CCCCC2)c1 ZINC000057945279 571122961 /nfs/dbraw/zinc/12/29/61/571122961.db2.gz JDFPGVIZUFLQPE-JOCHJYFZSA-N 1 1 350.506 5.248 50 0 FKAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+](C)C2CCCCC2)c1 ZINC000057945284 205245278 /nfs/dbraw/zinc/24/52/78/205245278.db2.gz JDFPGVIZUFLQPE-QFIPXVFZSA-N 1 1 350.506 5.248 50 0 FKAAMO COc1ccc(C[N@@H+](Cc2ccccc2Oc2cccnc2)C2CC2)cc1 ZINC000058023388 205246954 /nfs/dbraw/zinc/24/69/54/205246954.db2.gz IMGSCTPQMCMLPH-UHFFFAOYSA-N 1 1 360.457 5.047 50 0 FKAAMO Cc1ccc2c(C[N@@H+](Cc3ccco3)Cc3ccccc3)cc(=O)oc2c1C ZINC000058122406 221098813 /nfs/dbraw/zinc/09/88/13/221098813.db2.gz VDGSHIKWVYRFTQ-UHFFFAOYSA-N 1 1 373.452 5.205 50 0 FKAAMO Cc1ccc2c(C[N@H+](Cc3ccco3)Cc3ccccc3)cc(=O)oc2c1C ZINC000058122406 221098811 /nfs/dbraw/zinc/09/88/11/221098811.db2.gz VDGSHIKWVYRFTQ-UHFFFAOYSA-N 1 1 373.452 5.205 50 0 FKAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CC=C(c4ccccc4)CC3)c2cc1Cl ZINC000058159168 221100734 /nfs/dbraw/zinc/10/07/34/221100734.db2.gz SBUIHDACWXQJPN-UHFFFAOYSA-N 1 1 365.860 5.044 50 0 FKAAMO Cc1cc2oc(=O)cc(C[N@H+]3CC=C(c4ccccc4)CC3)c2cc1Cl ZINC000058159168 221100733 /nfs/dbraw/zinc/10/07/33/221100733.db2.gz SBUIHDACWXQJPN-UHFFFAOYSA-N 1 1 365.860 5.044 50 0 FKAAMO Cc1cccc(C(C)C)c1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058160722 571348925 /nfs/dbraw/zinc/34/89/25/571348925.db2.gz PIHMQCIBICLFRN-UHFFFAOYSA-N 1 1 372.512 5.436 50 0 FKAAMO CC[C@@H](C)c1ccccc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058160736 571126383 /nfs/dbraw/zinc/12/63/83/571126383.db2.gz JCHBHBKSLCALMO-LJQANCHMSA-N 1 1 372.512 5.518 50 0 FKAAMO CC[C@H](C)c1ccccc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058160737 571126418 /nfs/dbraw/zinc/12/64/18/571126418.db2.gz JCHBHBKSLCALMO-IBGZPJMESA-N 1 1 372.512 5.518 50 0 FKAAMO CC(C)(C)c1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000058160864 221100190 /nfs/dbraw/zinc/10/01/90/221100190.db2.gz YIGXISMVLURNIP-UHFFFAOYSA-N 1 1 372.512 5.302 50 0 FKAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1cccc2ccccc21 ZINC000058161212 571126345 /nfs/dbraw/zinc/12/63/45/571126345.db2.gz DSKLDSCRKRFHKC-UHFFFAOYSA-N 1 1 366.464 5.158 50 0 FKAAMO CCc1cccc(CC)c1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058163315 571126582 /nfs/dbraw/zinc/12/65/82/571126582.db2.gz CASSELQERCLVDA-UHFFFAOYSA-N 1 1 372.512 5.129 50 0 FKAAMO CCn1c(C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000058166693 221101526 /nfs/dbraw/zinc/10/15/26/221101526.db2.gz JQZMCBBTJLKTLJ-UHFFFAOYSA-N 1 1 362.304 5.388 50 0 FKAAMO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000058177680 205253639 /nfs/dbraw/zinc/25/36/39/205253639.db2.gz DWASPQKIIGCNDG-OAQYLSRUSA-N 1 1 364.533 5.154 50 0 FKAAMO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000058177682 571127316 /nfs/dbraw/zinc/12/73/16/571127316.db2.gz DWASPQKIIGCNDG-NRFANRHFSA-N 1 1 364.533 5.154 50 0 FKAAMO CCCC[N@H+]1Cc2ccc(NC(=O)c3[nH]c4ccccc4c3Cl)cc2C1 ZINC000058309017 571131004 /nfs/dbraw/zinc/13/10/04/571131004.db2.gz VFGHIJGWCCQYTQ-UHFFFAOYSA-N 1 1 367.880 5.189 50 0 FKAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]3c3ccsc3)c2cc1Cl ZINC000058358248 212006228 /nfs/dbraw/zinc/00/62/28/212006228.db2.gz PHHSEAGGPSWNHS-QGZVFWFLSA-N 1 1 359.878 5.153 50 0 FKAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]3c3ccsc3)c2cc1Cl ZINC000058358248 212006226 /nfs/dbraw/zinc/00/62/26/212006226.db2.gz PHHSEAGGPSWNHS-QGZVFWFLSA-N 1 1 359.878 5.153 50 0 FKAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]3c3ccsc3)c2cc1Cl ZINC000058358249 205272723 /nfs/dbraw/zinc/27/27/23/205272723.db2.gz PHHSEAGGPSWNHS-KRWDZBQOSA-N 1 1 359.878 5.153 50 0 FKAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H]3c3ccsc3)c2cc1Cl ZINC000058358249 205272719 /nfs/dbraw/zinc/27/27/19/205272719.db2.gz PHHSEAGGPSWNHS-KRWDZBQOSA-N 1 1 359.878 5.153 50 0 FKAAMO FC(F)Sc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000058407024 205273874 /nfs/dbraw/zinc/27/38/74/205273874.db2.gz MPDLDLADFWLAJJ-OAHLLOKOSA-N 1 1 374.456 5.522 50 0 FKAAMO FC(F)Sc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000058407025 221117501 /nfs/dbraw/zinc/11/75/01/221117501.db2.gz MPDLDLADFWLAJJ-HNNXBMFYSA-N 1 1 374.456 5.522 50 0 FKAAMO Cc1cc([C@@H]2CC=C(C)[C@H](c3ccccc3)[N@H+]2C)cnc1-c1ccccc1 ZINC000058476297 571351803 /nfs/dbraw/zinc/35/18/03/571351803.db2.gz HKZZNEPBJXSGFS-UKILVPOCSA-N 1 1 354.497 6.121 50 0 FKAAMO Cc1cc([C@H]2CC=C(C)[C@H](c3ccccc3)[N@H+]2C)cnc1-c1ccccc1 ZINC000058476299 221120146 /nfs/dbraw/zinc/12/01/46/221120146.db2.gz HKZZNEPBJXSGFS-ILBGXUMGSA-N 1 1 354.497 6.121 50 0 FKAAMO Cc1cc([C@@H]2CC=C(C)[C@@H](c3ccccc3)[N@H+]2C)cnc1-c1ccccc1 ZINC000058476302 212012238 /nfs/dbraw/zinc/01/22/38/212012238.db2.gz HKZZNEPBJXSGFS-ZCYQVOJMSA-N 1 1 354.497 6.121 50 0 FKAAMO Cc1cc([C@H]2CC=C(C)[C@@H](c3ccccc3)[N@H+]2C)cnc1-c1ccccc1 ZINC000058476305 221121016 /nfs/dbraw/zinc/12/10/16/221121016.db2.gz HKZZNEPBJXSGFS-NOZRDPDXSA-N 1 1 354.497 6.121 50 0 FKAAMO C[N@@H+](Cc1csc2ccccc12)Cc1cc(Cl)cc2c1OCOC2 ZINC000058582079 212012043 /nfs/dbraw/zinc/01/20/43/212012043.db2.gz CSROVHSFTAVXPL-UHFFFAOYSA-N 1 1 359.878 5.053 50 0 FKAAMO CCC[N@@H+](Cc1c(C)noc1C)[C@@H](C)c1ccccc1Br ZINC000059389262 571134807 /nfs/dbraw/zinc/13/48/07/571134807.db2.gz LKABLZIUZQYMHO-ZDUSSCGKSA-N 1 1 351.288 5.027 50 0 FKAAMO CCC[N@H+](Cc1c(C)noc1C)[C@@H](C)c1ccccc1Br ZINC000059389262 571134804 /nfs/dbraw/zinc/13/48/04/571134804.db2.gz LKABLZIUZQYMHO-ZDUSSCGKSA-N 1 1 351.288 5.027 50 0 FKAAMO CCC[N@@H+](Cc1c(C)noc1C)[C@H](C)c1ccccc1Br ZINC000059389265 221126410 /nfs/dbraw/zinc/12/64/10/221126410.db2.gz LKABLZIUZQYMHO-CYBMUJFWSA-N 1 1 351.288 5.027 50 0 FKAAMO CCC[N@H+](Cc1c(C)noc1C)[C@H](C)c1ccccc1Br ZINC000059389265 221126407 /nfs/dbraw/zinc/12/64/07/221126407.db2.gz LKABLZIUZQYMHO-CYBMUJFWSA-N 1 1 351.288 5.027 50 0 FKAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000061014986 212024107 /nfs/dbraw/zinc/02/41/07/212024107.db2.gz GWHUYIDKQZKGBD-CQSZACIVSA-N 1 1 374.315 5.397 50 0 FKAAMO Clc1c2ccccc2sc1C[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000061015914 205284779 /nfs/dbraw/zinc/28/47/79/205284779.db2.gz ZCZXDCNCGPLOOY-OAQYLSRUSA-N 1 1 364.901 5.829 50 0 FKAAMO CC(C)Oc1ccc(C[NH2+][C@H](c2nc(-c3ccccc3)no2)C(C)C)cc1 ZINC000062257941 570657071 /nfs/dbraw/zinc/65/70/71/570657071.db2.gz QMJZUWWZQFRAMG-FQEVSTJZSA-N 1 1 365.477 5.011 50 0 FKAAMO Cc1cc(C)c(OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)c(C)c1 ZINC000063604053 212033171 /nfs/dbraw/zinc/03/31/71/212033171.db2.gz QXEZQFAQGHQEIZ-UHFFFAOYSA-N 1 1 357.497 5.464 50 0 FKAAMO Cc1ccc(C[N@H+]2CCOc3c(O)cc(-c4cccs4)cc3C2)c(C)c1 ZINC000064007056 221145082 /nfs/dbraw/zinc/14/50/82/221145082.db2.gz XMOSNEYFOOMVSD-UHFFFAOYSA-N 1 1 365.498 5.132 50 0 FKAAMO Cc1ccc(C[N@@H+]2CCOc3c(O)cc(-c4cccs4)cc3C2)c(C)c1 ZINC000064007056 221145079 /nfs/dbraw/zinc/14/50/79/221145079.db2.gz XMOSNEYFOOMVSD-UHFFFAOYSA-N 1 1 365.498 5.132 50 0 FKAAMO CC(C)[C@@H](C)[N@@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CC1 ZINC000064141151 212036549 /nfs/dbraw/zinc/03/65/49/212036549.db2.gz LGHBADKFWALNKN-LLVKDONJSA-N 1 1 354.281 5.052 50 0 FKAAMO COC(=O)CC1=CC(SCc2ccc(C)cc2C)=[NH+]c2ccccc2N1 ZINC000064661255 205302352 /nfs/dbraw/zinc/30/23/52/205302352.db2.gz TVMXZLYVIUEEHY-UHFFFAOYSA-N 1 1 366.486 5.139 50 0 FKAAMO COC(=O)CC1=CC(SCc2ccc(Cl)cc2)=[NH+]c2ccccc2N1 ZINC000064661261 205301778 /nfs/dbraw/zinc/30/17/78/205301778.db2.gz SCGFGYBHIPRCSU-UHFFFAOYSA-N 1 1 372.877 5.176 50 0 FKAAMO CCOC(=O)CC1=CC(SCc2ccccc2F)=[NH+]c2ccccc2N1 ZINC000064661283 212041982 /nfs/dbraw/zinc/04/19/82/212041982.db2.gz OTHNBHHQACZASU-UHFFFAOYSA-N 1 1 370.449 5.052 50 0 FKAAMO CCOC(=O)CC1=CC(SCc2cccc(F)c2)=[NH+]c2ccccc2N1 ZINC000064661289 221150467 /nfs/dbraw/zinc/15/04/67/221150467.db2.gz TZDBUOITRAUTPP-UHFFFAOYSA-N 1 1 370.449 5.052 50 0 FKAAMO CCOC(=O)CC1=CC(SCc2ccc(F)cc2)=[NH+]c2ccccc2N1 ZINC000064661297 205301391 /nfs/dbraw/zinc/30/13/91/205301391.db2.gz CUFYCXJLTGEFPD-UHFFFAOYSA-N 1 1 370.449 5.052 50 0 FKAAMO CCCC(=O)Nc1ccc(Nc2cc(C)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000064801180 571141179 /nfs/dbraw/zinc/14/11/79/571141179.db2.gz UJSMGOQXPKVAGS-UHFFFAOYSA-N 1 1 367.497 5.012 50 0 FKAAMO C=Cc1ccc(CSC2=[NH+]c3ccccc3NC(CC(=O)OC)=C2)cc1 ZINC000064869569 212046877 /nfs/dbraw/zinc/04/68/77/212046877.db2.gz QAMFFBSJMLLQPV-UHFFFAOYSA-N 1 1 364.470 5.166 50 0 FKAAMO CCc1cc([C@@H]2CCC[N@H+]2Cc2cccc(OCc3ccccc3)c2)on1 ZINC000064984365 221161711 /nfs/dbraw/zinc/16/17/11/221161711.db2.gz UUQKEBCJXHMKNU-QFIPXVFZSA-N 1 1 362.473 5.153 50 0 FKAAMO CCc1cc([C@H]2CCC[N@H+]2Cc2cccc(OCc3ccccc3)c2)on1 ZINC000064984367 221161366 /nfs/dbraw/zinc/16/13/66/221161366.db2.gz UUQKEBCJXHMKNU-JOCHJYFZSA-N 1 1 362.473 5.153 50 0 FKAAMO CCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OCc3ccccc3)cc2)on1 ZINC000064984382 221161668 /nfs/dbraw/zinc/16/16/68/221161668.db2.gz WOOMTWIKIPLYCZ-QFIPXVFZSA-N 1 1 362.473 5.153 50 0 FKAAMO CCc1cc([C@H]2CCC[N@H+]2Cc2ccc(OCc3ccccc3)cc2)on1 ZINC000064984384 571141502 /nfs/dbraw/zinc/14/15/02/571141502.db2.gz WOOMTWIKIPLYCZ-JOCHJYFZSA-N 1 1 362.473 5.153 50 0 FKAAMO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)ccc1OCC(C)C ZINC000064984484 221161726 /nfs/dbraw/zinc/16/17/26/221161726.db2.gz UAPMNNNWNOIYJI-LJQANCHMSA-N 1 1 372.509 5.179 50 0 FKAAMO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)ccc1OCC(C)C ZINC000064984484 221161723 /nfs/dbraw/zinc/16/17/23/221161723.db2.gz UAPMNNNWNOIYJI-LJQANCHMSA-N 1 1 372.509 5.179 50 0 FKAAMO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)ccc1OCC(C)C ZINC000064984487 221161825 /nfs/dbraw/zinc/16/18/25/221161825.db2.gz UAPMNNNWNOIYJI-IBGZPJMESA-N 1 1 372.509 5.179 50 0 FKAAMO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)ccc1OCC(C)C ZINC000064984487 221161823 /nfs/dbraw/zinc/16/18/23/221161823.db2.gz UAPMNNNWNOIYJI-IBGZPJMESA-N 1 1 372.509 5.179 50 0 FKAAMO Cc1ccc(-c2cc([C@@H]3CC[N@@H+](Cc4ccoc4)C3)ccn2)c2cccnc12 ZINC000065375918 205341580 /nfs/dbraw/zinc/34/15/80/205341580.db2.gz VQYANHKXJLBDTH-HXUWFJFHSA-N 1 1 369.468 5.188 50 0 FKAAMO Cc1ccc(-c2cc([C@H]3CC[N@@H+](Cc4ccoc4)C3)ccn2)c2cccnc12 ZINC000065375919 571142607 /nfs/dbraw/zinc/14/26/07/571142607.db2.gz VQYANHKXJLBDTH-FQEVSTJZSA-N 1 1 369.468 5.188 50 0 FKAAMO Cc1[nH+]ccn1CCn1cnc(-c2ccccc2)c1-c1cc2ccccc2o1 ZINC000065403297 221211814 /nfs/dbraw/zinc/21/18/14/221211814.db2.gz XVKCILKOMCSUMK-UHFFFAOYSA-N 1 1 368.440 5.168 50 0 FKAAMO Cc1cccc(C)c1NC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccco2)c1 ZINC000065525673 571144489 /nfs/dbraw/zinc/14/44/89/571144489.db2.gz SZWHMTQXRBZBNS-SFHVURJKSA-N 1 1 362.473 5.342 50 0 FKAAMO Cc1cccc(C)c1NC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccco2)c1 ZINC000065525673 571144488 /nfs/dbraw/zinc/14/44/88/571144488.db2.gz SZWHMTQXRBZBNS-SFHVURJKSA-N 1 1 362.473 5.342 50 0 FKAAMO Cc1cccc(C)c1NC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccco2)c1 ZINC000065525675 571144524 /nfs/dbraw/zinc/14/45/24/571144524.db2.gz SZWHMTQXRBZBNS-GOSISDBHSA-N 1 1 362.473 5.342 50 0 FKAAMO Cc1cccc(C)c1NC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccco2)c1 ZINC000065525675 571144522 /nfs/dbraw/zinc/14/45/22/571144522.db2.gz SZWHMTQXRBZBNS-GOSISDBHSA-N 1 1 362.473 5.342 50 0 FKAAMO c1coc(C[N@H+]2CC[C@@H](c3ccnc(-c4cc5ccccc5s4)c3)C2)c1 ZINC000065525788 571144583 /nfs/dbraw/zinc/14/45/83/571144583.db2.gz JJJNZPZKNFLOAL-GOSISDBHSA-N 1 1 360.482 5.546 50 0 FKAAMO c1coc(C[N@H+]2CC[C@H](c3ccnc(-c4cc5ccccc5s4)c3)C2)c1 ZINC000065525789 571144500 /nfs/dbraw/zinc/14/45/00/571144500.db2.gz JJJNZPZKNFLOAL-SFHVURJKSA-N 1 1 360.482 5.546 50 0 FKAAMO CC(=O)c1cc(C[N@H+]2CC[C@H](c3ccnc(-c4ccccc4)c3)C2)cs1 ZINC000065526096 221229692 /nfs/dbraw/zinc/22/96/92/221229692.db2.gz LTXUHKMGPCENLU-FQEVSTJZSA-N 1 1 362.498 5.002 50 0 FKAAMO CC(=O)c1cc(C[N@H+]2CC[C@@H](c3ccnc(-c4ccccc4)c3)C2)cs1 ZINC000065526097 205356744 /nfs/dbraw/zinc/35/67/44/205356744.db2.gz LTXUHKMGPCENLU-HXUWFJFHSA-N 1 1 362.498 5.002 50 0 FKAAMO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)Cc1cccc2ccccc21 ZINC000065541426 221232632 /nfs/dbraw/zinc/23/26/32/221232632.db2.gz VQSRNIVFUJPYLE-HNNXBMFYSA-N 1 1 365.427 5.778 50 0 FKAAMO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)Cc1cccc2ccccc21 ZINC000065541429 221232551 /nfs/dbraw/zinc/23/25/51/221232551.db2.gz VQSRNIVFUJPYLE-OAHLLOKOSA-N 1 1 365.427 5.778 50 0 FKAAMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](Cc1nc2ccccc2o1)C1CC1 ZINC000065551045 205358093 /nfs/dbraw/zinc/35/80/93/205358093.db2.gz USMIHMMKGKAUSV-ZDUSSCGKSA-N 1 1 360.379 5.572 50 0 FKAAMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1nc2ccccc2o1)C1CC1 ZINC000065551045 205358089 /nfs/dbraw/zinc/35/80/89/205358089.db2.gz USMIHMMKGKAUSV-ZDUSSCGKSA-N 1 1 360.379 5.572 50 0 FKAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](Cc1nc2ccccc2o1)C1CC1 ZINC000065551048 571264603 /nfs/dbraw/zinc/26/46/03/571264603.db2.gz USMIHMMKGKAUSV-CYBMUJFWSA-N 1 1 360.379 5.572 50 0 FKAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1nc2ccccc2o1)C1CC1 ZINC000065551048 571264601 /nfs/dbraw/zinc/26/46/01/571264601.db2.gz USMIHMMKGKAUSV-CYBMUJFWSA-N 1 1 360.379 5.572 50 0 FKAAMO COc1ccc(-c2nc(C[NH+]3CCC(F)(F)CC3)c(C)o2)c2ccccc12 ZINC000067432705 571146659 /nfs/dbraw/zinc/14/66/59/571146659.db2.gz MROQIWYRAFRCFU-UHFFFAOYSA-N 1 1 372.415 5.043 50 0 FKAAMO CCc1ccc(C[N@H+]2CCc3onc(-c4cccc5ccccc54)c3C2)nc1 ZINC000067540056 205375249 /nfs/dbraw/zinc/37/52/49/205375249.db2.gz YEGCUOGIMSTFSI-UHFFFAOYSA-N 1 1 369.468 5.011 50 0 FKAAMO CCc1ccc(C[N@@H+]2CCc3onc(-c4cccc5ccccc54)c3C2)nc1 ZINC000067540056 205375245 /nfs/dbraw/zinc/37/52/45/205375245.db2.gz YEGCUOGIMSTFSI-UHFFFAOYSA-N 1 1 369.468 5.011 50 0 FKAAMO Cc1cc(C[N@H+]2CCc3onc(-c4cccc5ccccc54)c3C2)ccc1O ZINC000067588492 221261198 /nfs/dbraw/zinc/26/11/98/221261198.db2.gz CGWBVVFAYPZZHV-UHFFFAOYSA-N 1 1 370.452 5.067 50 0 FKAAMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067757504 571149232 /nfs/dbraw/zinc/14/92/32/571149232.db2.gz LKNWPKPFHKYCOE-QHCPKHFHSA-N 1 1 368.484 5.042 50 0 FKAAMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067757509 205389230 /nfs/dbraw/zinc/38/92/30/205389230.db2.gz LKNWPKPFHKYCOE-HSZRJFAPSA-N 1 1 368.484 5.042 50 0 FKAAMO Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccccc3F)cc2n1 ZINC000068675251 571153376 /nfs/dbraw/zinc/15/33/76/571153376.db2.gz FUOXBZISWPXQRR-QHCPKHFHSA-N 1 1 357.432 5.587 50 0 FKAAMO Cc1ccc2ccc([C@@H](Nc3cccc(C)[nH+]3)c3ccccc3F)cc2n1 ZINC000068675252 221316268 /nfs/dbraw/zinc/31/62/68/221316268.db2.gz FUOXBZISWPXQRR-HSZRJFAPSA-N 1 1 357.432 5.587 50 0 FKAAMO Cc1ccc2ccc([C@@H](Nc3cccc(C)[nH+]3)c3ccc(F)cc3)cc2n1 ZINC000068675253 221316898 /nfs/dbraw/zinc/31/68/98/221316898.db2.gz OCNSGNSTZHSCHW-QHCPKHFHSA-N 1 1 357.432 5.587 50 0 FKAAMO Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccc(F)cc3)cc2n1 ZINC000068675254 221316708 /nfs/dbraw/zinc/31/67/08/221316708.db2.gz OCNSGNSTZHSCHW-HSZRJFAPSA-N 1 1 357.432 5.587 50 0 FKAAMO Cc1ccc(C)c(-c2csc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000069384054 571097855 /nfs/dbraw/zinc/09/78/55/571097855.db2.gz SBRAFHHZFCAWFC-NRFANRHFSA-N 1 1 364.514 5.000 50 0 FKAAMO Cc1ccc(C)c(-c2csc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000069384054 571097853 /nfs/dbraw/zinc/09/78/53/571097853.db2.gz SBRAFHHZFCAWFC-NRFANRHFSA-N 1 1 364.514 5.000 50 0 FKAAMO Cc1ccc(C)c(-c2csc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000069384060 571097730 /nfs/dbraw/zinc/09/77/30/571097730.db2.gz SBRAFHHZFCAWFC-OAQYLSRUSA-N 1 1 364.514 5.000 50 0 FKAAMO Cc1ccc(C)c(-c2csc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000069384060 571097728 /nfs/dbraw/zinc/09/77/28/571097728.db2.gz SBRAFHHZFCAWFC-OAQYLSRUSA-N 1 1 364.514 5.000 50 0 FKAAMO c1csc(-c2noc(C[N@H+]3CCC[C@H]3c3cccc4ccccc43)n2)c1 ZINC000069951097 571106268 /nfs/dbraw/zinc/10/62/68/571106268.db2.gz DPTKCQJEYNHOHK-SFHVURJKSA-N 1 1 361.470 5.288 50 0 FKAAMO c1csc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccc4ccccc43)n2)c1 ZINC000069951098 571106063 /nfs/dbraw/zinc/10/60/63/571106063.db2.gz DPTKCQJEYNHOHK-GOSISDBHSA-N 1 1 361.470 5.288 50 0 FKAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000070020739 571108258 /nfs/dbraw/zinc/10/82/58/571108258.db2.gz GWHUYIDKQZKGBD-AWEZNQCLSA-N 1 1 374.315 5.397 50 0 FKAAMO CC(C)[PH+](c1ccccc1-n1c2ccccc2c2ccccc21)C(C)C ZINC000071773602 571166518 /nfs/dbraw/zinc/16/65/18/571166518.db2.gz LVZFAAVQZRSWHJ-UHFFFAOYSA-N 1 1 359.453 6.708 50 0 FKAAMO Fc1ccccc1OCC[N@H+]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000071793212 221375890 /nfs/dbraw/zinc/37/58/90/221375890.db2.gz HRRWAYQWNKXJQD-KRWDZBQOSA-N 1 1 356.466 5.041 50 0 FKAAMO Fc1ccccc1OCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000071793212 221375888 /nfs/dbraw/zinc/37/58/88/221375888.db2.gz HRRWAYQWNKXJQD-KRWDZBQOSA-N 1 1 356.466 5.041 50 0 FKAAMO Fc1ccccc1OCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000071793213 571270424 /nfs/dbraw/zinc/27/04/24/571270424.db2.gz HRRWAYQWNKXJQD-QGZVFWFLSA-N 1 1 356.466 5.041 50 0 FKAAMO Fc1ccccc1OCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000071793213 571270422 /nfs/dbraw/zinc/27/04/22/571270422.db2.gz HRRWAYQWNKXJQD-QGZVFWFLSA-N 1 1 356.466 5.041 50 0 FKAAMO FC(F)(F)c1cccc(CC[C@@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC000072132154 571171021 /nfs/dbraw/zinc/17/10/21/571171021.db2.gz FJTIBVCUDOGFBQ-HNNXBMFYSA-N 1 1 354.441 5.007 50 0 FKAAMO FC(F)(F)c1cccc(CC[C@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC000072132155 571170990 /nfs/dbraw/zinc/17/09/90/571170990.db2.gz FJTIBVCUDOGFBQ-OAHLLOKOSA-N 1 1 354.441 5.007 50 0 FKAAMO FC(F)(F)c1ccccc1CC[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000072154601 571175140 /nfs/dbraw/zinc/17/51/40/571175140.db2.gz PCCGLBNKQYFKFC-AWEZNQCLSA-N 1 1 354.441 5.007 50 0 FKAAMO FC(F)(F)c1ccccc1CC[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000072154601 571175139 /nfs/dbraw/zinc/17/51/39/571175139.db2.gz PCCGLBNKQYFKFC-AWEZNQCLSA-N 1 1 354.441 5.007 50 0 FKAAMO FC(F)(F)c1ccccc1CC[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000072154602 571175165 /nfs/dbraw/zinc/17/51/65/571175165.db2.gz PCCGLBNKQYFKFC-CQSZACIVSA-N 1 1 354.441 5.007 50 0 FKAAMO FC(F)(F)c1ccccc1CC[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000072154602 571175163 /nfs/dbraw/zinc/17/51/63/571175163.db2.gz PCCGLBNKQYFKFC-CQSZACIVSA-N 1 1 354.441 5.007 50 0 FKAAMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072305265 571061651 /nfs/dbraw/zinc/06/16/51/571061651.db2.gz DHMWXFMXBOQOSR-LEWJYISDSA-N 1 1 368.546 5.045 50 0 FKAAMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072305266 571061624 /nfs/dbraw/zinc/06/16/24/571061624.db2.gz DHMWXFMXBOQOSR-SFTDATJTSA-N 1 1 368.546 5.045 50 0 FKAAMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072305267 571061436 /nfs/dbraw/zinc/06/14/36/571061436.db2.gz DHMWXFMXBOQOSR-NHCUHLMSSA-N 1 1 368.546 5.045 50 0 FKAAMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072305268 571061562 /nfs/dbraw/zinc/06/15/62/571061562.db2.gz DHMWXFMXBOQOSR-RTWAWAEBSA-N 1 1 368.546 5.045 50 0 FKAAMO Cc1csc(C2([NH2+]Cc3ccccc3Oc3cccnc3)CCCC2)n1 ZINC000072308886 571066908 /nfs/dbraw/zinc/06/69/08/571066908.db2.gz QAGXQBBFKFJABQ-UHFFFAOYSA-N 1 1 365.502 5.198 50 0 FKAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CC[C@@H](C)CC(C)(C)C4)[C@H]3C=C12 ZINC000072324085 570537971 /nfs/dbraw/zinc/53/79/71/570537971.db2.gz PYBYTHWIXNGPQO-WKVNBUBUSA-N 1 1 373.581 5.059 50 0 FKAAMO Cc1cccc2cc(C[N@H+]3CCc4ncccc4C3)c(-c3cccs3)nc12 ZINC000072423548 571193980 /nfs/dbraw/zinc/19/39/80/571193980.db2.gz DRXHNRJTTHLTNP-UHFFFAOYSA-N 1 1 371.509 5.225 50 0 FKAAMO Cc1cccc2cc(C[N@@H+]3CCc4ncccc4C3)c(-c3cccs3)nc12 ZINC000072423548 571193978 /nfs/dbraw/zinc/19/39/78/571193978.db2.gz DRXHNRJTTHLTNP-UHFFFAOYSA-N 1 1 371.509 5.225 50 0 FKAAMO Cc1cc(C[N@H+](C)Cc2cc3cccc(C)c3nc2-c2cccs2)on1 ZINC000072477479 571199159 /nfs/dbraw/zinc/19/91/59/571199159.db2.gz MGRBQVYQLBXCMZ-UHFFFAOYSA-N 1 1 363.486 5.200 50 0 FKAAMO Cc1cc(C[N@@H+](C)Cc2cc3cccc(C)c3nc2-c2cccs2)on1 ZINC000072477479 571199156 /nfs/dbraw/zinc/19/91/56/571199156.db2.gz MGRBQVYQLBXCMZ-UHFFFAOYSA-N 1 1 363.486 5.200 50 0 FKAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H]1C(O)(C1CCCCC1)C1CCCCC1 ZINC000075245294 571158337 /nfs/dbraw/zinc/15/83/37/571158337.db2.gz CKNQGYBCGDCJJQ-AUSIDOKSSA-N 1 1 355.566 5.714 50 0 FKAAMO C[C@@H](c1nc2ccccc2n1C)[N@@H+](C)C(c1ccccc1)c1ccccc1 ZINC000075253373 571158510 /nfs/dbraw/zinc/15/85/10/571158510.db2.gz OHZVZSBZDMZRNM-SFHVURJKSA-N 1 1 355.485 5.356 50 0 FKAAMO C[C@@H](c1nc2ccccc2n1C)[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC000075253373 571158509 /nfs/dbraw/zinc/15/85/09/571158509.db2.gz OHZVZSBZDMZRNM-SFHVURJKSA-N 1 1 355.485 5.356 50 0 FKAAMO C[C@H](c1nc2ccccc2n1C)[N@@H+](C)C(c1ccccc1)c1ccccc1 ZINC000075253376 571158496 /nfs/dbraw/zinc/15/84/96/571158496.db2.gz OHZVZSBZDMZRNM-GOSISDBHSA-N 1 1 355.485 5.356 50 0 FKAAMO C[C@H](c1nc2ccccc2n1C)[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC000075253376 571158494 /nfs/dbraw/zinc/15/84/94/571158494.db2.gz OHZVZSBZDMZRNM-GOSISDBHSA-N 1 1 355.485 5.356 50 0 FKAAMO C[N@H+]1CCC[C@H](Oc2ccc(/C=C/c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000075253439 571158488 /nfs/dbraw/zinc/15/84/88/571158488.db2.gz LWJFYUCNSCJYQW-SGSXCFNPSA-N 1 1 361.407 5.349 50 0 FKAAMO C[N@H+]1CCC[C@@H](Oc2ccc(/C=C/c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000075253442 571158651 /nfs/dbraw/zinc/15/86/51/571158651.db2.gz LWJFYUCNSCJYQW-DPZZJQGRSA-N 1 1 361.407 5.349 50 0 FKAAMO Cl/C(=C1/SC(c2ccccc2)=CN1c1cc[nH+]cc1)c1ccccc1 ZINC000075259769 571158580 /nfs/dbraw/zinc/15/85/80/571158580.db2.gz VBOZLGXOCGLRAY-QZQOTICOSA-N 1 1 362.885 6.199 50 0 FKAAMO CC1(C)S[C@@H](COc2cccc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000075260364 571158826 /nfs/dbraw/zinc/15/88/26/571158826.db2.gz IDBZSTZUHWYNMI-HXUWFJFHSA-N 1 1 363.526 5.572 50 0 FKAAMO CC1(C)S[C@@H](COc2cccc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000075260364 571158825 /nfs/dbraw/zinc/15/88/25/571158825.db2.gz IDBZSTZUHWYNMI-HXUWFJFHSA-N 1 1 363.526 5.572 50 0 FKAAMO CC1(C)S[C@H](COc2cccc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000075260365 571158781 /nfs/dbraw/zinc/15/87/81/571158781.db2.gz IDBZSTZUHWYNMI-FQEVSTJZSA-N 1 1 363.526 5.572 50 0 FKAAMO CC1(C)S[C@H](COc2cccc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000075260365 571158779 /nfs/dbraw/zinc/15/87/79/571158779.db2.gz IDBZSTZUHWYNMI-FQEVSTJZSA-N 1 1 363.526 5.572 50 0 FKAAMO CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H]1CCCC[C@@]1([NH+]1CCCC1)O2 ZINC000075260956 571158565 /nfs/dbraw/zinc/15/85/65/571158565.db2.gz MZCPFRPPAHHLTI-GBXCKJPGSA-N 1 1 371.565 5.788 50 0 FKAAMO CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H]1CCCC[C@]1([NH+]1CCCC1)O2 ZINC000075260957 571158538 /nfs/dbraw/zinc/15/85/38/571158538.db2.gz MZCPFRPPAHHLTI-RDPSFJRHSA-N 1 1 371.565 5.788 50 0 FKAAMO CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H]1CCCC[C@@]1([NH+]1CCCC1)O2 ZINC000075260958 571158607 /nfs/dbraw/zinc/15/86/07/571158607.db2.gz MZCPFRPPAHHLTI-HYBUGGRVSA-N 1 1 371.565 5.788 50 0 FKAAMO CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H]1CCCC[C@]1([NH+]1CCCC1)O2 ZINC000075260959 571158519 /nfs/dbraw/zinc/15/85/19/571158519.db2.gz MZCPFRPPAHHLTI-YKSBVNFPSA-N 1 1 371.565 5.788 50 0 FKAAMO COc1ccccc1[NH+]=P(N1CCOCC1)(C(C)(C)C)C(C)(C)C ZINC000075278804 571159462 /nfs/dbraw/zinc/15/94/62/571159462.db2.gz CGRLGTFXEWUXAH-UHFFFAOYSA-N 1 1 352.459 5.372 50 0 FKAAMO CCCc1nc2ccc(CCC(=O)Nc3ccc(Cl)cc3C)cc2[nH]1 ZINC000075465615 571186230 /nfs/dbraw/zinc/18/62/30/571186230.db2.gz FFZPNGFVSHDETN-UHFFFAOYSA-N 1 1 355.869 5.049 50 0 FKAAMO CCCc1nc2ccc(CCC(=O)Nc3cc(Cl)ccc3C)cc2[nH]1 ZINC000075465617 571186242 /nfs/dbraw/zinc/18/62/42/571186242.db2.gz DBFPURALNQKRCW-UHFFFAOYSA-N 1 1 355.869 5.049 50 0 FKAAMO CCCc1nc2ccc(CCC(=O)Nc3cccc(Cl)c3C)cc2[nH]1 ZINC000075465634 571186099 /nfs/dbraw/zinc/18/60/99/571186099.db2.gz GRABTSOMXMNQCZ-UHFFFAOYSA-N 1 1 355.869 5.049 50 0 FKAAMO CCCc1nc2ccc(CCC(=O)Nc3ccc(C)c(Cl)c3)cc2[nH]1 ZINC000075465635 571186191 /nfs/dbraw/zinc/18/61/91/571186191.db2.gz KBNXFEUJCNBTSM-UHFFFAOYSA-N 1 1 355.869 5.049 50 0 FKAAMO CCCc1nc2ccc(CCC(=O)Nc3ccc(C)cc3Cl)cc2[nH]1 ZINC000075465640 571186293 /nfs/dbraw/zinc/18/62/93/571186293.db2.gz XYQAULOWVVQDDI-UHFFFAOYSA-N 1 1 355.869 5.049 50 0 FKAAMO CC(C)c1nc2ccc(CCC(=O)Nc3ccc(F)c(Cl)c3)cc2[nH]1 ZINC000075465715 571186300 /nfs/dbraw/zinc/18/63/00/571186300.db2.gz VOGUUNDQADWLAZ-UHFFFAOYSA-N 1 1 359.832 5.050 50 0 FKAAMO Cc1cc(Cl)ccc1NC(=O)CCc1ccc2nc(C(C)C)[nH]c2c1 ZINC000075465726 571186216 /nfs/dbraw/zinc/18/62/16/571186216.db2.gz HRLYHTUENHSUEU-UHFFFAOYSA-N 1 1 355.869 5.219 50 0 FKAAMO Cc1c(Cl)cccc1NC(=O)CCc1ccc2nc(C(C)C)[nH]c2c1 ZINC000075465738 571186073 /nfs/dbraw/zinc/18/60/73/571186073.db2.gz IFGGIUNUWYALQS-UHFFFAOYSA-N 1 1 355.869 5.219 50 0 FKAAMO Cc1ccc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)cc1Cl ZINC000075465740 571186331 /nfs/dbraw/zinc/18/63/31/571186331.db2.gz WSWZJOFIXZYLDY-UHFFFAOYSA-N 1 1 355.869 5.219 50 0 FKAAMO CC(C)Oc1ccc(C[NH2+][C@@H](c2nc(-c3ccccc3)no2)C(C)C)cc1 ZINC000075572842 571200992 /nfs/dbraw/zinc/20/09/92/571200992.db2.gz QMJZUWWZQFRAMG-HXUWFJFHSA-N 1 1 365.477 5.011 50 0 FKAAMO C[C@H](c1ccccc1)[N@@H+]1CC=C(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000079917105 571218232 /nfs/dbraw/zinc/21/82/32/571218232.db2.gz ZXINDPIOCYKBQG-OAQYLSRUSA-N 1 1 369.508 6.116 50 0 FKAAMO COc1cccc(C[N@@H+](C)[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)c1 ZINC000084061256 525918994 /nfs/dbraw/zinc/91/89/94/525918994.db2.gz LNFYMIBGVGPSNJ-OAHLLOKOSA-N 1 1 370.880 5.505 50 0 FKAAMO COc1cccc(C[N@H+](C)[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)c1 ZINC000084061256 525918984 /nfs/dbraw/zinc/91/89/84/525918984.db2.gz LNFYMIBGVGPSNJ-OAHLLOKOSA-N 1 1 370.880 5.505 50 0 FKAAMO COc1cccc(C[N@@H+](C)[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)c1 ZINC000084061263 525917701 /nfs/dbraw/zinc/91/77/01/525917701.db2.gz LNFYMIBGVGPSNJ-HNNXBMFYSA-N 1 1 370.880 5.505 50 0 FKAAMO COc1cccc(C[N@H+](C)[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)c1 ZINC000084061263 525917690 /nfs/dbraw/zinc/91/76/90/525917690.db2.gz LNFYMIBGVGPSNJ-HNNXBMFYSA-N 1 1 370.880 5.505 50 0 FKAAMO CC(C)[C@H](C)[N@@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CC1 ZINC000084409913 571084937 /nfs/dbraw/zinc/08/49/37/571084937.db2.gz LGHBADKFWALNKN-NSHDSACASA-N 1 1 354.281 5.052 50 0 FKAAMO C[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)c1nc(-c2cccs2)no1 ZINC000084699973 571097233 /nfs/dbraw/zinc/09/72/33/571097233.db2.gz OISRMBQTOIQUIE-HNNXBMFYSA-N 1 1 368.506 5.208 50 0 FKAAMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)c1nc(-c2cccs2)no1 ZINC000084699975 571097270 /nfs/dbraw/zinc/09/72/70/571097270.db2.gz OISRMBQTOIQUIE-OAHLLOKOSA-N 1 1 368.506 5.208 50 0 FKAAMO CCn1c(C)nnc1C[NH2+][C@@H](c1ccc(C2CCCCC2)cc1)C(C)C ZINC000089300559 523153581 /nfs/dbraw/zinc/15/35/81/523153581.db2.gz OVJAVMGRIABKHT-JOCHJYFZSA-N 1 1 354.542 5.141 50 0 FKAAMO CCn1c(C)nnc1C[NH2+][C@H](c1ccc(C2CCCCC2)cc1)C(C)C ZINC000089300562 523157220 /nfs/dbraw/zinc/15/72/20/523157220.db2.gz OVJAVMGRIABKHT-QFIPXVFZSA-N 1 1 354.542 5.141 50 0 FKAAMO C[N@@H+](CCCNc1cc(C(F)(F)F)nc2ccccc21)C1CCCCC1 ZINC000089346026 522773188 /nfs/dbraw/zinc/77/31/88/522773188.db2.gz JTYYNZAOFAITGG-UHFFFAOYSA-N 1 1 365.443 5.320 50 0 FKAAMO C[N@@H+](CCCNc1cc(C(F)(F)F)nc2ccccc21)Cc1ccccc1 ZINC000089346028 522771505 /nfs/dbraw/zinc/77/15/05/522771505.db2.gz RDCAJDULOLPCGV-UHFFFAOYSA-N 1 1 373.422 5.188 50 0 FKAAMO Cc1cc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2[nH+]1 ZINC000089583088 571212696 /nfs/dbraw/zinc/21/26/96/571212696.db2.gz QYEVTMLGKYPYOM-UHFFFAOYSA-N 1 1 365.908 5.273 50 0 FKAAMO c1coc(-c2oncc2C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000089797916 571273371 /nfs/dbraw/zinc/27/33/71/571273371.db2.gz GAJLFUIMJNJDBF-GOSISDBHSA-N 1 1 368.483 5.205 50 0 FKAAMO c1coc(-c2oncc2C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000089797916 571273370 /nfs/dbraw/zinc/27/33/70/571273370.db2.gz GAJLFUIMJNJDBF-GOSISDBHSA-N 1 1 368.483 5.205 50 0 FKAAMO c1coc(-c2oncc2C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000089797918 571273297 /nfs/dbraw/zinc/27/32/97/571273297.db2.gz GAJLFUIMJNJDBF-SFHVURJKSA-N 1 1 368.483 5.205 50 0 FKAAMO c1coc(-c2oncc2C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000089797918 571273296 /nfs/dbraw/zinc/27/32/96/571273296.db2.gz GAJLFUIMJNJDBF-SFHVURJKSA-N 1 1 368.483 5.205 50 0 FKAAMO c1nc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)oc1-c1ccccc1 ZINC000089851247 526595146 /nfs/dbraw/zinc/59/51/46/526595146.db2.gz SHWWGKRUNLHGSL-UHFFFAOYSA-N 1 1 355.441 5.112 50 0 FKAAMO c1nc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)oc1-c1ccccc1 ZINC000089851247 526595141 /nfs/dbraw/zinc/59/51/41/526595141.db2.gz SHWWGKRUNLHGSL-UHFFFAOYSA-N 1 1 355.441 5.112 50 0 FKAAMO c1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000089851337 571273699 /nfs/dbraw/zinc/27/36/99/571273699.db2.gz FNIFBUIEEGRTQL-UHFFFAOYSA-N 1 1 355.441 5.112 50 0 FKAAMO c1[nH]c2ccccc2c1C1=CC[N@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000089851337 571273698 /nfs/dbraw/zinc/27/36/98/571273698.db2.gz FNIFBUIEEGRTQL-UHFFFAOYSA-N 1 1 355.441 5.112 50 0 FKAAMO CC(C)n1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000095366051 209031572 /nfs/dbraw/zinc/03/15/72/209031572.db2.gz DGIYDWWAQLOKMN-OAHLLOKOSA-N 1 1 369.406 5.002 50 0 FKAAMO CC(C)n1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000095366052 570455559 /nfs/dbraw/zinc/45/55/59/570455559.db2.gz DGIYDWWAQLOKMN-HNNXBMFYSA-N 1 1 369.406 5.002 50 0 FKAAMO CC(C)n1cc[nH+]c1[C@@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 ZINC000095384124 535097582 /nfs/dbraw/zinc/09/75/82/535097582.db2.gz VHHBGJYOYSIKFE-MRXNPFEDSA-N 1 1 354.885 5.050 50 0 FKAAMO CC(C)n1cc[nH+]c1[C@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 ZINC000095384125 535098320 /nfs/dbraw/zinc/09/83/20/535098320.db2.gz VHHBGJYOYSIKFE-INIZCTEOSA-N 1 1 354.885 5.050 50 0 FKAAMO CCCCn1cc[nH+]c1[C@@H]1CCCN(c2cc(C)c3cc(F)ccc3n2)C1 ZINC000095390143 535153523 /nfs/dbraw/zinc/15/35/23/535153523.db2.gz CBMDCCCKUHFXGS-QGZVFWFLSA-N 1 1 366.484 5.063 50 0 FKAAMO CCCCn1cc[nH+]c1[C@H]1CCCN(c2cc(C)c3cc(F)ccc3n2)C1 ZINC000095390144 535153900 /nfs/dbraw/zinc/15/39/00/535153900.db2.gz CBMDCCCKUHFXGS-KRWDZBQOSA-N 1 1 366.484 5.063 50 0 FKAAMO c1coc(C[N@@H+](Cc2cccs2)Cc2cnoc2-c2cccs2)c1 ZINC000095437971 571329671 /nfs/dbraw/zinc/32/96/71/571329671.db2.gz BVSFFUQHCGBICH-UHFFFAOYSA-N 1 1 356.472 5.260 50 0 FKAAMO c1coc(C[N@H+](Cc2cccs2)Cc2cnoc2-c2cccs2)c1 ZINC000095437971 571329670 /nfs/dbraw/zinc/32/96/70/571329670.db2.gz BVSFFUQHCGBICH-UHFFFAOYSA-N 1 1 356.472 5.260 50 0 FKAAMO Cc1cc(C)n(-c2ccc([C@@H](C)[NH2+][C@@H](C)c3c(F)cccc3F)cc2)n1 ZINC000095462663 571330243 /nfs/dbraw/zinc/33/02/43/571330243.db2.gz KIVWDYWOZVVRFT-CVEARBPZSA-N 1 1 355.432 5.179 50 0 FKAAMO Cc1cc(C)n(-c2ccc([C@H](C)[NH2+][C@@H](C)c3c(F)cccc3F)cc2)n1 ZINC000095462664 571330245 /nfs/dbraw/zinc/33/02/45/571330245.db2.gz KIVWDYWOZVVRFT-HOTGVXAUSA-N 1 1 355.432 5.179 50 0 FKAAMO Cc1cc(C)n(-c2ccc([C@@H](C)[NH2+][C@H](C)c3c(F)cccc3F)cc2)n1 ZINC000095462665 571330287 /nfs/dbraw/zinc/33/02/87/571330287.db2.gz KIVWDYWOZVVRFT-HZPDHXFCSA-N 1 1 355.432 5.179 50 0 FKAAMO Cc1cc(C)n(-c2ccc([C@H](C)[NH2+][C@H](C)c3c(F)cccc3F)cc2)n1 ZINC000095462666 571330264 /nfs/dbraw/zinc/33/02/64/571330264.db2.gz KIVWDYWOZVVRFT-JKSUJKDBSA-N 1 1 355.432 5.179 50 0 FKAAMO Cc1cc(N2CCC(c3[nH+]ccn3C(C)C)CC2)nc2cc(Cl)ccc12 ZINC000095501914 132212196 /nfs/dbraw/zinc/21/21/96/132212196.db2.gz UGJYTTOJRFLYCW-UHFFFAOYSA-N 1 1 368.912 5.358 50 0 FKAAMO Clc1c2ccccc2sc1C[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000095956346 571332935 /nfs/dbraw/zinc/33/29/35/571332935.db2.gz ZCZXDCNCGPLOOY-NRFANRHFSA-N 1 1 364.901 5.829 50 0 FKAAMO Cc1cnc([C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)C2CC2)s1 ZINC000095961935 571333031 /nfs/dbraw/zinc/33/30/31/571333031.db2.gz ORIMVUTWWMXYLA-LJQANCHMSA-N 1 1 356.466 5.400 50 0 FKAAMO Cc1cnc([C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)C2CC2)s1 ZINC000095961936 571333045 /nfs/dbraw/zinc/33/30/45/571333045.db2.gz ORIMVUTWWMXYLA-IBGZPJMESA-N 1 1 356.466 5.400 50 0 FKAAMO FC(F)SCc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)o1 ZINC000095989242 571333512 /nfs/dbraw/zinc/33/35/12/571333512.db2.gz SYSBOBZOGQGVEA-HNNXBMFYSA-N 1 1 373.852 5.392 50 0 FKAAMO FC(F)SCc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)o1 ZINC000095989243 571333526 /nfs/dbraw/zinc/33/35/26/571333526.db2.gz SYSBOBZOGQGVEA-OAHLLOKOSA-N 1 1 373.852 5.392 50 0 FKAAMO c1ccc(OCCC[N@H+]2CCCC[C@H]2C2(c3ccccc3)CCCC2)cc1 ZINC000096027165 571334066 /nfs/dbraw/zinc/33/40/66/571334066.db2.gz SIGJRGFFKMQFIQ-DEOSSOPVSA-N 1 1 363.545 5.822 50 0 FKAAMO c1ccc(OCCC[N@H+]2CCCC[C@@H]2C2(c3ccccc3)CCCC2)cc1 ZINC000096027166 571334076 /nfs/dbraw/zinc/33/40/76/571334076.db2.gz SIGJRGFFKMQFIQ-XMMPIXPASA-N 1 1 363.545 5.822 50 0 FKAAMO O=C(CCC[N@@H+]1CC=C(Sc2ccccc2)CC1)c1ccc(F)cc1 ZINC000096028111 571334139 /nfs/dbraw/zinc/33/41/39/571334139.db2.gz YRKNGUUHVLXRBR-UHFFFAOYSA-N 1 1 355.478 5.171 50 0 FKAAMO Cc1[nH+]c2cc(Nc3nnc(-c4ccccc4)c4ccccc34)ccc2n1C ZINC000096900864 222136771 /nfs/dbraw/zinc/13/67/71/222136771.db2.gz XHGRJIRGPOOTHG-UHFFFAOYSA-N 1 1 365.440 5.236 50 0 FKAAMO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000097020291 571336632 /nfs/dbraw/zinc/33/66/32/571336632.db2.gz HUEYUIBZUXCWCB-GFCCVEGCSA-N 1 1 365.374 5.065 50 0 FKAAMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000097020292 222151793 /nfs/dbraw/zinc/15/17/93/222151793.db2.gz HUEYUIBZUXCWCB-LBPRGKRZSA-N 1 1 365.374 5.065 50 0 FKAAMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)cc1Br ZINC000097393783 222178577 /nfs/dbraw/zinc/17/85/77/222178577.db2.gz OAHQBBSTRVPNLM-QWRGUYRKSA-N 1 1 370.237 5.148 50 0 FKAAMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)cc1Br ZINC000097393784 570678909 /nfs/dbraw/zinc/67/89/09/570678909.db2.gz OAHQBBSTRVPNLM-MNOVXSKESA-N 1 1 370.237 5.148 50 0 FKAAMO COc1ccc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2F)cc1Br ZINC000097393785 570679093 /nfs/dbraw/zinc/67/90/93/570679093.db2.gz OAHQBBSTRVPNLM-WDEREUQCSA-N 1 1 370.237 5.148 50 0 FKAAMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2F)cc1Br ZINC000097393786 222179662 /nfs/dbraw/zinc/17/96/62/222179662.db2.gz OAHQBBSTRVPNLM-GHMZBOCLSA-N 1 1 370.237 5.148 50 0 FKAAMO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000097495152 570487914 /nfs/dbraw/zinc/48/79/14/570487914.db2.gz NFOFADRBJQBMMW-FQEVSTJZSA-N 1 1 367.518 5.012 50 0 FKAAMO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000097495152 570487910 /nfs/dbraw/zinc/48/79/10/570487910.db2.gz NFOFADRBJQBMMW-FQEVSTJZSA-N 1 1 367.518 5.012 50 0 FKAAMO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc([C@H]2CCCCO2)s1 ZINC000097495155 222185589 /nfs/dbraw/zinc/18/55/89/222185589.db2.gz NFOFADRBJQBMMW-HXUWFJFHSA-N 1 1 367.518 5.012 50 0 FKAAMO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc([C@H]2CCCCO2)s1 ZINC000097495155 222185583 /nfs/dbraw/zinc/18/55/83/222185583.db2.gz NFOFADRBJQBMMW-HXUWFJFHSA-N 1 1 367.518 5.012 50 0 FKAAMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2c(F)cccc2Cl)[C@H]2CCCC[C@@H]21 ZINC000097637828 209190478 /nfs/dbraw/zinc/19/04/78/209190478.db2.gz JYUOMKLASDVUOJ-YUXAGFNASA-N 1 1 373.899 5.131 50 0 FKAAMO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000101099554 571125814 /nfs/dbraw/zinc/12/58/14/571125814.db2.gz XXNRZZXPXAFYRJ-MNVNNWCQSA-N 1 1 357.497 5.328 50 0 FKAAMO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000101343535 222270648 /nfs/dbraw/zinc/27/06/48/222270648.db2.gz AQYWHUJCPVLQLO-ZFILCQGISA-N 1 1 371.524 5.414 50 0 FKAAMO O=C1CCCC2=C1C1(CCCCC1)[NH+]=C(Nc1nc3ccccc3s1)N2 ZINC000102674637 222304259 /nfs/dbraw/zinc/30/42/59/222304259.db2.gz KBSDGMWHTCGCIP-UHFFFAOYSA-N 1 1 366.490 5.218 50 0 FKAAMO c1ccc([C@@H]2C3=C(c4ccccc4CC3)[N@@H+]3CCO[C@@]34CCCC[C@H]24)cc1 ZINC000102692920 222305475 /nfs/dbraw/zinc/30/54/75/222305475.db2.gz CKZZOIDHUAISOG-VDKIKQQVSA-N 1 1 357.497 5.360 50 0 FKAAMO Cc1ccc(-c2ccc(C[NH2+]Cc3nc4ccccc4[nH]3)o2)cc1Cl ZINC000113397824 209335883 /nfs/dbraw/zinc/33/58/83/209335883.db2.gz VNFZUUZNWCNVCL-UHFFFAOYSA-N 1 1 351.837 5.075 50 0 FKAAMO Brc1ccc2c(C3=CC[N@@H+](Cc4ccccc4)CC3)c[nH]c2c1 ZINC000169677334 570801691 /nfs/dbraw/zinc/80/16/91/570801691.db2.gz QQRHOHREGPLUKV-UHFFFAOYSA-N 1 1 367.290 5.220 50 0 FKAAMO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(Cl)c(Cl)c1Cl ZINC000169950619 209374197 /nfs/dbraw/zinc/37/41/97/209374197.db2.gz RNTHWGPBLLUVLZ-TVQRCGJNSA-N 1 1 358.700 5.109 50 0 FKAAMO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(Cl)c(Cl)c1Cl ZINC000169950621 206130254 /nfs/dbraw/zinc/13/02/54/206130254.db2.gz RNTHWGPBLLUVLZ-NOZJJQNGSA-N 1 1 358.700 5.109 50 0 FKAAMO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(Cl)c(Cl)c1Cl ZINC000169950624 206130909 /nfs/dbraw/zinc/13/09/09/206130909.db2.gz RNTHWGPBLLUVLZ-ZANVPECISA-N 1 1 358.700 5.109 50 0 FKAAMO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(Cl)c(Cl)c1Cl ZINC000169950626 571258540 /nfs/dbraw/zinc/25/85/40/571258540.db2.gz RNTHWGPBLLUVLZ-RNCFNFMXSA-N 1 1 358.700 5.109 50 0 FKAAMO C[N@H+]1CCC[C@H](Oc2ccc(/C=C\c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000210970901 571129838 /nfs/dbraw/zinc/12/98/38/571129838.db2.gz LWJFYUCNSCJYQW-FBQMEGEOSA-N 1 1 361.407 5.349 50 0 FKAAMO Cl/C(=C1\SC(c2ccccc2)=CN1c1cc[nH+]cc1)c1ccccc1 ZINC000210975185 571129824 /nfs/dbraw/zinc/12/98/24/571129824.db2.gz VBOZLGXOCGLRAY-MRCUWXFGSA-N 1 1 362.885 6.199 50 0 FKAAMO CC(C)c1nc([C@H](C)[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)co1 ZINC000225410093 571033787 /nfs/dbraw/zinc/03/37/87/571033787.db2.gz YFGCXKQUQBXTBB-SUMWQHHRSA-N 1 1 354.416 5.865 50 0 FKAAMO CC(C)c1nc([C@@H](C)[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)co1 ZINC000225410135 571033770 /nfs/dbraw/zinc/03/37/70/571033770.db2.gz YFGCXKQUQBXTBB-CXAGYDPISA-N 1 1 354.416 5.865 50 0 FKAAMO CC(C)c1nc([C@H](C)[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C(C)C)co1 ZINC000225410175 571033685 /nfs/dbraw/zinc/03/36/85/571033685.db2.gz YFGCXKQUQBXTBB-GUYCJALGSA-N 1 1 354.416 5.865 50 0 FKAAMO CC(C)c1nc([C@@H](C)[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C(C)C)co1 ZINC000225410217 571033796 /nfs/dbraw/zinc/03/37/96/571033796.db2.gz YFGCXKQUQBXTBB-DYVFJYSZSA-N 1 1 354.416 5.865 50 0 FKAAMO CC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc2c1O[C@@H](c1ccsc1)OC2 ZINC000229656873 571178070 /nfs/dbraw/zinc/17/80/70/571178070.db2.gz MARXIEPXUFOSFT-QUCCMNQESA-N 1 1 361.482 5.260 50 0 FKAAMO CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc2c1O[C@@H](c1ccsc1)OC2 ZINC000229656882 210177221 /nfs/dbraw/zinc/17/72/21/210177221.db2.gz MARXIEPXUFOSFT-ICSRJNTNSA-N 1 1 361.482 5.260 50 0 FKAAMO COc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)ccc1OCc1ccccc1 ZINC000229911893 571095720 /nfs/dbraw/zinc/09/57/20/571095720.db2.gz IHNCFNGQGGJKIM-FCHUYYIVSA-N 1 1 365.517 5.429 50 0 FKAAMO Clc1ccc(Oc2cccc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)c2)cc1 ZINC000229912383 571095703 /nfs/dbraw/zinc/09/57/03/571095703.db2.gz RYCRTNPTJUFFBR-PGRDOPGGSA-N 1 1 355.909 6.287 50 0 FKAAMO C[N@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2Cl)C1 ZINC000230002862 571095681 /nfs/dbraw/zinc/09/56/81/571095681.db2.gz DOGYPPMIZGQYII-HOTGVXAUSA-N 1 1 368.691 5.175 50 0 FKAAMO CC(=O)c1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)cs1 ZINC000244673708 571316753 /nfs/dbraw/zinc/31/67/53/571316753.db2.gz HUGFWBFWTWUHBZ-REPLKXPHSA-N 1 1 357.494 5.309 50 0 FKAAMO C[C@@H]1CCC[C@@H](Nc2c(-c3ccsc3)[nH+]c3ccc(Cl)cn32)[C@H]1C ZINC000245258148 571095993 /nfs/dbraw/zinc/09/59/93/571095993.db2.gz LHRGJAIRHLMAGE-DVOMOZLQSA-N 1 1 359.926 5.953 50 0 FKAAMO C[C@@H]1CCC[C@H](Nc2c(-c3ccsc3)[nH+]c3ccc(Cl)cn32)[C@H]1C ZINC000245258149 571095981 /nfs/dbraw/zinc/09/59/81/571095981.db2.gz LHRGJAIRHLMAGE-WWGRRREGSA-N 1 1 359.926 5.953 50 0 FKAAMO CCCC[NH+](CCCC)CCCNCc1cn(CCC)c2ccccc12 ZINC000247970260 571316900 /nfs/dbraw/zinc/31/69/00/571316900.db2.gz CZGVVRJFEZHGDD-UHFFFAOYSA-N 1 1 357.586 5.433 50 0 FKAAMO CCCC[NH+](CCCC)CCCNCc1cn(C(C)C)c2ccccc12 ZINC000247990708 571317063 /nfs/dbraw/zinc/31/70/63/571317063.db2.gz KHIIBMOXTLKLDR-UHFFFAOYSA-N 1 1 357.586 5.604 50 0 FKAAMO Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H]3c3ccsc3)n2)cc1F ZINC000248074511 570596262 /nfs/dbraw/zinc/59/62/62/570596262.db2.gz AXAHUDQRZZTBHP-DYVFJYSZSA-N 1 1 357.454 5.144 50 0 FKAAMO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H]3c3ccsc3)n2)cc1F ZINC000248074511 570596260 /nfs/dbraw/zinc/59/62/60/570596260.db2.gz AXAHUDQRZZTBHP-DYVFJYSZSA-N 1 1 357.454 5.144 50 0 FKAAMO Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H]3c3ccsc3)n2)cc1F ZINC000248074515 570596246 /nfs/dbraw/zinc/59/62/46/570596246.db2.gz AXAHUDQRZZTBHP-GUYCJALGSA-N 1 1 357.454 5.144 50 0 FKAAMO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H]3c3ccsc3)n2)cc1F ZINC000248074515 570596243 /nfs/dbraw/zinc/59/62/43/570596243.db2.gz AXAHUDQRZZTBHP-GUYCJALGSA-N 1 1 357.454 5.144 50 0 FKAAMO CC[N@@H+](CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000248276339 521159692 /nfs/dbraw/zinc/15/96/92/521159692.db2.gz YQZJWOZCQJLDGZ-BJKOFHAPSA-N 1 1 365.561 5.888 50 0 FKAAMO CC[N@H+]1CCC[C@H]1CN[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000249701201 521658325 /nfs/dbraw/zinc/65/83/25/521658325.db2.gz YFPIRWFEOJUQFS-HKUYNNGSSA-N 1 1 372.965 5.162 50 0 FKAAMO CC[N@@H+]1CCC[C@H]1CN[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000249701201 521658323 /nfs/dbraw/zinc/65/83/23/521658323.db2.gz YFPIRWFEOJUQFS-HKUYNNGSSA-N 1 1 372.965 5.162 50 0 FKAAMO CC[N@H+]1CCC[C@@H]1CN[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000249701203 521640538 /nfs/dbraw/zinc/64/05/38/521640538.db2.gz YFPIRWFEOJUQFS-MJGOQNOKSA-N 1 1 372.965 5.162 50 0 FKAAMO CC[N@@H+]1CCC[C@@H]1CN[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000249701203 521640534 /nfs/dbraw/zinc/64/05/34/521640534.db2.gz YFPIRWFEOJUQFS-MJGOQNOKSA-N 1 1 372.965 5.162 50 0 FKAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H]1C(O)(C1CCCCC1)C1CCCCC1 ZINC000252596564 526099897 /nfs/dbraw/zinc/09/98/97/526099897.db2.gz CKNQGYBCGDCJJQ-XXBNENTESA-N 1 1 355.566 5.714 50 0 FKAAMO C[N@H+]1CCC[C@@H](Oc2ccc(/C=C\c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000252620045 571287417 /nfs/dbraw/zinc/28/74/17/571287417.db2.gz LWJFYUCNSCJYQW-BBIZLLLXSA-N 1 1 361.407 5.349 50 0 FKAAMO COc1ccc2c(c1)NC(C)(C)c1ssc(=[NH+]Cc3ccccc3)c1-2 ZINC000252670985 571292371 /nfs/dbraw/zinc/29/23/71/571292371.db2.gz MGULHXGPXNLPSV-UHFFFAOYSA-N 1 1 368.527 5.247 50 0 FKAAMO Clc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c(Cl)c1 ZINC000584904372 571156349 /nfs/dbraw/zinc/15/63/49/571156349.db2.gz ONAOYDSXVRGDBF-PMACEKPBSA-N 1 1 367.364 5.222 50 0 FKAAMO Clc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c(Cl)c1 ZINC000584904373 571156460 /nfs/dbraw/zinc/15/64/60/571156460.db2.gz ONAOYDSXVRGDBF-VQTJNVASSA-N 1 1 367.364 5.222 50 0 FKAAMO Clc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c(Cl)c1 ZINC000584904374 571156410 /nfs/dbraw/zinc/15/64/10/571156410.db2.gz ONAOYDSXVRGDBF-WOJBJXKFSA-N 1 1 367.364 5.222 50 0 FKAAMO Clc1cccc(Cl)c1CN1CC[N@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000584904420 571156371 /nfs/dbraw/zinc/15/63/71/571156371.db2.gz SRUKOPZYMRZGLU-PMACEKPBSA-N 1 1 367.364 5.222 50 0 FKAAMO Clc1cccc(Cl)c1CN1CC[N@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000584904421 570664141 /nfs/dbraw/zinc/66/41/41/570664141.db2.gz SRUKOPZYMRZGLU-VQTJNVASSA-N 1 1 367.364 5.222 50 0 FKAAMO Clc1cccc(Cl)c1CN1CC[N@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000584904422 571156401 /nfs/dbraw/zinc/15/64/01/571156401.db2.gz SRUKOPZYMRZGLU-WOJBJXKFSA-N 1 1 367.364 5.222 50 0 FKAAMO Fc1ccc([C@@H]2CCCCN2Cc2cc(C[NH+]3CCCC3)cs2)cc1 ZINC000670468970 571359364 /nfs/dbraw/zinc/35/93/64/571359364.db2.gz YNKIQCUKOBVQTA-NRFANRHFSA-N 1 1 358.526 5.210 50 0 FKAAMO Fc1ccc([C@H]2CCCCN2Cc2cc(C[NH+]3CCCC3)cs2)cc1 ZINC000670468971 571359395 /nfs/dbraw/zinc/35/93/95/571359395.db2.gz YNKIQCUKOBVQTA-OAQYLSRUSA-N 1 1 358.526 5.210 50 0 FKAAMO