smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2oc(=O)cc(C[NH+]3CCC(Cc4ccccc4)CC3)c2cc1C ZINC000005562556 210229110 /nfs/dbraw/zinc/22/91/10/210229110.db2.gz ZRLNLUMLJFMMAB-UHFFFAOYSA-N 1 0 361.485 4.865 50 0 FJAARO C[C@H]([NH2+]CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1cccs1 ZINC000239339007 210209642 /nfs/dbraw/zinc/20/96/42/210209642.db2.gz LOSGSTOVRAKYCY-IHPCNDPISA-N 1 0 357.563 5.778 50 0 FJAARO Clc1cccc(-c2cc3c(c(OCc4ccco4)c2)OCC[NH2+]C3)c1 ZINC000299769137 210017245 /nfs/dbraw/zinc/01/72/45/210017245.db2.gz NOACXSZYPZZVGD-UHFFFAOYSA-N 1 0 355.821 4.661 50 0 FJAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(-c2ccc(SC)cc2)c1 ZINC000299757098 210009041 /nfs/dbraw/zinc/00/90/41/210009041.db2.gz MQEIIOFFKNRMKH-FQEVSTJZSA-N 1 0 368.546 4.680 50 0 FJAARO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc(Cl)cc2Cl)cc1OC ZINC000012383600 219987365 /nfs/dbraw/zinc/98/73/65/219987365.db2.gz UETQWKLMZKGYLE-CYBMUJFWSA-N 1 0 368.304 4.774 50 0 FJAARO Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(C)o1 ZINC000062424369 212030528 /nfs/dbraw/zinc/03/05/28/212030528.db2.gz WEIMQAIFMOBVHJ-CYBMUJFWSA-N 1 0 363.383 4.952 50 0 FJAARO O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1)Nc1ccccc1 ZINC000010330524 204010009 /nfs/dbraw/zinc/01/00/09/204010009.db2.gz VUNQTMOJYFSADF-JOCHJYFZSA-N 1 0 359.473 4.798 50 0 FJAARO O=C(c1ccc(Br)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002515006 204042482 /nfs/dbraw/zinc/04/24/82/204042482.db2.gz BXYLMJAWAQKOFN-UHFFFAOYSA-N 1 0 358.279 4.666 50 0 FJAARO CCCCOc1ccc([C@@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001829743 204021150 /nfs/dbraw/zinc/02/11/50/204021150.db2.gz BHWJEAFQJWQLOS-DHIUTWEWSA-N 1 0 353.506 4.779 50 0 FJAARO CCC(C)(C)[C@@H]1CCc2sc3ncnc(NCCC[NH+](C)C)c3c2C1 ZINC000002364910 204035421 /nfs/dbraw/zinc/03/54/21/204035421.db2.gz MDOXNSHZOAMVCC-CQSZACIVSA-N 1 0 360.571 4.596 50 0 FJAARO CCOc1ccc([C@](O)(CC)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000002907749 204065730 /nfs/dbraw/zinc/06/57/30/204065730.db2.gz OGZAONAWUUEDKY-DNQXCXABSA-N 1 0 367.533 4.953 50 0 FJAARO CCCC[N@H+](CC)Cc1ccc(CNC(=O)Nc2ccc(Cl)cc2)o1 ZINC000003027312 204074365 /nfs/dbraw/zinc/07/43/65/204074365.db2.gz CAMZJWMMLZDLSE-UHFFFAOYSA-N 1 0 363.889 4.877 50 0 FJAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000003060202 204076480 /nfs/dbraw/zinc/07/64/80/204076480.db2.gz PPWOUQLORDDTKZ-CYBMUJFWSA-N 1 0 373.488 4.597 50 0 FJAARO Fc1ccc(C[n+]2c3cc(C(F)(F)F)ccc3n3c2CCCCC3)cc1 ZINC000003270653 204086757 /nfs/dbraw/zinc/08/67/57/204086757.db2.gz RFIKAAAXDPGOKU-UHFFFAOYSA-N 1 0 363.378 4.861 50 0 FJAARO C[C@H]1CCC[C@H]([NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000002735245 204053357 /nfs/dbraw/zinc/05/33/57/204053357.db2.gz SFOSMKKSCGZSAJ-CVDCTZTESA-N 1 0 362.517 4.690 50 0 FJAARO CCCC[N@H+](C)CCCN(Cc1ccco1)C(=S)Nc1cccc(C)c1 ZINC000003665498 204109966 /nfs/dbraw/zinc/10/99/66/204109966.db2.gz LIAHGMMSAYWZHQ-UHFFFAOYSA-N 1 0 373.566 4.909 50 0 FJAARO Cc1cc(C)cc(NC(=S)N(CCC[NH+]2CCCC2)Cc2ccco2)c1 ZINC000003665704 204110685 /nfs/dbraw/zinc/11/06/85/204110685.db2.gz BNDDNVSRHBNKKG-UHFFFAOYSA-N 1 0 371.550 4.581 50 0 FJAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(Br)cc3)n2C)cc1 ZINC000004678564 204154689 /nfs/dbraw/zinc/15/46/89/204154689.db2.gz BMFQSPPPHBLPSP-UHFFFAOYSA-N 1 0 356.267 4.770 50 0 FJAARO COc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1cccs1 ZINC000004413548 204138486 /nfs/dbraw/zinc/13/84/86/204138486.db2.gz UEGSAZIUMUIBNU-UHFFFAOYSA-N 1 0 374.893 4.674 50 0 FJAARO CC[NH+](CC)CCNc1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000005254410 204199734 /nfs/dbraw/zinc/19/97/34/204199734.db2.gz RKDOXFLBBGUGOM-UHFFFAOYSA-N 1 0 360.461 4.797 50 0 FJAARO CCCOC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(OC)cc23)cc1 ZINC000005808123 204226212 /nfs/dbraw/zinc/22/62/12/204226212.db2.gz XELQSWOULRGCLA-UHFFFAOYSA-N 1 0 350.418 4.862 50 0 FJAARO CC(C)(C)c1cn2c3ccccc3nc2n1CCC[NH2+]C1CCCCC1 ZINC000006211964 204240518 /nfs/dbraw/zinc/24/05/18/204240518.db2.gz JOLKDLHFKMOEOG-UHFFFAOYSA-N 1 0 352.526 4.899 50 0 FJAARO CCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000007262341 204292495 /nfs/dbraw/zinc/29/24/95/204292495.db2.gz SMHRJDSIGDKJPT-UHFFFAOYSA-N 1 0 352.247 4.667 50 0 FJAARO CCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000007261678 204292961 /nfs/dbraw/zinc/29/29/61/204292961.db2.gz CIGYQSSDSWQIOM-UHFFFAOYSA-N 1 0 351.849 4.956 50 0 FJAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000008003751 204313555 /nfs/dbraw/zinc/31/35/55/204313555.db2.gz VZUXACYVTQLCCK-GOSISDBHSA-N 1 0 368.374 4.770 50 0 FJAARO Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C[NH2+]CCc1ccccc1 ZINC000008490539 204332580 /nfs/dbraw/zinc/33/25/80/204332580.db2.gz RAXQLDJQKLEICR-UHFFFAOYSA-N 1 0 374.532 4.503 50 0 FJAARO Cc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccnc2)c1 ZINC000009221446 204357886 /nfs/dbraw/zinc/35/78/86/204357886.db2.gz VBEAXOMEIMZVMS-UHFFFAOYSA-N 1 0 354.457 4.533 50 0 FJAARO CCCc1nc2cccnc2n1C1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000011785210 204414837 /nfs/dbraw/zinc/41/48/37/204414837.db2.gz VFQRYINCASFISZ-NRFANRHFSA-N 1 0 374.532 4.578 50 0 FJAARO C[C@@H](CNC(=S)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000036847560 204394043 /nfs/dbraw/zinc/39/40/43/204394043.db2.gz FODGSWMIZSILCB-RYUDHWBXSA-N 1 0 360.354 4.543 50 0 FJAARO CCOc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1Br ZINC000010436590 204396068 /nfs/dbraw/zinc/39/60/68/204396068.db2.gz LMKCRGMSGQZYOX-UHFFFAOYSA-N 1 0 364.327 4.762 50 0 FJAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000010456661 204397131 /nfs/dbraw/zinc/39/71/31/204397131.db2.gz ZBFOMLGJVYTXLC-UHFFFAOYSA-N 1 0 366.549 4.505 50 0 FJAARO Cc1ccc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)o1 ZINC000012715867 220021803 /nfs/dbraw/zinc/02/18/03/220021803.db2.gz JZCNMBCKWYHGRH-IBGZPJMESA-N 1 0 353.441 4.716 50 0 FJAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1ccccc1C(F)(F)F ZINC000013325268 204527214 /nfs/dbraw/zinc/52/72/14/204527214.db2.gz HFSZLEZKTULCRZ-UHFFFAOYSA-N 1 0 363.383 4.945 50 0 FJAARO CCOc1ccc(Br)cc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000013725954 204548986 /nfs/dbraw/zinc/54/89/86/204548986.db2.gz AEKQOFMLLJLWQL-HNNXBMFYSA-N 1 0 362.311 4.959 50 0 FJAARO CCc1cccc(C)c1NC(=O)C[NH2+]C1(c2ccc(OC)cc2)CCCC1 ZINC000058441895 212010750 /nfs/dbraw/zinc/01/07/50/212010750.db2.gz MHTVQTCEMXACKK-UHFFFAOYSA-N 1 0 366.505 4.564 50 0 FJAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc(C)c2C)cc1 ZINC000012886791 220038668 /nfs/dbraw/zinc/03/86/68/220038668.db2.gz RNMKXYGHAAAPRZ-JOCHJYFZSA-N 1 0 366.505 4.868 50 0 FJAARO Cc1cc(Br)ccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000058379553 212007253 /nfs/dbraw/zinc/00/72/53/212007253.db2.gz NROVVFPHWLRLOB-GOSISDBHSA-N 1 0 373.294 4.533 50 0 FJAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3ccc(SC)cc3)c2C)cc1 ZINC000015068469 204600179 /nfs/dbraw/zinc/60/01/79/204600179.db2.gz VSGKVWWOJDQQHQ-OAHLLOKOSA-N 1 0 367.518 4.762 50 0 FJAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000040119459 205057175 /nfs/dbraw/zinc/05/71/75/205057175.db2.gz LOJBDSMSWVWULX-OAHLLOKOSA-N 1 0 374.431 4.915 50 0 FJAARO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000040120624 205058648 /nfs/dbraw/zinc/05/86/48/205058648.db2.gz CRUGNBZOHPBXNZ-UHFFFAOYSA-N 1 0 373.541 4.594 50 0 FJAARO COCCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040728043 205079289 /nfs/dbraw/zinc/07/92/89/205079289.db2.gz ZMWJSXVCKQEDIB-UHFFFAOYSA-N 1 0 354.277 4.699 50 0 FJAARO C[C@@H](O)C[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040743990 205080154 /nfs/dbraw/zinc/08/01/54/205080154.db2.gz UVBXJVYVXMEFBH-CQSZACIVSA-N 1 0 373.855 4.682 50 0 FJAARO CC(C)(C)OC(=O)N(Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000040449816 205070702 /nfs/dbraw/zinc/07/07/02/205070702.db2.gz UWSUXCWPSHDJRF-OAQYLSRUSA-N 1 0 366.505 4.843 50 0 FJAARO CCCOc1c(C[NH2+]CCc2ccccc2F)cc(Cl)cc1OC ZINC000040722196 205077690 /nfs/dbraw/zinc/07/76/90/205077690.db2.gz YHDAJHBOMPXVAT-UHFFFAOYSA-N 1 0 351.849 4.609 50 0 FJAARO CC(C)Oc1ccc(Br)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000040730182 205078346 /nfs/dbraw/zinc/07/83/46/205078346.db2.gz LGYOUBVWCDLSNY-UHFFFAOYSA-N 1 0 366.274 4.708 50 0 FJAARO OCCCCC[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731920 205078581 /nfs/dbraw/zinc/07/85/81/205078581.db2.gz OHDQBNKQXLUQGO-UHFFFAOYSA-N 1 0 368.304 4.825 50 0 FJAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)c(C)c1 ZINC000044856502 205113557 /nfs/dbraw/zinc/11/35/57/205113557.db2.gz ZVRMCQWATNHWSF-HSZRJFAPSA-N 1 0 364.533 4.783 50 0 FJAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1 ZINC000042995847 205099568 /nfs/dbraw/zinc/09/95/68/205099568.db2.gz ZYGDKXLRUGCIFO-GOSISDBHSA-N 1 0 365.452 4.604 50 0 FJAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000046809191 205138557 /nfs/dbraw/zinc/13/85/57/205138557.db2.gz ACEQBQOMCNQFQD-MRXNPFEDSA-N 1 0 356.897 4.644 50 0 FJAARO O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000047325872 205144850 /nfs/dbraw/zinc/14/48/50/205144850.db2.gz TWJIGVDLXBUOEH-UHFFFAOYSA-N 1 0 365.477 4.571 50 0 FJAARO CCC1(CC)CC[N@H+](Cc2ccccc2-c2nc(C(C)C)cc(=O)[nH]2)C1 ZINC000048488452 205164789 /nfs/dbraw/zinc/16/47/89/205164789.db2.gz DJDCBJXQPNNXNE-UHFFFAOYSA-N 1 0 353.510 4.572 50 0 FJAARO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000057398981 205239055 /nfs/dbraw/zinc/23/90/55/205239055.db2.gz KJMFZPIBOFHPNZ-QGZVFWFLSA-N 1 0 362.395 4.713 50 0 FJAARO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](c2cccs2)c2ccccc2)c1 ZINC000057508892 205241293 /nfs/dbraw/zinc/24/12/93/205241293.db2.gz MCSDSTUYZNWAHN-OXJNMPFZSA-N 1 0 350.487 4.763 50 0 FJAARO Cc1ccc2c(C[N@H+](C)Cc3ccc(OC(F)F)cc3)cc(=O)oc2c1C ZINC000057509344 205241504 /nfs/dbraw/zinc/24/15/04/205241504.db2.gz NVYGKUCPKRLAKE-UHFFFAOYSA-N 1 0 373.399 4.643 50 0 FJAARO Cc1nc2sc3c(c2c(NC[C@H](c2cccs2)[NH+](C)C)n1)CCCC3 ZINC000058164892 205252792 /nfs/dbraw/zinc/25/27/92/205252792.db2.gz CCRYGIIIDPKWFM-CQSZACIVSA-N 1 0 372.563 4.655 50 0 FJAARO FC(F)(F)CN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000060953221 205285906 /nfs/dbraw/zinc/28/59/06/205285906.db2.gz IWIXRIYSHBHQPW-LBPRGKRZSA-N 1 0 374.859 4.795 50 0 FJAARO Cc1ccccc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000065604375 205359847 /nfs/dbraw/zinc/35/98/47/205359847.db2.gz MCSDCTQTPVGGCT-UHFFFAOYSA-N 1 0 360.295 4.553 50 0 FJAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1cccc(Cl)c1 ZINC000017310546 220212933 /nfs/dbraw/zinc/21/29/33/220212933.db2.gz DDDWPJAIFWYIFJ-UHFFFAOYSA-N 1 0 353.897 4.800 50 0 FJAARO Cc1ccccc1COc1ccc(C[NH2+]CCCOc2ccccn2)cc1 ZINC000113396370 206089436 /nfs/dbraw/zinc/08/94/36/206089436.db2.gz RCCRSMQZBFZYDO-UHFFFAOYSA-N 1 0 362.473 4.528 50 0 FJAARO Cc1ccc(COc2ccc(C[NH2+]CCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000113398780 206089462 /nfs/dbraw/zinc/08/94/62/206089462.db2.gz IPUFYWIFYFIJRA-UHFFFAOYSA-N 1 0 371.484 4.783 50 0 FJAARO Clc1ccc(-c2ccc(C[NH2+]CCc3nc4ccccc4[nH]3)o2)cc1 ZINC000113399166 206088329 /nfs/dbraw/zinc/08/83/29/206088329.db2.gz JRRBVLMYIIRGMT-UHFFFAOYSA-N 1 0 351.837 4.809 50 0 FJAARO CCCOc1ccc2ccccc2c1C[NH2+]CCCOc1ccccn1 ZINC000113396652 206088955 /nfs/dbraw/zinc/08/89/55/206088955.db2.gz YGNNRHRJSVGITR-UHFFFAOYSA-N 1 0 350.462 4.582 50 0 FJAARO COc1cc2c(cc1OC)C[N@H+](CC[C@H](C)c1ccc(Cl)cc1)CC2 ZINC000000664921 206129857 /nfs/dbraw/zinc/12/98/57/206129857.db2.gz QEYKVSJFGFOGHF-HNNXBMFYSA-N 1 0 359.897 4.909 50 0 FJAARO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@H+](C)Cc1ccccc1 ZINC000008572578 206217262 /nfs/dbraw/zinc/21/72/62/206217262.db2.gz ASOQAEKADZPACQ-UHFFFAOYSA-N 1 0 364.489 4.916 50 0 FJAARO CC1CC[NH+]([C@@H](CNc2ncnc3sccc32)c2cccs2)CC1 ZINC000008727557 206217736 /nfs/dbraw/zinc/21/77/36/206217736.db2.gz QSKKXLXLQGYOGQ-HNNXBMFYSA-N 1 0 358.536 4.638 50 0 FJAARO CC(C)C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000006883565 206243159 /nfs/dbraw/zinc/24/31/59/206243159.db2.gz RQKPQVLKSMFXMD-UHFFFAOYSA-N 1 0 366.274 4.913 50 0 FJAARO C[C@H]([NH2+]Cc1c[nH]nc1-c1cccs1)c1ccccc1Br ZINC000012531658 206291954 /nfs/dbraw/zinc/29/19/54/206291954.db2.gz LDYUMPFAAROPIT-NSHDSACASA-N 1 0 362.296 4.752 50 0 FJAARO C[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000019777374 206327102 /nfs/dbraw/zinc/32/71/02/206327102.db2.gz PMMIUIHYYHKVHE-UHFFFAOYSA-N 1 0 360.668 4.954 50 0 FJAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000020733570 206343552 /nfs/dbraw/zinc/34/35/52/206343552.db2.gz WWAQWSNTMGGDDV-XLIONFOSSA-N 1 0 359.583 4.667 50 0 FJAARO Cc1ccccc1NC(=S)N1CCC([N@@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000020733566 206343866 /nfs/dbraw/zinc/34/38/66/206343866.db2.gz TWLQFTCLKAJKAP-YLJYHZDGSA-N 1 0 359.583 4.667 50 0 FJAARO CCC[NH2+]Cc1cc(Br)cc(Br)c1OCCC ZINC000020929700 206345877 /nfs/dbraw/zinc/34/58/77/206345877.db2.gz WRTYTJQVYIQJRO-UHFFFAOYSA-N 1 0 365.109 4.500 50 0 FJAARO Fc1ccc([C@H]2CC[N@H+](Cc3cnc4c(-c5ccccc5)cnn4c3)C2)cc1 ZINC000215868435 206350910 /nfs/dbraw/zinc/35/09/10/206350910.db2.gz AXKYTDKZFHFKCT-FQEVSTJZSA-N 1 0 372.447 4.525 50 0 FJAARO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)c(OC)c1OC ZINC000022783260 206392204 /nfs/dbraw/zinc/39/22/04/206392204.db2.gz YMPWZVGFYMYOBC-LLVKDONJSA-N 1 0 370.276 4.870 50 0 FJAARO CSc1ncccc1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000023352515 211383252 /nfs/dbraw/zinc/38/32/52/211383252.db2.gz AHPVKFWMTPMMPP-UHFFFAOYSA-N 1 0 369.534 4.820 50 0 FJAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000022787609 211362120 /nfs/dbraw/zinc/36/21/20/211362120.db2.gz GFCMZVHUPIEGMT-OAHLLOKOSA-N 1 0 351.446 4.716 50 0 FJAARO FC(F)(F)c1ccccc1CN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000022130518 211340454 /nfs/dbraw/zinc/34/04/54/211340454.db2.gz RDOROCRTFHATLH-UHFFFAOYSA-N 1 0 373.422 4.505 50 0 FJAARO C[C@H]([NH2+]Cc1ccc(OCc2cccs2)cc1)[C@@H](O)c1ccccc1 ZINC000022076409 211337062 /nfs/dbraw/zinc/33/70/62/211337062.db2.gz AHZFATVSQZPAEZ-HRAATJIYSA-N 1 0 353.487 4.539 50 0 FJAARO CCCC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000021169913 211309920 /nfs/dbraw/zinc/30/99/20/211309920.db2.gz IYKGXJOCDDWMPD-RPWUZVMVSA-N 1 0 367.533 4.953 50 0 FJAARO CCc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000021719997 211322556 /nfs/dbraw/zinc/32/25/56/211322556.db2.gz OHMJDQCCEOFRNP-IBGZPJMESA-N 1 0 350.466 4.581 50 0 FJAARO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C1 ZINC000021718132 211322387 /nfs/dbraw/zinc/32/23/87/211322387.db2.gz SBJSOGKTLDAWQB-IYBDPMFKSA-N 1 0 363.933 4.562 50 0 FJAARO CCCC[C@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000021169902 211308566 /nfs/dbraw/zinc/30/85/66/211308566.db2.gz IYKGXJOCDDWMPD-ZEQRLZLVSA-N 1 0 367.533 4.953 50 0 FJAARO CC(C)c1cc(=O)[nH]c(-c2ccc(C[N@H+](C)[C@H](C)c3cccs3)cc2)n1 ZINC000019781674 211255847 /nfs/dbraw/zinc/25/58/47/211255847.db2.gz SCQPAYRSIVMJPN-OAHLLOKOSA-N 1 0 367.518 4.815 50 0 FJAARO COc1ccccc1C[NH2+]Cc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000017310949 211184400 /nfs/dbraw/zinc/18/44/00/211184400.db2.gz HDDWFTQWFIOWIH-UHFFFAOYSA-N 1 0 360.457 4.546 50 0 FJAARO Fc1ccc(-c2c[n+](Cc3ccc(Cl)c(Cl)c3)c3n2CCC3)cc1 ZINC000017250800 211182371 /nfs/dbraw/zinc/18/23/71/211182371.db2.gz URUOQBXLBAXYBP-UHFFFAOYSA-N 1 0 362.255 4.883 50 0 FJAARO C[NH+](C)C[C@@H]1CCCC[C@@H]1[C@@]1(O)c2ccccc2CSc2ccccc21 ZINC000017185480 211181628 /nfs/dbraw/zinc/18/16/28/211181628.db2.gz DYOKEZUEHYQWMK-WCAVRKLYSA-N 1 0 367.558 4.896 50 0 FJAARO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000015862285 211147354 /nfs/dbraw/zinc/14/73/54/211147354.db2.gz PHEHGBJIBJATSY-UHFFFAOYSA-N 1 0 354.881 4.820 50 0 FJAARO Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(C(C)C)cc1Cl ZINC000016043726 211152795 /nfs/dbraw/zinc/15/27/95/211152795.db2.gz WBUQDBZWBIJYKV-XNWPKKHHSA-N 1 0 367.961 4.926 50 0 FJAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2cccc(C)c2)CC1 ZINC000015679761 211136832 /nfs/dbraw/zinc/13/68/32/211136832.db2.gz PMYNPJTZDLFQKT-UHFFFAOYSA-N 1 0 357.523 4.575 50 0 FJAARO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2cccc3ccccc32)cc1 ZINC000015617221 211133580 /nfs/dbraw/zinc/13/35/80/211133580.db2.gz BUGPKEWCIJQVQW-UHFFFAOYSA-N 1 0 360.501 4.541 50 0 FJAARO COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c1 ZINC000015071549 211118838 /nfs/dbraw/zinc/11/88/38/211118838.db2.gz GHWLGVPEFSGFPE-GOSISDBHSA-N 1 0 365.452 4.604 50 0 FJAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000014186855 211082947 /nfs/dbraw/zinc/08/29/47/211082947.db2.gz WKXDAUUIIGLXBQ-AWEZNQCLSA-N 1 0 355.432 4.677 50 0 FJAARO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000014142417 211078892 /nfs/dbraw/zinc/07/88/92/211078892.db2.gz OQXWAGHQLXOFKA-KRWDZBQOSA-N 1 0 360.457 4.652 50 0 FJAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000013776108 211058306 /nfs/dbraw/zinc/05/83/06/211058306.db2.gz UVOCKBWJADXADZ-YTFSRNRJSA-N 1 0 369.480 4.703 50 0 FJAARO O=C(CC[N@H+](Cc1ccco1)C1CC1)Nc1c(Cl)cccc1Cl ZINC000037176482 211037914 /nfs/dbraw/zinc/03/79/14/211037914.db2.gz RDGMYXQYVGSIBW-UHFFFAOYSA-N 1 0 353.249 4.580 50 0 FJAARO Cc1cc2oc(=O)cc(C[N@H+](C)CCOc3ccccc3Cl)c2cc1C ZINC000013001118 211018806 /nfs/dbraw/zinc/01/88/06/211018806.db2.gz LQWTZJIGBJARNH-UHFFFAOYSA-N 1 0 371.864 4.574 50 0 FJAARO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1cc(F)ccc1F ZINC000012997272 211017746 /nfs/dbraw/zinc/01/77/46/211017746.db2.gz QDNXSCPPJLPWLD-UONOGXRCSA-N 1 0 354.400 4.796 50 0 FJAARO Fc1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cn3cccn3)o2)cc1 ZINC000012871763 211001815 /nfs/dbraw/zinc/00/18/15/211001815.db2.gz WFGTWFRAHICHSW-UHFFFAOYSA-N 1 0 361.420 4.620 50 0 FJAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc(F)cc1F)C1CCCCC1 ZINC000012906191 211005948 /nfs/dbraw/zinc/00/59/48/211005948.db2.gz AYPXRTSNKHWTPR-UHFFFAOYSA-N 1 0 358.432 4.982 50 0 FJAARO CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)cc1 ZINC000008613186 210794169 /nfs/dbraw/zinc/79/41/69/210794169.db2.gz KJBNPDHVQMIBAD-NRFANRHFSA-N 1 0 356.554 4.855 50 0 FJAARO COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000005231448 210608943 /nfs/dbraw/zinc/60/89/43/210608943.db2.gz PZYKMCZWXPLMTD-QHCPKHFHSA-N 1 0 353.506 4.702 50 0 FJAARO CCCOc1ccc([C@](O)(CC[NH+]2CCCCC2)c2cccc(C)c2)cc1 ZINC000002810475 210426094 /nfs/dbraw/zinc/42/60/94/210426094.db2.gz OPRJXLALLTVEEO-XMMPIXPASA-N 1 0 367.533 4.896 50 0 FJAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002314344 210390564 /nfs/dbraw/zinc/39/05/64/210390564.db2.gz DWTCRRWIBXGZAC-UHFFFAOYSA-N 1 0 360.501 4.922 50 0 FJAARO CN(Cc1ccccc1)C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019762698 220294569 /nfs/dbraw/zinc/29/45/69/220294569.db2.gz GZRXZWPHPFRHBV-UHFFFAOYSA-N 1 0 370.496 4.517 50 0 FJAARO CCCOc1ccc(C(=O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000001816655 210371122 /nfs/dbraw/zinc/37/11/22/210371122.db2.gz FFWCCKUNJDPIMI-QFIPXVFZSA-N 1 0 351.490 4.928 50 0 FJAARO COc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019832607 220301352 /nfs/dbraw/zinc/30/13/52/220301352.db2.gz HHVDXWGGMLPDNA-UHFFFAOYSA-N 1 0 372.468 4.506 50 0 FJAARO Oc1cccc([C@@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)c1 ZINC000020112551 220312324 /nfs/dbraw/zinc/31/23/24/220312324.db2.gz BRCOUGBOBWSOAF-QHCPKHFHSA-N 1 0 370.452 4.688 50 0 FJAARO CC[NH+](CC)CCCn1c(-c2ccc(C)cc2)cn2c3ccccc3nc21 ZINC000001296758 210341283 /nfs/dbraw/zinc/34/12/83/210341283.db2.gz JYLGNMMJGZFICR-UHFFFAOYSA-N 1 0 360.505 4.996 50 0 FJAARO O[C@@H](c1ccc(Br)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000001241350 210338211 /nfs/dbraw/zinc/33/82/11/210338211.db2.gz QRMKWWYZRHOYBC-PMACEKPBSA-N 1 0 374.322 4.752 50 0 FJAARO O[C@@H](c1ccc(Br)cc1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000000819932 210275959 /nfs/dbraw/zinc/27/59/59/210275959.db2.gz NQEUTDJMHPUYIZ-MOPGFXCFSA-N 1 0 360.295 4.710 50 0 FJAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000022783248 220398082 /nfs/dbraw/zinc/39/80/82/220398082.db2.gz XMXOLDLDVSFFKE-LLVKDONJSA-N 1 0 370.276 4.870 50 0 FJAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000022783242 220398547 /nfs/dbraw/zinc/39/85/47/220398547.db2.gz XMXOLDLDVSFFKE-NSHDSACASA-N 1 0 370.276 4.870 50 0 FJAARO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000042209277 220936541 /nfs/dbraw/zinc/93/65/41/220936541.db2.gz LZUVFCSDJWLUIE-UHFFFAOYSA-N 1 0 374.937 4.559 50 0 FJAARO C[C@H]([NH2+]CC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000049580908 221025731 /nfs/dbraw/zinc/02/57/31/221025731.db2.gz OMIGOPTULKAUBH-FQEVSTJZSA-N 1 0 372.512 4.676 50 0 FJAARO C(=C/c1ccco1)\C[N@@H+]1CC[C@@H](c2ccnc(-c3ccc4c(c3)OCO4)c2)C1 ZINC000065382061 221207899 /nfs/dbraw/zinc/20/78/99/221207899.db2.gz QQWYCLGKHVBKAS-VUQTYRPGSA-N 1 0 374.440 4.573 50 0 FJAARO c1c2ccccc2oc1C[N@@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065397835 221212342 /nfs/dbraw/zinc/21/23/42/221212342.db2.gz KSXDUZCJBWHKEZ-HXUWFJFHSA-N 1 0 355.441 4.879 50 0 FJAARO OCc1ccc(-c2cc([C@@H]3CC[N@H+](C/C=C/c4ccccc4)C3)ccn2)cc1 ZINC000065490140 221226088 /nfs/dbraw/zinc/22/60/88/221226088.db2.gz MJVMMDGPFQLEAY-PTGVWUEVSA-N 1 0 370.496 4.744 50 0 FJAARO Fc1ccccc1Oc1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1F ZINC000065932717 221237919 /nfs/dbraw/zinc/23/79/19/221237919.db2.gz CCEYHOQXARNIKO-UHFFFAOYSA-N 1 0 369.367 4.776 50 0 FJAARO Cc1ccc2[nH]cc(C[N@@H+]3CC[C@H](c4ccnc(-c5ccncc5)c4)C3)c2c1 ZINC000067817162 221288219 /nfs/dbraw/zinc/28/82/19/221288219.db2.gz JZNPOYPJRZECBP-FQEVSTJZSA-N 1 0 368.484 4.923 50 0 FJAARO Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H](c4ccnc(-c5ccncc5)c4)C3)c2c1 ZINC000067817165 221288602 /nfs/dbraw/zinc/28/86/02/221288602.db2.gz JZNPOYPJRZECBP-HXUWFJFHSA-N 1 0 368.484 4.923 50 0 FJAARO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@@H+](C1CCCCC1)C2 ZINC000067769811 221282838 /nfs/dbraw/zinc/28/28/38/221282838.db2.gz XCZRRBFZIKMTRE-UHFFFAOYSA-N 1 0 358.869 4.635 50 0 FJAARO Cc1ccccc1-c1ncc(C[NH2+]Cc2c[nH]nc2-c2cccs2)s1 ZINC000067981702 221312212 /nfs/dbraw/zinc/31/22/12/221312212.db2.gz HNVJMBZCQORBOC-UHFFFAOYSA-N 1 0 366.515 4.860 50 0 FJAARO CC[C@@](O)(c1cccc(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071769309 221373788 /nfs/dbraw/zinc/37/37/88/221373788.db2.gz OKARETPOLGJSFX-VQTJNVASSA-N 1 0 363.423 4.825 50 0 FJAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H](C)c1ccccc1 ZINC000071809761 221378593 /nfs/dbraw/zinc/37/85/93/221378593.db2.gz LROWPSAYMPNSMR-AWEZNQCLSA-N 1 0 355.432 4.661 50 0 FJAARO CC[NH+]1CCN(c2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)CC1 ZINC000000948991 132252479 /nfs/dbraw/zinc/25/24/79/132252479.db2.gz NPDCVVMVRVILGD-UHFFFAOYSA-N 1 0 374.532 4.736 50 0 FJAARO CC(=O)c1ccc(N2CC[NH+](CCC3=C(C)CCCC3(C)C)CC2)cc1 ZINC000000756634 132378368 /nfs/dbraw/zinc/37/83/68/132378368.db2.gz DPFOTDPFHHAALV-UHFFFAOYSA-N 1 0 354.538 4.928 50 0 FJAARO CCCC[NH+]1CCN(c2nc3ccc(C)cc3c(-c3ccccc3)n2)CC1 ZINC000003899197 132385979 /nfs/dbraw/zinc/38/59/79/132385979.db2.gz XSZKJVXMIROOMV-UHFFFAOYSA-N 1 0 360.505 4.527 50 0 FJAARO Cc1[nH]c2ccccc2c1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000055543407 136127093 /nfs/dbraw/zinc/12/70/93/136127093.db2.gz GGGOIGYHPBDMBG-UHFFFAOYSA-N 1 0 373.422 4.817 50 0 FJAARO c1csc(CNc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000057211582 136128234 /nfs/dbraw/zinc/12/82/34/136128234.db2.gz GKEBFAJNWNVGQL-UHFFFAOYSA-N 1 0 363.530 4.682 50 0 FJAARO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCCc2nc3ccccc3s2)C1 ZINC000097013854 222150546 /nfs/dbraw/zinc/15/05/46/222150546.db2.gz URMDPOGBOZJLMH-HKUYNNGSSA-N 1 0 365.546 4.654 50 0 FJAARO Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000100617126 222247851 /nfs/dbraw/zinc/24/78/51/222247851.db2.gz SFOJMBQOQFMTTM-UHFFFAOYSA-N 1 0 373.412 4.530 50 0 FJAARO C[NH+]1CCN(c2cc(-c3ccccc3)nc3c2cccc3C(F)(F)F)CC1 ZINC000032666602 263393964 /nfs/dbraw/zinc/39/39/64/263393964.db2.gz KIVNPIZXNXQOKY-UHFFFAOYSA-N 1 0 371.406 4.672 50 0 FJAARO CCCOc1c(Cl)cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Cl ZINC000020926389 520297592 /nfs/dbraw/zinc/29/75/92/520297592.db2.gz LYRZIXNLVAODBC-UHFFFAOYSA-N 1 0 368.260 4.801 50 0 FJAARO CCCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1Br ZINC000020925989 520367256 /nfs/dbraw/zinc/36/72/56/520367256.db2.gz UNUITYXZIPSNKC-UHFFFAOYSA-N 1 0 366.274 4.709 50 0 FJAARO CCCC(C(=O)OCC)=C(C)[NH2+]N(Cc1ccccc1)c1ccccc1 ZINC000020064345 521658035 /nfs/dbraw/zinc/65/80/35/521658035.db2.gz SGXGTCMEXCHLRN-UZYVYHOESA-N 1 0 352.478 4.835 50 0 FJAARO C[C@@H]1CCC[C@H]([NH2+][C@@H]2C3=C(CCCC3)C(=O)N2Cc2ccccc2)[C@H]1C ZINC000245253912 524409421 /nfs/dbraw/zinc/40/94/21/524409421.db2.gz RROFHMUQHXNYJT-CTOYSFNJSA-N 1 0 352.522 4.640 50 0 FJAARO C[C@H]1C[NH+](CCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000020168446 524593207 /nfs/dbraw/zinc/59/32/07/524593207.db2.gz PKOPFZIVQYDYGY-PMACEKPBSA-N 1 0 367.533 4.891 50 0 FJAARO C[C@@H]1C[NH+](CCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000020168442 524952232 /nfs/dbraw/zinc/95/22/32/524952232.db2.gz PKOPFZIVQYDYGY-WOJBJXKFSA-N 1 0 367.533 4.891 50 0 FJAARO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H](C)[C@@]1(C)O ZINC000239284808 525711942 /nfs/dbraw/zinc/71/19/42/525711942.db2.gz CBNTXTSZXBMDJP-DWPFRNKMSA-N 1 0 364.316 5.402 50 0 FJAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C1CCC(C(C)(C)C)CC1 ZINC000239434097 526213206 /nfs/dbraw/zinc/21/32/06/526213206.db2.gz YZBWXUMBVMJAEN-VEDXQQSGSA-N 1 0 368.565 4.982 50 0 FJAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000078282222 526249738 /nfs/dbraw/zinc/24/97/38/526249738.db2.gz LYLIMNXRRNEDBX-ZIAGYGMSSA-N 1 0 361.283 4.517 50 0 FJAARO CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)[NH3+])CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000257347832 527116474 /nfs/dbraw/zinc/11/64/74/527116474.db2.gz VJYVCSBIXCOHFV-KZSQOBLOSA-N 1 0 361.570 4.924 50 0 FJAARO OC(C[NH2+]Cc1ccccc1Cl)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020365914 527503815 /nfs/dbraw/zinc/50/38/15/527503815.db2.gz OYMPLRCJMPIZAS-UHFFFAOYSA-N 1 0 373.830 4.644 50 0 FJAARO O[C@@](C[NH2+]Cc1cccc(Cl)c1)(c1ccccc1)c1ccc(F)cc1 ZINC000020365952 527680687 /nfs/dbraw/zinc/68/06/87/527680687.db2.gz UCHRBQPSBFRIHH-NRFANRHFSA-N 1 0 355.840 4.505 50 0 FJAARO FC(F)(F)c1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000089787891 527681972 /nfs/dbraw/zinc/68/19/72/527681972.db2.gz QWSAPFKVJVGVRZ-LJQANCHMSA-N 1 0 363.379 4.718 50 0 FJAARO FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H](c3nccn3CC3CC3)C2)cc1 ZINC000082125876 527682033 /nfs/dbraw/zinc/68/20/33/527682033.db2.gz VVYFYMXJMNSKDH-KRWDZBQOSA-N 1 0 363.427 4.692 50 0 FJAARO FC(F)(F)c1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000089787892 527682061 /nfs/dbraw/zinc/68/20/61/527682061.db2.gz QWSAPFKVJVGVRZ-IBGZPJMESA-N 1 0 363.379 4.718 50 0 FJAARO COc1cccc(-c2cccc(N3CCC([NH2+]Cc4cccnc4)CC3)c2)c1 ZINC000019221753 537065291 /nfs/dbraw/zinc/06/52/91/537065291.db2.gz ICNDNKIICVAFDP-UHFFFAOYSA-N 1 0 373.500 4.516 50 0 FJAARO O=C(c1cccc(-c2cccc(F)c2)c1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000222279141 568511316 /nfs/dbraw/zinc/51/13/16/568511316.db2.gz MGVOQFYAPBMWDK-QFIPXVFZSA-N 1 0 366.480 4.583 50 0 FJAARO COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2S[C@H](C)C3)cc1 ZINC000000624669 570439251 /nfs/dbraw/zinc/43/92/51/570439251.db2.gz PPKCJKXEBVKJHM-CYBMUJFWSA-N 1 0 357.886 4.588 50 0 FJAARO CC(C)[C@@H]1COCC[N@@H+]1CCCc1ccc(COc2ccccc2)cc1 ZINC000095101107 570451254 /nfs/dbraw/zinc/45/12/54/570451254.db2.gz DMEITRWKYQAHAB-QHCPKHFHSA-N 1 0 353.506 4.555 50 0 FJAARO CC(C)COc1ccc([C@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000753524 570454839 /nfs/dbraw/zinc/45/48/39/570454839.db2.gz YCJYBYTUTWAFAD-PKTZIBPZSA-N 1 0 353.506 4.634 50 0 FJAARO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCc2ccc(F)c(F)c2)c1 ZINC000095520561 570467304 /nfs/dbraw/zinc/46/73/04/570467304.db2.gz WXOWEPUGBPJLNN-OAHLLOKOSA-N 1 0 373.447 4.661 50 0 FJAARO O=C(CCC[N@H+]1CC=C(Oc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000095918156 570471646 /nfs/dbraw/zinc/47/16/46/570471646.db2.gz ANVINHYHCRGZJM-UHFFFAOYSA-N 1 0 357.400 4.596 50 0 FJAARO Clc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccc(Cl)cc2)cc1 ZINC000002527999 570524189 /nfs/dbraw/zinc/52/41/89/570524189.db2.gz JWDWNJGCHVMGMQ-UHFFFAOYSA-N 1 0 368.247 4.518 50 0 FJAARO CC[C@H](C)NC(=O)[C@@H]1CC[C@H](c2ccc(F)cc2)[N@H+](Cc2ccccc2)C1 ZINC000034669939 570526822 /nfs/dbraw/zinc/52/68/22/570526822.db2.gz OUAQBDHTYHZCNA-UCNVEGJOSA-N 1 0 368.496 4.694 50 0 FJAARO CC[NH+]1CCN(Cc2cncc(-c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000034669446 570526979 /nfs/dbraw/zinc/52/69/79/570526979.db2.gz VAYSTIWDKZUNPG-UHFFFAOYSA-N 1 0 357.501 4.553 50 0 FJAARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682613 570531690 /nfs/dbraw/zinc/53/16/90/570531690.db2.gz KQBMKYAIUMMZKO-UHFFFAOYSA-N 1 0 374.887 4.887 50 0 FJAARO CC(C)C[NH+]1CCC(N(C(=O)c2ccccc2F)c2ccc(F)cc2)CC1 ZINC000034682645 570531727 /nfs/dbraw/zinc/53/17/27/570531727.db2.gz OBTSGRJJXGEISP-UHFFFAOYSA-N 1 0 372.459 4.732 50 0 FJAARO COc1cccc(N(C(=O)CC(C)C)C2CC[NH+](CCC(C)C)CC2)c1 ZINC000034683177 570532314 /nfs/dbraw/zinc/53/23/14/570532314.db2.gz HAJBQYILSUOVKB-UHFFFAOYSA-N 1 0 360.542 4.585 50 0 FJAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OC ZINC000002886202 570543121 /nfs/dbraw/zinc/54/31/21/570543121.db2.gz WYNQRZARKBHRMU-ZDUSSCGKSA-N 1 0 364.283 4.707 50 0 FJAARO CCCOc1c(Cl)cc(C[NH2+]CCCOc2ccccn2)cc1Cl ZINC000113396512 570543861 /nfs/dbraw/zinc/54/38/61/570543861.db2.gz HLXDKFQYKJNKAV-UHFFFAOYSA-N 1 0 369.292 4.736 50 0 FJAARO Cc1ccccc1COc1cccc(C[NH2+]CCc2nc3ccccc3[nH]2)c1 ZINC000113401447 570544333 /nfs/dbraw/zinc/54/43/33/570544333.db2.gz KNWOQBYNFMAXOD-UHFFFAOYSA-N 1 0 371.484 4.783 50 0 FJAARO Cc1ccccc1COc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000113398762 570544407 /nfs/dbraw/zinc/54/44/07/570544407.db2.gz LCYSFBCDLWOVGV-UHFFFAOYSA-N 1 0 371.484 4.783 50 0 FJAARO Cc1cccc(COc2ccccc2C[NH2+]CCc2nc3ccccc3[nH]2)c1 ZINC000113401394 570544418 /nfs/dbraw/zinc/54/44/18/570544418.db2.gz CNESOIUWJWVPTF-UHFFFAOYSA-N 1 0 371.484 4.783 50 0 FJAARO C[S@@](=O)c1ccc(C[NH2+]CC(C)(C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408513114 570563817 /nfs/dbraw/zinc/56/38/17/570563817.db2.gz VGHYYCFGKBAFBL-HSZRJFAPSA-N 1 0 370.345 4.798 50 0 FJAARO CC1=[NH+]CCN1CCO[C@H](c1ccccc1)c1ccc(Cl)cc1Cl ZINC000005127266 570587331 /nfs/dbraw/zinc/58/73/31/570587331.db2.gz KAICPRHSALATTA-LJQANCHMSA-N 1 0 363.288 4.833 50 0 FJAARO CCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)c1 ZINC000011917277 570601887 /nfs/dbraw/zinc/60/18/87/570601887.db2.gz OGUASRAWFKJTDS-FQEVSTJZSA-N 1 0 374.912 4.552 50 0 FJAARO COc1ccccc1N1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000004817299 570608405 /nfs/dbraw/zinc/60/84/05/570608405.db2.gz FLIKVGYOJWGWQE-UHFFFAOYSA-N 1 0 370.496 4.589 50 0 FJAARO CC(C)(C)[NH2+]CCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc21 ZINC000004859443 570611195 /nfs/dbraw/zinc/61/11/95/570611195.db2.gz DNBDAAVJXJHADK-UHFFFAOYSA-N 1 0 366.896 4.998 50 0 FJAARO Cc1ccc(C)c(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)c1 ZINC000004989518 570616581 /nfs/dbraw/zinc/61/65/81/570616581.db2.gz IKUSTJVCCKVNLS-UHFFFAOYSA-N 1 0 374.322 4.550 50 0 FJAARO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2)cc1 ZINC000005013854 570618390 /nfs/dbraw/zinc/61/83/90/570618390.db2.gz RRZJGAZTGINHFZ-UHFFFAOYSA-N 1 0 357.432 4.968 50 0 FJAARO COc1ccc(/C=C\n2c3ccc(F)cc3c3c2CCCN(C)C3)cc1 ZINC000075567545 570632508 /nfs/dbraw/zinc/63/25/08/570632508.db2.gz LRDQCTRNKKDUBD-QBFSEMIESA-N 1 0 350.437 4.795 50 0 FJAARO CC[C@H](C)C(=O)OC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822754 570634510 /nfs/dbraw/zinc/63/45/10/570634510.db2.gz GJJKYTBLENQIRA-JLJPHGGASA-N 1 0 357.416 4.678 50 0 FJAARO Clc1ccccc1CNc1nc2ccccc2n1CC[NH+]1CCCCC1 ZINC000006438500 570647062 /nfs/dbraw/zinc/64/70/62/570647062.db2.gz QWMNBTSUELGXRA-UHFFFAOYSA-N 1 0 368.912 4.788 50 0 FJAARO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(F)cc2)cc1 ZINC000008474528 570682316 /nfs/dbraw/zinc/68/23/16/570682316.db2.gz PVECIMSYBCLTJU-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000008471588 570682499 /nfs/dbraw/zinc/68/24/99/570682499.db2.gz ZKSWDBRPFLTTAS-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO COc1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(OC)c1OC ZINC000008534506 570682893 /nfs/dbraw/zinc/68/28/93/570682893.db2.gz DQHMYRKDBMXMAP-NJMHRBNOSA-N 1 0 359.510 4.551 50 0 FJAARO CC[C@@H](CO)[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000010315536 570699715 /nfs/dbraw/zinc/69/97/15/570699715.db2.gz QEALUZVSOKJTOY-KRWDZBQOSA-N 1 0 356.897 4.512 50 0 FJAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccccc1C(F)(F)F ZINC000011754033 570706288 /nfs/dbraw/zinc/70/62/88/570706288.db2.gz CHXZVUCUDUYUHL-HNNXBMFYSA-N 1 0 368.443 4.622 50 0 FJAARO Cc1c([C@H](C)[NH2+]C2CCSCC2)cnn1-c1cccc2ccccc21 ZINC000011818558 570708464 /nfs/dbraw/zinc/70/84/64/570708464.db2.gz DLNWKXHWYBXLNX-HNNXBMFYSA-N 1 0 351.519 4.880 50 0 FJAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](CC(C)C)CC2)c1 ZINC000011839217 570708911 /nfs/dbraw/zinc/70/89/11/570708911.db2.gz PZVHAVUYQDNXHC-UHFFFAOYSA-N 1 0 366.505 4.669 50 0 FJAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+]2CCCC2)cc1F ZINC000011842852 570709326 /nfs/dbraw/zinc/70/93/26/570709326.db2.gz LXKMKACRLNBGQO-UHFFFAOYSA-N 1 0 365.452 4.591 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)cc1F ZINC000012151217 570723630 /nfs/dbraw/zinc/72/36/30/570723630.db2.gz UVADPZQJHLGRKV-DOTOQJQBSA-N 1 0 357.448 4.891 50 0 FJAARO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000012197981 570726752 /nfs/dbraw/zinc/72/67/52/570726752.db2.gz UOERYGBEQSEUMT-HSZRJFAPSA-N 1 0 356.469 4.844 50 0 FJAARO O=C(Nc1cccc(F)c1)[C@H]1CC12CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000012204608 570727595 /nfs/dbraw/zinc/72/75/95/570727595.db2.gz UWDDWBDYPHTKBD-LJQANCHMSA-N 1 0 372.871 4.720 50 0 FJAARO Cc1oc(-c2ccco2)nc1C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000012299592 570733319 /nfs/dbraw/zinc/73/33/19/570733319.db2.gz VCGFOEXCZWOBJY-GOSISDBHSA-N 1 0 351.450 4.625 50 0 FJAARO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cccc(-n3cccn3)c2)cc1C ZINC000012302698 570734425 /nfs/dbraw/zinc/73/44/25/570734425.db2.gz FHDPBRRXCBJYJY-UHFFFAOYSA-N 1 0 371.488 4.511 50 0 FJAARO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000012303719 570734527 /nfs/dbraw/zinc/73/45/27/570734527.db2.gz OWWATPBUIZLSBP-OAHLLOKOSA-N 1 0 353.409 4.862 50 0 FJAARO CCn1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)c1C ZINC000012441910 570746145 /nfs/dbraw/zinc/74/61/45/570746145.db2.gz URKWGAOENROFBU-IBGZPJMESA-N 1 0 367.537 4.604 50 0 FJAARO Cc1cc2occ(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2cc1C(C)C ZINC000013017864 570772415 /nfs/dbraw/zinc/77/24/15/570772415.db2.gz LRXMMRNTLDONDC-UHFFFAOYSA-N 1 0 370.537 4.833 50 0 FJAARO CCCCOCCC[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000013720037 570786366 /nfs/dbraw/zinc/78/63/66/570786366.db2.gz CRNMCHGLDPUAMM-UHFFFAOYSA-N 1 0 371.521 4.613 50 0 FJAARO CC(C)OCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000013721966 570786880 /nfs/dbraw/zinc/78/68/80/570786880.db2.gz HVMVOJHPACGDCA-UHFFFAOYSA-N 1 0 352.272 4.614 50 0 FJAARO CCOc1c(C[NH2+]CCc2ccc(Cl)cc2Cl)cccc1OC ZINC000013723016 570787226 /nfs/dbraw/zinc/78/72/26/570787226.db2.gz GDORBKDQEONGPE-UHFFFAOYSA-N 1 0 354.277 4.733 50 0 FJAARO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000014201384 570812706 /nfs/dbraw/zinc/81/27/06/570812706.db2.gz LFLNELPFZXJASF-GOSISDBHSA-N 1 0 350.506 4.667 50 0 FJAARO O=C1CCCN1c1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1 ZINC000015581162 570840685 /nfs/dbraw/zinc/84/06/85/570840685.db2.gz CKWIFPFOZGTZDG-UHFFFAOYSA-N 1 0 364.420 4.502 50 0 FJAARO CCCOc1ccc([C@@](O)(CC[NH+]2CCCCC2)c2ccc(C)cc2)cc1 ZINC000015836988 570845264 /nfs/dbraw/zinc/84/52/64/570845264.db2.gz XXSXPVUITMQTJP-XMMPIXPASA-N 1 0 367.533 4.896 50 0 FJAARO C[C@H](c1ccccc1)[N@H+](C)CC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000016047208 570849888 /nfs/dbraw/zinc/84/98/88/570849888.db2.gz IMUIKBFKTPHJPU-GOSISDBHSA-N 1 0 352.478 4.759 50 0 FJAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000016401779 570855858 /nfs/dbraw/zinc/85/58/58/570855858.db2.gz USMURXJCDSYENG-GOSISDBHSA-N 1 0 366.288 4.841 50 0 FJAARO O[C@H](C[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 ZINC000016477474 570857233 /nfs/dbraw/zinc/85/72/33/570857233.db2.gz UPZQINKDOGJFGH-JOCHJYFZSA-N 1 0 367.876 4.742 50 0 FJAARO COc1ccccc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019358986 570887552 /nfs/dbraw/zinc/88/75/52/570887552.db2.gz ZACALRGLMFHCPU-UHFFFAOYSA-N 1 0 372.512 4.602 50 0 FJAARO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000019418404 570888655 /nfs/dbraw/zinc/88/86/55/570888655.db2.gz KXVVDDZQFBVBQJ-IBGZPJMESA-N 1 0 370.496 4.736 50 0 FJAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3ccc(C(F)(F)F)cc3)c2c1 ZINC000019798227 570903324 /nfs/dbraw/zinc/90/33/24/570903324.db2.gz NWBFIOGWULTPOD-UHFFFAOYSA-N 1 0 362.395 4.836 50 0 FJAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+](C)C1CCOCC1 ZINC000020137289 570910925 /nfs/dbraw/zinc/91/09/25/570910925.db2.gz PRBYUGGDXNFWQN-UHFFFAOYSA-N 1 0 362.473 4.928 50 0 FJAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(C(F)(F)F)cc1)[NH2+]CC2 ZINC000020506979 570919070 /nfs/dbraw/zinc/91/90/70/570919070.db2.gz YJILLLFCIYGBTA-IBGZPJMESA-N 1 0 365.395 4.738 50 0 FJAARO Cc1ccc(COc2ccc3ccccc3c2CNCCC[NH+](C)C)cc1 ZINC000020874210 570926215 /nfs/dbraw/zinc/92/62/15/570926215.db2.gz ZRXZLMQWGPUYMW-UHFFFAOYSA-N 1 0 362.517 4.769 50 0 FJAARO Cc1ccc(NC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)cc1C ZINC000021663463 570932286 /nfs/dbraw/zinc/93/22/86/570932286.db2.gz HHMWCYUHWVZMDP-UHFFFAOYSA-N 1 0 369.534 4.529 50 0 FJAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000048341524 570948376 /nfs/dbraw/zinc/94/83/76/570948376.db2.gz HLOZPDWBBOTQTH-UHFFFAOYSA-N 1 0 354.837 4.848 50 0 FJAARO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000024715984 570980597 /nfs/dbraw/zinc/98/05/97/570980597.db2.gz ZANBINYQLPJHJL-LIRRHRJNSA-N 1 0 358.869 4.513 50 0 FJAARO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010978715 570992476 /nfs/dbraw/zinc/99/24/76/570992476.db2.gz HULAJHHSRQFALL-GOSISDBHSA-N 1 0 366.505 4.562 50 0 FJAARO CC1(C)CC(=O)C[C@@]2(C1)[NH2+]C[C@H](c1ccccc1)c1c3ccccc3[nH]c12 ZINC000025721244 570999660 /nfs/dbraw/zinc/99/96/60/570999660.db2.gz RDUOSIUGTZVTHR-DVECYGJZSA-N 1 0 358.485 4.878 50 0 FJAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1ccccc1 ZINC000027582720 571014669 /nfs/dbraw/zinc/01/46/69/571014669.db2.gz QOUMJVCAQYQYOW-FQEVSTJZSA-N 1 0 356.897 4.687 50 0 FJAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000028287619 571029189 /nfs/dbraw/zinc/02/91/89/571029189.db2.gz YUIWAOKYULNQRJ-KRWDZBQOSA-N 1 0 368.502 4.678 50 0 FJAARO Cc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028288658 571029674 /nfs/dbraw/zinc/02/96/74/571029674.db2.gz PLGBTNHRFYTJIK-JOCHJYFZSA-N 1 0 364.533 4.859 50 0 FJAARO CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000028427553 571032019 /nfs/dbraw/zinc/03/20/19/571032019.db2.gz ZRLLDOMZMAWRGC-QGZVFWFLSA-N 1 0 368.304 4.741 50 0 FJAARO C[N@H+](CC(=O)Nc1ccccc1SC(F)F)[C@H]1CCc2ccccc21 ZINC000029487174 571040711 /nfs/dbraw/zinc/04/07/11/571040711.db2.gz CNOBJZSBJAASGU-INIZCTEOSA-N 1 0 362.445 4.559 50 0 FJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]Cc1ccnc(OCC2CC2)c1 ZINC000225509693 571041681 /nfs/dbraw/zinc/04/16/81/571041681.db2.gz SEWDQECOHFHEGX-OAQYLSRUSA-N 1 0 361.489 4.827 50 0 FJAARO C[C@H](Nc1nc(C(F)F)nc2ccccc21)[C@H](c1ccccc1)[NH+](C)C ZINC000225532930 571043716 /nfs/dbraw/zinc/04/37/16/571043716.db2.gz GWRUGJNTCLOKQC-SUMWQHHRSA-N 1 0 356.420 4.671 50 0 FJAARO COc1ccc2c(c1OC)CC[C@@H]2Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000225604866 571048901 /nfs/dbraw/zinc/04/89/01/571048901.db2.gz JWYJXSIKQGYAOW-SFHVURJKSA-N 1 0 360.885 4.518 50 0 FJAARO CCCOc1ccc2[nH]c(C)c(C[N@H+](C)Cc3ccccc3)c(=O)c2c1 ZINC000008572501 571050625 /nfs/dbraw/zinc/05/06/25/571050625.db2.gz MFVJVIOWAHNICS-UHFFFAOYSA-N 1 0 350.462 4.670 50 0 FJAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Nc3cccc(Cl)c3C)C2)cc1 ZINC000008614036 571052672 /nfs/dbraw/zinc/05/26/72/571052672.db2.gz FNZNPRYSSUBBQJ-GOSISDBHSA-N 1 0 371.912 4.600 50 0 FJAARO CC[C@](CO)(NCc1csc(-c2ccc(C)cc2)n1)c1ccccc1 ZINC000072305155 571060690 /nfs/dbraw/zinc/06/06/90/571060690.db2.gz AYXBTLKTBRBRTL-OAQYLSRUSA-N 1 0 352.503 4.506 50 0 FJAARO CC[C@@](CO)(NCc1csc(-c2ccc(C)cc2)n1)c1ccccc1 ZINC000072305156 571060724 /nfs/dbraw/zinc/06/07/24/571060724.db2.gz AYXBTLKTBRBRTL-NRFANRHFSA-N 1 0 352.503 4.506 50 0 FJAARO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018643 571061057 /nfs/dbraw/zinc/06/10/57/571061057.db2.gz HEOGXTZVCXQEEI-UHFFFAOYSA-N 1 0 351.446 4.522 50 0 FJAARO CCOc1ccc(C[N@H+](CC)Cc2cc(=O)oc3ccc(C)cc23)cc1 ZINC000033018681 571061138 /nfs/dbraw/zinc/06/11/38/571061138.db2.gz UFHOSGWQEZDGMW-UHFFFAOYSA-N 1 0 351.446 4.522 50 0 FJAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@H]1c1cccc(F)c1 ZINC000033087179 571061996 /nfs/dbraw/zinc/06/19/96/571061996.db2.gz YCWDIDQYOBYSBD-IBGZPJMESA-N 1 0 373.468 4.969 50 0 FJAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)s2)cc(OC)c1O ZINC000033087142 571062126 /nfs/dbraw/zinc/06/21/26/571062126.db2.gz NSCBILRHIRXZRL-MRXNPFEDSA-N 1 0 361.507 4.897 50 0 FJAARO Cc1nc(-c2ccccc2)sc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000072308076 571064640 /nfs/dbraw/zinc/06/46/40/571064640.db2.gz JYCMAPHKIYKHJB-UHFFFAOYSA-N 1 0 365.502 4.557 50 0 FJAARO CCn1c2ccccc2c2cc(C[N@H+](C)C[C@H](O)c3ccccc3)ccc21 ZINC000023280024 571070476 /nfs/dbraw/zinc/07/04/76/571070476.db2.gz XETHWDUYPHMOTF-DEOSSOPVSA-N 1 0 358.485 4.980 50 0 FJAARO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3cccc(C)c3)ccc2c1 ZINC000012751251 571076080 /nfs/dbraw/zinc/07/60/80/571076080.db2.gz GDQWSDRVTJWXKN-KRWDZBQOSA-N 1 0 362.473 4.616 50 0 FJAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000035805114 571078709 /nfs/dbraw/zinc/07/87/09/571078709.db2.gz ORWLKMDKIDUEDO-MRXNPFEDSA-N 1 0 353.293 4.827 50 0 FJAARO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccccc2C)cc1 ZINC000040722715 571093158 /nfs/dbraw/zinc/09/31/58/571093158.db2.gz JYVGANIQKQYKNU-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO CCOc1cc(C[NH2+]CCC(C)C)cc(Br)c1OC(C)C ZINC000040729142 571093588 /nfs/dbraw/zinc/09/35/88/571093588.db2.gz WZUBHFXEXRVEON-UHFFFAOYSA-N 1 0 358.320 4.771 50 0 FJAARO CC(C)Oc1ccc(Br)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000040730188 571093893 /nfs/dbraw/zinc/09/38/93/571093893.db2.gz OSJBKVLCKJAVTN-UHFFFAOYSA-N 1 0 352.247 4.665 50 0 FJAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCO1 ZINC000040735034 571094928 /nfs/dbraw/zinc/09/49/28/571094928.db2.gz AUEYHNFVHIRWLY-OAQYLSRUSA-N 1 0 361.485 4.996 50 0 FJAARO Clc1cccc(Cl)c1COc1cccc(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000040738413 571095193 /nfs/dbraw/zinc/09/51/93/571095193.db2.gz AZBHZVVLTLOLRT-INIZCTEOSA-N 1 0 366.288 4.841 50 0 FJAARO Fc1cccc(Cl)c1COc1cccc(C[NH2+]Cc2ccccn2)c1 ZINC000040738756 571095312 /nfs/dbraw/zinc/09/53/12/571095312.db2.gz QCEOKHYQBMVBHI-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743203 571095478 /nfs/dbraw/zinc/09/54/78/571095478.db2.gz CLZZZZHZQMFSCU-MRXNPFEDSA-N 1 0 372.267 4.572 50 0 FJAARO Cc1ccc(NC(=O)COc2ccc(Cl)cc2C[NH2+]CCC(C)C)cc1 ZINC000040743630 571095896 /nfs/dbraw/zinc/09/58/96/571095896.db2.gz BCZLOTDGAWQBKR-UHFFFAOYSA-N 1 0 374.912 4.802 50 0 FJAARO OCCCC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040744284 571096468 /nfs/dbraw/zinc/09/64/68/571096468.db2.gz VPVHCLCIVKOACL-UHFFFAOYSA-N 1 0 369.892 4.934 50 0 FJAARO Brc1cc(Cc2ccccc2)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042770236 571098624 /nfs/dbraw/zinc/09/86/24/571098624.db2.gz SOMBPLAULBZBHS-GOSISDBHSA-N 1 0 374.322 4.951 50 0 FJAARO CCOC(=O)CCCCCCC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000043211117 571099704 /nfs/dbraw/zinc/09/97/04/571099704.db2.gz DVWNYXBFGIEPOF-UHFFFAOYSA-N 1 0 359.510 4.759 50 0 FJAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccnc2)c(C)c1 ZINC000009220982 571101477 /nfs/dbraw/zinc/10/14/77/571101477.db2.gz HSPSXSJCNFWIGA-UHFFFAOYSA-N 1 0 368.484 4.841 50 0 FJAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000015679747 571103326 /nfs/dbraw/zinc/10/33/26/571103326.db2.gz LSXIKYFBRSHXCS-UHFFFAOYSA-N 1 0 371.550 4.883 50 0 FJAARO CC[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2cccc(C)c2)CC1 ZINC000015679804 571103345 /nfs/dbraw/zinc/10/33/45/571103345.db2.gz VLJVDDYDAZTGTI-UHFFFAOYSA-N 1 0 369.484 4.653 50 0 FJAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(C)cc1 ZINC000044935792 571105196 /nfs/dbraw/zinc/10/51/96/571105196.db2.gz QTLBTQNDHRDJAT-QFIPXVFZSA-N 1 0 368.496 4.614 50 0 FJAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000044934949 571105245 /nfs/dbraw/zinc/10/52/45/571105245.db2.gz FKEUHHVJLNAPRA-GOSISDBHSA-N 1 0 368.496 4.532 50 0 FJAARO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000044934151 571105363 /nfs/dbraw/zinc/10/53/63/571105363.db2.gz FULQOPCNDBFNLU-HNNXBMFYSA-N 1 0 374.887 4.569 50 0 FJAARO CC1CC[NH+]([C@@H](CNC(=O)c2cc3ccccc3o2)c2cccs2)CC1 ZINC000033028228 571110155 /nfs/dbraw/zinc/11/01/55/571110155.db2.gz VGTYQRRLOORCDS-KRWDZBQOSA-N 1 0 368.502 4.697 50 0 FJAARO O=C(Cc1cccc2ccccc21)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000006083469 571118597 /nfs/dbraw/zinc/11/85/97/571118597.db2.gz RIXHXFMAIULKFA-UHFFFAOYSA-N 1 0 364.533 4.687 50 0 FJAARO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1cccc(Cl)c1 ZINC000010139754 571123126 /nfs/dbraw/zinc/12/31/26/571123126.db2.gz WOWOHNMORJZUIA-UHFFFAOYSA-N 1 0 367.880 4.639 50 0 FJAARO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000011154933 571124793 /nfs/dbraw/zinc/12/47/93/571124793.db2.gz NZDLLKFGOKXOII-UHFFFAOYSA-N 1 0 350.506 4.587 50 0 FJAARO O[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000247737584 571125873 /nfs/dbraw/zinc/12/58/73/571125873.db2.gz LXTJTDXLWWMNEX-DEOSSOPVSA-N 1 0 356.469 4.513 50 0 FJAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000071809760 571126066 /nfs/dbraw/zinc/12/60/66/571126066.db2.gz LROWPSAYMPNSMR-CQSZACIVSA-N 1 0 355.432 4.661 50 0 FJAARO CC(C)n1nc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)n1 ZINC000247988367 571126925 /nfs/dbraw/zinc/12/69/25/571126925.db2.gz JIBZBBRVPYSDFK-UHFFFAOYSA-N 1 0 350.510 4.584 50 0 FJAARO COc1ccccc1C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248131373 571127843 /nfs/dbraw/zinc/12/78/43/571127843.db2.gz KPRASLVUAOICMT-UHFFFAOYSA-N 1 0 356.469 4.988 50 0 FJAARO CC[C@@H](C)[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000248232643 571128206 /nfs/dbraw/zinc/12/82/06/571128206.db2.gz LGYCSRDPZPYTRB-OAHLLOKOSA-N 1 0 354.885 4.535 50 0 FJAARO CCOCCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248289413 571128558 /nfs/dbraw/zinc/12/85/58/571128558.db2.gz JGJJAJLDOQBIPP-UHFFFAOYSA-N 1 0 356.897 4.859 50 0 FJAARO CC[C@H](C)[NH2+]Cc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000248261254 571128854 /nfs/dbraw/zinc/12/88/54/571128854.db2.gz WFEXGCRJEVVOQN-AWEZNQCLSA-N 1 0 372.875 4.674 50 0 FJAARO O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000025144548 571135015 /nfs/dbraw/zinc/13/50/15/571135015.db2.gz KHOXIGNXJFLODI-ZWKOTPCHSA-N 1 0 368.443 4.523 50 0 FJAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(OC(C)C)cc3)c2c1 ZINC000000952830 571140324 /nfs/dbraw/zinc/14/03/24/571140324.db2.gz AYOPPHTYJGWPJR-UHFFFAOYSA-N 1 0 364.445 4.673 50 0 FJAARO CC[N@H+](Cc1ccncc1)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000004676802 571158031 /nfs/dbraw/zinc/15/80/31/571158031.db2.gz BHKGRPIKNDPHRT-UHFFFAOYSA-N 1 0 362.473 4.691 50 0 FJAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1ccc(F)cc1 ZINC000004678313 571158442 /nfs/dbraw/zinc/15/84/42/571158442.db2.gz IGPYJDOMALMEED-UHFFFAOYSA-N 1 0 360.230 4.601 50 0 FJAARO Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000071375999 571160991 /nfs/dbraw/zinc/16/09/91/571160991.db2.gz QYDWKBCTLIGSNZ-SFHVURJKSA-N 1 0 354.519 4.568 50 0 FJAARO CCN(CC[NH+](C)C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000072119566 571170122 /nfs/dbraw/zinc/17/01/22/571170122.db2.gz SWEYCGIHHMWSLP-UHFFFAOYSA-N 1 0 369.896 4.512 50 0 FJAARO CSc1ccccc1C(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575622462 571173138 /nfs/dbraw/zinc/17/31/38/571173138.db2.gz ZATJVZRNJVHTRG-KRWDZBQOSA-N 1 0 370.543 4.656 50 0 FJAARO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000072154971 571175158 /nfs/dbraw/zinc/17/51/58/571175158.db2.gz SQZXYOBAARFCAS-UHFFFAOYSA-N 1 0 374.406 4.670 50 0 FJAARO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccnc1 ZINC000012533239 571175487 /nfs/dbraw/zinc/17/54/87/571175487.db2.gz OGTBZLVRUQFBDO-LJQANCHMSA-N 1 0 368.484 4.844 50 0 FJAARO COc1cccc(NC(=O)[C@@H]([NH2+]CCC2=CCCCC2)c2ccccc2)c1 ZINC000003351489 571181545 /nfs/dbraw/zinc/18/15/45/571181545.db2.gz LGJFTMWAOSYOOQ-QFIPXVFZSA-N 1 0 364.489 4.855 50 0 FJAARO CC[N@H+](CCOC)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000072431358 571195652 /nfs/dbraw/zinc/19/56/52/571195652.db2.gz WJZWMCKPNJLOFA-UHFFFAOYSA-N 1 0 355.526 4.603 50 0 FJAARO CC[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000239331244 571195806 /nfs/dbraw/zinc/19/58/06/571195806.db2.gz KIXGFZRPUASEFM-FXSWLTOZSA-N 1 0 371.524 5.462 50 0 FJAARO Cc1ccc(CSc2ccccc2NC(=O)N2CCC[C@H]([NH3+])CC2)cc1 ZINC000299790489 571200810 /nfs/dbraw/zinc/20/08/10/571200810.db2.gz BTGFXPRFVINTBT-SFHVURJKSA-N 1 0 369.534 4.632 50 0 FJAARO COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c1 ZINC000075448658 571203239 /nfs/dbraw/zinc/20/32/39/571203239.db2.gz SCTVSFLZPJVFMB-LJQANCHMSA-N 1 0 366.465 4.534 50 0 FJAARO CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccc(F)cc1 ZINC000035840560 571206406 /nfs/dbraw/zinc/20/64/06/571206406.db2.gz NHOVKKBUOUTGNN-JOCHJYFZSA-N 1 0 360.517 4.685 50 0 FJAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccc3[nH]ccc3c2)cc1 ZINC000077408033 571210983 /nfs/dbraw/zinc/21/09/83/571210983.db2.gz KJFVDYHKXDRTCX-JOCHJYFZSA-N 1 0 361.489 4.597 50 0 FJAARO CN(C[C@@]1(C)CC[N@H+](C)C1)C(=O)c1cccc(-c2ccc(Cl)cc2F)c1 ZINC000426372004 571216365 /nfs/dbraw/zinc/21/63/65/571216365.db2.gz IFIKRLLGANLQSU-NRFANRHFSA-N 1 0 374.887 4.560 50 0 FJAARO CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)c1cccc(-c2ccc(Cl)cc2F)c1 ZINC000426372007 571216369 /nfs/dbraw/zinc/21/63/69/571216369.db2.gz IFIKRLLGANLQSU-OAQYLSRUSA-N 1 0 374.887 4.560 50 0 FJAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cccc2ccccc21 ZINC000023128071 571217515 /nfs/dbraw/zinc/21/75/15/571217515.db2.gz NHHLNTBUPPSOJZ-UHFFFAOYSA-N 1 0 364.514 4.543 50 0 FJAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc(Oc4ccccc4)cc3)[C@H]2C1 ZINC000426388043 571218658 /nfs/dbraw/zinc/21/86/58/571218658.db2.gz UILGOOCZTQPFOY-RJGXRXQPSA-N 1 0 367.489 4.637 50 0 FJAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccn(C(C)(C)C)c2)cc1 ZINC000082125402 571228796 /nfs/dbraw/zinc/22/87/96/571228796.db2.gz ZTCGBUWKDKPKQM-OAQYLSRUSA-N 1 0 367.537 4.672 50 0 FJAARO CCCC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(-c2c[nH+]ccc2N)cc1 ZINC000426566852 571231882 /nfs/dbraw/zinc/23/18/82/571231882.db2.gz GXIJALFKAPFZSJ-QFIPXVFZSA-N 1 0 374.488 4.560 50 0 FJAARO CNC(=O)c1cc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)ccc1Cl ZINC000426667609 571234560 /nfs/dbraw/zinc/23/45/60/571234560.db2.gz QOZDHMWZTNMBNC-OAHLLOKOSA-N 1 0 356.897 4.914 50 0 FJAARO CC[NH2+]Cc1cc(Br)ccc1OCc1c(F)cccc1Cl ZINC000040739673 571237762 /nfs/dbraw/zinc/23/77/62/571237762.db2.gz FESCGBCTVXSCBM-UHFFFAOYSA-N 1 0 372.665 4.930 50 0 FJAARO C[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000040739565 571237819 /nfs/dbraw/zinc/23/78/19/571237819.db2.gz IJQFVTWLPYPOBH-UHFFFAOYSA-N 1 0 358.638 4.540 50 0 FJAARO C[N@H+](Cc1cc(=O)c2cccc(Cl)c2[nH]1)[C@H](c1ccccn1)C1CC1 ZINC000091254850 571238506 /nfs/dbraw/zinc/23/85/06/571238506.db2.gz LXVMZOMXCUBTBF-FQEVSTJZSA-N 1 0 353.853 4.572 50 0 FJAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)s1 ZINC000036101545 571241663 /nfs/dbraw/zinc/24/16/63/571241663.db2.gz XQSZKPBIWCDYCT-NRFANRHFSA-N 1 0 369.505 4.801 50 0 FJAARO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000036392197 571252596 /nfs/dbraw/zinc/25/25/96/571252596.db2.gz SCZBBBNRXJPTBF-QHCPKHFHSA-N 1 0 374.484 4.516 50 0 FJAARO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007039374 571258039 /nfs/dbraw/zinc/25/80/39/571258039.db2.gz RNQJFOKUSFRFHP-WZONZLPQSA-N 1 0 373.500 4.856 50 0 FJAARO Cc1ccc2nc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)cn2c1 ZINC000007488220 571266080 /nfs/dbraw/zinc/26/60/80/571266080.db2.gz GVZJBTLIRXJQQF-MRXNPFEDSA-N 1 0 362.502 4.632 50 0 FJAARO C[C@@H](c1ccccc1)[N@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000170623433 571269165 /nfs/dbraw/zinc/26/91/65/571269165.db2.gz RVMBQMFUNIBPPN-WHEQGISXSA-N 1 0 356.318 4.794 50 0 FJAARO O=C(Nc1ccccc1OC1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000170626663 571269431 /nfs/dbraw/zinc/26/94/31/571269431.db2.gz VHRLNTRGZOPJCA-UHFFFAOYSA-N 1 0 364.489 4.856 50 0 FJAARO O[C@H](C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000252512255 571281834 /nfs/dbraw/zinc/28/18/34/571281834.db2.gz OMXZPAKUEDUQIB-TZIWHRDSSA-N 1 0 371.452 4.707 50 0 FJAARO C[C@H]1C[C@H]1c1ccc(CN(C)Cc2cc(=O)oc3cc4c(cc23)CCC4)o1 ZINC000017524028 571282429 /nfs/dbraw/zinc/28/24/29/571282429.db2.gz XDJRQQVWUSXAFQ-IFXJQAMLSA-N 1 0 363.457 4.630 50 0 FJAARO C[NH+](C)C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000007817859 571289869 /nfs/dbraw/zinc/28/98/69/571289869.db2.gz IZMWWLADILKEFV-SFHVURJKSA-N 1 0 368.864 4.633 50 0 FJAARO CCCOc1ccc(-c2c(C)n(O)c(C)c(-c3ccc(F)cc3)[n+]2=O)cc1 ZINC000136894923 571309338 /nfs/dbraw/zinc/30/93/38/571309338.db2.gz HGDSFCVARYUIOE-UHFFFAOYSA-N 1 0 369.416 4.519 50 0 FJAARO CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)[NH3+])CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000257347833 571311600 /nfs/dbraw/zinc/31/16/00/571311600.db2.gz VJYVCSBIXCOHFV-MNFQXARNSA-N 1 0 361.570 4.924 50 0 FJAARO OC(C[NH2+]Cc1ccc(Cl)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020365907 571328938 /nfs/dbraw/zinc/32/89/38/571328938.db2.gz BYWPVERJPJMBAW-UHFFFAOYSA-N 1 0 373.830 4.644 50 0 FJAARO CC(C)(C)Oc1cccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)n1 ZINC000095454144 571329981 /nfs/dbraw/zinc/32/99/81/571329981.db2.gz VKFNTXNXHOEWHJ-UHFFFAOYSA-N 1 0 364.493 4.515 50 0 FJAARO C[C@@H](c1ccccn1)[N@H+](Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000095456009 571330000 /nfs/dbraw/zinc/33/00/00/571330000.db2.gz NXFLSYVFVRKBOW-SFHVURJKSA-N 1 0 369.468 4.687 50 0 FJAARO CC(C)(C)C(=O)N1CCC[N@H+](CCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000095940906 571332378 /nfs/dbraw/zinc/33/23/78/571332378.db2.gz ISGHEQZQKYWTPJ-UHFFFAOYSA-N 1 0 371.352 4.506 50 0 FJAARO CC(C)(C)[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc2ccccc2o1 ZINC000095996232 571333587 /nfs/dbraw/zinc/33/35/87/571333587.db2.gz HCCDCFZJUMPLFN-JOCHJYFZSA-N 1 0 374.488 4.950 50 0 FJAARO COc1ccc(OCC[NH+]2CCC(CCCc3ccccc3)CC2)cc1 ZINC000096027236 571334070 /nfs/dbraw/zinc/33/40/70/571334070.db2.gz OANHLRHQXQWPCY-UHFFFAOYSA-N 1 0 353.506 4.809 50 0 FJAARO CC[NH+](CC)CCCOC(=O)c1ccccc1Nc1cccc(C)c1C ZINC000096026992 571334109 /nfs/dbraw/zinc/33/41/09/571334109.db2.gz QUGJAQKNPJACDS-UHFFFAOYSA-N 1 0 354.494 4.936 50 0 FJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCC[C@@](O)(c1ccccc1)c1ccccn1 ZINC000096027853 571334124 /nfs/dbraw/zinc/33/41/24/571334124.db2.gz DOMLQNJBAMPKKT-ZRCGQRJVSA-N 1 0 352.522 4.751 50 0 FJAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2ccc(Cl)cc2s1 ZINC000096343542 571335450 /nfs/dbraw/zinc/33/54/50/571335450.db2.gz NNJADAKPFVSVOC-GDBMZVCRSA-N 1 0 362.926 4.549 50 0 FJAARO O=C(c1ccc(Br)cc1)[C@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000002655113 571340197 /nfs/dbraw/zinc/34/01/97/571340197.db2.gz JIWYMIYHPRPHAB-IBGZPJMESA-N 1 0 372.306 4.729 50 0 FJAARO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000057364750 571342877 /nfs/dbraw/zinc/34/28/77/571342877.db2.gz OPBPNELEYQRZBO-ZIAGYGMSSA-N 1 0 350.384 4.692 50 0 FJAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2cccs2)c2ccccc2)cc1 ZINC000057470804 571343545 /nfs/dbraw/zinc/34/35/45/571343545.db2.gz DTCOOPGRQHHQRT-JXFKEZNVSA-N 1 0 350.487 4.763 50 0 FJAARO Cc1cc(C)cc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000003058554 571344379 /nfs/dbraw/zinc/34/43/79/571344379.db2.gz PQESEMZKLHXENR-RXVVDRJESA-N 1 0 373.610 4.975 50 0 FJAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000030640371 571347100 /nfs/dbraw/zinc/34/71/00/571347100.db2.gz RBTGCRNVOOIHDH-ZDUSSCGKSA-N 1 0 361.283 4.648 50 0 FJAARO COc1ccccc1[C@@]1(CC[NH2+]Cc2ccccc2)CCO[C@@H](C(C)C)C1 ZINC000004043895 571354433 /nfs/dbraw/zinc/35/44/33/571354433.db2.gz MCHNBXKKQKBCSE-RPWUZVMVSA-N 1 0 367.533 4.948 50 0 FJAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(C(C)C)CCO1 ZINC000004073512 571354799 /nfs/dbraw/zinc/35/47/99/571354799.db2.gz KTTAQLFNXHNCAF-YADHBBJMSA-N 1 0 363.542 4.805 50 0 FJAARO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000032355543 571357202 /nfs/dbraw/zinc/35/72/02/571357202.db2.gz PSYXKCMZUDAQPS-KRWDZBQOSA-N 1 0 363.288 4.560 50 0 FJAARO C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCCc2ccccc21 ZINC000008126651 571359174 /nfs/dbraw/zinc/35/91/74/571359174.db2.gz ONTRIUKBHNWJAM-GOSISDBHSA-N 1 0 363.288 4.941 50 0 FJAARO COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2S[C@@H](C)C3)cc1 ZINC000000624668 210252409 /nfs/dbraw/zinc/25/24/09/210252409.db2.gz PPKCJKXEBVKJHM-ZDUSSCGKSA-N 1 0 357.886 4.588 50 0 FJAARO COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2SCCC3)cc1 ZINC000000623137 210251434 /nfs/dbraw/zinc/25/14/34/210251434.db2.gz AXWUWOOJFFNRST-UHFFFAOYSA-N 1 0 357.886 4.590 50 0 FJAARO CC1CC[NH+](CCOc2ccc3c(c2)occ(-c2ccccc2)c3=O)CC1 ZINC000006760822 210231612 /nfs/dbraw/zinc/23/16/12/210231612.db2.gz WTDXPLBIVRTXGM-UHFFFAOYSA-N 1 0 363.457 4.571 50 0 FJAARO Cc1cc(C)c2oc(=O)cc(C[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000005556960 210228962 /nfs/dbraw/zinc/22/89/62/210228962.db2.gz YUNLBMUBIFGHGC-UHFFFAOYSA-N 1 0 361.485 4.865 50 0 FJAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2c(cccc2Cl)s1 ZINC000096343531 210097054 /nfs/dbraw/zinc/09/70/54/210097054.db2.gz MEIZQZZEDORMJF-CZUORRHYSA-N 1 0 362.926 4.549 50 0 FJAARO CCOC1=C(C[NH+]2CCCCC2)[C@@H](Cc2ccccc2)Oc2ccccc21 ZINC000005243287 210082662 /nfs/dbraw/zinc/08/26/62/210082662.db2.gz OJAORRJPDLYGDB-HSZRJFAPSA-N 1 0 363.501 4.924 50 0 FJAARO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(-c3ccccc3Cl)c1)C2 ZINC000299783792 210026432 /nfs/dbraw/zinc/02/64/32/210026432.db2.gz VDKVKYOMSAXSFR-JOCHJYFZSA-N 1 0 368.908 4.565 50 0 FJAARO C[C@H](C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000000757439 203948036 /nfs/dbraw/zinc/94/80/36/203948036.db2.gz SZWMKEAQKQRUKY-MRXNPFEDSA-N 1 0 374.322 4.536 50 0 FJAARO O=C(c1ccc(Br)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000002514505 204042569 /nfs/dbraw/zinc/04/25/69/204042569.db2.gz OXJYMLITXZYWHU-UHFFFAOYSA-N 1 0 358.279 4.666 50 0 FJAARO CC[NH+](CC)CCOc1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000002364972 204035021 /nfs/dbraw/zinc/03/50/21/204035021.db2.gz RPQLMMPFJFWEEW-UHFFFAOYSA-N 1 0 361.445 4.764 50 0 FJAARO CC1CC[NH+](CCCCOc2ccc(Cl)cc2Br)CC1 ZINC000002956241 204069946 /nfs/dbraw/zinc/06/99/46/204069946.db2.gz JYXWYVUOZQMKBO-UHFFFAOYSA-N 1 0 360.723 4.993 50 0 FJAARO C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003206349 204081822 /nfs/dbraw/zinc/08/18/22/204081822.db2.gz WGTOLGDFKAMFSC-DYVFJYSZSA-N 1 0 363.914 4.749 50 0 FJAARO Cc1ccc(NC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)cc1 ZINC000003315977 204090210 /nfs/dbraw/zinc/09/02/10/204090210.db2.gz QVBPZUSHHLJHAG-UHFFFAOYSA-N 1 0 365.521 4.810 50 0 FJAARO CCc1ccccc1NC(=S)N(CC[NH+]1CCCCC1)Cc1ccco1 ZINC000003665554 204110766 /nfs/dbraw/zinc/11/07/66/204110766.db2.gz DLUPMZZQKRUYPB-UHFFFAOYSA-N 1 0 371.550 4.527 50 0 FJAARO CCOc1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(C(=O)OC)cc1)=[N+]2C ZINC000004200115 204127399 /nfs/dbraw/zinc/12/73/99/204127399.db2.gz TYPFFVHKDOVMLF-NTEUORMPSA-N 1 0 364.465 4.591 50 0 FJAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccc(Cl)cc1 ZINC000004622056 204150189 /nfs/dbraw/zinc/15/01/89/204150189.db2.gz LRSFFDRYGFKPIL-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO Fc1ccccc1C[NH+]1CCC(Nc2ccc(Br)cc2)CC1 ZINC000004749424 204161924 /nfs/dbraw/zinc/16/19/24/204161924.db2.gz MNVWCKIFIDHMOJ-UHFFFAOYSA-N 1 0 363.274 4.665 50 0 FJAARO COc1ccccc1C1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000004336820 204133548 /nfs/dbraw/zinc/13/35/48/204133548.db2.gz FBTRBFATHSFUEO-UHFFFAOYSA-N 1 0 359.897 4.997 50 0 FJAARO C[C@@](O)(C[NH2+]Cc1ccc(Cl)cc1)CSc1ccc(Cl)cc1 ZINC000004390028 204137271 /nfs/dbraw/zinc/13/72/71/204137271.db2.gz SLHLAAYFZWQFFJ-QGZVFWFLSA-N 1 0 356.318 4.626 50 0 FJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C(C)C)cc2)N3)C1 ZINC000004556418 204146763 /nfs/dbraw/zinc/14/67/63/204146763.db2.gz CWQPYXVLBNMCBP-SFHVURJKSA-N 1 0 355.507 4.678 50 0 FJAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1cccc(Cl)c1 ZINC000004942820 204178924 /nfs/dbraw/zinc/17/89/24/204178924.db2.gz RDWCXQVYOUKBOI-UHFFFAOYSA-N 1 0 357.837 4.810 50 0 FJAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004990197 204183064 /nfs/dbraw/zinc/18/30/64/204183064.db2.gz JPSXRMCIHYDRCI-QGZVFWFLSA-N 1 0 373.880 4.907 50 0 FJAARO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc(Cl)nc1 ZINC000005272463 204200683 /nfs/dbraw/zinc/20/06/83/204200683.db2.gz SYVLLAJNSBURQV-UHFFFAOYSA-N 1 0 360.885 4.745 50 0 FJAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2cccnc2)o1 ZINC000006715836 204261920 /nfs/dbraw/zinc/26/19/20/204261920.db2.gz WRZDXLFQXKWNEJ-UHFFFAOYSA-N 1 0 357.251 4.702 50 0 FJAARO Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000006725021 204262833 /nfs/dbraw/zinc/26/28/33/204262833.db2.gz SQBIWQXZWMPRCU-HOIFWPIMSA-N 1 0 350.506 4.961 50 0 FJAARO Cc1ccc(-c2c[nH+]c(NCc3cc(Br)ccc3F)n2C)cc1 ZINC000006721487 204263409 /nfs/dbraw/zinc/26/34/09/204263409.db2.gz UNKDWAKERIFMQM-UHFFFAOYSA-N 1 0 374.257 4.909 50 0 FJAARO CCOc1ccc([C@@](O)(CC)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811649 204273726 /nfs/dbraw/zinc/27/37/26/204273726.db2.gz KFUOXOPBNFCSNE-PKTZIBPZSA-N 1 0 353.506 4.563 50 0 FJAARO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OC ZINC000008253586 204324169 /nfs/dbraw/zinc/32/41/69/204324169.db2.gz NRPLTNRZAHDHDO-UHFFFAOYSA-N 1 0 356.304 4.669 50 0 FJAARO C[NH+](C)CCCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008373848 204328974 /nfs/dbraw/zinc/32/89/74/204328974.db2.gz ZSQAZMRTVKEDOB-UHFFFAOYSA-N 1 0 367.320 4.614 50 0 FJAARO C[NH2+]CCCNCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000008376923 204329009 /nfs/dbraw/zinc/32/90/09/204329009.db2.gz DLLQXHXNBUYZKP-UHFFFAOYSA-N 1 0 368.908 4.771 50 0 FJAARO COc1ccc(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000007538406 204300640 /nfs/dbraw/zinc/30/06/40/204300640.db2.gz DWGIFGOUAPDLIP-UHFFFAOYSA-N 1 0 351.421 4.703 50 0 FJAARO Cc1ccc(OCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000008991333 204351763 /nfs/dbraw/zinc/35/17/63/204351763.db2.gz AQZHPKWANABPHZ-UHFFFAOYSA-N 1 0 352.503 4.863 50 0 FJAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3cccc(SC)c3)c2C)cc1 ZINC000011842738 204417661 /nfs/dbraw/zinc/41/76/61/204417661.db2.gz PGKGNPCOSAZLMJ-HNNXBMFYSA-N 1 0 367.518 4.762 50 0 FJAARO Cc1ccc(C)c(NC(=S)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000036847591 204394364 /nfs/dbraw/zinc/39/43/64/204394364.db2.gz VAAMLANBCAGQSR-UHFFFAOYSA-N 1 0 355.551 4.630 50 0 FJAARO CCOc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccccc1F ZINC000010435994 204395745 /nfs/dbraw/zinc/39/57/45/204395745.db2.gz XDNZXWZUWQDDCY-UHFFFAOYSA-N 1 0 351.849 4.955 50 0 FJAARO Fc1ccc(-c2nc3cc4c(cc3cc2C[NH2+]C2CCCC2)OCO4)cc1 ZINC000012151960 204436621 /nfs/dbraw/zinc/43/66/21/204436621.db2.gz LVFKGNSDVRNZFP-UHFFFAOYSA-N 1 0 364.420 4.802 50 0 FJAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000014185815 204572527 /nfs/dbraw/zinc/57/25/27/204572527.db2.gz ZJROEYHAVZJOSM-UHFFFAOYSA-N 1 0 365.304 4.765 50 0 FJAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)o1 ZINC000058477575 212012278 /nfs/dbraw/zinc/01/22/78/212012278.db2.gz MVRUMBCOHQCCEC-QGZVFWFLSA-N 1 0 373.403 4.747 50 0 FJAARO O=C(Cc1ccc(Cl)cc1)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000021170930 204749300 /nfs/dbraw/zinc/74/93/00/204749300.db2.gz IWEQQRVVKDUTFQ-HXUWFJFHSA-N 1 0 362.945 4.530 50 0 FJAARO [NH3+][C@H](Cc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000033414785 204969784 /nfs/dbraw/zinc/96/97/84/204969784.db2.gz DMXMANDNPIEVFL-FQEVSTJZSA-N 1 0 353.358 4.865 50 0 FJAARO Cc1cc(NC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1Cl ZINC000013114545 220057995 /nfs/dbraw/zinc/05/79/95/220057995.db2.gz IGVVJHXJCOQOJF-IYBDPMFKSA-N 1 0 372.896 4.510 50 0 FJAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COc2ccccc2C)c1 ZINC000036100742 205004603 /nfs/dbraw/zinc/00/46/03/205004603.db2.gz SXFVQSFXJHGPCT-QFIPXVFZSA-N 1 0 355.522 4.591 50 0 FJAARO CC(C)[N@@H+](Cc1ccccc1Cl)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036102031 205004955 /nfs/dbraw/zinc/00/49/55/205004955.db2.gz RJBQOBDLUGMNRM-QGZVFWFLSA-N 1 0 368.304 4.644 50 0 FJAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COc2ccccc2C)c1 ZINC000036100745 205005966 /nfs/dbraw/zinc/00/59/66/205005966.db2.gz SXFVQSFXJHGPCT-JOCHJYFZSA-N 1 0 355.522 4.591 50 0 FJAARO CC(C)C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037560751 205028796 /nfs/dbraw/zinc/02/87/96/205028796.db2.gz BHRQIFJCFQEQAE-UHFFFAOYSA-N 1 0 372.459 4.618 50 0 FJAARO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000038851054 205043593 /nfs/dbraw/zinc/04/35/93/205043593.db2.gz OVTQLZCFGUDKEQ-UHFFFAOYSA-N 1 0 362.448 4.830 50 0 FJAARO CCOCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl ZINC000040731992 205079216 /nfs/dbraw/zinc/07/92/16/205079216.db2.gz SNDKBCMNDJIPFW-UHFFFAOYSA-N 1 0 351.849 4.574 50 0 FJAARO Fc1cccc(Cl)c1COc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000040722904 205079262 /nfs/dbraw/zinc/07/92/62/205079262.db2.gz XXDRNKAVKYOJRU-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO COc1cccc(C[NH2+]CCc2ccccc2)c1OCc1ccccc1C ZINC000040722303 205079399 /nfs/dbraw/zinc/07/93/99/205079399.db2.gz AULXZPLKFXPTKA-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743202 205080361 /nfs/dbraw/zinc/08/03/61/205080361.db2.gz CLZZZZHZQMFSCU-INIZCTEOSA-N 1 0 372.267 4.572 50 0 FJAARO Brc1ccc(OCC[C@H]2CCC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042770682 205098125 /nfs/dbraw/zinc/09/81/25/205098125.db2.gz NGFAJPROYIRCDE-OAHLLOKOSA-N 1 0 360.295 4.885 50 0 FJAARO CCC(C)(C)c1ccc(OCCC2CC[NH2+]CC2)c(Br)c1 ZINC000042770977 205098162 /nfs/dbraw/zinc/09/81/62/205098162.db2.gz MBQACVJKQOUPFG-UHFFFAOYSA-N 1 0 354.332 4.905 50 0 FJAARO Brc1cc(Cc2ccccc2)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042770229 205098232 /nfs/dbraw/zinc/09/82/32/205098232.db2.gz QMKNLDRPIASSGQ-QGZVFWFLSA-N 1 0 374.322 4.808 50 0 FJAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCCn1ccnc1 ZINC000040719829 205076618 /nfs/dbraw/zinc/07/66/18/205076618.db2.gz HJGGPHAIMJTBND-UHFFFAOYSA-N 1 0 369.896 4.604 50 0 FJAARO CCCOc1c(C[NH2+]CCc2ccc(F)cc2)cc(Cl)cc1OC ZINC000040722197 205076666 /nfs/dbraw/zinc/07/66/66/205076666.db2.gz LUEKXZRSELUSFH-UHFFFAOYSA-N 1 0 351.849 4.609 50 0 FJAARO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1ccccc1C ZINC000040720644 205076760 /nfs/dbraw/zinc/07/67/60/205076760.db2.gz CFXDYJSEMQVXPO-NRFANRHFSA-N 1 0 372.940 4.801 50 0 FJAARO COc1cc(Br)cc(C[NH2+]C2CCCCC2)c1OC(C)C ZINC000040728443 205078464 /nfs/dbraw/zinc/07/84/64/205078464.db2.gz NTQRXIISQSXHCH-UHFFFAOYSA-N 1 0 356.304 4.667 50 0 FJAARO CCOCCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000040722877 205078672 /nfs/dbraw/zinc/07/86/72/205078672.db2.gz MDRZTLKLEYNVIH-UHFFFAOYSA-N 1 0 351.849 4.574 50 0 FJAARO CCOC(=O)CCCCCCC(=O)c1ccccc1C[NH+]1CCCCC1 ZINC000043211552 205103162 /nfs/dbraw/zinc/10/31/62/205103162.db2.gz SBXMTKVGZWOAND-UHFFFAOYSA-N 1 0 359.510 4.759 50 0 FJAARO COCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000013722639 220089692 /nfs/dbraw/zinc/08/96/92/220089692.db2.gz FSQDSBDXQMFVCY-UHFFFAOYSA-N 1 0 354.277 4.699 50 0 FJAARO COc1ccccc1[C@H](CNc1nc2ccccc2s1)[NH+]1CCCC1 ZINC000048362055 205161714 /nfs/dbraw/zinc/16/17/14/205161714.db2.gz YYEATJYYWUVKOR-KRWDZBQOSA-N 1 0 353.491 4.554 50 0 FJAARO COc1cc(C[NH2+]Cc2cccnc2Oc2ccccc2C)ccc1F ZINC000055099666 205207117 /nfs/dbraw/zinc/20/71/17/205207117.db2.gz DGRMRWWNOKLDLG-UHFFFAOYSA-N 1 0 352.409 4.620 50 0 FJAARO COc1ccccc1CCC(=O)Nc1ccc2c(c1)C[N@H+]([C@H](C)C(C)C)C2 ZINC000058315643 205269461 /nfs/dbraw/zinc/26/94/61/205269461.db2.gz DONKJQOEADUFDO-QGZVFWFLSA-N 1 0 366.505 4.627 50 0 FJAARO CCCC[N@@H+]1Cc2cccc(NC(=O)N(C)CCCc3ccccc3)c2C1 ZINC000058325880 205271548 /nfs/dbraw/zinc/27/15/48/205271548.db2.gz GBTVFOQJXINEMS-UHFFFAOYSA-N 1 0 365.521 4.899 50 0 FJAARO COc1ccccc1/C=C/C[N@@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065431002 205350299 /nfs/dbraw/zinc/35/02/99/205350299.db2.gz HIANYMFZNLSGLJ-LHXJMTLCSA-N 1 0 371.484 4.655 50 0 FJAARO OCc1ccc(-c2cc([C@H]3CC[N@H+](C/C=C/c4ccccc4)C3)ccn2)cc1 ZINC000065490138 205353658 /nfs/dbraw/zinc/35/36/58/205353658.db2.gz MJVMMDGPFQLEAY-BSBODGDASA-N 1 0 370.496 4.744 50 0 FJAARO COc1cccc(OC)c1-c1cc([C@@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000065407982 205347930 /nfs/dbraw/zinc/34/79/30/205347930.db2.gz RETQEINSBYXJOP-LJQANCHMSA-N 1 0 366.505 4.745 50 0 FJAARO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1OC ZINC000015836961 220168295 /nfs/dbraw/zinc/16/82/95/220168295.db2.gz NHOBITROWPWUTE-FQEVSTJZSA-N 1 0 355.478 4.830 50 0 FJAARO CC(C)(C)OC(=O)N(Cc1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000040449817 211745511 /nfs/dbraw/zinc/74/55/11/211745511.db2.gz UWSUXCWPSHDJRF-NRFANRHFSA-N 1 0 366.505 4.843 50 0 FJAARO Cc1cccc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@H]3C)CC2)c1C ZINC000003058558 206156967 /nfs/dbraw/zinc/15/69/67/206156967.db2.gz DTKDTQHJIMFVFK-UTKZUKDTSA-N 1 0 373.610 4.975 50 0 FJAARO Cc1cc(Cl)c(OCCC[NH2+]Cc2ccccc2)c(Br)c1 ZINC000002821794 206157007 /nfs/dbraw/zinc/15/70/07/206157007.db2.gz XETJGRBNXWEFOH-UHFFFAOYSA-N 1 0 368.702 4.970 50 0 FJAARO Cc1cccc(C)c1NC(=S)N1CCC([N@@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000003058563 206157677 /nfs/dbraw/zinc/15/76/77/206157677.db2.gz RYBGAQLHHAIQKB-OXQOHEQNSA-N 1 0 373.610 4.975 50 0 FJAARO O=C(Nc1ccc(Cl)c(Cl)c1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004029814 206165480 /nfs/dbraw/zinc/16/54/80/206165480.db2.gz PAORRCPMNVMKQF-BLLLJJGKSA-N 1 0 357.281 4.806 50 0 FJAARO CC[NH+](CC)CCN(C(=O)C1CCCCC1)c1nc2ccccc2s1 ZINC000004585312 206179131 /nfs/dbraw/zinc/17/91/31/206179131.db2.gz XKYPXMQSIBMGPS-UHFFFAOYSA-N 1 0 359.539 4.551 50 0 FJAARO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc2ccccc21 ZINC000008036494 206215098 /nfs/dbraw/zinc/21/50/98/206215098.db2.gz SNEQVOUZAUUSLD-UHFFFAOYSA-N 1 0 350.487 4.632 50 0 FJAARO CCCCCC[NH2+]Cc1cc(Br)c(OCCC)c(OC)c1 ZINC000020932838 206346207 /nfs/dbraw/zinc/34/62/07/206346207.db2.gz ABZIXLUIMRJMGB-UHFFFAOYSA-N 1 0 358.320 4.916 50 0 FJAARO CC(C)[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057529535 206385572 /nfs/dbraw/zinc/38/55/72/206385572.db2.gz LKOPIZBVRYUGLP-UXHICEINSA-N 1 0 356.897 4.647 50 0 FJAARO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)ccc1OCc1c(C)noc1C ZINC000022773733 206391372 /nfs/dbraw/zinc/39/13/72/206391372.db2.gz ZIKMGVKDGDHWAM-AUUYWEPGSA-N 1 0 358.482 4.547 50 0 FJAARO CCN(CC)CC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248274470 206571853 /nfs/dbraw/zinc/57/18/53/206571853.db2.gz XSKYMNZATUOGEF-UHFFFAOYSA-N 1 0 369.940 4.774 50 0 FJAARO Fc1ccccc1-c1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)o1 ZINC000022935284 211370579 /nfs/dbraw/zinc/37/05/79/211370579.db2.gz VGCUQQDPHMDYCV-LJQANCHMSA-N 1 0 354.425 4.605 50 0 FJAARO CCCCN(C)c1nc(SC)ncc1C[NH2+][C@H](C)CCCC(C)C ZINC000022317136 211346262 /nfs/dbraw/zinc/34/62/62/211346262.db2.gz MXRZGOKYYHSUDX-MRXNPFEDSA-N 1 0 352.592 4.739 50 0 FJAARO CCCOc1cccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)c1 ZINC000021170913 211309336 /nfs/dbraw/zinc/30/93/36/211309336.db2.gz WNFUIMFKTAFMHP-NRFANRHFSA-N 1 0 372.553 4.736 50 0 FJAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000021720027 211323294 /nfs/dbraw/zinc/32/32/94/211323294.db2.gz PUUGHWNISNBGSP-LJQANCHMSA-N 1 0 350.466 4.635 50 0 FJAARO COc1ccc([C@@](O)(CC(C)C)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000021169937 211308761 /nfs/dbraw/zinc/30/87/61/211308761.db2.gz DIYLIMPGTSFMFT-RPWUZVMVSA-N 1 0 367.533 4.809 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)cc1 ZINC000020205272 211274013 /nfs/dbraw/zinc/27/40/13/211274013.db2.gz IOMXYWZPNVIDCH-INIZCTEOSA-N 1 0 371.406 4.874 50 0 FJAARO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)o1 ZINC000019635468 211243275 /nfs/dbraw/zinc/24/32/75/211243275.db2.gz NSXNENILHXSPOC-KRWDZBQOSA-N 1 0 374.912 4.550 50 0 FJAARO CCCCCCOc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019634945 211242113 /nfs/dbraw/zinc/24/21/13/211242113.db2.gz SHGDXYQJQIQFQD-UHFFFAOYSA-N 1 0 366.549 4.964 50 0 FJAARO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000014250042 211089012 /nfs/dbraw/zinc/08/90/12/211089012.db2.gz NXQYFKLRLXZYEK-CQSZACIVSA-N 1 0 350.384 4.612 50 0 FJAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccccc2F)cc1 ZINC000013786935 211059113 /nfs/dbraw/zinc/05/91/13/211059113.db2.gz WGYUNJBUDLXZGQ-MDNUFGMLSA-N 1 0 369.480 4.703 50 0 FJAARO CC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730674 211054350 /nfs/dbraw/zinc/05/43/50/211054350.db2.gz FDGJNKJAAPRIBH-UHFFFAOYSA-N 1 0 359.061 4.581 50 0 FJAARO CCOc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccc(C)cc1 ZINC000013722029 211052550 /nfs/dbraw/zinc/05/25/50/211052550.db2.gz WXGFYXUNHBJUKE-UHFFFAOYSA-N 1 0 371.521 4.877 50 0 FJAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccccc1OC ZINC000013719086 211051906 /nfs/dbraw/zinc/05/19/06/211051906.db2.gz HSYLBOMJTAXQHL-UHFFFAOYSA-N 1 0 354.277 4.733 50 0 FJAARO C[N@@H+]1C[C@H](C(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000013142197 211026965 /nfs/dbraw/zinc/02/69/65/211026965.db2.gz AHZUCLYTAPMAGO-SJORKVTESA-N 1 0 367.798 4.887 50 0 FJAARO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3ccccc3C)ccc2c1 ZINC000012992654 211017635 /nfs/dbraw/zinc/01/76/35/211017635.db2.gz OMWCBVVMQGPNTL-KRWDZBQOSA-N 1 0 362.473 4.616 50 0 FJAARO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000012992689 211017171 /nfs/dbraw/zinc/01/71/71/211017171.db2.gz YETOIUREXXRDSP-SJORKVTESA-N 1 0 364.464 4.677 50 0 FJAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C)cccc2C)cc1 ZINC000012987346 211015107 /nfs/dbraw/zinc/01/51/07/211015107.db2.gz NIYSMEOVXITJQH-OAQYLSRUSA-N 1 0 366.505 4.868 50 0 FJAARO Cc1cccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000012872318 211002660 /nfs/dbraw/zinc/00/26/60/211002660.db2.gz BPAOQYLTOUXPAL-IBGZPJMESA-N 1 0 357.885 4.607 50 0 FJAARO COc1cc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc(OC)c1OC ZINC000006746209 210695305 /nfs/dbraw/zinc/69/53/05/210695305.db2.gz MVECHRPJOUWIRV-UHFFFAOYSA-N 1 0 364.445 4.883 50 0 FJAARO Brc1ccc(/C=C/c2cc[n+](Cc3ccccc3)cc2)cc1 ZINC000002771201 210421317 /nfs/dbraw/zinc/42/13/17/210421317.db2.gz YBSBRTBEDGFWLK-VOTSOKGWSA-N 1 0 351.267 4.955 50 0 FJAARO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)ccc1OCc1c(C)noc1C ZINC000022773723 220399075 /nfs/dbraw/zinc/39/90/75/220399075.db2.gz ZIKMGVKDGDHWAM-IFXJQAMLSA-N 1 0 358.482 4.547 50 0 FJAARO CC(C)c1cc(C[N@@H+]2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)on1 ZINC000065527440 221230965 /nfs/dbraw/zinc/23/09/65/221230965.db2.gz WBYNRZBJVMMNSP-GOSISDBHSA-N 1 0 363.461 4.555 50 0 FJAARO Oc1cc(-c2cccc3c2Oc2ccccc2S3)cc2c1OCC[NH2+]C2 ZINC000067934210 221305229 /nfs/dbraw/zinc/30/52/29/221305229.db2.gz OEZWJKXQFXIDQU-UHFFFAOYSA-N 1 0 363.438 4.798 50 0 FJAARO Fc1ccccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)s1 ZINC000071798162 221377233 /nfs/dbraw/zinc/37/72/33/221377233.db2.gz RXQYZQUKWDWLHR-UHFFFAOYSA-N 1 0 355.434 4.615 50 0 FJAARO C[C@@H](CCc1ccccc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004981333 132825805 /nfs/dbraw/zinc/82/58/05/132825805.db2.gz DTIZNRFBKSXDAV-KRWDZBQOSA-N 1 0 362.439 4.849 50 0 FJAARO COC[C@@H]1CC[N@@H+](C2CCN(c3cccc(-c4ccc(C)cc4)c3)CC2)C1 ZINC000023379769 136152691 /nfs/dbraw/zinc/15/26/91/136152691.db2.gz GHRGNTGXQQNEJW-HXUWFJFHSA-N 1 0 364.533 4.599 50 0 FJAARO CSc1cccc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+](C)C)c1 ZINC000075487786 221582414 /nfs/dbraw/zinc/58/24/14/221582414.db2.gz ZVUZHHVOSGWHLI-UHFFFAOYSA-N 1 0 359.520 4.574 50 0 FJAARO O=C(/C=C\c1cccc2ccccc12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096936759 222143648 /nfs/dbraw/zinc/14/36/48/222143648.db2.gz PGPZSUNSXIHQNW-YPKPFQOOSA-N 1 0 370.496 4.634 50 0 FJAARO CC1(C(=O)Nc2ccc(OC(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000097109044 222159822 /nfs/dbraw/zinc/15/98/22/222159822.db2.gz OHOHBVAJKPVBFX-UHFFFAOYSA-N 1 0 374.431 4.529 50 0 FJAARO Cc1ccc(COc2ccc(C[NH2+]CCCOc3ccccn3)cc2)cc1 ZINC000113396948 222493724 /nfs/dbraw/zinc/49/37/24/222493724.db2.gz SFVRZQJKHOFEGW-UHFFFAOYSA-N 1 0 362.473 4.528 50 0 FJAARO COc1ccc(C(=O)Nc2sc(C)c(C)c2C[NH+]2CCCCC2)cc1 ZINC000005611998 263342485 /nfs/dbraw/zinc/34/24/85/263342485.db2.gz AMRMXJKXVMJVNB-UHFFFAOYSA-N 1 0 358.507 4.612 50 0 FJAARO CCOc1cc(C[NH2+]C)cc(Cl)c1OCc1c(F)cccc1Cl ZINC000019777608 263376728 /nfs/dbraw/zinc/37/67/28/263376728.db2.gz BDGPLWNASZZNKC-UHFFFAOYSA-N 1 0 358.240 4.830 50 0 FJAARO COc1ccccc1-c1ccc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)nn1 ZINC000426399197 263576306 /nfs/dbraw/zinc/57/63/06/263576306.db2.gz KBTJFGKASZBYBR-KRWDZBQOSA-N 1 0 359.473 4.976 50 0 FJAARO O[C@H](C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000247737586 518203635 /nfs/dbraw/zinc/20/36/35/518203635.db2.gz LXTJTDXLWWMNEX-XMMPIXPASA-N 1 0 356.469 4.513 50 0 FJAARO CCN(C(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)c1ccccc1 ZINC000089969508 520038805 /nfs/dbraw/zinc/03/88/05/520038805.db2.gz JULUHDCHCDJRIQ-SFHVURJKSA-N 1 0 373.500 4.699 50 0 FJAARO CCCOc1c(Cl)cc(C[NH2+]CCc2ccccc2F)cc1OC ZINC000020931543 520297537 /nfs/dbraw/zinc/29/75/37/520297537.db2.gz DXTKYMRKKOLVSB-UHFFFAOYSA-N 1 0 351.849 4.609 50 0 FJAARO CC[NH+]1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1 ZINC000000597434 521696727 /nfs/dbraw/zinc/69/67/27/521696727.db2.gz XVGOZDAJGBALKS-UHFFFAOYSA-N 1 0 367.512 4.689 50 0 world FJAARO C[C@@H]1CCC[C@H]([NH2+][C@H]2C3=C(CCCC3)C(=O)N2Cc2ccccc2)[C@H]1C ZINC000245253913 524411910 /nfs/dbraw/zinc/41/19/10/524411910.db2.gz RROFHMUQHXNYJT-XKPGHWPRSA-N 1 0 352.522 4.640 50 0 FJAARO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000239433542 525714317 /nfs/dbraw/zinc/71/43/17/525714317.db2.gz XXNRZZXPXAFYRJ-NTMFSWBNSA-N 1 0 357.497 5.328 50 0 FJAARO COc1cccc(C[NH2+]CCc2ccccc2)c1OCc1ccc(C)cc1 ZINC000020873938 526015649 /nfs/dbraw/zinc/01/56/49/526015649.db2.gz BEZSYBFRAYWJAB-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000247964744 526213351 /nfs/dbraw/zinc/21/33/51/526213351.db2.gz GYKROQWGSBMGEA-IFMALSPDSA-N 1 0 362.517 4.741 50 0 FJAARO Clc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1Cl ZINC000239275112 526945517 /nfs/dbraw/zinc/94/55/17/526945517.db2.gz BEZVXVHCCOVMBX-VQTJNVASSA-N 1 0 367.364 5.222 50 0 FJAARO O[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1 ZINC000020476835 527653462 /nfs/dbraw/zinc/65/34/62/527653462.db2.gz RRYFSAQYPWNXIQ-NRFANRHFSA-N 1 0 367.876 4.742 50 0 FJAARO Cc1oc2cc(OCC[NH+]3CCCCC3)ccc2c(=O)c1-c1ccccc1 ZINC000006764483 568044636 /nfs/dbraw/zinc/04/46/36/568044636.db2.gz WLYWDNGEULSBAS-UHFFFAOYSA-N 1 0 363.457 4.633 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)c(F)c1 ZINC000216169961 568109618 /nfs/dbraw/zinc/10/96/18/568109618.db2.gz XIOQELYSBBYAKV-CVEARBPZSA-N 1 0 357.448 4.891 50 0 FJAARO CCOC(=O)C(=C(C)[NH2+]N(Cc1ccccc1)c1ccccc1)C(C)C ZINC000012346543 568286766 /nfs/dbraw/zinc/28/67/66/568286766.db2.gz JAZLHHOTRRVPCS-UZYVYHOESA-N 1 0 352.478 4.691 50 0 FJAARO CCc1ccc(Cl)c(CC)c1NC(=O)CN(C)Cc1ccsc1 ZINC000011438551 570448576 /nfs/dbraw/zinc/44/85/76/570448576.db2.gz GPHLEMMLMWTZBU-UHFFFAOYSA-N 1 0 350.915 4.597 50 0 FJAARO Cc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](CC(C)C)CC2)c1 ZINC000034683026 570532317 /nfs/dbraw/zinc/53/23/17/570532317.db2.gz XNGBFDOJRMCDGX-UHFFFAOYSA-N 1 0 350.506 4.762 50 0 FJAARO CC[N@@H+]1CCC[C@@H](OC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)C1 ZINC000004863300 570552726 /nfs/dbraw/zinc/55/27/26/570552726.db2.gz ORONCDNHWTZLKC-LJQANCHMSA-N 1 0 374.484 4.851 50 0 FJAARO FC(F)(F)c1cc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)ccc1Cl ZINC000007986238 570563737 /nfs/dbraw/zinc/56/37/37/570563737.db2.gz QKVBNLVRZOTSQC-LBPRGKRZSA-N 1 0 359.775 4.887 50 0 FJAARO CCCC[N@H+](Cc1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000004022119 570573083 /nfs/dbraw/zinc/57/30/83/570573083.db2.gz IYINIJNBCAQUCX-UHFFFAOYSA-N 1 0 350.550 4.996 50 0 FJAARO COc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1ccccc1 ZINC000004413536 570590187 /nfs/dbraw/zinc/59/01/87/570590187.db2.gz MMVNGNGRPJXNCF-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO C[N@H+](CCCNC(=O)Cc1ccc(-c2ccccc2)cc1)Cc1ccccc1 ZINC000004667898 570600324 /nfs/dbraw/zinc/60/03/24/570600324.db2.gz WJKGRJHFJWPCIU-UHFFFAOYSA-N 1 0 372.512 4.534 50 0 FJAARO COc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](CC(C)C)C2 ZINC000012001560 570603972 /nfs/dbraw/zinc/60/39/72/570603972.db2.gz RJTUPWARCSPHQG-UHFFFAOYSA-N 1 0 368.502 4.822 50 0 FJAARO CC[N@H+](C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000005073580 570620896 /nfs/dbraw/zinc/62/08/96/570620896.db2.gz QPLCNJXQNMFSGK-OCKRMRLHSA-N 1 0 363.586 4.625 50 0 FJAARO Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c(C(C)C)cc1Cl ZINC000252438308 570621808 /nfs/dbraw/zinc/62/18/08/570621808.db2.gz WBUQDBZWBIJYKV-WVSUBDOOSA-N 1 0 367.961 4.926 50 0 FJAARO CC[C@H](C)C(=O)OC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000252669062 570625080 /nfs/dbraw/zinc/62/50/80/570625080.db2.gz GJJKYTBLENQIRA-QRTARXTBSA-N 1 0 357.416 4.678 50 0 FJAARO C[N@@H+]1C[C@@H](C(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000005525656 570629496 /nfs/dbraw/zinc/62/94/96/570629496.db2.gz AHZUCLYTAPMAGO-IAGOWNOFSA-N 1 0 367.798 4.887 50 0 FJAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccccc1Cl ZINC000007523591 570665290 /nfs/dbraw/zinc/66/52/90/570665290.db2.gz QAQBAEYAESZNHQ-UHFFFAOYSA-N 1 0 357.837 4.810 50 0 FJAARO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCCc1ccccc1 ZINC000007540240 570666349 /nfs/dbraw/zinc/66/63/49/570666349.db2.gz KHWOLVUULXNTQM-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008325904 570680221 /nfs/dbraw/zinc/68/02/21/570680221.db2.gz ZLIVIUPUXLYVDY-CYBMUJFWSA-N 1 0 351.849 4.955 50 0 FJAARO CCOc1c(C[NH2+][C@@H](C)c2ccccc2)cc(Br)cc1OC ZINC000010473876 570701325 /nfs/dbraw/zinc/70/13/25/570701325.db2.gz HUEQFQABOOYJNP-ZDUSSCGKSA-N 1 0 364.283 4.707 50 0 FJAARO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000011775560 570706713 /nfs/dbraw/zinc/70/67/13/570706713.db2.gz NNYWPYSVAVCMFN-LJQANCHMSA-N 1 0 352.453 4.553 50 0 FJAARO CC(C)C[NH2+]Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000011786680 570706764 /nfs/dbraw/zinc/70/67/64/570706764.db2.gz QPEUCWVIXAHFMF-UHFFFAOYSA-N 1 0 352.409 4.515 50 0 FJAARO c1coc(-c2cccc(C[NH2+][C@H]3CCCc4c3cnn4-c3ccccn3)c2)c1 ZINC000011820545 570708217 /nfs/dbraw/zinc/70/82/17/570708217.db2.gz JYQKDFURTAJORW-FQEVSTJZSA-N 1 0 370.456 4.695 50 0 FJAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3ccc(Cl)s3)c2C)cc1 ZINC000011818313 570708375 /nfs/dbraw/zinc/70/83/75/570708375.db2.gz BIVFAUWOAWZPEA-LBPRGKRZSA-N 1 0 361.898 4.755 50 0 FJAARO O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000011822098 570708824 /nfs/dbraw/zinc/70/88/24/570708824.db2.gz UQUDEUNKROZSIO-FQEVSTJZSA-N 1 0 372.468 4.969 50 0 FJAARO CC(=O)c1cccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1 ZINC000011879803 570710864 /nfs/dbraw/zinc/71/08/64/570710864.db2.gz SUQWRZDCSHBFGR-HSZRJFAPSA-N 1 0 373.500 4.859 50 0 FJAARO Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCn3cccn3)c(C)o2)s1 ZINC000012030420 570714642 /nfs/dbraw/zinc/71/46/42/570714642.db2.gz PLJUETWQQISXPN-KRWDZBQOSA-N 1 0 370.522 4.661 50 0 FJAARO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000012090590 570718170 /nfs/dbraw/zinc/71/81/70/570718170.db2.gz QJGNPEYLTKTDEP-LJQANCHMSA-N 1 0 367.464 4.566 50 0 FJAARO OCC1(Cc2ccccc2)CC[NH+](Cc2ccccc2-c2ccco2)CC1 ZINC000012202393 570727187 /nfs/dbraw/zinc/72/71/87/570727187.db2.gz BLFVNYFVNXYUHI-UHFFFAOYSA-N 1 0 361.485 4.764 50 0 FJAARO O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CC[NH+](CC2CC2)CC1 ZINC000012297419 570732730 /nfs/dbraw/zinc/73/27/30/570732730.db2.gz ISBHDZPKFRHGPP-UHFFFAOYSA-N 1 0 373.500 4.895 50 0 FJAARO CC(C)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000012317914 570736214 /nfs/dbraw/zinc/73/62/14/570736214.db2.gz UKRXLKSGUJDVER-OAQYLSRUSA-N 1 0 367.493 4.713 50 0 FJAARO COCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)o1 ZINC000012373741 570740051 /nfs/dbraw/zinc/74/00/51/570740051.db2.gz DLROLLGNAWCZEA-GOSISDBHSA-N 1 0 369.505 4.818 50 0 FJAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012437716 570745166 /nfs/dbraw/zinc/74/51/66/570745166.db2.gz HBJGKNBCHGRSOA-IBGZPJMESA-N 1 0 364.876 4.983 50 0 FJAARO CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccnc2)cc1 ZINC000012447888 570746671 /nfs/dbraw/zinc/74/66/71/570746671.db2.gz BMRORUHUCQOEFF-NRFANRHFSA-N 1 0 360.505 4.732 50 0 FJAARO CCOc1ccccc1C[NH2+][C@@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000012457953 570747627 /nfs/dbraw/zinc/74/76/27/570747627.db2.gz LHOJMTGIJDZYIT-HNNXBMFYSA-N 1 0 353.441 4.569 50 0 FJAARO Fc1ccccc1-n1ncc2c1CCC[C@@H]2[NH2+]Cc1cc2ccccc2[nH]1 ZINC000012578686 570751399 /nfs/dbraw/zinc/75/13/99/570751399.db2.gz WPLDTUOIIKEORV-FQEVSTJZSA-N 1 0 360.436 4.660 50 0 FJAARO CCOc1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 ZINC000012575455 570751439 /nfs/dbraw/zinc/75/14/39/570751439.db2.gz VRCVATNTWXYAJU-HNNXBMFYSA-N 1 0 353.441 4.569 50 0 FJAARO CSc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012585842 570751903 /nfs/dbraw/zinc/75/19/03/570751903.db2.gz AHHMNXZXPKAOPN-MRXNPFEDSA-N 1 0 361.555 4.717 50 0 FJAARO CC(C)c1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012812626 570764312 /nfs/dbraw/zinc/76/43/12/570764312.db2.gz ZBTGKYKDWWHYQJ-HNNXBMFYSA-N 1 0 365.926 4.588 50 0 FJAARO C[NH+](C)[C@H](CNC(=O)c1sccc1-c1ccccc1)c1cccc(F)c1 ZINC000032729660 570785234 /nfs/dbraw/zinc/78/52/34/570785234.db2.gz SVZLADIVKNZKAZ-LJQANCHMSA-N 1 0 368.477 4.587 50 0 FJAARO COCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013722404 570786818 /nfs/dbraw/zinc/78/68/18/570786818.db2.gz HKELLVVSGXRXGG-UHFFFAOYSA-N 1 0 354.277 4.699 50 0 FJAARO CC(C)[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730760 570788219 /nfs/dbraw/zinc/78/82/19/570788219.db2.gz WKLGKEGQXZCSFL-UHFFFAOYSA-N 1 0 373.088 4.970 50 0 FJAARO CC(C)COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000014109985 570806133 /nfs/dbraw/zinc/80/61/33/570806133.db2.gz IPGKDALWWNVBIX-UHFFFAOYSA-N 1 0 352.478 4.570 50 0 FJAARO COC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000014971869 570827405 /nfs/dbraw/zinc/82/74/05/570827405.db2.gz SQDLJSKLJASTPU-MRXNPFEDSA-N 1 0 368.399 4.670 50 0 FJAARO CSc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000015581996 570840652 /nfs/dbraw/zinc/84/06/52/570840652.db2.gz PBRPPEQMBRFTOU-UHFFFAOYSA-N 1 0 351.519 4.560 50 0 FJAARO CC(=O)c1ccc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)s1 ZINC000032903625 570842232 /nfs/dbraw/zinc/84/22/32/570842232.db2.gz JKSXBZOFDNCNQM-UHFFFAOYSA-N 1 0 370.518 4.968 50 0 FJAARO O[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000016477499 570857092 /nfs/dbraw/zinc/85/70/92/570857092.db2.gz JBZYEXFQESNUTN-QFIPXVFZSA-N 1 0 367.876 4.742 50 0 FJAARO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCO1 ZINC000016525890 570858131 /nfs/dbraw/zinc/85/81/31/570858131.db2.gz ZRYYUAGCPAFJSE-LJQANCHMSA-N 1 0 365.448 4.827 50 0 FJAARO Cc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019770344 570902197 /nfs/dbraw/zinc/90/21/97/570902197.db2.gz DLFJEYJDKJLRAF-UHFFFAOYSA-N 1 0 356.469 4.806 50 0 FJAARO C[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019796018 570903205 /nfs/dbraw/zinc/90/32/05/570903205.db2.gz WIKYUJGCLQQFNW-UHFFFAOYSA-N 1 0 373.953 4.580 50 0 fda FJAARO CC[N+]1=C(/C=C/c2ccc(OC)cc2)C(C)(C)c2ccc(C(=O)OC)cc21 ZINC000020070412 570909332 /nfs/dbraw/zinc/90/93/32/570909332.db2.gz SDIVNSJBSOMZBB-NTEUORMPSA-N 1 0 364.465 4.591 50 0 FJAARO CC[NH+](CC)CCSc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cn1 ZINC000021663596 570932438 /nfs/dbraw/zinc/93/24/38/570932438.db2.gz HAQQGJZUWBPOGC-UHFFFAOYSA-N 1 0 371.550 4.891 50 0 FJAARO c1ccc(CN2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022027645 570937793 /nfs/dbraw/zinc/93/77/93/570937793.db2.gz LVQPLFYSJDDVEO-UHFFFAOYSA-N 1 0 356.513 4.636 50 0 FJAARO CCC[N@H+](CCO)Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000022077747 570939074 /nfs/dbraw/zinc/93/90/74/570939074.db2.gz ODTQFXWYQKRFDZ-UHFFFAOYSA-N 1 0 353.462 4.621 50 0 FJAARO CCOc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OCC ZINC000022074654 570939279 /nfs/dbraw/zinc/93/92/79/570939279.db2.gz FRZKKVZWGZPTOR-UHFFFAOYSA-N 1 0 351.849 4.609 50 0 FJAARO O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000048324868 570946193 /nfs/dbraw/zinc/94/61/93/570946193.db2.gz FENQYTGYXJBMOT-KRWDZBQOSA-N 1 0 373.566 4.813 50 0 FJAARO COc1ccc(Nc2ncc(C[NH2+][C@H]3CCc4ccccc43)s2)cc1 ZINC000023429535 570963710 /nfs/dbraw/zinc/96/37/10/570963710.db2.gz MFBVMEIYOQAHNR-IBGZPJMESA-N 1 0 351.475 4.672 50 0 FJAARO CC[NH+](CC)Cc1cccc(NC(=O)CCSc2ccc(OC)cc2)c1 ZINC000024926888 570986218 /nfs/dbraw/zinc/98/62/18/570986218.db2.gz HIQAGMYCGXKGAI-UHFFFAOYSA-N 1 0 372.534 4.658 50 0 FJAARO Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000027583896 571015043 /nfs/dbraw/zinc/01/50/43/571015043.db2.gz JEFDCOXIQSFCML-FQEVSTJZSA-N 1 0 356.897 4.605 50 0 FJAARO Cc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027584323 571015562 /nfs/dbraw/zinc/01/55/62/571015562.db2.gz KOCLJQIQFGYLMB-JOCHJYFZSA-N 1 0 350.506 4.651 50 0 FJAARO Cc1ccc([C@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCCCC2)cc1 ZINC000027584318 571015625 /nfs/dbraw/zinc/01/56/25/571015625.db2.gz VEVXNJDDKILSHU-QFIPXVFZSA-N 1 0 350.506 4.651 50 0 FJAARO Cc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027584329 571015644 /nfs/dbraw/zinc/01/56/44/571015644.db2.gz KOCLJQIQFGYLMB-QFIPXVFZSA-N 1 0 350.506 4.651 50 0 FJAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCCCC2)cc1 ZINC000027664372 571018198 /nfs/dbraw/zinc/01/81/98/571018198.db2.gz BMWCPJIFBKYYCD-OAQYLSRUSA-N 1 0 370.924 4.996 50 0 FJAARO Cc1ccccc1C(OC[C@H](O)C[N@H+]1CCCC[C@H]1C)c1ccccc1C ZINC000028221123 571028430 /nfs/dbraw/zinc/02/84/30/571028430.db2.gz QHNFFQDJTAIQCO-NHCUHLMSSA-N 1 0 367.533 4.645 50 0 FJAARO C[N@H+](C[C@@H](O)c1ccccc1F)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000028914437 571035463 /nfs/dbraw/zinc/03/54/63/571035463.db2.gz DKCBNRHIQRQBQK-YADHBBJMSA-N 1 0 353.412 4.720 50 0 FJAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cc(Br)cs2)cc1 ZINC000030641127 571048448 /nfs/dbraw/zinc/04/84/48/571048448.db2.gz RHKLRSPLSCNVFX-NSHDSACASA-N 1 0 367.312 4.710 50 0 FJAARO CC(C)(C)c1cc(Cl)ccc1OCCOCC[NH2+]Cc1ccccc1 ZINC000008750554 571059355 /nfs/dbraw/zinc/05/93/55/571059355.db2.gz HKEIBSTWAAOEJQ-UHFFFAOYSA-N 1 0 361.913 4.823 50 0 FJAARO CC(C)CC[NH2+][C@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 ZINC000039143244 571060196 /nfs/dbraw/zinc/06/01/96/571060196.db2.gz AYVXWNDWJXSNJK-XMSQKQJNSA-N 1 0 350.506 4.798 50 0 FJAARO CC[C@@](C)(NCc1c(C)nn(-c2ccccc2)c1Cl)c1nccs1 ZINC000072305189 571060535 /nfs/dbraw/zinc/06/05/35/571060535.db2.gz ZAMAXPIWTYONNC-GOSISDBHSA-N 1 0 360.914 4.706 50 0 FJAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)s2)cc(OC)c1O ZINC000033087143 571062049 /nfs/dbraw/zinc/06/20/49/571062049.db2.gz NSCBILRHIRXZRL-INIZCTEOSA-N 1 0 361.507 4.897 50 0 FJAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2sccc2C)cc(OC)c1O ZINC000033087140 571062088 /nfs/dbraw/zinc/06/20/88/571062088.db2.gz HHKJOAVKCILZFL-MRXNPFEDSA-N 1 0 361.507 4.897 50 0 FJAARO Cc1cc2c(cc1C)[C@H](N(Cc1nnc(C(C)C)o1)C1CC1)CCCO2 ZINC000072309435 571067809 /nfs/dbraw/zinc/06/78/09/571067809.db2.gz JOUOFEMHCFAGNJ-GOSISDBHSA-N 1 0 355.482 4.688 50 0 FJAARO O=C(CSCc1cccs1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000040089045 571074314 /nfs/dbraw/zinc/07/43/14/571074314.db2.gz BFNJEMWVQFZPRO-UHFFFAOYSA-N 1 0 360.548 4.606 50 0 FJAARO COc1ccc(-c2nnc(C[N@H+](Cc3ccccc3)[C@H](C)C3CC3)o2)cc1 ZINC000040120225 571080558 /nfs/dbraw/zinc/08/05/58/571080558.db2.gz ZDVZAHGOPDFEDQ-MRXNPFEDSA-N 1 0 363.461 4.546 50 0 FJAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)c(C)cc23)cc1 ZINC000012764896 571084043 /nfs/dbraw/zinc/08/40/43/571084043.db2.gz QWPXRTCBLHXPEF-NRFANRHFSA-N 1 0 363.457 4.756 50 0 FJAARO O[C@@H](C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1 ZINC000040721318 571092866 /nfs/dbraw/zinc/09/28/66/571092866.db2.gz LWKUHFMZUDJSLP-SFHVURJKSA-N 1 0 361.363 4.789 50 0 FJAARO CCCCC[NH2+]Cc1cc(Br)c(OC(C)C)c(OCC)c1 ZINC000040729040 571093578 /nfs/dbraw/zinc/09/35/78/571093578.db2.gz JXBJAZCBYIIHGN-UHFFFAOYSA-N 1 0 358.320 4.915 50 0 FJAARO CCOc1cc(C[NH2+]C2CCCC2)cc(Br)c1OC(C)C ZINC000040729010 571093611 /nfs/dbraw/zinc/09/36/11/571093611.db2.gz CRXASWVBHZBQCY-UHFFFAOYSA-N 1 0 356.304 4.667 50 0 FJAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000040729844 571093943 /nfs/dbraw/zinc/09/39/43/571093943.db2.gz IJNIOHWRYXHBNQ-KRWDZBQOSA-N 1 0 354.277 4.604 50 0 FJAARO COc1ccccc1CC[NH2+]Cc1ccccc1OCc1cccc(C)c1 ZINC000040731496 571094057 /nfs/dbraw/zinc/09/40/57/571094057.db2.gz LUBOXKTZRXSFJM-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2C)cc1 ZINC000040731622 571094344 /nfs/dbraw/zinc/09/43/44/571094344.db2.gz FCEHYDJOZIEFLL-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO COCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732508 571094385 /nfs/dbraw/zinc/09/43/85/571094385.db2.gz KWUPETCQDNCDAX-UHFFFAOYSA-N 1 0 354.277 4.699 50 0 FJAARO O[C@@H](C[NH2+]Cc1ccccc1OCc1cccc(Cl)c1)c1ccccc1 ZINC000040732638 571094557 /nfs/dbraw/zinc/09/45/57/571094557.db2.gz ODNFJVXYCXOBTB-NRFANRHFSA-N 1 0 367.876 4.742 50 0 FJAARO COc1ccccc1CC[NH2+]Cc1cccc(OCc2ccccc2C)c1 ZINC000040738355 571095150 /nfs/dbraw/zinc/09/51/50/571095150.db2.gz DFTZRUJVVVEHBK-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO Brc1cc(Cc2ccccc2)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042770233 571098661 /nfs/dbraw/zinc/09/86/61/571098661.db2.gz SOMBPLAULBZBHS-SFHVURJKSA-N 1 0 374.322 4.951 50 0 FJAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(F)cc1 ZINC000044934144 571105150 /nfs/dbraw/zinc/10/51/50/571105150.db2.gz JJFXLXMOQRMJPS-OAHLLOKOSA-N 1 0 374.887 4.569 50 0 FJAARO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2)c1 ZINC000033040086 571114876 /nfs/dbraw/zinc/11/48/76/571114876.db2.gz DFSUTMWSMXJEAI-JKSUJKDBSA-N 1 0 360.457 4.720 50 0 FJAARO CCC[N@H+](Cc1ccc(SC)cc1)Cc1cnc(-c2ccccn2)nc1 ZINC000055393744 571120234 /nfs/dbraw/zinc/12/02/34/571120234.db2.gz YHNLYSKKJVHBRY-UHFFFAOYSA-N 1 0 364.518 4.673 50 0 FJAARO OCCCCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000247793856 571125902 /nfs/dbraw/zinc/12/59/02/571125902.db2.gz PVVVPZZTUCJJQJ-UHFFFAOYSA-N 1 0 356.897 4.595 50 0 FJAARO Fc1ccc(N2CC[C@H](C[NH2+]Cc3csc4ccccc34)C2)cc1F ZINC000071832877 571126808 /nfs/dbraw/zinc/12/68/08/571126808.db2.gz YXPHJCYIBDJPFO-CQSZACIVSA-N 1 0 358.457 4.796 50 0 FJAARO Cc1ccc(Cn2cc(C[NH2+]CCCOC(C)C)c3ccccc32)cc1 ZINC000248116006 571127725 /nfs/dbraw/zinc/12/77/25/571127725.db2.gz SMSPBIZKXZIRJK-UHFFFAOYSA-N 1 0 350.506 4.903 50 0 FJAARO CCN1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248162244 571128237 /nfs/dbraw/zinc/12/82/37/571128237.db2.gz PMHZGLPRVJLXRI-JOCHJYFZSA-N 1 0 361.533 4.572 50 0 FJAARO CCN1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248162248 571128375 /nfs/dbraw/zinc/12/83/75/571128375.db2.gz PMHZGLPRVJLXRI-QFIPXVFZSA-N 1 0 361.533 4.572 50 0 FJAARO CCCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248266628 571128644 /nfs/dbraw/zinc/12/86/44/571128644.db2.gz YCPAOBDGFZZZBT-UHFFFAOYSA-N 1 0 354.885 4.537 50 0 FJAARO CC(C)(C)[NH2+]Cc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000248238894 571128805 /nfs/dbraw/zinc/12/88/05/571128805.db2.gz NRJOPHHEIWUVAF-UHFFFAOYSA-N 1 0 372.875 4.674 50 0 FJAARO C[C@@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000058412180 571132532 /nfs/dbraw/zinc/13/25/32/571132532.db2.gz ANYCCRJFUFUCQP-LJQANCHMSA-N 1 0 350.506 4.797 50 0 FJAARO c1n(Cc2ccccc2)c2ccccc2[n+]1COCCCc1ccccc1 ZINC000252489147 571132716 /nfs/dbraw/zinc/13/27/16/571132716.db2.gz JHUHWJCMCSSAED-UHFFFAOYSA-N 1 0 357.477 4.584 50 0 FJAARO C[C@@H](C[N@H+](C)CCc1ccccc1)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000100817610 571133614 /nfs/dbraw/zinc/13/36/14/571133614.db2.gz IRQLUPGLMPPWEH-BKMJKUGQSA-N 1 0 373.540 4.928 50 0 FJAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000015836965 571134770 /nfs/dbraw/zinc/13/47/70/571134770.db2.gz BUEABJZDCDWRHY-HXUWFJFHSA-N 1 0 355.478 4.828 50 0 FJAARO CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862288 571138595 /nfs/dbraw/zinc/13/85/95/571138595.db2.gz YWBWMTXZQXLQHI-UHFFFAOYSA-N 1 0 354.881 4.902 50 0 FJAARO CN(C)C(=S)C1=NN(c2ccccc2)S2=C1C=C(C(C)(C)C)S2 ZINC000005481391 571140701 /nfs/dbraw/zinc/14/07/01/571140701.db2.gz HDCBLCANTXQAAG-UHFFFAOYSA-N 1 0 363.577 4.700 50 0 FJAARO OCc1ccc(C[N@@H+]2CC[C@@H](c3ccnc(-c4cc5ccccc5o4)c3)C2)o1 ZINC000065374393 571142093 /nfs/dbraw/zinc/14/20/93/571142093.db2.gz VYJJYBNKAXWMSF-GOSISDBHSA-N 1 0 374.440 4.570 50 0 FJAARO CN(C)CC[NH2+]CC[C@@](C)(c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000096693164 571146053 /nfs/dbraw/zinc/14/60/53/571146053.db2.gz DIQQAAZOAHNOAD-GOSISDBHSA-N 1 0 370.484 4.614 50 0 FJAARO O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000004673433 571157203 /nfs/dbraw/zinc/15/72/03/571157203.db2.gz RKHIVZHOQCRVEA-XMMPIXPASA-N 1 0 370.496 4.729 50 0 FJAARO CCCC[N@H+](CC)Cc1ccc(CNC(=O)Nc2ccc(OCC)cc2)o1 ZINC000004712512 571168073 /nfs/dbraw/zinc/16/80/73/571168073.db2.gz RULYXMFBONQHIG-UHFFFAOYSA-N 1 0 373.497 4.622 50 0 FJAARO COc1cc(C[NH2+][C@H](C)c2cccnc2)ccc1OCc1ccc(F)cc1 ZINC000012543700 571177884 /nfs/dbraw/zinc/17/78/84/571177884.db2.gz MLNUKKUIIRLGGH-MRXNPFEDSA-N 1 0 366.436 4.659 50 0 FJAARO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000229797654 571178382 /nfs/dbraw/zinc/17/83/82/571178382.db2.gz CGFWEOJYWXJTOX-WMLDXEAASA-N 1 0 369.415 4.955 50 0 FJAARO Cc1cc2[nH]c(C(=O)Nc3ccccc3F)c(C[NH+]3CCCC3)c2s1 ZINC000075487639 571190545 /nfs/dbraw/zinc/19/05/45/571190545.db2.gz CISCLFFDJBDYLM-UHFFFAOYSA-N 1 0 357.454 4.525 50 0 FJAARO Cc1cc2[nH]c(C(=O)Nc3cc(C)ccc3Cl)c(C[NH+](C)C)c2s1 ZINC000075487798 571190578 /nfs/dbraw/zinc/19/05/78/571190578.db2.gz FSKRIVNNKFVAQZ-UHFFFAOYSA-N 1 0 361.898 4.814 50 0 FJAARO C[S@](=O)c1ccc(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)cc1 ZINC000091377282 571192974 /nfs/dbraw/zinc/19/29/74/571192974.db2.gz OPZPPYUQQSQXAT-FDDCHVKYSA-N 1 0 368.329 4.972 50 0 FJAARO C[S@@](=O)c1ccc(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)cc1 ZINC000091377279 571193046 /nfs/dbraw/zinc/19/30/46/571193046.db2.gz OPZPPYUQQSQXAT-JPYJTQIMSA-N 1 0 368.329 4.972 50 0 FJAARO CSc1cccc(NC(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)c1 ZINC000299772993 571196252 /nfs/dbraw/zinc/19/62/52/571196252.db2.gz BLSXBSKDRXJZPL-UHFFFAOYSA-N 1 0 369.534 4.668 50 0 FJAARO CN1C[C@@]2(CC[N@H+](Cc3cccc(-c4ccc5ccccc5c4)c3)C2)OC1=O ZINC000072481351 571200085 /nfs/dbraw/zinc/20/00/85/571200085.db2.gz HIDSPSQWOLXJFH-XMMPIXPASA-N 1 0 372.468 4.533 50 0 FJAARO C[NH+](C)C1(CNc2cc(C(F)(F)F)nc3ccccc32)CCCCC1 ZINC000089313967 571201077 /nfs/dbraw/zinc/20/10/77/571201077.db2.gz FKDIUOMYUWGFIZ-UHFFFAOYSA-N 1 0 351.416 4.930 50 0 FJAARO C[C@@H]([NH2+]C1(CNCc2cnc(C3CC3)s2)CCCC1)c1ccccc1 ZINC000097015939 571201738 /nfs/dbraw/zinc/20/17/38/571201738.db2.gz DVRNCKAHCAFCGG-MRXNPFEDSA-N 1 0 355.551 4.774 50 0 FJAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000075448597 571203189 /nfs/dbraw/zinc/20/31/89/571203189.db2.gz ZPZSLWRUMSUWCW-LJQANCHMSA-N 1 0 366.465 4.534 50 0 FJAARO c1ccc(C[NH2+]CC[C@@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000001833887 571203793 /nfs/dbraw/zinc/20/37/93/571203793.db2.gz DAQYQXCZLPUQGW-QFIPXVFZSA-N 1 0 359.469 4.922 50 0 FJAARO c1csc(CC[C@H]2CCCC[N@@H+]2Cc2cc(-c3ccccn3)no2)c1 ZINC000077341744 571208097 /nfs/dbraw/zinc/20/80/97/571208097.db2.gz JANCJAJJZWEDQL-MRXNPFEDSA-N 1 0 353.491 4.785 50 0 FJAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)cc1 ZINC000077485594 571213141 /nfs/dbraw/zinc/21/31/41/571213141.db2.gz NEASZBCMAPYENE-JOCHJYFZSA-N 1 0 361.489 4.597 50 0 FJAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)cc1 ZINC000077556480 571215354 /nfs/dbraw/zinc/21/53/54/571215354.db2.gz FEXDZPDCRFWILT-QFIPXVFZSA-N 1 0 361.489 4.597 50 0 FJAARO O[C@H](C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccc2cc[nH]c2c1 ZINC000033313924 571233004 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O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000007696785 571285917 /nfs/dbraw/zinc/28/59/17/571285917.db2.gz PFAGHQULQCCMBI-UHFFFAOYSA-N 1 0 358.485 4.756 50 0 FJAARO Cc1ccc(C(=O)NC2CCCCC2)c(C2CC[NH+](CCC(C)C)CC2)n1 ZINC000037554382 571287844 /nfs/dbraw/zinc/28/78/44/571287844.db2.gz LINKAGJMXYGHMU-UHFFFAOYSA-N 1 0 371.569 4.678 50 0 FJAARO CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037560625 571288008 /nfs/dbraw/zinc/28/80/08/571288008.db2.gz LDMDOYNWLBVXSM-UHFFFAOYSA-N 1 0 368.496 4.869 50 0 FJAARO C[C@@H](c1nnc(-c2cccs2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000007781816 571288818 /nfs/dbraw/zinc/28/88/18/571288818.db2.gz JVQGHCYJHVQPTJ-HNNXBMFYSA-N 1 0 353.491 4.814 50 0 FJAARO Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c(C)c1 ZINC000007922288 571294355 /nfs/dbraw/zinc/29/43/55/571294355.db2.gz LSFIEFQUMBEJGN-INIZCTEOSA-N 1 0 367.518 4.853 50 0 FJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3cc(C)cc(C)c3)CC2)c1 ZINC000013363855 571323299 /nfs/dbraw/zinc/32/32/99/571323299.db2.gz KXUYZTOWRQJQAL-UHFFFAOYSA-N 1 0 365.521 4.646 50 0 FJAARO C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1nc(C(C)(C)C)cs1 ZINC000095422094 571329480 /nfs/dbraw/zinc/32/94/80/571329480.db2.gz PTHJUCNHWFUTHB-BQFCYCMXSA-N 1 0 357.567 4.927 50 0 FJAARO CCc1cc(C(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)sc1C ZINC000095458125 571330146 /nfs/dbraw/zinc/33/01/46/571330146.db2.gz UAMCOLVRQNFTCW-UHFFFAOYSA-N 1 0 362.583 4.593 50 0 FJAARO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)cc1Br)c1ccncc1 ZINC000095971805 571333240 /nfs/dbraw/zinc/33/32/40/571333240.db2.gz KFIOAVAOSBSMFM-MRXNPFEDSA-N 1 0 353.691 4.984 50 0 FJAARO Clc1cccc(C[NH+]2CCC(c3nnc(-c4ccsc4)o3)CC2)c1 ZINC000096024370 571334020 /nfs/dbraw/zinc/33/40/20/571334020.db2.gz KURRDCFFDCKGGE-UHFFFAOYSA-N 1 0 359.882 4.831 50 0 FJAARO CCCSc1ccccc1N1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000096026741 571334079 /nfs/dbraw/zinc/33/40/79/571334079.db2.gz CNSQEJKRNADLNI-UHFFFAOYSA-N 1 0 370.562 4.562 50 0 FJAARO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)s2)cc1OC ZINC000096998240 571336577 /nfs/dbraw/zinc/33/65/77/571336577.db2.gz GTDJOTPHDJQGIW-UHFFFAOYSA-N 1 0 357.450 4.861 50 0 FJAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCCc2nc3ccccc3s2)C1 ZINC000097013860 571336624 /nfs/dbraw/zinc/33/66/24/571336624.db2.gz URMDPOGBOZJLMH-MJGOQNOKSA-N 1 0 365.546 4.654 50 0 FJAARO FC(F)Oc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1 ZINC000002921909 571341781 /nfs/dbraw/zinc/34/17/81/571341781.db2.gz TUJIHUJMGIGMNX-UHFFFAOYSA-N 1 0 359.421 4.529 50 0 FJAARO CC(=O)c1oc2ccccc2c1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000057335971 571342562 /nfs/dbraw/zinc/34/25/62/571342562.db2.gz LUWWMTIBKCXSNZ-FQEVSTJZSA-N 1 0 364.445 4.561 50 0 FJAARO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2cccs2)c2ccccc2)c1 ZINC000057508890 571343925 /nfs/dbraw/zinc/34/39/25/571343925.db2.gz MCSDSTUYZNWAHN-OXQOHEQNSA-N 1 0 350.487 4.763 50 0 FJAARO Cc1c(Cl)cccc1NC(=S)N1CCC([N@H+](C)C2CCCC2)CC1 ZINC000003058384 571344420 /nfs/dbraw/zinc/34/44/20/571344420.db2.gz HJVAFMUDKHQBND-UHFFFAOYSA-N 1 0 365.974 4.684 50 0 FJAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2C)CC1 ZINC000003060239 571344493 /nfs/dbraw/zinc/34/44/93/571344493.db2.gz VTVHIZHHHJLBBK-ZDUSSCGKSA-N 1 0 353.963 4.540 50 0 FJAARO C[N@H+](C[C@@H](O)COc1ccc2oc3ccccc3c2c1)C1CCCCC1 ZINC000003305291 571346975 /nfs/dbraw/zinc/34/69/75/571346975.db2.gz LRNXSFRHSVLSPN-QGZVFWFLSA-N 1 0 353.462 4.590 50 0 FJAARO CCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000003456601 571350039 /nfs/dbraw/zinc/35/00/39/571350039.db2.gz HCVHDHGQTGLQIV-QFIPXVFZSA-N 1 0 369.549 4.944 50 0 FJAARO COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3cccc(OC)c3)c(C)c2c1 ZINC000670452588 571353058 /nfs/dbraw/zinc/35/30/58/571353058.db2.gz RSQOLDMWFFREFS-JOCHJYFZSA-N 1 0 350.462 4.831 50 0 FJAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ccnc2ccccc21 ZINC000670452715 571353135 /nfs/dbraw/zinc/35/31/35/571353135.db2.gz ZDYFMXOXOYVPHX-QHCPKHFHSA-N 1 0 373.500 4.582 50 0 FJAARO C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000008126476 571359143 /nfs/dbraw/zinc/35/91/43/571359143.db2.gz QIWHYQZOGCWXNY-GOSISDBHSA-N 1 0 363.288 4.941 50 0 FJAARO CC(C)COc1ccc([C@@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000753523 210267141 /nfs/dbraw/zinc/26/71/41/210267141.db2.gz YCJYBYTUTWAFAD-XZOQPEGZSA-N 1 0 353.506 4.634 50 0 FJAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2cccc(Cl)c2s1 ZINC000096343523 210096912 /nfs/dbraw/zinc/09/69/12/210096912.db2.gz ZBHRYYRXRLYTQJ-GDBMZVCRSA-N 1 0 362.926 4.549 50 0 FJAARO CC(C)COc1ccc(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001245233 219392529 /nfs/dbraw/zinc/39/25/29/219392529.db2.gz ULUIIUNAFOLEOS-QFIPXVFZSA-N 1 0 351.490 4.784 50 0 FJAARO COc1ccc(CCNC(=[NH2+])[C@@H](C)c2ccc(C(C)C)cc2)cc1OC ZINC000001322659 219395392 /nfs/dbraw/zinc/39/53/92/219395392.db2.gz UFRHOSKAFOVMIR-INIZCTEOSA-N 1 0 354.494 4.740 50 0 FJAARO COc1cc(C[NH2+]C(C)C)cc(Br)c1OCc1ccccc1 ZINC000010435821 219902763 /nfs/dbraw/zinc/90/27/63/219902763.db2.gz LAYZEGLEWVMKTN-UHFFFAOYSA-N 1 0 364.283 4.535 50 0 FJAARO O[C@H](c1ccc(Br)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000001241348 203996590 /nfs/dbraw/zinc/99/65/90/203996590.db2.gz QRMKWWYZRHOYBC-VQTJNVASSA-N 1 0 374.322 4.752 50 0 FJAARO CCCCOc1ccc([C@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001829742 204020810 /nfs/dbraw/zinc/02/08/10/204020810.db2.gz BHWJEAFQJWQLOS-PKTZIBPZSA-N 1 0 353.506 4.779 50 0 FJAARO CC(C)c1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2cccnc2)cc1 ZINC000002934068 204069019 /nfs/dbraw/zinc/06/90/19/204069019.db2.gz IDZIWQDDENBGDY-QGZVFWFLSA-N 1 0 370.566 4.527 50 0 FJAARO Cc1cccc(NC(=S)NCC[N@H+](C2CCCC2)C2CCCCC2)c1 ZINC000003055033 204077132 /nfs/dbraw/zinc/07/71/32/204077132.db2.gz RZRDGLIUVFCRMT-UHFFFAOYSA-N 1 0 359.583 4.859 50 0 FJAARO Cc1ccccc1NC(=S)N(CCC[NH+]1CCCC1)Cc1cccs1 ZINC000003662227 204111047 /nfs/dbraw/zinc/11/10/47/204111047.db2.gz AGAMPDNVFQXXLN-UHFFFAOYSA-N 1 0 373.591 4.741 50 0 FJAARO CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1cccs1 ZINC000003905159 204114664 /nfs/dbraw/zinc/11/46/64/204114664.db2.gz AYTJXAGPYRAKAF-UHFFFAOYSA-N 1 0 354.313 4.978 50 0 FJAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2ccc(C)c(Cl)c2)CC1 ZINC000003588662 204107626 /nfs/dbraw/zinc/10/76/26/204107626.db2.gz UNRFHESMPDUDLC-UHFFFAOYSA-N 1 0 353.963 4.542 50 0 FJAARO CC(C)(CO)[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000004657409 204152555 /nfs/dbraw/zinc/15/25/55/204152555.db2.gz MRTKDWYSODMECP-UHFFFAOYSA-N 1 0 369.892 4.933 50 0 FJAARO CC(C)[NH+](C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl)C(C)C ZINC000004819287 204166875 /nfs/dbraw/zinc/16/68/75/204166875.db2.gz KGZUHHYGUUKOAA-GFCCVEGCSA-N 1 0 354.705 4.505 50 0 FJAARO CC(C)[NH+](C[C@H](O)COc1c(Cl)cc(Cl)cc1Cl)C(C)C ZINC000004819286 204167300 /nfs/dbraw/zinc/16/73/00/204167300.db2.gz KGZUHHYGUUKOAA-LBPRGKRZSA-N 1 0 354.705 4.505 50 0 FJAARO CCOc1ccccc1/C=C/C1=[N+](C)c2ccc(C(=O)OC)cc2C1(C)C ZINC000004313483 204133209 /nfs/dbraw/zinc/13/32/09/204133209.db2.gz HZRKKHJJUVDWDG-WYMLVPIESA-N 1 0 364.465 4.591 50 0 FJAARO COCCC[N@H+](Cc1cccn1Cc1ccccc1)Cc1ccc(C)cc1 ZINC000004407850 204138246 /nfs/dbraw/zinc/13/82/46/204138246.db2.gz UEXFLOJSFFLEJM-UHFFFAOYSA-N 1 0 362.517 4.884 50 0 FJAARO COc1ccc(C[NH2+]Cc2ccccc2OCc2ccc(F)cc2)cc1 ZINC000004870053 204171884 /nfs/dbraw/zinc/17/18/84/204171884.db2.gz JKNFRRKJPONVJV-UHFFFAOYSA-N 1 0 351.421 4.703 50 0 FJAARO CCCCC[NH+](CCCCC)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1=O ZINC000004889360 204173789 /nfs/dbraw/zinc/17/37/89/204173789.db2.gz OJQWSCCGISNPFM-FQEVSTJZSA-N 1 0 358.526 4.563 50 0 FJAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004990198 204183050 /nfs/dbraw/zinc/18/30/50/204183050.db2.gz JPSXRMCIHYDRCI-KRWDZBQOSA-N 1 0 373.880 4.907 50 0 FJAARO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000005048850 204188174 /nfs/dbraw/zinc/18/81/74/204188174.db2.gz LBEWSFNIOHWDPK-SFHVURJKSA-N 1 0 373.500 4.506 50 0 FJAARO CCCC[NH+](CCCC)CCNC(=O)c1csc2c1CCCCC2 ZINC000005070476 204190380 /nfs/dbraw/zinc/19/03/80/204190380.db2.gz VDRNHTAXXHXKQM-UHFFFAOYSA-N 1 0 350.572 4.649 50 0 FJAARO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000005155761 204194882 /nfs/dbraw/zinc/19/48/82/204194882.db2.gz UVOCKBWJADXADZ-ZLNRFVROSA-N 1 0 369.480 4.703 50 0 FJAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000006962308 204284174 /nfs/dbraw/zinc/28/41/74/204284174.db2.gz GYKROQWGSBMGEA-UNMCSNQZSA-N 1 0 362.517 4.741 50 0 FJAARO Cc1c2ccc3ccccc3c2oc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000007437438 204298332 /nfs/dbraw/zinc/29/83/32/204298332.db2.gz IGRKSOATHVFYHO-UHFFFAOYSA-N 1 0 372.468 4.886 50 0 FJAARO Cc1c(Cl)cccc1NC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000006877200 204278576 /nfs/dbraw/zinc/27/85/76/204278576.db2.gz OXHNESCEVDKGRE-UHFFFAOYSA-N 1 0 363.933 4.624 50 0 FJAARO Cc1ccc(Cl)cc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000006877349 204278693 /nfs/dbraw/zinc/27/86/93/204278693.db2.gz YAVVGCXVXXHFSF-UHFFFAOYSA-N 1 0 363.933 4.768 50 0 FJAARO CCOCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000008395595 204329714 /nfs/dbraw/zinc/32/97/14/204329714.db2.gz CLFCCNLLBSCUOZ-UHFFFAOYSA-N 1 0 369.896 4.709 50 0 FJAARO COc1cccc(C[NH2+]Cc2ccccc2)c1OCc1ccccc1F ZINC000008495694 204332544 /nfs/dbraw/zinc/33/25/44/204332544.db2.gz GRCIPSMFCWNLJO-UHFFFAOYSA-N 1 0 351.421 4.703 50 0 FJAARO COc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)cc1 ZINC000007538410 204300764 /nfs/dbraw/zinc/30/07/64/204300764.db2.gz UWUNOQWWHMIZIR-UHFFFAOYSA-N 1 0 351.421 4.703 50 0 FJAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1-c1ccccc1 ZINC000009991476 204388422 /nfs/dbraw/zinc/38/84/22/204388422.db2.gz DUOOVJNPTYGQHC-UHFFFAOYSA-N 1 0 370.496 4.879 50 0 FJAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000010332813 204394986 /nfs/dbraw/zinc/39/49/86/204394986.db2.gz FCOCKRHKFINGLA-UHFFFAOYSA-N 1 0 358.869 4.587 50 0 FJAARO COc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000012242013 204445764 /nfs/dbraw/zinc/44/57/64/204445764.db2.gz MCQHEUJBXLBVFE-UHFFFAOYSA-N 1 0 361.489 4.773 50 0 FJAARO Cc1c([C@@H](C)[NH2+]Cc2cc(C)ccc2-n2cccn2)cnn1-c1ccccc1 ZINC000012718132 220020673 /nfs/dbraw/zinc/02/06/73/220020673.db2.gz UQMCKPLIGNKXGU-GOSISDBHSA-N 1 0 371.488 4.526 50 0 FJAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3ccc(Cl)c(F)c3)c2C)cc1 ZINC000012710383 220019192 /nfs/dbraw/zinc/01/91/92/220019192.db2.gz VJYFVQUSOZCRPV-CYBMUJFWSA-N 1 0 373.859 4.833 50 0 FJAARO CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012710015 220019663 /nfs/dbraw/zinc/01/96/63/220019663.db2.gz XZRYNCQVXBPIBX-IBGZPJMESA-N 1 0 361.489 4.894 50 0 FJAARO Cc1ccc(C)c(NC(=O)N2CCC(C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000021718141 204759206 /nfs/dbraw/zinc/75/92/06/204759206.db2.gz ZQQUTVRSOCIZIK-ROUUACIJSA-N 1 0 357.542 4.525 50 0 FJAARO Cc1nc(-c2cccc(N3CCC([NH2+]CCc4ccco4)CC3)c2)cs1 ZINC000023368872 204804022 /nfs/dbraw/zinc/80/40/22/204804022.db2.gz HLIFRRJILQGHRQ-UHFFFAOYSA-N 1 0 367.518 4.513 50 0 FJAARO FC(F)(F)c1cccc(CSc2ccccc2C2=[NH+]CCCN2)c1 ZINC000036047499 205002351 /nfs/dbraw/zinc/00/23/51/205002351.db2.gz BIUCIEWLBJGAHA-UHFFFAOYSA-N 1 0 350.409 4.738 50 0 FJAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COc2ccc(Cl)cc2)o1 ZINC000036031576 205002588 /nfs/dbraw/zinc/00/25/88/205002588.db2.gz CDXGWJZUHUICOM-GOSISDBHSA-N 1 0 365.901 4.529 50 0 FJAARO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036098785 205006069 /nfs/dbraw/zinc/00/60/69/205006069.db2.gz IBJNXAISHPAMLM-XLIONFOSSA-N 1 0 361.913 4.689 50 0 FJAARO Cc1ccc(-c2csc3[nH]c(C[N@@H+](C)C4CCCCC4)nc(=O)c23)cc1 ZINC000036203810 205007353 /nfs/dbraw/zinc/00/73/53/205007353.db2.gz OJXDASDPZMQGDL-UHFFFAOYSA-N 1 0 367.518 4.725 50 0 FJAARO CC(C)CC[NH2+][C@@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 ZINC000039143243 205044938 /nfs/dbraw/zinc/04/49/38/205044938.db2.gz AYVXWNDWJXSNJK-GCJKJVERSA-N 1 0 350.506 4.798 50 0 FJAARO COc1cccc(C[NH2+]Cc2cccnc2)c1OCc1cccc(Cl)c1 ZINC000040722563 205078748 /nfs/dbraw/zinc/07/87/48/205078748.db2.gz QDHZWHNIHPBCJL-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCCCCO ZINC000040735182 205079124 /nfs/dbraw/zinc/07/91/24/205079124.db2.gz RIUZSOHIJHJTCB-UHFFFAOYSA-N 1 0 363.501 4.979 50 0 FJAARO C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040744105 205080396 /nfs/dbraw/zinc/08/03/96/205080396.db2.gz MMLVPUYDCPPHLR-NSHDSACASA-N 1 0 374.695 4.696 50 0 FJAARO Cc1ccc(C[NH2+]Cc2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000040739142 205080671 /nfs/dbraw/zinc/08/06/71/205080671.db2.gz ZLIJIFKMWKJRIQ-UHFFFAOYSA-N 1 0 374.484 4.611 50 0 FJAARO CC(C)(c1ccccc1)c1ccc(O[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042774885 205098107 /nfs/dbraw/zinc/09/81/07/205098107.db2.gz RCSVWOUIMPIZMB-INIZCTEOSA-N 1 0 360.295 4.516 50 0 FJAARO Brc1cc(-c2ccccc2)ccc1OCCC1CC[NH2+]CC1 ZINC000042770519 205098269 /nfs/dbraw/zinc/09/82/69/205098269.db2.gz FOTKUCKWGCQLRE-UHFFFAOYSA-N 1 0 360.295 4.885 50 0 FJAARO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OC(C)C ZINC000040729408 205078165 /nfs/dbraw/zinc/07/81/65/205078165.db2.gz MRFXKWMSOLELES-UHFFFAOYSA-N 1 0 351.849 4.607 50 0 FJAARO COCC[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040735526 205078328 /nfs/dbraw/zinc/07/83/28/205078328.db2.gz GRDAFSZCXVFKMI-UHFFFAOYSA-N 1 0 373.855 4.947 50 0 FJAARO Fc1ccc(COc2cccc(C[NH2+]Cc3ccncc3)c2)c(Cl)c1 ZINC000040738627 205078334 /nfs/dbraw/zinc/07/83/34/205078334.db2.gz OZQUAAPOZYGCRM-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000040729847 205078471 /nfs/dbraw/zinc/07/84/71/205078471.db2.gz IJNIOHWRYXHBNQ-QGZVFWFLSA-N 1 0 354.277 4.604 50 0 FJAARO O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044917285 205114115 /nfs/dbraw/zinc/11/41/15/205114115.db2.gz WZIXVGGRXSASCE-UHFFFAOYSA-N 1 0 364.489 4.856 50 0 FJAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000044933463 205116137 /nfs/dbraw/zinc/11/61/37/205116137.db2.gz LSWIXJYMKAWWST-KRWDZBQOSA-N 1 0 370.924 4.738 50 0 FJAARO CC(C)n1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000046007487 205128797 /nfs/dbraw/zinc/12/87/97/205128797.db2.gz YPLYVKJMLMJLTG-UHFFFAOYSA-N 1 0 368.506 4.527 50 0 FJAARO COc1ccc(C[C@H]2CCC[N@@H+]2Cc2coc(-c3cccs3)n2)cc1 ZINC000048301326 205155815 /nfs/dbraw/zinc/15/58/15/205155815.db2.gz NAWIYSDGYYAMOQ-QGZVFWFLSA-N 1 0 354.475 4.619 50 0 FJAARO COc1cc(C[N@H+](Cc2cccnc2)C2CCCCCC2)cc(OC)c1O ZINC000055310728 205214463 /nfs/dbraw/zinc/21/44/63/205214463.db2.gz POKDIVCQQHYNAT-UHFFFAOYSA-N 1 0 370.493 4.529 50 0 FJAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1 ZINC000057322913 205236334 /nfs/dbraw/zinc/23/63/34/205236334.db2.gz WVFGTSUWCWKEHA-MRXNPFEDSA-N 1 0 364.420 4.907 50 0 FJAARO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000057364747 205238366 /nfs/dbraw/zinc/23/83/66/205238366.db2.gz OPBPNELEYQRZBO-KGLIPLIRSA-N 1 0 350.384 4.692 50 0 FJAARO COc1ccccc1CCC(=O)Nc1ccc2c(c1)C[N@H+]([C@@H](C)C(C)C)C2 ZINC000058315646 205269490 /nfs/dbraw/zinc/26/94/90/205269490.db2.gz DONKJQOEADUFDO-KRWDZBQOSA-N 1 0 366.505 4.627 50 0 FJAARO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000014250689 220120526 /nfs/dbraw/zinc/12/05/26/220120526.db2.gz JZIILRGFTADVDO-KRWDZBQOSA-N 1 0 360.457 4.798 50 0 FJAARO Cc1nc(C[N@@H+]2CC[C@H](c3ccnc(-c4cccc5cccnc54)c3)C2)co1 ZINC000065526325 205357650 /nfs/dbraw/zinc/35/76/50/205357650.db2.gz MJFNTSZUSYCONV-IBGZPJMESA-N 1 0 370.456 4.583 50 0 FJAARO Fc1ccccc1Oc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1F ZINC000065888357 205360744 /nfs/dbraw/zinc/36/07/44/205360744.db2.gz VBJBVMJLZWAZDN-UHFFFAOYSA-N 1 0 369.367 4.776 50 0 FJAARO CCC(CC)C(=O)N1CCC2(CC1)CC[NH+](Cc1sccc1C)CC2 ZINC000072148179 205483043 /nfs/dbraw/zinc/48/30/43/205483043.db2.gz KMKUSGNERJCTPV-UHFFFAOYSA-N 1 0 362.583 4.697 50 0 FJAARO Clc1ccc(COc2ccc(Br)cc2C[NH2+]C2CC2)cc1 ZINC000016401753 220183829 /nfs/dbraw/zinc/18/38/29/220183829.db2.gz RDXLZOTUUHRQQO-UHFFFAOYSA-N 1 0 366.686 4.934 50 0 FJAARO CC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000040742574 205667989 /nfs/dbraw/zinc/66/79/89/205667989.db2.gz FXBFBRZAUUXSNT-UHFFFAOYSA-N 1 0 358.240 4.830 50 0 FJAARO CC(C)Oc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1Br ZINC000040730914 211754319 /nfs/dbraw/zinc/75/43/19/211754319.db2.gz DJLHWGLYDYFYGF-UHFFFAOYSA-N 1 0 366.274 4.708 50 0 FJAARO CCCOc1ccc2ccccc2c1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000113399059 206088942 /nfs/dbraw/zinc/08/89/42/206088942.db2.gz IHAGHWCMYFUDPM-UHFFFAOYSA-N 1 0 359.473 4.837 50 0 FJAARO CC1(C)C[C@@H](C[NH2+]CC[C@]2(c3ccccc3)CCOC(C)(C)C2)CCO1 ZINC000001817166 206152128 /nfs/dbraw/zinc/15/21/28/206152128.db2.gz VFBQBALYJXPYLA-CVDCTZTESA-N 1 0 359.554 4.698 50 0 FJAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc2ccccc2c1 ZINC000000969176 206224875 /nfs/dbraw/zinc/22/48/75/206224875.db2.gz HLNGTXVJYKEYLD-JTHBVZDNSA-N 1 0 356.469 4.596 50 0 FJAARO CCOc1c(Br)cc(C[NH2+][C@H](C)c2ccccc2)cc1OC ZINC000008253363 206246832 /nfs/dbraw/zinc/24/68/32/206246832.db2.gz IUVSZMDMVGBGNC-CYBMUJFWSA-N 1 0 364.283 4.707 50 0 FJAARO C[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)c1cccc(Cl)c1 ZINC000003401616 206234601 /nfs/dbraw/zinc/23/46/01/206234601.db2.gz UGEMZLZPQSSQAS-NHYWBVRUSA-N 1 0 374.695 4.737 50 0 FJAARO Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)cc(C)c1Br ZINC000170612402 206274997 /nfs/dbraw/zinc/27/49/97/206274997.db2.gz NIVJQCNFZPAMHZ-UHFFFAOYSA-N 1 0 374.326 4.537 50 0 FJAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2cccc(Cl)c2s1 ZINC000170613346 206274434 /nfs/dbraw/zinc/27/44/34/206274434.db2.gz ZBHRYYRXRLYTQJ-HOCLYGCPSA-N 1 0 362.926 4.549 50 0 FJAARO CN1CCC([NH2+]CC[C@](C)(Cc2cccs2)Cc2ccccc2)CC1 ZINC000031807480 211537356 /nfs/dbraw/zinc/53/73/56/211537356.db2.gz PECWVECODGFOSB-QFIPXVFZSA-N 1 0 356.579 4.614 50 0 FJAARO Cc1cccc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@H]3C)CC2)c1C ZINC000020733537 206342361 /nfs/dbraw/zinc/34/23/61/206342361.db2.gz DTKDTQHJIMFVFK-DYESRHJHSA-N 1 0 373.610 4.975 50 0 FJAARO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cccc2ccccc21 ZINC000058149307 206392258 /nfs/dbraw/zinc/39/22/58/206392258.db2.gz HJOPRBMEJUOYGO-LBPRGKRZSA-N 1 0 358.363 4.546 50 0 FJAARO CC(C)OCCC[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000253376550 206580085 /nfs/dbraw/zinc/58/00/85/206580085.db2.gz UFYMCSUIKNLZIE-UHFFFAOYSA-N 1 0 354.469 4.733 50 0 FJAARO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCc1ccccc1 ZINC000023424884 211390062 /nfs/dbraw/zinc/39/00/62/211390062.db2.gz PEYBLGZRXAUDOD-UHFFFAOYSA-N 1 0 374.315 4.879 50 0 FJAARO CC[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000022619735 211358041 /nfs/dbraw/zinc/35/80/41/211358041.db2.gz VPRVWFIOXRTXLG-WIYYLYMNSA-N 1 0 370.924 4.787 50 0 FJAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000022078188 211336425 /nfs/dbraw/zinc/33/64/25/211336425.db2.gz QZDKTMYGVONXAB-OXJNMPFZSA-N 1 0 358.570 4.656 50 0 FJAARO Cc1cc(C)cc(NC(=O)N2CCC(C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000021718143 211322350 /nfs/dbraw/zinc/32/23/50/211322350.db2.gz AMZDFHSRXLWABB-RTBURBONSA-N 1 0 357.542 4.525 50 0 FJAARO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000020776149 211295502 /nfs/dbraw/zinc/29/55/02/211295502.db2.gz ZKGLCGRMRGEAMN-CYBMUJFWSA-N 1 0 359.445 4.796 50 0 FJAARO Cc1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000020454389 211280475 /nfs/dbraw/zinc/28/04/75/211280475.db2.gz ZCFPIWLMKNEWIN-FQEVSTJZSA-N 1 0 373.500 4.515 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)cc1 ZINC000020205269 211270081 /nfs/dbraw/zinc/27/00/81/211270081.db2.gz IOMXYWZPNVIDCH-MRXNPFEDSA-N 1 0 371.406 4.874 50 0 FJAARO COc1cc2c(cc1OC)[C@]1(Cc3ccccc3)c3ccccc3C[N@@H+]1CC2 ZINC000019899088 211261527 /nfs/dbraw/zinc/26/15/27/211261527.db2.gz CLQQDVVZDDORTO-VWLOTQADSA-N 1 0 371.480 4.562 50 0 FJAARO Cc1cccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000019760643 211254826 /nfs/dbraw/zinc/25/48/26/211254826.db2.gz NEBLNBYMDBPDJL-UHFFFAOYSA-N 1 0 356.469 4.806 50 0 FJAARO COc1ccc(OC)c(C[N@H+](CCc2ccccc2)Cc2ccccc2)c1 ZINC000019633147 211240518 /nfs/dbraw/zinc/24/05/18/211240518.db2.gz HHXYQWUTMYGPMT-UHFFFAOYSA-N 1 0 361.485 4.949 50 0 FJAARO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000019418402 211220565 /nfs/dbraw/zinc/22/05/65/211220565.db2.gz KXVVDDZQFBVBQJ-LJQANCHMSA-N 1 0 370.496 4.736 50 0 FJAARO COc1ccc(-c2c[n+](Cc3ccc(Cl)cc3Cl)c3n2CCC3)cc1 ZINC000017246345 211182780 /nfs/dbraw/zinc/18/27/80/211182780.db2.gz LUHNIBHNTIHZQC-UHFFFAOYSA-N 1 0 374.291 4.753 50 0 FJAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C1CCC(C(C)(C)C)CC1 ZINC000017075656 211180054 /nfs/dbraw/zinc/18/00/54/211180054.db2.gz YZBWXUMBVMJAEN-KLXIGZAZSA-N 1 0 368.565 4.982 50 0 FJAARO CC(C)c1ccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 ZINC000016973307 211173291 /nfs/dbraw/zinc/17/32/91/211173291.db2.gz KPFAQCDRYZIGMD-UHFFFAOYSA-N 1 0 363.456 4.534 50 0 FJAARO Cc1scc(C(=O)NC2CC[NH+](C(C)C)CC2)c1-c1ccc(C)cc1 ZINC000016604711 211163891 /nfs/dbraw/zinc/16/38/91/211163891.db2.gz ACJZBCUKGNATBJ-UHFFFAOYSA-N 1 0 356.535 4.635 50 0 FJAARO CCC[N@@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862354 211147297 /nfs/dbraw/zinc/14/72/97/211147297.db2.gz BBIHHSIUHJTLIN-UHFFFAOYSA-N 1 0 364.489 4.647 50 0 FJAARO CC[N@@H+](Cc1ccsc1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000014959860 211106515 /nfs/dbraw/zinc/10/65/15/211106515.db2.gz SUWSUGLRDCFDDU-IBGZPJMESA-N 1 0 360.542 4.664 50 0 FJAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1cccc2ccccc21 ZINC000014199586 211085649 /nfs/dbraw/zinc/08/56/49/211085649.db2.gz LZMUDVOCMPRXOH-LJQANCHMSA-N 1 0 365.502 4.860 50 0 FJAARO O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014183873 211082475 /nfs/dbraw/zinc/08/24/75/211082475.db2.gz GJEBZAIVNAEDGS-UHFFFAOYSA-N 1 0 361.489 4.725 50 0 FJAARO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000014142418 211079134 /nfs/dbraw/zinc/07/91/34/211079134.db2.gz OQXWAGHQLXOFKA-QGZVFWFLSA-N 1 0 360.457 4.652 50 0 FJAARO C[NH+](C)CCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1 ZINC000013801629 211059712 /nfs/dbraw/zinc/05/97/12/211059712.db2.gz AVFSFGLFPZHTCH-XDOYNYLZSA-N 1 0 355.482 4.540 50 0 FJAARO COCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000013722401 211052570 /nfs/dbraw/zinc/05/25/70/211052570.db2.gz QVCPEGDSHIZEMW-UHFFFAOYSA-N 1 0 354.277 4.699 50 0 FJAARO COc1cccc(OCC[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000013690650 211050563 /nfs/dbraw/zinc/05/05/63/211050563.db2.gz CRBMXGXEXQBKHR-UHFFFAOYSA-N 1 0 368.502 4.563 50 0 FJAARO COC[C@@H](C)[NH2+]Cc1cc2ccc(C)cc2nc1-c1cccc(Cl)c1 ZINC000011790322 210893851 /nfs/dbraw/zinc/89/38/51/210893851.db2.gz VKHOQMDYBBQVDC-OAHLLOKOSA-N 1 0 354.881 4.988 50 0 FJAARO O=C(NCc1ccc(Cl)cc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010330290 210871257 /nfs/dbraw/zinc/87/12/57/210871257.db2.gz IGPZSFWRBJAMPF-UHFFFAOYSA-N 1 0 363.288 4.519 50 0 FJAARO CC(C)[N@H+](CCCNC(=O)c1csc2c1CCCC2)Cc1ccccc1 ZINC000005070137 210596471 /nfs/dbraw/zinc/59/64/71/210596471.db2.gz SFFIEDWUIRWNRT-UHFFFAOYSA-N 1 0 370.562 4.657 50 0 FJAARO CC1=C[C@H](C)[C@@H](CN(CCC[NH+](C)C)C(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000002294667 210390436 /nfs/dbraw/zinc/39/04/36/210390436.db2.gz BTSDULYOJUKWAH-IRFCIJBXSA-N 1 0 357.542 4.711 50 0 FJAARO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000000883711 210286791 /nfs/dbraw/zinc/28/67/91/210286791.db2.gz PDROKFHXWVCFHH-NRFANRHFSA-N 1 0 350.506 4.587 50 0 FJAARO Fc1ccc(C2=CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000000756655 210268787 /nfs/dbraw/zinc/26/87/87/210268787.db2.gz HOLNBUDYPVVHGO-UHFFFAOYSA-N 1 0 364.508 4.622 50 0 FJAARO COc1cccc(C[NH2+]CC(C)C)c1OCc1ccc(F)cc1Cl ZINC000020876217 220344764 /nfs/dbraw/zinc/34/47/64/220344764.db2.gz UDTXDNXFVWRZJJ-UHFFFAOYSA-N 1 0 351.849 4.812 50 0 FJAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3CCc3ccccc3)co2)cc1 ZINC000048303753 221006667 /nfs/dbraw/zinc/00/66/67/221006667.db2.gz IHQXABAQNWDXNK-OAQYLSRUSA-N 1 0 362.473 4.947 50 0 FJAARO CC(C)Oc1ccc(-c2cc([C@@H]3CC[N@H+](Cc4cccnc4)C3)ccn2)cc1 ZINC000065409783 221216050 /nfs/dbraw/zinc/21/60/50/221216050.db2.gz BNQOZLFTACIQFP-JOCHJYFZSA-N 1 0 373.500 4.920 50 0 FJAARO Cc1cc(C[N@@H+]2CCc3onc(-c4ccc(Cl)cc4)c3C2)ccc1O ZINC000067587533 221260370 /nfs/dbraw/zinc/26/03/70/221260370.db2.gz AXGBMTJUEBKFRK-UHFFFAOYSA-N 1 0 354.837 4.567 50 0 FJAARO c1ccc2c(c1)cccc2-c1noc2c1C[N@H+](CCCc1cccnc1)CC2 ZINC000071314902 221341995 /nfs/dbraw/zinc/34/19/95/221341995.db2.gz AXWPHRPQIXCZAE-UHFFFAOYSA-N 1 0 369.468 4.881 50 0 FJAARO COc1cccc(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000055291855 136126473 /nfs/dbraw/zinc/12/64/73/136126473.db2.gz VLVZXCHZGIHFQS-UHFFFAOYSA-N 1 0 358.485 4.684 50 0 FJAARO C[C@H](Cc1cccnc1)[NH2+]C1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC000063855282 136133059 /nfs/dbraw/zinc/13/30/59/136133059.db2.gz HONLOUBAMIBSFY-HXUWFJFHSA-N 1 0 371.528 4.938 50 0 FJAARO CC(C)C[NH+]1CCC(Nc2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000089840175 221743981 /nfs/dbraw/zinc/74/39/81/221743981.db2.gz DKLKUMQITKCFLO-UHFFFAOYSA-N 1 0 351.416 4.786 50 0 FJAARO CCCCC[NH+](CCCCC)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1=O ZINC000020081522 520164266 /nfs/dbraw/zinc/16/42/66/520164266.db2.gz OJQWSCCGISNPFM-HXUWFJFHSA-N 1 0 358.526 4.563 50 0 FJAARO CCCOc1c(Cl)cc(C[NH2+]CCc2c[nH]c3ccccc23)cc1OC ZINC000020931581 520294902 /nfs/dbraw/zinc/29/49/02/520294902.db2.gz CQAZLZHDWWKUSK-UHFFFAOYSA-N 1 0 372.896 4.951 50 0 FJAARO CCCOc1c(Cl)cc(C[NH2+]C[C@H](O)c2ccccc2)cc1Cl ZINC000020926453 520297939 /nfs/dbraw/zinc/29/79/39/520297939.db2.gz AIJVZHBVNYWRLB-KRWDZBQOSA-N 1 0 354.277 4.605 50 0 FJAARO CCOC(=O)C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(C)cc1 ZINC000020506783 520888968 /nfs/dbraw/zinc/88/89/68/520888968.db2.gz BJFCVZITPKOYFQ-SFHVURJKSA-N 1 0 365.395 4.798 50 0 FJAARO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876219 522232166 /nfs/dbraw/zinc/23/21/66/522232166.db2.gz ADSVBUKRAAYPSK-CYBMUJFWSA-N 1 0 351.849 4.955 50 0 FJAARO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000020873751 523975016 /nfs/dbraw/zinc/97/50/16/523975016.db2.gz FYWQFGUSAHJQCW-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccc(C)cc3)c2)cc1 ZINC000020874486 523975623 /nfs/dbraw/zinc/97/56/23/523975623.db2.gz DAGBPXJQDTVTCU-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO COc1ccc(C[N@H+](CCc2ccccc2)Cc2ccccc2)c(OC)c1 ZINC000085714655 524011925 /nfs/dbraw/zinc/01/19/25/524011925.db2.gz AWMKUSGKDLUFMR-UHFFFAOYSA-N 1 0 361.485 4.949 50 0 FJAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000020874180 524631971 /nfs/dbraw/zinc/63/19/71/524631971.db2.gz MAURZQKTSQYHTB-OAQYLSRUSA-N 1 0 361.485 4.996 50 0 FJAARO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2C)c2ccccc2)cc1 ZINC000239338775 525978747 /nfs/dbraw/zinc/97/87/47/525978747.db2.gz LERYTJDQPQZGPA-OUJCMCIWSA-N 1 0 367.533 4.630 50 0 FJAARO c1ccc(CCCN2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000019789963 526463286 /nfs/dbraw/zinc/46/32/86/526463286.db2.gz PWPSXAATMHNVGS-UHFFFAOYSA-N 1 0 362.561 4.963 50 0 FJAARO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000020203299 526752341 /nfs/dbraw/zinc/75/23/41/526752341.db2.gz ZINILCAHPHYAPU-MRXNPFEDSA-N 1 0 363.379 4.506 50 0 FJAARO Clc1cc(Br)ccc1-c1ccc(C[NH2+]C[C@@H]2CCCO2)o1 ZINC000020875623 526925245 /nfs/dbraw/zinc/92/52/45/526925245.db2.gz KOSAWAMBIIUUFD-LBPRGKRZSA-N 1 0 370.674 4.631 50 0 FJAARO Cc1ccc(Oc2ncccc2CNCc2c(F)cccc2Cl)cn1 ZINC000012320670 568142644 /nfs/dbraw/zinc/14/26/44/568142644.db2.gz NAFRWAMQYFWNAD-UHFFFAOYSA-N 1 0 357.816 4.660 50 0 FJAARO O=C(c1ccccc1)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095369155 570456054 /nfs/dbraw/zinc/45/60/54/570456054.db2.gz FJJQSNWFKXWHKR-JOCHJYFZSA-N 1 0 374.528 4.561 50 0 FJAARO CCC(=O)NCc1ccccc1-c1ccc([C@@H](C)[NH+]2CCCCC2)cc1 ZINC000096130758 570476025 /nfs/dbraw/zinc/47/60/25/570476025.db2.gz FDJYYFFDBLRHPD-GOSISDBHSA-N 1 0 350.506 4.927 50 0 FJAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3ccc4ccccc4c3)c2)C1 ZINC000034670364 570526857 /nfs/dbraw/zinc/52/68/57/570526857.db2.gz YVTFHHFQJFPNJZ-JOCHJYFZSA-N 1 0 374.484 4.677 50 0 FJAARO CCC[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1Br ZINC000002882208 570542333 /nfs/dbraw/zinc/54/23/33/570542333.db2.gz WKBOJNOIWJKTEM-UHFFFAOYSA-N 1 0 364.283 4.536 50 0 FJAARO COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccccc1)[NH2+]CC2 ZINC000003847353 570568791 /nfs/dbraw/zinc/56/87/91/570568791.db2.gz BXRDOICCYVPWDR-QFIPXVFZSA-N 1 0 359.469 4.704 50 0 FJAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccccc1Cl ZINC000004413561 570590254 /nfs/dbraw/zinc/59/02/54/570590254.db2.gz PYJDENDJJYEZIK-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO C[NH+](C)CC[C@]1(c2ccc(Cl)cc2)Cc2cc(Cl)ccc2C(=O)O1 ZINC000004760005 570605654 /nfs/dbraw/zinc/60/56/54/570605654.db2.gz YZUWAALSXOFHTI-LJQANCHMSA-N 1 0 364.272 4.554 50 0 FJAARO COc1ccccc1OCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004845122 570610456 /nfs/dbraw/zinc/61/04/56/570610456.db2.gz LYQHDQAPCSANQM-UHFFFAOYSA-N 1 0 353.506 4.809 50 0 FJAARO COCC[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000247838281 570618393 /nfs/dbraw/zinc/61/83/93/570618393.db2.gz JWKJMEKFUFYXPS-UHFFFAOYSA-N 1 0 363.288 4.732 50 0 FJAARO O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1cccs1)N1CCCCC1 ZINC000084519404 570636158 /nfs/dbraw/zinc/63/61/58/570636158.db2.gz DBSOKDODALVEDE-QUCCMNQESA-N 1 0 354.519 4.639 50 0 FJAARO CC(C)[N@@H+]1C[C@H](C)[C@](OC(=O)c2ccccc2)(c2ccccc2)C[C@@H]1C ZINC000005574440 570676493 /nfs/dbraw/zinc/67/64/93/570676493.db2.gz ISISUCXOWWQKPO-YDHSSHFGSA-N 1 0 351.490 4.878 50 0 FJAARO CCOc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCC ZINC000008253811 570679104 /nfs/dbraw/zinc/67/91/04/570679104.db2.gz WQBSVTGGLFPQHY-UHFFFAOYSA-N 1 0 356.304 4.669 50 0 FJAARO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3F)c2)cc1 ZINC000008474492 570682570 /nfs/dbraw/zinc/68/25/70/570682570.db2.gz KGJAQRPYRUVZNW-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO CCC[NH+]1CCC(Nc2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000008745222 570687144 /nfs/dbraw/zinc/68/71/44/570687144.db2.gz FXJSSDMGLSLBCC-UHFFFAOYSA-N 1 0 352.507 4.645 50 0 FJAARO CCC[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000011709015 570705654 /nfs/dbraw/zinc/70/56/54/570705654.db2.gz ZNSZGXVSFYCRJU-QHCPKHFHSA-N 1 0 364.533 4.508 50 0 FJAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000011785121 570706665 /nfs/dbraw/zinc/70/66/65/570706665.db2.gz WGKYGAJTYBUSRQ-JOCHJYFZSA-N 1 0 359.517 4.984 50 0 FJAARO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000011775563 570706734 /nfs/dbraw/zinc/70/67/34/570706734.db2.gz NNYWPYSVAVCMFN-IBGZPJMESA-N 1 0 352.453 4.553 50 0 FJAARO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000011816938 570707692 /nfs/dbraw/zinc/70/76/92/570707692.db2.gz MCLPRWXFNACTQC-MRXNPFEDSA-N 1 0 360.498 4.827 50 0 FJAARO c1coc(-c2cccc(C[NH2+][C@@H]3CCCc4c3cnn4-c3ccccn3)c2)c1 ZINC000011820544 570708110 /nfs/dbraw/zinc/70/81/10/570708110.db2.gz JYQKDFURTAJORW-HXUWFJFHSA-N 1 0 370.456 4.695 50 0 FJAARO CCOc1ccccc1C[NH+]1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000011818591 570708127 /nfs/dbraw/zinc/70/81/27/570708127.db2.gz SDIGWTPULWZKPR-UHFFFAOYSA-N 1 0 373.924 4.556 50 0 FJAARO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000011821816 570708704 /nfs/dbraw/zinc/70/87/04/570708704.db2.gz CAGJKLHHMLIEAC-OAQYLSRUSA-N 1 0 365.477 4.610 50 0 FJAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2ccc(Cl)cc2)c(F)c1 ZINC000011936470 570712300 /nfs/dbraw/zinc/71/23/00/570712300.db2.gz JMCKUBPGFBGJCH-GFCCVEGCSA-N 1 0 359.832 4.729 50 0 FJAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2ccc(Cl)cc2)c(F)c1 ZINC000011936469 570712396 /nfs/dbraw/zinc/71/23/96/570712396.db2.gz JMCKUBPGFBGJCH-LBPRGKRZSA-N 1 0 359.832 4.729 50 0 FJAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)cc1 ZINC000012301074 570733873 /nfs/dbraw/zinc/73/38/73/570733873.db2.gz BKSUIUGIHWMCQW-QGZVFWFLSA-N 1 0 364.514 4.985 50 0 FJAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)cc1 ZINC000012301076 570733894 /nfs/dbraw/zinc/73/38/94/570733894.db2.gz BKSUIUGIHWMCQW-KRWDZBQOSA-N 1 0 364.514 4.985 50 0 FJAARO CC(C)CC[NH+]1CCC(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 ZINC000012434563 570745190 /nfs/dbraw/zinc/74/51/90/570745190.db2.gz DAAKEJXZGLPYJD-UHFFFAOYSA-N 1 0 367.493 4.571 50 0 FJAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000012459441 570747594 /nfs/dbraw/zinc/74/75/94/570747594.db2.gz GJABBEZHXXGTLD-SFHVURJKSA-N 1 0 364.489 4.565 50 0 FJAARO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000017309598 570748854 /nfs/dbraw/zinc/74/88/54/570748854.db2.gz WFOYAGOPHNTAMD-SFHVURJKSA-N 1 0 354.457 4.785 50 0 FJAARO OCC1(CCCc2ccccc2)CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 ZINC000012582304 570751321 /nfs/dbraw/zinc/75/13/21/570751321.db2.gz SMQSBLIQHMKXMS-UHFFFAOYSA-N 1 0 373.924 4.643 50 0 FJAARO OCC1(Cc2ccccc2Cl)CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000012591379 570752375 /nfs/dbraw/zinc/75/23/75/570752375.db2.gz UYGHZEFTLUIUSA-UHFFFAOYSA-N 1 0 373.968 4.782 50 0 FJAARO Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3cccs3)nc2c1C ZINC000004359798 570758824 /nfs/dbraw/zinc/75/88/24/570758824.db2.gz GTWVBQVPOANEJE-UHFFFAOYSA-N 1 0 373.547 4.573 50 0 FJAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(Cl)c1Cl ZINC000012917078 570766887 /nfs/dbraw/zinc/76/68/87/570766887.db2.gz HHYPGVSNBKJOCJ-UHFFFAOYSA-N 1 0 365.304 4.765 50 0 FJAARO CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000012995090 570771138 /nfs/dbraw/zinc/77/11/38/570771138.db2.gz DRKODLMQGJSILO-IBGZPJMESA-N 1 0 364.533 4.972 50 0 FJAARO c1ccc(SCCC[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000013683722 570783971 /nfs/dbraw/zinc/78/39/71/570783971.db2.gz FMAHYEKYINWZLU-UHFFFAOYSA-N 1 0 369.559 4.601 50 0 FJAARO CCCCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000013720063 570786421 /nfs/dbraw/zinc/78/64/21/570786421.db2.gz UICHPEZMJWALDB-UHFFFAOYSA-N 1 0 371.521 4.879 50 0 FJAARO CCOc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1Br ZINC000013726704 570787703 /nfs/dbraw/zinc/78/77/03/570787703.db2.gz FXBJVQSANZPVMS-HNNXBMFYSA-N 1 0 362.311 4.959 50 0 FJAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)c1cccs1 ZINC000014169648 570810020 /nfs/dbraw/zinc/81/00/20/570810020.db2.gz OUMWDQFSKRDQDG-HNNXBMFYSA-N 1 0 352.459 4.830 50 0 FJAARO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H](C)c3cc(C)ccc3C)nc(=O)c2c1C ZINC000014233863 570814315 /nfs/dbraw/zinc/81/43/15/570814315.db2.gz KVZOMRKOXNTJCW-KBPBESRZSA-N 1 0 355.507 4.630 50 0 FJAARO COc1ccc(OC)c(C[N@H+](Cc2cc(F)cc3cccnc32)C2CC2)c1 ZINC000032825353 570816723 /nfs/dbraw/zinc/81/67/23/570816723.db2.gz BJSPUSGVWJBICO-UHFFFAOYSA-N 1 0 366.436 4.556 50 0 FJAARO CC(C)=CCC[C@H](C)C[NH+]1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000015062460 570830500 /nfs/dbraw/zinc/83/05/00/570830500.db2.gz SOMOJDXMDHWBMT-SFHVURJKSA-N 1 0 374.573 4.887 50 0 FJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)N3)C1 ZINC000004556152 570834626 /nfs/dbraw/zinc/83/46/26/570834626.db2.gz BFUQMMQBRKJPQA-GOSISDBHSA-N 1 0 369.534 4.853 50 0 FJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc4ccccc4c2)N3)C1 ZINC000004556169 570834637 /nfs/dbraw/zinc/83/46/37/570834637.db2.gz PZBAGRIDWPUUEP-IBGZPJMESA-N 1 0 363.486 4.708 50 0 FJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C(C)C)cc2)N3)C1 ZINC000004556419 570834661 /nfs/dbraw/zinc/83/46/61/570834661.db2.gz CWQPYXVLBNMCBP-GOSISDBHSA-N 1 0 355.507 4.678 50 0 FJAARO CC(C)[N@@H+]1C[C@H](C)[C@@](OC(=O)c2ccccc2)(c2ccccc2)C[C@@H]1C ZINC000015188208 570835583 /nfs/dbraw/zinc/83/55/83/570835583.db2.gz ISISUCXOWWQKPO-SFYKDHMMSA-N 1 0 351.490 4.878 50 0 FJAARO Cc1cccc2sc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c(Cl)c21 ZINC000032906819 570844417 /nfs/dbraw/zinc/84/44/17/570844417.db2.gz PFNVXLSZQZEUSZ-HNNXBMFYSA-N 1 0 372.921 4.896 50 0 FJAARO CC[NH+](CC)CCc1c(C)[nH]c(/C=C2/[NH+]=C(C)C(CCC(=O)[O-])=C2C)c1C ZINC000103425139 570850003 /nfs/dbraw/zinc/85/00/03/570850003.db2.gz WNCNTSMXTVBJNS-DEDYPNTBSA-N 1 0 371.525 4.513 50 0 FJAARO COc1ccc2ccccc2c1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000016662751 570859935 /nfs/dbraw/zinc/85/99/35/570859935.db2.gz MLUICTWTQYKFSY-UHFFFAOYSA-N 1 0 366.892 4.824 50 0 FJAARO Cc1ccc(-n2ncc3c2ncnc3NCc2ccc(Cl)cc2)cc1C ZINC000017120415 570868767 /nfs/dbraw/zinc/86/87/67/570868767.db2.gz FJPHXNVUMVVKBT-UHFFFAOYSA-N 1 0 363.852 4.698 50 0 FJAARO COc1ccc2ccccc2c1C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000019632813 570896434 /nfs/dbraw/zinc/89/64/34/570896434.db2.gz NGIRFDAYSSAPMF-UHFFFAOYSA-N 1 0 360.501 4.787 50 0 FJAARO CC(C)c1cc(=O)[nH]c(-c2ccc(C[N@H+](C)[C@@H](C)c3cccs3)cc2)n1 ZINC000019781673 570902628 /nfs/dbraw/zinc/90/26/28/570902628.db2.gz SCQPAYRSIVMJPN-HNNXBMFYSA-N 1 0 367.518 4.815 50 0 FJAARO Clc1cccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000019900153 570905822 /nfs/dbraw/zinc/90/58/22/570905822.db2.gz HWDKFWWDICLQDO-UHFFFAOYSA-N 1 0 350.893 4.811 50 0 FJAARO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000020601119 570920227 /nfs/dbraw/zinc/92/02/27/570920227.db2.gz WCGFICLTTXWXRE-CQSZACIVSA-N 1 0 359.445 4.796 50 0 FJAARO COc1cccc([C@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864921 570926092 /nfs/dbraw/zinc/92/60/92/570926092.db2.gz LHTJIRMYTXFCQU-HXUWFJFHSA-N 1 0 350.487 4.619 50 0 FJAARO C[NH+]1CCN(C/C=C2/c3ccccc3CSc3cc(Cl)ccc32)CC1 ZINC000022032087 570937834 /nfs/dbraw/zinc/93/78/34/570937834.db2.gz UFCNCLSIWYRAOP-UWVJOHFNSA-N 1 0 370.949 4.625 50 0 FJAARO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OCC ZINC000022074656 570939086 /nfs/dbraw/zinc/93/90/86/570939086.db2.gz VRMJMYPTULJIPV-UHFFFAOYSA-N 1 0 351.849 4.609 50 0 FJAARO COc1cccc(C[NH2+]CCc2ccccc2F)c1OCc1ccccc1 ZINC000022074440 570939307 /nfs/dbraw/zinc/93/93/07/570939307.db2.gz TXIUUVBFAUQGJA-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO C[N@H+](Cc1ccccc1-c1nc(C2CCC2)cc(=O)[nH]1)C1CCCCCC1 ZINC000048488495 570956159 /nfs/dbraw/zinc/95/61/59/570956159.db2.gz OEWYYZFVFKPDTK-UHFFFAOYSA-N 1 0 365.521 4.859 50 0 FJAARO Cc1sc2ncnc(NC[C@H](c3cccs3)[NH+]3CCCC3)c2c1C ZINC000024153164 570972281 /nfs/dbraw/zinc/97/22/81/570972281.db2.gz FPUKWWIGZYYORY-CQSZACIVSA-N 1 0 358.536 4.619 50 0 FJAARO C[C@H](C[N@H+](C)CCc1ccccc1)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000003080593 571005069 /nfs/dbraw/zinc/00/50/69/571005069.db2.gz IRQLUPGLMPPWEH-GJZUVCINSA-N 1 0 373.540 4.928 50 0 FJAARO Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCCCC2)cc1 ZINC000027584368 571015693 /nfs/dbraw/zinc/01/56/93/571015693.db2.gz GIVQCXMARKTINJ-OAQYLSRUSA-N 1 0 370.924 4.996 50 0 FJAARO O=C(Cc1ccccc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027749273 571020361 /nfs/dbraw/zinc/02/03/61/571020361.db2.gz MLRCAEJESKGIRC-OAQYLSRUSA-N 1 0 370.924 4.616 50 0 FJAARO CC(C)(C)c1ccc(C(=O)N2CCC(CC[NH+]3CCCCC3)CC2)cc1 ZINC000027994712 571025804 /nfs/dbraw/zinc/02/58/04/571025804.db2.gz GIBPPCOPLJCMKM-UHFFFAOYSA-N 1 0 356.554 4.712 50 0 FJAARO C[NH+](C)CCCNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428187 571032575 /nfs/dbraw/zinc/03/25/75/571032575.db2.gz NLPFBJZMXPGJDG-UHFFFAOYSA-N 1 0 367.320 4.614 50 0 FJAARO O=C(Nc1ccccn1)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000052828479 571043913 /nfs/dbraw/zinc/04/39/13/571043913.db2.gz ZJRGGJSRYUVHDM-UHFFFAOYSA-N 1 0 369.468 4.502 50 0 FJAARO CCCCCCOc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1OC ZINC000008403015 571045575 /nfs/dbraw/zinc/04/55/75/571045575.db2.gz GHMAGEJFKUWNCV-UHFFFAOYSA-N 1 0 371.477 4.673 50 0 FJAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2csc(Br)c2)cc1 ZINC000030640187 571048363 /nfs/dbraw/zinc/04/83/63/571048363.db2.gz PHROUQPIJWRNEH-NSHDSACASA-N 1 0 367.312 4.710 50 0 FJAARO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000030628297 571048487 /nfs/dbraw/zinc/04/84/87/571048487.db2.gz LWILGYLIPWKHJS-GOSISDBHSA-N 1 0 362.473 4.828 50 0 FJAARO COc1ccc2[nH]c(-c3ccccc3)c(C[N@@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008572513 571050617 /nfs/dbraw/zinc/05/06/17/571050617.db2.gz OSAMSDLBJQEKEF-INIZCTEOSA-N 1 0 362.473 4.848 50 0 FJAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000067448903 571051436 /nfs/dbraw/zinc/05/14/36/571051436.db2.gz NAPBKVJUEVDSMU-SFHVURJKSA-N 1 0 369.415 4.658 50 0 FJAARO CC(C)COc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)cc1 ZINC000008613218 571052843 /nfs/dbraw/zinc/05/28/43/571052843.db2.gz BIGDYHAEDOBLGJ-NRFANRHFSA-N 1 0 372.553 4.592 50 0 FJAARO O=C(C[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000031560520 571055014 /nfs/dbraw/zinc/05/50/14/571055014.db2.gz BATDJYIYGYYDHD-XMMPIXPASA-N 1 0 370.496 4.823 50 0 FJAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cccc(C)c2)cc(OC)c1O ZINC000033087136 571061924 /nfs/dbraw/zinc/06/19/24/571061924.db2.gz LZLYKSQCTRSOMT-LJQANCHMSA-N 1 0 355.478 4.835 50 0 FJAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccc(F)c2)c(OC)c1OC ZINC000033087134 571062141 /nfs/dbraw/zinc/06/21/41/571062141.db2.gz YWFBYBBZJDLFPV-LJQANCHMSA-N 1 0 373.468 4.969 50 0 FJAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc(OC)c1OC ZINC000033087279 571062467 /nfs/dbraw/zinc/06/24/67/571062467.db2.gz NPLFZGXJBZNHGY-INIZCTEOSA-N 1 0 361.507 4.891 50 0 FJAARO C[C@H]([NH2+]Cc1csc(Br)c1)c1ccc(-n2ccnc2)cc1 ZINC000030544933 571064388 /nfs/dbraw/zinc/06/43/88/571064388.db2.gz UFAJMTAAIKFVBG-LBPRGKRZSA-N 1 0 362.296 4.547 50 0 FJAARO [NH3+][C@@H](Cc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000033414784 571065018 /nfs/dbraw/zinc/06/50/18/571065018.db2.gz DMXMANDNPIEVFL-HXUWFJFHSA-N 1 0 353.358 4.865 50 0 FJAARO COc1ccccc1N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000000599027 571068962 /nfs/dbraw/zinc/06/89/62/571068962.db2.gz LHDBCFYGEHRWTM-UHFFFAOYSA-N 1 0 350.506 4.544 50 0 FJAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)c2ccccc2n3CC)C1 ZINC000001227467 571069649 /nfs/dbraw/zinc/06/96/49/571069649.db2.gz ANBLDXXOGVVWAX-GOSISDBHSA-N 1 0 364.489 4.590 50 0 FJAARO [NH2+]=C1N[C@H](c2ccccc2)[C@H](C(=O)c2ccc(-c3ccccc3)cc2)S1 ZINC000001272997 571069698 /nfs/dbraw/zinc/06/96/98/571069698.db2.gz PHFAMCRUQQSHQC-TZIWHRDSSA-N 1 0 358.466 4.708 50 0 FJAARO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000035511282 571076813 /nfs/dbraw/zinc/07/68/13/571076813.db2.gz VGPKCJZCKKPHDO-IBGZPJMESA-N 1 0 350.466 4.834 50 0 FJAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000035805136 571078673 /nfs/dbraw/zinc/07/86/73/571078673.db2.gz DYDSTKXDBDQODO-AWEZNQCLSA-N 1 0 353.293 4.827 50 0 FJAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000040119460 571080500 /nfs/dbraw/zinc/08/05/00/571080500.db2.gz LOJBDSMSWVWULX-HNNXBMFYSA-N 1 0 374.431 4.915 50 0 FJAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000012766625 571085005 /nfs/dbraw/zinc/08/50/05/571085005.db2.gz SJWZEJXWCCHUIY-OAQYLSRUSA-N 1 0 363.457 4.756 50 0 FJAARO C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000040157334 571088005 /nfs/dbraw/zinc/08/80/05/571088005.db2.gz FLOGTFBNOSSIMO-GOSISDBHSA-N 1 0 358.485 4.795 50 0 FJAARO CC(C)[C@@H]1C[C@@](CC[NH2+]Cc2ccccn2)(Cc2ccccc2)CCO1 ZINC000008993025 571090207 /nfs/dbraw/zinc/09/02/07/571090207.db2.gz BZGWPDMFUVTYRS-XZOQPEGZSA-N 1 0 352.522 4.625 50 0 FJAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]CCCn2ccnc2)c1 ZINC000040719826 571092391 /nfs/dbraw/zinc/09/23/91/571092391.db2.gz PWLQHNLGTXNLOB-UHFFFAOYSA-N 1 0 369.896 4.604 50 0 FJAARO O[C@H](C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1 ZINC000040721316 571092653 /nfs/dbraw/zinc/09/26/53/571092653.db2.gz LWKUHFMZUDJSLP-GOSISDBHSA-N 1 0 361.363 4.789 50 0 FJAARO COc1cccc(C[NH2+]CCc2ccccc2)c1OCc1cccc(C)c1 ZINC000040722243 571092787 /nfs/dbraw/zinc/09/27/87/571092787.db2.gz KKDLOULTIXDVFX-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO COc1ccccc1C[NH2+]Cc1ccc(OC(C)C)c(Br)c1 ZINC000040730979 571094010 /nfs/dbraw/zinc/09/40/10/571094010.db2.gz CMXZRJAAPSPJNR-UHFFFAOYSA-N 1 0 364.283 4.535 50 0 FJAARO OCCCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732529 571094347 /nfs/dbraw/zinc/09/43/47/571094347.db2.gz QITJDVHYBFJOEL-UHFFFAOYSA-N 1 0 368.304 4.825 50 0 FJAARO CCC(C)(C)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770985 571098630 /nfs/dbraw/zinc/09/86/30/571098630.db2.gz KRUSLDAKGZSTGY-CQSZACIVSA-N 1 0 354.332 4.905 50 0 FJAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccnc2)cc1 ZINC000009220980 571101491 /nfs/dbraw/zinc/10/14/91/571101491.db2.gz BHLBFLWZMRLKMI-UHFFFAOYSA-N 1 0 354.457 4.533 50 0 FJAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000044933461 571104923 /nfs/dbraw/zinc/10/49/23/571104923.db2.gz LSWIXJYMKAWWST-QGZVFWFLSA-N 1 0 370.924 4.738 50 0 FJAARO Cc1cc(C)n(Cc2ccc(-c3cccc([C@H](C)[NH+]4CCCC4)c3)nc2)n1 ZINC000426641454 571105137 /nfs/dbraw/zinc/10/51/37/571105137.db2.gz GLYYIUKQUJMURY-IBGZPJMESA-N 1 0 360.505 4.767 50 0 FJAARO Cc1cc(C)n(Cc2ccc(-c3cccc([C@@H](C)[NH+]4CCCC4)c3)nc2)n1 ZINC000426641457 571105185 /nfs/dbraw/zinc/10/51/85/571105185.db2.gz GLYYIUKQUJMURY-LJQANCHMSA-N 1 0 360.505 4.767 50 0 FJAARO CCCSc1ccccc1N1CC[NH+](CCc2cccc(OC)c2)CC1 ZINC000001684180 571113470 /nfs/dbraw/zinc/11/34/70/571113470.db2.gz LQYOTQMCAWGRNR-UHFFFAOYSA-N 1 0 370.562 4.562 50 0 FJAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)c2scc3c2CCCC3)cc1 ZINC000244724191 571115347 /nfs/dbraw/zinc/11/53/47/571115347.db2.gz MPMPRAALIOVMEO-FQEVSTJZSA-N 1 0 368.546 4.666 50 0 FJAARO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000012819502 571116489 /nfs/dbraw/zinc/11/64/89/571116489.db2.gz ADALEZWCSKMBQT-OAQYLSRUSA-N 1 0 363.457 4.837 50 0 FJAARO COc1c[nH]c(C[N@H+](CCC2=CCCCC2)Cc2ccc(F)cc2)cc1=O ZINC000244787977 571116600 /nfs/dbraw/zinc/11/66/00/571116600.db2.gz QHFVEEQMFPCLQR-UHFFFAOYSA-N 1 0 370.468 4.828 50 0 FJAARO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(Cl)cc1 ZINC000010139794 571122914 /nfs/dbraw/zinc/12/29/14/571122914.db2.gz ZHYNGRSAMYHGBS-UHFFFAOYSA-N 1 0 367.880 4.639 50 0 FJAARO CC[NH+](CC)CCC[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247913104 571126154 /nfs/dbraw/zinc/12/61/54/571126154.db2.gz LVTPDPKPRGEMDK-UHFFFAOYSA-N 1 0 363.549 4.820 50 0 FJAARO CC[C@H](C)[NH2+]Cc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000248253822 571128563 /nfs/dbraw/zinc/12/85/63/571128563.db2.gz TWYHKURSBOXCCY-AWEZNQCLSA-N 1 0 372.875 4.674 50 0 FJAARO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C1CCCCCC1)c1ccccc1 ZINC000012859809 571129684 /nfs/dbraw/zinc/12/96/84/571129684.db2.gz IDJAUCHIEKWJPU-JOCHJYFZSA-N 1 0 366.505 4.996 50 0 FJAARO C[C@@H](C[N@H+](C)CCc1ccccc1)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000004827741 571132144 /nfs/dbraw/zinc/13/21/44/571132144.db2.gz IRQLUPGLMPPWEH-NVQXNPDNSA-N 1 0 373.540 4.928 50 0 FJAARO Clc1cccc(Cn2cc(C[NH2+]C[C@H]3CCCO3)c3ccccc32)c1 ZINC000253488443 571135824 /nfs/dbraw/zinc/13/58/24/571135824.db2.gz ASQQDXADFVIYCH-LJQANCHMSA-N 1 0 354.881 4.612 50 0 FJAARO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)C[C@H](O)c1ccccc1 ZINC000035287170 571140738 /nfs/dbraw/zinc/14/07/38/571140738.db2.gz BJUMGNUGYMALPB-JPYJTQIMSA-N 1 0 374.484 4.665 50 0 FJAARO CCCc1ccc(C[NH+]2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)o1 ZINC000067896278 571151591 /nfs/dbraw/zinc/15/15/91/571151591.db2.gz GQNDVQCCDLLPGF-UHFFFAOYSA-N 1 0 364.489 4.572 50 0 FJAARO CS[C@H](C)CC[N@@H+]1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067946257 571152205 /nfs/dbraw/zinc/15/22/05/571152205.db2.gz GSBLTAPRIGYYHU-CYBMUJFWSA-N 1 0 363.548 4.765 50 0 FJAARO CCc1ccccc1NC(=S)N1CCC([N@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000004668317 571156269 /nfs/dbraw/zinc/15/62/69/571156269.db2.gz FJNBWAUXMMDIAO-UWJYYQICSA-N 1 0 373.610 4.921 50 0 FJAARO CCOc1ccc(CNc2[nH+]cc(-c3ccc(C)c(C)c3)n2C)cc1OC ZINC000004678993 571158499 /nfs/dbraw/zinc/15/84/99/571158499.db2.gz IWKOJRMOXJFBLH-UHFFFAOYSA-N 1 0 365.477 4.723 50 0 FJAARO Fc1ccc(Cn2c[n+](Cc3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000261490711 571164524 /nfs/dbraw/zinc/16/45/24/571164524.db2.gz GRNXZOCZCRXXSI-UHFFFAOYSA-N 1 0 351.832 4.818 50 0 FJAARO Cc1c(C[N@@H+]2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cnn1C ZINC000071755013 571165348 /nfs/dbraw/zinc/16/53/48/571165348.db2.gz PSKJJZKRTPTRKB-MRXNPFEDSA-N 1 0 365.443 4.592 50 0 FJAARO CSc1ccccc1C(=O)NC[C@H](c1csc2ccccc21)[NH+](C)C ZINC000575622474 571173215 /nfs/dbraw/zinc/17/32/15/571173215.db2.gz ZATJVZRNJVHTRG-QGZVFWFLSA-N 1 0 370.543 4.656 50 0 FJAARO Cc1cccc(-c2nnc([C@H](C)N[C@H](C)c3ccc(-n4ccnc4)cc3)o2)c1 ZINC000012530967 571174852 /nfs/dbraw/zinc/17/48/52/571174852.db2.gz LGLRACBARNKYLL-SJORKVTESA-N 1 0 373.460 4.643 50 0 FJAARO Cc1cccc(-c2nnc([C@H](C)N[C@@H](C)c3ccc(-n4ccnc4)cc3)o2)c1 ZINC000012530968 571174913 /nfs/dbraw/zinc/17/49/13/571174913.db2.gz LGLRACBARNKYLL-IRXDYDNUSA-N 1 0 373.460 4.643 50 0 FJAARO CC(=O)c1cc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)cs1 ZINC000072155879 571174999 /nfs/dbraw/zinc/17/49/99/571174999.db2.gz IRGGRQCIKHTHOA-JAXLGGSGSA-N 1 0 369.530 4.603 50 0 FJAARO Cc1nc(C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)cc(=O)[nH]1 ZINC000072168433 571176981 /nfs/dbraw/zinc/17/69/81/571176981.db2.gz HPNVWBNVLYHBJU-UHFFFAOYSA-N 1 0 359.473 4.537 50 0 FJAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012575079 571185238 /nfs/dbraw/zinc/18/52/38/571185238.db2.gz GYKROQWGSBMGEA-RBBKRZOGSA-N 1 0 362.517 4.741 50 0 FJAARO Cc1cc2[nH]c(C(=O)Nc3ccc(C)cc3Cl)c(C[NH+](C)C)c2s1 ZINC000075487767 571190549 /nfs/dbraw/zinc/19/05/49/571190549.db2.gz LNIBWZRLQDFNAC-UHFFFAOYSA-N 1 0 361.898 4.814 50 0 FJAARO CSc1ccccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299760783 571193402 /nfs/dbraw/zinc/19/34/02/571193402.db2.gz JYOQAJYWWITGAD-HXUWFJFHSA-N 1 0 368.546 4.756 50 0 FJAARO CCCC(=O)Nc1cccc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000092127702 571198073 /nfs/dbraw/zinc/19/80/73/571198073.db2.gz RWBAPVOYCAHFIM-AZUAARDMSA-N 1 0 365.521 4.981 50 0 FJAARO CC[N@H+](CCOC)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000072481200 571200139 /nfs/dbraw/zinc/20/01/39/571200139.db2.gz DRUXLQLQGXTRNR-UHFFFAOYSA-N 1 0 363.505 4.624 50 0 FJAARO CC(=NNc1nc(C)cc(=O)[nH]1)c1ccc2c(c1)Nc1ccccc1S2 ZINC000252457339 571201867 /nfs/dbraw/zinc/20/18/67/571201867.db2.gz ACTUKWWKEDRHMP-UHFFFAOYSA-N 1 0 363.446 4.535 50 0 FJAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000075448592 571203180 /nfs/dbraw/zinc/20/31/80/571203180.db2.gz ZPZSLWRUMSUWCW-IBGZPJMESA-N 1 0 366.465 4.534 50 0 FJAARO COc1ccccc1[C@]1(CC[NH2+]Cc2ccccc2)CCOC(C)(C)C1 ZINC000004027909 571206059 /nfs/dbraw/zinc/20/60/59/571206059.db2.gz SYGFEMKESHDRBP-HSZRJFAPSA-N 1 0 353.506 4.702 50 0 FJAARO CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1C ZINC000035840769 571206539 /nfs/dbraw/zinc/20/65/39/571206539.db2.gz PZBBGTKGCHJIBX-HSZRJFAPSA-N 1 0 356.554 4.854 50 0 FJAARO CC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035840587 571206560 /nfs/dbraw/zinc/20/65/60/571206560.db2.gz FRLOKEXGTYTPDM-QHCPKHFHSA-N 1 0 372.528 4.829 50 0 FJAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccnc3ccccc32)cc1 ZINC000077564336 571215588 /nfs/dbraw/zinc/21/55/88/571215588.db2.gz SAFIWAUZDJTFRD-QHCPKHFHSA-N 1 0 373.500 4.664 50 0 FJAARO C[C@@H](CCN(C)C(=O)c1ccc(-c2cc(F)ccc2F)cc1)[NH+]1CCCC1 ZINC000426430973 571224612 /nfs/dbraw/zinc/22/46/12/571224612.db2.gz FULMQULGMKSHTB-INIZCTEOSA-N 1 0 372.459 4.578 50 0 FJAARO Cc1ccc2ccccc2c1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082120501 571228841 /nfs/dbraw/zinc/22/88/41/571228841.db2.gz ADADPQIYXOPWFW-UHFFFAOYSA-N 1 0 371.484 4.547 50 0 FJAARO Cc1ccc(NC(=O)COc2ccc(Cl)cc2C[NH2+]C(C)(C)C)cc1 ZINC000040743567 571238747 /nfs/dbraw/zinc/23/87/47/571238747.db2.gz QXBKPFCEOBEQOB-UHFFFAOYSA-N 1 0 360.885 4.554 50 0 FJAARO COCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743467 571238757 /nfs/dbraw/zinc/23/87/57/571238757.db2.gz MVPNUCGKTAQWTO-UHFFFAOYSA-N 1 0 374.695 4.962 50 0 FJAARO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169681689 571247156 /nfs/dbraw/zinc/24/71/56/571247156.db2.gz IBJNXAISHPAMLM-YLJYHZDGSA-N 1 0 361.913 4.689 50 0 FJAARO COc1cccc([C@@H]2C[NH2+]C3(CCCC3)c3[nH]c4ccccc4c32)c1OC ZINC000006941378 571255407 /nfs/dbraw/zinc/25/54/07/571255407.db2.gz WEOGMGPWXZEBBC-KRWDZBQOSA-N 1 0 362.473 4.690 50 0 FJAARO FC(F)(F)c1cccc(C[NH+]2CCC(Cn3cnc4ccccc43)CC2)c1 ZINC000036708889 571261400 /nfs/dbraw/zinc/26/14/00/571261400.db2.gz NKGVYUHHWHYEFM-UHFFFAOYSA-N 1 0 373.422 4.967 50 0 FJAARO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000170593517 571266264 /nfs/dbraw/zinc/26/62/64/571266264.db2.gz HFKFZNGILSQMNK-CYBMUJFWSA-N 1 0 371.834 4.547 50 0 FJAARO Cc1cc(OC[C@H](O)Cn2c3ccccc3nc2C(C)C)cc(C)c1Cl ZINC000016903695 571273586 /nfs/dbraw/zinc/27/35/86/571273586.db2.gz YXTYUQARUBPWJM-MRXNPFEDSA-N 1 0 372.896 4.870 50 0 FJAARO C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2cc(=O)oc3cc4c(cc23)CCC4)o1 ZINC000017524027 571282517 /nfs/dbraw/zinc/28/25/17/571282517.db2.gz XDJRQQVWUSXAFQ-AUUYWEPGSA-N 1 0 363.457 4.630 50 0 FJAARO O[C@H](C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000195567239 571289710 /nfs/dbraw/zinc/28/97/10/571289710.db2.gz KWMNCKCOOLDATE-CRAIPNDOSA-N 1 0 372.921 4.863 50 0 FJAARO CCc1cccc(C)c1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000007922444 571294382 /nfs/dbraw/zinc/29/43/82/571294382.db2.gz RUZQERPLUCOIOL-HNNXBMFYSA-N 1 0 367.518 4.799 50 0 FJAARO CC1=C(C)[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)N([C@@H](C)CCc2ccccc2)C1=O ZINC000020149826 571308390 /nfs/dbraw/zinc/30/83/90/571308390.db2.gz HVPIHAPTVNHLJF-IPPWWJLBSA-N 1 0 368.565 4.927 50 0 FJAARO C[C@H](C[N@H+](C)CCc1ccccc1)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000100817612 571309127 /nfs/dbraw/zinc/30/91/27/571309127.db2.gz IRQLUPGLMPPWEH-ATIYNZHBSA-N 1 0 373.540 4.928 50 0 FJAARO c1ccc2sc(C[N@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)nc2c1 ZINC000027574125 571318015 /nfs/dbraw/zinc/31/80/15/571318015.db2.gz HRLKHBULGHNVJZ-UHFFFAOYSA-N 1 0 366.486 4.970 50 0 FJAARO CC(C)[C@@H]([NH2+][C@H]1CCc2c1cc(Br)cc2F)c1ccccn1 ZINC000095968211 571333216 /nfs/dbraw/zinc/33/32/16/571333216.db2.gz WNPQMUMEKDHPHG-FUHWJXTLSA-N 1 0 363.274 4.957 50 0 FJAARO Cc1cccc(NC(=S)N(Cc2ccco2)C2CC[NH+](C(C)C)CC2)c1 ZINC000002912844 571341588 /nfs/dbraw/zinc/34/15/88/571341588.db2.gz RRJSBPQBTAPRKF-UHFFFAOYSA-N 1 0 371.550 4.660 50 0 FJAARO Cc1ccccc1NC(=S)N1CCC([N@@H+](C)C2CCCCCC2)CC1 ZINC000003060955 571344424 /nfs/dbraw/zinc/34/44/24/571344424.db2.gz GODSACKHJOAKJY-UHFFFAOYSA-N 1 0 359.583 4.811 50 0 FJAARO CC1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000003325074 571347429 /nfs/dbraw/zinc/34/74/29/571347429.db2.gz ZNLUFHCQFGLOLY-HXUWFJFHSA-N 1 0 361.570 4.872 50 0 FJAARO C[NH+](C)[C@H](CNC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000003347651 571348031 /nfs/dbraw/zinc/34/80/31/571348031.db2.gz WEAOZQXHRNVZDB-JOCHJYFZSA-N 1 0 360.457 4.512 50 0 FJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC=C(c2ccccc2)CC1 ZINC000030996488 571350219 /nfs/dbraw/zinc/35/02/19/571350219.db2.gz DRULOKBFXBLIAI-UHFFFAOYSA-N 1 0 360.501 4.602 50 0 FJAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=S)Nc2cccc(Cl)c2)C1 ZINC000003589074 571351368 /nfs/dbraw/zinc/35/13/68/571351368.db2.gz UEAXCDRBRBTKKU-JKSUJKDBSA-N 1 0 373.953 4.710 50 0 FJAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1ccnc2ccccc21 ZINC000670452711 571353191 /nfs/dbraw/zinc/35/31/91/571353191.db2.gz ZDYFMXOXOYVPHX-HSZRJFAPSA-N 1 0 373.500 4.582 50 0 FJAARO CC[NH+](CC)[C@@H](CNC(=O)c1occc1-c1ccccc1)c1ccsc1 ZINC000031992650 571354893 /nfs/dbraw/zinc/35/48/93/571354893.db2.gz QLRBJDHXOYWLGK-IBGZPJMESA-N 1 0 368.502 4.821 50 0 FJAARO CCc1ccccc1NC(=S)N(CCC[NH+]1CCCC1)Cc1ccco1 ZINC000004193727 571356743 /nfs/dbraw/zinc/35/67/43/571356743.db2.gz XUOPKKJLWKBQST-UHFFFAOYSA-N 1 0 371.550 4.527 50 0 FJAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000008003749 571358343 /nfs/dbraw/zinc/35/83/43/571358343.db2.gz VZUXACYVTQLCCK-SFHVURJKSA-N 1 0 368.374 4.770 50 0 FJAARO COc1ccc(CC[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)cc1OC ZINC000000977876 210225725 /nfs/dbraw/zinc/22/57/25/210225725.db2.gz GVXILTUYRLRQQA-HXUWFJFHSA-N 1 0 364.489 4.703 50 0 FJAARO Cc1csc2n1c(C(=O)c1ccc(Cl)cc1)c(C)[n+]2-c1ccccc1 ZINC000000855447 219331552 /nfs/dbraw/zinc/33/15/52/219331552.db2.gz LWRWLTQOLBHNFA-UHFFFAOYSA-N 1 0 367.881 4.779 50 0 FJAARO CCOCCC[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000248266821 222965420 /nfs/dbraw/zinc/96/54/20/222965420.db2.gz FIKVZKDKFAJGDR-UHFFFAOYSA-N 1 0 374.887 4.998 50 0 FJAARO CC[C@H](OC(C)=O)C(C[C@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001530967 204012478 /nfs/dbraw/zinc/01/24/78/204012478.db2.gz XBMIVRRWGCYBTQ-AVRDEDQJSA-N 1 0 353.506 4.655 50 0 world FJAARO O[C@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000001729524 204018507 /nfs/dbraw/zinc/01/85/07/204018507.db2.gz VKLJPGAHSLIQKH-TZIWHRDSSA-N 1 0 352.865 4.731 50 0 in-vitro FJAARO CCCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000001859790 204021224 /nfs/dbraw/zinc/02/12/24/204021224.db2.gz RNCIJGHXTXBEKJ-UHFFFAOYSA-N 1 0 352.478 4.714 50 0 FJAARO CCCC[NH2+]Cc1cc(Br)c(OC2CCCC2)c(OC)c1 ZINC000002891252 204066532 /nfs/dbraw/zinc/06/65/32/204066532.db2.gz XIDROJXYFJREQL-UHFFFAOYSA-N 1 0 356.304 4.669 50 0 FJAARO Cc1c(Cl)cccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccco1 ZINC000003050948 204075418 /nfs/dbraw/zinc/07/54/18/204075418.db2.gz LOZNUSRYBQAASV-CQSZACIVSA-N 1 0 365.930 4.563 50 0 FJAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2ccc(C)c(Cl)c2)CC1 ZINC000003060216 204077292 /nfs/dbraw/zinc/07/72/92/204077292.db2.gz LWIPBNGOPDEHMU-CQSZACIVSA-N 1 0 353.963 4.540 50 0 FJAARO CN(c1ncnc2scc(-c3ccc(Cl)cc3)c21)C1CC[NH+](C)CC1 ZINC000003306100 204090494 /nfs/dbraw/zinc/09/04/94/204090494.db2.gz IYOAEBAARGYYSQ-UHFFFAOYSA-N 1 0 372.925 4.542 50 0 FJAARO OC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@H]1CCC[NH2+]1 ZINC000002562276 204044165 /nfs/dbraw/zinc/04/41/65/204044165.db2.gz LNUDNNFEXRHHGY-XMMPIXPASA-N 1 0 353.465 4.981 50 0 FJAARO C[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000002735141 204053488 /nfs/dbraw/zinc/05/34/88/204053488.db2.gz MRGJXMGXQNYXHC-LJQANCHMSA-N 1 0 362.517 4.690 50 0 FJAARO CC[NH+](CC)CCCN(Cc1ccco1)C(=S)Nc1cccc(C)c1 ZINC000003665491 204110233 /nfs/dbraw/zinc/11/02/33/204110233.db2.gz WSTAWJRNRYGRQB-UHFFFAOYSA-N 1 0 359.539 4.519 50 0 FJAARO COc1ccccc1[C@@]1(CC[NH2+]Cc2ccco2)CCO[C@@H](C(C)C)C1 ZINC000004043409 204119366 /nfs/dbraw/zinc/11/93/66/204119366.db2.gz RRBSQXXIPSHAEE-YADHBBJMSA-N 1 0 357.494 4.541 50 0 FJAARO CCOc1ccccc1NC(=O)[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000003371961 204096918 /nfs/dbraw/zinc/09/69/18/204096918.db2.gz GHTQTHBTHYZPKR-JOCHJYFZSA-N 1 0 366.505 4.935 50 0 FJAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2ccc(C)cc2Cl)CC1 ZINC000003588682 204106681 /nfs/dbraw/zinc/10/66/81/204106681.db2.gz ZLOYNBNMHKXZMT-UHFFFAOYSA-N 1 0 353.963 4.542 50 0 FJAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccccc1Cl ZINC000004622057 204150371 /nfs/dbraw/zinc/15/03/71/204150371.db2.gz ANPPGACKDCNCDR-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO CCOc1ccc(-c2c[nH+]c(NCc3c(F)cccc3Cl)n2C)cc1 ZINC000004678969 204153654 /nfs/dbraw/zinc/15/36/54/204153654.db2.gz SAGZEUAEYGQNBR-UHFFFAOYSA-N 1 0 359.832 4.890 50 0 FJAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(SC)cc3)n2C)cc1 ZINC000004678889 204154600 /nfs/dbraw/zinc/15/46/00/204154600.db2.gz BXLORIQUJORLBL-UHFFFAOYSA-N 1 0 353.491 4.820 50 0 FJAARO COc1cccc(C[NH2+]Cc2cccs2)c1OCc1ccc(F)cc1 ZINC000004784831 204162871 /nfs/dbraw/zinc/16/28/71/204162871.db2.gz HJBOBAYFTLBOJH-UHFFFAOYSA-N 1 0 357.450 4.765 50 0 FJAARO C[C@@](O)(C[NH2+]Cc1ccc(Cl)cc1)CSc1ccccc1Cl ZINC000004390036 204136877 /nfs/dbraw/zinc/13/68/77/204136877.db2.gz FZUIXXAUMVLKKS-QGZVFWFLSA-N 1 0 356.318 4.626 50 0 FJAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2)N3)C1 ZINC000004553969 204147065 /nfs/dbraw/zinc/14/70/65/204147065.db2.gz TWCWGJZBRRFOSJ-MRXNPFEDSA-N 1 0 361.898 4.597 50 0 FJAARO O=C(C[n+]1cn(Cc2ccccc2)c2ccccc21)c1ccc(Cl)cc1 ZINC000005331733 204202810 /nfs/dbraw/zinc/20/28/10/204202810.db2.gz KYRUMZANDKXKNJ-UHFFFAOYSA-N 1 0 361.852 4.513 50 0 FJAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1cc(Br)ccc1F ZINC000006721485 204263777 /nfs/dbraw/zinc/26/37/77/204263777.db2.gz BLNFOJMLNGSYFP-UHFFFAOYSA-N 1 0 360.230 4.601 50 0 FJAARO O=C(Nc1ccc(F)c(Cl)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000006877350 204278642 /nfs/dbraw/zinc/27/86/42/204278642.db2.gz JEWRQYNSEZDWET-UHFFFAOYSA-N 1 0 367.896 4.599 50 0 FJAARO CCOc1ccc2ccccc2c1C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000008325118 204326812 /nfs/dbraw/zinc/32/68/12/204326812.db2.gz PBFUHDKLVKVHKN-UHFFFAOYSA-N 1 0 365.473 4.588 50 0 FJAARO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000008474476 204332145 /nfs/dbraw/zinc/33/21/45/204332145.db2.gz FCTHMRKAPZUYJA-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)cc1 ZINC000007541152 204300899 /nfs/dbraw/zinc/30/08/99/204300899.db2.gz JSNRTJISKFNOCF-INIZCTEOSA-N 1 0 360.457 4.814 50 0 FJAARO CCc1ccc(-c2nc3ccccn3c2C[NH2+]Cc2ccc(OC)cc2)cc1 ZINC000009740823 204381443 /nfs/dbraw/zinc/38/14/43/204381443.db2.gz IIKLUBGKBXAMGO-UHFFFAOYSA-N 1 0 371.484 4.862 50 0 FJAARO CC(C)CC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C(C)C ZINC000009959459 204386956 /nfs/dbraw/zinc/38/69/56/204386956.db2.gz BPYDLNVPCXLBAM-UHFFFAOYSA-N 1 0 370.541 4.978 50 0 FJAARO CCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C(C)C ZINC000009942779 204387424 /nfs/dbraw/zinc/38/74/24/204387424.db2.gz HPOABIQFGJBERU-UHFFFAOYSA-N 1 0 356.514 4.732 50 0 FJAARO Clc1cc(Cl)cc(-c2ccc(C[NH2+]CCCn3ccnc3)o2)c1 ZINC000010314104 204393948 /nfs/dbraw/zinc/39/39/48/204393948.db2.gz YRAVUASEOBGZMG-UHFFFAOYSA-N 1 0 350.249 4.630 50 0 FJAARO CC(C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000010435950 204395634 /nfs/dbraw/zinc/39/56/34/204395634.db2.gz RYZLRRGSZAJWFG-UHFFFAOYSA-N 1 0 352.247 4.665 50 0 FJAARO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccnc1 ZINC000012533241 204471669 /nfs/dbraw/zinc/47/16/69/204471669.db2.gz OGTBZLVRUQFBDO-IBGZPJMESA-N 1 0 368.484 4.844 50 0 FJAARO C[N@@H+](Cc1cccc2ccccc21)Cc1cc(Cl)cc2c1OCOC2 ZINC000058419350 212009133 /nfs/dbraw/zinc/00/91/33/212009133.db2.gz FICAHNCLBBXOQW-UHFFFAOYSA-N 1 0 353.849 4.992 50 0 FJAARO CCOc1ccc(Br)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000022075943 204769213 /nfs/dbraw/zinc/76/92/13/204769213.db2.gz ADQVTYKDJIFERY-UHFFFAOYSA-N 1 0 373.294 4.661 50 0 FJAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cccc(C)c2)cc(OC)c1O ZINC000033087137 204957279 /nfs/dbraw/zinc/95/72/79/204957279.db2.gz LZLYKSQCTRSOMT-IBGZPJMESA-N 1 0 355.478 4.835 50 0 FJAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036031099 205002310 /nfs/dbraw/zinc/00/23/10/205002310.db2.gz FQLUPUAKLCMQNM-FQEVSTJZSA-N 1 0 361.913 4.609 50 0 FJAARO CC1(C)CC(NC(=O)Nc2ccccc2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000036391268 205015296 /nfs/dbraw/zinc/01/52/96/205015296.db2.gz RBXMDYZUTLGAGZ-UHFFFAOYSA-N 1 0 365.521 4.708 50 0 FJAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]C[C@H]2CCCO2)c1 ZINC000040734818 205078781 /nfs/dbraw/zinc/07/87/81/205078781.db2.gz GVSUCMRAXUUHBE-OAQYLSRUSA-N 1 0 361.485 4.996 50 0 FJAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCO1 ZINC000040735031 205079415 /nfs/dbraw/zinc/07/94/15/205079415.db2.gz AUEYHNFVHIRWLY-NRFANRHFSA-N 1 0 361.485 4.996 50 0 FJAARO O[C@H](C[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccccc1 ZINC000040738988 205080015 /nfs/dbraw/zinc/08/00/15/205080015.db2.gz IJWMKKJQDKQCFR-JOCHJYFZSA-N 1 0 367.876 4.742 50 0 FJAARO COc1cc(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1OC ZINC000040722155 205076564 /nfs/dbraw/zinc/07/65/64/205076564.db2.gz KBAMBHHCOJIQJQ-UHFFFAOYSA-N 1 0 374.695 4.996 50 0 FJAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2ccncc2)o1 ZINC000040721937 205077186 /nfs/dbraw/zinc/07/71/86/205077186.db2.gz BMJFVPMDZZNRNZ-UHFFFAOYSA-N 1 0 357.251 4.702 50 0 FJAARO CC(C)Oc1c(Cl)cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Cl ZINC000040730717 205078289 /nfs/dbraw/zinc/07/82/89/205078289.db2.gz SNQDRBZVEJTWKF-UHFFFAOYSA-N 1 0 368.260 4.799 50 0 FJAARO CC(C)OCCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000040722909 205078401 /nfs/dbraw/zinc/07/84/01/205078401.db2.gz QAVFMTMVYWXOFI-UHFFFAOYSA-N 1 0 365.876 4.963 50 0 FJAARO COc1ccc(CC[NH2+]Cc2cccc(OCc3cccc(C)c3)c2)cc1 ZINC000040738131 205078507 /nfs/dbraw/zinc/07/85/07/205078507.db2.gz LBIGFTNQINBCLP-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000044934154 205115889 /nfs/dbraw/zinc/11/58/89/205115889.db2.gz FULQOPCNDBFNLU-OAHLLOKOSA-N 1 0 374.887 4.569 50 0 FJAARO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000044935024 205116694 /nfs/dbraw/zinc/11/66/94/205116694.db2.gz OQNSNHSNOWRHEE-IBGZPJMESA-N 1 0 350.506 4.780 50 0 FJAARO c1cnn(-c2ccc(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)cc2)c1 ZINC000048262102 205154605 /nfs/dbraw/zinc/15/46/05/205154605.db2.gz MDIAPVKZWCCNRQ-UHFFFAOYSA-N 1 0 356.473 4.733 50 0 FJAARO CCc1ccc2c(C[N@@H+]3CCC[C@H]3c3cccc(OC)c3)cc(=O)oc2c1 ZINC000057562996 205243353 /nfs/dbraw/zinc/24/33/53/205243353.db2.gz SIWHBSPRRKSWHS-NRFANRHFSA-N 1 0 363.457 4.701 50 0 FJAARO COc1cc2c(cc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1)oc1ccccc12 ZINC000059924998 205282541 /nfs/dbraw/zinc/28/25/41/205282541.db2.gz KGCACXSWZYRARR-HNNXBMFYSA-N 1 0 374.440 4.711 50 0 FJAARO CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000064590818 205302144 /nfs/dbraw/zinc/30/21/44/205302144.db2.gz HPNVNNVFMNQGTD-UHFFFAOYSA-N 1 0 363.505 4.539 50 0 FJAARO CCOc1cc(C[NH+]2CCCC2)ccc1Oc1ccc(C(F)(F)F)cn1 ZINC000067834455 205395848 /nfs/dbraw/zinc/39/58/48/205395848.db2.gz JYIZNZDBODOAAC-UHFFFAOYSA-N 1 0 366.383 4.887 50 0 FJAARO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3ccc(C)cc3)ccc2c1 ZINC000015544864 220155606 /nfs/dbraw/zinc/15/56/06/220155606.db2.gz XSPFFITYVZEAKO-QGZVFWFLSA-N 1 0 362.473 4.616 50 0 FJAARO Fc1cccc(Cl)c1COc1ccccc1C[NH2+]Cc1cccnc1 ZINC000040732172 211756606 /nfs/dbraw/zinc/75/66/06/211756606.db2.gz XJRUVPWEVCOWPP-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO Cc1ccccc1COc1ccccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000040731607 211755322 /nfs/dbraw/zinc/75/53/22/211755322.db2.gz HGPBZKNUAVLLAX-UHFFFAOYSA-N 1 0 361.441 4.593 50 0 FJAARO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3C)cc2)cc1 ZINC000040722699 211755345 /nfs/dbraw/zinc/75/53/45/211755345.db2.gz MPVPEHJUSXYNHP-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO Cc1ccc(CSc2ccccc2NC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000097117381 205897157 /nfs/dbraw/zinc/89/71/57/205897157.db2.gz KPYPGJGQBKAZSF-GOSISDBHSA-N 1 0 369.534 4.632 50 0 FJAARO C[C@H]1CCC[N@H+](CCOCCOc2ccc(Cl)cc2C(C)(C)C)C1 ZINC000002823137 206157941 /nfs/dbraw/zinc/15/79/41/206157941.db2.gz KBGQVTSMHGPVQX-INIZCTEOSA-N 1 0 353.934 4.765 50 0 FJAARO Brc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000004315272 206173894 /nfs/dbraw/zinc/17/38/94/206173894.db2.gz FIUOBDYGOWCQFC-UHFFFAOYSA-N 1 0 370.294 4.705 50 0 FJAARO CCN(CC)c1ccc2[nH]c(C)c(C[N@H+](C)Cc3ccccc3)c(=O)c2c1 ZINC000008572544 206217930 /nfs/dbraw/zinc/21/79/30/206217930.db2.gz WYJNZNDVDGFJRX-UHFFFAOYSA-N 1 0 363.505 4.727 50 0 FJAARO C[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)c1cccc(Cl)c1 ZINC000003401623 206234623 /nfs/dbraw/zinc/23/46/23/206234623.db2.gz UGEMZLZPQSSQAS-IAQYHMDHSA-N 1 0 374.695 4.737 50 0 FJAARO CCN(Cc1nc2ccccc2s1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106928373 206312193 /nfs/dbraw/zinc/31/21/93/206312193.db2.gz FGWKVWAHBHICAB-IEBWSBKVSA-N 1 0 365.546 4.954 50 0 FJAARO CC(C)[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057529537 206385106 /nfs/dbraw/zinc/38/51/06/206385106.db2.gz LKOPIZBVRYUGLP-VQTJNVASSA-N 1 0 356.897 4.647 50 0 FJAARO COc1ccc2[nH]c3c(c2c1)CN(Cc1ccc([C@@H]2CCCO2)s1)CC3 ZINC000216528366 206359463 /nfs/dbraw/zinc/35/94/63/206359463.db2.gz GCLKGFHTSPVVSZ-FQEVSTJZSA-N 1 0 368.502 4.648 50 0 FJAARO OCCCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000247798238 206564437 /nfs/dbraw/zinc/56/44/37/206564437.db2.gz STBVFILQRARSSR-UHFFFAOYSA-N 1 0 356.897 4.595 50 0 FJAARO Cc1cccc(Cn2cc(C[NH2+]C[C@H](O)c3ccccc3)c3ccccc32)c1 ZINC000247876473 206564669 /nfs/dbraw/zinc/56/46/69/206564669.db2.gz APAQEWARGLBUCF-VWLOTQADSA-N 1 0 370.496 4.821 50 0 FJAARO C[N@H+](Cc1ccccc1NC(=O)[C@@]1(C)CC1(Cl)Cl)C1CCCCC1 ZINC000026129386 211442104 /nfs/dbraw/zinc/44/21/04/211442104.db2.gz SURCZKNFSWLGIQ-GOSISDBHSA-N 1 0 369.336 4.974 50 0 FJAARO COc1ccc(Nc2ncc(C[NH2+][C@@H]3CCc4ccccc43)s2)cc1 ZINC000023429530 211390491 /nfs/dbraw/zinc/39/04/91/211390491.db2.gz MFBVMEIYOQAHNR-LJQANCHMSA-N 1 0 351.475 4.672 50 0 FJAARO C[C@H]1C[C@H](C)C[NH+](CC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C1 ZINC000021718135 211323440 /nfs/dbraw/zinc/32/34/40/211323440.db2.gz SBJSOGKTLDAWQB-HOTGVXAUSA-N 1 0 363.933 4.562 50 0 FJAARO COc1ccc([C@@](O)(CC(C)C)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000021169925 211309019 /nfs/dbraw/zinc/30/90/19/211309019.db2.gz DIYLIMPGTSFMFT-ZEQRLZLVSA-N 1 0 367.533 4.809 50 0 FJAARO COc1cccc(CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000020766617 211294838 /nfs/dbraw/zinc/29/48/38/211294838.db2.gz BURJZWGPYLUROW-UHFFFAOYSA-N 1 0 370.496 4.583 50 0 FJAARO Clc1ccccc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019900157 211261649 /nfs/dbraw/zinc/26/16/49/211261649.db2.gz MUBVYFYOPSTJHM-UHFFFAOYSA-N 1 0 350.893 4.811 50 0 FJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1cccc(OC2CCCC2)c1 ZINC000019874474 211259862 /nfs/dbraw/zinc/25/98/62/211259862.db2.gz HVGIUGFHIKEJRF-QFIPXVFZSA-N 1 0 362.473 4.733 50 0 FJAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000017312241 211184970 /nfs/dbraw/zinc/18/49/70/211184970.db2.gz VDFKPMXXZLAEAU-MRXNPFEDSA-N 1 0 351.469 4.847 50 0 FJAARO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000017311194 211184239 /nfs/dbraw/zinc/18/42/39/211184239.db2.gz NCDNQCQLJMZYPG-AVRDEDQJSA-N 1 0 360.505 4.662 50 0 FJAARO O[C@@H](C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000016477535 211161089 /nfs/dbraw/zinc/16/10/89/211161089.db2.gz UHRUYXHKSMDWLY-NRFANRHFSA-N 1 0 367.876 4.742 50 0 FJAARO CCC[C@@](O)(c1ccc(O)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000016490211 211163061 /nfs/dbraw/zinc/16/30/61/211163061.db2.gz PHQMTFDPHUMHIK-DHIUTWEWSA-N 1 0 353.506 4.650 50 0 FJAARO Clc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000014250993 211089053 /nfs/dbraw/zinc/08/90/53/211089053.db2.gz IKBSEBXVJZKFRI-UHFFFAOYSA-N 1 0 369.921 4.708 50 0 FJAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)c1cccs1 ZINC000014169646 211080575 /nfs/dbraw/zinc/08/05/75/211080575.db2.gz OUMWDQFSKRDQDG-OAHLLOKOSA-N 1 0 352.459 4.830 50 0 FJAARO CC(C)OCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000013721800 211052711 /nfs/dbraw/zinc/05/27/11/211052711.db2.gz BZRGKPWRRGSVLE-UHFFFAOYSA-N 1 0 365.876 4.963 50 0 FJAARO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012992687 211017039 /nfs/dbraw/zinc/01/70/39/211017039.db2.gz YETOIUREXXRDSP-DLBZAZTESA-N 1 0 364.464 4.677 50 0 FJAARO C[C@H]([NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccc(Cl)cc1 ZINC000013040188 211022219 /nfs/dbraw/zinc/02/22/19/211022219.db2.gz ZCGIWGLKICHLQU-CABCVRRESA-N 1 0 374.937 4.908 50 0 FJAARO C[C@@H]([NH2+]CC(=O)N1CC[C@H](C)Sc2ccccc21)c1ccc(Cl)cc1 ZINC000013040191 211022005 /nfs/dbraw/zinc/02/20/05/211022005.db2.gz ZCGIWGLKICHLQU-LSDHHAIUSA-N 1 0 374.937 4.908 50 0 FJAARO Cc1cccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000012872311 211001828 /nfs/dbraw/zinc/00/18/28/211001828.db2.gz BPAOQYLTOUXPAL-LJQANCHMSA-N 1 0 357.885 4.607 50 0 FJAARO CC(C)CC[C@]1(CC[NH2+]Cc2ccc3c(c2)OCO3)CCOC(C)(C)C1 ZINC000002110810 210379901 /nfs/dbraw/zinc/37/99/01/210379901.db2.gz HAJXKEQGBKSSCO-QFIPXVFZSA-N 1 0 361.526 4.907 50 0 FJAARO CCCC(C(=O)OCC[NH+](CC)CC)(c1ccccc1)c1ccccc1 ZINC000001671505 210366530 /nfs/dbraw/zinc/36/65/30/210366530.db2.gz SNTQPLDRUZOSDP-UHFFFAOYSA-N 1 0 353.506 4.658 50 0 in-man FJAARO CCc1c(C(=O)c2ccc(C)cc2)n2c(C)csc2[n+]1-c1ccccc1 ZINC000001498005 210356141 /nfs/dbraw/zinc/35/61/41/210356141.db2.gz QHSOIODAOHUPMN-UHFFFAOYSA-N 1 0 361.490 4.688 50 0 FJAARO COc1ccc([C@@H](O)[C@H](C[NH+]2CCCCCC2)c2ccccc2)cc1F ZINC000001250083 210339861 /nfs/dbraw/zinc/33/98/61/210339861.db2.gz DUCPMFSDYMOYQG-DENIHFKCSA-N 1 0 357.469 4.528 50 0 FJAARO NNc1[nH+]c(-c2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000001198693 210333738 /nfs/dbraw/zinc/33/37/38/210333738.db2.gz QIYDTJYRVYFNCX-UHFFFAOYSA-N 1 0 356.473 4.854 50 0 FJAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1 ZINC000000949040 210294259 /nfs/dbraw/zinc/29/42/59/210294259.db2.gz FBRBRIFDHYRJCL-UHFFFAOYSA-N 1 0 363.461 4.522 50 0 FJAARO CC(C)Oc1ccc([C@@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000822597 210275447 /nfs/dbraw/zinc/27/54/47/210275447.db2.gz CGNFTBAYNOZJGF-XZOQPEGZSA-N 1 0 353.506 4.777 50 0 FJAARO Fc1ccc(C(CCCN2CC[N@@H+]3CCC[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000022032947 220374311 /nfs/dbraw/zinc/37/43/11/220374311.db2.gz IMSNWRMLXLBTEF-QFIPXVFZSA-N 1 0 370.487 4.657 50 0 FJAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3CCc3ccccc3)co2)cc1 ZINC000048303755 221006204 /nfs/dbraw/zinc/00/62/04/221006204.db2.gz IHQXABAQNWDXNK-NRFANRHFSA-N 1 0 362.473 4.947 50 0 FJAARO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000057508769 221090928 /nfs/dbraw/zinc/09/09/28/221090928.db2.gz AAHVOFVHUPKGGC-AUUYWEPGSA-N 1 0 354.450 4.593 50 0 FJAARO C[C@@H]([NH2+][C@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000057508758 221091124 /nfs/dbraw/zinc/09/11/24/221091124.db2.gz AAHVOFVHUPKGGC-KUHUBIRLSA-N 1 0 354.450 4.593 50 0 FJAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cccc2ccccc21 ZINC000058149314 221099792 /nfs/dbraw/zinc/09/97/92/221099792.db2.gz HJOPRBMEJUOYGO-GFCCVEGCSA-N 1 0 358.363 4.546 50 0 FJAARO CCCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000065322371 221200116 /nfs/dbraw/zinc/20/01/16/221200116.db2.gz DTLULBFYTHFETQ-UHFFFAOYSA-N 1 0 370.541 4.663 50 0 FJAARO Cc1nc[nH]c1C[N@@H+]1CC[C@H](c2ccnc(-c3ccc(F)c(Cl)c3)c2)C1 ZINC000065404367 221213374 /nfs/dbraw/zinc/21/33/74/221213374.db2.gz UJCYPTLIIPVFGC-INIZCTEOSA-N 1 0 370.859 4.562 50 0 FJAARO Cc1oc(-c2ccccc2)nc1-c1c(-c2ccccc2)ncn1[C@@H]1CC[NH2+]C1 ZINC000065455008 221220283 /nfs/dbraw/zinc/22/02/83/221220283.db2.gz HBUBDKJTLFRNIH-LJQANCHMSA-N 1 0 370.456 4.715 50 0 FJAARO C[C@H](c1cccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)c1)[NH+](C)C ZINC000067818544 221289975 /nfs/dbraw/zinc/28/99/75/221289975.db2.gz NKCYESCIAKIYBE-QGZVFWFLSA-N 1 0 371.488 4.611 50 0 FJAARO C/C(=C\c1ccco1)C[NH+]1CCC(O)(c2ccc3nc(C)ccc3c2)CC1 ZINC000067756137 221282193 /nfs/dbraw/zinc/28/21/93/221282193.db2.gz ZVUDNRYVQSNCAO-SAPNQHFASA-N 1 0 362.473 4.523 50 0 FJAARO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CCCc1cccnc1)CCO2 ZINC000067774897 221285025 /nfs/dbraw/zinc/28/50/25/221285025.db2.gz WNVJTSCBCHVGHL-UHFFFAOYSA-N 1 0 374.484 4.590 50 0 FJAARO CSc1ccc(-c2nccn2C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000071499206 221350526 /nfs/dbraw/zinc/35/05/26/221350526.db2.gz FWODKLLEKSXYJC-UHFFFAOYSA-N 1 0 364.518 4.504 50 0 FJAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071589475 221352267 /nfs/dbraw/zinc/35/22/67/221352267.db2.gz AUMWVISMPQOZDD-OAHLLOKOSA-N 1 0 351.416 4.582 50 0 FJAARO FC(F)(F)CN1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000071845392 221382614 /nfs/dbraw/zinc/38/26/14/221382614.db2.gz IWIXRIYSHBHQPW-GFCCVEGCSA-N 1 0 374.859 4.795 50 0 FJAARO CC[NH+](CC)CCN1c2ccccc2S[C@H](c2ccccc2)CC1=O ZINC000071770231 221373950 /nfs/dbraw/zinc/37/39/50/221373950.db2.gz HEOHNSKXQPODRH-FQEVSTJZSA-N 1 0 354.519 4.599 50 0 FJAARO Fc1cccc(-c2ccc(N3CCC([NH2+]Cc4cccnc4)CC3)cc2)c1 ZINC000019884105 132893406 /nfs/dbraw/zinc/89/34/06/132893406.db2.gz IAHVIPANLSDCCD-UHFFFAOYSA-N 1 0 361.464 4.646 50 0 FJAARO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc21 ZINC000059369977 136132137 /nfs/dbraw/zinc/13/21/37/136132137.db2.gz WELKZOGJWUTYHD-IBGZPJMESA-N 1 0 370.496 4.734 50 0 FJAARO C[C@@H](Cc1cccnc1)[NH2+]C1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC000063855281 136133084 /nfs/dbraw/zinc/13/30/84/136133084.db2.gz HONLOUBAMIBSFY-FQEVSTJZSA-N 1 0 371.528 4.938 50 0 FJAARO Cc1nc(-c2ccc(N3CCC([NH2+]CCC(F)(F)F)CC3)cc2)cs1 ZINC000023339149 136152568 /nfs/dbraw/zinc/15/25/68/136152568.db2.gz FISFZTQRLSVCCH-UHFFFAOYSA-N 1 0 369.456 4.629 50 0 FJAARO CCN(Cc1c(F)cccc1Cl)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095384148 221888260 /nfs/dbraw/zinc/88/82/60/221888260.db2.gz BQMUFEATOVGXAN-KRWDZBQOSA-N 1 0 374.887 4.608 50 0 FJAARO CCCCCOCC[NH+](CCOCCCCC)CCOCCCCC ZINC000096191749 222071173 /nfs/dbraw/zinc/07/11/73/222071173.db2.gz ABTMVGZCKVQZHG-UHFFFAOYSA-N 1 0 359.595 4.909 50 0 FJAARO Cc1nccn1CCC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000097696152 222205288 /nfs/dbraw/zinc/20/52/88/222205288.db2.gz JBQIJOSLLVYUGE-UHFFFAOYSA-N 1 0 351.416 4.513 50 0 FJAARO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(F)cc2)cc1OCC ZINC000020931996 520295885 /nfs/dbraw/zinc/29/58/85/520295885.db2.gz IDLADVITDJSHDV-UHFFFAOYSA-N 1 0 365.876 4.999 50 0 FJAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000020930242 520296709 /nfs/dbraw/zinc/29/67/09/520296709.db2.gz QNSWJQKHXPKPNC-QGZVFWFLSA-N 1 0 354.277 4.605 50 0 FJAARO CCCOc1c(Cl)cc(C[NH2+]Cc2ccccc2OC)cc1OCC ZINC000020932166 520296730 /nfs/dbraw/zinc/29/67/30/520296730.db2.gz XGRCTXHXFCVDLL-UHFFFAOYSA-N 1 0 363.885 4.826 50 0 FJAARO CC1=C(C)[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)N([C@H](C)CCc2ccccc2)C1=O ZINC000245253567 520841296 /nfs/dbraw/zinc/84/12/96/520841296.db2.gz HVPIHAPTVNHLJF-NMIRTCPBSA-N 1 0 368.565 4.927 50 0 FJAARO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000089905407 522155713 /nfs/dbraw/zinc/15/57/13/522155713.db2.gz YGFWNTPNZCCMGU-INIZCTEOSA-N 1 0 351.446 4.682 50 0 FJAARO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000089361403 523341973 /nfs/dbraw/zinc/34/19/73/523341973.db2.gz FTXMRXHADKSCOT-UHFFFAOYSA-N 1 0 372.512 4.824 50 0 FJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000020889766 524387305 /nfs/dbraw/zinc/38/73/05/524387305.db2.gz SDQGNKCTUJQPEG-UHFFFAOYSA-N 1 0 371.912 4.682 50 0 FJAARO C[C@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1cccc(Br)c1 ZINC000089905151 525477680 /nfs/dbraw/zinc/47/76/80/525477680.db2.gz CUGVIBJJOJYWDL-NHYWBVRUSA-N 1 0 367.312 4.608 50 0 FJAARO O[C@](C[NH2+]Cc1ccccc1Cl)(c1ccccc1)c1ccc(F)cc1 ZINC000020365958 526318735 /nfs/dbraw/zinc/31/87/35/526318735.db2.gz UJPJABBOBGIZLT-OAQYLSRUSA-N 1 0 355.840 4.505 50 0 FJAARO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c1 ZINC000020293902 526380379 /nfs/dbraw/zinc/38/03/79/526380379.db2.gz SUUQGAMPRHWMAT-MRXNPFEDSA-N 1 0 371.406 4.874 50 0 FJAARO c1[nH]c2ccccc2c1CN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000019798700 526393299 /nfs/dbraw/zinc/39/32/99/526393299.db2.gz NEOJMTXWWMBOAV-UHFFFAOYSA-N 1 0 355.485 4.639 50 0 FJAARO Clc1cc(Br)ccc1-c1ccc(C[NH2+]C[C@H]2CCCO2)o1 ZINC000020875625 526925214 /nfs/dbraw/zinc/92/52/14/526925214.db2.gz KOSAWAMBIIUUFD-GFCCVEGCSA-N 1 0 370.674 4.631 50 0 FJAARO Clc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1Cl ZINC000239275111 526946112 /nfs/dbraw/zinc/94/61/12/526946112.db2.gz BEZVXVHCCOVMBX-PMACEKPBSA-N 1 0 367.364 5.222 50 0 FJAARO CC(C)C(=O)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(C)C ZINC000006690643 568031510 /nfs/dbraw/zinc/03/15/10/568031510.db2.gz PVKYGHYGEHQIFI-UHFFFAOYSA-N 1 0 368.308 4.631 50 0 FJAARO Fc1ccccc1OC1CC[NH+](Cc2ccc([C@H]3CCCO3)s2)CC1 ZINC000215861970 568093005 /nfs/dbraw/zinc/09/30/05/568093005.db2.gz CSCQZRLJGPTLRY-LJQANCHMSA-N 1 0 361.482 4.782 50 0 FJAARO O[C@H](c1ccc(Br)cc1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000000819930 568298911 /nfs/dbraw/zinc/29/89/11/568298911.db2.gz NQEUTDJMHPUYIZ-RTBURBONSA-N 1 0 360.295 4.710 50 0 FJAARO C[NH+](C)[C@@H](CNC(=O)c1sccc1-c1ccccc1)c1cccc(F)c1 ZINC000032729659 568398488 /nfs/dbraw/zinc/39/84/88/568398488.db2.gz SVZLADIVKNZKAZ-IBGZPJMESA-N 1 0 368.477 4.587 50 0 FJAARO C[C@H](c1ccccc1)[N@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000032937451 568428845 /nfs/dbraw/zinc/42/88/45/568428845.db2.gz RVMBQMFUNIBPPN-DMZKTXOQSA-N 1 0 356.318 4.794 50 0 FJAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N(Cc1ccsc1)C1CCCC1 ZINC000095390414 570460776 /nfs/dbraw/zinc/46/07/76/570460776.db2.gz JMHYOMMMEYIYNQ-SFHVURJKSA-N 1 0 372.534 4.525 50 0 FJAARO O=C(Nc1ccc(Cl)c2ccccc12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000095517832 570466436 /nfs/dbraw/zinc/46/64/36/570466436.db2.gz DDNXLPPNEBFNTJ-HNNXBMFYSA-N 1 0 357.885 4.585 50 0 FJAARO O=C([C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1cccs1)N1CCCCC1 ZINC000247809018 570492152 /nfs/dbraw/zinc/49/21/52/570492152.db2.gz DBSOKDODALVEDE-AZUAARDMSA-N 1 0 354.519 4.639 50 0 FJAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccc(Cl)cc1 ZINC000001272821 570496837 /nfs/dbraw/zinc/49/68/37/570496837.db2.gz BCWWHRHDKDVRSE-UHFFFAOYSA-N 1 0 356.901 4.644 50 0 FJAARO C[C@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000002735243 570528873 /nfs/dbraw/zinc/52/88/73/570528873.db2.gz SFOSMKKSCGZSAJ-WMZHIEFXSA-N 1 0 362.517 4.690 50 0 FJAARO c1ccc(-c2ccccc2OCCOCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002845413 570536607 /nfs/dbraw/zinc/53/66/07/570536607.db2.gz DKOLTNOMOCFJKI-UHFFFAOYSA-N 1 0 373.496 4.807 50 0 FJAARO Fc1ccc(-c2ccc(C[NH2+]CCCOc3ccccn3)o2)cc1Cl ZINC000113396906 570543901 /nfs/dbraw/zinc/54/39/01/570543901.db2.gz GBESUXHQJOHOGI-UHFFFAOYSA-N 1 0 360.816 4.693 50 0 FJAARO CCOc1c(Cl)cc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1Cl ZINC000113398759 570544272 /nfs/dbraw/zinc/54/42/72/570544272.db2.gz GSCMWAJHLRFTEG-UHFFFAOYSA-N 1 0 364.276 4.601 50 0 FJAARO C[NH+](C)C[C@@H]1CCCC[C@@H]1[C@]1(O)c2ccccc2CSc2ccccc21 ZINC000004128333 570577754 /nfs/dbraw/zinc/57/77/54/570577754.db2.gz DYOKEZUEHYQWMK-LTMIRXACSA-N 1 0 367.558 4.896 50 0 FJAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccc(Cl)cc1 ZINC000004413512 570590209 /nfs/dbraw/zinc/59/02/09/570590209.db2.gz OYLFZTBILRRYIC-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO COc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCc1ccccc1 ZINC000004622013 570597984 /nfs/dbraw/zinc/59/79/84/570597984.db2.gz GZJYHKMPUBEUSL-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)cc1 ZINC000011917270 570601759 /nfs/dbraw/zinc/60/17/59/570601759.db2.gz WDIRJLMHWHERNY-FQEVSTJZSA-N 1 0 374.912 4.552 50 0 FJAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1cccc(C)c1 ZINC000005019829 570618425 /nfs/dbraw/zinc/61/84/25/570618425.db2.gz ZNSYFEPVEDKUHC-UHFFFAOYSA-N 1 0 353.487 4.934 50 0 FJAARO C[NH+](C)CCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c21 ZINC000005347486 570649673 /nfs/dbraw/zinc/64/96/73/570649673.db2.gz NRLZAVKKYXUDSC-UHFFFAOYSA-N 1 0 358.445 4.530 50 0 FJAARO C[NH+](C)Cc1ccc([C@@]2(O)c3ccccc3CSc3ccccc32)cc1 ZINC000006637780 570651078 /nfs/dbraw/zinc/65/10/78/570651078.db2.gz DMVZIBMGJAPFSA-HSZRJFAPSA-N 1 0 361.510 4.638 50 0 FJAARO CCCCOc1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000006667512 570651364 /nfs/dbraw/zinc/65/13/64/570651364.db2.gz UCHRPFCIZJMCGD-UHFFFAOYSA-N 1 0 352.522 4.805 50 0 FJAARO COc1ccc(C[NH2+]Cc2cccc(OC)c2OCc2ccccc2)cc1 ZINC000007538314 570665872 /nfs/dbraw/zinc/66/58/72/570665872.db2.gz IPSFVJUVMNYEIV-UHFFFAOYSA-N 1 0 363.457 4.573 50 0 FJAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCCc1ccccc1 ZINC000007540068 570666336 /nfs/dbraw/zinc/66/63/36/570666336.db2.gz LEFWXGYEMMOTEX-UHFFFAOYSA-N 1 0 361.485 4.649 50 0 FJAARO COc1cccc(C[NH2+]CCc2ccccc2)c1OCc1ccccc1F ZINC000008495662 570682309 /nfs/dbraw/zinc/68/23/09/570682309.db2.gz LQEVJONTQSRREV-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO CC(C)[C@@H]1C[C@](CC[NH2+]Cc2ccccn2)(Cc2ccccc2)CCO1 ZINC000008993027 570686311 /nfs/dbraw/zinc/68/63/11/570686311.db2.gz BZGWPDMFUVTYRS-GOTSBHOMSA-N 1 0 352.522 4.625 50 0 FJAARO Clc1ccc([C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)C2CC2)cc1 ZINC000180011526 570688298 /nfs/dbraw/zinc/68/82/98/570688298.db2.gz KAOGYOMIMIKTEE-OAQYLSRUSA-N 1 0 351.881 4.826 50 0 FJAARO Clc1ccc(-c2ccc(C[NH2+]CCCn3ccnc3)o2)c(Cl)c1 ZINC000010314108 570699880 /nfs/dbraw/zinc/69/98/80/570699880.db2.gz DPEXLFCTSVKPOZ-UHFFFAOYSA-N 1 0 350.249 4.630 50 0 FJAARO CC[C@H](CO)[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000010315537 570699932 /nfs/dbraw/zinc/69/99/32/570699932.db2.gz QEALUZVSOKJTOY-QGZVFWFLSA-N 1 0 356.897 4.512 50 0 FJAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)cc1 ZINC000011874373 570710913 /nfs/dbraw/zinc/71/09/13/570710913.db2.gz GYADGFRVILIPIL-SFHVURJKSA-N 1 0 364.514 4.985 50 0 FJAARO Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]C2CCSCC2)cc1 ZINC000011999109 570713549 /nfs/dbraw/zinc/71/35/49/570713549.db2.gz CDDHIDRRFKQKOI-LJQANCHMSA-N 1 0 355.551 4.679 50 0 FJAARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(-c3ccco3)cc2)C1 ZINC000012053103 570715617 /nfs/dbraw/zinc/71/56/17/570715617.db2.gz DVCFVXGCZULIGM-XMMPIXPASA-N 1 0 361.485 4.764 50 0 FJAARO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(-c3ccco3)cc2)C1 ZINC000012053106 570715642 /nfs/dbraw/zinc/71/56/42/570715642.db2.gz DVCFVXGCZULIGM-DEOSSOPVSA-N 1 0 361.485 4.764 50 0 FJAARO COc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000012246590 570731307 /nfs/dbraw/zinc/73/13/07/570731307.db2.gz MGCGZYIVJFIUEE-UHFFFAOYSA-N 1 0 353.491 4.526 50 0 FJAARO COCC[N@H+](Cc1nc(-c2ccc(OC)c3ccccc23)oc1C)C(C)C ZINC000012298047 570732655 /nfs/dbraw/zinc/73/26/55/570732655.db2.gz YGHZVEJIPVJRBB-UHFFFAOYSA-N 1 0 368.477 4.669 50 0 FJAARO Cc1oc(-c2ccco2)nc1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000012299593 570733251 /nfs/dbraw/zinc/73/32/51/570733251.db2.gz VCGFOEXCZWOBJY-SFHVURJKSA-N 1 0 351.450 4.625 50 0 FJAARO Cc1cccc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)n1 ZINC000012305237 570734793 /nfs/dbraw/zinc/73/47/93/570734793.db2.gz OYONVECLHQWXFP-HXUWFJFHSA-N 1 0 360.505 4.687 50 0 FJAARO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccc(-n3cccn3)cc2)cc1C ZINC000012305984 570734846 /nfs/dbraw/zinc/73/48/46/570734846.db2.gz JADVXOWQKQWGAB-UHFFFAOYSA-N 1 0 371.488 4.511 50 0 FJAARO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012305071 570734963 /nfs/dbraw/zinc/73/49/63/570734963.db2.gz DNTGSFAWVLLJCK-JOCHJYFZSA-N 1 0 356.469 4.844 50 0 FJAARO Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000012317560 570736279 /nfs/dbraw/zinc/73/62/79/570736279.db2.gz UFSIXQLWANASGS-FQEVSTJZSA-N 1 0 366.896 4.807 50 0 FJAARO COCc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)o1 ZINC000012373742 570740109 /nfs/dbraw/zinc/74/01/09/570740109.db2.gz DLROLLGNAWCZEA-SFHVURJKSA-N 1 0 369.505 4.818 50 0 FJAARO FC(F)Oc1ccc(-c2cn3c([n+]2-c2ccccc2)CCCCC3)cc1 ZINC000012436429 570745275 /nfs/dbraw/zinc/74/52/75/570745275.db2.gz GIUKQCJYGIWLDY-UHFFFAOYSA-N 1 0 355.408 4.760 50 0 FJAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3cccc4cnccc43)c2C)cc1 ZINC000012480552 570748618 /nfs/dbraw/zinc/74/86/18/570748618.db2.gz VCVWDVOYQVEBOQ-MRXNPFEDSA-N 1 0 372.472 4.588 50 0 FJAARO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCCC[C@@H]3C)c2)cc1 ZINC000017311177 570748984 /nfs/dbraw/zinc/74/89/84/570748984.db2.gz ZSIAIRUKTYEKAC-KKSFZXQISA-N 1 0 352.478 4.616 50 0 FJAARO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000012580668 570751471 /nfs/dbraw/zinc/75/14/71/570751471.db2.gz DVUHVMAAXIQTMB-VQLVADFHSA-N 1 0 373.899 4.810 50 0 FJAARO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2C)cnn1-c1ccccc1 ZINC000012583712 570751942 /nfs/dbraw/zinc/75/19/42/570751942.db2.gz IBSYDUDBUBNKRE-SFHVURJKSA-N 1 0 371.488 4.526 50 0 FJAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(CO)(CCOc3ccccc3)CC1)=CC2 ZINC000012591774 570752324 /nfs/dbraw/zinc/75/23/24/570752324.db2.gz MDVSSDSTUIFSDF-UNMCSNQZSA-N 1 0 369.549 4.522 50 0 FJAARO COc1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 ZINC000012593215 570752564 /nfs/dbraw/zinc/75/25/64/570752564.db2.gz ONLAKLBOHLFOBT-OAQYLSRUSA-N 1 0 361.489 4.665 50 0 FJAARO Cn1cc(C[N@H+](C)C2CCOCC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012596498 570753010 /nfs/dbraw/zinc/75/30/10/570753010.db2.gz DTKINLIRKMPWRU-UHFFFAOYSA-N 1 0 367.537 4.746 50 0 FJAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](CC2CC2)CC1 ZINC000012612687 570753558 /nfs/dbraw/zinc/75/35/58/570753558.db2.gz DRGDEPWNGHGEPW-UHFFFAOYSA-N 1 0 352.453 4.553 50 0 FJAARO Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2[NH2+]C1CCSCC1 ZINC000012707900 570757245 /nfs/dbraw/zinc/75/72/45/570757245.db2.gz RVRNGRSHRUUEJS-SFHVURJKSA-N 1 0 355.551 4.679 50 0 FJAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C ZINC000012761402 570760580 /nfs/dbraw/zinc/76/05/80/570760580.db2.gz BEKYWIQELIMHPI-SFHVURJKSA-N 1 0 372.509 4.666 50 0 FJAARO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3ccccc3C)ccc2c1 ZINC000012992656 570771244 /nfs/dbraw/zinc/77/12/44/570771244.db2.gz OMWCBVVMQGPNTL-QGZVFWFLSA-N 1 0 362.473 4.616 50 0 FJAARO CCOc1cccc(C[NH2+]CCCOC(C)C)c1OCc1ccccc1 ZINC000013721981 570786773 /nfs/dbraw/zinc/78/67/73/570786773.db2.gz GUPBHIYMJZHMLR-UHFFFAOYSA-N 1 0 357.494 4.569 50 0 FJAARO CCOc1c(C[NH2+]CCC2=CCCCC2)cc(Br)cc1OC ZINC000013724007 570787167 /nfs/dbraw/zinc/78/71/67/570787167.db2.gz HNBBPXVJKKMYQS-UHFFFAOYSA-N 1 0 368.315 4.837 50 0 FJAARO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000013768509 570790301 /nfs/dbraw/zinc/79/03/01/570790301.db2.gz HMOJGKUPOBIJBW-WXFUMESZSA-N 1 0 365.517 4.872 50 0 FJAARO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[N@H+](C)Cc1ccccc1 ZINC000008714166 570796498 /nfs/dbraw/zinc/79/64/98/570796498.db2.gz ZWQNWZNRNIVMTD-UHFFFAOYSA-N 1 0 371.278 4.643 50 0 FJAARO COc1cc(Br)cc(C[NH2+]C(C)C)c1OCc1ccccc1 ZINC000010436438 570803851 /nfs/dbraw/zinc/80/38/51/570803851.db2.gz BNYVNQPANJVADS-UHFFFAOYSA-N 1 0 364.283 4.535 50 0 FJAARO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1 ZINC000014186849 570810833 /nfs/dbraw/zinc/81/08/33/570810833.db2.gz PHDTZFOVUQUUTH-QGZVFWFLSA-N 1 0 372.447 4.924 50 0 FJAARO CCCn1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)c1C ZINC000014972970 570827241 /nfs/dbraw/zinc/82/72/41/570827241.db2.gz NGCKLWRBBJFDMQ-KRWDZBQOSA-N 1 0 373.928 4.658 50 0 FJAARO O=C(NC[C@@H]1CCC[N@@H+](C2CCCCC2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000015077016 570832099 /nfs/dbraw/zinc/83/20/99/570832099.db2.gz XXNGTJSEYIWZRC-KRWDZBQOSA-N 1 0 374.956 4.533 50 0 FJAARO C/C(=C/c1ccccc1)[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C(C)C)C3 ZINC000004554083 570833619 /nfs/dbraw/zinc/83/36/19/570833619.db2.gz MCTAXHIAVFVFTN-KWRJMZDGSA-N 1 0 367.518 4.674 50 0 FJAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000015581990 570840887 /nfs/dbraw/zinc/84/08/87/570840887.db2.gz YDSCCYBDCWDIHL-UHFFFAOYSA-N 1 0 373.422 4.857 50 0 FJAARO C[N@H+](Cc1ccccc1NC(=O)Cc1ccc(F)cc1)C1CCCCC1 ZINC000032903619 570842173 /nfs/dbraw/zinc/84/21/73/570842173.db2.gz YQSJQNYDJXJRHS-UHFFFAOYSA-N 1 0 354.469 4.771 50 0 FJAARO CC1CC[NH+]([C@@H](CNC(=O)C(C)(C)c2ccccc2)c2cccs2)CC1 ZINC000032903735 570842186 /nfs/dbraw/zinc/84/21/86/570842186.db2.gz QGLOGOJAZYHZFN-IBGZPJMESA-N 1 0 370.562 4.615 50 0 FJAARO Fc1ccc(CC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000016399579 570855694 /nfs/dbraw/zinc/85/56/94/570855694.db2.gz VWKZFEORZMTKLH-UHFFFAOYSA-N 1 0 353.412 4.876 50 0 FJAARO Fc1ccccc1CC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000016449556 570856365 /nfs/dbraw/zinc/85/63/65/570856365.db2.gz UHPKJXCFYUPZIB-UHFFFAOYSA-N 1 0 353.412 4.876 50 0 FJAARO O[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 ZINC000016477471 570857179 /nfs/dbraw/zinc/85/71/79/570857179.db2.gz UPZQINKDOGJFGH-QFIPXVFZSA-N 1 0 367.876 4.742 50 0 FJAARO C[NH+](C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 ZINC000016599414 570858530 /nfs/dbraw/zinc/85/85/30/570858530.db2.gz UMSIVOZISBQTLO-HNNXBMFYSA-N 1 0 358.894 4.587 50 0 FJAARO CCC[NH+]1CCC(NC(=O)c2csc(C)c2-c2ccc(C)cc2)CC1 ZINC000016604774 570858681 /nfs/dbraw/zinc/85/86/81/570858681.db2.gz VQTJTEWLHMQPBX-UHFFFAOYSA-N 1 0 356.535 4.636 50 0 FJAARO Cc1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1C ZINC000016956689 570863561 /nfs/dbraw/zinc/86/35/61/570863561.db2.gz ZKJHRTXINALLQH-UHFFFAOYSA-N 1 0 365.884 4.542 50 0 FJAARO CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)[C@H](C)c1cccc(OC)c1 ZINC000032937634 570878358 /nfs/dbraw/zinc/87/83/58/570878358.db2.gz OGBWBEWJHMOBKX-MRXNPFEDSA-N 1 0 374.912 4.987 50 0 FJAARO c1[nH]c2ccccc2c1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019360185 570887500 /nfs/dbraw/zinc/88/75/00/570887500.db2.gz UCUYMXSMUBCWGS-UHFFFAOYSA-N 1 0 355.485 4.639 50 0 FJAARO Fc1ccc(F)c(-c2c[nH]nc2[C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)c1 ZINC000019535664 570892040 /nfs/dbraw/zinc/89/20/40/570892040.db2.gz IHNDGWAXWUSDLN-JKSUJKDBSA-N 1 0 357.448 4.891 50 0 FJAARO c1ccc(-c2ccc(-c3n[nH]c4c3C[N@H+]([C@@H]3CCSC3)CC4)cc2)cc1 ZINC000019782048 570902827 /nfs/dbraw/zinc/90/28/27/570902827.db2.gz UPFVSNIYMCQBOE-LJQANCHMSA-N 1 0 361.514 4.607 50 0 FJAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000021720816 570933970 /nfs/dbraw/zinc/93/39/70/570933970.db2.gz ANDDFFVAQPJWJP-GOSISDBHSA-N 1 0 350.466 4.581 50 0 FJAARO CC[C@H](C)[NH2+]C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000005061681 570935093 /nfs/dbraw/zinc/93/50/93/570935093.db2.gz CRSBMRJNJIXPFW-WFASDCNBSA-N 1 0 365.304 4.850 50 0 FJAARO O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000048324869 570946183 /nfs/dbraw/zinc/94/61/83/570946183.db2.gz FENQYTGYXJBMOT-QGZVFWFLSA-N 1 0 373.566 4.813 50 0 FJAARO CC[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000022619739 570947580 /nfs/dbraw/zinc/94/75/80/570947580.db2.gz VPRVWFIOXRTXLG-NQIIRXRSSA-N 1 0 370.924 4.787 50 0 FJAARO CSc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222438 571011236 /nfs/dbraw/zinc/01/12/36/571011236.db2.gz HYLKUCDLKLDKIU-OAQYLSRUSA-N 1 0 363.530 4.821 50 0 FJAARO Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000027793190 571020986 /nfs/dbraw/zinc/02/09/86/571020986.db2.gz RAKINUHFLFGWDX-JOCHJYFZSA-N 1 0 364.533 4.859 50 0 FJAARO Clc1ccccc1OCCCn1c2ccccc2nc1C[NH+]1CCCC1 ZINC000027789166 571021092 /nfs/dbraw/zinc/02/10/92/571021092.db2.gz PUXKIMQXEXLZEN-UHFFFAOYSA-N 1 0 369.896 4.755 50 0 FJAARO Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)sc2c1 ZINC000028288114 571029130 /nfs/dbraw/zinc/02/91/30/571029130.db2.gz OTSWLDOTQNERAH-MRXNPFEDSA-N 1 0 372.921 4.896 50 0 FJAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000028289712 571029503 /nfs/dbraw/zinc/02/95/03/571029503.db2.gz VTJIJJXGEPKXQF-HXUWFJFHSA-N 1 0 364.489 4.699 50 0 FJAARO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000028296791 571031396 /nfs/dbraw/zinc/03/13/96/571031396.db2.gz ZHNJYJRWQXTHLL-QINHECLXSA-N 1 0 374.956 4.703 50 0 FJAARO CC(C)[C@@H]([NH2+]CC(=O)N[C@H](C)c1cc2ccccc2o1)c1cccs1 ZINC000029203210 571037329 /nfs/dbraw/zinc/03/73/29/571037329.db2.gz IBDLUBVPACLUBG-JLTOFOAXSA-N 1 0 356.491 4.658 50 0 FJAARO O=C(C[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000031560522 571054857 /nfs/dbraw/zinc/05/48/57/571054857.db2.gz BATDJYIYGYYDHD-DEOSSOPVSA-N 1 0 370.496 4.823 50 0 FJAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000008862548 571063635 /nfs/dbraw/zinc/06/36/35/571063635.db2.gz URINTBWRYSKEDR-MRXNPFEDSA-N 1 0 369.317 4.622 50 0 FJAARO Cc1c2cccc(C)c2oc1C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000072306394 571063710 /nfs/dbraw/zinc/06/37/10/571063710.db2.gz RCRZYCLVILZBPU-UHFFFAOYSA-N 1 0 374.484 4.848 50 0 FJAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)c2ccccc2n3CC)C1 ZINC000001227468 571069768 /nfs/dbraw/zinc/06/97/68/571069768.db2.gz ANBLDXXOGVVWAX-SFHVURJKSA-N 1 0 364.489 4.590 50 0 FJAARO COc1ccc(CC[N@H+](C)C2CCC(c3ccccc3)CC2)cc1OC ZINC000004989370 571072965 /nfs/dbraw/zinc/07/29/65/571072965.db2.gz XYRMSVKZPVYWEB-UHFFFAOYSA-N 1 0 353.506 4.905 50 0 FJAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cc2ccccc2o1 ZINC000012763321 571083175 /nfs/dbraw/zinc/08/31/75/571083175.db2.gz SOZMKBDSEIYYES-QGZVFWFLSA-N 1 0 362.473 4.910 50 0 FJAARO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000040720636 571092213 /nfs/dbraw/zinc/09/22/13/571092213.db2.gz MNWDAKKQYIBYPD-NRFANRHFSA-N 1 0 372.940 4.801 50 0 FJAARO Fc1ccc(COc2ccc(C[NH2+]Cc3ccccn3)cc2)c(Cl)c1 ZINC000040722841 571093104 /nfs/dbraw/zinc/09/31/04/571093104.db2.gz GWLDHZURVIGTDD-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO Cc1cccc(COc2ccccc2C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000040731423 571093930 /nfs/dbraw/zinc/09/39/30/571093930.db2.gz FEMIPMNIPOETAP-UHFFFAOYSA-N 1 0 361.441 4.593 50 0 FJAARO COCCC[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731900 571094425 /nfs/dbraw/zinc/09/44/25/571094425.db2.gz OCVUCRCJGDRDDI-UHFFFAOYSA-N 1 0 354.277 4.699 50 0 FJAARO COc1ccccc1CC[NH2+]Cc1ccccc1OCc1ccccc1C ZINC000040731680 571094441 /nfs/dbraw/zinc/09/44/41/571094441.db2.gz PHFBRZADFFZKQG-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO Fc1cccc(Cl)c1COc1ccccc1C[NH2+]Cc1ccncc1 ZINC000040732284 571094526 /nfs/dbraw/zinc/09/45/26/571094526.db2.gz JRTMOLMVTCEAPR-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO Clc1ccc(COc2ccccc2C[NH2+]C[C@H]2CCCO2)cc1Cl ZINC000040732379 571094532 /nfs/dbraw/zinc/09/45/32/571094532.db2.gz IOJMYGYDMYYMBG-MRXNPFEDSA-N 1 0 366.288 4.841 50 0 FJAARO C[C@H](CNC(=S)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000245224813 571094596 /nfs/dbraw/zinc/09/45/96/571094596.db2.gz FODGSWMIZSILCB-VXGBXAGGSA-N 1 0 360.354 4.543 50 0 FJAARO COCC[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040735732 571094794 /nfs/dbraw/zinc/09/47/94/571094794.db2.gz VXPREKXWFMIUHH-UHFFFAOYSA-N 1 0 373.855 4.947 50 0 FJAARO Fc1ccc(COc2cccc(C[NH2+]Cc3ccccn3)c2)c(Cl)c1 ZINC000040738625 571095321 /nfs/dbraw/zinc/09/53/21/571095321.db2.gz ZMDVTUXVVWXOCU-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO OCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743830 571095945 /nfs/dbraw/zinc/09/59/45/571095945.db2.gz CPYMXWBOYXLBKF-UHFFFAOYSA-N 1 0 374.695 4.698 50 0 FJAARO CC(C)(CO)[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743307 571096164 /nfs/dbraw/zinc/09/61/64/571096164.db2.gz RMXHFHCEBXIKCR-UHFFFAOYSA-N 1 0 372.267 4.572 50 0 FJAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000012778755 571097128 /nfs/dbraw/zinc/09/71/28/571097128.db2.gz QEKNDLQXVJKLBT-MRXNPFEDSA-N 1 0 356.897 4.817 50 0 FJAARO CC[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(C)cc2)CC1 ZINC000015679799 571103356 /nfs/dbraw/zinc/10/33/56/571103356.db2.gz VJJVSLWAYABXGV-UHFFFAOYSA-N 1 0 369.484 4.653 50 0 FJAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2cccc(C)c2C)CC1 ZINC000015679743 571103368 /nfs/dbraw/zinc/10/33/68/571103368.db2.gz ZGBYYVBZSOFSFG-UHFFFAOYSA-N 1 0 371.550 4.883 50 0 FJAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(C)cc1 ZINC000044935795 571105171 /nfs/dbraw/zinc/10/51/71/571105171.db2.gz QTLBTQNDHRDJAT-JOCHJYFZSA-N 1 0 368.496 4.614 50 0 FJAARO FC(F)(F)c1cccc(-c2ccc(C[NH2+]CCOc3ccccn3)o2)c1 ZINC000057354907 571122332 /nfs/dbraw/zinc/12/23/32/571122332.db2.gz PPQFHPSHYMLLNB-UHFFFAOYSA-N 1 0 362.351 4.529 50 0 FJAARO Cc1cccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1C ZINC000010139643 571122904 /nfs/dbraw/zinc/12/29/04/571122904.db2.gz QXZYMGNPEYSDOK-UHFFFAOYSA-N 1 0 361.489 4.603 50 0 FJAARO CCOc1ccc(C[N@H+](C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 ZINC000058167031 571126771 /nfs/dbraw/zinc/12/67/71/571126771.db2.gz DBEJZLUDGBFZMF-UHFFFAOYSA-N 1 0 371.864 4.786 50 0 FJAARO COc1ccc(CC[NH2+]Cc2cn(C(C)C)c3ccccc23)cc1OC ZINC000247977225 571127170 /nfs/dbraw/zinc/12/71/70/571127170.db2.gz GCCWHFKNYULOQV-UHFFFAOYSA-N 1 0 352.478 4.572 50 0 FJAARO CC[C@@H](C)[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248249215 571128687 /nfs/dbraw/zinc/12/86/87/571128687.db2.gz RNHXEEUUOSDJOD-OAHLLOKOSA-N 1 0 354.885 4.535 50 0 FJAARO CC(C)CC[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000248250864 571128843 /nfs/dbraw/zinc/12/88/43/571128843.db2.gz ITYMKRRAOSGNJX-UHFFFAOYSA-N 1 0 368.912 4.783 50 0 FJAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(OCC)cc3)c2c1 ZINC000000952829 571140335 /nfs/dbraw/zinc/14/03/35/571140335.db2.gz NXXDUUXHMDLGPK-UHFFFAOYSA-N 1 0 350.418 4.862 50 0 FJAARO O=C(Nc1ccccc1Oc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000047346329 571142920 /nfs/dbraw/zinc/14/29/20/571142920.db2.gz GAVMCXIRZGNEEQ-UHFFFAOYSA-N 1 0 365.477 4.571 50 0 FJAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccsc1 ZINC000025330594 571143471 /nfs/dbraw/zinc/14/34/71/571143471.db2.gz GEXAWVDCIDANSE-INIZCTEOSA-N 1 0 374.506 4.648 50 0 FJAARO Cc1nc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)oc1-c1ccc(Cl)cc1 ZINC000075109103 571155766 /nfs/dbraw/zinc/15/57/66/571155766.db2.gz LFYAKGRXZYAGFD-IBGZPJMESA-N 1 0 367.880 4.990 50 0 FJAARO COc1cc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)ccc1O ZINC000071776538 571166538 /nfs/dbraw/zinc/16/65/38/571166538.db2.gz ZZPODXSRTODJKZ-HNNXBMFYSA-N 1 0 361.432 4.524 50 0 FJAARO COc1ccc(C(C)(C)C)cc1NC(=O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000006022940 571170865 /nfs/dbraw/zinc/17/08/65/571170865.db2.gz MGMZYAITGWMTEP-LJQANCHMSA-N 1 0 366.505 4.598 50 0 FJAARO Cc1cccc(OCC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000013010013 571188289 /nfs/dbraw/zinc/18/82/89/571188289.db2.gz WKPDBGGXAUIWAB-UHFFFAOYSA-N 1 0 366.505 4.777 50 0 FJAARO Cc1ccc(C)c(NC(=O)[C@H](C)N2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000013017393 571189563 /nfs/dbraw/zinc/18/95/63/571189563.db2.gz WODCWTHSDBAFBS-SFHVURJKSA-N 1 0 373.500 4.901 50 0 FJAARO CC[N@H+](C)CCN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000072408968 571191446 /nfs/dbraw/zinc/19/14/46/571191446.db2.gz UVEUOJCGJJGXMD-UHFFFAOYSA-N 1 0 369.896 4.512 50 0 FJAARO C[S@@](=O)c1ccc(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)cc1 ZINC000091377281 571193002 /nfs/dbraw/zinc/19/30/02/571193002.db2.gz OPZPPYUQQSQXAT-MBSDFSHPSA-N 1 0 368.329 4.972 50 0 FJAARO Cc1nc(C)c(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)s1 ZINC000299762212 571193699 /nfs/dbraw/zinc/19/36/99/571193699.db2.gz MCYYXWSFPFWZPH-BBWFWOEESA-N 1 0 366.490 4.503 50 0 FJAARO CCCCN(C)c1nc(SC)ncc1C[NH2+][C@@H](C)CCCC(C)C ZINC000022317133 571201599 /nfs/dbraw/zinc/20/15/99/571201599.db2.gz MXRZGOKYYHSUDX-INIZCTEOSA-N 1 0 352.592 4.739 50 0 FJAARO CC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035840588 571206355 /nfs/dbraw/zinc/20/63/55/571206355.db2.gz FRLOKEXGTYTPDM-HSZRJFAPSA-N 1 0 372.528 4.829 50 0 FJAARO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000089517379 571206792 /nfs/dbraw/zinc/20/67/92/571206792.db2.gz OYTOMXNSICLWAG-KDOFPFPSSA-N 1 0 350.487 4.827 50 0 FJAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccc3cccnc32)cc1 ZINC000077385480 571209649 /nfs/dbraw/zinc/20/96/49/571209649.db2.gz DXTHQNRORSBOGL-JOCHJYFZSA-N 1 0 373.500 4.664 50 0 FJAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc3cccnc32)cc1 ZINC000077385478 571209684 /nfs/dbraw/zinc/20/96/84/571209684.db2.gz DXTHQNRORSBOGL-QFIPXVFZSA-N 1 0 373.500 4.664 50 0 FJAARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccccc2-c2ccco2)C1 ZINC000077405946 571210232 /nfs/dbraw/zinc/21/02/32/571210232.db2.gz CEZHKVHXIFAUAI-XMMPIXPASA-N 1 0 361.485 4.764 50 0 FJAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)cc1 ZINC000077453523 571211933 /nfs/dbraw/zinc/21/19/33/571211933.db2.gz ACZHQARTWWVWFJ-HSZRJFAPSA-N 1 0 373.500 4.664 50 0 FJAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000022591807 571217175 /nfs/dbraw/zinc/21/71/75/571217175.db2.gz IGBSUBJLAWCVTB-UHFFFAOYSA-N 1 0 370.500 4.532 50 0 FJAARO CC(C)(C)[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc2ccccc2o1 ZINC000097049256 571226980 /nfs/dbraw/zinc/22/69/80/571226980.db2.gz QWSFVUGUVVJQFH-OAQYLSRUSA-N 1 0 366.509 4.670 50 0 FJAARO CNC(=O)c1cc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)ccc1Cl ZINC000426667608 571234565 /nfs/dbraw/zinc/23/45/65/571234565.db2.gz QOZDHMWZTNMBNC-HNNXBMFYSA-N 1 0 356.897 4.914 50 0 FJAARO FC(F)(F)c1nccc(NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000091391232 571239272 /nfs/dbraw/zinc/23/92/72/571239272.db2.gz RUCAMUDEANPEFS-INIZCTEOSA-N 1 0 364.415 4.525 50 0 FJAARO COc1cc(OC)cc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)c1 ZINC000036347429 571248586 /nfs/dbraw/zinc/24/85/86/571248586.db2.gz XHTBCMJGFPRNSC-QHCPKHFHSA-N 1 0 362.473 4.501 50 0 FJAARO COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1Cc1ccc(C)cc1 ZINC000006922840 571254675 /nfs/dbraw/zinc/25/46/75/571254675.db2.gz MRYHAXJYGJIWLN-YFNKSVMNSA-N 1 0 365.517 4.872 50 0 FJAARO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000007378058 571264500 /nfs/dbraw/zinc/26/45/00/571264500.db2.gz YVQBIZCBGWTVKB-OAQYLSRUSA-N 1 0 352.478 4.641 50 0 FJAARO Cc1noc(C)c1C[C@@H](C)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000170601676 571267030 /nfs/dbraw/zinc/26/70/30/571267030.db2.gz GEVBACFDJOHSGY-CYBMUJFWSA-N 1 0 354.416 4.854 50 0 FJAARO CC[NH+](CC)[C@H](C(=O)Nc1cc(-c2ncco2)ccc1C)c1ccccc1 ZINC000089618397 571272334 /nfs/dbraw/zinc/27/23/34/571272334.db2.gz VJGFXQRALWZXHX-FQEVSTJZSA-N 1 0 363.461 4.672 50 0 FJAARO C[C@@H]1CCC[N@H+](CCCCOc2ccc(Br)cc2Cl)C1 ZINC000002824903 571275757 /nfs/dbraw/zinc/27/57/57/571275757.db2.gz KYUJTORQOPNBTE-CYBMUJFWSA-N 1 0 360.723 4.993 50 0 FJAARO COc1ccc(C[NH2+]CC[C@@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1OC ZINC000002106271 571277663 /nfs/dbraw/zinc/27/76/63/571277663.db2.gz YNIYTXHJCHUJKZ-OALUTQOASA-N 1 0 363.542 4.661 50 0 FJAARO C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21)c1cc2ccccc2o1 ZINC000007583322 571277735 /nfs/dbraw/zinc/27/77/35/571277735.db2.gz IEZHWEMEHSASTR-OXQOHEQNSA-N 1 0 362.473 4.619 50 0 FJAARO Clc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222521 571280482 /nfs/dbraw/zinc/28/04/82/571280482.db2.gz XAEDATRFRALGNI-HXUWFJFHSA-N 1 0 351.881 4.752 50 0 FJAARO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000037560360 571287950 /nfs/dbraw/zinc/28/79/50/571287950.db2.gz PHVMZPJGMUKMGE-UHFFFAOYSA-N 1 0 368.496 4.932 50 0 FJAARO Cc1cccc(C[NH+]2CCC(N(C(=O)C(C)C)c3ccc(F)cc3)CC2)c1 ZINC000037560471 571288005 /nfs/dbraw/zinc/28/80/05/571288005.db2.gz ROPXASXNANLODI-UHFFFAOYSA-N 1 0 368.496 4.788 50 0 FJAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)C1 ZINC000095422095 571329490 /nfs/dbraw/zinc/32/94/90/571329490.db2.gz PTHJUCNHWFUTHB-JZXOWHBKSA-N 1 0 357.567 4.927 50 0 FJAARO FC(F)(F)c1cccc(C[NH2+]Cc2c(C3CC3)nc3sccn23)c1 ZINC000095428440 571329530 /nfs/dbraw/zinc/32/95/30/571329530.db2.gz IJWHQGQUGJKRCE-UHFFFAOYSA-N 1 0 351.397 4.582 50 0 FJAARO C[C@H](c1ccccn1)[N@H+](Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000095456010 571329989 /nfs/dbraw/zinc/32/99/89/571329989.db2.gz NXFLSYVFVRKBOW-GOSISDBHSA-N 1 0 369.468 4.687 50 0 FJAARO CCC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000021169884 571333489 /nfs/dbraw/zinc/33/34/89/571333489.db2.gz CKROAUPDLQCLRP-XZOQPEGZSA-N 1 0 353.506 4.563 50 0 FJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N(c1ccccc1)c1ccccc1 ZINC000096028176 571334180 /nfs/dbraw/zinc/33/41/80/571334180.db2.gz BARWNAQTOFVURO-LJQANCHMSA-N 1 0 351.494 4.799 50 0 FJAARO Fc1ccccc1Nc1ncc2c(n1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000021639675 571335256 /nfs/dbraw/zinc/33/52/56/571335256.db2.gz VYHIEDYCCCSBMI-UHFFFAOYSA-N 1 0 368.843 4.571 50 0 FJAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c(Cl)c1 ZINC000021718083 571335859 /nfs/dbraw/zinc/33/58/59/571335859.db2.gz AJDMAHPQTMZRFC-UHFFFAOYSA-N 1 0 363.933 4.624 50 0 FJAARO C[C@H]([NH2+]Cc1ccc(OCc2cccs2)cc1)[C@H](O)c1ccccc1 ZINC000022076413 571336393 /nfs/dbraw/zinc/33/63/93/571336393.db2.gz AHZFATVSQZPAEZ-KKSFZXQISA-N 1 0 353.487 4.539 50 0 FJAARO CSC1=[NH+]C(C)(C)C[C@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000002501009 571337551 /nfs/dbraw/zinc/33/75/51/571337551.db2.gz IKQVAWAYEBGDCK-NQIIRXRSSA-N 1 0 368.502 4.602 50 0 FJAARO Cc1ccccc1NC(=S)N(CCC(C)C)C1CC[NH+](C(C)C)CC1 ZINC000002933506 571341909 /nfs/dbraw/zinc/34/19/09/571341909.db2.gz MHPKDBLTDGSDOT-UHFFFAOYSA-N 1 0 361.599 4.913 50 0 FJAARO CC[C@H]1CCCC[N@@H+]1CCn1c(=O)c2sc3ccccc3c2[n-]c1=S ZINC000002961721 571343003 /nfs/dbraw/zinc/34/30/03/571343003.db2.gz RXEIHGFQHMHMFE-ZDUSSCGKSA-N 1 0 373.547 4.538 50 0 FJAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2Br)cc1 ZINC000030640447 571347151 /nfs/dbraw/zinc/34/71/51/571347151.db2.gz LXOXERHWHOUPEK-ZDUSSCGKSA-N 1 0 361.283 4.648 50 0 FJAARO C[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)c1cccc(Cl)c1 ZINC000003401621 571349109 /nfs/dbraw/zinc/34/91/09/571349109.db2.gz UGEMZLZPQSSQAS-XHDPSFHLSA-N 1 0 374.695 4.737 50 0 FJAARO Cc1ccccc1NC(=S)N(CC[NH+]1CCCCCC1)Cc1ccco1 ZINC000003662242 571352076 /nfs/dbraw/zinc/35/20/76/571352076.db2.gz YUXMUAYKFOVUKP-UHFFFAOYSA-N 1 0 371.550 4.663 50 0 FJAARO COc1ccccc1NC(=O)[C@@H](C)Nc1ccc([NH+]2CCCCCC2)cc1 ZINC000008136142 571359436 /nfs/dbraw/zinc/35/94/36/571359436.db2.gz AYKHSRDKTSPVIR-QGZVFWFLSA-N 1 0 367.493 4.515 50 0 FJAARO CC(C)COc1ccc([C@@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000753525 210267233 /nfs/dbraw/zinc/26/72/33/210267233.db2.gz YCJYBYTUTWAFAD-DHIUTWEWSA-N 1 0 353.506 4.634 50 0 FJAARO Fc1ccc([C@@H]2CCCN(CC[NH+]3CCCC3)c3cc(F)ccc32)cc1 ZINC000000717559 210266277 /nfs/dbraw/zinc/26/62/77/210266277.db2.gz NYKFEGWFBYXCJF-FQEVSTJZSA-N 1 0 356.460 4.793 50 0 FJAARO COc1ccc(C[NH2+]CC[C@@H](c2ccco2)c2ccc(C)cc2)cc1OC ZINC000002104053 210227999 /nfs/dbraw/zinc/22/79/99/210227999.db2.gz QWWGMGVMIIWGCP-HXUWFJFHSA-N 1 0 365.473 4.917 50 0 FJAARO C[C@H]([NH2+]CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1cccs1 ZINC000239339008 210209205 /nfs/dbraw/zinc/20/92/05/210209205.db2.gz LOSGSTOVRAKYCY-YSIASYRMSA-N 1 0 357.563 5.778 50 0 FJAARO C[NH+](C)C1(CNC(=O)c2cccc(-c3ccccc3Cl)c2)CCCC1 ZINC000299789406 210032180 /nfs/dbraw/zinc/03/21/80/210032180.db2.gz ZOQOIPNSDHSZCY-UHFFFAOYSA-N 1 0 356.897 4.611 50 0 FJAARO CC1=[NH+]CCN1CCO[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl ZINC000005127264 219652256 /nfs/dbraw/zinc/65/22/56/219652256.db2.gz KAICPRHSALATTA-IBGZPJMESA-N 1 0 363.288 4.833 50 0 FJAARO CCOC1=C(C[NH+]2CCCCC2)[C@H](Cc2ccccc2)Oc2ccccc21 ZINC000005243285 203811026 /nfs/dbraw/zinc/81/10/26/203811026.db2.gz OJAORRJPDLYGDB-QHCPKHFHSA-N 1 0 363.501 4.924 50 0 FJAARO COc1cc2c(cc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1)oc1ccccc12 ZINC000059925008 212018833 /nfs/dbraw/zinc/01/88/33/212018833.db2.gz KGCACXSWZYRARR-OAHLLOKOSA-N 1 0 374.440 4.711 50 0 FJAARO FC(F)(F)c1cnc(NCC[NH2+]Cc2ccc(Cl)cc2)c(Cl)c1 ZINC000002555693 204043339 /nfs/dbraw/zinc/04/33/39/204043339.db2.gz IHMOAQIHUVXNAP-UHFFFAOYSA-N 1 0 364.198 4.609 50 0 FJAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000010330471 204009152 /nfs/dbraw/zinc/00/91/52/204009152.db2.gz HMWXGIOWJCQBFG-FQEVSTJZSA-N 1 0 352.865 4.526 50 0 FJAARO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Cl)c1OCC ZINC000002181924 204028293 /nfs/dbraw/zinc/02/82/93/204028293.db2.gz APABSGRYLLJSEU-UHFFFAOYSA-N 1 0 372.896 4.951 50 0 FJAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccco2)c(Cl)c1 ZINC000003047151 204075441 /nfs/dbraw/zinc/07/54/41/204075441.db2.gz KQZLJNODONDCFS-CQSZACIVSA-N 1 0 365.930 4.563 50 0 FJAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2ccc(C)c(Cl)c2)CC1 ZINC000003060218 204076909 /nfs/dbraw/zinc/07/69/09/204076909.db2.gz LWIPBNGOPDEHMU-AWEZNQCLSA-N 1 0 353.963 4.540 50 0 FJAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCCC3)CC2)cc1C ZINC000003058477 204077385 /nfs/dbraw/zinc/07/73/85/204077385.db2.gz HFUQFRZRZYUQCP-UHFFFAOYSA-N 1 0 359.583 4.729 50 0 FJAARO Cc1cc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)ccc1Cl ZINC000002841618 204061806 /nfs/dbraw/zinc/06/18/06/204061806.db2.gz QJMUFOCELLNAIM-UHFFFAOYSA-N 1 0 372.896 4.652 50 0 FJAARO COc1ccc(Cl)cc1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000002840839 204062217 /nfs/dbraw/zinc/06/22/17/204062217.db2.gz DMBAVRZGVYMCCE-UHFFFAOYSA-N 1 0 358.869 4.587 50 0 FJAARO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCCC1 ZINC000004159669 204125157 /nfs/dbraw/zinc/12/51/57/204125157.db2.gz VXMFEHUNDKFMOF-HNNXBMFYSA-N 1 0 363.288 4.558 50 0 FJAARO COc1cc2c(cc1NC(=O)[C@H](C)[NH+]1CCCCCC1)oc1ccccc12 ZINC000003345477 204093259 /nfs/dbraw/zinc/09/32/59/204093259.db2.gz XAERRZVTCOBAHM-HNNXBMFYSA-N 1 0 366.461 4.798 50 0 FJAARO CCc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1 ZINC000004555327 204147401 /nfs/dbraw/zinc/14/74/01/204147401.db2.gz QJJAKYLKEIFYTC-SFHVURJKSA-N 1 0 355.507 4.506 50 0 FJAARO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+]2C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000004672949 204153070 /nfs/dbraw/zinc/15/30/70/204153070.db2.gz BFFNCKPHSZVHRB-PJVWNMJMSA-N 1 0 366.549 4.984 50 0 FJAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc(Br)c1 ZINC000004678526 204153637 /nfs/dbraw/zinc/15/36/37/204153637.db2.gz VLZBRDFLPBTUBE-UHFFFAOYSA-N 1 0 360.230 4.601 50 0 FJAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1c(F)cccc1Br ZINC000004678431 204154467 /nfs/dbraw/zinc/15/44/67/204154467.db2.gz MTFISNLUJVBEAL-UHFFFAOYSA-N 1 0 360.230 4.601 50 0 FJAARO Cc1ccc(NC(=S)NC[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1C ZINC000004683367 204154985 /nfs/dbraw/zinc/15/49/85/204154985.db2.gz YWDVXRJHWGVKPF-OALUTQOASA-N 1 0 367.562 4.673 50 0 FJAARO O=C(N[C@H](CCCC[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000004713666 204157518 /nfs/dbraw/zinc/15/75/18/204157518.db2.gz NWXJLOIXRPPRIT-JOCHJYFZSA-N 1 0 350.506 4.814 50 0 FJAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005450638 204209678 /nfs/dbraw/zinc/20/96/78/204209678.db2.gz FRNPSEGBBXQWFB-GOSISDBHSA-N 1 0 362.395 4.871 50 0 FJAARO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)C[C@H](O)C(C)C ZINC000004875950 204171546 /nfs/dbraw/zinc/17/15/46/204171546.db2.gz CIJMCUOJDVHAIH-QFIPXVFZSA-N 1 0 360.517 4.541 50 0 FJAARO CCOc1ccc2oc(=O)cc(C[N@H+](Cc3ccco3)C3CCCC3)c2c1 ZINC000004943055 204179948 /nfs/dbraw/zinc/17/99/48/204179948.db2.gz PVUVDSXASVWMHY-UHFFFAOYSA-N 1 0 367.445 4.730 50 0 biogenic,in-vitro FJAARO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Br)c1OC ZINC000006857338 204277056 /nfs/dbraw/zinc/27/70/56/204277056.db2.gz PGRJRKSKWZOPOO-UHFFFAOYSA-N 1 0 358.320 4.771 50 0 FJAARO COc1ccc(F)cc1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008202017 204321837 /nfs/dbraw/zinc/32/18/37/204321837.db2.gz LQVSOFWAAWMKDJ-UHFFFAOYSA-N 1 0 356.466 4.824 50 0 FJAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000008471610 204332079 /nfs/dbraw/zinc/33/20/79/204332079.db2.gz YVTPIZUSDGWCCP-UHFFFAOYSA-N 1 0 351.421 4.703 50 0 FJAARO C[C@H](O)C[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000008497851 204332894 /nfs/dbraw/zinc/33/28/94/204332894.db2.gz KYZUSUPIICSWNS-HNNXBMFYSA-N 1 0 355.865 4.543 50 0 FJAARO C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008535065 204333737 /nfs/dbraw/zinc/33/37/37/204333737.db2.gz VZEPBVSOILIOFC-LLVKDONJSA-N 1 0 374.695 4.696 50 0 FJAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCn2ccnc2)cc1 ZINC000010314129 204394926 /nfs/dbraw/zinc/39/49/26/204394926.db2.gz GMIKFDJJDYTHBM-UHFFFAOYSA-N 1 0 369.896 4.604 50 0 FJAARO c1cn(CCC[NH2+]Cc2c(OCc3ccccc3)ccc3ccccc32)cn1 ZINC000010313999 204394973 /nfs/dbraw/zinc/39/49/73/204394973.db2.gz HOACEYYADSVHGQ-UHFFFAOYSA-N 1 0 371.484 4.795 50 0 FJAARO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](CC(C)C)CC3)c2)c1 ZINC000011873110 204419236 /nfs/dbraw/zinc/41/92/36/204419236.db2.gz IHTVUBMYUFZERY-UHFFFAOYSA-N 1 0 366.505 4.669 50 0 FJAARO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000012676488 204485164 /nfs/dbraw/zinc/48/51/64/204485164.db2.gz PEGSMEXVVIIRRN-SCLBCKFNSA-N 1 0 373.294 4.517 50 0 FJAARO COc1ccccc1CC[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000013719260 204546952 /nfs/dbraw/zinc/54/69/52/204546952.db2.gz MTYOYOWVYIBEHV-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO C[C@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000058412178 212009817 /nfs/dbraw/zinc/00/98/17/212009817.db2.gz ANYCCRJFUFUCQP-IBGZPJMESA-N 1 0 350.506 4.797 50 0 FJAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccsc1 ZINC000025330532 204835337 /nfs/dbraw/zinc/83/53/37/204835337.db2.gz PKEXPNSMVQZYLL-MRXNPFEDSA-N 1 0 374.893 4.694 50 0 FJAARO FC(F)(F)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000039769814 205048109 /nfs/dbraw/zinc/04/81/09/205048109.db2.gz AVAXCWYVNPJHNB-UXHICEINSA-N 1 0 366.471 4.934 50 0 FJAARO CC(C)Oc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1Br ZINC000040730920 205078853 /nfs/dbraw/zinc/07/88/53/205078853.db2.gz QIPGHFQSVIRVRR-UHFFFAOYSA-N 1 0 352.247 4.665 50 0 FJAARO CCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1cccc(C)c1 ZINC000040736477 205079206 /nfs/dbraw/zinc/07/92/06/205079206.db2.gz PJHBBNXZGVBZBY-UHFFFAOYSA-N 1 0 362.473 4.658 50 0 FJAARO COCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743556 205079991 /nfs/dbraw/zinc/07/99/91/205079991.db2.gz PVFIVYIKAMPLPU-UHFFFAOYSA-N 1 0 354.277 4.699 50 0 FJAARO CC(C)(c1ccccc1)c1ccc(O[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042774881 205098563 /nfs/dbraw/zinc/09/85/63/205098563.db2.gz RCSVWOUIMPIZMB-MRXNPFEDSA-N 1 0 360.295 4.516 50 0 FJAARO CN(C)CC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040720161 205077372 /nfs/dbraw/zinc/07/73/72/205077372.db2.gz KJWQUSCPFATPEC-UHFFFAOYSA-N 1 0 368.908 4.723 50 0 FJAARO COc1ccc(C[C@@H]2CCC[N@@H+]2Cc2coc(-c3cccs3)n2)cc1 ZINC000048301324 205156737 /nfs/dbraw/zinc/15/67/37/205156737.db2.gz NAWIYSDGYYAMOQ-KRWDZBQOSA-N 1 0 354.475 4.619 50 0 FJAARO CC(C)c1cc(=O)[nH]c(-c2ccccc2C[N@H+](C)C2CCCCCC2)n1 ZINC000048373870 205162702 /nfs/dbraw/zinc/16/27/02/205162702.db2.gz LSQKLWSAHAMXLS-UHFFFAOYSA-N 1 0 353.510 4.715 50 0 FJAARO CCOc1ccccc1CN1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC000054991965 205205291 /nfs/dbraw/zinc/20/52/91/205205291.db2.gz AGAKMHWWZTWIEW-UHFFFAOYSA-N 1 0 352.522 4.572 50 0 FJAARO CCOc1ccc(C[N@H+](Cc2cccnc2)C2CCCCCC2)cc1CO ZINC000055167437 205210559 /nfs/dbraw/zinc/21/05/59/205210559.db2.gz KALFPNUQGBSQKS-UHFFFAOYSA-N 1 0 368.521 4.698 50 0 FJAARO CCC[NH+](CCC)Cc1nc2c(c(=O)[nH]1)C(CC)(CC)Cc1ccccc1-2 ZINC000055556785 205220679 /nfs/dbraw/zinc/22/06/79/205220679.db2.gz DNAJWEKWKGBMSY-UHFFFAOYSA-N 1 0 367.537 4.673 50 0 FJAARO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)c1ccc(F)cc1 ZINC000058160731 205252752 /nfs/dbraw/zinc/25/27/52/205252752.db2.gz ITUAROCNGBXLDZ-JTQLQIEISA-N 1 0 374.765 4.787 50 0 FJAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CC)c2ccccc2C)cc1 ZINC000058029517 205247880 /nfs/dbraw/zinc/24/78/80/205247880.db2.gz VOPCRLRZMJNYFB-QFIPXVFZSA-N 1 0 366.505 4.584 50 0 FJAARO CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000064590886 205301457 /nfs/dbraw/zinc/30/14/57/205301457.db2.gz HRTIMIYJEXSIGP-UHFFFAOYSA-N 1 0 363.505 4.539 50 0 FJAARO CCOC1CC[NH+](Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)CC1 ZINC000065500087 205355788 /nfs/dbraw/zinc/35/57/88/205355788.db2.gz XKRPDGRMUMOAGW-UHFFFAOYSA-N 1 0 366.505 4.557 50 0 FJAARO Cc1nc(C[N@@H+]2CC[C@@H](c3ccnc(-c4cccc5cccnc54)c3)C2)co1 ZINC000065526326 205357219 /nfs/dbraw/zinc/35/72/19/205357219.db2.gz MJFNTSZUSYCONV-LJQANCHMSA-N 1 0 370.456 4.583 50 0 FJAARO CCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C(C)C ZINC000065322294 205336355 /nfs/dbraw/zinc/33/63/55/205336355.db2.gz RRCPERKKUDWILC-UHFFFAOYSA-N 1 0 356.514 4.588 50 0 FJAARO CC(C)Oc1ccc(-c2cc([C@H]3CC[N@H+](Cc4cccnc4)C3)ccn2)cc1 ZINC000065409785 205348256 /nfs/dbraw/zinc/34/82/56/205348256.db2.gz BNQOZLFTACIQFP-QFIPXVFZSA-N 1 0 373.500 4.920 50 0 FJAARO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3ccc(C)cc3)ccc2c1 ZINC000015544859 220156208 /nfs/dbraw/zinc/15/62/08/220156208.db2.gz XSPFFITYVZEAKO-KRWDZBQOSA-N 1 0 362.473 4.616 50 0 FJAARO CCCN(CCC)c1ccc(CC(=O)N[C@H](C)Cc2ccccc2)cc1 ZINC000000825327 206134115 /nfs/dbraw/zinc/13/41/15/206134115.db2.gz KCLKFJVOXMQQQD-LJQANCHMSA-N 1 0 352.522 4.603 50 0 FJAARO COc1ccc(C[NH2+]CC[C@@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000002106274 206153283 /nfs/dbraw/zinc/15/32/83/206153283.db2.gz YNIYTXHJCHUJKZ-MOPGFXCFSA-N 1 0 363.542 4.661 50 0 FJAARO CC[NH+](CC)Cc1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCC2 ZINC000001512231 206151093 /nfs/dbraw/zinc/15/10/93/206151093.db2.gz QPJFOIDSDMJDCJ-UHFFFAOYSA-N 1 0 372.534 4.730 50 0 aggregator FJAARO C[NH+](C)CCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000001773039 206151752 /nfs/dbraw/zinc/15/17/52/206151752.db2.gz AIZGCTKRBBALJB-UHFFFAOYSA-N 1 0 361.276 4.577 50 0 FJAARO CCC[NH+](CCC)Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 ZINC000002122072 206152289 /nfs/dbraw/zinc/15/22/89/206152289.db2.gz SUNDTGDEIDSLDC-UHFFFAOYSA-N 1 0 351.446 4.788 50 0 FJAARO COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccc(C)cc1 ZINC000004064900 206167253 /nfs/dbraw/zinc/16/72/53/206167253.db2.gz MRYHAXJYGJIWLN-XWGVYQGASA-N 1 0 365.517 4.872 50 0 FJAARO C[N@H+](Cc1ccccc1NCC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000007977068 206214578 /nfs/dbraw/zinc/21/45/78/206214578.db2.gz SJUNBYUOSYIDEN-UHFFFAOYSA-N 1 0 369.484 4.641 50 0 FJAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(C(=O)OCC)cc2c1=O ZINC000008714123 206218157 /nfs/dbraw/zinc/21/81/57/206218157.db2.gz ZIUSMVRQDYJVEX-UHFFFAOYSA-N 1 0 372.509 4.828 50 0 FJAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000012762215 206295576 /nfs/dbraw/zinc/29/55/76/206295576.db2.gz JDGYNEUHFAGKMF-INIZCTEOSA-N 1 0 356.897 4.817 50 0 FJAARO Cc1ccc(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1C ZINC000012928409 206298404 /nfs/dbraw/zinc/29/84/04/206298404.db2.gz HTLHRZDYQYGBAA-HSZRJFAPSA-N 1 0 358.485 4.816 50 0 FJAARO COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)s1 ZINC000215404919 206345710 /nfs/dbraw/zinc/34/57/10/206345710.db2.gz DRNMNUYQESXAAA-KRWDZBQOSA-N 1 0 369.490 4.761 50 0 FJAARO CCCOc1c(Br)cc(C[NH2+]C2CCCCC2)cc1OC ZINC000020932679 206346472 /nfs/dbraw/zinc/34/64/72/206346472.db2.gz PULJDQUHIHHRNS-UHFFFAOYSA-N 1 0 356.304 4.669 50 0 FJAARO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(Sc4ccc(C)cc4)o3)C2)[nH]1 ZINC000215581680 206347434 /nfs/dbraw/zinc/34/74/34/206347434.db2.gz LUBBOSQQBYOBCO-INIZCTEOSA-N 1 0 368.506 4.545 50 0 FJAARO CC(C)[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057529539 206385495 /nfs/dbraw/zinc/38/54/95/206385495.db2.gz LKOPIZBVRYUGLP-WOJBJXKFSA-N 1 0 356.897 4.647 50 0 FJAARO C[C@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000057508761 206385826 /nfs/dbraw/zinc/38/58/26/206385826.db2.gz AAHVOFVHUPKGGC-IFXJQAMLSA-N 1 0 354.450 4.593 50 0 FJAARO FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000022852726 206393078 /nfs/dbraw/zinc/39/30/78/206393078.db2.gz JZGZHZKUFRWCFH-OAHLLOKOSA-N 1 0 359.395 4.961 50 0 FJAARO OCC1(CCCc2ccccc2)CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000012111987 211397809 /nfs/dbraw/zinc/39/78/09/211397809.db2.gz JXWRZNOWCILLQQ-UHFFFAOYSA-N 1 0 359.460 4.562 50 0 FJAARO CCc1cccc2c(C[NH2+]C[C@@H](c3cccs3)N3CCCC3)c[nH]c21 ZINC000022753884 211363553 /nfs/dbraw/zinc/36/35/53/211363553.db2.gz HESDKZQYBYCBHJ-IBGZPJMESA-N 1 0 353.535 4.719 50 0 FJAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000022078184 211337766 /nfs/dbraw/zinc/33/77/66/211337766.db2.gz QZDKTMYGVONXAB-JXFKEZNVSA-N 1 0 358.570 4.656 50 0 FJAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(C)C)c(OC)c1 ZINC000021720880 211322802 /nfs/dbraw/zinc/32/28/02/211322802.db2.gz NHGOTYGJZLQFAF-SFHVURJKSA-N 1 0 372.509 4.926 50 0 FJAARO Fc1ccccc1-n1ncc2c1CCC[C@@H]2[NH2+]Cc1cc2ccccc2o1 ZINC000020995759 211301227 /nfs/dbraw/zinc/30/12/27/211301227.db2.gz ARIBKSYBEYREGI-IBGZPJMESA-N 1 0 361.420 4.925 50 0 FJAARO c1nn(-c2ccccn2)c2c1[C@@H]([NH2+]Cc1cc3ccccc3s1)CCC2 ZINC000020860315 211296594 /nfs/dbraw/zinc/29/65/94/211296594.db2.gz UBQFOTFQWWJJSE-SFHVURJKSA-N 1 0 360.486 4.649 50 0 FJAARO COc1ccc(C[NH2+]CCCCOc2ccc(Cl)cc2Cl)cc1 ZINC000019737649 211251981 /nfs/dbraw/zinc/25/19/81/211251981.db2.gz SSDJXGKDJKZAIZ-UHFFFAOYSA-N 1 0 354.277 4.951 50 0 FJAARO Cc1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019823080 211257198 /nfs/dbraw/zinc/25/71/98/211257198.db2.gz FACGWXSVVJGCIU-UHFFFAOYSA-N 1 0 356.513 4.902 50 0 FJAARO Fc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000019594930 211240465 /nfs/dbraw/zinc/24/04/65/211240465.db2.gz PFTLAYPVEAWDQL-HNNXBMFYSA-N 1 0 371.406 4.874 50 0 FJAARO Fc1ccc(F)c(-c2c[nH]nc2[C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)c1 ZINC000019535666 211231465 /nfs/dbraw/zinc/23/14/65/211231465.db2.gz IHNDGWAXWUSDLN-HOTGVXAUSA-N 1 0 357.448 4.891 50 0 FJAARO c1ccc(C[NH+]2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019359470 211218156 /nfs/dbraw/zinc/21/81/56/211218156.db2.gz YETFRKTWSJIWAJ-UHFFFAOYSA-N 1 0 358.485 4.797 50 0 FJAARO c1ccc(COc2cccc(CN3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000019359750 211217857 /nfs/dbraw/zinc/21/78/57/211217857.db2.gz ATUHDMGCCUFYSF-UHFFFAOYSA-N 1 0 372.512 4.583 50 0 FJAARO CCOc1ccc(NC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000017073211 211177325 /nfs/dbraw/zinc/17/73/25/211177325.db2.gz MTIBCAHQLPDDRX-UHFFFAOYSA-N 1 0 353.466 4.715 50 0 FJAARO COc1ccc(-c2c[n+](Cc3ccc(Cl)c(Cl)c3)c3n2CCC3)cc1 ZINC000017206652 211182484 /nfs/dbraw/zinc/18/24/84/211182484.db2.gz LFBPXWXKNNGRST-UHFFFAOYSA-N 1 0 374.291 4.753 50 0 FJAARO O[C@@H](C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 ZINC000016477483 211161936 /nfs/dbraw/zinc/16/19/36/211161936.db2.gz OZCZPJDQSKAQJD-QFIPXVFZSA-N 1 0 367.876 4.742 50 0 FJAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccccc1C ZINC000016362788 211158775 /nfs/dbraw/zinc/15/87/75/211158775.db2.gz FXVWDUPBQIYKJR-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO C[NH+](C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 ZINC000016599415 211163178 /nfs/dbraw/zinc/16/31/78/211163178.db2.gz UMSIVOZISBQTLO-OAHLLOKOSA-N 1 0 358.894 4.587 50 0 FJAARO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862270 211147061 /nfs/dbraw/zinc/14/70/61/211147061.db2.gz WKWBHYLHVJEBTE-UHFFFAOYSA-N 1 0 358.844 4.733 50 0 FJAARO CCCOc1ccccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000015831550 211144582 /nfs/dbraw/zinc/14/45/82/211144582.db2.gz NNVDSYWTGOXECY-HXUWFJFHSA-N 1 0 372.553 4.736 50 0 FJAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)C4CCCCCC4)C3)C2)c1 ZINC000015063390 211117218 /nfs/dbraw/zinc/11/72/18/211117218.db2.gz GUWMJHBVDHRTEW-DEOSSOPVSA-N 1 0 368.565 4.780 50 0 FJAARO Fc1ccc(C[NH+]2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)cc1 ZINC000014986019 211111945 /nfs/dbraw/zinc/11/19/45/211111945.db2.gz OVESRKOFGNHXSA-UHFFFAOYSA-N 1 0 353.416 4.735 50 0 FJAARO Cc1cc(C)c(NC(=O)C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000014021431 211069321 /nfs/dbraw/zinc/06/93/21/211069321.db2.gz RMZYARUOUDSNDI-UHFFFAOYSA-N 1 0 354.538 4.699 50 0 FJAARO CCCCOCCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000013720030 211052387 /nfs/dbraw/zinc/05/23/87/211052387.db2.gz DLOWAERNVSYIMC-UHFFFAOYSA-N 1 0 351.874 4.905 50 0 FJAARO COCCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000013722431 211051569 /nfs/dbraw/zinc/05/15/69/211051569.db2.gz GHQAPSZOPFMLDD-UHFFFAOYSA-N 1 0 353.437 4.684 50 0 FJAARO COc1ccc(-c2c[n+](-c3ccc(Cl)cc3)c3n2CCCCC3)cc1 ZINC000013686387 211048640 /nfs/dbraw/zinc/04/86/40/211048640.db2.gz VQHSVULGRFPZKL-UHFFFAOYSA-N 1 0 353.873 4.820 50 0 FJAARO CCCCOCCC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000013719929 211051340 /nfs/dbraw/zinc/05/13/40/211051340.db2.gz TZZRXSWREJDAGS-UHFFFAOYSA-N 1 0 371.521 4.879 50 0 FJAARO CC(C)OCc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000013165313 211027030 /nfs/dbraw/zinc/02/70/30/211027030.db2.gz IEDMPJDQKWZAGI-UHFFFAOYSA-N 1 0 372.553 4.530 50 0 FJAARO Cc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000012979069 211013094 /nfs/dbraw/zinc/01/30/94/211013094.db2.gz ZRBYBXULQLSGRI-LJQANCHMSA-N 1 0 357.885 4.607 50 0 FJAARO Cc1ccccc1OCC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000012972019 211012637 /nfs/dbraw/zinc/01/26/37/211012637.db2.gz QGYXGYMLIKIUHQ-UHFFFAOYSA-N 1 0 366.505 4.777 50 0 FJAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2C)cc1 ZINC000012945871 211011919 /nfs/dbraw/zinc/01/19/19/211011919.db2.gz JMYKDUWRMRQCPI-OAQYLSRUSA-N 1 0 352.478 4.559 50 0 FJAARO COC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000011935398 210904583 /nfs/dbraw/zinc/90/45/83/210904583.db2.gz HKGKYAXVKVCKHH-SFHVURJKSA-N 1 0 361.489 4.602 50 0 FJAARO COc1ccc(C[NH2+]CC[C@H](Cc2ccccc2)c2ccco2)cc1OC ZINC000001816755 210371629 /nfs/dbraw/zinc/37/16/29/210371629.db2.gz VCZNVUHJXKMCHR-HXUWFJFHSA-N 1 0 365.473 4.803 50 0 FJAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1CCC(C(C)(C)C)CC1 ZINC000001002387 210301019 /nfs/dbraw/zinc/30/10/19/210301019.db2.gz YZBWXUMBVMJAEN-IQDQWBFVSA-N 1 0 368.565 4.982 50 0 FJAARO COc1ccccc1[C@H](CC[NH2+][C@H]1CCO[C@@H](C(C)C)C1)c1ccco1 ZINC000009531178 210286234 /nfs/dbraw/zinc/28/62/34/210286234.db2.gz ADZJVPMVUQQIJT-LQBOVUBWSA-N 1 0 357.494 4.603 50 0 FJAARO CC(C)Oc1ccc([C@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000822596 210276149 /nfs/dbraw/zinc/27/61/49/210276149.db2.gz CGNFTBAYNOZJGF-GOTSBHOMSA-N 1 0 353.506 4.777 50 0 FJAARO COc1ccc([C@H]2CCCCC[N@@H+]2CCC(=O)Nc2ccccc2)cc1 ZINC000022199936 220378331 /nfs/dbraw/zinc/37/83/31/220378331.db2.gz IUXKVUTWQSDFGY-OAQYLSRUSA-N 1 0 352.478 4.641 50 0 FJAARO O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000025144554 220475231 /nfs/dbraw/zinc/47/52/31/220475231.db2.gz KHOXIGNXJFLODI-ROUUACIJSA-N 1 0 368.443 4.523 50 0 FJAARO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000065499195 221226556 /nfs/dbraw/zinc/22/65/56/221226556.db2.gz NSTAJWJTVZYFLR-INIZCTEOSA-N 1 0 363.436 4.666 50 0 FJAARO Cc1nc(C[N@@H+]2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)co1 ZINC000071439982 221349289 /nfs/dbraw/zinc/34/92/89/221349289.db2.gz TZFQPTDWSHHMNU-OAHLLOKOSA-N 1 0 352.400 4.847 50 0 FJAARO Cc1ccc(C[C@H]2CCC[N@H+](Cc3nnc(-c4ccc(F)cc4)o3)C2)cc1 ZINC000071847851 221382829 /nfs/dbraw/zinc/38/28/29/221382829.db2.gz XAVCBQWBHOMMCT-GOSISDBHSA-N 1 0 365.452 4.639 50 0 FJAARO C[NH+](C)CCc1[nH]c2ccccc2c1C[C@@]1(c2ccccc2)CCCCC1=O ZINC000071769169 221374275 /nfs/dbraw/zinc/37/42/75/221374275.db2.gz MPINFBBHDGQIRY-RUZDIDTESA-N 1 0 374.528 4.896 50 0 FJAARO O[C@@H](C[NH2+]C1CCCCC1)CN1c2ccccc2Sc2ccccc21 ZINC000003904548 132385926 /nfs/dbraw/zinc/38/59/26/132385926.db2.gz DPRQBLSBVNUDDL-KRWDZBQOSA-N 1 0 354.519 4.573 50 0 FJAARO COc1cccc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)c1 ZINC000048278587 136123194 /nfs/dbraw/zinc/12/31/94/136123194.db2.gz DEGZSAOIYPTXDU-UHFFFAOYSA-N 1 0 361.489 4.524 50 0 FJAARO COc1ccccc1N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000055543759 136126926 /nfs/dbraw/zinc/12/69/26/136126926.db2.gz QVXLULHKBWUYJT-UHFFFAOYSA-N 1 0 358.485 4.684 50 0 FJAARO CCCCCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057314350 136128555 /nfs/dbraw/zinc/12/85/55/136128555.db2.gz JIWBDIUIGRCRHP-UHFFFAOYSA-N 1 0 365.521 4.528 50 0 FJAARO COC[C@H]1CC[N@@H+](C2CCN(c3cccc(-c4ccc(C)cc4)c3)CC2)C1 ZINC000023379771 136152742 /nfs/dbraw/zinc/15/27/42/136152742.db2.gz GHRGNTGXQQNEJW-FQEVSTJZSA-N 1 0 364.533 4.599 50 0 FJAARO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccn(Cc2ccccc2)c1 ZINC000097022818 222151680 /nfs/dbraw/zinc/15/16/80/222151680.db2.gz ULZJXKOMINKBIE-SFHVURJKSA-N 1 0 358.489 4.757 50 0 FJAARO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(-c2cccc(Cl)c2)c1 ZINC000097572093 222192362 /nfs/dbraw/zinc/19/23/62/222192362.db2.gz HDBCUUYPOGAHLU-UXHICEINSA-N 1 0 369.896 4.707 50 0 FJAARO CCOC(=O)C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000098213413 222232082 /nfs/dbraw/zinc/23/20/82/222232082.db2.gz FUHREEUSMVPWLY-UHFFFAOYSA-N 1 0 351.490 4.811 50 0 FJAARO Cc1ccc(NC(=S)NC[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1C ZINC000104797732 222361188 /nfs/dbraw/zinc/36/11/88/222361188.db2.gz YWDVXRJHWGVKPF-RTBURBONSA-N 1 0 367.562 4.673 50 0 FJAARO O=C(c1cccc(-c2ccc(C[NH+]3CCCC3)cc2)c1)N1CCCCCC1 ZINC000426658600 263652273 /nfs/dbraw/zinc/65/22/73/263652273.db2.gz YKIAOEQWSLBTIJ-UHFFFAOYSA-N 1 0 362.517 4.966 50 0 FJAARO COc1ccc(-c2cccc(N3CCC([NH2+]Cc4ccncc4)CC3)c2)cc1 ZINC000020785698 523140545 /nfs/dbraw/zinc/14/05/45/523140545.db2.gz APJPUDKTMFQCOH-UHFFFAOYSA-N 1 0 373.500 4.516 50 0 FJAARO COc1ccc(CC[NH2+]Cc2cccc(Oc3ccccc3)c2)cc1OC ZINC000019831553 523976692 /nfs/dbraw/zinc/97/66/92/523976692.db2.gz SPTYPHKZQPMVEL-UHFFFAOYSA-N 1 0 363.457 4.828 50 0 FJAARO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000241774168 524274562 /nfs/dbraw/zinc/27/45/62/524274562.db2.gz RNQJFOKUSFRFHP-MBSDFSHPSA-N 1 0 373.500 4.856 50 0 FJAARO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21)c1cc2ccccc2o1 ZINC000239310132 524947398 /nfs/dbraw/zinc/94/73/98/524947398.db2.gz IEZHWEMEHSASTR-JXFKEZNVSA-N 1 0 362.473 4.619 50 0 FJAARO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2C)c2ccccc2)cc1 ZINC000239338773 525978118 /nfs/dbraw/zinc/97/81/18/525978118.db2.gz LERYTJDQPQZGPA-GMHONNGPSA-N 1 0 367.533 4.630 50 0 FJAARO C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000084656004 526076527 /nfs/dbraw/zinc/07/65/27/526076527.db2.gz BLDJFAMZOZWCDT-MRXNPFEDSA-N 1 0 356.897 4.769 50 0 FJAARO c1ccc(Oc2cccc(CN3CC[NH+](C[C@H]4CC=CCC4)CC3)c2)cc1 ZINC000019889684 526487643 /nfs/dbraw/zinc/48/76/43/526487643.db2.gz RCKJJKBCKGESQF-NRFANRHFSA-N 1 0 362.517 4.953 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)cc1F ZINC000216102333 568105527 /nfs/dbraw/zinc/10/55/27/568105527.db2.gz UVADPZQJHLGRKV-WBVHZDCISA-N 1 0 357.448 4.891 50 0 FJAARO Clc1ccc(-c2nnc(C[NH+]3CCC(Cc4ccccc4)CC3)o2)cc1 ZINC000008193487 568274585 /nfs/dbraw/zinc/27/45/85/568274585.db2.gz PXNNRXHEGJCANG-UHFFFAOYSA-N 1 0 367.880 4.845 50 0 FJAARO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000000752249 570454447 /nfs/dbraw/zinc/45/44/47/570454447.db2.gz YUOFPIFTPKDZRM-UHFFFAOYSA-N 1 0 359.469 4.929 50 0 FJAARO C[C@@H]1CCc2c(C[NH+]3CCCC3)c(NC(=O)c3ccccc3)sc2C1 ZINC000000944646 570465082 /nfs/dbraw/zinc/46/50/82/570465082.db2.gz AFCYYXJVKMRVHD-OAHLLOKOSA-N 1 0 354.519 4.721 50 0 FJAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)N(Cc1ccsc1)C1CC1 ZINC000095517482 570466514 /nfs/dbraw/zinc/46/65/14/570466514.db2.gz LHRDKICZYJNXOD-UHFFFAOYSA-N 1 0 369.534 4.931 50 0 FJAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3ccc4ccccc4c3)c2)C1 ZINC000034670366 570526846 /nfs/dbraw/zinc/52/68/46/570526846.db2.gz YVTFHHFQJFPNJZ-QFIPXVFZSA-N 1 0 374.484 4.677 50 0 FJAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000113401229 570544303 /nfs/dbraw/zinc/54/43/03/570544303.db2.gz VTNDOFYRWRVKBV-UHFFFAOYSA-N 1 0 359.473 4.836 50 0 FJAARO C[C@@H]1C[C@H](OC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000033526447 570558571 /nfs/dbraw/zinc/55/85/71/570558571.db2.gz QWQRGWMBWMYNRI-OIBXWCBGSA-N 1 0 373.581 4.533 50 0 FJAARO CC(C)COC[C@H](CN(Cc1ccccc1)c1ccccc1)[NH+]1CCCC1 ZINC000003830283 570568070 /nfs/dbraw/zinc/56/80/70/570568070.db2.gz UIEATEWHFDRYRU-DEOSSOPVSA-N 1 0 366.549 4.830 50 0 world FJAARO CCCCC[NH+]1CCN(c2nc3ccc(C)cc3c(-c3ccccc3)n2)CC1 ZINC000004256638 570582336 /nfs/dbraw/zinc/58/23/36/570582336.db2.gz HUJZSNGLURYPRD-UHFFFAOYSA-N 1 0 374.532 4.917 50 0 FJAARO CC[NH+](CC)CCn1c(-c2ccccc2)cs/c1=N\c1ccccc1 ZINC000005123980 570586955 /nfs/dbraw/zinc/58/69/55/570586955.db2.gz IPNLKYHAOUKDJV-DQRAZIAOSA-N 1 0 351.519 4.791 50 0 FJAARO C[C@](O)(C[NH2+]Cc1cccc(Cl)c1)CSc1ccc(Cl)cc1 ZINC000004390027 570589355 /nfs/dbraw/zinc/58/93/55/570589355.db2.gz NOWSUNYLXMJGOL-KRWDZBQOSA-N 1 0 356.318 4.626 50 0 FJAARO COC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 ZINC000012000730 570603662 /nfs/dbraw/zinc/60/36/62/570603662.db2.gz LVXFIPBFRIGEDK-GOSISDBHSA-N 1 0 367.537 4.603 50 0 FJAARO COC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 ZINC000012000738 570604119 /nfs/dbraw/zinc/60/41/19/570604119.db2.gz LVXFIPBFRIGEDK-SFHVURJKSA-N 1 0 367.537 4.603 50 0 FJAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004834333 570609056 /nfs/dbraw/zinc/60/90/56/570609056.db2.gz ROJYUGWKHIRYCK-FQEVSTJZSA-N 1 0 366.505 4.559 50 0 FJAARO Clc1ccccc1-c1ccc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000004980416 570615773 /nfs/dbraw/zinc/61/57/73/570615773.db2.gz YLHNXEFEKGQGGX-UHFFFAOYSA-N 1 0 352.865 4.922 50 0 FJAARO CC[N@H+](C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000005073578 570620811 /nfs/dbraw/zinc/62/08/11/570620811.db2.gz QPLCNJXQNMFSGK-BSCKTTFPSA-N 1 0 363.586 4.625 50 0 FJAARO CC(C)CNC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000005103045 570621289 /nfs/dbraw/zinc/62/12/89/570621289.db2.gz LUAWSVFQFOSXPD-UHFFFAOYSA-N 1 0 364.533 4.527 50 0 FJAARO O=C(Nc1cccc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005682980 570633394 /nfs/dbraw/zinc/63/33/94/570633394.db2.gz BVQQWGYSPFFTBU-UHFFFAOYSA-N 1 0 359.473 4.626 50 0 FJAARO CCOc1ccc(C(=O)[C@@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000005718693 570633979 /nfs/dbraw/zinc/63/39/79/570633979.db2.gz FJJMGJUYIRDJOQ-QFIPXVFZSA-N 1 0 351.490 4.928 50 0 FJAARO CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000007262322 570662073 /nfs/dbraw/zinc/66/20/73/570662073.db2.gz VAQAESAMWNWOOM-UHFFFAOYSA-N 1 0 351.849 4.956 50 0 FJAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCCc1ccccc1 ZINC000007540073 570666212 /nfs/dbraw/zinc/66/62/12/570666212.db2.gz NCPPBXXHCYEQNL-UHFFFAOYSA-N 1 0 353.487 4.668 50 0 FJAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000008325955 570680285 /nfs/dbraw/zinc/68/02/85/570680285.db2.gz QFVHDUNORYVODJ-CYBMUJFWSA-N 1 0 351.849 4.955 50 0 FJAARO C[C@H](O)C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000008497862 570682481 /nfs/dbraw/zinc/68/24/81/570682481.db2.gz MTQLEULVYDSOEA-HNNXBMFYSA-N 1 0 355.865 4.543 50 0 FJAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000005638463 570683256 /nfs/dbraw/zinc/68/32/56/570683256.db2.gz UJUAABFAEWUNFC-HTXNQAPBSA-N 1 0 354.538 4.641 50 0 FJAARO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[N@@H+](C)C1CCCCC1 ZINC000008714168 570685260 /nfs/dbraw/zinc/68/52/60/570685260.db2.gz OATIEPZBKYUJSX-UHFFFAOYSA-N 1 0 363.299 4.776 50 0 FJAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000011842300 570709300 /nfs/dbraw/zinc/70/93/00/570709300.db2.gz IDUKTILQISADCC-HSZRJFAPSA-N 1 0 364.533 4.522 50 0 FJAARO Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000012240980 570730384 /nfs/dbraw/zinc/73/03/84/570730384.db2.gz DQVLQNPOZFOUGH-UHFFFAOYSA-N 1 0 371.406 4.874 50 0 FJAARO CN(Cc1cccs1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012466213 570748285 /nfs/dbraw/zinc/74/82/85/570748285.db2.gz SEZJURVFYAGFPC-SFHVURJKSA-N 1 0 362.970 4.788 50 0 FJAARO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000012788755 570761317 /nfs/dbraw/zinc/76/13/17/570761317.db2.gz BJUMGNUGYMALPB-WZONZLPQSA-N 1 0 374.484 4.665 50 0 FJAARO COc1ccccc1C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000013720412 570786412 /nfs/dbraw/zinc/78/64/12/570786412.db2.gz HIGIBYWKNDMSFC-UHFFFAOYSA-N 1 0 351.421 4.703 50 0 FJAARO CCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1Br ZINC000013721485 570786786 /nfs/dbraw/zinc/78/67/86/570786786.db2.gz GJTTTXDAQBCDSU-UHFFFAOYSA-N 1 0 368.702 4.834 50 0 FJAARO OCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013727040 570787690 /nfs/dbraw/zinc/78/76/90/570787690.db2.gz FCKJOTJDJPAMDM-UHFFFAOYSA-N 1 0 368.304 4.825 50 0 FJAARO C[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008377335 570795514 /nfs/dbraw/zinc/79/55/14/570795514.db2.gz GQNCLNNDBADXSA-UHFFFAOYSA-N 1 0 360.668 4.954 50 0 FJAARO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000014250044 570816247 /nfs/dbraw/zinc/81/62/47/570816247.db2.gz NXQYFKLRLXZYEK-AWEZNQCLSA-N 1 0 350.384 4.612 50 0 FJAARO Fc1ccc(-c2ccc(C[NH2+]Cc3ccc(Cn4cccn4)cc3)o2)cc1 ZINC000032845184 570820820 /nfs/dbraw/zinc/82/08/20/570820820.db2.gz HDXUTTHPGXTSGZ-UHFFFAOYSA-N 1 0 361.420 4.620 50 0 FJAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000014971866 570827380 /nfs/dbraw/zinc/82/73/80/570827380.db2.gz SQDLJSKLJASTPU-INIZCTEOSA-N 1 0 368.399 4.670 50 0 FJAARO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(O)cc1)C[C@@H](c1ccsc1)O2 ZINC000014990969 570828214 /nfs/dbraw/zinc/82/82/14/570828214.db2.gz DIZGKRYZBDDZPP-NRFANRHFSA-N 1 0 351.471 4.898 50 0 FJAARO Cc1ccc2c(C)nc(N3CCC[C@H]([NH2+]C4CCCCC4)CC3)nc2c1 ZINC000014991167 570828265 /nfs/dbraw/zinc/82/82/65/570828265.db2.gz WICQRXFTQSPERA-IBGZPJMESA-N 1 0 352.526 4.528 50 0 FJAARO OCC1(Cc2ccccc2Cl)CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000015067755 570830931 /nfs/dbraw/zinc/83/09/31/570830931.db2.gz KCVPZLHDNFHVDB-UHFFFAOYSA-N 1 0 369.892 4.903 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)cc1 ZINC000015067844 570831002 /nfs/dbraw/zinc/83/10/02/570831002.db2.gz DRBXNLPWSGZYOP-HNNXBMFYSA-N 1 0 371.406 4.874 50 0 FJAARO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000015071122 570831459 /nfs/dbraw/zinc/83/14/59/570831459.db2.gz JQCVYRKEIPTXGW-MRXNPFEDSA-N 1 0 355.482 4.965 50 0 FJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc4ccccc4c2)N3)C1 ZINC000004556170 570834633 /nfs/dbraw/zinc/83/46/33/570834633.db2.gz PZBAGRIDWPUUEP-LJQANCHMSA-N 1 0 363.486 4.708 50 0 FJAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccco2)CC1 ZINC000015860055 570846276 /nfs/dbraw/zinc/84/62/76/570846276.db2.gz MHJUMMCMHHRVBI-FQEVSTJZSA-N 1 0 368.521 4.780 50 0 FJAARO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000016525878 570857673 /nfs/dbraw/zinc/85/76/73/570857673.db2.gz ROVIFVHBXMNNKU-HXUWFJFHSA-N 1 0 365.448 4.827 50 0 FJAARO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000016607521 570859200 /nfs/dbraw/zinc/85/92/00/570859200.db2.gz JGLGEVXGNLQIBX-UHFFFAOYSA-N 1 0 372.896 4.589 50 0 FJAARO CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)[C@@H](C)c1cccc(OC)c1 ZINC000032937632 570878397 /nfs/dbraw/zinc/87/83/97/570878397.db2.gz OGBWBEWJHMOBKX-INIZCTEOSA-N 1 0 374.912 4.987 50 0 FJAARO COc1ccc(CC[N@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1OC ZINC000019606823 570895675 /nfs/dbraw/zinc/89/56/75/570895675.db2.gz IDJUESGGDPXXMC-UHFFFAOYSA-N 1 0 354.277 4.685 50 0 FJAARO Clc1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019900151 570905878 /nfs/dbraw/zinc/90/58/78/570905878.db2.gz AJFWMMLFGIOUDW-UHFFFAOYSA-N 1 0 350.893 4.811 50 0 FJAARO CC[NH+]1CCN([C@@H](c2c(C)[nH]c3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000019902629 570905885 /nfs/dbraw/zinc/90/58/85/570905885.db2.gz MPSRXGBBGHMKMG-JOCHJYFZSA-N 1 0 367.924 4.857 50 0 FJAARO Cc1ccc(C[NH2+]C[C@@](O)(c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000020219113 570913768 /nfs/dbraw/zinc/91/37/68/570913768.db2.gz MYNKYKFAAVZKFR-JOCHJYFZSA-N 1 0 351.877 4.674 50 0 FJAARO COc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000020451537 570916685 /nfs/dbraw/zinc/91/66/85/570916685.db2.gz QKDCDAOKDPEGCJ-HXUWFJFHSA-N 1 0 361.489 4.773 50 0 FJAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000047719785 570929912 /nfs/dbraw/zinc/92/99/12/570929912.db2.gz VKRRBKPWNWMWAX-UHFFFAOYSA-N 1 0 367.312 4.539 50 0 FJAARO COc1cccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)c1OC ZINC000047770800 570930561 /nfs/dbraw/zinc/93/05/61/570930561.db2.gz DEEQTNYZNYUEPD-UHFFFAOYSA-N 1 0 363.457 4.573 50 0 FJAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(OCC(C)C)c(OC)c1 ZINC000021720882 570934100 /nfs/dbraw/zinc/93/41/00/570934100.db2.gz NHGOTYGJZLQFAF-GOSISDBHSA-N 1 0 372.509 4.926 50 0 FJAARO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2ccccc2)c1 ZINC000023424899 570963696 /nfs/dbraw/zinc/96/36/96/570963696.db2.gz TUAXLKKLNJZXJH-UHFFFAOYSA-N 1 0 359.498 4.933 50 0 FJAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccc(F)cc2)o1 ZINC000026303979 571003955 /nfs/dbraw/zinc/00/39/55/571003955.db2.gz KJPDCIXNCRWTBP-UHFFFAOYSA-N 1 0 361.420 4.870 50 0 FJAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC=CCC1 ZINC000026402725 571005759 /nfs/dbraw/zinc/00/57/59/571005759.db2.gz OCMNFBILGUWEJN-JOCHJYFZSA-N 1 0 374.528 4.922 50 0 FJAARO Clc1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222626 571011065 /nfs/dbraw/zinc/01/10/65/571011065.db2.gz QWAXLQCDONGIRF-HXUWFJFHSA-N 1 0 351.881 4.752 50 0 FJAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000027584060 571015071 /nfs/dbraw/zinc/01/50/71/571015071.db2.gz QDRVEOKRDVSDHC-KRWDZBQOSA-N 1 0 362.926 4.749 50 0 FJAARO Cc1ccc([C@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCCCC2)cc1 ZINC000027664373 571018579 /nfs/dbraw/zinc/01/85/79/571018579.db2.gz BMWCPJIFBKYYCD-NRFANRHFSA-N 1 0 370.924 4.996 50 0 FJAARO CC(C)(C)c1ccc([C@H](CNC(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000028292881 571030762 /nfs/dbraw/zinc/03/07/62/571030762.db2.gz GXGPHGHOVBFQBS-QFIPXVFZSA-N 1 0 364.533 4.941 50 0 FJAARO CC(C)[NH+](C[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2)C(C)C ZINC000028297111 571031339 /nfs/dbraw/zinc/03/13/39/571031339.db2.gz PFFTVCXOTOLTFR-INIZCTEOSA-N 1 0 362.945 4.653 50 0 FJAARO CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000028427548 571032143 /nfs/dbraw/zinc/03/21/43/571032143.db2.gz ZRLLDOMZMAWRGC-KRWDZBQOSA-N 1 0 368.304 4.741 50 0 FJAARO CCOc1cc2c(cc1C[NH2+]Cc1ccc(C(F)(F)F)cc1)O[C@H](C)C2 ZINC000008402986 571045549 /nfs/dbraw/zinc/04/55/49/571045549.db2.gz QKINWPVWWBGEGI-CYBMUJFWSA-N 1 0 365.395 4.717 50 0 FJAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cc(Br)cs2)cc1 ZINC000030641124 571048509 /nfs/dbraw/zinc/04/85/09/571048509.db2.gz RHKLRSPLSCNVFX-LLVKDONJSA-N 1 0 367.312 4.710 50 0 FJAARO CCc1cccc(C)c1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000072294146 571050197 /nfs/dbraw/zinc/05/01/97/571050197.db2.gz DRSVREICQLEHSX-IBGZPJMESA-N 1 0 365.521 4.686 50 0 FJAARO CC(C)CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccoc1 ZINC000225633315 571051052 /nfs/dbraw/zinc/05/10/52/571051052.db2.gz RFIHHSWCFBYHHU-BWAGFHJFSA-N 1 0 355.526 4.652 50 0 FJAARO COc1ccccc1C[C@@H](C)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000225636813 571051596 /nfs/dbraw/zinc/05/15/96/571051596.db2.gz OJCXRZPZFHDHRO-CQSZACIVSA-N 1 0 356.466 4.679 50 0 FJAARO CC(C)COc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1 ZINC000008613216 571052779 /nfs/dbraw/zinc/05/27/79/571052779.db2.gz BIGDYHAEDOBLGJ-OAQYLSRUSA-N 1 0 372.553 4.592 50 0 FJAARO COc1ccc(C[N@H+](C2CC2)C2CCCCC2)c(Br)c1OC ZINC000083937297 571060943 /nfs/dbraw/zinc/06/09/43/571060943.db2.gz NVTRGMNOALUOIB-UHFFFAOYSA-N 1 0 368.315 4.763 50 0 FJAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087175 571061935 /nfs/dbraw/zinc/06/19/35/571061935.db2.gz GFHNOLSKXCVYAO-INIZCTEOSA-N 1 0 361.507 4.891 50 0 FJAARO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000084017126 571066800 /nfs/dbraw/zinc/06/68/00/571066800.db2.gz YRLYYKKZKGRWGC-SFHVURJKSA-N 1 0 366.896 4.521 50 0 FJAARO CCOc1cc(C[NH2+][C@@H](C)c2ccncc2)ccc1OCc1ccccc1 ZINC000039976534 571066878 /nfs/dbraw/zinc/06/68/78/571066878.db2.gz XEMSHSXDFVJKDC-SFHVURJKSA-N 1 0 362.473 4.910 50 0 FJAARO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cccc(Cl)c1 ZINC000040030640 571069068 /nfs/dbraw/zinc/06/90/68/571069068.db2.gz UWKMCCRHSLAFBQ-UHFFFAOYSA-N 1 0 365.930 4.777 50 0 FJAARO CCC[C@](O)(c1ccc(O)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000016490206 571070303 /nfs/dbraw/zinc/07/03/03/571070303.db2.gz PHQMTFDPHUMHIK-PKTZIBPZSA-N 1 0 353.506 4.650 50 0 FJAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000040069040 571071861 /nfs/dbraw/zinc/07/18/61/571071861.db2.gz QCEXSNMSBQHSEM-UHFFFAOYSA-N 1 0 373.928 4.523 50 0 FJAARO Clc1ccc(Cl)c(-c2ccc(C[NH2+]CCCn3ccnc3)o2)c1 ZINC000035268961 571075720 /nfs/dbraw/zinc/07/57/20/571075720.db2.gz SQLGHUMRXAXZHO-UHFFFAOYSA-N 1 0 350.249 4.630 50 0 FJAARO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000035511281 571076792 /nfs/dbraw/zinc/07/67/92/571076792.db2.gz VGPKCJZCKKPHDO-LJQANCHMSA-N 1 0 350.466 4.834 50 0 FJAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cc2ccccc2o1 ZINC000012763326 571083303 /nfs/dbraw/zinc/08/33/03/571083303.db2.gz SOZMKBDSEIYYES-KRWDZBQOSA-N 1 0 362.473 4.910 50 0 FJAARO COc1cc(C)c(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1C ZINC000039769826 571089746 /nfs/dbraw/zinc/08/97/46/571089746.db2.gz LPDWVKCSVCIFOF-GGAORHGYSA-N 1 0 356.554 4.541 50 0 FJAARO CCCCOCCC[NH2+]Cc1cccc(OC)c1OCc1cccc(C)c1 ZINC000040722279 571092725 /nfs/dbraw/zinc/09/27/25/571092725.db2.gz DJISTGQDSYJLTC-UHFFFAOYSA-N 1 0 371.521 4.879 50 0 FJAARO CCOc1cc(C[NH2+]Cc2ccccc2OC)cc(Cl)c1OC(C)C ZINC000040729302 571093967 /nfs/dbraw/zinc/09/39/67/571093967.db2.gz FMZJDKHXIDERAI-UHFFFAOYSA-N 1 0 363.885 4.824 50 0 FJAARO COc1ccc(C[NH2+]Cc2cc(Br)ccc2OC(C)C)cc1 ZINC000040730219 571094071 /nfs/dbraw/zinc/09/40/71/571094071.db2.gz KNBXYUJXBQFPDE-UHFFFAOYSA-N 1 0 364.283 4.535 50 0 FJAARO CCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccccc1C ZINC000040736773 571094704 /nfs/dbraw/zinc/09/47/04/571094704.db2.gz JUADGSKQZGFNBP-UHFFFAOYSA-N 1 0 351.446 4.856 50 0 FJAARO O[C@@H](C[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1)c1ccccc1 ZINC000040738990 571095598 /nfs/dbraw/zinc/09/55/98/571095598.db2.gz IJWMKKJQDKQCFR-QFIPXVFZSA-N 1 0 367.876 4.742 50 0 FJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000084686329 571096221 /nfs/dbraw/zinc/09/62/21/571096221.db2.gz PSDUDXVPEIIHAG-OKILXGFUSA-N 1 0 367.415 4.666 50 0 FJAARO CCc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)o1 ZINC000043056870 571099204 /nfs/dbraw/zinc/09/92/04/571099204.db2.gz QLCWYYZANVGWCT-INIZCTEOSA-N 1 0 353.441 4.751 50 0 FJAARO COc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000042925950 571099223 /nfs/dbraw/zinc/09/92/23/571099223.db2.gz AWEPPBSSRJCQGI-GOSISDBHSA-N 1 0 365.452 4.604 50 0 FJAARO CCc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)o1 ZINC000042972184 571099299 /nfs/dbraw/zinc/09/92/99/571099299.db2.gz HCIFUPJZSKNYMQ-AWEZNQCLSA-N 1 0 371.431 4.890 50 0 FJAARO CCc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)o1 ZINC000042972187 571099322 /nfs/dbraw/zinc/09/93/22/571099322.db2.gz HCIFUPJZSKNYMQ-CQSZACIVSA-N 1 0 371.431 4.890 50 0 FJAARO C[C@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1 ZINC000044934146 571105299 /nfs/dbraw/zinc/10/52/99/571105299.db2.gz NJQXBZMZRZQGKZ-HNNXBMFYSA-N 1 0 374.887 4.569 50 0 FJAARO Cc1nc(CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cs1 ZINC000045345038 571106325 /nfs/dbraw/zinc/10/63/25/571106325.db2.gz IRODFHGIRBWEBR-UHFFFAOYSA-N 1 0 372.538 4.538 50 0 FJAARO O=C(c1cc2c(cccc2F)s1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000070012285 571107840 /nfs/dbraw/zinc/10/78/40/571107840.db2.gz WSVMQHGIBZWSFX-UHFFFAOYSA-N 1 0 374.525 4.769 50 0 FJAARO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000070021876 571108126 /nfs/dbraw/zinc/10/81/26/571108126.db2.gz ZIMWGAHRCXWBFY-IBGZPJMESA-N 1 0 362.489 4.610 50 0 FJAARO Fc1cccc([C@H]2CCCCC[N@@H+]2Cc2cc(-c3cccnc3)no2)c1 ZINC000243901458 571112699 /nfs/dbraw/zinc/11/26/99/571112699.db2.gz BBQHRJRKZQTZCG-OAQYLSRUSA-N 1 0 351.425 4.993 50 0 FJAARO COc1ccc(C[N@H+](C)Cc2cncn2C2CCCCC2)c2cccnc12 ZINC000243915057 571112981 /nfs/dbraw/zinc/11/29/81/571112981.db2.gz BMHJOQKGMYDPDX-UHFFFAOYSA-N 1 0 364.493 4.577 50 0 FJAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000009750873 571118529 /nfs/dbraw/zinc/11/85/29/571118529.db2.gz QQCXTGJUQOEDBC-HNNXBMFYSA-N 1 0 368.264 4.545 50 0 FJAARO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2CC ZINC000009942059 571121468 /nfs/dbraw/zinc/12/14/68/571121468.db2.gz BNKFMONWRFMHIW-UHFFFAOYSA-N 1 0 356.514 4.561 50 0 FJAARO O[C@@H](C[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1 ZINC000247725481 571125929 /nfs/dbraw/zinc/12/59/29/571125929.db2.gz CMAFHWZCOQEXCF-DEOSSOPVSA-N 1 0 374.459 4.652 50 0 FJAARO O[C@H](C[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1 ZINC000247725487 571125931 /nfs/dbraw/zinc/12/59/31/571125931.db2.gz CMAFHWZCOQEXCF-XMMPIXPASA-N 1 0 374.459 4.652 50 0 FJAARO O[C@@H](C[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1 ZINC000247724371 571125933 /nfs/dbraw/zinc/12/59/33/571125933.db2.gz BUSKPCOSDVMDDH-DEOSSOPVSA-N 1 0 374.459 4.652 50 0 FJAARO Cc1cccc(Cn2cc(C[NH2+]C[C@@H](O)c3ccccc3)c3ccccc32)c1 ZINC000247876472 571126238 /nfs/dbraw/zinc/12/62/38/571126238.db2.gz APAQEWARGLBUCF-RUZDIDTESA-N 1 0 370.496 4.821 50 0 FJAARO COc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000247872416 571126292 /nfs/dbraw/zinc/12/62/92/571126292.db2.gz DXQXLCNQCMMUHC-UHFFFAOYSA-N 1 0 356.469 4.988 50 0 FJAARO Cc1cccc(Cn2nc(C[NH2+]C3CCCCC3)c(-c3ccccc3)n2)c1 ZINC000247936531 571126680 /nfs/dbraw/zinc/12/66/80/571126680.db2.gz SKBOBFZWPNHQKF-UHFFFAOYSA-N 1 0 360.505 4.724 50 0 FJAARO Cc1ccc(Cn2cc(C[NH2+]CCOc3ccccn3)c3ccccc32)cc1 ZINC000248052844 571127466 /nfs/dbraw/zinc/12/74/66/571127466.db2.gz BJXBQJSTXJJPMV-UHFFFAOYSA-N 1 0 371.484 4.562 50 0 FJAARO CCCCOCCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248143615 571127908 /nfs/dbraw/zinc/12/79/08/571127908.db2.gz CWBJGYUXIQWSFZ-UHFFFAOYSA-N 1 0 350.506 4.986 50 0 FJAARO Cc1ccc(Cn2cc(C[NH2+]C[C@@H](O)c3ccccc3)c3ccccc32)cc1 ZINC000248128703 571127923 /nfs/dbraw/zinc/12/79/23/571127923.db2.gz XTDMFWSWQIBCSQ-RUZDIDTESA-N 1 0 370.496 4.821 50 0 FJAARO CC(C)CC[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248239971 571128536 /nfs/dbraw/zinc/12/85/36/571128536.db2.gz DQHMMTGPFDQCRO-UHFFFAOYSA-N 1 0 368.912 4.783 50 0 FJAARO CC(C)C[NH2+]Cc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000248267203 571128655 /nfs/dbraw/zinc/12/86/55/571128655.db2.gz YFORJVAITRJNMW-UHFFFAOYSA-N 1 0 372.875 4.532 50 0 FJAARO CCCCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248273872 571128726 /nfs/dbraw/zinc/12/87/26/571128726.db2.gz RESPPQWROCATTE-UHFFFAOYSA-N 1 0 368.912 4.927 50 0 FJAARO CCOCCC[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000248287738 571128821 /nfs/dbraw/zinc/12/88/21/571128821.db2.gz GXPCPYMLPGZABP-UHFFFAOYSA-N 1 0 374.887 4.998 50 0 FJAARO CCn1nc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c(-c2ccccc2)n1 ZINC000249697853 571129179 /nfs/dbraw/zinc/12/91/79/571129179.db2.gz UZEQLUWNAZYXDC-SVIALIIXSA-N 1 0 364.537 4.804 50 0 FJAARO CCC[NH+](CCC)Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2)cc1 ZINC000033640307 571134187 /nfs/dbraw/zinc/13/41/87/571134187.db2.gz UDWOJTOOZQKHPI-LJQANCHMSA-N 1 0 352.522 4.670 50 0 FJAARO Clc1cccc(Cn2nc(C[NH2+]C3CCCC3)c(-c3ccccc3)n2)c1 ZINC000253488451 571135717 /nfs/dbraw/zinc/13/57/17/571135717.db2.gz ATAFSQYFRFGXSG-UHFFFAOYSA-N 1 0 366.896 4.679 50 0 FJAARO Clc1ccc(Cn2nc(C[NH2+]C3CC3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000253488423 571135798 /nfs/dbraw/zinc/13/57/98/571135798.db2.gz AQFYKKLTOLUNOP-UHFFFAOYSA-N 1 0 373.287 4.552 50 0 FJAARO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000015862268 571138481 /nfs/dbraw/zinc/13/84/81/571138481.db2.gz UFBGPOCHFNFZFJ-UHFFFAOYSA-N 1 0 352.453 4.696 50 0 FJAARO C[C@H](c1cccs1)[N@H+](C)Cc1cccc(C(=O)Nc2ccncc2F)c1 ZINC000067867525 571150739 /nfs/dbraw/zinc/15/07/39/571150739.db2.gz RICKMYFOEPKRGH-CQSZACIVSA-N 1 0 369.465 4.728 50 0 FJAARO CCC[C@@H]1COCC[N@@H+]1CCCc1ccc(COc2ccccc2)cc1 ZINC000068606091 571153339 /nfs/dbraw/zinc/15/33/39/571153339.db2.gz ZIXBWTMRZQDJDC-JOCHJYFZSA-N 1 0 353.506 4.699 50 0 FJAARO Cc1ccccc1NC(=S)N1CCC([N@@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000004668310 571156217 /nfs/dbraw/zinc/15/62/17/571156217.db2.gz TWLQFTCLKAJKAP-PXNSSMCTSA-N 1 0 359.583 4.667 50 0 FJAARO CC[NH+](CC)CCc1c(C)[nH]c(/C=C2\[NH+]=C(C)C(CCC(=O)[O-])=C2C)c1C ZINC000075272277 571159196 /nfs/dbraw/zinc/15/91/96/571159196.db2.gz WNCNTSMXTVBJNS-MOSHPQCFSA-N 1 0 371.525 4.513 50 0 FJAARO CC(C)c1ccc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000004691210 571162678 /nfs/dbraw/zinc/16/26/78/571162678.db2.gz JGYAITVEUZTTFL-UHFFFAOYSA-N 1 0 364.533 4.681 50 0 FJAARO Nc1ncccc1C[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071764797 571166031 /nfs/dbraw/zinc/16/60/31/571166031.db2.gz PZKBWJPOMOBVJX-HNNXBMFYSA-N 1 0 363.427 4.527 50 0 FJAARO CC[C@](O)(c1cccc(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071769308 571166275 /nfs/dbraw/zinc/16/62/75/571166275.db2.gz OKARETPOLGJSFX-UXHICEINSA-N 1 0 363.423 4.825 50 0 FJAARO Cc1ccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000072151664 571174227 /nfs/dbraw/zinc/17/42/27/571174227.db2.gz AKDCNHYXPNEHOK-UHFFFAOYSA-N 1 0 355.425 4.559 50 0 FJAARO Cc1ccc(NC(=O)N(C)[C@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000012530995 571174893 /nfs/dbraw/zinc/17/48/93/571174893.db2.gz ROWCUIYEOGXLGX-SFHVURJKSA-N 1 0 368.868 4.635 50 0 FJAARO CC(C)Oc1c(Cl)cc(CN2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000072155924 571175124 /nfs/dbraw/zinc/17/51/24/571175124.db2.gz YPETYECMKOFYJK-HNNXBMFYSA-N 1 0 359.341 4.697 50 0 FJAARO Cc1ccc(OCC[N@@H+](C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 ZINC000012980504 571183251 /nfs/dbraw/zinc/18/32/51/571183251.db2.gz MBCOQTSCKUJAAC-UHFFFAOYSA-N 1 0 371.864 4.574 50 0 FJAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000012603179 571190073 /nfs/dbraw/zinc/19/00/73/571190073.db2.gz DTMDQGQIAKLKNM-XMMPIXPASA-N 1 0 359.469 4.852 50 0 FJAARO COc1ccc(OC)c2nc(-c3cccc(Cl)c3)c(C[NH+](C)C)cc12 ZINC000072440672 571196786 /nfs/dbraw/zinc/19/67/86/571196786.db2.gz ZNBCZLULNIEXDD-UHFFFAOYSA-N 1 0 356.853 4.634 50 0 FJAARO c1csc(CC[C@@H]2CCCC[N@@H+]2Cc2cc(-c3ccccn3)no2)c1 ZINC000077341747 571208179 /nfs/dbraw/zinc/20/81/79/571208179.db2.gz JANCJAJJZWEDQL-INIZCTEOSA-N 1 0 353.491 4.785 50 0 FJAARO Cc1ccc2[nH]c([C@@H]3CCCN3Cc3cc(-c4ccccc4)no3)nc2c1 ZINC000077503245 571213654 /nfs/dbraw/zinc/21/36/54/571213654.db2.gz MGROQUZCUXKBBW-NRFANRHFSA-N 1 0 358.445 4.863 50 0 FJAARO Cc1cc(Cl)c(OCC[N@@H+](C)Cc2ccccc2)c(Br)c1 ZINC000004905385 571213742 /nfs/dbraw/zinc/21/37/42/571213742.db2.gz YQYGDIWMXIEJIS-UHFFFAOYSA-N 1 0 368.702 4.922 50 0 FJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOCCOc2ccc(Cl)c3ccccc23)C1 ZINC000004906570 571213756 /nfs/dbraw/zinc/21/37/56/571213756.db2.gz YKVZILBGRZOAET-CALCHBBNSA-N 1 0 361.913 4.867 50 0 FJAARO CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000040739566 571237747 /nfs/dbraw/zinc/23/77/47/571237747.db2.gz KXKVHIVJPHOKEM-UHFFFAOYSA-N 1 0 372.665 4.930 50 0 FJAARO O[C@@H](Cc1ccccc1)C[NH+](Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000036102610 571242001 /nfs/dbraw/zinc/24/20/01/571242001.db2.gz HUJBDRMCTWEXPB-QHCPKHFHSA-N 1 0 367.439 4.571 50 0 FJAARO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1OC ZINC000036347690 571248717 /nfs/dbraw/zinc/24/87/17/571248717.db2.gz BEPFOWNUEYLBSZ-HSZRJFAPSA-N 1 0 362.473 4.501 50 0 FJAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000006962309 571255904 /nfs/dbraw/zinc/25/59/04/571255904.db2.gz GYKROQWGSBMGEA-IRLDBZIGSA-N 1 0 362.517 4.741 50 0 FJAARO Cc1ccc(-c2cs/c(=N\c3ccccc3)n2CCC[NH+](C)C)cc1 ZINC000016804915 571272765 /nfs/dbraw/zinc/27/27/65/571272765.db2.gz UQIPCZJEOAPVJV-DQRAZIAOSA-N 1 0 351.519 4.709 50 0 FJAARO Fc1ccc(-c2c[n+](Cc3ccc(Cl)cc3Cl)c3n2CCC3)cc1 ZINC000017209592 571275381 /nfs/dbraw/zinc/27/53/81/571275381.db2.gz UITNDLUCARTXSV-UHFFFAOYSA-N 1 0 362.255 4.883 50 0 FJAARO C[NH+](C)C[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000007817863 571289828 /nfs/dbraw/zinc/28/98/28/571289828.db2.gz IZMWWLADILKEFV-GOSISDBHSA-N 1 0 368.864 4.633 50 0 FJAARO Cc1sc2nc(CN3CCC(C)CC3)nc(Oc3cccnc3)c2c1C ZINC000007902724 571292760 /nfs/dbraw/zinc/29/27/60/571292760.db2.gz XRKDCYLUAOZBID-UHFFFAOYSA-N 1 0 368.506 4.727 50 0 FJAARO Cc1ccc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c(C)c1 ZINC000007922236 571294307 /nfs/dbraw/zinc/29/43/07/571294307.db2.gz TXBKBEFIKYASQI-OAHLLOKOSA-N 1 0 353.491 4.545 50 0 FJAARO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)C1CCCC1 ZINC000101359132 571309170 /nfs/dbraw/zinc/30/91/70/571309170.db2.gz LAUAHIVTDOZZLW-DHIUTWEWSA-N 1 0 363.501 4.778 50 0 FJAARO CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000253430353 571313367 /nfs/dbraw/zinc/31/33/67/571313367.db2.gz JBEWEYBYUAFDFG-JCNLHEQBSA-N 1 0 363.288 4.988 50 0 FJAARO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[NH+]1CCCC1 ZINC000095477640 571330918 /nfs/dbraw/zinc/33/09/18/571330918.db2.gz WXHPAMWSHFVEFI-UHFFFAOYSA-N 1 0 374.440 4.814 50 0 FJAARO CC[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1nc(C)c(C)o1 ZINC000095943576 571332427 /nfs/dbraw/zinc/33/24/27/571332427.db2.gz MGDCBWLROVENRJ-MRXNPFEDSA-N 1 0 351.288 4.555 50 0 FJAARO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000095949235 571332644 /nfs/dbraw/zinc/33/26/44/571332644.db2.gz RNBSEUIBRXSCPW-OCCSQVGLSA-N 1 0 363.807 4.712 50 0 FJAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH+](C)C)cc(=O)oc2c1C ZINC000096115182 571334446 /nfs/dbraw/zinc/33/44/46/571334446.db2.gz WVEXHMUJGZDRNE-UHFFFAOYSA-N 1 0 362.429 4.588 50 0 FJAARO Fc1ccc(Nc2ncc3c(n2)CCN(Cc2cccc(Cl)c2)C3)cc1 ZINC000021639724 571335317 /nfs/dbraw/zinc/33/53/17/571335317.db2.gz NJZJQCBZNHRZON-UHFFFAOYSA-N 1 0 368.843 4.571 50 0 FJAARO COc1nc2c(sc3nc4c(c(-c5ccco5)c32)CCCC4)c(=[NH2+])s1 ZINC000096581158 571336315 /nfs/dbraw/zinc/33/63/15/571336315.db2.gz MCKUNWZNAKFACD-UHFFFAOYSA-N 1 0 369.471 4.533 50 0 FJAARO CC[NH+](CC)CC(=O)Nc1c(C)cc(C)cc1Nc1ccc(C)cc1C ZINC000670421060 571341373 /nfs/dbraw/zinc/34/13/73/571341373.db2.gz AJNGNUZEAQOQIA-UHFFFAOYSA-N 1 0 353.510 4.944 50 0 FJAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2cccs2)c2ccccc2)cc1 ZINC000057470810 571343534 /nfs/dbraw/zinc/34/35/34/571343534.db2.gz DTCOOPGRQHHQRT-OXJNMPFZSA-N 1 0 350.487 4.763 50 0 FJAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000057477906 571343560 /nfs/dbraw/zinc/34/35/60/571343560.db2.gz DJNVKUNJTSLYIZ-NRFANRHFSA-N 1 0 363.457 4.756 50 0 FJAARO Cc1ccc(C)c(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000003058551 571344418 /nfs/dbraw/zinc/34/44/18/571344418.db2.gz VOALHWNWJTWPEC-WIYYLYMNSA-N 1 0 373.610 4.975 50 0 FJAARO c1sc(CN2CCc3[nH]c4ccccc4c3C2)cc1C[NH+]1CCCCC1 ZINC000670438263 571347795 /nfs/dbraw/zinc/34/77/95/571347795.db2.gz YXNXSULFPPFLRH-UHFFFAOYSA-N 1 0 365.546 4.774 50 0 FJAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(F)c(F)cc1Cl ZINC000003414111 571349308 /nfs/dbraw/zinc/34/93/08/571349308.db2.gz IHMJISNKFXXMDY-UHFFFAOYSA-N 1 0 370.871 4.537 50 0 FJAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1cc2ccccc2cn1 ZINC000670463590 571357896 /nfs/dbraw/zinc/35/78/96/571357896.db2.gz XSVXPCUSFSOVIK-QHCPKHFHSA-N 1 0 373.500 4.582 50 0 FJAARO Fc1ccc([C@H]2CCCN(CC[NH+]3CCCC3)c3cc(F)ccc32)cc1 ZINC000000717558 210266465 /nfs/dbraw/zinc/26/64/65/210266465.db2.gz NYKFEGWFBYXCJF-HXUWFJFHSA-N 1 0 356.460 4.793 50 0 FJAARO COc1cc2c(cc1OC)C[N@H+](CC[C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000000664923 219309937 /nfs/dbraw/zinc/30/99/37/219309937.db2.gz QEYKVSJFGFOGHF-OAHLLOKOSA-N 1 0 359.897 4.909 50 0 FJAARO C[C@@H]1CCC[N@H+](CCCCOc2ccc(Cl)cc2Br)C1 ZINC000002824106 219467890 /nfs/dbraw/zinc/46/78/90/219467890.db2.gz DMPWBCHLMBBPJZ-CYBMUJFWSA-N 1 0 360.723 4.993 50 0 FJAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCC4=CCCCC4)[C@H]3C=C12 ZINC000004041121 219536938 /nfs/dbraw/zinc/53/69/38/219536938.db2.gz HXYJGBLGTALODR-IVVFSKFDSA-N 1 0 357.538 4.781 50 0 FJAARO CCc1ccc(-c2nc3ccccn3c2C[NH2+]Cc2ccccc2F)cc1 ZINC000063666742 212033363 /nfs/dbraw/zinc/03/33/63/212033363.db2.gz QZRZTVGHOBVPFD-UHFFFAOYSA-N 1 0 359.448 4.993 50 0 FJAARO O=C(c1cccc(Br)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002515005 204042016 /nfs/dbraw/zinc/04/20/16/204042016.db2.gz LDEALBSCJXFWPB-UHFFFAOYSA-N 1 0 358.279 4.666 50 0 FJAARO [NH2+]=C(NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000001491941 204011113 /nfs/dbraw/zinc/01/11/13/204011113.db2.gz YGOCAMFQDLFNQK-UHFFFAOYSA-N 1 0 362.273 4.719 50 0 FJAARO O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000001729525 204018922 /nfs/dbraw/zinc/01/89/22/204018922.db2.gz VKLJPGAHSLIQKH-FPOVZHCZSA-N 1 0 352.865 4.731 50 0 in-vitro FJAARO COc1ccc(C[NH2+]CC[C@H](c2ccco2)c2ccc(F)cc2)cc1OC ZINC000001818239 204021040 /nfs/dbraw/zinc/02/10/40/204021040.db2.gz GJVCJNGEULTDBS-IBGZPJMESA-N 1 0 369.436 4.748 50 0 FJAARO CCCCOc1ccc([C@@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001829741 204021621 /nfs/dbraw/zinc/02/16/21/204021621.db2.gz BHWJEAFQJWQLOS-XZOQPEGZSA-N 1 0 353.506 4.779 50 0 FJAARO CCCOc1ccc([C@@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000002294687 204033059 /nfs/dbraw/zinc/03/30/59/204033059.db2.gz MAZZASHVOPNVPI-DHIUTWEWSA-N 1 0 353.506 4.779 50 0 FJAARO Cc1c(Cl)cccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccco1 ZINC000003050947 204075556 /nfs/dbraw/zinc/07/55/56/204075556.db2.gz LOZNUSRYBQAASV-AWEZNQCLSA-N 1 0 365.930 4.563 50 0 FJAARO COc1ccc(-c2c[n+](-c3ccc(C)c(Cl)c3)c3n2CCCS3)cc1 ZINC000003226880 204082992 /nfs/dbraw/zinc/08/29/92/204082992.db2.gz PYYIQWIWMNDHGY-UHFFFAOYSA-N 1 0 371.913 4.898 50 0 FJAARO C[C@@H]1CCc2c(sc3ncnc(NC[C@H](c4ccccc4)[NH+](C)C)c23)C1 ZINC000003285404 204087412 /nfs/dbraw/zinc/08/74/12/204087412.db2.gz CVERDUYFQPGPKY-RHSMWYFYSA-N 1 0 366.534 4.531 50 0 FJAARO CCC(=S)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000003787812 204110085 /nfs/dbraw/zinc/11/00/85/204110085.db2.gz CNWANTXFMDITNZ-UHFFFAOYSA-N 1 0 352.547 4.938 50 0 FJAARO C[NH+](C)C[C@H]1CCCC[C@H]1[C@]1(O)c2ccccc2CSc2ccccc21 ZINC000004128336 204123951 /nfs/dbraw/zinc/12/39/51/204123951.db2.gz DYOKEZUEHYQWMK-BOCKYXSRSA-N 1 0 367.558 4.896 50 0 FJAARO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1ccc2ccccc2c1 ZINC000003401586 204097298 /nfs/dbraw/zinc/09/72/98/204097298.db2.gz ZJGZUCOCPYGPMF-KKSFZXQISA-N 1 0 369.892 4.722 50 0 FJAARO CCCN(CC1CC1)C(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000004673443 204154575 /nfs/dbraw/zinc/15/45/75/204154575.db2.gz IRPXLVHLICJXFD-UHFFFAOYSA-N 1 0 364.533 4.700 50 0 FJAARO C[C@](O)(C[NH2+]Cc1ccc(Cl)cc1)CSc1ccccc1Cl ZINC000004390038 204136644 /nfs/dbraw/zinc/13/66/44/204136644.db2.gz FZUIXXAUMVLKKS-KRWDZBQOSA-N 1 0 356.318 4.626 50 0 FJAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000004942809 204179003 /nfs/dbraw/zinc/17/90/03/204179003.db2.gz LBOKGWVNRRPOKY-UHFFFAOYSA-N 1 0 357.837 4.810 50 0 FJAARO CCc1ccc(CNc2nc3ccccc3n2CC[NH+](CC)CC)cc1 ZINC000005112205 204192938 /nfs/dbraw/zinc/19/29/38/204192938.db2.gz MTGORCAQNCZKDZ-UHFFFAOYSA-N 1 0 350.510 4.553 50 0 FJAARO O=C(C[NH2+]C1CCCC1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000005126653 204193743 /nfs/dbraw/zinc/19/37/43/204193743.db2.gz KVAXVNDEYPXIKB-UHFFFAOYSA-N 1 0 370.305 4.588 50 0 FJAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccc(Cl)nc1 ZINC000005267284 204199764 /nfs/dbraw/zinc/19/97/64/204199764.db2.gz JXTVWGJJGLGGDG-UHFFFAOYSA-N 1 0 374.893 4.674 50 0 FJAARO CCN(CC)c1ccc2cc(C(=O)Nc3c(C)cccc3C)c(=[NH2+])oc2c1 ZINC000006517591 204251882 /nfs/dbraw/zinc/25/18/82/204251882.db2.gz CASUWTKGCBPHGI-UHFFFAOYSA-N 1 0 363.461 4.628 50 0 FJAARO CC[NH+]1CCC(Nc2ncnc3scc(-c4ccc(C)cc4)c32)CC1 ZINC000007467380 204298426 /nfs/dbraw/zinc/29/84/26/204298426.db2.gz LWNLRYDRGCJHFN-UHFFFAOYSA-N 1 0 352.507 4.563 50 0 FJAARO CCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 ZINC000007262330 204292409 /nfs/dbraw/zinc/29/24/09/204292409.db2.gz UCBKYPKOLPQTNU-UHFFFAOYSA-N 1 0 351.849 4.956 50 0 FJAARO CCCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000007261015 204292466 /nfs/dbraw/zinc/29/24/66/204292466.db2.gz NFYJWCCHZWYKKV-UHFFFAOYSA-N 1 0 362.901 4.993 50 0 FJAARO CCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000006811650 204274011 /nfs/dbraw/zinc/27/40/11/204274011.db2.gz ZPRSLNGJTTYSCX-BJKOFHAPSA-N 1 0 367.533 4.953 50 0 FJAARO C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCCc2ccccc21 ZINC000008126675 204317344 /nfs/dbraw/zinc/31/73/44/204317344.db2.gz RZYLYDVIVPJXJB-QGZVFWFLSA-N 1 0 363.288 4.941 50 0 FJAARO CCOc1c(Br)cc(C[NH2+]C2CCCCCC2)cc1OC ZINC000008253334 204323476 /nfs/dbraw/zinc/32/34/76/204323476.db2.gz DZRMOAKCVKDFRM-UHFFFAOYSA-N 1 0 356.304 4.669 50 0 FJAARO Clc1ccccc1[C@H](CNc1ncnc2sccc21)[NH+]1CCCC1 ZINC000008323976 204326402 /nfs/dbraw/zinc/32/64/02/204326402.db2.gz GHYFMAIVKRLNMO-INIZCTEOSA-N 1 0 358.898 4.594 50 0 FJAARO COc1cc(OC)c(OC)cc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000008534507 204334192 /nfs/dbraw/zinc/33/41/92/204334192.db2.gz WBOVQSCIMKMMNA-UBWJNLJSSA-N 1 0 359.510 4.551 50 0 FJAARO COc1ccc2c(/C=C/c3cc[n+](C)cc3)cn(Cc3ccccc3)c2c1 ZINC000009341711 204364238 /nfs/dbraw/zinc/36/42/38/204364238.db2.gz DBOMXRRSCBYLGJ-UHFFFAOYSA-N 1 0 355.461 4.693 50 0 FJAARO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010225064 204391971 /nfs/dbraw/zinc/39/19/71/204391971.db2.gz KWRMJVNWVNHMHU-HNNXBMFYSA-N 1 0 365.452 4.514 50 0 FJAARO CC(C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000010435959 204395777 /nfs/dbraw/zinc/39/57/77/204395777.db2.gz RHFJPJFGRXMGGL-UHFFFAOYSA-N 1 0 352.247 4.665 50 0 FJAARO CC(=O)c1ccccc1OCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000012789236 204495433 /nfs/dbraw/zinc/49/54/33/204495433.db2.gz ZPVVBXXTAYCOCJ-UHFFFAOYSA-N 1 0 362.473 4.629 50 0 FJAARO Cc1c(C[NH2+]CCCCCO)c2ccccc2n1Cc1ccccc1Cl ZINC000013727301 204548895 /nfs/dbraw/zinc/54/88/95/204548895.db2.gz JYHLCACOBXAGFE-UHFFFAOYSA-N 1 0 370.924 4.904 50 0 FJAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccco2)CC1 ZINC000015860056 204624862 /nfs/dbraw/zinc/62/48/62/204624862.db2.gz MHJUMMCMHHRVBI-HXUWFJFHSA-N 1 0 368.521 4.780 50 0 FJAARO CCCOc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1OCC ZINC000020933383 204741371 /nfs/dbraw/zinc/74/13/71/204741371.db2.gz DHQBLNHMWGOCCD-UHFFFAOYSA-N 1 0 352.478 4.688 50 0 FJAARO CCC[C@@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000021169896 204749389 /nfs/dbraw/zinc/74/93/89/204749389.db2.gz CKROAUPDLQCLRP-DHIUTWEWSA-N 1 0 353.506 4.563 50 0 FJAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000032688933 204933946 /nfs/dbraw/zinc/93/39/46/204933946.db2.gz UPGLZRXJWSFDQT-HNNXBMFYSA-N 1 0 369.317 4.622 50 0 FJAARO Cc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036104678 205004817 /nfs/dbraw/zinc/00/48/17/205004817.db2.gz JGYDSUPVEOECOA-DEOSSOPVSA-N 1 0 363.476 4.740 50 0 FJAARO O[C@H](Cc1ccccc1)C[NH+](Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000036102612 205005399 /nfs/dbraw/zinc/00/53/99/205005399.db2.gz HUJBDRMCTWEXPB-HSZRJFAPSA-N 1 0 367.439 4.571 50 0 FJAARO CC(C)C(=O)N(c1ccccc1)C1CCN(Cc2c(F)cccc2F)CC1 ZINC000037560289 205027326 /nfs/dbraw/zinc/02/73/26/205027326.db2.gz KTRWENPLMMUDLV-UHFFFAOYSA-N 1 0 372.459 4.618 50 0 FJAARO CCOc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccccc1C ZINC000040736801 205078842 /nfs/dbraw/zinc/07/88/42/205078842.db2.gz PMIWZLXUNLGNKE-UHFFFAOYSA-N 1 0 362.473 4.658 50 0 FJAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+][C@@H](C)c3ccccc3)cc2)cc1 ZINC000040733000 205079388 /nfs/dbraw/zinc/07/93/88/205079388.db2.gz RYASLIYDCNFAQY-IBGZPJMESA-N 1 0 374.484 4.863 50 0 FJAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+][C@H](C)c3ccccc3)c2)cc1 ZINC000040739066 205079665 /nfs/dbraw/zinc/07/96/65/205079665.db2.gz HOZDDIDBSJFELU-LJQANCHMSA-N 1 0 374.484 4.863 50 0 FJAARO COCCC[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040738909 205079712 /nfs/dbraw/zinc/07/97/12/205079712.db2.gz NCPZTDXEYVIREL-UHFFFAOYSA-N 1 0 354.277 4.699 50 0 FJAARO Cc1c(C[NH2+]CCCCO)c2ccccc2n1Cc1ccccc1Cl ZINC000040744175 205079855 /nfs/dbraw/zinc/07/98/55/205079855.db2.gz IXEUQYLYKHXFIP-UHFFFAOYSA-N 1 0 356.897 4.514 50 0 FJAARO OCCC[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040743827 205080493 /nfs/dbraw/zinc/08/04/93/205080493.db2.gz LZVRNYTYDVJRRJ-UHFFFAOYSA-N 1 0 374.695 4.698 50 0 FJAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]C3CCCCCC3)c2)cc1 ZINC000040739131 205080520 /nfs/dbraw/zinc/08/05/20/205080520.db2.gz CRXKWVGAPTTYSC-UHFFFAOYSA-N 1 0 366.505 4.825 50 0 FJAARO C[NH+](C)CCCNCc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040719520 205077062 /nfs/dbraw/zinc/07/70/62/205077062.db2.gz ZYLQDCMBAHOWAN-UHFFFAOYSA-N 1 0 367.320 4.614 50 0 FJAARO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Cl)c1OC(C)C ZINC000040729245 205078307 /nfs/dbraw/zinc/07/83/07/205078307.db2.gz KTYAAQGLPMOBSE-UHFFFAOYSA-N 1 0 365.876 4.997 50 0 FJAARO Cc1ccc(NC(=O)COc2ccc3ccccc3c2C[NH2+]C(C)C)cc1 ZINC000040736381 205078496 /nfs/dbraw/zinc/07/84/96/205078496.db2.gz URZMBOGCTZDUQG-UHFFFAOYSA-N 1 0 362.473 4.664 50 0 FJAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)c(C)c1 ZINC000044856501 205113154 /nfs/dbraw/zinc/11/31/54/205113154.db2.gz ZVRMCQWATNHWSF-QHCPKHFHSA-N 1 0 364.533 4.783 50 0 FJAARO c1ccc(C(CC[NH2+]CCN2CCc3ccccc3C2)c2ccccc2)cc1 ZINC000043082619 205101558 /nfs/dbraw/zinc/10/15/58/205101558.db2.gz COVZDQYWYUKRQG-UHFFFAOYSA-N 1 0 370.540 4.857 50 0 FJAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000046809192 205138857 /nfs/dbraw/zinc/13/88/57/205138857.db2.gz ACEQBQOMCNQFQD-INIZCTEOSA-N 1 0 356.897 4.644 50 0 FJAARO C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)C1 ZINC000057427729 205240259 /nfs/dbraw/zinc/24/02/59/205240259.db2.gz FMWCJPWJSCACTC-KRWDZBQOSA-N 1 0 363.461 4.548 50 0 FJAARO CC[C@H](C)Oc1c(C[NH2+]Cc2cc3cc(OC)ccc3[nH]2)cccc1OC ZINC000063870066 205296264 /nfs/dbraw/zinc/29/62/64/205296264.db2.gz HTXSVLIPXAFTSS-HNNXBMFYSA-N 1 0 368.477 4.652 50 0 FJAARO Cn1ccnc1C[N@@H+]1CC[C@H](c2ccnc(-c3csc4ccccc34)c2)C1 ZINC000065453057 205351731 /nfs/dbraw/zinc/35/17/31/205351731.db2.gz NVGVWCCCMQWSOQ-KRWDZBQOSA-N 1 0 374.513 4.686 50 0 FJAARO C(=C/c1ccco1)\C[N@@H+]1CC[C@H](c2ccnc(-c3ccc4c(c3)OCO4)c2)C1 ZINC000065382059 205343734 /nfs/dbraw/zinc/34/37/34/205343734.db2.gz QQWYCLGKHVBKAS-UJXFUWLCSA-N 1 0 374.440 4.573 50 0 FJAARO COc1cccc(OC)c1-c1cc([C@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000065407984 205348971 /nfs/dbraw/zinc/34/89/71/205348971.db2.gz RETQEINSBYXJOP-IBGZPJMESA-N 1 0 366.505 4.745 50 0 FJAARO Cc1nc[nH]c1C[N@@H+]1CC[C@@H](c2ccnc(-c3ccc(F)c(Cl)c3)c2)C1 ZINC000067833473 205393812 /nfs/dbraw/zinc/39/38/12/205393812.db2.gz UJCYPTLIIPVFGC-MRXNPFEDSA-N 1 0 370.859 4.562 50 0 FJAARO C[NH+]1CCC(n2cnc(-c3ccccc3)c2-c2cc3ccccc3[nH]2)CC1 ZINC000067674330 205382005 /nfs/dbraw/zinc/38/20/05/205382005.db2.gz SPHRUZKOTPADGS-UHFFFAOYSA-N 1 0 356.473 4.965 50 0 FJAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000015836962 220167560 /nfs/dbraw/zinc/16/75/60/220167560.db2.gz BUEABJZDCDWRHY-FQEVSTJZSA-N 1 0 355.478 4.828 50 0 FJAARO CC[C@H]([NH2+]C)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)cc1 ZINC000072410588 205534014 /nfs/dbraw/zinc/53/40/14/205534014.db2.gz AFFJLOCPPKVNFP-NRFANRHFSA-N 1 0 371.488 4.908 50 0 FJAARO C[C@@H]1C[N@@H+](CCCCOc2ccc(Cl)cc2C(C)(C)C)C[C@H](C)O1 ZINC000016247130 220181847 /nfs/dbraw/zinc/18/18/47/220181847.db2.gz HVDDKMIHPYAPGZ-IYBDPMFKSA-N 1 0 353.934 4.906 50 0 FJAARO CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743325 211758080 /nfs/dbraw/zinc/75/80/80/211758080.db2.gz HWLAIZLNUCFVAL-CQSZACIVSA-N 1 0 372.267 4.572 50 0 FJAARO Cc1ccc(COc2cccc(C[NH2+]CCc3nc4ccccc4[nH]3)c2)cc1 ZINC000113398886 206087841 /nfs/dbraw/zinc/08/78/41/206087841.db2.gz NEDWJLHIZATYIU-UHFFFAOYSA-N 1 0 371.484 4.783 50 0 FJAARO CC(C)Oc1c(Cl)cc(C[NH2+]CCCOc2ccccn2)cc1Cl ZINC000113396629 206088215 /nfs/dbraw/zinc/08/82/15/206088215.db2.gz BZQLFXNDNRGYNZ-UHFFFAOYSA-N 1 0 369.292 4.734 50 0 FJAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@H]3C)CC2)c(C)c1 ZINC000003058566 206157953 /nfs/dbraw/zinc/15/79/53/206157953.db2.gz YYOPNVHKWFFAIH-UTKZUKDTSA-N 1 0 373.610 4.975 50 0 FJAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC=CC[C@H]1Cc1ccccc1 ZINC000004029406 206163307 /nfs/dbraw/zinc/16/33/07/206163307.db2.gz SHPRRBDHATWGCT-AFXVXQJMSA-N 1 0 367.533 4.619 50 0 FJAARO CCN(CC)c1cc(C)c2cc(NC(=O)c3cccc(OC)c3)ccc2n1 ZINC000003894420 206165920 /nfs/dbraw/zinc/16/59/20/206165920.db2.gz DRCASHPXYKKBNO-UHFFFAOYSA-N 1 0 363.461 4.650 50 0 FJAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(C(C)C)CCO1 ZINC000004073515 206166201 /nfs/dbraw/zinc/16/62/01/206166201.db2.gz KTTAQLFNXHNCAF-FCHUYYIVSA-N 1 0 363.542 4.805 50 0 FJAARO O=C(Cn1ccc(=[NH+]Cc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000005683138 206196896 /nfs/dbraw/zinc/19/68/96/206196896.db2.gz CBOCYBYFZWZEKS-UHFFFAOYSA-N 1 0 371.267 4.779 50 0 FJAARO COc1cc(C[NH2+]C2CC2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008471385 206246151 /nfs/dbraw/zinc/24/61/51/206246151.db2.gz OZLJCUJUDRSEQG-UHFFFAOYSA-N 1 0 352.261 4.833 50 0 FJAARO C[C@H](c1cccs1)N(C)Cn1ncn([C@H](C)c2ccccc2)c1=S ZINC000106115962 206232454 /nfs/dbraw/zinc/23/24/54/206232454.db2.gz FTNDAGQIEVLRBK-HUUCEWRRSA-N 1 0 358.536 4.735 50 0 FJAARO O=c1[nH]c(CN(Cc2ccco2)C2CCCC2)nc2c3ccccc3oc21 ZINC000053139772 206233586 /nfs/dbraw/zinc/23/35/86/206233586.db2.gz BNYYAFNQQIRPGK-UHFFFAOYSA-N 1 0 363.417 4.619 50 0 FJAARO CC1(C)CC(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CC(C)(C)[NH2+]1 ZINC000029787704 211517401 /nfs/dbraw/zinc/51/74/01/211517401.db2.gz UCJPIXXVSRZCAF-UHFFFAOYSA-N 1 0 360.498 4.593 50 0 FJAARO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000014250687 206309207 /nfs/dbraw/zinc/30/92/07/206309207.db2.gz JZIILRGFTADVDO-QGZVFWFLSA-N 1 0 360.457 4.798 50 0 FJAARO CC[NH+](CC)[C@H](CNC(=S)Nc1ccc(C)cc1C)c1ccccc1 ZINC000016243057 206316853 /nfs/dbraw/zinc/31/68/53/206316853.db2.gz ZTRWWAAVEZLXQJ-HXUWFJFHSA-N 1 0 355.551 4.673 50 0 FJAARO CN(Cc1ccc(C[NH+]2CCCC2)s1)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000215325986 206345069 /nfs/dbraw/zinc/34/50/69/206345069.db2.gz CVUOZAKGVFDUJJ-UHFFFAOYSA-N 1 0 374.941 4.506 50 0 FJAARO COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)s1 ZINC000215404963 206346646 /nfs/dbraw/zinc/34/66/46/206346646.db2.gz DRNMNUYQESXAAA-QGZVFWFLSA-N 1 0 369.490 4.761 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)cc1F ZINC000216102289 206354684 /nfs/dbraw/zinc/35/46/84/206354684.db2.gz UVADPZQJHLGRKV-NVXWUHKLSA-N 1 0 357.448 4.891 50 0 FJAARO Cc1ccccc1-c1cccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000220206038 206398513 /nfs/dbraw/zinc/39/85/13/206398513.db2.gz XUVYNSVWGCVBSS-UHFFFAOYSA-N 1 0 362.517 4.753 50 0 FJAARO Cc1c(C)n(C[C@@H](O)C[NH2+][C@H](C)c2ccccc2)c2c1cccc2Cl ZINC000028296765 211486197 /nfs/dbraw/zinc/48/61/97/211486197.db2.gz NOZOXHKYFNAUCM-QAPCUYQASA-N 1 0 356.897 4.623 50 0 FJAARO COc1cccc2c1CCC[C@H]2CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000022931097 211370171 /nfs/dbraw/zinc/37/01/71/211370171.db2.gz PHRCDWVPTULQMT-FQEVSTJZSA-N 1 0 370.581 4.846 50 0 in-vivo FJAARO COc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1OCc1c(C)noc1C ZINC000022773491 211363529 /nfs/dbraw/zinc/36/35/29/211363529.db2.gz YHMSQQLGCFGBKM-QEEYODRMSA-N 1 0 372.509 4.793 50 0 FJAARO CCC[N@H+](CCc1c[nH]c2ccc(NC(=O)C3CCC3)cc12)CC1CC1 ZINC000022334392 211346071 /nfs/dbraw/zinc/34/60/71/211346071.db2.gz YIKKWWIHHCLROF-UHFFFAOYSA-N 1 0 353.510 4.571 50 0 FJAARO Cc1cccc(C[N@H+]2CC=C(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 ZINC000021881784 211329222 /nfs/dbraw/zinc/32/92/22/211329222.db2.gz WLSVCIAWNBGBNR-UHFFFAOYSA-N 1 0 354.881 4.728 50 0 FJAARO C[C@@H]([NH2+]Cc1ccc(OCc2cccs2)cc1)[C@H](O)c1ccccc1 ZINC000022076411 211338292 /nfs/dbraw/zinc/33/82/92/211338292.db2.gz AHZFATVSQZPAEZ-IERDGZPVSA-N 1 0 353.487 4.539 50 0 FJAARO CCCC[C@@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000021169919 211309645 /nfs/dbraw/zinc/30/96/45/211309645.db2.gz IYKGXJOCDDWMPD-DNQXCXABSA-N 1 0 367.533 4.953 50 0 FJAARO C[C@H]1C[C@H](C)C[NH+](CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C1 ZINC000021718115 211323507 /nfs/dbraw/zinc/32/35/07/211323507.db2.gz VXRJQTCYAJZLTR-HOTGVXAUSA-N 1 0 363.933 4.562 50 0 FJAARO CCc1ccc(-c2nc3ccccn3c2C[NH2+]CCc2ccccc2)cc1 ZINC000021021927 211303085 /nfs/dbraw/zinc/30/30/85/211303085.db2.gz BGFJCVVDNNTCOQ-UHFFFAOYSA-N 1 0 355.485 4.896 50 0 FJAARO CCOC(=O)C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(C)cc1 ZINC000020506781 211283097 /nfs/dbraw/zinc/28/30/97/211283097.db2.gz BJFCVZITPKOYFQ-GOSISDBHSA-N 1 0 365.395 4.798 50 0 FJAARO O=C(Nc1ccc(F)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019812519 211258095 /nfs/dbraw/zinc/25/80/95/211258095.db2.gz AIXIVPHVXRTSCK-UHFFFAOYSA-N 1 0 360.432 4.636 50 0 FJAARO Cc1oc(-c2ccoc2)nc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000019143414 211203725 /nfs/dbraw/zinc/20/37/25/211203725.db2.gz DVXLAKNXUZPLEI-OAHLLOKOSA-N 1 0 363.417 4.764 50 0 FJAARO CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000018936062 211200758 /nfs/dbraw/zinc/20/07/58/211200758.db2.gz HJECJKVMQYTXGA-UHFFFAOYSA-N 1 0 363.866 4.544 50 0 FJAARO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000017309594 211184763 /nfs/dbraw/zinc/18/47/63/211184763.db2.gz VXQVQKSWDNWYRO-IBGZPJMESA-N 1 0 368.484 4.844 50 0 FJAARO Cc1ccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)[NH+](C)C)cc1 ZINC000015859871 211148478 /nfs/dbraw/zinc/14/84/78/211148478.db2.gz MPHIGBJTUNGGCB-MRXNPFEDSA-N 1 0 372.921 4.896 50 0 FJAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccccc2C)CC1 ZINC000015679752 211137669 /nfs/dbraw/zinc/13/76/69/211137669.db2.gz AVTZDWHWNDZGAQ-UHFFFAOYSA-N 1 0 357.523 4.575 50 0 FJAARO O=C(C1CCCC1)N1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000015074255 211120366 /nfs/dbraw/zinc/12/03/66/211120366.db2.gz AYILSPZKGHOJJO-FQEVSTJZSA-N 1 0 374.956 4.591 50 0 FJAARO Cc1sc2[nH]c([C@@H](C)[NH2+][C@@H](C)c3cc(C)ccc3C)nc(=O)c2c1C ZINC000014233860 211086924 /nfs/dbraw/zinc/08/69/24/211086924.db2.gz KVZOMRKOXNTJCW-UONOGXRCSA-N 1 0 355.507 4.630 50 0 FJAARO OCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000013727283 211054551 /nfs/dbraw/zinc/05/45/51/211054551.db2.gz HNNNOAVNKAWHRF-UHFFFAOYSA-N 1 0 368.304 4.825 50 0 FJAARO OCCCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013727260 211053411 /nfs/dbraw/zinc/05/34/11/211053411.db2.gz HQZXPWNFFBMTJD-UHFFFAOYSA-N 1 0 372.690 4.615 50 0 FJAARO Fc1cccc(NC(=S)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)c1 ZINC000013720241 211052599 /nfs/dbraw/zinc/05/25/99/211052599.db2.gz GAWSWIZBOYNIGV-LJQANCHMSA-N 1 0 363.546 4.643 50 0 FJAARO C[C@@H]([NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccc(Cl)cc1 ZINC000013040190 211021717 /nfs/dbraw/zinc/02/17/17/211021717.db2.gz ZCGIWGLKICHLQU-HUUCEWRRSA-N 1 0 374.937 4.908 50 0 FJAARO CCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2CCC ZINC000009942391 210857838 /nfs/dbraw/zinc/85/78/38/210857838.db2.gz JJSAZIHMZQWSEA-UHFFFAOYSA-N 1 0 356.514 4.561 50 0 FJAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccccc1F ZINC000008472271 210788673 /nfs/dbraw/zinc/78/86/73/210788673.db2.gz QNITYKNOYQIOMO-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000004700161 210554309 /nfs/dbraw/zinc/55/43/09/210554309.db2.gz DZVYDNXWBANDAH-UHFFFAOYSA-N 1 0 370.924 4.601 50 0 FJAARO C[NH+](C)CCCN(C(=O)c1ccccc1)c1nc2c(cccc2Cl)s1 ZINC000004359784 210526838 /nfs/dbraw/zinc/52/68/38/210526838.db2.gz FVEMJIMYSVKAQU-UHFFFAOYSA-N 1 0 373.909 4.548 50 0 FJAARO CCC[C@@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002907739 210435340 /nfs/dbraw/zinc/43/53/40/210435340.db2.gz BHPDOOMSPWWFHP-DNQXCXABSA-N 1 0 367.533 4.953 50 0 FJAARO O=C1Cc2ccccc2Sc2cc(OCCC[NH+]3CCCCC3)ccc21 ZINC000002049848 210377192 /nfs/dbraw/zinc/37/71/92/210377192.db2.gz HVBFDMQTIYPSNN-UHFFFAOYSA-N 1 0 367.514 4.831 50 0 FJAARO CC[NH+](CC)CCCNc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000001832585 210374030 /nfs/dbraw/zinc/37/40/30/210374030.db2.gz LOJPHQUCHILPOX-UHFFFAOYSA-N 1 0 358.486 4.641 50 0 FJAARO O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000001729523 210367449 /nfs/dbraw/zinc/36/74/49/210367449.db2.gz VKLJPGAHSLIQKH-CTNGQTDRSA-N 1 0 352.865 4.731 50 0 in-vitro FJAARO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000022783224 220398941 /nfs/dbraw/zinc/39/89/41/220398941.db2.gz BMXFQJBJIGJRRP-LLVKDONJSA-N 1 0 370.276 4.870 50 0 FJAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1cccc2ccccc21 ZINC000031664284 220642388 /nfs/dbraw/zinc/64/23/88/220642388.db2.gz XXYPHEIXMVNLIB-UHFFFAOYSA-N 1 0 359.473 4.757 50 0 FJAARO CC[NH2+]Cc1cc(Cl)c(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000040742642 220919771 /nfs/dbraw/zinc/91/97/71/220919771.db2.gz FQQPHCXWLZIBRV-UHFFFAOYSA-N 1 0 358.240 4.830 50 0 FJAARO C[NH+](C)C(C)(C)Cn1cnc(-c2ccccc2)c1COCc1ccccc1 ZINC000065369905 221203449 /nfs/dbraw/zinc/20/34/49/221203449.db2.gz FIBGTXMHHGFFGH-UHFFFAOYSA-N 1 0 363.505 4.607 50 0 FJAARO Cc1ccccc1-c1ncc(C[NH2+]Cc2ccc3c(c2)OCCCO3)s1 ZINC000065397570 221212276 /nfs/dbraw/zinc/21/22/76/221212276.db2.gz AUIPNYOFMJZDTR-UHFFFAOYSA-N 1 0 366.486 4.570 50 0 FJAARO Fc1cccc(-c2noc3c2C[N@H+](CCc2c[nH]c4ccccc24)CC3)c1 ZINC000067758928 221283146 /nfs/dbraw/zinc/28/31/46/221283146.db2.gz BGIOXZKRANFGIZ-UHFFFAOYSA-N 1 0 361.420 4.563 50 0 FJAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071708133 221355053 /nfs/dbraw/zinc/35/50/53/221355053.db2.gz COMFPAJOQURGGX-INIZCTEOSA-N 1 0 365.443 4.592 50 0 FJAARO CO[C@@H](C[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)c1ccccc1 ZINC000071821856 221380390 /nfs/dbraw/zinc/38/03/90/221380390.db2.gz GRNUXKHCIGDUDV-NRFANRHFSA-N 1 0 369.896 4.620 50 0 FJAARO Nc1ncccc1C[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071764798 221371953 /nfs/dbraw/zinc/37/19/53/221371953.db2.gz PZKBWJPOMOBVJX-OAHLLOKOSA-N 1 0 363.427 4.527 50 0 FJAARO CC1(C)CC(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC(C)(C)[NH2+]1 ZINC000071796270 221376736 /nfs/dbraw/zinc/37/67/36/221376736.db2.gz WRGNEXHGIKMQKU-UHFFFAOYSA-N 1 0 362.945 4.577 50 0 FJAARO CC[NH2+]CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000001849671 132382520 /nfs/dbraw/zinc/38/25/20/132382520.db2.gz BUEMVSKYODJMFI-UHFFFAOYSA-N 1 0 366.408 4.834 50 0 FJAARO CCCCOc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000002893743 132384354 /nfs/dbraw/zinc/38/43/54/132384354.db2.gz SSOGAYJZKRGNRQ-UHFFFAOYSA-N 1 0 358.913 4.841 50 0 FJAARO CC[NH+](CC)Cc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 ZINC000091695368 221784913 /nfs/dbraw/zinc/78/49/13/221784913.db2.gz BWWADZCOWGKDOE-UHFFFAOYSA-N 1 0 351.416 4.675 50 0 FJAARO C[C@H]([NH2+]C1(CNCc2cnc(C3CC3)s2)CCCC1)c1ccccc1 ZINC000097015936 222151138 /nfs/dbraw/zinc/15/11/38/222151138.db2.gz DVRNCKAHCAFCGG-INIZCTEOSA-N 1 0 355.551 4.774 50 0 FJAARO CC(C)c1nc2sc3c(ncnc3SCC[NH+](C)C)c2c2c1CCC2 ZINC000002221994 263145081 /nfs/dbraw/zinc/14/50/81/263145081.db2.gz LMJNIHKESOOYQM-UHFFFAOYSA-N 1 0 372.563 4.505 50 0 FJAARO COc1cc(OC)c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc1Br ZINC000002498643 263145511 /nfs/dbraw/zinc/14/55/11/263145511.db2.gz HTDDXJUOHOGXSM-CZUORRHYSA-N 1 0 368.315 4.621 50 0 FJAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH2+]CCc2ccco2)o1 ZINC000019744893 263375475 /nfs/dbraw/zinc/37/54/75/263375475.db2.gz ZTGPFVFCGDMLDT-UHFFFAOYSA-N 1 0 365.408 4.505 50 0 FJAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000020930181 520297018 /nfs/dbraw/zinc/29/70/18/520297018.db2.gz GMYYSRDSROIKDK-UHFFFAOYSA-N 1 0 368.260 4.801 50 0 FJAARO CCCCOc1ccccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000020868995 520910746 /nfs/dbraw/zinc/91/07/46/520910746.db2.gz DKPKFGPHXCEIGR-FQEVSTJZSA-N 1 0 372.553 4.736 50 0 FJAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)CCC)ccc21 ZINC000020594958 521361587 /nfs/dbraw/zinc/36/15/87/521361587.db2.gz NXHQFROHAZZKNE-UHFFFAOYSA-N 1 0 370.541 4.951 50 0 FJAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000245310086 525272813 /nfs/dbraw/zinc/27/28/13/525272813.db2.gz HMOJGKUPOBIJBW-VXNXHJTFSA-N 1 0 365.517 4.872 50 0 FJAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000239164903 525714959 /nfs/dbraw/zinc/71/49/59/525714959.db2.gz NDHOPVCXDQDCPC-NTMFSWBNSA-N 1 0 357.497 5.072 50 0 FJAARO Cc1ccc(C(C)C)c(OCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020118191 526248177 /nfs/dbraw/zinc/24/81/77/526248177.db2.gz QNUNVQVNDQHGCE-UHFFFAOYSA-N 1 0 366.549 4.705 50 0 FJAARO O[C@H](CN1c2ccccc2Sc2ccccc21)C[NH+]1CCCCCC1 ZINC000000706989 526274632 /nfs/dbraw/zinc/27/46/32/526274632.db2.gz FVPBECKJQJHQAY-KRWDZBQOSA-N 1 0 354.519 4.526 50 0 FJAARO Fc1ccc(-c2ccc(CNC3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000020477332 526314044 /nfs/dbraw/zinc/31/40/44/526314044.db2.gz FZKIFTYFXDFFDN-UHFFFAOYSA-N 1 0 364.464 4.840 50 0 FJAARO O[C@](C[NH2+]Cc1cccc(Cl)c1)(c1ccccc1)c1ccc(F)cc1 ZINC000020365954 526318419 /nfs/dbraw/zinc/31/84/19/526318419.db2.gz UCHRBQPSBFRIHH-OAQYLSRUSA-N 1 0 355.840 4.505 50 0 FJAARO CCC[NH+](CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1 ZINC000000598622 560178484 /nfs/dbraw/zinc/17/84/84/560178484.db2.gz YBLIQJGXRLZBCZ-UHFFFAOYSA-N 1 0 355.522 4.981 50 0 in-vitro FJAARO Fc1ccc(F)c(-c2c[nH]nc2[C@@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)c1 ZINC000216076815 568104276 /nfs/dbraw/zinc/10/42/76/568104276.db2.gz IHNDGWAXWUSDLN-HZPDHXFCSA-N 1 0 357.448 4.891 50 0 FJAARO CCOC(=O)N1CCC([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000000757899 570455380 /nfs/dbraw/zinc/45/53/80/570455380.db2.gz VLQNFQKQXKPXFT-FQEVSTJZSA-N 1 0 372.896 4.640 50 0 FJAARO CCN(Cc1c(F)cccc1Cl)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095384147 570459484 /nfs/dbraw/zinc/45/94/84/570459484.db2.gz BQMUFEATOVGXAN-QGZVFWFLSA-N 1 0 374.887 4.608 50 0 FJAARO CC(C)(C)[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000846722 570460226 /nfs/dbraw/zinc/46/02/26/570460226.db2.gz PAESBFXBNGSCDM-CQSZACIVSA-N 1 0 365.304 4.850 50 0 FJAARO Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2=C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000000848796 570460265 /nfs/dbraw/zinc/46/02/65/570460265.db2.gz KVPMZTMVCZWXSC-PKTZIBPZSA-N 1 0 374.528 4.739 50 0 FJAARO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000095506694 570464208 /nfs/dbraw/zinc/46/42/08/570464208.db2.gz UAKDROIOJRBSEX-LJQANCHMSA-N 1 0 361.489 4.895 50 0 FJAARO c1ccc(C2(c3ccccc3)CCC[N@@H+](Cc3nnc(C4CC4)o3)C2)cc1 ZINC000095507010 570464288 /nfs/dbraw/zinc/46/42/88/570464288.db2.gz XWQKYIHXNDROCW-UHFFFAOYSA-N 1 0 359.473 4.529 50 0 FJAARO O=C(Nc1ccc(Cl)c2ccccc12)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000095517833 570466427 /nfs/dbraw/zinc/46/64/27/570466427.db2.gz DDNXLPPNEBFNTJ-OAHLLOKOSA-N 1 0 357.885 4.585 50 0 FJAARO Brc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000002506655 570522672 /nfs/dbraw/zinc/52/26/72/570522672.db2.gz DNHBOKSBUKGKMI-UHFFFAOYSA-N 1 0 355.073 4.501 50 0 FJAARO CC[C@H](C)NC(=O)[C@H]1CC[C@H](c2ccc(F)cc2)[N@H+](Cc2ccccc2)C1 ZINC000034669943 570527106 /nfs/dbraw/zinc/52/71/06/570527106.db2.gz OUAQBDHTYHZCNA-RBDMOPTHSA-N 1 0 368.496 4.694 50 0 FJAARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034682617 570531641 /nfs/dbraw/zinc/53/16/41/570531641.db2.gz NLIVOYOWWTXLHR-UHFFFAOYSA-N 1 0 374.887 4.887 50 0 FJAARO CCCOc1ccc([C@@](O)(CC[NH+]2CCCCC2)c2cccc(C)c2)cc1 ZINC000002810474 570533686 /nfs/dbraw/zinc/53/36/86/570533686.db2.gz OPRJXLALLTVEEO-DEOSSOPVSA-N 1 0 367.533 4.896 50 0 FJAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCCOc2ccccn2)o1 ZINC000113397463 570543788 /nfs/dbraw/zinc/54/37/88/570543788.db2.gz VWJYIWTYFHOXTB-UHFFFAOYSA-N 1 0 356.853 4.862 50 0 FJAARO Cc1cccc(COc2cccc(C[NH2+]CCc3nc4ccccc4[nH]3)c2)c1 ZINC000113401444 570544253 /nfs/dbraw/zinc/54/42/53/570544253.db2.gz DITNFOZSLWHDEX-UHFFFAOYSA-N 1 0 371.484 4.783 50 0 FJAARO COc1ccccc1[C@]1(CC[NH2+]Cc2ccco2)CCO[C@@H](C(C)C)C1 ZINC000004043415 570573941 /nfs/dbraw/zinc/57/39/41/570573941.db2.gz RRBSQXXIPSHAEE-FGZHOGPDSA-N 1 0 357.494 4.541 50 0 FJAARO CC1CC[NH+](Cc2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 ZINC000038546327 570594439 /nfs/dbraw/zinc/59/44/39/570594439.db2.gz JZBUEOCDFOSTOH-UHFFFAOYSA-N 1 0 358.507 4.704 50 0 FJAARO Fc1cccc(C[NH+]2CCC(c3n[nH]cc3-c3ccccc3)CC2)c1F ZINC000011785191 570595218 /nfs/dbraw/zinc/59/52/18/570595218.db2.gz OTTNESLUTCJOPI-UHFFFAOYSA-N 1 0 353.416 4.735 50 0 FJAARO COc1cc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)cc(OC)c1OC ZINC000426487340 570608282 /nfs/dbraw/zinc/60/82/82/570608282.db2.gz KEHMMGIQICOKKK-INIZCTEOSA-N 1 0 355.478 4.926 50 0 FJAARO CC1(C)CC(NC(=O)c2ccccc2CCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000004832531 570609127 /nfs/dbraw/zinc/60/91/27/570609127.db2.gz MLXZRYQNWVXGRP-UHFFFAOYSA-N 1 0 364.533 4.511 50 0 FJAARO C[C@H](CCc1ccccc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004981336 570615641 /nfs/dbraw/zinc/61/56/41/570615641.db2.gz DTIZNRFBKSXDAV-QGZVFWFLSA-N 1 0 362.439 4.849 50 0 FJAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000004980297 570615691 /nfs/dbraw/zinc/61/56/91/570615691.db2.gz TXPIKTHCMKXRPK-HNNXBMFYSA-N 1 0 366.402 4.598 50 0 FJAARO COc1ccc(CC[NH+](Cc2ccccc2)Cc2ccccc2)cc1OC ZINC000035271407 570630804 /nfs/dbraw/zinc/63/08/04/570630804.db2.gz STZANEALKZBIMI-UHFFFAOYSA-N 1 0 361.485 4.949 50 0 FJAARO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccncc2)cc1 ZINC000008418814 570681652 /nfs/dbraw/zinc/68/16/52/570681652.db2.gz WTZMDJQNZGORAG-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO COc1cccc(-c2nc3cc(Cl)ccc3cc2C[NH2+]C2CC2)c1OC ZINC000011790185 570707056 /nfs/dbraw/zinc/70/70/56/570707056.db2.gz AMDQFQLUVZCVRM-UHFFFAOYSA-N 1 0 368.864 4.824 50 0 FJAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3ccc(Cl)s3)c2C)cc1 ZINC000011818312 570708077 /nfs/dbraw/zinc/70/80/77/570708077.db2.gz BIVFAUWOAWZPEA-GFCCVEGCSA-N 1 0 361.898 4.755 50 0 FJAARO Cc1c([C@@H](C)[NH2+]C2CCSCC2)cnn1-c1cccc2ccccc21 ZINC000011818557 570708353 /nfs/dbraw/zinc/70/83/53/570708353.db2.gz DLNWKXHWYBXLNX-OAHLLOKOSA-N 1 0 351.519 4.880 50 0 FJAARO Cc1cc(C)c(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)cc1C ZINC000011843100 570709274 /nfs/dbraw/zinc/70/92/74/570709274.db2.gz VNTNPCOBOYPBLS-UHFFFAOYSA-N 1 0 367.533 4.655 50 0 FJAARO Cc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000011911992 570711438 /nfs/dbraw/zinc/71/14/38/570711438.db2.gz QIAFTRDBLUIJCZ-UHFFFAOYSA-N 1 0 373.500 4.700 50 0 FJAARO Cc1c(C[NH2+]Cc2cc3cccc(C)c3nc2-c2cccs2)cnn1C ZINC000012031857 570714631 /nfs/dbraw/zinc/71/46/31/570714631.db2.gz YKHZLRBUENPPHD-UHFFFAOYSA-N 1 0 362.502 4.603 50 0 FJAARO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000012197985 570726743 /nfs/dbraw/zinc/72/67/43/570726743.db2.gz UOERYGBEQSEUMT-QHCPKHFHSA-N 1 0 356.469 4.844 50 0 FJAARO O=C(Nc1cccc(F)c1)[C@@H]1CC12CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000012204602 570727678 /nfs/dbraw/zinc/72/76/78/570727678.db2.gz UWDDWBDYPHTKBD-IBGZPJMESA-N 1 0 372.871 4.720 50 0 FJAARO CCOc1cccc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 ZINC000012298966 570733235 /nfs/dbraw/zinc/73/32/35/570733235.db2.gz FKDNBFQNLZCPJY-HNNXBMFYSA-N 1 0 353.441 4.569 50 0 FJAARO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000012303720 570734473 /nfs/dbraw/zinc/73/44/73/570734473.db2.gz OWWATPBUIZLSBP-HNNXBMFYSA-N 1 0 353.409 4.862 50 0 FJAARO O=C(CCC1CC[NH+](Cc2cc3ccccc3s2)CC1)N1CCCC1 ZINC000012385929 570741278 /nfs/dbraw/zinc/74/12/78/570741278.db2.gz FRBHZZAICUAZJQ-UHFFFAOYSA-N 1 0 356.535 4.516 50 0 FJAARO Fc1ccc(N[C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)cc1 ZINC000012431299 570744312 /nfs/dbraw/zinc/74/43/12/570744312.db2.gz FIYVOBYGADRCGZ-KRWDZBQOSA-N 1 0 350.384 4.504 50 0 FJAARO O=C(CCC1CC[NH+](C2CCCCC2)CC1)NCc1cccc(Cl)c1 ZINC000012457846 570747646 /nfs/dbraw/zinc/74/76/46/570747646.db2.gz QJVOHCSADWGPJH-UHFFFAOYSA-N 1 0 362.945 4.781 50 0 FJAARO Cc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000017311311 570749209 /nfs/dbraw/zinc/74/92/09/570749209.db2.gz YFMWBQLAHKMYPD-UHFFFAOYSA-N 1 0 368.484 4.592 50 0 FJAARO CC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1 ZINC000012572090 570750926 /nfs/dbraw/zinc/75/09/26/570750926.db2.gz HYOJDFKTIFXSFW-CYBMUJFWSA-N 1 0 369.415 4.512 50 0 FJAARO CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000002871572 570768699 /nfs/dbraw/zinc/76/86/99/570768699.db2.gz JMQWUCIOHZDXAV-UHFFFAOYSA-N 1 0 372.896 4.977 50 0 FJAARO Cc1ccc(Cl)c(OC[C@@H](O)Cn2c3ccccc3nc2C(C)C)c1 ZINC000013425422 570777536 /nfs/dbraw/zinc/77/75/36/570777536.db2.gz GAKXMGPYGDIPID-HNNXBMFYSA-N 1 0 358.869 4.561 50 0 FJAARO COc1ccccc1CC[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000013719225 570786462 /nfs/dbraw/zinc/78/64/62/570786462.db2.gz WZRKQQFJJJMTTA-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO Clc1ccc(CC[NH2+]Cc2cccc(Oc3ncccn3)c2)c(Cl)c1 ZINC000013723422 570787234 /nfs/dbraw/zinc/78/72/34/570787234.db2.gz STDUZYBDYQSQBA-UHFFFAOYSA-N 1 0 374.271 4.908 50 0 FJAARO COc1cc(C[NH2+]CC(C)C)ccc1OCc1ccc(F)cc1Cl ZINC000006883586 570787479 /nfs/dbraw/zinc/78/74/79/570787479.db2.gz ZVRFJLVJJPXFQO-UHFFFAOYSA-N 1 0 351.849 4.812 50 0 FJAARO CC(C)(C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000032752726 570792142 /nfs/dbraw/zinc/79/21/42/570792142.db2.gz QPCKYBWIRBQYRZ-UHFFFAOYSA-N 1 0 350.506 4.612 50 0 FJAARO CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](C(C)C)C2 ZINC000013878730 570794790 /nfs/dbraw/zinc/79/47/90/570794790.db2.gz JMSPCTGDYFVMJZ-UHFFFAOYSA-N 1 0 371.531 4.750 50 0 FJAARO CCCOc1ccc([C@@](O)(CC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004525377 570818457 /nfs/dbraw/zinc/81/84/57/570818457.db2.gz IMIOSFKKPDWRDY-HSZRJFAPSA-N 1 0 353.506 4.587 50 0 FJAARO CSC[C@@H](C)[NH+]1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000014950375 570826250 /nfs/dbraw/zinc/82/62/50/570826250.db2.gz ZBNZJOSZOJNKES-CYBMUJFWSA-N 1 0 372.937 4.661 50 0 FJAARO CCC[NH+]1CCC(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)CC1 ZINC000014964424 570827489 /nfs/dbraw/zinc/82/74/89/570827489.db2.gz XCEVCCHXOGZRCE-UHFFFAOYSA-N 1 0 361.489 4.895 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000015070579 570831474 /nfs/dbraw/zinc/83/14/74/570831474.db2.gz PPEIFBWMCASMCQ-HNNXBMFYSA-N 1 0 371.406 4.874 50 0 FJAARO O=C(C1CCCC1)N1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000015074254 570832073 /nfs/dbraw/zinc/83/20/73/570832073.db2.gz AYILSPZKGHOJJO-HXUWFJFHSA-N 1 0 374.956 4.591 50 0 FJAARO CC1CC[NH+]([C@H](CNC(=O)C(C)(C)c2ccccc2)c2cccs2)CC1 ZINC000032903736 570842312 /nfs/dbraw/zinc/84/23/12/570842312.db2.gz QGLOGOJAZYHZFN-LJQANCHMSA-N 1 0 370.562 4.615 50 0 FJAARO Fc1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(F)cc2)cc1 ZINC000016449692 570856219 /nfs/dbraw/zinc/85/62/19/570856219.db2.gz HMUILGXSBHGLJA-UHFFFAOYSA-N 1 0 353.412 4.876 50 0 FJAARO Fc1ccc(COc2ccccc2C[NH2+]CCc2ccccc2F)cc1 ZINC000016449561 570856277 /nfs/dbraw/zinc/85/62/77/570856277.db2.gz DIRHQDMMOUZVOE-UHFFFAOYSA-N 1 0 353.412 4.876 50 0 FJAARO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000016525876 570857658 /nfs/dbraw/zinc/85/76/58/570857658.db2.gz ROVIFVHBXMNNKU-FQEVSTJZSA-N 1 0 365.448 4.827 50 0 FJAARO Cc1oc(-c2ccoc2)nc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000019143419 570881244 /nfs/dbraw/zinc/88/12/44/570881244.db2.gz DVXLAKNXUZPLEI-HNNXBMFYSA-N 1 0 363.417 4.764 50 0 FJAARO CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000010814875 570938283 /nfs/dbraw/zinc/93/82/83/570938283.db2.gz NAIJPKJHTAKSJV-UHFFFAOYSA-N 1 0 352.478 4.518 50 0 FJAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000022078181 570939012 /nfs/dbraw/zinc/93/90/12/570939012.db2.gz QZDKTMYGVONXAB-UZLBHIALSA-N 1 0 358.570 4.656 50 0 FJAARO COc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)cc1O ZINC000048310696 570943856 /nfs/dbraw/zinc/94/38/56/570943856.db2.gz HBCRAZUPGCAQPY-UHFFFAOYSA-N 1 0 353.393 4.622 50 0 FJAARO c1ccc(-c2ccc(N3CCC([NH2+]CCc4ccncc4)CC3)cc2)cc1 ZINC000023158616 570957956 /nfs/dbraw/zinc/95/79/56/570957956.db2.gz GQFRPSSRMPYYRT-UHFFFAOYSA-N 1 0 357.501 4.550 50 0 FJAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3cc4ccccc4[nH]3)c2C)cc1 ZINC000023478148 570964477 /nfs/dbraw/zinc/96/44/77/570964477.db2.gz IEEHBYXKZGYHIR-OAHLLOKOSA-N 1 0 360.461 4.521 50 0 FJAARO Cc1sc2ncnc(NC[C@@H](c3cccs3)[NH+]3CCCC3)c2c1C ZINC000024153168 570972327 /nfs/dbraw/zinc/97/23/27/570972327.db2.gz FPUKWWIGZYYORY-AWEZNQCLSA-N 1 0 358.536 4.619 50 0 FJAARO CC1(C)CC(=O)C[C@]2(C1)[NH2+]C[C@@H](c1ccccc1)c1c3ccccc3[nH]c12 ZINC000025721237 570999794 /nfs/dbraw/zinc/99/97/94/570999794.db2.gz RDUOSIUGTZVTHR-YADARESESA-N 1 0 358.485 4.878 50 0 FJAARO Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000027581659 571014367 /nfs/dbraw/zinc/01/43/67/571014367.db2.gz PBBNFLVHTQHIIW-OAQYLSRUSA-N 1 0 370.924 4.534 50 0 FJAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1ccccc1 ZINC000027582714 571014418 /nfs/dbraw/zinc/01/44/18/571014418.db2.gz QOUMJVCAQYQYOW-HXUWFJFHSA-N 1 0 356.897 4.687 50 0 FJAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1ccccc1F ZINC000027582779 571015028 /nfs/dbraw/zinc/01/50/28/571015028.db2.gz UTVWPQLMMUSJDC-HXUWFJFHSA-N 1 0 374.887 4.826 50 0 FJAARO Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCCC2)cc1 ZINC000027582740 571015109 /nfs/dbraw/zinc/01/51/09/571015109.db2.gz PCNDSLWCGGMEFZ-NRFANRHFSA-N 1 0 370.924 4.996 50 0 FJAARO CCC(CC)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027664251 571018186 /nfs/dbraw/zinc/01/81/86/571018186.db2.gz MSUUIDWSCUEUBI-LJQANCHMSA-N 1 0 350.934 4.810 50 0 FJAARO O=C(Cc1ccccc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027749285 571020449 /nfs/dbraw/zinc/02/04/49/571020449.db2.gz MLRCAEJESKGIRC-NRFANRHFSA-N 1 0 370.924 4.616 50 0 FJAARO Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000028292914 571030913 /nfs/dbraw/zinc/03/09/13/571030913.db2.gz DKNBTAPJKNEOKV-QGZVFWFLSA-N 1 0 368.502 4.678 50 0 FJAARO CCN(CC)CC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428334 571032568 /nfs/dbraw/zinc/03/25/68/571032568.db2.gz PGBDZRXTXIQVMK-UHFFFAOYSA-N 1 0 369.940 4.774 50 0 FJAARO c1ccc(C2CCC(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000225450290 571036281 /nfs/dbraw/zinc/03/62/81/571036281.db2.gz KGGVADKXESQGMO-IRSIHTCSSA-N 1 0 357.538 4.620 50 0 FJAARO COc1ccc(NC(=O)c2ccc(C[NH2+][C@H](C)c3ccccc3)cc2)cc1 ZINC000008324800 571040186 /nfs/dbraw/zinc/04/01/86/571040186.db2.gz OYQJCUUPLQJADO-QGZVFWFLSA-N 1 0 360.457 4.798 50 0 FJAARO C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000029483802 571040372 /nfs/dbraw/zinc/04/03/72/571040372.db2.gz NWNLBXIHYPINLX-HSZRJFAPSA-N 1 0 356.469 4.911 50 0 FJAARO CCc1cccc(C)c1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000072294147 571050064 /nfs/dbraw/zinc/05/00/64/571050064.db2.gz DRSVREICQLEHSX-LJQANCHMSA-N 1 0 365.521 4.686 50 0 FJAARO CCCC[N@H+](C)Cc1c(=O)c2cc(OC)ccc2[nH]c1-c1ccccc1 ZINC000008572497 571050554 /nfs/dbraw/zinc/05/05/54/571050554.db2.gz SYDOWOUZLYGEKI-UHFFFAOYSA-N 1 0 350.462 4.848 50 0 FJAARO CCCCc1nc2ccccc2c(NC(=O)C[NH+]2CCCC2)c1CCC ZINC000003077640 571053249 /nfs/dbraw/zinc/05/32/49/571053249.db2.gz FTJKDSUCQAIJIY-UHFFFAOYSA-N 1 0 353.510 4.564 50 0 FJAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087174 571061957 /nfs/dbraw/zinc/06/19/57/571061957.db2.gz GFHNOLSKXCVYAO-MRXNPFEDSA-N 1 0 361.507 4.891 50 0 FJAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccc(F)c2)c(OC)c1OC ZINC000033087135 571062132 /nfs/dbraw/zinc/06/21/32/571062132.db2.gz YWFBYBBZJDLFPV-IBGZPJMESA-N 1 0 373.468 4.969 50 0 FJAARO c1coc(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)c1 ZINC000012741342 571063508 /nfs/dbraw/zinc/06/35/08/571063508.db2.gz KDWFFTQVAQUJEB-UHFFFAOYSA-N 1 0 363.486 4.585 50 0 FJAARO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3cccc(C)c3)ccc2c1 ZINC000012751255 571075983 /nfs/dbraw/zinc/07/59/83/571075983.db2.gz GDQWSDRVTJWXKN-QGZVFWFLSA-N 1 0 362.473 4.616 50 0 FJAARO CCc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(CC)cc2)on1 ZINC000035511255 571076845 /nfs/dbraw/zinc/07/68/45/571076845.db2.gz XCTPFPLBWKEAIR-LJQANCHMSA-N 1 0 350.466 4.527 50 0 FJAARO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)C1 ZINC000040107917 571078192 /nfs/dbraw/zinc/07/81/92/571078192.db2.gz BJJPGZVZFUIYQQ-KRWDZBQOSA-N 1 0 361.489 4.581 50 0 FJAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1Cl ZINC000012772299 571091859 /nfs/dbraw/zinc/09/18/59/571091859.db2.gz KNUKJVWZNJZMQA-MRXNPFEDSA-N 1 0 356.897 4.817 50 0 FJAARO Clc1cccc(Cl)c1COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000040722746 571093227 /nfs/dbraw/zinc/09/32/27/571093227.db2.gz QBSLFUZLYAKZCM-MRXNPFEDSA-N 1 0 366.288 4.841 50 0 FJAARO COc1cc(Cl)cc(C[NH2+]CCc2ccccc2F)c1OC(C)C ZINC000040728343 571093613 /nfs/dbraw/zinc/09/36/13/571093613.db2.gz HHIMDGOKWQAVMV-UHFFFAOYSA-N 1 0 351.849 4.607 50 0 FJAARO Clc1ccc(COc2ccccc2C[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000040732376 571094338 /nfs/dbraw/zinc/09/43/38/571094338.db2.gz IOJMYGYDMYYMBG-INIZCTEOSA-N 1 0 366.288 4.841 50 0 FJAARO CC(C)OCCC[NH2+]Cc1ccccc1OCc1c(F)cccc1Cl ZINC000040732299 571094362 /nfs/dbraw/zinc/09/43/62/571094362.db2.gz KEQSLFWJALTNFD-UHFFFAOYSA-N 1 0 365.876 4.963 50 0 FJAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+][C@H](C)c3ccccc3)cc2)cc1 ZINC000040733003 571094900 /nfs/dbraw/zinc/09/49/00/571094900.db2.gz RYASLIYDCNFAQY-LJQANCHMSA-N 1 0 374.484 4.863 50 0 FJAARO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000084656041 571095226 /nfs/dbraw/zinc/09/52/26/571095226.db2.gz CGFWEOJYWXJTOX-PBHICJAKSA-N 1 0 369.415 4.955 50 0 FJAARO C[C@@H](O)C[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040743992 571096113 /nfs/dbraw/zinc/09/61/13/571096113.db2.gz WVRSQOWJOIDSSF-CQSZACIVSA-N 1 0 373.855 4.682 50 0 FJAARO OCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743563 571096184 /nfs/dbraw/zinc/09/61/84/571096184.db2.gz LAFCMQQBAFZRNV-UHFFFAOYSA-N 1 0 368.304 4.825 50 0 FJAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000012778759 571097278 /nfs/dbraw/zinc/09/72/78/571097278.db2.gz QEKNDLQXVJKLBT-INIZCTEOSA-N 1 0 356.897 4.817 50 0 FJAARO CC(C)(c1ccccc1)c1ccc(O[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774863 571098928 /nfs/dbraw/zinc/09/89/28/571098928.db2.gz UDKDYAHSQWCJOQ-KRWDZBQOSA-N 1 0 374.322 4.906 50 0 FJAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1C ZINC000044856370 571103130 /nfs/dbraw/zinc/10/31/30/571103130.db2.gz WPHKZJQKHTZEGG-SFHVURJKSA-N 1 0 368.496 4.532 50 0 FJAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000015679745 571103360 /nfs/dbraw/zinc/10/33/60/571103360.db2.gz HIHRSUVWJFCPRS-UHFFFAOYSA-N 1 0 371.550 4.883 50 0 FJAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c(C)c1 ZINC000044934946 571105353 /nfs/dbraw/zinc/10/53/53/571105353.db2.gz MWKLWPJOVVIWOR-SFHVURJKSA-N 1 0 368.496 4.532 50 0 FJAARO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cc(Cl)nc(Cl)c1 ZINC000070016992 571107810 /nfs/dbraw/zinc/10/78/10/571107810.db2.gz ZSIIOLCRFLSNJD-OAHLLOKOSA-N 1 0 351.277 4.604 50 0 FJAARO Fc1cccc([C@@H]2CCCCC[N@@H+]2Cc2cc(-c3cccnc3)no2)c1 ZINC000243901456 571112597 /nfs/dbraw/zinc/11/25/97/571112597.db2.gz BBQHRJRKZQTZCG-NRFANRHFSA-N 1 0 351.425 4.993 50 0 FJAARO CCc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccc(OC)cc3)cc(=O)oc2c1 ZINC000012810542 571112813 /nfs/dbraw/zinc/11/28/13/571112813.db2.gz RCCSXDKXWUCIDZ-NRFANRHFSA-N 1 0 363.457 4.701 50 0 FJAARO COCc1cc(C[N@H+](Cc2ccc(SC)cc2)C2CC2)ccc1OC ZINC000055042100 571115596 /nfs/dbraw/zinc/11/55/96/571115596.db2.gz BQDOPDWVCQJRBF-UHFFFAOYSA-N 1 0 357.519 4.728 50 0 FJAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)cc1 ZINC000244773908 571116121 /nfs/dbraw/zinc/11/61/21/571116121.db2.gz PIPIQLVLERETLV-HXUWFJFHSA-N 1 0 362.473 4.862 50 0 FJAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)cc1 ZINC000244773907 571116238 /nfs/dbraw/zinc/11/62/38/571116238.db2.gz PIPIQLVLERETLV-FQEVSTJZSA-N 1 0 362.473 4.862 50 0 FJAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc2ccccc2c1 ZINC000006083686 571118321 /nfs/dbraw/zinc/11/83/21/571118321.db2.gz HIHQYZNNNSYXNY-UHFFFAOYSA-N 1 0 350.506 4.758 50 0 FJAARO OCCCCC[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000247760777 571125909 /nfs/dbraw/zinc/12/59/09/571125909.db2.gz HHMFXZSYOGJZRH-UHFFFAOYSA-N 1 0 374.887 4.734 50 0 FJAARO CC[C@H](C)[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000248232642 571128333 /nfs/dbraw/zinc/12/83/33/571128333.db2.gz LGYCSRDPZPYTRB-HNNXBMFYSA-N 1 0 354.885 4.535 50 0 FJAARO CCn1nc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)n1 ZINC000248257782 571128702 /nfs/dbraw/zinc/12/87/02/571128702.db2.gz PHFGKABPTOFARM-DNBYOKIBSA-N 1 0 364.537 4.660 50 0 FJAARO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]C1CCCCCC1)c1ccccc1 ZINC000012859804 571129738 /nfs/dbraw/zinc/12/97/38/571129738.db2.gz IDJAUCHIEKWJPU-QFIPXVFZSA-N 1 0 366.505 4.996 50 0 FJAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000020734808 571143763 /nfs/dbraw/zinc/14/37/63/571143763.db2.gz PIWNHRLQWBDFSI-CVEARBPZSA-N 1 0 357.885 4.545 50 0 FJAARO O=C(NC1CC1)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739900 571147354 /nfs/dbraw/zinc/14/73/54/571147354.db2.gz MCSJNHLWWGWDSR-NQIIRXRSSA-N 1 0 368.908 4.572 50 0 FJAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2C)cc1 ZINC000012945866 571153441 /nfs/dbraw/zinc/15/34/41/571153441.db2.gz JMYKDUWRMRQCPI-NRFANRHFSA-N 1 0 352.478 4.559 50 0 FJAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1cc2cc(Cl)c(Cl)cc2[nH]1 ZINC000075093198 571154517 /nfs/dbraw/zinc/15/45/17/571154517.db2.gz XVFZVEZAOSMSLH-SECBINFHSA-N 1 0 351.281 4.676 50 0 FJAARO COCCn1c(-c2ccccc2)c[nH+]c1NCc1c(F)cccc1Cl ZINC000004679213 571158891 /nfs/dbraw/zinc/15/88/91/571158891.db2.gz ZIKAEJYHSURGMN-UHFFFAOYSA-N 1 0 359.832 4.601 50 0 FJAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=S)Nc2cccc(Cl)c2)C1 ZINC000004688723 571161611 /nfs/dbraw/zinc/16/16/11/571161611.db2.gz UEAXCDRBRBTKKU-HZPDHXFCSA-N 1 0 373.953 4.710 50 0 FJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCC[C@](O)(c1ccccc1)c1ccccn1 ZINC000102196609 571167952 /nfs/dbraw/zinc/16/79/52/571167952.db2.gz DOMLQNJBAMPKKT-VIZSFHNOSA-N 1 0 352.522 4.751 50 0 FJAARO CC[NH+](CC)Cc1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 ZINC000005952430 571169360 /nfs/dbraw/zinc/16/93/60/571169360.db2.gz FIPACKVTXOQANU-UHFFFAOYSA-N 1 0 365.502 4.904 50 0 FJAARO Cc1ccccc1NC(=O)NC[C@H](c1csc2ccccc21)[NH+](C)C ZINC000575619381 571171871 /nfs/dbraw/zinc/17/18/71/571171871.db2.gz DKQCEUMVKLADEX-GOSISDBHSA-N 1 0 353.491 4.634 50 0 FJAARO CC(C)Oc1c(Cl)cc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000072155926 571175031 /nfs/dbraw/zinc/17/50/31/571175031.db2.gz YPETYECMKOFYJK-OAHLLOKOSA-N 1 0 359.341 4.697 50 0 FJAARO C[C@H](c1cccc(-c2ccc(-c3nc(C4CC4)no3)cn2)c1)[NH+]1CCCC1 ZINC000072161382 571175824 /nfs/dbraw/zinc/17/58/24/571175824.db2.gz JKBIPLYZIKMACN-OAHLLOKOSA-N 1 0 360.461 4.833 50 0 FJAARO CC(=O)c1cc(CN2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072163385 571175928 /nfs/dbraw/zinc/17/59/28/571175928.db2.gz DQQRSJMSPKVXOE-HXUWFJFHSA-N 1 0 356.535 4.740 50 0 FJAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000229657451 571178117 /nfs/dbraw/zinc/17/81/17/571178117.db2.gz ZBYJAJDJZJDFFS-MNVSYLFESA-N 1 0 361.482 4.973 50 0 FJAARO CCCc1nc2cc(CCC(=O)Nc3cccc(SC)c3)ccc2[nH]1 ZINC000075465661 571186267 /nfs/dbraw/zinc/18/62/67/571186267.db2.gz MBSMQZRQPVEXRB-UHFFFAOYSA-N 1 0 353.491 4.809 50 0 FJAARO Cc1cc2[nH]c(C(=O)Nc3cc(Cl)ccc3F)c(C[NH+](C)C)c2s1 ZINC000075487943 571190588 /nfs/dbraw/zinc/19/05/88/571190588.db2.gz SJLHZDOGBVTYOR-UHFFFAOYSA-N 1 0 365.861 4.644 50 0 FJAARO O=C(Nc1cccc(-c2cccc(Cl)c2)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000299762334 571193753 /nfs/dbraw/zinc/19/37/53/571193753.db2.gz UHZUQEQHKQKHGL-NRFANRHFSA-N 1 0 369.896 4.614 50 0 FJAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H](C)[C@@]1(O)c1ccccc1 ZINC000239432842 571196086 /nfs/dbraw/zinc/19/60/86/571196086.db2.gz WPGSJVUKSMYCJB-CKCHCSOFSA-N 1 0 357.497 5.232 50 0 FJAARO Cn1cc(C[N@H+](C)CCC(C)(C)O)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072447191 571197059 /nfs/dbraw/zinc/19/70/59/571197059.db2.gz CHNWAZGTOYZDAY-UHFFFAOYSA-N 1 0 369.553 4.728 50 0 FJAARO Cn1cc(C[N@H+](C)CC(C)(C)CO)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072473738 571198542 /nfs/dbraw/zinc/19/85/42/571198542.db2.gz LKYPNNDIDSYZQO-UHFFFAOYSA-N 1 0 369.553 4.585 50 0 FJAARO Cc1ccc(CSc2ccccc2NC(=O)N2CCC[C@@H]([NH3+])CC2)cc1 ZINC000299790474 571200730 /nfs/dbraw/zinc/20/07/30/571200730.db2.gz BTGFXPRFVINTBT-GOSISDBHSA-N 1 0 369.534 4.632 50 0 FJAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(Cl)nc2)cc1 ZINC000299794735 571201839 /nfs/dbraw/zinc/20/18/39/571201839.db2.gz NOAFNGVTMBHPBS-SFHVURJKSA-N 1 0 372.900 4.556 50 0 FJAARO COc1ccc(C[N@@H+](Cc2cccc(C)c2)C[C@@H](O)c2ccccc2)cc1 ZINC000036095313 571205277 /nfs/dbraw/zinc/20/52/77/571205277.db2.gz MNSVVPZZEMTHDF-XMMPIXPASA-N 1 0 361.485 4.739 50 0 FJAARO Cc1cc(-c2cccc(C(=O)NCC[C@@H]3CCC[N@H+]3C)c2)c(Cl)cc1F ZINC000534653104 571207393 /nfs/dbraw/zinc/20/73/93/571207393.db2.gz LXXYMWLSWWCPJV-KRWDZBQOSA-N 1 0 374.887 4.669 50 0 FJAARO Cc1cc(-c2cccc(C(=O)NCC[C@H]3CCC[N@H+]3C)c2)c(Cl)cc1F ZINC000534653105 571207401 /nfs/dbraw/zinc/20/74/01/571207401.db2.gz LXXYMWLSWWCPJV-QGZVFWFLSA-N 1 0 374.887 4.669 50 0 FJAARO O=C(Nc1sc2c(c1C[NH+]1CCCC1)CCCC2)c1ccccc1F ZINC000004748605 571231220 /nfs/dbraw/zinc/23/12/20/571231220.db2.gz DNYQLLVXWMNPKY-UHFFFAOYSA-N 1 0 358.482 4.614 50 0 FJAARO CC[C@@H](C[NH+](C)C)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000426597334 571232837 /nfs/dbraw/zinc/23/28/37/571232837.db2.gz APLIMJAQDSFSBK-HNNXBMFYSA-N 1 0 365.304 4.730 50 0 FJAARO Clc1cccc(CN2CCN(C/C=C\c3ccccc3)CC2)c1Cl ZINC000033339325 571236336 /nfs/dbraw/zinc/23/63/36/571236336.db2.gz SEOSVDFYKDQSQO-YVMONPNESA-N 1 0 361.316 4.824 50 0 FJAARO COc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040742793 571238556 /nfs/dbraw/zinc/23/85/56/571238556.db2.gz IBIUNCDVFCPCRD-UHFFFAOYSA-N 1 0 352.261 4.833 50 0 FJAARO COc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1c(F)cccc1Cl ZINC000040742660 571238589 /nfs/dbraw/zinc/23/85/89/571238589.db2.gz FRTZRDZWNHWZSL-UHFFFAOYSA-N 1 0 370.251 4.972 50 0 FJAARO CC[NH2+][C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000006787843 571246520 /nfs/dbraw/zinc/24/65/20/571246520.db2.gz FPVUFPORQBOBEO-OAHLLOKOSA-N 1 0 356.775 4.648 50 0 FJAARO Clc1ccc(OCCOCC[NH2+]Cc2ccccc2)c2ccccc12 ZINC000002822329 571275737 /nfs/dbraw/zinc/27/57/37/571275737.db2.gz GBHJAJNQNRKFEQ-UHFFFAOYSA-N 1 0 355.865 4.678 50 0 FJAARO Cc1ccc(C[NH+]2CCC(N(C(=O)C(C)C)c3ccc(F)cc3)CC2)cc1 ZINC000037559907 571287984 /nfs/dbraw/zinc/28/79/84/571287984.db2.gz ZZQGMZIYWBMUBM-UHFFFAOYSA-N 1 0 368.496 4.788 50 0 FJAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000037560420 571288020 /nfs/dbraw/zinc/28/80/20/571288020.db2.gz QVBYIZDTJZHFKE-UHFFFAOYSA-N 1 0 350.506 4.711 50 0 FJAARO Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000007922118 571294349 /nfs/dbraw/zinc/29/43/49/571294349.db2.gz XLQDKYPDFHBTRJ-HNNXBMFYSA-N 1 0 353.491 4.545 50 0 FJAARO Cc1ccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)cc1Cl ZINC000007922143 571294352 /nfs/dbraw/zinc/29/43/52/571294352.db2.gz MFHMEEMFHMUNSL-ZDUSSCGKSA-N 1 0 373.909 4.890 50 0 FJAARO Cc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000007922122 571294363 /nfs/dbraw/zinc/29/43/63/571294363.db2.gz DDVAKYAXUSHWPN-ZDUSSCGKSA-N 1 0 373.909 4.890 50 0 FJAARO CC[C@H](C)C(=O)OC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822769 571326312 /nfs/dbraw/zinc/32/63/12/571326312.db2.gz GJJKYTBLENQIRA-YSVLISHTSA-N 1 0 357.416 4.678 50 0 FJAARO Cc1ccc2c(CNc3cccc4c3C[N@H+](C(C)C)C4)cc(=O)oc2c1C ZINC000095460350 571330169 /nfs/dbraw/zinc/33/01/69/571330169.db2.gz YASHNRBCZHUEOI-UHFFFAOYSA-N 1 0 362.473 4.746 50 0 FJAARO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000095949234 571332628 /nfs/dbraw/zinc/33/26/28/571332628.db2.gz RNBSEUIBRXSCPW-TZMCWYRMSA-N 1 0 363.807 4.712 50 0 FJAARO Cc1cnn(C2CC[NH+](Cc3nc4ccccc4c(C)c3Cl)CC2)c1 ZINC000095958670 571333002 /nfs/dbraw/zinc/33/30/02/571333002.db2.gz BAKCAUXRWJYOOL-UHFFFAOYSA-N 1 0 354.885 4.539 50 0 FJAARO O[C@@H](c1ccccc1)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000095982423 571333381 /nfs/dbraw/zinc/33/33/81/571333381.db2.gz PNNNOMJFXWNFPR-DEOSSOPVSA-N 1 0 358.485 4.694 50 0 FJAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000021174835 571333476 /nfs/dbraw/zinc/33/34/76/571333476.db2.gz ZKHPXKORSCYIQC-UHFFFAOYSA-N 1 0 371.912 4.682 50 0 FJAARO Cc1ccc(C[N@H+](CCC(C)C)Cc2ccc(C(=O)NC(C)C)o2)s1 ZINC000096280609 571335082 /nfs/dbraw/zinc/33/50/82/571335082.db2.gz WIWJVRCPSPRXSY-UHFFFAOYSA-N 1 0 362.539 4.836 50 0 FJAARO Cc1cc(C)cc(NC(=O)N2CCC(C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000021718148 571335909 /nfs/dbraw/zinc/33/59/09/571335909.db2.gz AMZDFHSRXLWABB-OALUTQOASA-N 1 0 357.542 4.525 50 0 FJAARO CSC1=[NH+]C(C)(C)C[C@@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000002501010 571337588 /nfs/dbraw/zinc/33/75/88/571337588.db2.gz IKQVAWAYEBGDCK-WIYYLYMNSA-N 1 0 368.502 4.602 50 0 FJAARO Cc1cc(NC(=S)N(C(C)C)C2CC[NH+](C(C)C)CC2)ccc1Cl ZINC000002912831 571341619 /nfs/dbraw/zinc/34/16/19/571341619.db2.gz ZUXKOEYSQVPSQD-UHFFFAOYSA-N 1 0 367.990 4.928 50 0 FJAARO c1ccc(COc2ccc(-c3noc(C[NH+]4CCCCCC4)n3)cc2)cc1 ZINC000057427774 571343340 /nfs/dbraw/zinc/34/33/40/571343340.db2.gz PPVZSYSXWTZGGO-UHFFFAOYSA-N 1 0 363.461 4.692 50 0 FJAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccco2)cc1Cl ZINC000003047156 571344068 /nfs/dbraw/zinc/34/40/68/571344068.db2.gz MNHZSCYJYKWEPV-AWEZNQCLSA-N 1 0 365.930 4.563 50 0 FJAARO O[C@H](c1ccccn1)C1CC[NH+](Cc2cccc3c4ccccc4oc32)CC1 ZINC000670447508 571351167 /nfs/dbraw/zinc/35/11/67/571351167.db2.gz KINPOOHBFPDHPX-QHCPKHFHSA-N 1 0 372.468 4.927 50 0 FJAARO OC(c1ccc(Cl)s1)(c1ccc(Cl)s1)[C@H]1C[NH+]2CCC1CC2 ZINC000000920374 219341672 /nfs/dbraw/zinc/34/16/72/219341672.db2.gz ZDHSJVXBNDEQSR-NSHDSACASA-N 1 0 374.358 4.694 50 0 in-vitro FJAARO CCCC[NH2+]Cc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000248256692 222966145 /nfs/dbraw/zinc/96/61/45/222966145.db2.gz UYPBKVJVZMXBDI-UHFFFAOYSA-N 1 0 372.875 4.676 50 0 FJAARO COc1ccc(C[NH2+]CC[C@H](c2ccco2)c2ccccc2)cc1OC ZINC000001795595 204019216 /nfs/dbraw/zinc/01/92/16/204019216.db2.gz KLMDJZOUXBMXPS-IBGZPJMESA-N 1 0 351.446 4.609 50 0 FJAARO O=C(c1ccc(Br)cc1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515503 204043006 /nfs/dbraw/zinc/04/30/06/204043006.db2.gz UZBYXOOKMXMTFM-UHFFFAOYSA-N 1 0 358.279 4.666 50 0 FJAARO C[NH+](C)CC[C@@H](OC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 ZINC000002263545 204031515 /nfs/dbraw/zinc/03/15/15/204031515.db2.gz QQQXFWAXWQGHDM-OAQYLSRUSA-N 1 0 351.490 4.735 50 0 FJAARO CCCOc1ccc([C@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000002294684 204032290 /nfs/dbraw/zinc/03/22/90/204032290.db2.gz MAZZASHVOPNVPI-GOTSBHOMSA-N 1 0 353.506 4.779 50 0 FJAARO CCC[C@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002907737 204065623 /nfs/dbraw/zinc/06/56/23/204065623.db2.gz BHPDOOMSPWWFHP-ZEQRLZLVSA-N 1 0 367.533 4.953 50 0 FJAARO CCOc1ccc([C@@](O)(CC)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000002907746 204066267 /nfs/dbraw/zinc/06/62/67/204066267.db2.gz OGZAONAWUUEDKY-ZEQRLZLVSA-N 1 0 367.533 4.953 50 0 FJAARO CC(C)N(C(=S)Nc1ccccc1Cl)C1CC[NH+](C(C)C)CC1 ZINC000002912829 204066779 /nfs/dbraw/zinc/06/67/79/204066779.db2.gz WAKPCWSSPOQRSZ-UHFFFAOYSA-N 1 0 353.963 4.620 50 0 FJAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccco2)c(Cl)c1 ZINC000003047149 204076093 /nfs/dbraw/zinc/07/60/93/204076093.db2.gz KQZLJNODONDCFS-AWEZNQCLSA-N 1 0 365.930 4.563 50 0 FJAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)C3CCCCCC3)CC2)cc1 ZINC000003060951 204076949 /nfs/dbraw/zinc/07/69/49/204076949.db2.gz RTQQYPHSBPKLQQ-UHFFFAOYSA-N 1 0 359.583 4.811 50 0 FJAARO COc1ccccc1C[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000004133530 204123447 /nfs/dbraw/zinc/12/34/47/204123447.db2.gz WRJGVDKLCQBWEF-UHFFFAOYSA-N 1 0 363.457 4.573 50 0 FJAARO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1ccc2ccccc2c1 ZINC000003401591 204097787 /nfs/dbraw/zinc/09/77/87/204097787.db2.gz ZJGZUCOCPYGPMF-HRAATJIYSA-N 1 0 369.892 4.722 50 0 FJAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000003437410 204100965 /nfs/dbraw/zinc/10/09/65/204100965.db2.gz KYJWMEROZYEEGD-NRFANRHFSA-N 1 0 360.457 4.514 50 0 FJAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1cccc(F)c1 ZINC000004678295 204154174 /nfs/dbraw/zinc/15/41/74/204154174.db2.gz BTTWEUPITDMCCA-UHFFFAOYSA-N 1 0 360.230 4.601 50 0 FJAARO CC[NH+](CC)CCN(C(=O)c1cccs1)c1nc2c(cccc2C)s1 ZINC000004359459 204135321 /nfs/dbraw/zinc/13/53/21/204135321.db2.gz YMADNFKFLDVVNR-UHFFFAOYSA-N 1 0 373.547 4.655 50 0 FJAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc2ccccc2c1 ZINC000004380976 204137568 /nfs/dbraw/zinc/13/75/68/204137568.db2.gz HLNGTXVJYKEYLD-GMAHTHKFSA-N 1 0 356.469 4.596 50 0 FJAARO COc1cccc(C[NH2+]Cc2ccncc2)c1OCc1ccc(Cl)cc1 ZINC000004413566 204138707 /nfs/dbraw/zinc/13/87/07/204138707.db2.gz NRCZAPSLCDTARM-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO Cc1cccc(NC(=O)COc2ccccc2C[NH2+][C@H](C)c2ccccc2)c1 ZINC000004853824 204169727 /nfs/dbraw/zinc/16/97/27/204169727.db2.gz CAQVTWMVWQNIIU-LJQANCHMSA-N 1 0 374.484 4.863 50 0 FJAARO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1cccs1 ZINC000004942913 204179327 /nfs/dbraw/zinc/17/93/27/204179327.db2.gz KTLRRCWYTKCZRD-UHFFFAOYSA-N 1 0 353.487 4.934 50 0 FJAARO CN1CCC([NH2+]CC[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000006759098 204266854 /nfs/dbraw/zinc/26/68/54/204266854.db2.gz LRIJTMWZNPBCOZ-OAQYLSRUSA-N 1 0 360.904 4.685 50 0 FJAARO Cc1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c(C)n1CC(C)C ZINC000006788144 204270630 /nfs/dbraw/zinc/27/06/30/204270630.db2.gz FASVFONTYDWUDW-UHFFFAOYSA-N 1 0 353.554 4.515 50 0 FJAARO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006859424 204277634 /nfs/dbraw/zinc/27/76/34/204277634.db2.gz YDVGBLILESFJHW-SJKOYZFVSA-N 1 0 363.288 4.988 50 0 FJAARO C[C@@H]([NH2+]C(C)(C)C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000007978019 204312311 /nfs/dbraw/zinc/31/23/11/204312311.db2.gz IKHLJWYKFSZSKT-CQSZACIVSA-N 1 0 367.518 4.602 50 0 FJAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000008002716 204314213 /nfs/dbraw/zinc/31/42/13/204314213.db2.gz YHHZMJJFUPUTOW-GOSISDBHSA-N 1 0 350.384 4.631 50 0 FJAARO Cc1nc(-c2cccc(NC(=O)C[N@@H+](C)C3CCC(C)CC3)c2)cs1 ZINC000008272820 204324223 /nfs/dbraw/zinc/32/42/23/204324223.db2.gz ISYMFQQSURFSSA-UHFFFAOYSA-N 1 0 357.523 4.568 50 0 FJAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3ccc(Cl)c(F)c3)c2C)cc1 ZINC000012710387 220020174 /nfs/dbraw/zinc/02/01/74/220020174.db2.gz VJYFVQUSOZCRPV-ZDUSSCGKSA-N 1 0 373.859 4.833 50 0 FJAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]Cc2ccsc2)cc1 ZINC000012711325 220020185 /nfs/dbraw/zinc/02/01/85/220020185.db2.gz XBLGIUFRGGSCHB-LJQANCHMSA-N 1 0 367.518 4.746 50 0 FJAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3cc4ccccc4[nH]3)c2C)cc1 ZINC000023478150 204806321 /nfs/dbraw/zinc/80/63/21/204806321.db2.gz IEEHBYXKZGYHIR-HNNXBMFYSA-N 1 0 360.461 4.521 50 0 FJAARO COc1ccc(C[C@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c32)c(Cl)c1OC ZINC000026675191 204854109 /nfs/dbraw/zinc/85/41/09/204854109.db2.gz NJLHHCITDFZZSE-QGZVFWFLSA-N 1 0 370.880 4.576 50 0 in-vitro FJAARO O=C(C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000013000624 220051339 /nfs/dbraw/zinc/05/13/39/220051339.db2.gz IBMYIXDNEZSZNV-DEOSSOPVSA-N 1 0 370.496 4.687 50 0 FJAARO CC(C)CC[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036031912 205001172 /nfs/dbraw/zinc/00/11/72/205001172.db2.gz MTYGVOWCWWPKFH-SFHVURJKSA-N 1 0 367.942 4.690 50 0 FJAARO CC[C@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036098787 205005519 /nfs/dbraw/zinc/00/55/19/205005519.db2.gz IBJNXAISHPAMLM-PXNSSMCTSA-N 1 0 361.913 4.689 50 0 FJAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2)c(OC)c1 ZINC000036347920 205010220 /nfs/dbraw/zinc/01/02/20/205010220.db2.gz UXBJZGLGOORRKO-HSZRJFAPSA-N 1 0 362.473 4.501 50 0 FJAARO COc1ccc(OC)c(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000036347923 205010417 /nfs/dbraw/zinc/01/04/17/205010417.db2.gz ABDYSXXHYZOOAO-QHCPKHFHSA-N 1 0 362.473 4.501 50 0 FJAARO Cc1ccc(NC(=S)NC[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1C ZINC000013524063 220071035 /nfs/dbraw/zinc/07/10/35/220071035.db2.gz YWDVXRJHWGVKPF-MOPGFXCFSA-N 1 0 367.562 4.673 50 0 FJAARO COc1cccc(C[NH2+]Cc2ccncc2)c1OCc1cccc(Cl)c1 ZINC000040722600 205078819 /nfs/dbraw/zinc/07/88/19/205078819.db2.gz PAGGKYAGQDORHV-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO COc1cc(Br)cc(C[NH2+]Cc2ccccc2)c1OC(C)C ZINC000040728440 205078883 /nfs/dbraw/zinc/07/88/83/205078883.db2.gz LFNGAZMEJAZXHZ-UHFFFAOYSA-N 1 0 364.283 4.535 50 0 FJAARO O[C@H](C[NH2+]Cc1ccccc1OCc1cccc(Cl)c1)c1ccccc1 ZINC000040732635 205079437 /nfs/dbraw/zinc/07/94/37/205079437.db2.gz ODNFJVXYCXOBTB-OAQYLSRUSA-N 1 0 367.876 4.742 50 0 FJAARO COCCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722785 205079479 /nfs/dbraw/zinc/07/94/79/205079479.db2.gz NVFVEJLGSBBLOZ-UHFFFAOYSA-N 1 0 354.277 4.699 50 0 FJAARO CC(C)(CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743188 205080457 /nfs/dbraw/zinc/08/04/57/205080457.db2.gz FGAUGFQWMBAYCR-UHFFFAOYSA-N 1 0 372.267 4.572 50 0 FJAARO OCCC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040743775 205080543 /nfs/dbraw/zinc/08/05/43/205080543.db2.gz LMBCVVLGIKWYKU-UHFFFAOYSA-N 1 0 355.865 4.544 50 0 FJAARO CCC(C)(C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770981 205098405 /nfs/dbraw/zinc/09/84/05/205098405.db2.gz KRUSLDAKGZSTGY-AWEZNQCLSA-N 1 0 354.332 4.905 50 0 FJAARO CC(C)(c1ccccc1)c1ccc(OC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042770666 205098629 /nfs/dbraw/zinc/09/86/29/205098629.db2.gz KRCRZTTVEPAOPW-OAHLLOKOSA-N 1 0 374.322 4.763 50 0 FJAARO Cc1cc(-c2ccc(C[NH2+]Cc3ccncc3)o2)ccc1Br ZINC000040721935 205076655 /nfs/dbraw/zinc/07/66/55/205076655.db2.gz XENXNDRIKFYNGT-UHFFFAOYSA-N 1 0 357.251 4.702 50 0 FJAARO OCCCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000040720951 205076858 /nfs/dbraw/zinc/07/68/58/205076858.db2.gz RISMYTRTMMTXGQ-UHFFFAOYSA-N 1 0 369.892 4.934 50 0 FJAARO CCOCCC[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000040738697 205078158 /nfs/dbraw/zinc/07/81/58/205078158.db2.gz BZHBIYLMVDITJG-UHFFFAOYSA-N 1 0 351.849 4.574 50 0 FJAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000040729821 205078179 /nfs/dbraw/zinc/07/81/79/205078179.db2.gz HVANEWAXYMEBHE-UHFFFAOYSA-N 1 0 368.260 4.799 50 0 FJAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c(C)c1 ZINC000044934943 205115679 /nfs/dbraw/zinc/11/56/79/205115679.db2.gz MWKLWPJOVVIWOR-GOSISDBHSA-N 1 0 368.496 4.532 50 0 FJAARO CCOc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)ccc1OC ZINC000013723040 220089872 /nfs/dbraw/zinc/08/98/72/220089872.db2.gz BWWRVULTNSFIQJ-UHFFFAOYSA-N 1 0 354.277 4.733 50 0 FJAARO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)oc2C)c1 ZINC000048299924 205156947 /nfs/dbraw/zinc/15/69/47/205156947.db2.gz YRGKLFZIGNXQRF-HXUWFJFHSA-N 1 0 362.473 4.866 50 0 FJAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000044934883 211808108 /nfs/dbraw/zinc/80/81/08/211808108.db2.gz FYXSMMFCPCWSHA-FQEVSTJZSA-N 1 0 364.533 4.701 50 0 FJAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1cc(C(F)(F)F)cc(C)n1 ZINC000067803711 205391741 /nfs/dbraw/zinc/39/17/41/205391741.db2.gz FEEGPKBAGUQKNH-UHFFFAOYSA-N 1 0 366.383 4.806 50 0 FJAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1OCC ZINC000015836976 220168314 /nfs/dbraw/zinc/16/83/14/220168314.db2.gz FYCIUZHZIHZQHI-HXUWFJFHSA-N 1 0 355.478 4.830 50 0 FJAARO CCOc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccccc1C ZINC000040736816 211756544 /nfs/dbraw/zinc/75/65/44/211756544.db2.gz GCGPOIXGHVUMMC-UHFFFAOYSA-N 1 0 371.521 4.877 50 0 FJAARO CCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OCC)c1 ZINC000040737122 205668856 /nfs/dbraw/zinc/66/88/56/205668856.db2.gz XFAAHYIDNSWQDP-UHFFFAOYSA-N 1 0 351.849 4.956 50 0 FJAARO CC[NH+](CC)Cc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 ZINC000091695391 205687892 /nfs/dbraw/zinc/68/78/92/205687892.db2.gz LJPUIUHVADHSOT-UHFFFAOYSA-N 1 0 351.416 4.675 50 0 FJAARO CC(C)(C)C(=O)N1CCC([NH2+]CC2(c3cccc(F)c3)CCCCC2)CC1 ZINC000095402996 205753847 /nfs/dbraw/zinc/75/38/47/205753847.db2.gz KAQPMCFAAHNYON-UHFFFAOYSA-N 1 0 374.544 4.654 50 0 FJAARO Clc1ccccc1-c1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)o1 ZINC000113399047 206089408 /nfs/dbraw/zinc/08/94/08/206089408.db2.gz PLBLJUXTHPVCQE-UHFFFAOYSA-N 1 0 351.837 4.809 50 0 FJAARO Cc1ccc(COc2ccccc2C[NH2+]CCCOc2ccccn2)cc1 ZINC000113396944 206089545 /nfs/dbraw/zinc/08/95/45/206089545.db2.gz RNBZVXTUWXNGEA-UHFFFAOYSA-N 1 0 362.473 4.528 50 0 FJAARO CC1(C)C[C@H](C[NH2+]CC[C@]2(c3ccccc3)CCOC(C)(C)C2)CCO1 ZINC000001817167 206152940 /nfs/dbraw/zinc/15/29/40/206152940.db2.gz VFBQBALYJXPYLA-XXBNENTESA-N 1 0 359.554 4.698 50 0 FJAARO Cc1ccc2c(C[NH+]3CCC(Cc4ccccc4)CC3)cc(=O)oc2c1C ZINC000002402626 206153771 /nfs/dbraw/zinc/15/37/71/206153771.db2.gz FBMUARULLHYGJC-UHFFFAOYSA-N 1 0 361.485 4.865 50 0 FJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOCCOc2cccc(Oc3ccccc3)c2)C1 ZINC000004914590 206184994 /nfs/dbraw/zinc/18/49/94/206184994.db2.gz AKMNCHYPLKUWEV-BGYRXZFFSA-N 1 0 369.505 4.852 50 0 FJAARO CC1CC[NH+]([C@H](CNc2ncnc3sccc32)c2cccs2)CC1 ZINC000008727558 206217494 /nfs/dbraw/zinc/21/74/94/206217494.db2.gz QSKKXLXLQGYOGQ-OAHLLOKOSA-N 1 0 358.536 4.638 50 0 FJAARO O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3s1)N2 ZINC000104133899 206236382 /nfs/dbraw/zinc/23/63/82/206236382.db2.gz JZMUVZCKJLJSDO-UHFFFAOYSA-N 1 0 352.463 4.828 50 0 FJAARO O=C(C[NH2+][C@H](Cc1ccccc1)c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000013000626 206299744 /nfs/dbraw/zinc/29/97/44/206299744.db2.gz IBMYIXDNEZSZNV-XMMPIXPASA-N 1 0 370.496 4.687 50 0 FJAARO C[NH+](C)C[C@@H]1CCCC[C@@H]1[C@]1(O)c2ccsc2SCc2ccccc21 ZINC000013111041 206301670 /nfs/dbraw/zinc/30/16/70/206301670.db2.gz YKADOOIFTVIBPM-HZUJVAHNSA-N 1 0 373.587 4.958 50 0 FJAARO Fc1ccccc1OC[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000215020659 206343580 /nfs/dbraw/zinc/34/35/80/206343580.db2.gz BNIATXQAOOWUQZ-HNNXBMFYSA-N 1 0 365.395 4.718 50 0 FJAARO CCOc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)o2)cc1 ZINC000216194592 206356158 /nfs/dbraw/zinc/35/61/58/206356158.db2.gz OKWWYQAERVTQFR-SFHVURJKSA-N 1 0 363.461 4.515 50 0 FJAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000216158998 206356889 /nfs/dbraw/zinc/35/68/89/206356889.db2.gz BQSUVBAZBHPBCT-QGZVFWFLSA-N 1 0 367.880 4.524 50 0 FJAARO FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000022852729 206394090 /nfs/dbraw/zinc/39/40/90/206394090.db2.gz JZGZHZKUFRWCFH-HNNXBMFYSA-N 1 0 359.395 4.961 50 0 FJAARO Cc1ccc(-c2ccsc2C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000032800826 206512716 /nfs/dbraw/zinc/51/27/16/206512716.db2.gz CFLGZKLZCPSPFH-GOSISDBHSA-N 1 0 370.543 4.818 50 0 FJAARO Cc1c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)oc2cc(C)cc(C)c12 ZINC000028289680 211485810 /nfs/dbraw/zinc/48/58/10/211485810.db2.gz CSMGDRKQTQXLKW-IBGZPJMESA-N 1 0 364.489 4.699 50 0 FJAARO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000022936800 211370368 /nfs/dbraw/zinc/37/03/68/211370368.db2.gz MWBWEQMWMDFAOP-OAQYLSRUSA-N 1 0 372.940 4.801 50 0 FJAARO Fc1ccccc1-c1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)o1 ZINC000022935288 211369952 /nfs/dbraw/zinc/36/99/52/211369952.db2.gz VGCUQQDPHMDYCV-IBGZPJMESA-N 1 0 354.425 4.605 50 0 FJAARO COc1ccc(C[N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000022240767 211345237 /nfs/dbraw/zinc/34/52/37/211345237.db2.gz QBAMKUXSDYUDNN-UHFFFAOYSA-N 1 0 357.457 4.642 50 0 FJAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000022630543 211358281 /nfs/dbraw/zinc/35/82/81/211358281.db2.gz JLTVPNJABRETSB-OAHLLOKOSA-N 1 0 372.534 4.548 50 0 FJAARO CCc1ccccc1NC(=O)NCC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000021174944 211309602 /nfs/dbraw/zinc/30/96/02/211309602.db2.gz SHIKWAYEQKKJGL-UHFFFAOYSA-N 1 0 365.521 4.591 50 0 FJAARO CCCCC[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000020927227 211301973 /nfs/dbraw/zinc/30/19/73/211301973.db2.gz KKSFXMATUNDEES-UHFFFAOYSA-N 1 0 365.109 4.500 50 0 FJAARO CCCCC[C@](O)(c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440607 211278960 /nfs/dbraw/zinc/27/89/60/211278960.db2.gz KABHBZDXXJZWEM-RPWUZVMVSA-N 1 0 367.533 4.571 50 0 FJAARO CCOc1ccc2c(c1)[N+](C)=C(/C=C/c1ccc(C(=O)OC)cc1)C2(C)C ZINC000020070285 211265206 /nfs/dbraw/zinc/26/52/06/211265206.db2.gz DTPANYLCUNHFSF-NTEUORMPSA-N 1 0 364.465 4.591 50 0 FJAARO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)c1ccc2c(c1)OCCO2 ZINC000017311872 211184868 /nfs/dbraw/zinc/18/48/68/211184868.db2.gz XUXQEGUKDVJINY-CQSZACIVSA-N 1 0 353.393 4.708 50 0 FJAARO CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862307 211147086 /nfs/dbraw/zinc/14/70/86/211147086.db2.gz UVABPLVMKHOCSM-UHFFFAOYSA-N 1 0 354.881 4.902 50 0 FJAARO CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000015862292 211146655 /nfs/dbraw/zinc/14/66/55/211146655.db2.gz PTGHRGXPWICXQJ-UHFFFAOYSA-N 1 0 358.844 4.733 50 0 FJAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3ccc(SC)cc3)c2C)cc1 ZINC000015068471 211117327 /nfs/dbraw/zinc/11/73/27/211117327.db2.gz VSGKVWWOJDQQHQ-HNNXBMFYSA-N 1 0 367.518 4.762 50 0 FJAARO Cc1ccsc1C[NH+]1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000014986768 211111135 /nfs/dbraw/zinc/11/11/35/211111135.db2.gz KTEKYDLWGKZFSU-UHFFFAOYSA-N 1 0 355.482 4.965 50 0 FJAARO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](C2CCCCC2)C3)cc1 ZINC000014950563 211107231 /nfs/dbraw/zinc/10/72/31/211107231.db2.gz NAZNGOXBWMWCDU-UHFFFAOYSA-N 1 0 367.489 4.898 50 0 FJAARO OCCCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013726836 211054460 /nfs/dbraw/zinc/05/44/60/211054460.db2.gz UYHCVBXVFYXSCX-UHFFFAOYSA-N 1 0 368.304 4.825 50 0 FJAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCCCCO)cc1 ZINC000013727237 211053353 /nfs/dbraw/zinc/05/33/53/211053353.db2.gz KYQHLNRORIYZKZ-UHFFFAOYSA-N 1 0 363.501 4.979 50 0 FJAARO COc1ccccc1C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000013720403 211052160 /nfs/dbraw/zinc/05/21/60/211052160.db2.gz AOVWHOUTAXVIKD-UHFFFAOYSA-N 1 0 351.421 4.703 50 0 FJAARO CCOc1c(C[NH2+]CCc2ccc(Cl)cc2)cc(Cl)cc1OC ZINC000013721470 211052223 /nfs/dbraw/zinc/05/22/23/211052223.db2.gz VQEFNWLFVGKCMH-UHFFFAOYSA-N 1 0 354.277 4.733 50 0 FJAARO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(Br)cc1 ZINC000012673062 210981494 /nfs/dbraw/zinc/98/14/94/210981494.db2.gz ZPANNUMIMZUMEQ-ACJLOTCBSA-N 1 0 373.294 4.517 50 0 FJAARO CCCC[NH+](CCCC)CCCNc1ncnc2c3cc(F)ccc3[nH]c21 ZINC000002429592 210398850 /nfs/dbraw/zinc/39/88/50/210398850.db2.gz BXECHAKXRVMEFE-UHFFFAOYSA-N 1 0 371.504 4.954 50 0 FJAARO C[C@H]1CCc2c(C[NH+]3CCCC3)c(NC(=O)c3ccccc3)sc2C1 ZINC000000944645 210293485 /nfs/dbraw/zinc/29/34/85/210293485.db2.gz AFCYYXJVKMRVHD-HNNXBMFYSA-N 1 0 354.519 4.721 50 0 FJAARO CC[NH+](CC)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000786497 210271471 /nfs/dbraw/zinc/27/14/71/210271471.db2.gz DKJKCAUMSQTYMP-HNNXBMFYSA-N 1 0 365.304 4.804 50 0 FJAARO C[C@@H]([NH2+]CC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000049580909 221026193 /nfs/dbraw/zinc/02/61/93/221026193.db2.gz OMIGOPTULKAUBH-HXUWFJFHSA-N 1 0 372.512 4.676 50 0 FJAARO CC(C)c1cc(C[N@@H+]2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)on1 ZINC000065527438 221230636 /nfs/dbraw/zinc/23/06/36/221230636.db2.gz WBYNRZBJVMMNSP-SFHVURJKSA-N 1 0 363.461 4.555 50 0 FJAARO OCC1(Cc2ccccc2)CC[NH+](Cc2cccc(-c3ccco3)c2)CC1 ZINC000067804637 221286943 /nfs/dbraw/zinc/28/69/43/221286943.db2.gz IGGJWVKJIASAIE-UHFFFAOYSA-N 1 0 361.485 4.764 50 0 FJAARO Fc1ccc(CN2CCC([NH2+]Cc3cccc4ccccc43)CC2)cc1F ZINC000071810447 221378545 /nfs/dbraw/zinc/37/85/45/221378545.db2.gz LNLDVPLVDWOZSF-UHFFFAOYSA-N 1 0 366.455 4.872 50 0 FJAARO FC(F)(F)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055543066 136126771 /nfs/dbraw/zinc/12/67/71/136126771.db2.gz UWECIRIBUCIGLT-UHFFFAOYSA-N 1 0 354.803 4.681 50 0 FJAARO Fc1ccc(N2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000055543878 136127061 /nfs/dbraw/zinc/12/70/61/136127061.db2.gz APMXHOBRIVQAJR-UHFFFAOYSA-N 1 0 362.448 4.940 50 0 FJAARO O=C(c1ccccc1)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095369156 221871220 /nfs/dbraw/zinc/87/12/20/221871220.db2.gz FJJQSNWFKXWHKR-QFIPXVFZSA-N 1 0 374.528 4.561 50 0 FJAARO COc1ccc(C(=O)C2CC[NH+](CCSc3ccccc3F)CC2)cc1 ZINC000097024799 222151796 /nfs/dbraw/zinc/15/17/96/222151796.db2.gz NJMGBMYRNFSMQV-UHFFFAOYSA-N 1 0 373.493 4.521 50 0 FJAARO Cc1cccc(COc2ccc(C[NH2+]CCc3nc4ccccc4[nH]3)cc2)c1 ZINC000113398728 222494637 /nfs/dbraw/zinc/49/46/37/222494637.db2.gz GNBMFVOFJKDHBF-UHFFFAOYSA-N 1 0 371.484 4.783 50 0 FJAARO CCOCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000020875911 519897785 /nfs/dbraw/zinc/89/77/85/519897785.db2.gz ALHPZGXYRQRUHQ-UHFFFAOYSA-N 1 0 352.272 4.534 50 0 FJAARO CCCCCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]1CC ZINC000239347278 520136336 /nfs/dbraw/zinc/13/63/36/520136336.db2.gz MPYSXPHSCSBUPX-NGSHPTGOSA-N 1 0 365.561 6.190 50 0 FJAARO CCCOc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1Br ZINC000020926001 520368409 /nfs/dbraw/zinc/36/84/09/520368409.db2.gz SJDIEQVLZKAFMS-UHFFFAOYSA-N 1 0 352.247 4.667 50 0 FJAARO CCCOc1ccc(C[NH2+]Cc2ccccc2OC)cc1Br ZINC000020926134 520368792 /nfs/dbraw/zinc/36/87/92/520368792.db2.gz XVDAPHLTDVABNZ-UHFFFAOYSA-N 1 0 364.283 4.536 50 0 FJAARO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000299799385 521045963 /nfs/dbraw/zinc/04/59/63/521045963.db2.gz RXKLROAZAFYEBC-UHFFFAOYSA-N 1 0 374.916 4.618 50 0 FJAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000019796845 521639937 /nfs/dbraw/zinc/63/99/37/521639937.db2.gz SYNLLDGNRQTWFC-CQSZACIVSA-N 1 0 353.293 4.827 50 0 FJAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3ccccc3C)CC2)c1 ZINC000020889779 524100738 /nfs/dbraw/zinc/10/07/38/524100738.db2.gz DEWFZYHGKQDNNO-UHFFFAOYSA-N 1 0 365.521 4.646 50 0 FJAARO Cc1ccc(COc2ccccc2C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000020873623 524631083 /nfs/dbraw/zinc/63/10/83/524631083.db2.gz GRNVSKFKNZWELJ-UHFFFAOYSA-N 1 0 361.441 4.593 50 0 FJAARO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21)c1cccc2ccccc21 ZINC000245237485 524947006 /nfs/dbraw/zinc/94/70/06/524947006.db2.gz KTLOUFPCYIBSBC-SBUREZEXSA-N 1 0 358.485 4.636 50 0 FJAARO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(C)O ZINC000239284810 525711073 /nfs/dbraw/zinc/71/10/73/525711073.db2.gz CBNTXTSZXBMDJP-VHIUKIOLSA-N 1 0 364.316 5.402 50 0 FJAARO C[C@@H]1[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(C)O ZINC000239284809 525712250 /nfs/dbraw/zinc/71/22/50/525712250.db2.gz CBNTXTSZXBMDJP-LOAVNOHISA-N 1 0 364.316 5.402 50 0 FJAARO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2coc(-c3cccs3)n2)c1 ZINC000048290924 526081175 /nfs/dbraw/zinc/08/11/75/526081175.db2.gz BILMVKJJVDYTNW-QGZVFWFLSA-N 1 0 354.475 4.619 50 0 FJAARO Fc1ccc(CN2CCC([NH2+]Cc3ccc4ccccc4c3)CC2)cc1F ZINC000084605864 526331783 /nfs/dbraw/zinc/33/17/83/526331783.db2.gz UKNYEPIQGAEZAX-UHFFFAOYSA-N 1 0 366.455 4.872 50 0 FJAARO Fc1cccc(-c2ccc(N3CCC([NH2+]Cc4nccs4)CC3)cc2)c1 ZINC000020782728 526380336 /nfs/dbraw/zinc/38/03/36/526380336.db2.gz IDLYUPONXLIDNI-UHFFFAOYSA-N 1 0 367.493 4.708 50 0 FJAARO O=C(C[C@H]1[NH2+]CCc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 ZINC000020389334 527181429 /nfs/dbraw/zinc/18/14/29/527181429.db2.gz PGQAPBDURPHHDJ-JOCHJYFZSA-N 1 0 358.441 4.695 50 0 FJAARO FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H](c3nccn3CC3CC3)C2)cc1 ZINC000082125878 527681358 /nfs/dbraw/zinc/68/13/58/527681358.db2.gz VVYFYMXJMNSKDH-QGZVFWFLSA-N 1 0 363.427 4.692 50 0 FJAARO FC(F)(F)c1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000239274878 527681765 /nfs/dbraw/zinc/68/17/65/527681765.db2.gz AVAXCWYVNPJHNB-PMACEKPBSA-N 1 0 366.471 4.934 50 0 FJAARO COc1cccc([C@H]2CCN2Cc2ccc(C[NH+]3CCCCC3)s2)c1 ZINC000216332189 568118397 /nfs/dbraw/zinc/11/83/97/568118397.db2.gz LJUWHYAGVORMDE-OAQYLSRUSA-N 1 0 356.535 4.690 50 0 FJAARO O[C@H](c1ccc(Br)cc1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000000819929 568298910 /nfs/dbraw/zinc/29/89/10/568298910.db2.gz NQEUTDJMHPUYIZ-RBUKOAKNSA-N 1 0 360.295 4.710 50 0 FJAARO CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033268852 568477012 /nfs/dbraw/zinc/47/70/12/568477012.db2.gz IRKXTZVOTUTZRV-UHFFFAOYSA-N 1 0 369.534 4.600 50 0 FJAARO COC(=O)c1ccc([C@@H]2Oc3ccccc3CN2C2CCCCC2)cc1 ZINC000057312727 568485687 /nfs/dbraw/zinc/48/56/87/568485687.db2.gz BRNIAKGFYBLQRL-NRFANRHFSA-N 1 0 351.446 4.699 50 0 FJAARO Brc1ccc(-c2cn3c([n+]2-c2ccccc2)CCCCC3)cc1 ZINC000000623187 570438708 /nfs/dbraw/zinc/43/87/08/570438708.db2.gz MAKPUHQSXDGVNN-UHFFFAOYSA-N 1 0 368.298 4.921 50 0 FJAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N(Cc1ccsc1)C1CCCC1 ZINC000095390415 570460742 /nfs/dbraw/zinc/46/07/42/570460742.db2.gz JMHYOMMMEYIYNQ-GOSISDBHSA-N 1 0 372.534 4.525 50 0 FJAARO Cc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)cc1 ZINC000001302607 570497111 /nfs/dbraw/zinc/49/71/11/570497111.db2.gz ZKAXNKFSYZDFGG-UHFFFAOYSA-N 1 0 358.489 4.750 50 0 FJAARO CC(C)C[NH+]1CCC(N(C(=O)c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000034682556 570531804 /nfs/dbraw/zinc/53/18/04/570531804.db2.gz FMHGYQBZOLZMFJ-UHFFFAOYSA-N 1 0 372.459 4.732 50 0 FJAARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000034683549 570532095 /nfs/dbraw/zinc/53/20/95/570532095.db2.gz VYUPIJQTDIPAEU-UHFFFAOYSA-N 1 0 368.496 4.850 50 0 FJAARO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000034683316 570532145 /nfs/dbraw/zinc/53/21/45/570532145.db2.gz WTFKFDOIWJJCCY-UHFFFAOYSA-N 1 0 374.484 4.899 50 0 FJAARO FC(F)(F)Sc1ccccc1CNCc1ccc(Br)o1 ZINC000725270521 570542313 /nfs/dbraw/zinc/54/23/13/570542313.db2.gz LNUFPWBWGSQZGQ-UHFFFAOYSA-N 1 0 366.202 4.944 50 0 FJAARO CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)[NH+]1CCCC1 ZINC000003812918 570567955 /nfs/dbraw/zinc/56/79/55/570567955.db2.gz UIEATEWHFDRYRU-XMMPIXPASA-N 1 0 366.549 4.830 50 0 world FJAARO CC(C)(C)c1cc(SC[C@H]2C[NH+]=C(N)S2)cc(C(C)(C)C)c1O ZINC000035327634 570577135 /nfs/dbraw/zinc/57/71/35/570577135.db2.gz ALTFRXAGTGJIFC-GFCCVEGCSA-N 1 0 352.569 4.509 50 0 FJAARO C[NH+](C)C[C@H]1CCCC[C@@H]1[C@]1(O)c2ccccc2CSc2ccccc21 ZINC000004128334 570577759 /nfs/dbraw/zinc/57/77/59/570577759.db2.gz DYOKEZUEHYQWMK-FHJLPGHOSA-N 1 0 367.558 4.896 50 0 FJAARO COc1ccc(C[NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)cc1 ZINC000004942914 570614459 /nfs/dbraw/zinc/61/44/59/570614459.db2.gz SDCKLLWERVCUJB-UHFFFAOYSA-N 1 0 369.486 4.634 50 0 FJAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc(-c3cccc4[nH]ccc43)c2)C1 ZINC000426573340 570616461 /nfs/dbraw/zinc/61/64/61/570616461.db2.gz XNPWYUNDMVUINS-KRWDZBQOSA-N 1 0 373.500 4.534 50 0 FJAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccc(F)cc1 ZINC000005019720 570618318 /nfs/dbraw/zinc/61/83/18/570618318.db2.gz MHUXEFIIKSIFJN-UHFFFAOYSA-N 1 0 357.450 4.765 50 0 FJAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000007261644 570662084 /nfs/dbraw/zinc/66/20/84/570662084.db2.gz WRANLEOCVQUQFL-UHFFFAOYSA-N 1 0 351.849 4.956 50 0 FJAARO Fc1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)cc1Cl ZINC000007539787 570665730 /nfs/dbraw/zinc/66/57/30/570665730.db2.gz ARYLNOSWNGQXRI-UHFFFAOYSA-N 1 0 359.784 4.758 50 0 FJAARO CCOc1ccc(Br)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000008324482 570680409 /nfs/dbraw/zinc/68/04/09/570680409.db2.gz CEYHLILBZOEDFA-UHFFFAOYSA-N 1 0 364.327 4.906 50 0 FJAARO COc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c(OC)c1OC ZINC000008534521 570682960 /nfs/dbraw/zinc/68/29/60/570682960.db2.gz HKSKVYJXYRDGHS-UBWJNLJSSA-N 1 0 359.510 4.551 50 0 FJAARO CCN(CC)c1ccc2[nH]c(C)c(C[N@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008717380 570685751 /nfs/dbraw/zinc/68/57/51/570685751.db2.gz UCQKIGDEXNPYEK-UHFFFAOYSA-N 1 0 355.526 4.860 50 0 FJAARO CC[N@@H+](Cc1ccc(C)o1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011719327 570706402 /nfs/dbraw/zinc/70/64/02/570706402.db2.gz HVUNNAAGILCBDO-HXUWFJFHSA-N 1 0 358.501 4.504 50 0 FJAARO O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000011822097 570708889 /nfs/dbraw/zinc/70/88/89/570708889.db2.gz UQUDEUNKROZSIO-HXUWFJFHSA-N 1 0 372.468 4.969 50 0 FJAARO COc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000011912191 570711321 /nfs/dbraw/zinc/71/13/21/570711321.db2.gz AWEPPBSSRJCQGI-SFHVURJKSA-N 1 0 365.452 4.604 50 0 FJAARO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000012242620 570730877 /nfs/dbraw/zinc/73/08/77/570730877.db2.gz ZPNSOHUNLGXFFF-JKSUJKDBSA-N 1 0 357.448 4.891 50 0 FJAARO COc1cccc([C@@H](C)[N@H+](C)Cc2cn(C)nc2-c2cccc(Cl)c2)c1 ZINC000012297827 570732780 /nfs/dbraw/zinc/73/27/80/570732780.db2.gz HFDACSASWWRGKT-OAHLLOKOSA-N 1 0 369.896 4.942 50 0 FJAARO Cn1cc(C[NH2+]Cc2cccnc2Oc2ccccc2)c(-c2ccccc2)n1 ZINC000012305401 570734813 /nfs/dbraw/zinc/73/48/13/570734813.db2.gz DPQUSYLSIRDAFY-UHFFFAOYSA-N 1 0 370.456 4.564 50 0 FJAARO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c1 ZINC000012385807 570741296 /nfs/dbraw/zinc/74/12/96/570741296.db2.gz IMLIHJJZHIJFOA-GOSISDBHSA-N 1 0 355.503 4.512 50 0 FJAARO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c1 ZINC000012385808 570741391 /nfs/dbraw/zinc/74/13/91/570741391.db2.gz IMLIHJJZHIJFOA-SFHVURJKSA-N 1 0 355.503 4.512 50 0 FJAARO Fc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)cc1 ZINC000012431298 570744068 /nfs/dbraw/zinc/74/40/68/570744068.db2.gz FIYVOBYGADRCGZ-QGZVFWFLSA-N 1 0 350.384 4.504 50 0 FJAARO Fc1ccc(C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 ZINC000017252819 570747614 /nfs/dbraw/zinc/74/76/14/570747614.db2.gz KEGAZDCJYGMODU-UHFFFAOYSA-N 1 0 362.255 4.883 50 0 FJAARO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000012467680 570748274 /nfs/dbraw/zinc/74/82/74/570748274.db2.gz WDSCCIPHNPNLQA-INIZCTEOSA-N 1 0 364.514 4.985 50 0 FJAARO C[C@@H]1CCC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)[C@@H]1C ZINC000017311118 570748952 /nfs/dbraw/zinc/74/89/52/570748952.db2.gz BQDRHTAKHRGNGD-PWHSHALESA-N 1 0 374.532 4.908 50 0 FJAARO C[C@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)c1ccc2c(c1)OCCO2 ZINC000017311874 570749230 /nfs/dbraw/zinc/74/92/30/570749230.db2.gz XUXQEGUKDVJINY-AWEZNQCLSA-N 1 0 353.393 4.708 50 0 FJAARO CCOc1ccc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 ZINC000012575462 570751519 /nfs/dbraw/zinc/75/15/19/570751519.db2.gz VRCVATNTWXYAJU-OAHLLOKOSA-N 1 0 353.441 4.569 50 0 FJAARO Brc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1 ZINC000012582644 570751527 /nfs/dbraw/zinc/75/15/27/570751527.db2.gz POFIQFNBZDFTRL-UHFFFAOYSA-N 1 0 372.311 4.690 50 0 FJAARO CSc1ccccc1NC(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012585847 570751895 /nfs/dbraw/zinc/75/18/95/570751895.db2.gz AHHMNXZXPKAOPN-INIZCTEOSA-N 1 0 361.555 4.717 50 0 FJAARO Cc1c2ccccc2[nH]c1C[N@@H+](C)Cc1cn(C)nc1-c1ccccc1F ZINC000012750438 570759452 /nfs/dbraw/zinc/75/94/52/570759452.db2.gz VNYLGEAYZFFEEM-UHFFFAOYSA-N 1 0 362.452 4.648 50 0 FJAARO Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000012798959 570763536 /nfs/dbraw/zinc/76/35/36/570763536.db2.gz UXXUNPJBSZFEDP-UHFFFAOYSA-N 1 0 369.852 4.617 50 0 FJAARO COc1cc(C[NH2+]CC(C)C)cc(Br)c1OC1CCCC1 ZINC000005078324 570775541 /nfs/dbraw/zinc/77/55/41/570775541.db2.gz MDSZVKQTJAQFFG-UHFFFAOYSA-N 1 0 356.304 4.525 50 0 FJAARO Cc1ccc(N2[C@H]3CCCCC[N@@H+]3C[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000013301690 570776453 /nfs/dbraw/zinc/77/64/53/570776453.db2.gz QKBJYJLZSLIWFC-LEWJYISDSA-N 1 0 356.897 4.516 50 0 FJAARO COc1ccc(-c2ccc(C[NH2+]CCc3ccccc3OC)o2)cc1Cl ZINC000013719185 570786448 /nfs/dbraw/zinc/78/64/48/570786448.db2.gz POEPLZAYHGMAOC-UHFFFAOYSA-N 1 0 371.864 4.950 50 0 FJAARO COc1ccccc1CC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000013718709 570786486 /nfs/dbraw/zinc/78/64/86/570786486.db2.gz VQWUOKFFCTXHLX-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO COCCC[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc21 ZINC000013722657 570786736 /nfs/dbraw/zinc/78/67/36/570786736.db2.gz RBHYXWIDLZFBEI-UHFFFAOYSA-N 1 0 356.897 4.778 50 0 FJAARO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000013776111 570791017 /nfs/dbraw/zinc/79/10/17/570791017.db2.gz UVOCKBWJADXADZ-DNVJHFABSA-N 1 0 369.480 4.703 50 0 FJAARO C/C(=C/c1ccccc1)[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C(C)C)C3 ZINC000004554081 570833637 /nfs/dbraw/zinc/83/36/37/570833637.db2.gz MCTAXHIAVFVFTN-RNUYOQPASA-N 1 0 367.518 4.674 50 0 FJAARO COc1ccc(C[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C2CC2)cc1 ZINC000015486014 570839161 /nfs/dbraw/zinc/83/91/61/570839161.db2.gz XQDKGNQARZXMHH-UHFFFAOYSA-N 1 0 363.457 4.583 50 0 FJAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1cccc(C)c1 ZINC000016349347 570854840 /nfs/dbraw/zinc/85/48/40/570854840.db2.gz OJPPSTRQHGOVPG-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO Fc1ccccc1CC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000016449566 570856363 /nfs/dbraw/zinc/85/63/63/570856363.db2.gz URYOGMOTHADJGP-UHFFFAOYSA-N 1 0 353.412 4.876 50 0 FJAARO Fc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000019228116 570883120 /nfs/dbraw/zinc/88/31/20/570883120.db2.gz GCJVVHJCXORYCH-INIZCTEOSA-N 1 0 371.406 4.874 50 0 FJAARO CN1CCc2c(c3cc(C(F)(F)F)ccc3n2CCc2ccccc2)C1 ZINC000045336275 570907556 /nfs/dbraw/zinc/90/75/56/570907556.db2.gz VGJCKVYMMJXTIH-UHFFFAOYSA-N 1 0 358.407 4.891 50 0 FJAARO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000020601120 570920192 /nfs/dbraw/zinc/92/01/92/570920192.db2.gz WCGFICLTTXWXRE-AWEZNQCLSA-N 1 0 359.445 4.796 50 0 FJAARO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)ccc1OC(C)C ZINC000021719945 570933346 /nfs/dbraw/zinc/93/33/46/570933346.db2.gz KSPHCDDVGJOSBO-GOSISDBHSA-N 1 0 358.482 4.814 50 0 FJAARO CC1(C)CC(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CC(C)(C)[NH2+]1 ZINC000010812936 570938240 /nfs/dbraw/zinc/93/82/40/570938240.db2.gz AIERJXMPGLCPOD-UHFFFAOYSA-N 1 0 368.546 4.553 50 0 FJAARO CN(C)CC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022075218 570939138 /nfs/dbraw/zinc/93/91/38/570939138.db2.gz KZUPANKDOJATNL-UHFFFAOYSA-N 1 0 368.908 4.723 50 0 FJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@H]1c1cccs1 ZINC000022131856 570940411 /nfs/dbraw/zinc/94/04/11/570940411.db2.gz ADEYNBKTCPUXNV-LJQANCHMSA-N 1 0 354.519 4.711 50 0 FJAARO COc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000024715986 570980518 /nfs/dbraw/zinc/98/05/18/570980518.db2.gz ZANBINYQLPJHJL-IFXJQAMLSA-N 1 0 358.869 4.513 50 0 FJAARO c1csc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)c1 ZINC000024761245 570981797 /nfs/dbraw/zinc/98/17/97/570981797.db2.gz BDHGSYGLISVDGL-UHFFFAOYSA-N 1 0 351.500 4.952 50 0 FJAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC=CCC1 ZINC000026402720 571005785 /nfs/dbraw/zinc/00/57/85/571005785.db2.gz OCMNFBILGUWEJN-QFIPXVFZSA-N 1 0 374.528 4.922 50 0 FJAARO O[C@H](C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccc(Cl)cc1 ZINC000040050453 571013767 /nfs/dbraw/zinc/01/37/67/571013767.db2.gz JVVAIRMZLDCYIU-LJQANCHMSA-N 1 0 373.880 4.547 50 0 FJAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(F)c(F)cc1Cl ZINC000040089046 571016342 /nfs/dbraw/zinc/01/63/42/571016342.db2.gz HWWLUFNIBOVZLK-UHFFFAOYSA-N 1 0 364.823 4.856 50 0 FJAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1ccccc1Cl ZINC000027662581 571017162 /nfs/dbraw/zinc/01/71/62/571017162.db2.gz RUQUGCKFRZBUJA-QGZVFWFLSA-N 1 0 362.926 4.749 50 0 FJAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000028290691 571029945 /nfs/dbraw/zinc/02/99/45/571029945.db2.gz RYOATIQEJYBRJR-SFHVURJKSA-N 1 0 370.880 4.736 50 0 FJAARO CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000028290425 571030032 /nfs/dbraw/zinc/03/00/32/571030032.db2.gz AKCGMGLNUUYDRB-LJQANCHMSA-N 1 0 354.494 4.534 50 0 FJAARO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]C(C)(C)CO)cc1 ZINC000028427495 571032052 /nfs/dbraw/zinc/03/20/52/571032052.db2.gz QPKCKTQMLXTMLB-UHFFFAOYSA-N 1 0 368.304 4.741 50 0 FJAARO Cc1ccc(COc2c(Cl)cc(Cl)cc2CNCC[NH+](C)C)cc1 ZINC000028427690 571032115 /nfs/dbraw/zinc/03/21/15/571032115.db2.gz KNULAQABOYXOFU-UHFFFAOYSA-N 1 0 367.320 4.532 50 0 FJAARO C[N@H+](C[C@H](O)c1ccccc1F)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000028914439 571035623 /nfs/dbraw/zinc/03/56/23/571035623.db2.gz DKCBNRHIQRQBQK-VXKWHMMOSA-N 1 0 353.412 4.720 50 0 FJAARO CC(C)[C@H]([NH2+]CC(=O)N[C@@H](C)c1cc2ccccc2o1)c1cccs1 ZINC000029203204 571037336 /nfs/dbraw/zinc/03/73/36/571037336.db2.gz IBDLUBVPACLUBG-XOBRGWDASA-N 1 0 356.491 4.658 50 0 FJAARO C[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000029483808 571040014 /nfs/dbraw/zinc/04/00/14/571040014.db2.gz ZMMQWUXRVRSBCE-XMMPIXPASA-N 1 0 370.496 4.835 50 0 FJAARO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(Br)cc1 ZINC000012673071 571043492 /nfs/dbraw/zinc/04/34/92/571043492.db2.gz ZPANNUMIMZUMEQ-SCLBCKFNSA-N 1 0 373.294 4.517 50 0 FJAARO C[NH+](C)Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 ZINC000029952357 571044881 /nfs/dbraw/zinc/04/48/81/571044881.db2.gz VBOJFPVVKXLGEO-UHFFFAOYSA-N 1 0 354.450 4.868 50 0 FJAARO COc1cc(C[NH2+][C@H]2CCCc3ccccc32)ccc1OCc1ccncc1 ZINC000030543953 571048178 /nfs/dbraw/zinc/04/81/78/571048178.db2.gz TUJKQPJRUQOJMU-QFIPXVFZSA-N 1 0 374.484 4.836 50 0 FJAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2ccco2)cc1 ZINC000012690406 571048902 /nfs/dbraw/zinc/04/89/02/571048902.db2.gz QPKKWJVMQJSUGB-UHFFFAOYSA-N 1 0 357.457 4.773 50 0 FJAARO COc1ccccc1C[C@H](C)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000225636795 571051370 /nfs/dbraw/zinc/05/13/70/571051370.db2.gz OJCXRZPZFHDHRO-AWEZNQCLSA-N 1 0 356.466 4.679 50 0 FJAARO CCCCc1nc2ccccc2c(NC(=O)C[NH2+]C(C)(C)C)c1CCC ZINC000003077639 571053484 /nfs/dbraw/zinc/05/34/84/571053484.db2.gz DPJQPCHHONUUML-UHFFFAOYSA-N 1 0 355.526 4.857 50 0 FJAARO C[C@@H](C[N@H+](C)Cc1ccccc1)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000032105891 571057057 /nfs/dbraw/zinc/05/70/57/571057057.db2.gz UNNQDXMODLDYNT-OFVILXPXSA-N 1 0 359.513 4.885 50 0 FJAARO C[N@H+](Cc1nnc(-c2ccc(F)cc2)o1)CC12CC3CC(CC(C3)C1)C2 ZINC000040013696 571067899 /nfs/dbraw/zinc/06/78/99/571067899.db2.gz JPEINKUUYJLQMJ-UHFFFAOYSA-N 1 0 355.457 4.524 50 0 FJAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Oc1ccccc1)c1cccs1 ZINC000032970912 571077802 /nfs/dbraw/zinc/07/78/02/571077802.db2.gz XGNYQLIWMGGXIP-SFHVURJKSA-N 1 0 366.486 4.573 50 0 FJAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000035805116 571078485 /nfs/dbraw/zinc/07/84/85/571078485.db2.gz ORWLKMDKIDUEDO-INIZCTEOSA-N 1 0 353.293 4.827 50 0 FJAARO C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000040157333 571088064 /nfs/dbraw/zinc/08/80/64/571088064.db2.gz FLOGTFBNOSSIMO-SFHVURJKSA-N 1 0 358.485 4.795 50 0 FJAARO C[NH+](C)CCCNCc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040719913 571092065 /nfs/dbraw/zinc/09/20/65/571092065.db2.gz ZKSRPOLMLQAPSS-UHFFFAOYSA-N 1 0 367.320 4.614 50 0 FJAARO CC[C@H](C)[NH2+]Cc1cccc(OC)c1OCc1c(F)cccc1Cl ZINC000040722445 571093054 /nfs/dbraw/zinc/09/30/54/571093054.db2.gz VYFXBWGWHKGJFT-ZDUSSCGKSA-N 1 0 351.849 4.955 50 0 FJAARO CC[C@@H](C)[NH2+]Cc1cccc(OC)c1OCc1c(F)cccc1Cl ZINC000040722444 571093164 /nfs/dbraw/zinc/09/31/64/571093164.db2.gz VYFXBWGWHKGJFT-CYBMUJFWSA-N 1 0 351.849 4.955 50 0 FJAARO Cc1ccccc1COc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000040722694 571093262 /nfs/dbraw/zinc/09/32/62/571093262.db2.gz MIHPVRKIRJMSIX-UHFFFAOYSA-N 1 0 361.441 4.593 50 0 FJAARO O[C@@H](C[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1 ZINC000040728173 571093566 /nfs/dbraw/zinc/09/35/66/571093566.db2.gz REBXOWQTUKKERT-QFIPXVFZSA-N 1 0 367.876 4.742 50 0 FJAARO COc1cc(C[NH2+]Cc2cccs2)cc(Br)c1OC(C)C ZINC000040728861 571093603 /nfs/dbraw/zinc/09/36/03/571093603.db2.gz IKZSPIFVQJRBNR-UHFFFAOYSA-N 1 0 370.312 4.596 50 0 FJAARO CCCCOCCC[NH2+]Cc1cc(Br)ccc1OC(C)C ZINC000040730237 571094078 /nfs/dbraw/zinc/09/40/78/571094078.db2.gz BEZHEAOJLXLWMB-UHFFFAOYSA-N 1 0 358.320 4.533 50 0 FJAARO CC(C)(CO)[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736036 571094858 /nfs/dbraw/zinc/09/48/58/571094858.db2.gz FMWKWXOROWKVLU-UHFFFAOYSA-N 1 0 369.892 4.933 50 0 FJAARO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000084656040 571095105 /nfs/dbraw/zinc/09/51/05/571095105.db2.gz CGFWEOJYWXJTOX-YOEHRIQHSA-N 1 0 369.415 4.955 50 0 FJAARO COCCC[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040738501 571095169 /nfs/dbraw/zinc/09/51/69/571095169.db2.gz YNIDABTXRVDUSE-UHFFFAOYSA-N 1 0 354.277 4.699 50 0 FJAARO Clc1cccc(COc2ccc(Cl)cc2C[NH2+]C[C@@H]2CCCO2)c1 ZINC000040743512 571095908 /nfs/dbraw/zinc/09/59/08/571095908.db2.gz TYWFVVYCTMCAIH-SFHVURJKSA-N 1 0 366.288 4.841 50 0 FJAARO C[C@H]1C[C@H](C)C[NH+](CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000084686331 571096203 /nfs/dbraw/zinc/09/62/03/571096203.db2.gz PSDUDXVPEIIHAG-KBPBESRZSA-N 1 0 367.415 4.666 50 0 FJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000084686333 571096262 /nfs/dbraw/zinc/09/62/62/571096262.db2.gz PSDUDXVPEIIHAG-ZIAGYGMSSA-N 1 0 367.415 4.666 50 0 FJAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000044934952 571105292 /nfs/dbraw/zinc/10/52/92/571105292.db2.gz FKEUHHVJLNAPRA-SFHVURJKSA-N 1 0 368.496 4.532 50 0 FJAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1 ZINC000044934148 571105294 /nfs/dbraw/zinc/10/52/94/571105294.db2.gz NJQXBZMZRZQGKZ-OAHLLOKOSA-N 1 0 374.887 4.569 50 0 FJAARO Fc1ccccc1OCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000009482572 571110593 /nfs/dbraw/zinc/11/05/93/571110593.db2.gz DPHIIEGEKKVXIQ-UHFFFAOYSA-N 1 0 356.466 4.694 50 0 FJAARO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000035075098 571114499 /nfs/dbraw/zinc/11/44/99/571114499.db2.gz ZHNJYJRWQXTHLL-GQIGUUNPSA-N 1 0 374.956 4.703 50 0 FJAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1cc(C2CCCCC2)no1 ZINC000244734788 571115888 /nfs/dbraw/zinc/11/58/88/571115888.db2.gz NLVXMIJAKQRKJI-LJQANCHMSA-N 1 0 356.514 4.672 50 0 FJAARO Cc1cccc(-c2ncc(C[N@@H+](C)Cc3cccc4ncccc34)cn2)c1 ZINC000055154019 571117101 /nfs/dbraw/zinc/11/71/01/571117101.db2.gz IPQDUMPAYBWKNS-UHFFFAOYSA-N 1 0 354.457 4.632 50 0 FJAARO CCCCCC[NH2+]Cc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1 ZINC000248065542 571127477 /nfs/dbraw/zinc/12/74/77/571127477.db2.gz FAPKSVZXOWNFLG-UHFFFAOYSA-N 1 0 362.521 4.972 50 0 FJAARO CCCCC[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000248261936 571128629 /nfs/dbraw/zinc/12/86/29/571128629.db2.gz MTOWPIDYEXGIAP-UHFFFAOYSA-N 1 0 368.912 4.927 50 0 FJAARO CCCCCC[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000248248563 571128823 /nfs/dbraw/zinc/12/88/23/571128823.db2.gz HYIOQHOTSHJODY-UHFFFAOYSA-N 1 0 366.484 4.802 50 0 FJAARO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2c(C)cc(C)cc2[nH]1 ZINC000015862286 571138420 /nfs/dbraw/zinc/13/84/20/571138420.db2.gz JSBNLTDCOQVBHF-UHFFFAOYSA-N 1 0 354.881 4.820 50 0 FJAARO O[C@@H](C[NH2+]Cc1ccccc1OCc1ccccc1Cl)c1ccccc1 ZINC000016477553 571141779 /nfs/dbraw/zinc/14/17/79/571141779.db2.gz MCUIDBVFNHZYAR-NRFANRHFSA-N 1 0 367.876 4.742 50 0 FJAARO O=C(NC1CC1)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739899 571147306 /nfs/dbraw/zinc/14/73/06/571147306.db2.gz MCSJNHLWWGWDSR-GHTZIAJQSA-N 1 0 368.908 4.572 50 0 FJAARO c1[nH]nc(C2CCCCC2)c1-c1c(-c2ccccc2)ncn1[C@@H]1CC[NH2+]C1 ZINC000067934033 571151910 /nfs/dbraw/zinc/15/19/10/571151910.db2.gz NXCYONBBHZCFHQ-GOSISDBHSA-N 1 0 361.493 4.522 50 0 FJAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)s1)c1csc2ccccc21 ZINC000575621387 571173354 /nfs/dbraw/zinc/17/33/54/571173354.db2.gz NXSVVHWCUDGWGT-CYBMUJFWSA-N 1 0 364.923 4.649 50 0 FJAARO Cn1c2ccccc2nc1-c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)o1 ZINC000072145999 571173420 /nfs/dbraw/zinc/17/34/20/571173420.db2.gz DSRWSANXERJDNQ-FQEVSTJZSA-N 1 0 358.445 4.565 50 0 FJAARO Cc1cccc(-c2nnc([C@@H](C)N[C@H](C)c3ccc(-n4ccnc4)cc3)o2)c1 ZINC000012530970 571174865 /nfs/dbraw/zinc/17/48/65/571174865.db2.gz LGLRACBARNKYLL-IAGOWNOFSA-N 1 0 373.460 4.643 50 0 FJAARO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)c1cccnc1 ZINC000012533320 571175451 /nfs/dbraw/zinc/17/54/51/571175451.db2.gz QZDQWCPCCJBPIT-CYBMUJFWSA-N 1 0 357.251 4.955 50 0 FJAARO COc1cc(C[NH2+][C@@H](C)c2cccnc2)ccc1OCc1ccc(F)cc1 ZINC000012543699 571177933 /nfs/dbraw/zinc/17/79/33/571177933.db2.gz MLNUKKUIIRLGGH-INIZCTEOSA-N 1 0 366.436 4.659 50 0 FJAARO CCCc1nc2cc(CCC(=O)Nc3ccc(Cl)cc3F)ccc2[nH]1 ZINC000075465684 571186308 /nfs/dbraw/zinc/18/63/08/571186308.db2.gz JCGXWWVOGSHGNP-UHFFFAOYSA-N 1 0 359.832 4.879 50 0 FJAARO C[C@@H]([NH2+]C1CCC(O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000090799984 571188850 /nfs/dbraw/zinc/18/88/50/571188850.db2.gz TUZAINVKHTTYJS-BZFQTPOWSA-N 1 0 355.322 4.678 50 0 FJAARO CSc1ccccc1NC(=O)c1[nH]c2cc(C)sc2c1C[NH+](C)C ZINC000075487953 571190507 /nfs/dbraw/zinc/19/05/07/571190507.db2.gz ZZXLRVZAMKZZEE-UHFFFAOYSA-N 1 0 359.520 4.574 50 0 FJAARO Fc1ccccc1-c1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072411253 571191991 /nfs/dbraw/zinc/19/19/91/571191991.db2.gz XCUXLVOBZAYONF-UHFFFAOYSA-N 1 0 367.855 4.606 50 0 FJAARO O=C(Nc1cccc(-c2cccc(Cl)c2)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000299762336 571193744 /nfs/dbraw/zinc/19/37/44/571193744.db2.gz UHZUQEQHKQKHGL-OAQYLSRUSA-N 1 0 369.896 4.614 50 0 FJAARO Cn1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c(-c2cccc(Cl)c2)n1 ZINC000072448052 571197276 /nfs/dbraw/zinc/19/72/76/571197276.db2.gz DIVMHKACFPQCDU-FQEVSTJZSA-N 1 0 366.896 4.863 50 0 FJAARO C[NH2+]CCCOc1ccccc1-c1cc(NC2CCCC2)nc2[nH]ccc21 ZINC000072478337 571199457 /nfs/dbraw/zinc/19/94/57/571199457.db2.gz YNLFIUIJBYTYAR-UHFFFAOYSA-N 1 0 364.493 4.573 50 0 FJAARO COc1ccc(-n2cc(C[NH+]3CCCC3)c(-c3ccccc3Cl)n2)cc1 ZINC000072479053 571199522 /nfs/dbraw/zinc/19/95/22/571199522.db2.gz TXHCGMOSGHXVNV-UHFFFAOYSA-N 1 0 367.880 4.797 50 0 FJAARO CN1C[C@]2(CC[N@H+](Cc3cccc(-c4ccc5ccccc5c4)c3)C2)OC1=O ZINC000072481352 571200063 /nfs/dbraw/zinc/20/00/63/571200063.db2.gz HIDSPSQWOLXJFH-DEOSSOPVSA-N 1 0 372.468 4.533 50 0 FJAARO COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000004038369 571204106 /nfs/dbraw/zinc/20/41/06/571204106.db2.gz NJKRITVJGFNMNK-DNQXCXABSA-N 1 0 367.533 4.948 50 0 FJAARO CCC[NH+]1CCN(C(=O)c2ccc(-c3cc(C)c(F)cc3Cl)cc2)CC1 ZINC000534667898 571208465 /nfs/dbraw/zinc/20/84/65/571208465.db2.gz HKFVXWNWMPATSA-UHFFFAOYSA-N 1 0 374.887 4.622 50 0 FJAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2)N3)C1 ZINC000006563944 571209718 /nfs/dbraw/zinc/20/97/18/571209718.db2.gz ZGSMCKOMEXOSRU-MRXNPFEDSA-N 1 0 361.898 4.597 50 0 FJAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)cc1 ZINC000077556481 571215568 /nfs/dbraw/zinc/21/55/68/571215568.db2.gz FEXDZPDCRFWILT-JOCHJYFZSA-N 1 0 361.489 4.597 50 0 FJAARO CC(C)[N@@H+]1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3F)cc2)C[C@H]1C ZINC000426484466 571227489 /nfs/dbraw/zinc/22/74/89/571227489.db2.gz MPXWOAZCMKXUFC-OAHLLOKOSA-N 1 0 374.887 4.701 50 0 FJAARO CC[NH+](CC)C[C@H]1CCCN1C(=O)c1ccc(-c2cc(F)ccc2C)cc1 ZINC000426546221 571231318 /nfs/dbraw/zinc/23/13/18/571231318.db2.gz ONGOWQNQFBFEET-OAQYLSRUSA-N 1 0 368.496 4.748 50 0 FJAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccccc3Cl)cc2)C1 ZINC000072280560 571231831 /nfs/dbraw/zinc/23/18/31/571231831.db2.gz KUPPQNOCUNXXEO-MRXNPFEDSA-N 1 0 371.912 4.894 50 0 FJAARO Cc1cc(C)n(Cc2ccc(-c3ccc([C@H](C)[NH+]4CCCC4)cc3)nc2)n1 ZINC000426719781 571236517 /nfs/dbraw/zinc/23/65/17/571236517.db2.gz CFJBTEPEPFKJTK-IBGZPJMESA-N 1 0 360.505 4.767 50 0 FJAARO CC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1C)CC1CCCCC1 ZINC000004807291 571237472 /nfs/dbraw/zinc/23/74/72/571237472.db2.gz BYBSOAORGKAJDN-DEOSSOPVSA-N 1 0 368.565 4.998 50 0 FJAARO Cc1ccc(C)c(C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C(C)C)c1 ZINC000036031947 571239141 /nfs/dbraw/zinc/23/91/41/571239141.db2.gz PWEUVQMDKXESMX-HXUWFJFHSA-N 1 0 361.913 4.607 50 0 FJAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)o1 ZINC000091664450 571242013 /nfs/dbraw/zinc/24/20/13/571242013.db2.gz NQPLEZRTQJCVFR-SFHVURJKSA-N 1 0 372.553 4.729 50 0 FJAARO CCC[C@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000006811653 571247894 /nfs/dbraw/zinc/24/78/94/571247894.db2.gz ZPRSLNGJTTYSCX-RPWUZVMVSA-N 1 0 367.533 4.953 50 0 FJAARO COc1ccc(OC)c(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2)c1 ZINC000036347924 571249018 /nfs/dbraw/zinc/24/90/18/571249018.db2.gz ABDYSXXHYZOOAO-HSZRJFAPSA-N 1 0 362.473 4.501 50 0 FJAARO C[C@@H](CNC(=S)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000036847559 571263392 /nfs/dbraw/zinc/26/33/92/571263392.db2.gz FODGSWMIZSILCB-NEPJUHHUSA-N 1 0 360.354 4.543 50 0 FJAARO COc1ccccc1NC1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC000170603047 571267132 /nfs/dbraw/zinc/26/71/32/571267132.db2.gz YCRHBWSVZLOVDM-UHFFFAOYSA-N 1 0 361.489 4.628 50 0 FJAARO CC(C)(CNc1cc(C(F)(F)F)nc2ccccc21)[NH+]1CCCCC1 ZINC000089761807 571272871 /nfs/dbraw/zinc/27/28/71/571272871.db2.gz HRDUJGLVXKESSL-UHFFFAOYSA-N 1 0 351.416 4.930 50 0 FJAARO CCC(CC)([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1 ZINC000076017842 571273688 /nfs/dbraw/zinc/27/36/88/571273688.db2.gz RYGYBRHDVHLIGE-UHFFFAOYSA-N 1 0 354.885 4.726 50 0 FJAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccc(N2CCCCC2)cc1 ZINC000007620741 571284448 /nfs/dbraw/zinc/28/44/48/571284448.db2.gz WJTWKVCMFCXHSC-IBGZPJMESA-N 1 0 369.534 4.514 50 0 FJAARO C[NH+](C)C1(CNC(=O)c2sccc2-c2ccc(F)cc2)CCCCC1 ZINC000066041565 571289429 /nfs/dbraw/zinc/28/94/29/571289429.db2.gz MMDMLPDLQGAACI-UHFFFAOYSA-N 1 0 360.498 4.549 50 0 FJAARO Cc1ccc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)cc1Cl ZINC000007922145 571294291 /nfs/dbraw/zinc/29/42/91/571294291.db2.gz MFHMEEMFHMUNSL-CYBMUJFWSA-N 1 0 373.909 4.890 50 0 FJAARO Cc1ccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c(C)c1 ZINC000007922234 571294340 /nfs/dbraw/zinc/29/43/40/571294340.db2.gz TXBKBEFIKYASQI-HNNXBMFYSA-N 1 0 353.491 4.545 50 0 FJAARO CCc1c(-c2ccccc2)[n+](=O)c(-c2ccc(Cl)c(C)c2)c(C)n1O ZINC000136088692 571309241 /nfs/dbraw/zinc/30/92/41/571309241.db2.gz KOWMPHUKYKTEMX-UHFFFAOYSA-N 1 0 355.845 4.807 50 0 FJAARO CCN(Cc1ccccc1Cl)C(=O)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000584888162 571314081 /nfs/dbraw/zinc/31/40/81/571314081.db2.gz JLFAXRQUDAFYFW-FQEVSTJZSA-N 1 0 373.928 4.565 50 0 FJAARO FC(F)(F)c1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019537646 571326447 /nfs/dbraw/zinc/32/64/47/571326447.db2.gz NKDSUWQPWJBWQU-QPJJXVBHSA-N 1 0 360.423 4.536 50 0 FJAARO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1nc(C)c(C)o1 ZINC000095943575 571332474 /nfs/dbraw/zinc/33/24/74/571332474.db2.gz MGDCBWLROVENRJ-INIZCTEOSA-N 1 0 351.288 4.555 50 0 FJAARO CC[NH+](CC)CCNc1ccc(NC(=O)c2ccccc2)c2ccccc12 ZINC000096026838 571334087 /nfs/dbraw/zinc/33/40/87/571334087.db2.gz OTZDRFYKDJVNAY-UHFFFAOYSA-N 1 0 361.489 4.846 50 0 FJAARO Fc1ccccc1Nc1ncc2c(n1)CCN(Cc1cccc(Cl)c1)C2 ZINC000021639651 571335266 /nfs/dbraw/zinc/33/52/66/571335266.db2.gz BDPGVTUTDGPQBF-UHFFFAOYSA-N 1 0 368.843 4.571 50 0 FJAARO Fc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(Cl)cc2)C3)cc1 ZINC000021639767 571335308 /nfs/dbraw/zinc/33/53/08/571335308.db2.gz JNLZHOLIOXLGFI-UHFFFAOYSA-N 1 0 368.843 4.571 50 0 FJAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000028294871 571338967 /nfs/dbraw/zinc/33/89/67/571338967.db2.gz JGCAIASWQIIKJJ-GOSISDBHSA-N 1 0 370.880 4.736 50 0 FJAARO CC(=O)c1oc2ccccc2c1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000057335974 571342594 /nfs/dbraw/zinc/34/25/94/571342594.db2.gz LUWWMTIBKCXSNZ-HXUWFJFHSA-N 1 0 364.445 4.561 50 0 FJAARO Cc1ccc(C)c(NC(=S)N2CCC([N@H+](C)C3CCCCC3)CC2)c1 ZINC000003045537 571344070 /nfs/dbraw/zinc/34/40/70/571344070.db2.gz BTGCMUPZDQJSAS-UHFFFAOYSA-N 1 0 359.583 4.729 50 0 FJAARO C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003206348 571345497 /nfs/dbraw/zinc/34/54/97/571345497.db2.gz WGTOLGDFKAMFSC-GUYCJALGSA-N 1 0 363.914 4.749 50 0 FJAARO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3cccc(OC)c3)c(C)c2c1 ZINC000670452589 571353035 /nfs/dbraw/zinc/35/30/35/571353035.db2.gz RSQOLDMWFFREFS-QFIPXVFZSA-N 1 0 350.462 4.831 50 0 FJAARO COc1ccccc1[C@]1(CC[NH2+]Cc2ccccc2)CCO[C@@H](C(C)C)C1 ZINC000004043898 571354440 /nfs/dbraw/zinc/35/44/40/571354440.db2.gz MCHNBXKKQKBCSE-DNQXCXABSA-N 1 0 367.533 4.948 50 0 FJAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1cc2ccccc2cn1 ZINC000670463589 571357878 /nfs/dbraw/zinc/35/78/78/571357878.db2.gz XSVXPCUSFSOVIK-HSZRJFAPSA-N 1 0 373.500 4.582 50 0 FJAARO c1ccc(C[NH2+]CC[C@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000001833886 210227742 /nfs/dbraw/zinc/22/77/42/210227742.db2.gz DAQYQXCZLPUQGW-JOCHJYFZSA-N 1 0 359.469 4.922 50 0 FJAARO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCc2nc3ccccc3s2)C1 ZINC000222097337 210177632 /nfs/dbraw/zinc/17/76/32/210177632.db2.gz URMDPOGBOZJLMH-IEBWSBKVSA-N 1 0 365.546 4.654 50 0 FJAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000229657441 210176253 /nfs/dbraw/zinc/17/62/53/210176253.db2.gz ZBYJAJDJZJDFFS-JZKQVHKSSA-N 1 0 361.482 4.973 50 0 FJAARO c1csc(-c2cc3c(c(O[C@H]4CCc5ccccc54)c2)OCC[NH2+]C3)c1 ZINC000299780305 210024757 /nfs/dbraw/zinc/02/47/57/210024757.db2.gz KSLSQLDTOHJTBG-IBGZPJMESA-N 1 0 363.482 4.963 50 0 FJAARO OC(c1ccc(Cl)s1)(c1ccc(Cl)s1)[C@@H]1C[NH+]2CCC1CC2 ZINC000000920376 219340904 /nfs/dbraw/zinc/34/09/04/219340904.db2.gz ZDHSJVXBNDEQSR-LLVKDONJSA-N 1 0 374.358 4.694 50 0 FJAARO COc1cc(C[NH2+]C2CC2)ccc1OCc1c(Cl)cccc1Cl ZINC000008471263 219863243 /nfs/dbraw/zinc/86/32/43/219863243.db2.gz XGWHHJZTQFXPFW-UHFFFAOYSA-N 1 0 352.261 4.833 50 0 FJAARO COc1ccc(-c2cn3c([n+]2-c2ccc(Cl)cc2)CCCCC3)cc1 ZINC000000623069 203934698 /nfs/dbraw/zinc/93/46/98/203934698.db2.gz ZQSSCNKHMJFTDP-UHFFFAOYSA-N 1 0 353.873 4.820 50 0 FJAARO CSC1=[NH+]C(C)(C)C[C@@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000002501007 204042284 /nfs/dbraw/zinc/04/22/84/204042284.db2.gz IKQVAWAYEBGDCK-GHTZIAJQSA-N 1 0 368.502 4.602 50 0 FJAARO COc1ccc(C[NH2+]CC[C@@H](Cc2ccccc2)c2ccco2)cc1OC ZINC000001816754 204020388 /nfs/dbraw/zinc/02/03/88/204020388.db2.gz VCZNVUHJXKMCHR-FQEVSTJZSA-N 1 0 365.473 4.803 50 0 FJAARO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Cl)c1OC ZINC000002215731 204029407 /nfs/dbraw/zinc/02/94/07/204029407.db2.gz IRASSIFWXOHSOS-UHFFFAOYSA-N 1 0 358.869 4.561 50 0 FJAARO CC[NH+](CC)CCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc21 ZINC000002955639 204070556 /nfs/dbraw/zinc/07/05/56/204070556.db2.gz FCYAXEHBEOWRNC-UHFFFAOYSA-N 1 0 366.896 4.951 50 0 FJAARO C[C@H]1CCc2c(sc3ncnc(NC[C@H](c4ccccc4)[NH+](C)C)c23)C1 ZINC000003285403 204087581 /nfs/dbraw/zinc/08/75/81/204087581.db2.gz CVERDUYFQPGPKY-WMLDXEAASA-N 1 0 366.534 4.531 50 0 FJAARO C[N@H+](C[C@H](O)COc1ccc2oc3ccccc3c2c1)C1CCCCC1 ZINC000003305287 204089996 /nfs/dbraw/zinc/08/99/96/204089996.db2.gz LRNXSFRHSVLSPN-KRWDZBQOSA-N 1 0 353.462 4.590 50 0 FJAARO CCCCCC[NH2+]C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000002626772 204046501 /nfs/dbraw/zinc/04/65/01/204046501.db2.gz CMXDXGPJFDZWBN-JOCHJYFZSA-N 1 0 369.549 4.922 50 0 FJAARO COc1cc2c(cc1OCc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]CC2 ZINC000003847354 204112322 /nfs/dbraw/zinc/11/23/22/204112322.db2.gz BXRDOICCYVPWDR-JOCHJYFZSA-N 1 0 359.469 4.704 50 0 FJAARO CC(=O)Nc1sc2c(c1[C@H](c1cccnc1)[NH+]1CCCCC1)CCCC2 ZINC000004193659 204127083 /nfs/dbraw/zinc/12/70/83/204127083.db2.gz PWNZQDIWJUPQCS-FQEVSTJZSA-N 1 0 369.534 4.556 50 0 FJAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc(Cl)c1 ZINC000004679235 204153808 /nfs/dbraw/zinc/15/38/08/204153808.db2.gz CDCILSZATJRKFR-UHFFFAOYSA-N 1 0 359.832 4.601 50 0 FJAARO COc1cccc(-c2c[nH+]c(NCc3ccc(C(F)(F)F)cc3)n2C)c1 ZINC000004678698 204154417 /nfs/dbraw/zinc/15/44/17/204154417.db2.gz OPDKJWCMJZYOFN-UHFFFAOYSA-N 1 0 361.367 4.727 50 0 FJAARO CCOc1cc(C[NH2+]Cc2cccs2)cc(Br)c1OCC ZINC000004486585 204141486 /nfs/dbraw/zinc/14/14/86/204141486.db2.gz JLCZXQCYGWUHCG-UHFFFAOYSA-N 1 0 370.312 4.598 50 0 FJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1 ZINC000004556151 204147034 /nfs/dbraw/zinc/14/70/34/204147034.db2.gz BFUQMMQBRKJPQA-SFHVURJKSA-N 1 0 369.534 4.853 50 0 FJAARO CC(C)c1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000004554765 204147082 /nfs/dbraw/zinc/14/70/82/204147082.db2.gz AOJFXYKSBMUEDU-UHFFFAOYSA-N 1 0 366.505 4.813 50 0 FJAARO CCCCCOC(=O)CSc1sc2ccccc2[n+]1CCCC ZINC000005502886 204212694 /nfs/dbraw/zinc/21/26/94/204212694.db2.gz ATOAIPQWGFAGPZ-UHFFFAOYSA-N 1 0 352.545 4.814 50 0 FJAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2F)cc1 ZINC000005254861 204199434 /nfs/dbraw/zinc/19/94/34/204199434.db2.gz WGYUNJBUDLXZGQ-WWNPGLIZSA-N 1 0 369.480 4.703 50 0 FJAARO Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c(C(C)C)cc1Cl ZINC000006052304 204234858 /nfs/dbraw/zinc/23/48/58/204234858.db2.gz WBUQDBZWBIJYKV-UJAMICLKSA-N 1 0 367.961 4.926 50 0 FJAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2)N3)C1 ZINC000006563943 204253547 /nfs/dbraw/zinc/25/35/47/204253547.db2.gz ZGSMCKOMEXOSRU-INIZCTEOSA-N 1 0 361.898 4.597 50 0 FJAARO Cc1ccc(Cl)cc1NC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000006877192 204278277 /nfs/dbraw/zinc/27/82/77/204278277.db2.gz OCDZSXPGTKOPGN-UHFFFAOYSA-N 1 0 363.933 4.624 50 0 FJAARO CC(C)OCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000007779653 204307077 /nfs/dbraw/zinc/30/70/77/204307077.db2.gz OWAFZVOTPSGCFC-UHFFFAOYSA-N 1 0 355.507 4.506 50 0 FJAARO CCCc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2OC)C(C)C)cc1 ZINC000007851399 204309139 /nfs/dbraw/zinc/30/91/39/204309139.db2.gz SZNAFIRJWGJXQY-JOCHJYFZSA-N 1 0 354.494 4.573 50 0 FJAARO CCCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2OC)C(C)C)cc1 ZINC000007851402 204309205 /nfs/dbraw/zinc/30/92/05/204309205.db2.gz SZNAFIRJWGJXQY-QFIPXVFZSA-N 1 0 354.494 4.573 50 0 FJAARO C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCCc2ccccc21 ZINC000008126681 204317985 /nfs/dbraw/zinc/31/79/85/204317985.db2.gz RZYLYDVIVPJXJB-KRWDZBQOSA-N 1 0 363.288 4.941 50 0 FJAARO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCCc2ccccc21 ZINC000008126766 204319644 /nfs/dbraw/zinc/31/96/44/204319644.db2.gz HXGGXHBPTDGCSA-KRWDZBQOSA-N 1 0 363.288 4.941 50 0 FJAARO CC(C)[NH2+]CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000008344754 204328588 /nfs/dbraw/zinc/32/85/88/204328588.db2.gz DXOJZXOQFUWGJE-QHCPKHFHSA-N 1 0 371.484 4.516 50 0 FJAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1cccs1 ZINC000007523902 204299447 /nfs/dbraw/zinc/29/94/47/204299447.db2.gz UBOPNKYEIWGODL-UHFFFAOYSA-N 1 0 357.450 4.765 50 0 FJAARO OC[C@]1(Cc2ccccc2F)CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000012711702 220019066 /nfs/dbraw/zinc/01/90/66/220019066.db2.gz MQQBIQQOMXLLKM-DEOSSOPVSA-N 1 0 363.476 4.796 50 0 FJAARO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1cccs1 ZINC000014114905 204565538 /nfs/dbraw/zinc/56/55/38/204565538.db2.gz YAEIILVWOUDZAW-MRXNPFEDSA-N 1 0 360.486 4.847 50 0 FJAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccc(C)cc2)CC1 ZINC000015679751 204616588 /nfs/dbraw/zinc/61/65/88/204616588.db2.gz VAQNVVDIBYPKRU-UHFFFAOYSA-N 1 0 357.523 4.575 50 0 FJAARO Cc1cc(Br)ccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000058379557 212007357 /nfs/dbraw/zinc/00/73/57/212007357.db2.gz NROVVFPHWLRLOB-SFHVURJKSA-N 1 0 373.294 4.533 50 0 FJAARO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](c2cccs2)c2ccccc2)c1 ZINC000057508886 211975655 /nfs/dbraw/zinc/97/56/55/211975655.db2.gz MCSDSTUYZNWAHN-JXFKEZNVSA-N 1 0 350.487 4.763 50 0 FJAARO CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)cc1 ZINC000021170842 204749839 /nfs/dbraw/zinc/74/98/39/204749839.db2.gz ZEOCEAVEAURTIT-OAQYLSRUSA-N 1 0 372.553 4.735 50 0 FJAARO COc1ccc(C[NH2+][C@@H](C)c2cccc3ccccc32)c(OC)c1OC ZINC000022787612 204787475 /nfs/dbraw/zinc/78/74/75/204787475.db2.gz BAUJPPFCHJFDJY-HNNXBMFYSA-N 1 0 351.446 4.716 50 0 FJAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc(Cl)s2)c2cccs2)CC1 ZINC000027573594 204865132 /nfs/dbraw/zinc/86/51/32/204865132.db2.gz ZZTWIABBUYLBKZ-CYBMUJFWSA-N 1 0 368.955 4.666 50 0 FJAARO CCC[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036031873 205002558 /nfs/dbraw/zinc/00/25/58/205002558.db2.gz LDKQUUBGJFVHLK-FQEVSTJZSA-N 1 0 361.913 4.609 50 0 FJAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(OC)cc2)cc1 ZINC000036347567 205011130 /nfs/dbraw/zinc/01/11/30/205011130.db2.gz IBGVGRJUTQRTOY-HSZRJFAPSA-N 1 0 362.473 4.501 50 0 FJAARO CC[C@H](C)c1ccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000013325027 220063854 /nfs/dbraw/zinc/06/38/54/220063854.db2.gz XVEQNBDPLMQLSL-KRWDZBQOSA-N 1 0 367.493 4.676 50 0 FJAARO Cc1cccc(C[NH+]2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)c1 ZINC000070635537 205023340 /nfs/dbraw/zinc/02/33/40/205023340.db2.gz LGOCEAUIXBCDAV-UHFFFAOYSA-N 1 0 351.425 4.564 50 0 FJAARO c1cnn(-c2ccc(C[N@@H+]3CCC[C@@H]3c3nc4ccccc4s3)cc2)c1 ZINC000037122293 205024075 /nfs/dbraw/zinc/02/40/75/205024075.db2.gz YHUQJBMDOLTRRG-LJQANCHMSA-N 1 0 360.486 4.819 50 0 FJAARO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)C1 ZINC000040107912 205055701 /nfs/dbraw/zinc/05/57/01/205055701.db2.gz TYTYBJKISNHCPL-GOSISDBHSA-N 1 0 364.489 4.520 50 0 FJAARO Cc1cc2oc(=O)cc(C[NH2+][C@H]3CCCc4ccccc43)c2cc1Cl ZINC000040460166 205070346 /nfs/dbraw/zinc/07/03/46/205070346.db2.gz CPABZUTWTOTHEZ-IBGZPJMESA-N 1 0 353.849 4.922 50 0 FJAARO CCCCOCCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OCC)c1 ZINC000040729299 205078908 /nfs/dbraw/zinc/07/89/08/205078908.db2.gz YNHGYACTSLZIAA-UHFFFAOYSA-N 1 0 357.922 4.822 50 0 FJAARO CC(C)OCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000040738637 205079139 /nfs/dbraw/zinc/07/91/39/205079139.db2.gz QZHUQJPLILXPRI-UHFFFAOYSA-N 1 0 365.876 4.963 50 0 FJAARO CCOc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1cccc(C)c1 ZINC000040736598 205079193 /nfs/dbraw/zinc/07/91/93/205079193.db2.gz DMWYOUZCBQLXEX-UHFFFAOYSA-N 1 0 362.473 4.658 50 0 FJAARO OCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000040744868 205079646 /nfs/dbraw/zinc/07/96/46/205079646.db2.gz WNYFPQXKISISAQ-UHFFFAOYSA-N 1 0 355.865 4.544 50 0 FJAARO OCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040744337 205080709 /nfs/dbraw/zinc/08/07/09/205080709.db2.gz OJQARZUHEAKEBH-UHFFFAOYSA-N 1 0 372.267 4.574 50 0 FJAARO CCOc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccc(C)cc1 ZINC000040722034 205076935 /nfs/dbraw/zinc/07/69/35/205076935.db2.gz BWLFSDFDQBWPNP-UHFFFAOYSA-N 1 0 362.473 4.658 50 0 FJAARO Cc1cccc(COc2ccc3ccccc3c2CNCCC[NH+](C)C)c1 ZINC000040720088 205077671 /nfs/dbraw/zinc/07/76/71/205077671.db2.gz WRSGXFGDMDEKNJ-UHFFFAOYSA-N 1 0 362.517 4.769 50 0 FJAARO CC(C)Oc1c(Cl)cc(C[NH2+]C[C@H](O)c2ccccc2)cc1Cl ZINC000040721118 205077702 /nfs/dbraw/zinc/07/77/02/205077702.db2.gz NWIUXVDEMULLOJ-KRWDZBQOSA-N 1 0 354.277 4.604 50 0 FJAARO Cc1ccccc1COc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000040738295 205078456 /nfs/dbraw/zinc/07/84/56/205078456.db2.gz SMRSHUGBOKFYRL-UHFFFAOYSA-N 1 0 361.441 4.593 50 0 FJAARO CC(C)OCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000040722847 205078504 /nfs/dbraw/zinc/07/85/04/205078504.db2.gz BPJBWZRTXOPTNL-UHFFFAOYSA-N 1 0 365.876 4.963 50 0 FJAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]C[C@@H]2CCCO2)c1 ZINC000040734815 205078549 /nfs/dbraw/zinc/07/85/49/205078549.db2.gz GVSUCMRAXUUHBE-NRFANRHFSA-N 1 0 361.485 4.996 50 0 FJAARO COc1cccc(C[NH2+]Cc2cccs2)c1OCc1cccc(C)c1 ZINC000040722249 205078602 /nfs/dbraw/zinc/07/86/02/205078602.db2.gz OJXNEKUXENQDPG-UHFFFAOYSA-N 1 0 353.487 4.934 50 0 FJAARO COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 ZINC000042995835 205099954 /nfs/dbraw/zinc/09/99/54/205099954.db2.gz LTIIYDXCTSIEAB-SFHVURJKSA-N 1 0 365.452 4.604 50 0 FJAARO CO[C@H](C[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)c1ccccc1 ZINC000060528270 205285832 /nfs/dbraw/zinc/28/58/32/205285832.db2.gz GRNUXKHCIGDUDV-OAQYLSRUSA-N 1 0 369.896 4.620 50 0 FJAARO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1=C(Cl)CCCC1 ZINC000061308016 205287379 /nfs/dbraw/zinc/28/73/79/205287379.db2.gz CJTHNDHTEJSQPL-UHFFFAOYSA-N 1 0 364.942 4.549 50 0 FJAARO CCC[N@H+](C)Cc1ccc(-c2nc(-c3ccccc3Cl)cc(=O)[nH]2)cc1 ZINC000063848765 205295056 /nfs/dbraw/zinc/29/50/56/205295056.db2.gz YHSUHYQWHTZNIC-UHFFFAOYSA-N 1 0 367.880 4.599 50 0 FJAARO COc1ccc([C@@H](C)NC(=O)c2cc3c(s2)C[N@@H+](C2CCCC2)C3)cc1 ZINC000065238997 205326952 /nfs/dbraw/zinc/32/69/52/205326952.db2.gz ZXPRLMZGNXOHMF-CQSZACIVSA-N 1 0 370.518 4.506 50 0 FJAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1ccc(-c2ccccc2)nn1 ZINC000067649749 205380573 /nfs/dbraw/zinc/38/05/73/205380573.db2.gz MUDKAUJVYWTNPM-UHFFFAOYSA-N 1 0 361.445 4.540 50 0 FJAARO CC(C)c1cc(C2CC[NH+](Cc3ccc([C@H]4CCCCO4)o3)CC2)[nH]n1 ZINC000067804105 205392679 /nfs/dbraw/zinc/39/26/79/205392679.db2.gz PSPWMLIZTUJKGU-HXUWFJFHSA-N 1 0 357.498 4.747 50 0 FJAARO Cc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)c2ccccc12 ZINC000082139111 205646108 /nfs/dbraw/zinc/64/61/08/205646108.db2.gz JAUGGYMYVLMVNJ-UHFFFAOYSA-N 1 0 371.484 4.547 50 0 FJAARO Cc1cccc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1C ZINC000084218971 205653579 /nfs/dbraw/zinc/65/35/79/205653579.db2.gz FYMWKCXAMATYDS-QZTJIDSGSA-N 1 0 365.521 4.582 50 0 FJAARO Cc1cccc(COc2ccc(C[NH2+]CCCOc3ccccn3)cc2)c1 ZINC000113396365 206089381 /nfs/dbraw/zinc/08/93/81/206089381.db2.gz QPKKDJONCHURKR-UHFFFAOYSA-N 1 0 362.473 4.528 50 0 FJAARO C[C@@H]1C[C@H](OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000075279219 211694556 /nfs/dbraw/zinc/69/45/56/211694556.db2.gz QWQRGWMBWMYNRI-PTUXOGIPSA-N 1 0 373.581 4.533 50 0 FJAARO Cc1cc(C)c(OCCCC[N@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000002823978 206157995 /nfs/dbraw/zinc/15/79/95/206157995.db2.gz URQBIGPVUPCUIG-CQSZACIVSA-N 1 0 354.332 4.957 50 0 FJAARO CC(C)COc1ccc(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001245234 206146992 /nfs/dbraw/zinc/14/69/92/206146992.db2.gz ULUIIUNAFOLEOS-JOCHJYFZSA-N 1 0 351.490 4.784 50 0 FJAARO C[NH+](C)CCCNc1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000001774683 206151227 /nfs/dbraw/zinc/15/12/27/206151227.db2.gz VCOAVFAHFJDIGU-UHFFFAOYSA-N 1 0 362.521 4.958 50 0 FJAARO O=C(C[NH2+]C1CCCCCCC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000006594318 206202987 /nfs/dbraw/zinc/20/29/87/206202987.db2.gz KYOMWUKMLPNGJV-UHFFFAOYSA-N 1 0 364.533 4.918 50 0 FJAARO O=C(CN1CCCC[C@@H]1c1nc2ccccc2s1)Nc1cccc(F)c1 ZINC000008004896 206214958 /nfs/dbraw/zinc/21/49/58/206214958.db2.gz DPXVQMBJFAGRGC-QGZVFWFLSA-N 1 0 369.465 4.601 50 0 FJAARO CC(C)C[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000006883555 206243190 /nfs/dbraw/zinc/24/31/90/206243190.db2.gz OHAFJXWQNJOIKO-UHFFFAOYSA-N 1 0 366.274 4.913 50 0 FJAARO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000006883540 206243791 /nfs/dbraw/zinc/24/37/91/206243791.db2.gz LWKOZRHEUDYGPR-UHFFFAOYSA-N 1 0 351.849 4.812 50 0 FJAARO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000102742343 206230042 /nfs/dbraw/zinc/23/00/42/206230042.db2.gz HMOJGKUPOBIJBW-SMIHKQSGSA-N 1 0 365.517 4.872 50 0 FJAARO Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC000002770475 206231857 /nfs/dbraw/zinc/23/18/57/206231857.db2.gz JVDIDXKFTLNADF-UHFFFAOYSA-N 1 0 359.311 4.834 50 0 FJAARO C[N@H+](C[C@H](O)c1ccccc1F)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000105719143 206233477 /nfs/dbraw/zinc/23/34/77/206233477.db2.gz DKCBNRHIQRQBQK-FCHUYYIVSA-N 1 0 353.412 4.720 50 0 FJAARO CC[NH+](CC)[C@@H](CNC(=S)Nc1ccc(C)cc1C)c1ccccc1 ZINC000016243056 206317015 /nfs/dbraw/zinc/31/70/15/206317015.db2.gz ZTRWWAAVEZLXQJ-FQEVSTJZSA-N 1 0 355.551 4.673 50 0 FJAARO C[NH2+]Cc1cc(Cl)c(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000019777375 206327000 /nfs/dbraw/zinc/32/70/00/206327000.db2.gz PLRWWLOJXGTLAE-UHFFFAOYSA-N 1 0 360.668 4.954 50 0 FJAARO O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N(Cc1cccc(Cl)c1)C1CC1 ZINC000215103644 206344078 /nfs/dbraw/zinc/34/40/78/206344078.db2.gz PTZPWIYVMQSNGB-LJQANCHMSA-N 1 0 368.908 4.612 50 0 FJAARO Fc1ccccc1OC1CC[NH+](Cc2ccc([C@@H]3CCCO3)s2)CC1 ZINC000215861930 206351985 /nfs/dbraw/zinc/35/19/85/206351985.db2.gz CSCQZRLJGPTLRY-IBGZPJMESA-N 1 0 361.482 4.782 50 0 FJAARO C[C@H]([NH2+][C@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000057508752 206385935 /nfs/dbraw/zinc/38/59/35/206385935.db2.gz AAHVOFVHUPKGGC-LIRRHRJNSA-N 1 0 354.450 4.593 50 0 FJAARO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)ccc1OCc1c(C)noc1C ZINC000022773727 206392717 /nfs/dbraw/zinc/39/27/17/206392717.db2.gz ZIKMGVKDGDHWAM-LIRRHRJNSA-N 1 0 358.482 4.547 50 0 FJAARO C[NH+]1CCN(C/C=C2/c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000022035105 211334848 /nfs/dbraw/zinc/33/48/48/211334848.db2.gz SYQCOJUTHOBPTA-UWVJOHFNSA-N 1 0 370.949 4.625 50 0 FJAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000022078186 211338026 /nfs/dbraw/zinc/33/80/26/211338026.db2.gz QZDKTMYGVONXAB-OXQOHEQNSA-N 1 0 358.570 4.656 50 0 FJAARO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2CC)cc1OC ZINC000021720869 211322752 /nfs/dbraw/zinc/32/27/52/211322752.db2.gz UYUDTDQMLAPIAV-KRWDZBQOSA-N 1 0 358.482 4.680 50 0 FJAARO CCCCC[C@@](O)(c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440612 211278421 /nfs/dbraw/zinc/27/84/21/211278421.db2.gz KABHBZDXXJZWEM-DNQXCXABSA-N 1 0 367.533 4.571 50 0 FJAARO O[C@@](C[NH2+]Cc1ccccc1Cl)(c1ccccc1)c1ccc(F)cc1 ZINC000020365956 211277118 /nfs/dbraw/zinc/27/71/18/211277118.db2.gz UJPJABBOBGIZLT-NRFANRHFSA-N 1 0 355.840 4.505 50 0 FJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC2CCCC2)cc1 ZINC000019874271 211260289 /nfs/dbraw/zinc/26/02/89/211260289.db2.gz ACQNYUPPSLAKBX-JOCHJYFZSA-N 1 0 362.473 4.733 50 0 FJAARO COc1ccc2ccccc2c1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019634328 211242445 /nfs/dbraw/zinc/24/24/45/211242445.db2.gz SBBRSRBSSPJBBW-JXMROGBWSA-N 1 0 372.512 4.679 50 0 FJAARO CCc1ccc(C[NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000019359644 211218411 /nfs/dbraw/zinc/21/84/11/211218411.db2.gz OODRLIPBLPTYER-UHFFFAOYSA-N 1 0 362.439 4.586 50 0 FJAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)[C@@H]1C ZINC000017311113 211184281 /nfs/dbraw/zinc/18/42/81/211184281.db2.gz BQDRHTAKHRGNGD-DNVFCKCGSA-N 1 0 374.532 4.908 50 0 FJAARO Clc1cccc(-c2ccc(C[NH2+]CCCSc3ncccn3)o2)c1 ZINC000016399075 211161400 /nfs/dbraw/zinc/16/14/00/211161400.db2.gz UZMMVKICTOOQHD-UHFFFAOYSA-N 1 0 359.882 4.662 50 0 FJAARO Fc1ccc(COc2cccc(C[NH2+]CCc3ccccc3F)c2)cc1 ZINC000016449550 211160271 /nfs/dbraw/zinc/16/02/71/211160271.db2.gz WXQYZDCOBKGOOB-UHFFFAOYSA-N 1 0 353.412 4.876 50 0 FJAARO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCO1 ZINC000016525888 211162613 /nfs/dbraw/zinc/16/26/13/211162613.db2.gz ZRYYUAGCPAFJSE-IBGZPJMESA-N 1 0 365.448 4.827 50 0 FJAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000015581963 211133224 /nfs/dbraw/zinc/13/32/24/211133224.db2.gz JQUUWAIYNYUYMJ-UHFFFAOYSA-N 1 0 373.422 4.857 50 0 FJAARO C[N@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)C(C1CC1)C1CC1 ZINC000015077591 211121122 /nfs/dbraw/zinc/12/11/22/211121122.db2.gz LOTQHRHWLWKTEO-UHFFFAOYSA-N 1 0 373.500 4.870 50 0 FJAARO Cc1ccccc1Oc1ncccc1C[NH2+]Cc1cccn1-c1cccnc1 ZINC000015072417 211118702 /nfs/dbraw/zinc/11/87/02/211118702.db2.gz XQRRNUUIJKZNIX-UHFFFAOYSA-N 1 0 370.456 4.658 50 0 FJAARO Cc1ccc(N[C@@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)cc1C ZINC000015074357 211118378 /nfs/dbraw/zinc/11/83/78/211118378.db2.gz CXINDQBHBZLVEM-LJQANCHMSA-N 1 0 366.534 4.627 50 0 FJAARO Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000014977544 211111806 /nfs/dbraw/zinc/11/18/06/211111806.db2.gz JSQWADIYAHYYOK-OAQYLSRUSA-N 1 0 367.443 4.935 50 0 FJAARO COc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000014983792 211111576 /nfs/dbraw/zinc/11/15/76/211111576.db2.gz SAJCQMROHJSGKH-UHFFFAOYSA-N 1 0 361.489 4.773 50 0 FJAARO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(O)cc1)C[C@H](c1ccsc1)O2 ZINC000014990967 211111433 /nfs/dbraw/zinc/11/14/33/211111433.db2.gz DIZGKRYZBDDZPP-OAQYLSRUSA-N 1 0 351.471 4.898 50 0 FJAARO Cc1sc2[nH]c([C@H](C)[NH2+][C@H](C)c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000014137083 211077540 /nfs/dbraw/zinc/07/75/40/211077540.db2.gz BQKLUWSPPHHPNO-MNOVXSKESA-N 1 0 361.898 4.667 50 0 FJAARO OCCCCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000013727066 211054046 /nfs/dbraw/zinc/05/40/46/211054046.db2.gz XDENMHOOVCQRCY-UHFFFAOYSA-N 1 0 367.464 4.810 50 0 FJAARO CCCCOCCC[NH2+]Cc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000013719616 211052116 /nfs/dbraw/zinc/05/21/16/211052116.db2.gz XEHBONSLVXBULK-UHFFFAOYSA-N 1 0 371.521 4.961 50 0 FJAARO CC(C)OCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013721797 211051946 /nfs/dbraw/zinc/05/19/46/211051946.db2.gz ZWMFHBPKYXMVGN-UHFFFAOYSA-N 1 0 365.876 4.963 50 0 FJAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000013020119 211020173 /nfs/dbraw/zinc/02/01/73/211020173.db2.gz CWJWVXOHUQSBAT-LJQANCHMSA-N 1 0 374.484 4.579 50 0 FJAARO CCOc1ccc(Br)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000008324488 210781935 /nfs/dbraw/zinc/78/19/35/210781935.db2.gz QMUGWXFNDKOCOA-UHFFFAOYSA-N 1 0 364.327 4.762 50 0 FJAARO COc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000007538300 210743817 /nfs/dbraw/zinc/74/38/17/210743817.db2.gz XNKNSBYVRHWPBV-UHFFFAOYSA-N 1 0 363.457 4.573 50 0 FJAARO CCC[C@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000006811651 210705846 /nfs/dbraw/zinc/70/58/46/210705846.db2.gz ZPRSLNGJTTYSCX-ZEQRLZLVSA-N 1 0 367.533 4.953 50 0 FJAARO CC(C)C[NH+](CC(C)C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002198080 210383920 /nfs/dbraw/zinc/38/39/20/210383920.db2.gz MFXOUUHTHFOOOW-IBGZPJMESA-N 1 0 352.522 4.769 50 0 FJAARO CC(C)Oc1ccc([C@@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000822599 210275894 /nfs/dbraw/zinc/27/58/94/210275894.db2.gz CGNFTBAYNOZJGF-DHIUTWEWSA-N 1 0 353.506 4.777 50 0 FJAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@H]3C)CC2)c(C)c1 ZINC000020733558 220340547 /nfs/dbraw/zinc/34/05/47/220340547.db2.gz YYOPNVHKWFFAIH-DYESRHJHSA-N 1 0 373.610 4.975 50 0 FJAARO CC1(C)CC(NC(=O)CC(c2ccccc2)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000000800341 210272847 /nfs/dbraw/zinc/27/28/47/210272847.db2.gz IESMVPPWYYJELN-UHFFFAOYSA-N 1 0 364.533 4.634 50 0 FJAARO CC(C)[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057529533 221091167 /nfs/dbraw/zinc/09/11/67/221091167.db2.gz LKOPIZBVRYUGLP-PMACEKPBSA-N 1 0 356.897 4.647 50 0 FJAARO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000058081580 221098189 /nfs/dbraw/zinc/09/81/89/221098189.db2.gz FQVKZURGBHTZGG-MRXNPFEDSA-N 1 0 360.860 4.638 50 0 FJAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071749372 221360734 /nfs/dbraw/zinc/36/07/34/221360734.db2.gz LGQORFXWGJDKFR-INIZCTEOSA-N 1 0 351.416 4.582 50 0 FJAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(c1ccc3ccccc3n1)CC2 ZINC000095508929 132212896 /nfs/dbraw/zinc/21/28/96/132212896.db2.gz STBNKUSOBKUCAI-NRFANRHFSA-N 1 0 357.501 4.693 50 0 FJAARO Cc1scc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000020514351 132897049 /nfs/dbraw/zinc/89/70/49/132897049.db2.gz JUUAZIOENUWDKT-UHFFFAOYSA-N 1 0 354.441 4.706 50 0 FJAARO O=C(N[C@H]1CC[C@H]1[NH2+]C1CCCCC1)c1ccccc1Oc1ccccc1 ZINC000072454431 221537039 /nfs/dbraw/zinc/53/70/39/221537039.db2.gz PVFJBRXCIMZGLW-RTWAWAEBSA-N 1 0 364.489 4.662 50 0 FJAARO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[NH2+]C(C)C ZINC000096116208 222031223 /nfs/dbraw/zinc/03/12/23/222031223.db2.gz APWPUNXKJHJSAP-UHFFFAOYSA-N 1 0 362.429 4.716 50 0 FJAARO CCCN(C/C=C/c1ccccc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097532724 222190199 /nfs/dbraw/zinc/19/01/99/222190199.db2.gz PYOSJUYUHREZMN-DHZHZOJOSA-N 1 0 362.517 4.848 50 0 FJAARO Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnc(N(C)C)s2)ccc1F ZINC000102834691 222310371 /nfs/dbraw/zinc/31/03/71/222310371.db2.gz QYFHKIASVYMTGV-BJWYYQGGSA-N 1 0 359.514 4.567 50 0 FJAARO CCCOc1c(Br)cc(C[NH2+]Cc2cccs2)cc1OC ZINC000020932801 520292757 /nfs/dbraw/zinc/29/27/57/520292757.db2.gz NHSMDJNKGKTIAR-UHFFFAOYSA-N 1 0 370.312 4.598 50 0 FJAARO CCN(CC)CC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000085577596 520688159 /nfs/dbraw/zinc/68/81/59/520688159.db2.gz CQBYREFQWDUSJY-UHFFFAOYSA-N 1 0 350.428 4.804 50 0 FJAARO CCc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000241161310 521755502 /nfs/dbraw/zinc/75/55/02/521755502.db2.gz JZVCCBCXJOFARS-GCJKJVERSA-N 1 0 365.521 4.623 50 0 FJAARO COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000089905409 522157609 /nfs/dbraw/zinc/15/76/09/522157609.db2.gz YGFWNTPNZCCMGU-MRXNPFEDSA-N 1 0 351.446 4.682 50 0 FJAARO CCc1ccc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)cc1 ZINC000020807560 523948841 /nfs/dbraw/zinc/94/88/41/523948841.db2.gz OITNMNMBQXVBTL-UHFFFAOYSA-N 1 0 362.521 4.697 50 0 FJAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)cc1OC ZINC000019796837 523974728 /nfs/dbraw/zinc/97/47/28/523974728.db2.gz AQRVNUOUWJEEKU-UHFFFAOYSA-N 1 0 371.864 4.950 50 0 FJAARO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000248195154 524260639 /nfs/dbraw/zinc/26/06/39/524260639.db2.gz ORYWHTWXSGORLG-LSVFLDFNSA-N 1 0 371.521 4.505 50 0 FJAARO Cc1ccc(CN(C(=O)Nc2ccccc2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000020407391 524357463 /nfs/dbraw/zinc/35/74/63/524357463.db2.gz ZKHCVHXKVFRJRM-UHFFFAOYSA-N 1 0 369.509 4.931 50 0 FJAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000020889849 524436566 /nfs/dbraw/zinc/43/65/66/524436566.db2.gz CJAWSYLXNUKTMC-UHFFFAOYSA-N 1 0 365.521 4.646 50 0 FJAARO Cc1ccc(COc2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)cc1 ZINC000020874472 524631893 /nfs/dbraw/zinc/63/18/93/524631893.db2.gz YVEIVKBFZCRMGW-UHFFFAOYSA-N 1 0 361.441 4.593 50 0 FJAARO C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21)c1cccc2ccccc21 ZINC000245237484 525098396 /nfs/dbraw/zinc/09/83/96/525098396.db2.gz KTLOUFPCYIBSBC-HXOBKFHXSA-N 1 0 358.485 4.636 50 0 FJAARO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000084656002 526070479 /nfs/dbraw/zinc/07/04/79/526070479.db2.gz BLDJFAMZOZWCDT-INIZCTEOSA-N 1 0 356.897 4.769 50 0 FJAARO Cc1n[nH]c(C)c1C[N@H+](C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000020855452 526493411 /nfs/dbraw/zinc/49/34/11/526493411.db2.gz GZFNBHDYFLGALT-UHFFFAOYSA-N 1 0 371.488 4.716 50 0 FJAARO Cc1noc(C)c1NC(=O)c1ccc([C@H]2CCC[N@H+]2C/C=C/C(C)C)s1 ZINC000020537102 526546217 /nfs/dbraw/zinc/54/62/17/526546217.db2.gz OCZKARXEBDLTQR-BIENSFFJSA-N 1 0 373.522 4.954 50 0 FJAARO [NH3+]CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000087612803 527183221 /nfs/dbraw/zinc/18/32/21/527183221.db2.gz PQVLJKLTNMOGBT-UHFFFAOYSA-N 1 0 367.496 4.615 50 0 FJAARO OCc1ccc(C[C@@H]2CC[N@H+](Cc3ccc(OC4CCCC4)cc3)C2)cc1 ZINC000091586620 527632989 /nfs/dbraw/zinc/63/29/89/527632989.db2.gz LPKMORHDWCEOOK-QFIPXVFZSA-N 1 0 365.517 4.565 50 0 FJAARO O[C@@H](CN1c2ccccc2Sc2ccccc21)C[NH+]1CCCCCC1 ZINC000000706988 527650292 /nfs/dbraw/zinc/65/02/92/527650292.db2.gz FVPBECKJQJHQAY-QGZVFWFLSA-N 1 0 354.519 4.526 50 0 FJAARO Cc1cc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)oc1C ZINC000014965391 568277278 /nfs/dbraw/zinc/27/72/78/568277278.db2.gz MXBDKHAMTZSWSQ-QGZVFWFLSA-N 1 0 358.457 4.666 50 0 FJAARO CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000033268853 568477016 /nfs/dbraw/zinc/47/70/16/568477016.db2.gz CPPJXYWUXGGUSJ-UHFFFAOYSA-N 1 0 369.534 4.600 50 0 FJAARO CC(C)[C@H]1COCC[N@@H+]1CCCc1ccc(COc2ccccc2)cc1 ZINC000095101108 570451269 /nfs/dbraw/zinc/45/12/69/570451269.db2.gz DMEITRWKYQAHAB-HSZRJFAPSA-N 1 0 353.506 4.555 50 0 FJAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000002828222 570534586 /nfs/dbraw/zinc/53/45/86/570534586.db2.gz GSNXVVPLZCTFGX-UHFFFAOYSA-N 1 0 368.521 4.629 50 0 FJAARO CC[NH+]1CCC(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000003155530 570552924 /nfs/dbraw/zinc/55/29/24/570552924.db2.gz VLPQKIVYZPRLPN-UHFFFAOYSA-N 1 0 351.313 4.772 50 0 FJAARO C[C@@](O)(C[NH2+]Cc1ccc(Cl)cc1)CSc1cccc(Cl)c1 ZINC000004390033 570589218 /nfs/dbraw/zinc/58/92/18/570589218.db2.gz MKABSEMANSBTCM-QGZVFWFLSA-N 1 0 356.318 4.626 50 0 FJAARO COc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccccc1Cl ZINC000004413515 570590170 /nfs/dbraw/zinc/59/01/70/570590170.db2.gz YKGAHXJHNSYIIS-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO O=C(N[C@@H](CCCC[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000004713667 570602843 /nfs/dbraw/zinc/60/28/43/570602843.db2.gz NWXJLOIXRPPRIT-QFIPXVFZSA-N 1 0 350.506 4.814 50 0 FJAARO Cc1cc2[nH]c(C(=O)Nc3ccccc3C)c(C[NH+]3CCCC3)c2s1 ZINC000075487613 570614306 /nfs/dbraw/zinc/61/43/06/570614306.db2.gz GCVXOGSENLOUTR-UHFFFAOYSA-N 1 0 353.491 4.694 50 0 FJAARO COc1cccc(C[NH2+]Cc2cccs2)c1OCc1ccccc1F ZINC000005019727 570618335 /nfs/dbraw/zinc/61/83/35/570618335.db2.gz AZVFKZAFRWYRFB-UHFFFAOYSA-N 1 0 357.450 4.765 50 0 FJAARO Cc1cc(-c2ccc(C[NH2+]Cc3cccnc3)o2)ccc1Br ZINC000006715974 570652737 /nfs/dbraw/zinc/65/27/37/570652737.db2.gz AVMXJZXBYGCPBH-UHFFFAOYSA-N 1 0 357.251 4.702 50 0 FJAARO COc1cc2c(cc1C[N@@H+]1CCC[C@H](CO)C1)oc(C)c2-c1ccccc1 ZINC000584904370 570663664 /nfs/dbraw/zinc/66/36/64/570663664.db2.gz OLXQWWFDLYRBEL-KRWDZBQOSA-N 1 0 365.473 4.621 50 0 FJAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000008326713 570680243 /nfs/dbraw/zinc/68/02/43/570680243.db2.gz PFJDDMRUVXAYMG-ZDUSSCGKSA-N 1 0 351.849 4.955 50 0 FJAARO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCc1ccccc1 ZINC000008495526 570682339 /nfs/dbraw/zinc/68/23/39/570682339.db2.gz HKNVWHOCIIQGRA-UHFFFAOYSA-N 1 0 351.421 4.703 50 0 FJAARO CC(C)[C@H]1C[C@@](CC[NH2+]Cc2ccccn2)(Cc2ccccc2)CCO1 ZINC000008993026 570686409 /nfs/dbraw/zinc/68/64/09/570686409.db2.gz BZGWPDMFUVTYRS-DHIUTWEWSA-N 1 0 352.522 4.625 50 0 FJAARO CC(C)C[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000011879119 570710788 /nfs/dbraw/zinc/71/07/88/570710788.db2.gz IBAUZOHJTJCJDV-UHFFFAOYSA-N 1 0 370.468 4.925 50 0 FJAARO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000011874290 570710976 /nfs/dbraw/zinc/71/09/76/570710976.db2.gz FHLGMVCRCMXFMI-HSZRJFAPSA-N 1 0 356.469 4.844 50 0 FJAARO CC(=O)c1cccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1 ZINC000011879804 570711333 /nfs/dbraw/zinc/71/13/33/570711333.db2.gz SUQWRZDCSHBFGR-QHCPKHFHSA-N 1 0 373.500 4.859 50 0 FJAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000011911525 570711376 /nfs/dbraw/zinc/71/13/76/570711376.db2.gz CGPNREFTMCXNJP-NRFANRHFSA-N 1 0 373.500 4.700 50 0 FJAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4cccc(C)n4)C3)ccc2c1 ZINC000011932693 570711444 /nfs/dbraw/zinc/71/14/44/570711444.db2.gz XXLDPDOCCFMHIA-OAQYLSRUSA-N 1 0 374.484 4.647 50 0 FJAARO Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCn3cccn3)c(C)o2)s1 ZINC000012030416 570714474 /nfs/dbraw/zinc/71/44/74/570714474.db2.gz PLJUETWQQISXPN-QGZVFWFLSA-N 1 0 370.522 4.661 50 0 FJAARO Cc1nc2cc(NC(=O)[C@@H]3CC34CC[NH+](CC(C)(C)C)CC4)ccc2s1 ZINC000012041172 570715103 /nfs/dbraw/zinc/71/51/03/570715103.db2.gz XBAUTSVRYHIMJI-INIZCTEOSA-N 1 0 371.550 4.691 50 0 FJAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C(C)C)c(F)c1 ZINC000012093474 570718148 /nfs/dbraw/zinc/71/81/48/570718148.db2.gz CQHZYTTUFJHIKP-UHFFFAOYSA-N 1 0 353.441 4.527 50 0 FJAARO CC(=O)c1cccc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)c1 ZINC000012093034 570718188 /nfs/dbraw/zinc/71/81/88/570718188.db2.gz RQGCTGUNRVDCKC-QFIPXVFZSA-N 1 0 373.500 4.878 50 0 FJAARO O=C(c1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000012193136 570725783 /nfs/dbraw/zinc/72/57/83/570725783.db2.gz IZNBFTLAGAWFNC-SFHVURJKSA-N 1 0 373.452 4.663 50 0 FJAARO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000012195113 570726254 /nfs/dbraw/zinc/72/62/54/570726254.db2.gz AUHJZPZGPOWIIU-UHFFFAOYSA-N 1 0 366.486 4.859 50 0 FJAARO Cc1nn(C(C)C)c(C)c1C[NH2+][C@@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000012197152 570726337 /nfs/dbraw/zinc/72/63/37/570726337.db2.gz BKWGVHIZABJING-AWEZNQCLSA-N 1 0 369.488 4.565 50 0 FJAARO c1cn(CC[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)c2ccccc12 ZINC000012198279 570726796 /nfs/dbraw/zinc/72/67/96/570726796.db2.gz LCGVSMXXJDNJMZ-UHFFFAOYSA-N 1 0 356.429 4.567 50 0 FJAARO Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3cc(F)ccc3F)CC2)c1 ZINC000012242398 570730990 /nfs/dbraw/zinc/73/09/90/570730990.db2.gz MGZJJEDJEGLYRS-UHFFFAOYSA-N 1 0 371.406 4.874 50 0 FJAARO Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3cccc(F)c3F)CC2)c1 ZINC000012241414 570731034 /nfs/dbraw/zinc/73/10/34/570731034.db2.gz RZGLLKGLDPROHZ-UHFFFAOYSA-N 1 0 371.406 4.874 50 0 FJAARO O=C(CCC1CC[NH+](C[C@H]2CC=CCC2)CC1)NCc1cccc(Cl)c1 ZINC000012314741 570735671 /nfs/dbraw/zinc/73/56/71/570735671.db2.gz GWAOZRGPDWLTSL-IBGZPJMESA-N 1 0 374.956 4.805 50 0 FJAARO Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000012317559 570736309 /nfs/dbraw/zinc/73/63/09/570736309.db2.gz UFSIXQLWANASGS-HXUWFJFHSA-N 1 0 366.896 4.807 50 0 FJAARO CC(C)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000012317915 570736324 /nfs/dbraw/zinc/73/63/24/570736324.db2.gz UKRXLKSGUJDVER-NRFANRHFSA-N 1 0 367.493 4.713 50 0 FJAARO COc1ccc([C@]2(CC[NH2+]Cc3ccccc3)CCOC(C)(C)C2)cc1 ZINC000012384395 570740959 /nfs/dbraw/zinc/74/09/59/570740959.db2.gz GXKOSANWZUHEGJ-HSZRJFAPSA-N 1 0 353.506 4.702 50 0 FJAARO CC(C)(C)C[NH+]1CCC(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 ZINC000012439430 570745737 /nfs/dbraw/zinc/74/57/37/570745737.db2.gz VNWQETZVFMTBNT-UHFFFAOYSA-N 1 0 367.493 4.571 50 0 FJAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000017315467 570748814 /nfs/dbraw/zinc/74/88/14/570748814.db2.gz HOXQBHUEGFBXLZ-OAHLLOKOSA-N 1 0 369.459 4.986 50 0 FJAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1ccccc1Cl ZINC000017310515 570748887 /nfs/dbraw/zinc/74/88/87/570748887.db2.gz HKQOGOPODNYWLE-UHFFFAOYSA-N 1 0 353.897 4.800 50 0 FJAARO COc1ccc(-n2cc(C[NH2+]C(C)C)c(-c3ccccc3Cl)n2)cc1 ZINC000012754265 570759968 /nfs/dbraw/zinc/75/99/68/570759968.db2.gz IDRRHSLVXZOLCZ-UHFFFAOYSA-N 1 0 355.869 4.699 50 0 FJAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000012991480 570770757 /nfs/dbraw/zinc/77/07/57/570770757.db2.gz WUHLNWWAZNPZAR-UHFFFAOYSA-N 1 0 363.288 4.519 50 0 FJAARO CCOc1ccc(-[n+]2c(-c3ccc(OC)cc3)cn3c2CCCCC3)cc1 ZINC000013496518 570778271 /nfs/dbraw/zinc/77/82/71/570778271.db2.gz SUHSDBYPTUCXHW-UHFFFAOYSA-N 1 0 363.481 4.566 50 0 FJAARO COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1Cc1ccccc1F ZINC000013758775 570789377 /nfs/dbraw/zinc/78/93/77/570789377.db2.gz KDSGEFWXLQJWCW-UEVCKROQSA-N 1 0 369.480 4.703 50 0 FJAARO Cc1ccccc1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000014226907 570813943 /nfs/dbraw/zinc/81/39/43/570813943.db2.gz CGBFWWSYVPHBPN-UHFFFAOYSA-N 1 0 368.484 4.592 50 0 FJAARO C[NH+](C)C1(CNC(=O)c2cc(F)c(Cl)cc2Cl)CCCCCC1 ZINC000032820593 570817762 /nfs/dbraw/zinc/81/77/62/570817762.db2.gz ZPYKIYBDPNQMBL-UHFFFAOYSA-N 1 0 361.288 4.517 50 0 FJAARO CSC[C@H](C)[NH+]1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000014950378 570826284 /nfs/dbraw/zinc/82/62/84/570826284.db2.gz ZBNZJOSZOJNKES-ZDUSSCGKSA-N 1 0 372.937 4.661 50 0 FJAARO CC(C)(CNC(=S)Nc1ccc(SC(F)F)cc1)[NH+]1CCCCC1 ZINC000016240520 570852981 /nfs/dbraw/zinc/85/29/81/570852981.db2.gz CHWBUTOLBNUXAE-UHFFFAOYSA-N 1 0 373.538 4.552 50 0 FJAARO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000016401777 570855629 /nfs/dbraw/zinc/85/56/29/570855629.db2.gz USMURXJCDSYENG-SFHVURJKSA-N 1 0 366.288 4.841 50 0 FJAARO Fc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3F)c2)cc1 ZINC000016450066 570856692 /nfs/dbraw/zinc/85/66/92/570856692.db2.gz HLERSHAIPBUQCH-UHFFFAOYSA-N 1 0 353.412 4.876 50 0 FJAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000046989498 570878220 /nfs/dbraw/zinc/87/82/20/570878220.db2.gz HBMMXPJWATVBDM-GFCCVEGCSA-N 1 0 361.288 4.517 50 0 FJAARO O[C@H](C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000108064022 570902023 /nfs/dbraw/zinc/90/20/23/570902023.db2.gz OMXZPAKUEDUQIB-CTNGQTDRSA-N 1 0 371.452 4.707 50 0 FJAARO CCOc1cc2c(cc1OCC)[C@H](c1cc3ccccc3s1)[NH2+]CC2 ZINC000019848134 570904973 /nfs/dbraw/zinc/90/49/73/570904973.db2.gz ZESUAQAWHBOJRE-OAQYLSRUSA-N 1 0 353.487 4.934 50 0 FJAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000045581813 570910003 /nfs/dbraw/zinc/91/00/03/570910003.db2.gz KCQZXSUFLBHDKF-UHFFFAOYSA-N 1 0 358.485 4.756 50 0 FJAARO CCOc1cc2c(cc1OCC)[C@H](c1ccccc1C(F)(F)F)[NH2+]CC2 ZINC000020494589 570918651 /nfs/dbraw/zinc/91/86/51/570918651.db2.gz ZDZHGASVMDLROP-IBGZPJMESA-N 1 0 365.395 4.738 50 0 FJAARO CCCCC[NH2+]Cc1cc(Br)c(OCCC)c(OCC)c1 ZINC000020932384 570927088 /nfs/dbraw/zinc/92/70/88/570927088.db2.gz GFUMCNUHJAVBMS-UHFFFAOYSA-N 1 0 358.320 4.916 50 0 FJAARO O=C(Cc1cccc2ccccc21)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000021170490 570928785 /nfs/dbraw/zinc/92/87/85/570928785.db2.gz RCUHRLGFHXOUHH-JOCHJYFZSA-N 1 0 364.533 4.639 50 0 FJAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)ccc1OCC(C)C ZINC000021720324 570933552 /nfs/dbraw/zinc/93/35/52/570933552.db2.gz TUEQPMSEVDXHLM-GOSISDBHSA-N 1 0 358.482 4.672 50 0 FJAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(OC)c(Cl)c3)o2)cc1 ZINC000022107338 570939897 /nfs/dbraw/zinc/93/98/97/570939897.db2.gz XVTFOLMBHRYJDY-UHFFFAOYSA-N 1 0 371.864 4.950 50 0 FJAARO CCOc1ccccc1N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000005585931 570942572 /nfs/dbraw/zinc/94/25/72/570942572.db2.gz LGBUEVDWSCTNPM-UHFFFAOYSA-N 1 0 365.304 4.714 50 0 FJAARO Clc1ccc2c(c1)ncnc2N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000022318186 570942588 /nfs/dbraw/zinc/94/25/88/570942588.db2.gz YQVVAFFUZBDAAY-UHFFFAOYSA-N 1 0 363.852 4.544 50 0 FJAARO CC[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000022619741 570947729 /nfs/dbraw/zinc/94/77/29/570947729.db2.gz VPRVWFIOXRTXLG-RXVVDRJESA-N 1 0 370.924 4.787 50 0 FJAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Cl)c1OC(C)C ZINC000022771780 570949694 /nfs/dbraw/zinc/94/96/94/570949694.db2.gz UOEMRESEKWNYHO-UHFFFAOYSA-N 1 0 372.896 4.949 50 0 FJAARO c1ccc([C@H]2C[NH2+][C@@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c32)cc1 ZINC000023956887 570969354 /nfs/dbraw/zinc/96/93/54/570969354.db2.gz CKQGMZMTPNSSTE-JPYJTQIMSA-N 1 0 368.436 4.721 50 0 FJAARO CC(C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)c1 ZINC000025061878 570990109 /nfs/dbraw/zinc/99/01/09/570990109.db2.gz RSIVGOKSZZRPAI-UHFFFAOYSA-N 1 0 366.436 4.970 50 0 FJAARO Clc1ccccc1C[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222629 571010937 /nfs/dbraw/zinc/01/09/37/571010937.db2.gz QWAXLQCDONGIRF-FQEVSTJZSA-N 1 0 351.881 4.752 50 0 FJAARO Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCCC2)cc1 ZINC000027581798 571014511 /nfs/dbraw/zinc/01/45/11/571014511.db2.gz RFUUQFMIJHBOOB-HXUWFJFHSA-N 1 0 356.897 4.605 50 0 FJAARO Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCCC2)cc1 ZINC000027582737 571014644 /nfs/dbraw/zinc/01/46/44/571014644.db2.gz PCNDSLWCGGMEFZ-OAQYLSRUSA-N 1 0 370.924 4.996 50 0 FJAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027742424 571019391 /nfs/dbraw/zinc/01/93/91/571019391.db2.gz NFHNOBOWPGKEFF-ONUXSRJRSA-N 1 0 372.578 4.608 50 0 FJAARO Cc1c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)oc2cc(C)cc(C)c12 ZINC000028289682 571029550 /nfs/dbraw/zinc/02/95/50/571029550.db2.gz CSMGDRKQTQXLKW-LJQANCHMSA-N 1 0 364.489 4.699 50 0 FJAARO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000028296794 571031308 /nfs/dbraw/zinc/03/13/08/571031308.db2.gz ZHNJYJRWQXTHLL-JXXFODFXSA-N 1 0 374.956 4.703 50 0 FJAARO O=C(Nc1nc2ccccc2s1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000028839262 571035188 /nfs/dbraw/zinc/03/51/88/571035188.db2.gz TUFXCTUZHSWYAO-UHFFFAOYSA-N 1 0 351.475 4.535 50 0 FJAARO COc1ccc(NC(=O)c2ccc(C[NH2+][C@@H](C)c3ccccc3)cc2)cc1 ZINC000008324799 571040349 /nfs/dbraw/zinc/04/03/49/571040349.db2.gz OYQJCUUPLQJADO-KRWDZBQOSA-N 1 0 360.457 4.798 50 0 FJAARO C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)c1ccc2ccccc2c1 ZINC000029485709 571040977 /nfs/dbraw/zinc/04/09/77/571040977.db2.gz VDAIFANXYRXOQG-UZUQRXQVSA-N 1 0 358.485 4.636 50 0 FJAARO CC[NH+](CC)Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000030562008 571048188 /nfs/dbraw/zinc/04/81/88/571048188.db2.gz LWVVNFWXZVWTPN-UHFFFAOYSA-N 1 0 372.538 4.680 50 0 FJAARO c1csc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)c1 ZINC000001295232 571048421 /nfs/dbraw/zinc/04/84/21/571048421.db2.gz VWFZCQQRRMZZHW-UHFFFAOYSA-N 1 0 350.491 4.503 50 0 FJAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000030640344 571048490 /nfs/dbraw/zinc/04/84/90/571048490.db2.gz NJGFPCDDSGZJIF-CYBMUJFWSA-N 1 0 361.283 4.648 50 0 FJAARO CC(C)CC[NH2+][C@@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000039143241 571060298 /nfs/dbraw/zinc/06/02/98/571060298.db2.gz AYVXWNDWJXSNJK-AVRDEDQJSA-N 1 0 350.506 4.798 50 0 FJAARO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2ccc(OC)cc2OC)cc1 ZINC000033087189 571062070 /nfs/dbraw/zinc/06/20/70/571062070.db2.gz NKRVKVUCCPRLKK-OAQYLSRUSA-N 1 0 355.478 4.830 50 0 FJAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc2)c1 ZINC000015073530 571065818 /nfs/dbraw/zinc/06/58/18/571065818.db2.gz OGCSYCJABBUENG-LJQANCHMSA-N 1 0 364.489 4.565 50 0 FJAARO CCn1c2ccccc2c2cc(C[N@H+](C)C[C@@H](O)c3ccccc3)ccc21 ZINC000023280021 571070597 /nfs/dbraw/zinc/07/05/97/571070597.db2.gz XETHWDUYPHMOTF-XMMPIXPASA-N 1 0 358.485 4.980 50 0 FJAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1Oc1ccccc1)c1cccs1 ZINC000032970913 571077620 /nfs/dbraw/zinc/07/76/20/571077620.db2.gz XGNYQLIWMGGXIP-GOSISDBHSA-N 1 0 366.486 4.573 50 0 FJAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1Cl ZINC000012772303 571091693 /nfs/dbraw/zinc/09/16/93/571091693.db2.gz KNUKJVWZNJZMQA-INIZCTEOSA-N 1 0 356.897 4.817 50 0 FJAARO Fc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc4ccccc4c3)C2)cc1F ZINC000084605866 571092088 /nfs/dbraw/zinc/09/20/88/571092088.db2.gz SASIKCHGROOHFK-KRWDZBQOSA-N 1 0 352.428 4.734 50 0 FJAARO Clc1ccc(COc2ccc(C[NH2+]C[C@@H]3CCCO3)cc2)cc1Cl ZINC000040722935 571093580 /nfs/dbraw/zinc/09/35/80/571093580.db2.gz WNSQJGUPPTWTJL-KRWDZBQOSA-N 1 0 366.288 4.841 50 0 FJAARO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Br)c1OC(C)C ZINC000040729145 571093673 /nfs/dbraw/zinc/09/36/73/571093673.db2.gz OLHCOFCMHXPNST-UHFFFAOYSA-N 1 0 358.320 4.913 50 0 FJAARO Fc1cccc(Cl)c1COc1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000040722903 571093674 /nfs/dbraw/zinc/09/36/74/571093674.db2.gz CJPOELWRULHRTL-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009057914 571094129 /nfs/dbraw/zinc/09/41/29/571094129.db2.gz KQFYIRWPRQZVJC-UHFFFAOYSA-N 1 0 363.288 4.770 50 0 FJAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000040732749 571094544 /nfs/dbraw/zinc/09/45/44/571094544.db2.gz OFGHLUNRYMOYGV-IBGZPJMESA-N 1 0 374.484 4.863 50 0 FJAARO CCCCCC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000040733054 571094800 /nfs/dbraw/zinc/09/48/00/571094800.db2.gz AGYFPEXHYDSBLR-UHFFFAOYSA-N 1 0 354.494 4.682 50 0 FJAARO CCOc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1cccc(C)c1 ZINC000040736613 571094826 /nfs/dbraw/zinc/09/48/26/571094826.db2.gz AWNBTJMJCPRREA-UHFFFAOYSA-N 1 0 371.521 4.877 50 0 FJAARO OCCC[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040743772 571095877 /nfs/dbraw/zinc/09/58/77/571095877.db2.gz DLAJFBWOILKDKP-UHFFFAOYSA-N 1 0 373.855 4.683 50 0 FJAARO C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040744106 571095924 /nfs/dbraw/zinc/09/59/24/571095924.db2.gz MMLVPUYDCPPHLR-LLVKDONJSA-N 1 0 374.695 4.696 50 0 FJAARO C[C@H](O)C[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040743995 571095974 /nfs/dbraw/zinc/09/59/74/571095974.db2.gz LPQPQHIFQXBALJ-HNNXBMFYSA-N 1 0 355.865 4.543 50 0 FJAARO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1Oc1ccccc1 ZINC000084789072 571100133 /nfs/dbraw/zinc/10/01/33/571100133.db2.gz AZUYNDCVZMVUKI-MSOLQXFVSA-N 1 0 365.477 4.569 50 0 FJAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cc(C2CCCCC2)no1 ZINC000244734787 571115776 /nfs/dbraw/zinc/11/57/76/571115776.db2.gz NLVXMIJAKQRKJI-IBGZPJMESA-N 1 0 356.514 4.672 50 0 FJAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000009750869 571118637 /nfs/dbraw/zinc/11/86/37/571118637.db2.gz QQCXTGJUQOEDBC-OAHLLOKOSA-N 1 0 368.264 4.545 50 0 FJAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000009992060 571122040 /nfs/dbraw/zinc/12/20/40/571122040.db2.gz PFYSYAITZPMACG-UHFFFAOYSA-N 1 0 363.288 4.519 50 0 FJAARO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000010139765 571123087 /nfs/dbraw/zinc/12/30/87/571123087.db2.gz UESPBOZZPJIUEC-UHFFFAOYSA-N 1 0 361.489 4.603 50 0 FJAARO COCCC[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000247903918 571126127 /nfs/dbraw/zinc/12/61/27/571126127.db2.gz WLXWCQNCJOTXQI-UHFFFAOYSA-N 1 0 360.860 4.608 50 0 FJAARO Cc1cccc(Cn2cc(C[NH2+]CCOc3ccccn3)c3ccccc32)c1 ZINC000247892897 571126234 /nfs/dbraw/zinc/12/62/34/571126234.db2.gz GJXXIXLDNDDTLU-UHFFFAOYSA-N 1 0 371.484 4.562 50 0 FJAARO Cc1ccc(Cn2cc(C[NH2+]C[C@H](O)c3ccccc3)c3ccccc32)cc1 ZINC000248128705 571127720 /nfs/dbraw/zinc/12/77/20/571127720.db2.gz XTDMFWSWQIBCSQ-VWLOTQADSA-N 1 0 370.496 4.821 50 0 FJAARO Cc1ccc(Cn2nc(C[NH2+]C3CCCCC3)c(-c3ccccc3)n2)cc1 ZINC000248114677 571127890 /nfs/dbraw/zinc/12/78/90/571127890.db2.gz RVWKHMJDAOTNML-UHFFFAOYSA-N 1 0 360.505 4.724 50 0 FJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccccc1-c1ccccc1 ZINC000015831725 571130853 /nfs/dbraw/zinc/13/08/53/571130853.db2.gz PMUFAZGDGRXHMD-SFHVURJKSA-N 1 0 351.494 4.740 50 0 FJAARO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1OC ZINC000015836959 571134743 /nfs/dbraw/zinc/13/47/43/571134743.db2.gz NHOBITROWPWUTE-HXUWFJFHSA-N 1 0 355.478 4.830 50 0 FJAARO CC(C)OCCC[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000253373317 571135396 /nfs/dbraw/zinc/13/53/96/571135396.db2.gz ILHJRDFHYNZYRE-UHFFFAOYSA-N 1 0 354.469 4.733 50 0 FJAARO Clc1ccccc1Cn1nc(C[NH2+]C2CCCC2)c(-c2ccccc2)n1 ZINC000253493586 571136121 /nfs/dbraw/zinc/13/61/21/571136121.db2.gz URLGSZZJMCAEOW-UHFFFAOYSA-N 1 0 366.896 4.679 50 0 FJAARO Cc1ccccc1C(OC[C@@H](O)C[N@H+]1CCCC[C@H]1C)c1ccccc1C ZINC000253636208 571139708 /nfs/dbraw/zinc/13/97/08/571139708.db2.gz QHNFFQDJTAIQCO-RTWAWAEBSA-N 1 0 367.533 4.645 50 0 FJAARO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1 ZINC000078265923 571141138 /nfs/dbraw/zinc/14/11/38/571141138.db2.gz NWMLNMAZGPQPMX-MRXNPFEDSA-N 1 0 373.338 4.764 50 0 FJAARO O[C@H](C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 ZINC000016480520 571141989 /nfs/dbraw/zinc/14/19/89/571141989.db2.gz LHAOGTINIFJFKH-OAQYLSRUSA-N 1 0 367.876 4.742 50 0 FJAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc(Cl)nc1)C1CCCCC1 ZINC000026129369 571146700 /nfs/dbraw/zinc/14/67/00/571146700.db2.gz MCYZLFCXYMZNQG-UHFFFAOYSA-N 1 0 357.885 4.752 50 0 FJAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000520462392 571147173 /nfs/dbraw/zinc/14/71/73/571147173.db2.gz NOHNYFLGJVMVOQ-QGZVFWFLSA-N 1 0 357.910 4.981 50 0 FJAARO O=C(NC1CC1)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739901 571147315 /nfs/dbraw/zinc/14/73/15/571147315.db2.gz MCSJNHLWWGWDSR-WIYYLYMNSA-N 1 0 368.908 4.572 50 0 FJAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2c(CC)cccc2CC)CC1 ZINC000004683318 571159896 /nfs/dbraw/zinc/15/98/96/571159896.db2.gz RBYTXKJXOVNTPL-UHFFFAOYSA-N 1 0 361.599 4.705 50 0 FJAARO CCC[N@@H+]1CCc2[nH]c3ccc(NC(=O)Nc4ccc(F)cc4)cc3c2C1 ZINC000075344374 571161688 /nfs/dbraw/zinc/16/16/88/571161688.db2.gz KALPGNDSCLTLST-UHFFFAOYSA-N 1 0 366.440 4.719 50 0 FJAARO Cc1cc(C)cc(NC(=O)[C@H]([NH2+]CCc2cccs2)c2ccccc2)c1 ZINC000035351434 571167234 /nfs/dbraw/zinc/16/72/34/571167234.db2.gz LGDZVGYDBZHSHV-OAQYLSRUSA-N 1 0 364.514 4.877 50 0 FJAARO CC(C)Cn1cncc1C[N@@H+]1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000072139013 571171705 /nfs/dbraw/zinc/17/17/05/571171705.db2.gz YMMOVGSNNMBBSB-QGZVFWFLSA-N 1 0 361.480 4.662 50 0 FJAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)s1)c1csc2ccccc21 ZINC000575621397 571173385 /nfs/dbraw/zinc/17/33/85/571173385.db2.gz NXSVVHWCUDGWGT-ZDUSSCGKSA-N 1 0 364.923 4.649 50 0 FJAARO COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H]2c2ccccn2)s1 ZINC000072162626 571176148 /nfs/dbraw/zinc/17/61/48/571176148.db2.gz FWTDAONVKRWIMG-GOSISDBHSA-N 1 0 351.475 4.551 50 0 FJAARO CC(=O)c1cc(CN2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072163386 571176156 /nfs/dbraw/zinc/17/61/56/571176156.db2.gz DQQRSJMSPKVXOE-FQEVSTJZSA-N 1 0 356.535 4.740 50 0 FJAARO CCCCc1nc2ccccc2c(NC(=O)C[NH+](CC)CC)c1CCC ZINC000006351876 571182517 /nfs/dbraw/zinc/18/25/17/571182517.db2.gz ZMCZDXYYRSXHPV-UHFFFAOYSA-N 1 0 355.526 4.810 50 0 FJAARO Cc1occc1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000012988087 571185036 /nfs/dbraw/zinc/18/50/36/571185036.db2.gz LJCUTEQSZNXYQB-UHFFFAOYSA-N 1 0 374.484 4.781 50 0 FJAARO C[C@H]([NH2+]C1CCC(O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000090799985 571188999 /nfs/dbraw/zinc/18/89/99/571188999.db2.gz TUZAINVKHTTYJS-SQNUNTJVSA-N 1 0 355.322 4.678 50 0 FJAARO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000012603175 571190132 /nfs/dbraw/zinc/19/01/32/571190132.db2.gz DTMDQGQIAKLKNM-DEOSSOPVSA-N 1 0 359.469 4.852 50 0 FJAARO Cc1cc2[nH]c(C(=O)Nc3ccc(Cl)cc3C)c(C[NH+](C)C)c2s1 ZINC000075487947 571190561 /nfs/dbraw/zinc/19/05/61/571190561.db2.gz LVUAXNQVQMUWRM-UHFFFAOYSA-N 1 0 361.898 4.814 50 0 FJAARO COC[C@H]1CC[N@H+](Cc2cc3cc(C)ccc3nc2-c2ccc(F)cc2)C1 ZINC000072431027 571195576 /nfs/dbraw/zinc/19/55/76/571195576.db2.gz ZHXYFHYZEXZOAS-KRWDZBQOSA-N 1 0 364.464 4.818 50 0 FJAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc3ncccc32)cc1 ZINC000299786540 571199599 /nfs/dbraw/zinc/19/95/99/571199599.db2.gz MYVWAZLLZYHWBE-QFIPXVFZSA-N 1 0 374.488 4.665 50 0 FJAARO COc1ccc(C[NH2+]CC[C@@H](c2ccco2)c2ccccc2OC)cc1 ZINC000002106832 571203667 /nfs/dbraw/zinc/20/36/67/571203667.db2.gz UNWNWIIYCPDJPJ-HXUWFJFHSA-N 1 0 351.446 4.609 50 0 FJAARO CCCc1nc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000077299258 571206691 /nfs/dbraw/zinc/20/66/91/571206691.db2.gz AGCJMHYJQNPZME-LJQANCHMSA-N 1 0 371.550 4.525 50 0 FJAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COc2ccccc2C)s1 ZINC000036101662 571241857 /nfs/dbraw/zinc/24/18/57/571241857.db2.gz KBWKYIYRXYMCFG-LJQANCHMSA-N 1 0 361.551 4.653 50 0 FJAARO CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)[C@@H](C)c1cccc(OC)c1 ZINC000036392976 571252796 /nfs/dbraw/zinc/25/27/96/571252796.db2.gz CKFRHJHSNKIGLB-SFHVURJKSA-N 1 0 354.494 4.642 50 0 FJAARO Cc1ccc2nc(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)cn2c1 ZINC000007488219 571266141 /nfs/dbraw/zinc/26/61/41/571266141.db2.gz GVZJBTLIRXJQQF-INIZCTEOSA-N 1 0 362.502 4.632 50 0 FJAARO CCC(CC)([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(Cl)cc1 ZINC000076017841 571273664 /nfs/dbraw/zinc/27/36/64/571273664.db2.gz ZRTURRGNHVKAMW-UHFFFAOYSA-N 1 0 358.917 4.535 50 0 FJAARO COc1cc(C)c(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1C ZINC000022860402 571308344 /nfs/dbraw/zinc/30/83/44/571308344.db2.gz LPDWVKCSVCIFOF-GMAHTHKFSA-N 1 0 356.554 4.541 50 0 FJAARO O[C@](C[NH2+]Cc1ccc(Cl)cc1)(c1ccccc1)c1ccc(F)cc1 ZINC000020365946 571328897 /nfs/dbraw/zinc/32/88/97/571328897.db2.gz TXZHGHRBIZLEKV-OAQYLSRUSA-N 1 0 355.840 4.505 50 0 FJAARO CC[N@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000095467795 571330536 /nfs/dbraw/zinc/33/05/36/571330536.db2.gz KWGVUQWDRSRWOQ-UHFFFAOYSA-N 1 0 350.934 4.589 50 0 FJAARO Brc1cccc(C[NH2+]Cc2cccc(-c3ccncc3)c2)c1 ZINC000095962429 571333149 /nfs/dbraw/zinc/33/31/49/571333149.db2.gz BFMMYMRONFXDEX-UHFFFAOYSA-N 1 0 353.263 4.801 50 0 FJAARO C[C@@H]1C[C@@H](C)C[NH+](CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C1 ZINC000021718110 571335898 /nfs/dbraw/zinc/33/58/98/571335898.db2.gz VXRJQTCYAJZLTR-HZPDHXFCSA-N 1 0 363.933 4.562 50 0 FJAARO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000028294869 571338974 /nfs/dbraw/zinc/33/89/74/571338974.db2.gz JGCAIASWQIIKJJ-SFHVURJKSA-N 1 0 370.880 4.736 50 0 FJAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000057477905 571343581 /nfs/dbraw/zinc/34/35/81/571343581.db2.gz DJNVKUNJTSLYIZ-OAQYLSRUSA-N 1 0 363.457 4.756 50 0 FJAARO Cc1cccc(NC(=S)N2CCC([N@@H+](C)C3CCCCCC3)CC2)c1 ZINC000003061041 571344476 /nfs/dbraw/zinc/34/44/76/571344476.db2.gz XRUZYXKQCXVXAG-UHFFFAOYSA-N 1 0 359.583 4.811 50 0 FJAARO Cc1sc2nc(CSc3ccccc3)nc(NCC[NH+](C)C)c2c1C ZINC000003491041 571350295 /nfs/dbraw/zinc/35/02/95/571350295.db2.gz OQRODWLIUBNBSG-UHFFFAOYSA-N 1 0 372.563 4.574 50 0 FJAARO Cc1cccc(NC(=S)N(CCC[NH+]2CCCCC2)Cc2ccco2)c1 ZINC000003665492 571352161 /nfs/dbraw/zinc/35/21/61/571352161.db2.gz LYQXKOCSBOAZNV-UHFFFAOYSA-N 1 0 371.550 4.663 50 0 FJAARO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(-c3ccccc3Cl)c1)C2 ZINC000299783798 529810138 /nfs/dbraw/zinc/81/01/38/529810138.db2.gz VDKVKYOMSAXSFR-QFIPXVFZSA-N 1 0 368.908 4.565 50 0 FJAARO O[C@H](c1ccc(Br)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000001241347 219392221 /nfs/dbraw/zinc/39/22/21/219392221.db2.gz QRMKWWYZRHOYBC-WOJBJXKFSA-N 1 0 374.322 4.752 50 0 FJAARO Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000002192237 219430588 /nfs/dbraw/zinc/43/05/88/219430588.db2.gz NGINITOKUQXUHX-CQSZACIVSA-N 1 0 352.400 4.863 50 0 FJAARO COc1ccccc1[C@@]1(CC[NH2+]Cc2ccco2)CCO[C@H](C(C)C)C1 ZINC000004043408 219536130 /nfs/dbraw/zinc/53/61/30/219536130.db2.gz RRBSQXXIPSHAEE-VXKWHMMOSA-N 1 0 357.494 4.541 50 0 FJAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCCOc1ccccn1 ZINC000113396625 209336635 /nfs/dbraw/zinc/33/66/35/209336635.db2.gz LWBPRQNPFNZNOM-UHFFFAOYSA-N 1 0 369.292 4.736 50 0 FJAARO COc1ccc(-c2ccc(C[NH2+]CCCOc3ccccn3)o2)cc1Cl ZINC000113396902 209335795 /nfs/dbraw/zinc/33/57/95/209335795.db2.gz OYVISEMECWNSBE-UHFFFAOYSA-N 1 0 372.852 4.562 50 0 FJAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000113398956 209335920 /nfs/dbraw/zinc/33/59/20/209335920.db2.gz ODZMOKGVLJNWKZ-UHFFFAOYSA-N 1 0 364.276 4.601 50 0 FJAARO C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)CC1CCCCC1 ZINC000048324050 209331275 /nfs/dbraw/zinc/33/12/75/209331275.db2.gz AOEKRLODWQLNAK-UHFFFAOYSA-N 1 0 373.722 4.553 50 0 FJAARO CC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1 ZINC000012572099 220007864 /nfs/dbraw/zinc/00/78/64/220007864.db2.gz HYOJDFKTIFXSFW-ZDUSSCGKSA-N 1 0 369.415 4.512 50 0 FJAARO CC(C)CC[NH+]1CCC(C(=O)Nc2cccc(-c3cscn3)c2)CC1 ZINC000012587589 220011056 /nfs/dbraw/zinc/01/10/56/220011056.db2.gz UUWPVMFNOYZRMJ-UHFFFAOYSA-N 1 0 357.523 4.507 50 0 FJAARO C[N@@H+]1CCCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)CC1 ZINC000012771402 220028547 /nfs/dbraw/zinc/02/85/47/220028547.db2.gz QBHUUWJUOQLXEL-UHFFFAOYSA-N 1 0 374.513 4.653 50 0 FJAARO C[C@@H]([NH2+]Cc1cccs1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012739481 220023610 /nfs/dbraw/zinc/02/36/10/220023610.db2.gz VNCYFFCZTQQDOM-GFCCVEGCSA-N 1 0 367.499 4.564 50 0 FJAARO Cc1c([C@H](C)[NH2+]Cc2cc(C)c(O)c(C)c2)cnn1-c1ccc(F)cc1F ZINC000012744669 220024015 /nfs/dbraw/zinc/02/40/15/220024015.db2.gz LMOBDLAWICDMEB-AWEZNQCLSA-N 1 0 371.431 4.632 50 0 FJAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000012752999 220024592 /nfs/dbraw/zinc/02/45/92/220024592.db2.gz HVQNKBXJZPXEKS-UHFFFAOYSA-N 1 0 363.288 4.519 50 0 FJAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](CC2CC2)CC1 ZINC000012836802 220034536 /nfs/dbraw/zinc/03/45/36/220034536.db2.gz ZCYOYJOQBHTKNZ-UHFFFAOYSA-N 1 0 368.452 4.679 50 0 FJAARO CCc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccc(OC)cc3)cc(=O)oc2c1 ZINC000012810538 220032418 /nfs/dbraw/zinc/03/24/18/220032418.db2.gz RCCSXDKXWUCIDZ-OAQYLSRUSA-N 1 0 363.457 4.701 50 0 FJAARO COc1ccccc1[C@H](C)[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000012945612 220046051 /nfs/dbraw/zinc/04/60/51/220046051.db2.gz CFYXXMHHWFMBJC-KRWDZBQOSA-N 1 0 363.505 4.716 50 0 FJAARO Cc1sc2[nH]c([C@@H](C)[NH2+][C@H](C)c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000014137087 220110033 /nfs/dbraw/zinc/11/00/33/220110033.db2.gz BQKLUWSPPHHPNO-GHMZBOCLSA-N 1 0 361.898 4.667 50 0 FJAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1cccc2ccccc21 ZINC000014199587 220116122 /nfs/dbraw/zinc/11/61/22/220116122.db2.gz LZMUDVOCMPRXOH-IBGZPJMESA-N 1 0 365.502 4.860 50 0 FJAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000015679746 220160869 /nfs/dbraw/zinc/16/08/69/220160869.db2.gz KSOQADZEYIHMIZ-UHFFFAOYSA-N 1 0 371.550 4.883 50 0 FJAARO CC(C)C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000015862296 220170063 /nfs/dbraw/zinc/17/00/63/220170063.db2.gz GNQHHIIZDAXSQG-UHFFFAOYSA-N 1 0 372.871 4.979 50 0 FJAARO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]C1CC1 ZINC000016449931 220184739 /nfs/dbraw/zinc/18/47/39/220184739.db2.gz WHDIIKHPYMCISX-UHFFFAOYSA-N 1 0 366.686 4.934 50 0 FJAARO Clc1ccc(COc2ccccc2C[NH2+]C[C@H]2CCCO2)c(Cl)c1 ZINC000016449642 220184759 /nfs/dbraw/zinc/18/47/59/220184759.db2.gz GTSGGSPWRRWKPS-QGZVFWFLSA-N 1 0 366.288 4.841 50 0 FJAARO O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)c1cccc2ccccc21 ZINC000016995468 220200404 /nfs/dbraw/zinc/20/04/04/220200404.db2.gz GNAOSWZHHUFWSF-UHFFFAOYSA-N 1 0 371.435 4.564 50 0 FJAARO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCCC[C@H]3C)c2)cc1 ZINC000017311182 220213998 /nfs/dbraw/zinc/21/39/98/220213998.db2.gz ZSIAIRUKTYEKAC-IERDGZPVSA-N 1 0 352.478 4.616 50 0 FJAARO CC[NH+](CC)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000786498 206831528 /nfs/dbraw/zinc/83/15/28/206831528.db2.gz DKJKCAUMSQTYMP-OAHLLOKOSA-N 1 0 365.304 4.804 50 0 FJAARO C[NH+](C)CC[C@H](OC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 ZINC000002263544 206906701 /nfs/dbraw/zinc/90/67/01/206906701.db2.gz QQQXFWAXWQGHDM-NRFANRHFSA-N 1 0 351.490 4.735 50 0 FJAARO CCOc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2SCC3)cc1 ZINC000003285190 206966685 /nfs/dbraw/zinc/96/66/85/206966685.db2.gz HQUYMWZHIOKIES-UHFFFAOYSA-N 1 0 357.886 4.590 50 0 FJAARO CC(C)(C)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000004299481 207010683 /nfs/dbraw/zinc/01/06/83/207010683.db2.gz BFKVJFVQDQAFJE-UHFFFAOYSA-N 1 0 365.521 4.724 50 0 FJAARO CCCOc1ccc([C@](O)(CC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004525380 207025099 /nfs/dbraw/zinc/02/50/99/207025099.db2.gz IMIOSFKKPDWRDY-QHCPKHFHSA-N 1 0 353.506 4.587 50 0 FJAARO Cc1ccc(C)c(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000004668279 207035702 /nfs/dbraw/zinc/03/57/02/207035702.db2.gz VOALHWNWJTWPEC-RXVVDRJESA-N 1 0 373.610 4.975 50 0 FJAARO CCc1ccc(CNc2[nH+]cc(-c3ccc(F)cc3)n2CCOC)cc1 ZINC000004679281 207037131 /nfs/dbraw/zinc/03/71/31/207037131.db2.gz GBJBSOWDUCHUIZ-UHFFFAOYSA-N 1 0 353.441 4.510 50 0 FJAARO CC1(C)CC(NC(=S)Nc2ccc(Cl)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000004679006 207037424 /nfs/dbraw/zinc/03/74/24/207037424.db2.gz JOSXSHDNNUJDIN-UHFFFAOYSA-N 1 0 360.354 4.589 50 0 FJAARO C[N@H+](CCOC(=O)C1c2ccccc2Oc2ccccc21)Cc1ccccc1 ZINC000005024871 207072636 /nfs/dbraw/zinc/07/26/36/207072636.db2.gz MGNXOFMGVRORBB-UHFFFAOYSA-N 1 0 373.452 4.599 50 0 FJAARO COc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCc1cccnc1 ZINC000004999720 207070832 /nfs/dbraw/zinc/07/08/32/207070832.db2.gz FTWPJVFKZSTOEQ-UHFFFAOYSA-N 1 0 374.893 4.674 50 0 FJAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccc(C)cc1 ZINC000005019833 207071873 /nfs/dbraw/zinc/07/18/73/207071873.db2.gz JRGYFMUZWYQQAB-UHFFFAOYSA-N 1 0 353.487 4.934 50 0 FJAARO CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3Cl)c(=[NH2+])oc2c1 ZINC000005127521 207083864 /nfs/dbraw/zinc/08/38/64/207083864.db2.gz VNECBINHMUSKJM-UHFFFAOYSA-N 1 0 369.852 4.664 50 0 FJAARO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2F)cc1 ZINC000005254869 207090533 /nfs/dbraw/zinc/09/05/33/207090533.db2.gz WGYUNJBUDLXZGQ-MZYLBHOOSA-N 1 0 369.480 4.703 50 0 FJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2CC ZINC000006912698 207177719 /nfs/dbraw/zinc/17/77/19/207177719.db2.gz TXFUVYDUOHOUDL-FQEVSTJZSA-N 1 0 369.553 4.662 50 0 FJAARO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006859421 207172407 /nfs/dbraw/zinc/17/24/07/207172407.db2.gz YDVGBLILESFJHW-YVEFUNNKSA-N 1 0 363.288 4.988 50 0 FJAARO COc1cc(C[NH2+]C2CCCCCCC2)cc(Br)c1OC ZINC000007523469 207198022 /nfs/dbraw/zinc/19/80/22/207198022.db2.gz VUSGVQIDCWXDSP-UHFFFAOYSA-N 1 0 356.304 4.669 50 0 FJAARO CCCCCC[NH2+]Cc1cc(Br)c(OCC)c(OCC)c1 ZINC000007260959 207192503 /nfs/dbraw/zinc/19/25/03/207192503.db2.gz JLEIHCTYPYLIOE-UHFFFAOYSA-N 1 0 358.320 4.916 50 0 FJAARO COc1ccc2cc(C[NH2+][C@H](C)c3ccc(-n4ccnc4)cc3)ccc2c1 ZINC000007984350 207214667 /nfs/dbraw/zinc/21/46/67/207214667.db2.gz NGCXNTIJDDFEPB-QGZVFWFLSA-N 1 0 357.457 4.885 50 0 FJAARO CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008227211 207224887 /nfs/dbraw/zinc/22/48/87/207224887.db2.gz ORVDFXFQIBURPI-UHFFFAOYSA-N 1 0 354.675 4.791 50 0 in-vivo FJAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000009942402 207290198 /nfs/dbraw/zinc/29/01/98/207290198.db2.gz WHHMJIONZDYBBW-UHFFFAOYSA-N 1 0 370.541 4.807 50 0 FJAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000011820758 207324815 /nfs/dbraw/zinc/32/48/15/207324815.db2.gz BAASLYUZRXOHEG-IBGZPJMESA-N 1 0 364.876 4.983 50 0 FJAARO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000012090594 207336696 /nfs/dbraw/zinc/33/66/96/207336696.db2.gz QJGNPEYLTKTDEP-IBGZPJMESA-N 1 0 367.464 4.566 50 0 FJAARO CSC[C@@H](C)[NH+]1CCC(CCC(=O)Nc2ccccc2Cl)CC1 ZINC000012385833 207367878 /nfs/dbraw/zinc/36/78/78/207367878.db2.gz VZZRQVYHPTUWFU-CQSZACIVSA-N 1 0 354.947 4.522 50 0 FJAARO COc1cccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1 ZINC000012432816 207375964 /nfs/dbraw/zinc/37/59/64/207375964.db2.gz MBBLBSGLARPTMP-QFIPXVFZSA-N 1 0 361.489 4.665 50 0 FJAARO COc1ccccc1-[n+]1c(-c2ccccc2)cn2c1CCc1ccccc1-2 ZINC000012524715 207384866 /nfs/dbraw/zinc/38/48/66/207384866.db2.gz WYYJSVREMNWIRS-UHFFFAOYSA-N 1 0 353.445 4.528 50 0 FJAARO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC3=CCCCC3)c2)cc1 ZINC000012772765 207418771 /nfs/dbraw/zinc/41/87/71/207418771.db2.gz QVDLAMXZIATBKS-UHFFFAOYSA-N 1 0 364.489 4.928 50 0 FJAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1cccc(Br)c1 ZINC000013325246 207458088 /nfs/dbraw/zinc/45/80/88/207458088.db2.gz RBMVXLHDIUUIHQ-UHFFFAOYSA-N 1 0 374.282 4.689 50 0 FJAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)Cc1cccc(Cl)c1 ZINC000040069042 207953908 /nfs/dbraw/zinc/95/39/08/207953908.db2.gz LIDDQJRGJBEAQN-UHFFFAOYSA-N 1 0 373.928 4.523 50 0 FJAARO C[N@H+](Cc1ccccc1NC(=O)Cc1ccccc1F)C1CCCCC1 ZINC000032903620 208055025 /nfs/dbraw/zinc/05/50/25/208055025.db2.gz QPKQXGOVMZYXGZ-UHFFFAOYSA-N 1 0 354.469 4.771 50 0 FJAARO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2)c1 ZINC000033040087 208068687 /nfs/dbraw/zinc/06/86/87/208068687.db2.gz DFSUTMWSMXJEAI-HOTGVXAUSA-N 1 0 360.457 4.720 50 0 FJAARO Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000034682640 208106059 /nfs/dbraw/zinc/10/60/59/208106059.db2.gz IXRCNJCEAZUBHS-UHFFFAOYSA-N 1 0 368.496 4.901 50 0 FJAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)s1 ZINC000036101542 208146745 /nfs/dbraw/zinc/14/67/45/208146745.db2.gz XQSZKPBIWCDYCT-OAQYLSRUSA-N 1 0 369.505 4.801 50 0 FJAARO COc1cccc(C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000039979585 208216443 /nfs/dbraw/zinc/21/64/43/208216443.db2.gz ILZYZCRFBPTVNP-UHFFFAOYSA-N 1 0 356.469 4.988 50 0 FJAARO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)C1 ZINC000040107913 208229474 /nfs/dbraw/zinc/22/94/74/208229474.db2.gz TYTYBJKISNHCPL-SFHVURJKSA-N 1 0 364.489 4.520 50 0 FJAARO Fc1cccc(Cl)c1COc1cccc(C[NH2+]Cc2ccncc2)c1 ZINC000040738758 208265987 /nfs/dbraw/zinc/26/59/87/208265987.db2.gz MLGIOZXMLFNQBQ-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO Clc1cccc(Cl)c1COc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000040722745 208266741 /nfs/dbraw/zinc/26/67/41/208266741.db2.gz QBSLFUZLYAKZCM-INIZCTEOSA-N 1 0 366.288 4.841 50 0 FJAARO OCCCCC[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040738923 208266854 /nfs/dbraw/zinc/26/68/54/208266854.db2.gz CECJPOPZTZTFGA-UHFFFAOYSA-N 1 0 368.304 4.825 50 0 FJAARO C[C@H](O)C[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040743991 208268605 /nfs/dbraw/zinc/26/86/05/208268605.db2.gz WVRSQOWJOIDSSF-AWEZNQCLSA-N 1 0 373.855 4.682 50 0 FJAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]Cc1ccncc1 ZINC000040743022 208268821 /nfs/dbraw/zinc/26/88/21/208268821.db2.gz PGURQBPGBHILEB-UHFFFAOYSA-N 1 0 352.865 4.912 50 0 FJAARO COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 ZINC000042995839 208297565 /nfs/dbraw/zinc/29/75/65/208297565.db2.gz LTIIYDXCTSIEAB-GOSISDBHSA-N 1 0 365.452 4.604 50 0 FJAARO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc2cnccc21)c1ccsc1 ZINC000043161606 208303434 /nfs/dbraw/zinc/30/34/34/208303434.db2.gz MNKBUTLAFMZVPQ-LJQANCHMSA-N 1 0 368.506 4.501 50 0 FJAARO c1ccc(-c2ccc(-c3n[nH]c4c3C[N@H+]([C@H]3CCSC3)CC4)cc2)cc1 ZINC000019782049 220296244 /nfs/dbraw/zinc/29/62/44/220296244.db2.gz UPFVSNIYMCQBOE-IBGZPJMESA-N 1 0 361.514 4.607 50 0 FJAARO C[NH2+]Cc1cc(Br)ccc1OCc1c(F)cccc1Cl ZINC000019777206 220296275 /nfs/dbraw/zinc/29/62/75/220296275.db2.gz GNQGKXBISQIEFS-UHFFFAOYSA-N 1 0 358.638 4.540 50 0 FJAARO CCOc1c(Cl)cc(C[NH2+]CCc2ccc(OC)cc2)cc1Cl ZINC000020476795 220327718 /nfs/dbraw/zinc/32/77/18/220327718.db2.gz OISCFCJGGVFTRL-UHFFFAOYSA-N 1 0 354.277 4.733 50 0 FJAARO CCOc1cc2c(cc1OCC)[C@H](c1cccc(C(F)(F)F)c1)[NH2+]CC2 ZINC000020506870 220331041 /nfs/dbraw/zinc/33/10/41/220331041.db2.gz GIAAWMMXZKYCJX-IBGZPJMESA-N 1 0 365.395 4.738 50 0 FJAARO CCCOc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)cc1 ZINC000021170836 220354271 /nfs/dbraw/zinc/35/42/71/220354271.db2.gz BLRLMIHADJKURY-NRFANRHFSA-N 1 0 372.553 4.736 50 0 FJAARO COc1ccc([C@](O)(CC(C)C)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000021169943 220354967 /nfs/dbraw/zinc/35/49/67/220354967.db2.gz DIYLIMPGTSFMFT-DNQXCXABSA-N 1 0 367.533 4.809 50 0 FJAARO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1cn(CC)c2ccc(OC)cc12 ZINC000021720731 220364619 /nfs/dbraw/zinc/36/46/19/220364619.db2.gz VSVNNVRNEYPFIP-FQEVSTJZSA-N 1 0 367.493 4.866 50 0 FJAARO Cc1cc(C)cc(NC(=O)N2CCC(C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000021718145 220365051 /nfs/dbraw/zinc/36/50/51/220365051.db2.gz AMZDFHSRXLWABB-KDURUIRLSA-N 1 0 357.542 4.525 50 0 FJAARO COc1cc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)ccc1OCC(C)C ZINC000021720325 220365119 /nfs/dbraw/zinc/36/51/19/220365119.db2.gz TUEQPMSEVDXHLM-SFHVURJKSA-N 1 0 358.482 4.672 50 0 FJAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(OC)cc1 ZINC000022074758 220377058 /nfs/dbraw/zinc/37/70/58/220377058.db2.gz IOPODUUJRSMORP-UHFFFAOYSA-N 1 0 354.277 4.733 50 0 FJAARO C[C@@H]([NH2+]Cc1ccc(OCc2cccs2)cc1)[C@@H](O)c1ccccc1 ZINC000022076407 220377076 /nfs/dbraw/zinc/37/70/76/220377076.db2.gz AHZFATVSQZPAEZ-IIBYNOLFSA-N 1 0 353.487 4.539 50 0 FJAARO COc1ccc(CC[NH2+]Cc2ccc(-c3cccc(Cl)c3)o2)cc1OC ZINC000022076581 220377371 /nfs/dbraw/zinc/37/73/71/220377371.db2.gz WKRKDBTZLHNWCW-UHFFFAOYSA-N 1 0 371.864 4.950 50 0 FJAARO CC[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000022619737 220392396 /nfs/dbraw/zinc/39/23/96/220392396.db2.gz VPRVWFIOXRTXLG-GHTZIAJQSA-N 1 0 370.924 4.787 50 0 FJAARO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000022776721 220398505 /nfs/dbraw/zinc/39/85/05/220398505.db2.gz JTPANBOUNKKHGC-NSHDSACASA-N 1 0 370.276 4.870 50 0 FJAARO COc1ccc(C[NH2+][C@H](C)c2cccc3ccccc32)c(OC)c1OC ZINC000022787617 220399404 /nfs/dbraw/zinc/39/94/04/220399404.db2.gz BAUJPPFCHJFDJY-OAHLLOKOSA-N 1 0 351.446 4.716 50 0 FJAARO Cc1cccc2sc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c(Cl)c21 ZINC000032906820 220694380 /nfs/dbraw/zinc/69/43/80/220694380.db2.gz PFNVXLSZQZEUSZ-OAHLLOKOSA-N 1 0 372.921 4.896 50 0 FJAARO Cc1c(C)n(Cc2ccccn2)c2[nH+]c(C)c(Cc3ccccc3)c(N)c12 ZINC000040267960 220898790 /nfs/dbraw/zinc/89/87/90/220898790.db2.gz NBJARYKWZUMCOL-UHFFFAOYSA-N 1 0 356.473 4.578 50 0 FJAARO COc1ccccc1CC[NH2+]Cc1ccc(OCc2cccc(C)c2)cc1 ZINC000040722658 220918601 /nfs/dbraw/zinc/91/86/01/220918601.db2.gz JAIZJPHLLNEHTG-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO CC(C)(c1ccccc1)c1ccc(O[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774860 220942015 /nfs/dbraw/zinc/94/20/15/220942015.db2.gz UDKDYAHSQWCJOQ-QGZVFWFLSA-N 1 0 374.322 4.906 50 0 FJAARO COc1ccccc1[C@@H](CNc1nc2ccccc2s1)[NH+]1CCCC1 ZINC000048362052 221010312 /nfs/dbraw/zinc/01/03/12/221010312.db2.gz YYEATJYYWUVKOR-QGZVFWFLSA-N 1 0 353.491 4.554 50 0 FJAARO CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000056597137 221080907 /nfs/dbraw/zinc/08/09/07/221080907.db2.gz PDNYOUGCQZUABU-QGZVFWFLSA-N 1 0 371.525 4.646 50 0 FJAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2cccs2)c2ccccc2)cc1 ZINC000057470803 221089291 /nfs/dbraw/zinc/08/92/91/221089291.db2.gz DTCOOPGRQHHQRT-UZLBHIALSA-N 1 0 350.487 4.763 50 0 FJAARO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](c2cccs2)c2ccccc2)c1 ZINC000057508880 221090693 /nfs/dbraw/zinc/09/06/93/221090693.db2.gz MCSDSTUYZNWAHN-UZLBHIALSA-N 1 0 350.487 4.763 50 0 FJAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CC)c2ccccc2C)cc1 ZINC000058029508 221097719 /nfs/dbraw/zinc/09/77/19/221097719.db2.gz VOPCRLRZMJNYFB-JOCHJYFZSA-N 1 0 366.505 4.584 50 0 FJAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)CC(C)C ZINC000058828348 221124018 /nfs/dbraw/zinc/12/40/18/221124018.db2.gz YTKDVRJNNFTUBQ-CQSZACIVSA-N 1 0 359.436 4.583 50 0 FJAARO C[C@@H](c1ccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)cc1)[NH+](C)C ZINC000067755749 221281678 /nfs/dbraw/zinc/28/16/78/221281678.db2.gz IUJXTCJEMVXBIC-KRWDZBQOSA-N 1 0 371.488 4.611 50 0 FJAARO C[C@@H](c1cccs1)[N@H+](C)Cc1cccc(C(=O)Nc2ccncc2F)c1 ZINC000067867524 221297091 /nfs/dbraw/zinc/29/70/91/221297091.db2.gz RICKMYFOEPKRGH-AWEZNQCLSA-N 1 0 369.465 4.728 50 0 FJAARO c1csc([C@@H](CNc2ncnc3c4ccccc4oc32)[NH+]2CCCC2)c1 ZINC000068836730 221319457 /nfs/dbraw/zinc/31/94/57/221319457.db2.gz DBLUETNCWBUBGL-OAHLLOKOSA-N 1 0 364.474 4.687 50 0 FJAARO Cc1ccc(C2(O)CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)nc1 ZINC000071315023 221341217 /nfs/dbraw/zinc/34/12/17/221341217.db2.gz SRVSPKRHVYVPPJ-UHFFFAOYSA-N 1 0 374.484 4.666 50 0 FJAARO CC[C@](O)(c1cccc(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071769310 221373805 /nfs/dbraw/zinc/37/38/05/221373805.db2.gz OKARETPOLGJSFX-PMACEKPBSA-N 1 0 363.423 4.825 50 0 FJAARO CCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000095506693 209065660 /nfs/dbraw/zinc/06/56/60/209065660.db2.gz UAKDROIOJRBSEX-IBGZPJMESA-N 1 0 361.489 4.895 50 0 FJAARO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc21 ZINC000059369978 136132107 /nfs/dbraw/zinc/13/21/07/136132107.db2.gz WELKZOGJWUTYHD-LJQANCHMSA-N 1 0 370.496 4.734 50 0 FJAARO CC1(C)C[C@@H]([NH2+]C2CCN(c3cccc(-c4ccccc4)c3)CC2)CCO1 ZINC000063833974 136133052 /nfs/dbraw/zinc/13/30/52/136133052.db2.gz NMZXTWOFBNQRIY-QFIPXVFZSA-N 1 0 364.533 4.870 50 0 FJAARO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096236570 222093737 /nfs/dbraw/zinc/09/37/37/222093737.db2.gz QPGARXGKGDFGBZ-UHFFFAOYSA-N 1 0 354.469 4.542 50 0 FJAARO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000096132150 222037810 /nfs/dbraw/zinc/03/78/10/222037810.db2.gz GCSYYZTYVVEROY-KRWDZBQOSA-N 1 0 371.456 4.566 50 0 FJAARO [NH3+]CC[C@H]1CCCN(C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)C1 ZINC000096163146 222063790 /nfs/dbraw/zinc/06/37/90/222063790.db2.gz OYNGRBLYDJPGEN-OAHLLOKOSA-N 1 0 357.885 4.600 50 0 FJAARO O=C(c1ccccc1)N1CCC[N@@H+](C2c3ccccc3-c3ccccc32)CC1 ZINC000097477471 222185034 /nfs/dbraw/zinc/18/50/34/222185034.db2.gz GPWRKQORAJYRHB-UHFFFAOYSA-N 1 0 368.480 4.605 50 0 FJAARO Cc1ccc(-c2ccccc2C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)o1 ZINC000097797765 222214096 /nfs/dbraw/zinc/21/40/96/222214096.db2.gz LDBQSBZISFAVJT-HSZRJFAPSA-N 1 0 362.473 4.596 50 0 FJAARO Cc1ccc(-c2ccccc2C[NH+]2CCC([C@H](O)c3ccccn3)CC2)o1 ZINC000097797764 222215276 /nfs/dbraw/zinc/21/52/76/222215276.db2.gz LDBQSBZISFAVJT-QHCPKHFHSA-N 1 0 362.473 4.596 50 0 FJAARO CC1=C[C@H](C)[C@@H](CN(CCC[NH+](C)C)C(=O)Nc2ccccc2)[C@H](C)C1 ZINC000102667391 222304103 /nfs/dbraw/zinc/30/41/03/222304103.db2.gz BTSDULYOJUKWAH-QKNQBKEWSA-N 1 0 357.542 4.711 50 0 FJAARO CSc1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019782015 263376111 /nfs/dbraw/zinc/37/61/11/263376111.db2.gz XWKMOTFEZMVVPW-UHFFFAOYSA-N 1 0 362.542 4.880 50 0 FJAARO COc1ccccc1-c1ccc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)nn1 ZINC000426399198 263576686 /nfs/dbraw/zinc/57/66/86/263576686.db2.gz KBTJFGKASZBYBR-QGZVFWFLSA-N 1 0 359.473 4.976 50 0 FJAARO CC(C)[NH+]1CCC(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000020549633 519672320 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COc1ccc([C@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000001609104 570502937 /nfs/dbraw/zinc/50/29/37/570502937.db2.gz YBWUFNOXFGTPPO-HXUWFJFHSA-N 1 0 350.487 4.619 50 0 FJAARO CCC[NH+](CCC)CCSCC(=O)Nc1cc(Cl)ccc1Cl ZINC000002168052 570515849 /nfs/dbraw/zinc/51/58/49/570515849.db2.gz YWPWMFPWIJKOCP-UHFFFAOYSA-N 1 0 363.354 4.787 50 0 FJAARO O=C([C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1cccs1)N1CCCCC1 ZINC000084519405 570517195 /nfs/dbraw/zinc/51/71/95/570517195.db2.gz DBSOKDODALVEDE-UYAOXDASSA-N 1 0 354.519 4.639 50 0 FJAARO CCn1c2ccccc2c2cc(C[NH2+]CCc3ccc4c(c3)OCO4)ccc21 ZINC000002735133 570528924 /nfs/dbraw/zinc/52/89/24/570528924.db2.gz CNLUJCLUKUPZOQ-UHFFFAOYSA-N 1 0 372.468 4.875 50 0 FJAARO CC1(C)CC(NC(=S)Nc2ccc(Cl)cc2Cl)CC(C)(C)[NH2+]1 ZINC000002981900 570546258 /nfs/dbraw/zinc/54/62/58/570546258.db2.gz OUNZRGZNUZQFHN-UHFFFAOYSA-N 1 0 360.354 4.589 50 0 FJAARO O[C@@H](C[NH2+]Cc1ccccc1)COc1cc2ccsc2c2ccccc12 ZINC000003140339 570552978 /nfs/dbraw/zinc/55/29/78/570552978.db2.gz 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CC1CC[NH+](CCOCCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000008750467 570687672 /nfs/dbraw/zinc/68/76/72/570687672.db2.gz JILCGNRYBFBLLG-UHFFFAOYSA-N 1 0 366.716 4.774 50 0 FJAARO COCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315647 570699810 /nfs/dbraw/zinc/69/98/10/570699810.db2.gz SMIDYDWFIGDGAV-UHFFFAOYSA-N 1 0 363.288 4.732 50 0 FJAARO Cc1c(C[NH2+]C[C@@H]2CCCO2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315542 570699849 /nfs/dbraw/zinc/69/98/49/570699849.db2.gz LXPNJZCUPRDNRA-SFHVURJKSA-N 1 0 368.908 4.920 50 0 FJAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2ccccc2Cl)cc1F ZINC000011664179 570704681 /nfs/dbraw/zinc/70/46/81/570704681.db2.gz LXOJPRHLKHXCPE-LBPRGKRZSA-N 1 0 359.832 4.729 50 0 FJAARO COc1ccc2[nH]c(C[NH2+][C@H](C)c3cnn(-c4ccccc4)c3C)c(C)c2c1 ZINC000011948754 570713169 /nfs/dbraw/zinc/71/31/69/570713169.db2.gz PWGSXMSFTDHPJR-MRXNPFEDSA-N 1 0 374.488 4.830 50 0 FJAARO CCC(CC)[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000012315108 570735833 /nfs/dbraw/zinc/73/58/33/570735833.db2.gz 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CC(C)c1ccc(S(=O)(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000017076358 570868237 /nfs/dbraw/zinc/86/82/37/570868237.db2.gz YMEMIDSRIHFPBO-UHFFFAOYSA-N 1 0 372.534 4.597 50 0 FJAARO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1 ZINC000019300635 570885280 /nfs/dbraw/zinc/88/52/80/570885280.db2.gz OBANDSKBWSHPTK-LJQANCHMSA-N 1 0 353.441 4.716 50 0 FJAARO COc1ccc2ccccc2c1C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000019632987 570896196 /nfs/dbraw/zinc/89/61/96/570896196.db2.gz FLGJXLALAKQFQL-UHFFFAOYSA-N 1 0 360.501 4.787 50 0 FJAARO COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2ccccc12 ZINC000019633400 570896213 /nfs/dbraw/zinc/89/62/13/570896213.db2.gz ALZIAZHDRYIWPH-UHFFFAOYSA-N 1 0 366.892 4.824 50 0 FJAARO COc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c2ccccc12 ZINC000019632647 570896469 /nfs/dbraw/zinc/89/64/69/570896469.db2.gz SLRWMVRDUGJNCR-UHFFFAOYSA-N 1 0 360.501 4.787 50 0 FJAARO Cc1cc(C)cc(NC(=S)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000036847588 570902308 /nfs/dbraw/zinc/90/23/08/570902308.db2.gz 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ZINC000026129391 571003077 /nfs/dbraw/zinc/00/30/77/571003077.db2.gz SURCZKNFSWLGIQ-SFHVURJKSA-N 1 0 369.336 4.974 50 0 FJAARO O=C(C[C@H]1C=CCC1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000026404120 571005800 /nfs/dbraw/zinc/00/58/00/571005800.db2.gz VKRJQWUTERTFIF-FQEVSTJZSA-N 1 0 374.528 4.922 50 0 FJAARO Clc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222600 571011119 /nfs/dbraw/zinc/01/11/19/571011119.db2.gz RLLYQTPCEJTSPT-FQEVSTJZSA-N 1 0 351.881 4.752 50 0 FJAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027742416 571019629 /nfs/dbraw/zinc/01/96/29/571019629.db2.gz NFHNOBOWPGKEFF-RQJZOYDLSA-N 1 0 372.578 4.608 50 0 FJAARO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000028427719 571026590 /nfs/dbraw/zinc/02/65/90/571026590.db2.gz RFAFSRXWANRFFR-UHFFFAOYSA-N 1 0 354.277 4.617 50 0 FJAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000028292011 571030423 /nfs/dbraw/zinc/03/04/23/571030423.db2.gz IXNYAKRQUZEWFR-GAWOJFTKSA-N 1 0 366.549 4.546 50 0 FJAARO CC(C)(C)c1ccc([C@@H](CNC(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000028292878 571030467 /nfs/dbraw/zinc/03/04/67/571030467.db2.gz GXGPHGHOVBFQBS-JOCHJYFZSA-N 1 0 364.533 4.941 50 0 FJAARO Cc1ccc(N[C@H](C)c2cn3ccccc3n2)cc1NC(=O)C(C)(C)C ZINC000225411266 571033592 /nfs/dbraw/zinc/03/35/92/571033592.db2.gz GDIGCDTXXQQDBA-OAHLLOKOSA-N 1 0 350.466 4.800 50 0 FJAARO CC(C)[C@H]([NH2+]CC(=O)N[C@H](C)c1cc2ccccc2o1)c1cccs1 ZINC000029203215 571037253 /nfs/dbraw/zinc/03/72/53/571037253.db2.gz IBDLUBVPACLUBG-VLIAUNLRSA-N 1 0 356.491 4.658 50 0 FJAARO COc1ccc2c(c1OC)CC[C@H]2Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000225604896 571048831 /nfs/dbraw/zinc/04/88/31/571048831.db2.gz JWYJXSIKQGYAOW-GOSISDBHSA-N 1 0 360.885 4.518 50 0 FJAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1 ZINC000012691514 571049609 /nfs/dbraw/zinc/04/96/09/571049609.db2.gz AVYHMIWKLHEANY-GOSISDBHSA-N 1 0 368.477 4.587 50 0 FJAARO CCCOc1ccc2[nH]c(C)c(C[N@@H+]3CCc4ccccc4C3)c(=O)c2c1 ZINC000008572522 571050638 /nfs/dbraw/zinc/05/06/38/571050638.db2.gz QULIAZYJRWAHRE-UHFFFAOYSA-N 1 0 362.473 4.596 50 0 FJAARO CCc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000083825706 571051335 /nfs/dbraw/zinc/05/13/35/571051335.db2.gz JZVCCBCXJOFARS-AVRDEDQJSA-N 1 0 365.521 4.623 50 0 FJAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008750078 571059548 /nfs/dbraw/zinc/05/95/48/571059548.db2.gz KBTNVNIEPJHVFE-XXAPSYRMSA-N 1 0 366.549 4.617 50 0 FJAARO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccc(OC)cc2OC)cc1 ZINC000033087188 571062008 /nfs/dbraw/zinc/06/20/08/571062008.db2.gz NKRVKVUCCPRLKK-NRFANRHFSA-N 1 0 355.478 4.830 50 0 FJAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc(OC)c1OC ZINC000033087278 571062402 /nfs/dbraw/zinc/06/24/02/571062402.db2.gz NPLFZGXJBZNHGY-MRXNPFEDSA-N 1 0 361.507 4.891 50 0 FJAARO Clc1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000000757576 571068895 /nfs/dbraw/zinc/06/88/95/571068895.db2.gz HDPDAAGGPRDOPH-UHFFFAOYSA-N 1 0 363.332 4.790 50 0 FJAARO FC(F)Oc1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000040039055 571069493 /nfs/dbraw/zinc/06/94/93/571069493.db2.gz GWJBUTUCBNEMLU-UHFFFAOYSA-N 1 0 363.795 4.621 50 0 FJAARO COc1ccccc1N1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000023281700 571072074 /nfs/dbraw/zinc/07/20/74/571072074.db2.gz YVYSRQYTSUCGAJ-UHFFFAOYSA-N 1 0 372.512 4.649 50 0 FJAARO Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000040086189 571073585 /nfs/dbraw/zinc/07/35/85/571073585.db2.gz QZPPATDVCPDQJC-OAQYLSRUSA-N 1 0 371.908 4.585 50 0 FJAARO Cc1ccc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000084133444 571074791 /nfs/dbraw/zinc/07/47/91/571074791.db2.gz VYLMWEABEGEBJB-RTBURBONSA-N 1 0 365.521 4.582 50 0 FJAARO CC(C)(C)CC(C)(C)[NH2+]Cc1nc(-c2cc(Br)cs2)no1 ZINC000084169682 571077000 /nfs/dbraw/zinc/07/70/00/571077000.db2.gz OMVIUBMWTSPUHF-UHFFFAOYSA-N 1 0 372.332 4.865 50 0 FJAARO Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](c4ccccc4)C3)n2)cc1F ZINC000084185408 571078246 /nfs/dbraw/zinc/07/82/46/571078246.db2.gz YZVTXPZIXDSYOV-LJQANCHMSA-N 1 0 365.452 4.606 50 0 FJAARO COc1ccc(C)cc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038849472 571087874 /nfs/dbraw/zinc/08/78/74/571087874.db2.gz YIZZVGDLDLPUNE-UHFFFAOYSA-N 1 0 352.478 4.632 50 0 FJAARO Fc1ccc(N2CC[C@H](C[NH2+]Cc3ccc4ccccc4c3)C2)cc1F ZINC000084605868 571092135 /nfs/dbraw/zinc/09/21/35/571092135.db2.gz SASIKCHGROOHFK-QGZVFWFLSA-N 1 0 352.428 4.734 50 0 FJAARO CCOc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OC(C)C ZINC000040729242 571093950 /nfs/dbraw/zinc/09/39/50/571093950.db2.gz GPJQVSPHHRIIIZ-UHFFFAOYSA-N 1 0 365.876 4.997 50 0 FJAARO CCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccccc1C ZINC000040736798 571094914 /nfs/dbraw/zinc/09/49/14/571094914.db2.gz FOYJWKORGNHJPS-UHFFFAOYSA-N 1 0 362.473 4.658 50 0 FJAARO CC[C@@H](CO)[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736060 571094932 /nfs/dbraw/zinc/09/49/32/571094932.db2.gz XYDKMIFQNYJFNU-IBGZPJMESA-N 1 0 369.892 4.933 50 0 FJAARO Clc1ccc(COc2cccc(C[NH2+]C[C@@H]3CCCO3)c2)cc1Cl ZINC000040738822 571095122 /nfs/dbraw/zinc/09/51/22/571095122.db2.gz PPXZBHVUDWXGBK-KRWDZBQOSA-N 1 0 366.288 4.841 50 0 FJAARO Cc1ccc(NC(=O)COc2ccc(Cl)cc2C[NH2+]C2CCCC2)cc1 ZINC000040743576 571095955 /nfs/dbraw/zinc/09/59/55/571095955.db2.gz BZKSCHGULHJKIL-UHFFFAOYSA-N 1 0 372.896 4.698 50 0 FJAARO CC(C)(c1ccccc1)c1ccc(OC2CC[NH2+]CC2)c(Br)c1 ZINC000042774867 571098961 /nfs/dbraw/zinc/09/89/61/571098961.db2.gz ANOHXTSOOOPYCQ-UHFFFAOYSA-N 1 0 374.322 4.906 50 0 FJAARO Cc1c(Cl)cccc1-c1cccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000426641499 571105111 /nfs/dbraw/zinc/10/51/11/571105111.db2.gz JRQYTXFQORWFGW-INIZCTEOSA-N 1 0 356.897 4.516 50 0 FJAARO C[C@@H]1CCC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)[C@H]1C ZINC000239667446 571108626 /nfs/dbraw/zinc/10/86/26/571108626.db2.gz BQDRHTAKHRGNGD-MSYCTHLASA-N 1 0 374.532 4.908 50 0 FJAARO COc1ccccc1[C@H](CC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1)c1ccco1 ZINC000009531177 571112783 /nfs/dbraw/zinc/11/27/83/571112783.db2.gz ADZJVPMVUQQIJT-ZWCUEREDSA-N 1 0 357.494 4.603 50 0 FJAARO COc1cccc(C[N@H+](Cc2cc(=O)c(OC)c[nH]2)C2CCCCCC2)c1 ZINC000244716113 571114978 /nfs/dbraw/zinc/11/49/78/571114978.db2.gz LIRJSVNFIVOJFP-UHFFFAOYSA-N 1 0 370.493 4.529 50 0 FJAARO CC[N@H+](Cc1ccncc1)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000009849533 571120143 /nfs/dbraw/zinc/12/01/43/571120143.db2.gz GRKOBHUYGYKMLJ-UHFFFAOYSA-N 1 0 362.473 4.691 50 0 FJAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Cl)c1cccc2ccccc21 ZINC000010330407 571125298 /nfs/dbraw/zinc/12/52/98/571125298.db2.gz FHNABUOLSBLBCZ-FQEVSTJZSA-N 1 0 352.865 4.526 50 0 FJAARO Fc1ccccc1Cn1nc(C[NH2+]C2CCCCC2)c(-c2ccccc2)n1 ZINC000247487668 571125416 /nfs/dbraw/zinc/12/54/16/571125416.db2.gz AKAGRYMHDFGLQR-UHFFFAOYSA-N 1 0 364.468 4.555 50 0 FJAARO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000058161829 571126289 /nfs/dbraw/zinc/12/62/89/571126289.db2.gz ISIHBRKYZWNOQJ-ULQDDVLXSA-N 1 0 354.494 4.887 50 0 FJAARO Cc1cccc(Cn2cc(C[NH2+]CCCOC(C)C)c3ccccc32)c1 ZINC000247925861 571126688 /nfs/dbraw/zinc/12/66/88/571126688.db2.gz PFWVDNMJOABJNO-UHFFFAOYSA-N 1 0 350.506 4.903 50 0 FJAARO c1c(C[NH2+]CCCOc2ccccn2)c2ccccc2n1Cc1ccccc1 ZINC000248085690 571127552 /nfs/dbraw/zinc/12/75/52/571127552.db2.gz FGULWFKFRTYWTR-UHFFFAOYSA-N 1 0 371.484 4.643 50 0 FJAARO CCCCC[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248232583 571128155 /nfs/dbraw/zinc/12/81/55/571128155.db2.gz AZXVGIOPDOPCLN-UHFFFAOYSA-N 1 0 368.912 4.927 50 0 FJAARO CC(C)(C)[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000248234207 571128770 /nfs/dbraw/zinc/12/87/70/571128770.db2.gz MAALFMKHYGTWMJ-UHFFFAOYSA-N 1 0 354.885 4.535 50 0 FJAARO CCC(C)(C)[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000248290218 571129238 /nfs/dbraw/zinc/12/92/38/571129238.db2.gz SCNBYHGTBCWLLX-UHFFFAOYSA-N 1 0 368.912 4.925 50 0 FJAARO Clc1ccc(Cn2cc(C[NH2+]C[C@H]3CCCO3)c3ccccc32)cc1 ZINC000253489817 571135807 /nfs/dbraw/zinc/13/58/07/571135807.db2.gz GNBVSMMWXVJBNN-LJQANCHMSA-N 1 0 354.881 4.612 50 0 FJAARO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000065419730 571143573 /nfs/dbraw/zinc/14/35/73/571143573.db2.gz IAPNAFNFFUNLLR-HSZRJFAPSA-N 1 0 373.500 4.535 50 0 FJAARO c1sc2ccccc2c1-c1cc([C@@H]2CC[N@@H+](Cc3cncnc3)C2)ccn1 ZINC000065533538 571144969 /nfs/dbraw/zinc/14/49/69/571144969.db2.gz WEYJNLLIISASLB-GOSISDBHSA-N 1 0 372.497 4.743 50 0 FJAARO Cc1ccccc1C[N@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012941955 571153220 /nfs/dbraw/zinc/15/32/20/571153220.db2.gz FCPQNTCBVWPSTI-QHCPKHFHSA-N 1 0 361.485 4.534 50 0 FJAARO COc1ccccc1[C@@H](C)[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000012945608 571153415 /nfs/dbraw/zinc/15/34/15/571153415.db2.gz CFYXXMHHWFMBJC-QGZVFWFLSA-N 1 0 363.505 4.716 50 0 FJAARO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1cc2cc(Cl)c(Cl)cc2[nH]1 ZINC000075093199 571154535 /nfs/dbraw/zinc/15/45/35/571154535.db2.gz XVFZVEZAOSMSLH-VIFPVBQESA-N 1 0 351.281 4.676 50 0 FJAARO O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000004673434 571157188 /nfs/dbraw/zinc/15/71/88/571157188.db2.gz RKHIVZHOQCRVEA-DEOSSOPVSA-N 1 0 370.496 4.729 50 0 FJAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071749371 571164581 /nfs/dbraw/zinc/16/45/81/571164581.db2.gz LGQORFXWGJDKFR-MRXNPFEDSA-N 1 0 351.416 4.582 50 0 FJAARO COc1ccccc1[C@H](CC[NH2+][C@H]1CCO[C@H](C(C)C)C1)c1ccco1 ZINC000035378163 571167713 /nfs/dbraw/zinc/16/77/13/571167713.db2.gz ADZJVPMVUQQIJT-JLMWRMLUSA-N 1 0 357.494 4.603 50 0 FJAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2Cl)N3)C1 ZINC000006256297 571168448 /nfs/dbraw/zinc/16/84/48/571168448.db2.gz CVXBKKMAHLCGKW-INIZCTEOSA-N 1 0 361.898 4.597 50 0 FJAARO CC(C)c1ccccc1NC(=O)C[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000003339137 571180974 /nfs/dbraw/zinc/18/09/74/571180974.db2.gz SNGIRDUPSQBPQU-UHFFFAOYSA-N 1 0 364.411 4.600 50 0 FJAARO COc1ccc(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)cc1Cl ZINC000075465771 571186325 /nfs/dbraw/zinc/18/63/25/571186325.db2.gz HCGVKOLSAHLMHU-UHFFFAOYSA-N 1 0 371.868 4.920 50 0 FJAARO CSc1ccc2cc(C[N@H+](C)CCO)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072418047 571192611 /nfs/dbraw/zinc/19/26/11/571192611.db2.gz FGKXSXKDRQJGFR-UHFFFAOYSA-N 1 0 372.921 4.701 50 0 FJAARO O=C(NCc1cccc(Oc2ccccc2)c1)C1([NH+]2CCCC2)CCCC1 ZINC000299757438 571192589 /nfs/dbraw/zinc/19/25/89/571192589.db2.gz JNIMVKOLZLDYMJ-UHFFFAOYSA-N 1 0 364.489 4.504 50 0 FJAARO CC1(C)C[C@H](C[NH2+]CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)CCO1 ZINC000001817165 571197131 /nfs/dbraw/zinc/19/71/31/571197131.db2.gz VFBQBALYJXPYLA-AUSIDOKSSA-N 1 0 359.554 4.698 50 0 FJAARO C[NH+](C)[C@@H](CNc1cc(C(F)(F)F)nc2ccccc21)c1ccccc1 ZINC000089313899 571200938 /nfs/dbraw/zinc/20/09/38/571200938.db2.gz DPCKCKFJJCZHFP-SFHVURJKSA-N 1 0 359.395 4.968 50 0 FJAARO C[NH+](C)[C@H](CNc1cc(C(F)(F)F)nc2ccccc21)c1ccccc1 ZINC000089313900 571201002 /nfs/dbraw/zinc/20/10/02/571201002.db2.gz DPCKCKFJJCZHFP-GOSISDBHSA-N 1 0 359.395 4.968 50 0 FJAARO COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)c1 ZINC000075448655 571203282 /nfs/dbraw/zinc/20/32/82/571203282.db2.gz SCTVSFLZPJVFMB-IBGZPJMESA-N 1 0 366.465 4.534 50 0 FJAARO COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000004038362 571204286 /nfs/dbraw/zinc/20/42/86/571204286.db2.gz NJKRITVJGFNMNK-RPWUZVMVSA-N 1 0 367.533 4.948 50 0 FJAARO Cc1cc(=O)[nH]c(-c2ccc(-c3ccc([C@@H](C)[NH+]4CCCC4)cc3)cc2)n1 ZINC000534646714 571206617 /nfs/dbraw/zinc/20/66/17/571206617.db2.gz NEIVRZDQYNYLMH-QGZVFWFLSA-N 1 0 359.473 4.569 50 0 FJAARO CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Cl)cc3)c(=[NH2+])oc2c1 ZINC000006517599 571207023 /nfs/dbraw/zinc/20/70/23/571207023.db2.gz QLCMFTRZXOZMOA-UHFFFAOYSA-N 1 0 369.852 4.664 50 0 FJAARO CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=[NH2+])oc2c1 ZINC000006517596 571207030 /nfs/dbraw/zinc/20/70/30/571207030.db2.gz YSOXFTFGLBIMBK-UHFFFAOYSA-N 1 0 363.461 4.628 50 0 FJAARO COc1ccc(-c2nc3cccc(C)n3c2NCc2ccccc2)cc1OC ZINC000004754089 571231639 /nfs/dbraw/zinc/23/16/39/571231639.db2.gz LUEVZHDYHUHLOD-UHFFFAOYSA-N 1 0 373.456 4.939 50 0 FJAARO c1c(-c2ccccc2)n(CC[NH2+]C2CCCCC2)c2nc3ccccc3n12 ZINC000004786126 571236113 /nfs/dbraw/zinc/23/61/13/571236113.db2.gz QHHWVCVQPTYAHV-UHFFFAOYSA-N 1 0 358.489 4.878 50 0 FJAARO c1cncc([C@@H]2CCCC[N@H+]2CCCCOc2ccc3c(c2)CCC3)c1 ZINC000006624602 571237566 /nfs/dbraw/zinc/23/75/66/571237566.db2.gz NCVHXFHVRZRTLC-QHCPKHFHSA-N 1 0 350.506 4.957 50 0 FJAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COc2ccc(Cl)cc2)o1 ZINC000036031574 571239129 /nfs/dbraw/zinc/23/91/29/571239129.db2.gz CDXGWJZUHUICOM-SFHVURJKSA-N 1 0 365.901 4.529 50 0 FJAARO CCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036031876 571239151 /nfs/dbraw/zinc/23/91/51/571239151.db2.gz LDKQUUBGJFVHLK-HXUWFJFHSA-N 1 0 361.913 4.609 50 0 FJAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@H](O)COc1ccccc1C ZINC000036100057 571241688 /nfs/dbraw/zinc/24/16/88/571241688.db2.gz XFMFVCLJYMOLSL-QFIPXVFZSA-N 1 0 355.522 4.591 50 0 FJAARO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C)c2ccccc2)cc1 ZINC000006784476 571246424 /nfs/dbraw/zinc/24/64/24/571246424.db2.gz LERYTJDQPQZGPA-GDKQOWJMSA-N 1 0 367.533 4.630 50 0 FJAARO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccc(C)cc1 ZINC000006922845 571254637 /nfs/dbraw/zinc/25/46/37/571254637.db2.gz MRYHAXJYGJIWLN-NHTMILBNSA-N 1 0 365.517 4.872 50 0 FJAARO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C(C)C ZINC000065322296 571261642 /nfs/dbraw/zinc/26/16/42/571261642.db2.gz FEVVLOYDFQLKAZ-UHFFFAOYSA-N 1 0 370.541 4.978 50 0 FJAARO Cc1cc(C)c(NC(=S)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000036847485 571263347 /nfs/dbraw/zinc/26/33/47/571263347.db2.gz CLQOWQIQBDGAFV-LSDHHAIUSA-N 1 0 353.963 4.506 50 0 FJAARO Cc1noc(C)c1C[C@H](C)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000170601677 571267038 /nfs/dbraw/zinc/26/70/38/571267038.db2.gz GEVBACFDJOHSGY-ZDUSSCGKSA-N 1 0 354.416 4.854 50 0 FJAARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000037279974 571267755 /nfs/dbraw/zinc/26/77/55/571267755.db2.gz WHNAXCXUJCQQAJ-UHFFFAOYSA-N 1 0 354.469 4.542 50 0 FJAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2ccc(Cl)cc2s1 ZINC000170613388 571268036 /nfs/dbraw/zinc/26/80/36/571268036.db2.gz NNJADAKPFVSVOC-ZBFHGGJFSA-N 1 0 362.926 4.549 50 0 FJAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2cccc(Cl)c2s1 ZINC000170613347 571268056 /nfs/dbraw/zinc/26/80/56/571268056.db2.gz ZBHRYYRXRLYTQJ-ZBFHGGJFSA-N 1 0 362.926 4.549 50 0 FJAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(N2CCCCC2)cc1 ZINC000007620746 571284461 /nfs/dbraw/zinc/28/44/61/571284461.db2.gz WJTWKVCMFCXHSC-LJQANCHMSA-N 1 0 369.534 4.514 50 0 FJAARO CCC[NH+]1CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c32)CC1 ZINC000007653379 571285291 /nfs/dbraw/zinc/28/52/91/571285291.db2.gz FMVZLIDPXGRFBQ-UHFFFAOYSA-N 1 0 372.563 4.569 50 0 FJAARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000037560697 571287975 /nfs/dbraw/zinc/28/79/75/571287975.db2.gz KCUACDDCQOAWQB-UHFFFAOYSA-N 1 0 354.469 4.542 50 0 FJAARO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)C1CCCC1 ZINC000101359136 571309258 /nfs/dbraw/zinc/30/92/58/571309258.db2.gz LAUAHIVTDOZZLW-XZOQPEGZSA-N 1 0 363.501 4.778 50 0 FJAARO O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000253418894 571312768 /nfs/dbraw/zinc/31/27/68/571312768.db2.gz DCAXHAMYUUUKBK-YZGWKJHDSA-N 1 0 374.525 4.855 50 0 FJAARO CCN(Cc1ccccc1Cl)C(=O)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC000584888163 571314083 /nfs/dbraw/zinc/31/40/83/571314083.db2.gz JLFAXRQUDAFYFW-HXUWFJFHSA-N 1 0 373.928 4.565 50 0 FJAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2cccc(Cl)c2s1 ZINC000079193337 571327177 /nfs/dbraw/zinc/32/71/77/571327177.db2.gz ZBHRYYRXRLYTQJ-GOEBONIOSA-N 1 0 362.926 4.549 50 0 FJAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(-c2ccccc2Cl)o1 ZINC000079190035 571327223 /nfs/dbraw/zinc/32/72/23/571327223.db2.gz KAWYFYHCNBEYIZ-MAUKXSAKSA-N 1 0 372.896 4.594 50 0 FJAARO CC(C)n1cc(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21 ZINC000079489073 571327611 /nfs/dbraw/zinc/32/76/11/571327611.db2.gz VYENYNWNTJIVOO-UHFFFAOYSA-N 1 0 369.553 4.580 50 0 FJAARO O[C@@H](C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000095353005 571328950 /nfs/dbraw/zinc/32/89/50/571328950.db2.gz OMXZPAKUEDUQIB-FPOVZHCZSA-N 1 0 371.452 4.707 50 0 FJAARO Cc1cc(C)cc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@H]3C)CC2)c1 ZINC000020733526 571331676 /nfs/dbraw/zinc/33/16/76/571331676.db2.gz PQESEMZKLHXENR-NQIIRXRSSA-N 1 0 373.610 4.975 50 0 FJAARO O[C@H](c1ccccc1)C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000095982424 571333425 /nfs/dbraw/zinc/33/34/25/571333425.db2.gz PNNNOMJFXWNFPR-XMMPIXPASA-N 1 0 358.485 4.694 50 0 FJAARO Cc1ccc(CN2CCc3nc(Nc4ccc(F)cc4)ncc3C2)cc1C ZINC000021639817 571335291 /nfs/dbraw/zinc/33/52/91/571335291.db2.gz LKUHLHVRNWLSCG-UHFFFAOYSA-N 1 0 362.452 4.534 50 0 FJAARO Clc1ccc(-c2csc3ncnc(NCC[NH+]4CCCCC4)c23)cc1 ZINC000021933203 571336259 /nfs/dbraw/zinc/33/62/59/571336259.db2.gz NHDHSXZDSSADOX-UHFFFAOYSA-N 1 0 372.925 4.910 50 0 FJAARO Cc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000002658418 571340257 /nfs/dbraw/zinc/34/02/57/571340257.db2.gz CLHXTOJXIVWMCZ-UHFFFAOYSA-N 1 0 373.953 4.599 50 0 FJAARO Cc1ccc(Cl)cc1NC(=S)N1CCC([N@@H+](C)CCC(C)C)CC1 ZINC000002912898 571341591 /nfs/dbraw/zinc/34/15/91/571341591.db2.gz LJSPIHRNYOXTAY-UHFFFAOYSA-N 1 0 367.990 4.788 50 0 FJAARO Cc1cccc(NC(=S)N(CCC(C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000002933504 571341868 /nfs/dbraw/zinc/34/18/68/571341868.db2.gz BKLRCGZEOIHUDL-UHFFFAOYSA-N 1 0 361.599 4.913 50 0 FJAARO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000057398977 571343037 /nfs/dbraw/zinc/34/30/37/571343037.db2.gz KJMFZPIBOFHPNZ-KRWDZBQOSA-N 1 0 362.395 4.713 50 0 FJAARO CCCC[N@H+](CC)Cc1ccc(CNC(=O)Nc2ccc(C)c(C)c2)o1 ZINC000003008246 571343406 /nfs/dbraw/zinc/34/34/06/571343406.db2.gz RFLGRAFYCIAYHW-UHFFFAOYSA-N 1 0 357.498 4.840 50 0 FJAARO CCCC[N@H+](CC)Cc1ccc(CNC(=S)Nc2ccccc2F)o1 ZINC000003027320 571343669 /nfs/dbraw/zinc/34/36/69/571343669.db2.gz OJXKPMZJUYOCAH-UHFFFAOYSA-N 1 0 363.502 4.527 50 0 FJAARO Cc1ccccc1NC(=S)N1CCC([N@@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000003058572 571344370 /nfs/dbraw/zinc/34/43/70/571344370.db2.gz TWLQFTCLKAJKAP-FXAWDEMLSA-N 1 0 359.583 4.667 50 0 FJAARO Cc1ccc(N2[C@@H]3CCCCC[N@@H+]3C[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000003196802 571345399 /nfs/dbraw/zinc/34/53/99/571345399.db2.gz QKBJYJLZSLIWFC-RTWAWAEBSA-N 1 0 356.897 4.516 50 0 FJAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2Br)cc1 ZINC000030640445 571347103 /nfs/dbraw/zinc/34/71/03/571347103.db2.gz LXOXERHWHOUPEK-CYBMUJFWSA-N 1 0 361.283 4.648 50 0 FJAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000030640368 571347138 /nfs/dbraw/zinc/34/71/38/571347138.db2.gz RBTGCRNVOOIHDH-CYBMUJFWSA-N 1 0 361.283 4.648 50 0 FJAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000003344842 571347888 /nfs/dbraw/zinc/34/78/88/571347888.db2.gz ITGKIXSJWAOOJF-GOSISDBHSA-N 1 0 362.395 4.917 50 0 FJAARO CCCC[N@H+](C)CCCN(Cc1ccco1)C(=S)Nc1ccc(C)cc1 ZINC000003665463 571352091 /nfs/dbraw/zinc/35/20/91/571352091.db2.gz BNGQAZZECDOHOV-UHFFFAOYSA-N 1 0 373.566 4.909 50 0 FJAARO C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCCc2ccccc21 ZINC000008126660 571359157 /nfs/dbraw/zinc/35/91/57/571359157.db2.gz ONTRIUKBHNWJAM-SFHVURJKSA-N 1 0 363.288 4.941 50 0 FJAARO O=C(C[NH+](C1CCCCC1)C1CCCCC1)N1CCc2ccccc2C1 ZINC000002642719 219455007 /nfs/dbraw/zinc/45/50/07/219455007.db2.gz YJGMGNKJGNMJOH-UHFFFAOYSA-N 1 0 354.538 4.539 50 0 FJAARO COc1cccc(NC(=O)[C@H]([NH2+]CC2CCCCC2)c2ccccc2)c1 ZINC000003332935 219501696 /nfs/dbraw/zinc/50/16/96/219501696.db2.gz FWOGFHIPUNTMEB-OAQYLSRUSA-N 1 0 352.478 4.545 50 0 FJAARO C[C@H]1C[C@H](C)C[NH+](CCOCCOc2cccc(Oc3ccccc3)c2)C1 ZINC000004914596 219623856 /nfs/dbraw/zinc/62/38/56/219623856.db2.gz AKMNCHYPLKUWEV-PMACEKPBSA-N 1 0 369.505 4.852 50 0 FJAARO COc1cc(C[NH2+]CC(C)C)ccc1OCc1c(F)cccc1Cl ZINC000006883575 219779755 /nfs/dbraw/zinc/77/97/55/219779755.db2.gz ZIOQXCRQFSIITQ-UHFFFAOYSA-N 1 0 351.849 4.812 50 0 FJAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(Br)cc3)c2c1 ZINC000000949574 209385040 /nfs/dbraw/zinc/38/50/40/209385040.db2.gz DAXNDRXPLLVNAO-UHFFFAOYSA-N 1 0 371.234 4.836 50 0 FJAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000002655327 209397504 /nfs/dbraw/zinc/39/75/04/209397504.db2.gz BKAYECWWVWOMMS-UHFFFAOYSA-N 1 0 368.443 4.624 50 0 FJAARO c1ccc(OCc2cccnc2)c(CNc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000121672770 209356852 /nfs/dbraw/zinc/35/68/52/209356852.db2.gz QTFNAKIRXJGOGB-UHFFFAOYSA-N 1 0 373.500 4.869 50 0 FJAARO Cc1ccc(COc2ccccc2C[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000113398746 209335898 /nfs/dbraw/zinc/33/58/98/209335898.db2.gz MXKBAWDLYFRNTP-UHFFFAOYSA-N 1 0 371.484 4.783 50 0 FJAARO COCC[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C(C)C ZINC000012576685 220009987 /nfs/dbraw/zinc/00/99/87/220009987.db2.gz WNZVPJVQVLLPIF-UHFFFAOYSA-N 1 0 356.388 4.526 50 0 FJAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2CCC[C@H]2c2c(C)noc2C)n1 ZINC000097347510 209178768 /nfs/dbraw/zinc/17/87/68/209178768.db2.gz VNFQJXHVGXDRAZ-FQEVSTJZSA-N 1 0 368.456 4.570 50 0 FJAARO O=C(CCC1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)Nc1ccccc1 ZINC000012587724 220010877 /nfs/dbraw/zinc/01/08/77/220010877.db2.gz VJRGDDLILSABLP-UHFFFAOYSA-N 1 0 361.489 4.799 50 0 FJAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000012718520 220021198 /nfs/dbraw/zinc/02/11/98/220021198.db2.gz PCMYQCCHWVPMMG-IBGZPJMESA-N 1 0 364.876 4.983 50 0 FJAARO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)o1 ZINC000012715865 220021308 /nfs/dbraw/zinc/02/13/08/220021308.db2.gz JZCNMBCKWYHGRH-LJQANCHMSA-N 1 0 353.441 4.716 50 0 FJAARO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@H+](CCCC(F)(F)F)C1 ZINC000012710203 220019866 /nfs/dbraw/zinc/01/98/66/220019866.db2.gz AJQHTQDDBYSHEQ-LJQANCHMSA-N 1 0 371.443 4.607 50 0 FJAARO Cc1c([C@@H](C)[NH2+]Cc2cc(C)c(O)c(C)c2)cnn1-c1ccc(F)cc1F ZINC000012744667 220023087 /nfs/dbraw/zinc/02/30/87/220023087.db2.gz LMOBDLAWICDMEB-CQSZACIVSA-N 1 0 371.431 4.632 50 0 FJAARO COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000012793658 220030376 /nfs/dbraw/zinc/03/03/76/220030376.db2.gz XOJXDMYCTIYCGL-UHFFFAOYSA-N 1 0 358.869 4.505 50 0 FJAARO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000013041902 220056779 /nfs/dbraw/zinc/05/67/79/220056779.db2.gz WTUITPHBMIVBRB-GFCCVEGCSA-N 1 0 350.384 4.517 50 0 FJAARO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000013041903 220056044 /nfs/dbraw/zinc/05/60/44/220056044.db2.gz WTUITPHBMIVBRB-LBPRGKRZSA-N 1 0 350.384 4.517 50 0 FJAARO CC[C@@H](C)c1ccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000013325025 220064203 /nfs/dbraw/zinc/06/42/03/220064203.db2.gz XVEQNBDPLMQLSL-QGZVFWFLSA-N 1 0 367.493 4.676 50 0 FJAARO C[C@@H]1C[N@@H+](CCCCOc2cccc(Oc3ccccc3)c2)C[C@H](C)O1 ZINC000013153555 220060662 /nfs/dbraw/zinc/06/06/62/220060662.db2.gz SGTHCPWGCBTTQS-KDURUIRLSA-N 1 0 355.478 4.747 50 0 FJAARO Cc1cc(C)cc(NC(=O)NCC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000013363849 220065593 /nfs/dbraw/zinc/06/55/93/220065593.db2.gz DWKPYIKANDEMAH-UHFFFAOYSA-N 1 0 365.521 4.646 50 0 FJAARO CCOc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccccc1 ZINC000013721664 220088983 /nfs/dbraw/zinc/08/89/83/220088983.db2.gz DGHWBGPQGNHHMM-UHFFFAOYSA-N 1 0 357.494 4.569 50 0 FJAARO CCOc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1Br ZINC000013726707 220091146 /nfs/dbraw/zinc/09/11/46/220091146.db2.gz FXBJVQSANZPVMS-OAHLLOKOSA-N 1 0 362.311 4.959 50 0 FJAARO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000014201385 220117472 /nfs/dbraw/zinc/11/74/72/220117472.db2.gz LFLNELPFZXJASF-SFHVURJKSA-N 1 0 350.506 4.667 50 0 FJAARO CCOC(=O)c1oc2ccc(Cl)cc2c1C[NH2+]Cc1cccc(C)c1 ZINC000015017525 220141727 /nfs/dbraw/zinc/14/17/27/220141727.db2.gz CNZIJFKQZJZBOX-UHFFFAOYSA-N 1 0 357.837 4.861 50 0 FJAARO Cc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)oc1C ZINC000014965387 220137739 /nfs/dbraw/zinc/13/77/39/220137739.db2.gz MXBDKHAMTZSWSQ-KRWDZBQOSA-N 1 0 358.457 4.666 50 0 FJAARO Cc1c([C@H](C)[NH2+]Cc2ccccc2OC(F)F)cnn1-c1ccccc1 ZINC000015076036 220146034 /nfs/dbraw/zinc/14/60/34/220146034.db2.gz PFEMJGKEPISYJY-AWEZNQCLSA-N 1 0 357.404 4.633 50 0 FJAARO CCCOc1ccccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000015831552 220166434 /nfs/dbraw/zinc/16/64/34/220166434.db2.gz NNVDSYWTGOXECY-FQEVSTJZSA-N 1 0 372.553 4.736 50 0 FJAARO COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCCCC3)cc1 ZINC000015952558 220173469 /nfs/dbraw/zinc/17/34/69/220173469.db2.gz CJTUEBYSLRDGIV-UHFFFAOYSA-N 1 0 353.873 4.820 50 0 FJAARO Cc1ccc(Cl)cc1NC(=S)N(C(C)C)C1CC[NH+](C(C)C)CC1 ZINC000002912824 206945065 /nfs/dbraw/zinc/94/50/65/206945065.db2.gz GWBPFTYZBWXMAT-UHFFFAOYSA-N 1 0 367.990 4.928 50 0 FJAARO CCc1ccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2ccco2)cc1 ZINC000004193361 207006772 /nfs/dbraw/zinc/00/67/72/207006772.db2.gz LAIGFMXJQGVKQO-UHFFFAOYSA-N 1 0 371.550 4.527 50 0 FJAARO COc1ccccc1C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000004302723 207012926 /nfs/dbraw/zinc/01/29/26/207012926.db2.gz CMJWPNKGTHMEPI-UHFFFAOYSA-N 1 0 365.452 4.604 50 0 FJAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2)N3)C1 ZINC000004553967 207027855 /nfs/dbraw/zinc/02/78/55/207027855.db2.gz TWCWGJZBRRFOSJ-INIZCTEOSA-N 1 0 361.898 4.597 50 0 FJAARO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](C1CCCCC1)[NH2+]C2 ZINC000004622217 207031711 /nfs/dbraw/zinc/03/17/11/207031711.db2.gz DATWQWIQCMIEAA-JOCHJYFZSA-N 1 0 354.494 4.999 50 0 FJAARO CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(F)cc3)o2)cc1 ZINC000004643891 207034607 /nfs/dbraw/zinc/03/46/07/207034607.db2.gz GMDJOBOZZFFXNS-UHFFFAOYSA-N 1 0 353.393 4.552 50 0 FJAARO Cc1cc(C)cc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000004668283 207035302 /nfs/dbraw/zinc/03/53/02/207035302.db2.gz PQESEMZKLHXENR-GHTZIAJQSA-N 1 0 373.610 4.975 50 0 FJAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1ccc(F)cc1 ZINC000004678347 207037461 /nfs/dbraw/zinc/03/74/61/207037461.db2.gz SVGWAAURZFBIQL-UHFFFAOYSA-N 1 0 360.230 4.601 50 0 FJAARO CN(C)c1ccc(C2=[NH+]N(c3ccc(C=O)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000004737685 207043293 /nfs/dbraw/zinc/04/32/93/207043293.db2.gz DLIZRVPRKOSFIO-DEOSSOPVSA-N 1 0 369.468 4.921 50 0 FJAARO c1ccc(CC2CC[NH+](CCOCCSc3ccccc3)CC2)cc1 ZINC000004832267 207052734 /nfs/dbraw/zinc/05/27/34/207052734.db2.gz YANCLFSJXMTEAA-UHFFFAOYSA-N 1 0 355.547 4.750 50 0 FJAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCCSc2ncccn2)o1 ZINC000004984205 207070000 /nfs/dbraw/zinc/07/00/00/207070000.db2.gz VLQDZLZBWUVBJA-UHFFFAOYSA-N 1 0 373.909 4.970 50 0 FJAARO C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000005525677 207104120 /nfs/dbraw/zinc/10/41/20/207104120.db2.gz AHZUCLYTAPMAGO-DLBZAZTESA-N 1 0 367.798 4.887 50 0 FJAARO COc1ccc(C(C)(C)C)cc1NC(=O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000006022941 207126358 /nfs/dbraw/zinc/12/63/58/207126358.db2.gz MGMZYAITGWMTEP-IBGZPJMESA-N 1 0 366.505 4.598 50 0 FJAARO CCOc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccc(C)cc1 ZINC000006716001 207156208 /nfs/dbraw/zinc/15/62/08/207156208.db2.gz VKVXGKFFLJBRII-UHFFFAOYSA-N 1 0 362.473 4.658 50 0 FJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2CC ZINC000006912688 207177518 /nfs/dbraw/zinc/17/75/18/207177518.db2.gz TXFUVYDUOHOUDL-HXUWFJFHSA-N 1 0 369.553 4.662 50 0 FJAARO CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000007262348 207192444 /nfs/dbraw/zinc/19/24/44/207192444.db2.gz RAJALPQSFXXNAW-UHFFFAOYSA-N 1 0 352.247 4.667 50 0 FJAARO C[NH+](C)CCCNCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000008373823 207230696 /nfs/dbraw/zinc/23/06/96/207230696.db2.gz IPDWRKLESKUKQT-UHFFFAOYSA-N 1 0 366.480 4.599 50 0 FJAARO Clc1ccccc1[C@@H](CNc1ncnc2sccc21)[NH+]1CCCC1 ZINC000008323975 207228256 /nfs/dbraw/zinc/22/82/56/207228256.db2.gz GHYFMAIVKRLNMO-MRXNPFEDSA-N 1 0 358.898 4.594 50 0 FJAARO C[NH2+]CCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000008376913 207231797 /nfs/dbraw/zinc/23/17/97/207231797.db2.gz XNBJAKMCLHJBRT-UHFFFAOYSA-N 1 0 368.908 4.771 50 0 FJAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1ccc(F)cc1 ZINC000008471607 207234315 /nfs/dbraw/zinc/23/43/15/207234315.db2.gz ZABOVWWRUDYQPD-UHFFFAOYSA-N 1 0 369.411 4.842 50 0 FJAARO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1cc(F)c(Cl)cc1Cl ZINC000008750781 207247518 /nfs/dbraw/zinc/24/75/18/207247518.db2.gz KJLIVOSWKLVADN-LLVKDONJSA-N 1 0 369.267 4.685 50 0 FJAARO CCC[NH+](CCC)Cc1c(C)[nH]c2ccc(Br)cc2c1=O ZINC000008714076 207242845 /nfs/dbraw/zinc/24/28/45/207242845.db2.gz SODQTLJHGNZSSP-UHFFFAOYSA-N 1 0 351.288 4.633 50 0 FJAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(Cl)cc1Cl ZINC000010031465 207293008 /nfs/dbraw/zinc/29/30/08/207293008.db2.gz QDIBEIFLZLJAHK-OAHLLOKOSA-N 1 0 368.264 4.545 50 0 FJAARO CCOc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000010435988 207301257 /nfs/dbraw/zinc/30/12/57/207301257.db2.gz NNGQMIJYHKROLP-UHFFFAOYSA-N 1 0 351.849 4.955 50 0 FJAARO COc1ccc(-c2nc(C[N@H+](C)C(C3CC3)C3CC3)c(C)o2)c(C)c1C ZINC000011818292 207323972 /nfs/dbraw/zinc/32/39/72/207323972.db2.gz AZKSLJDIGZKFMH-UHFFFAOYSA-N 1 0 354.494 4.896 50 0 FJAARO CCc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)o1 ZINC000012151554 207343414 /nfs/dbraw/zinc/34/34/14/207343414.db2.gz QLCWYYZANVGWCT-MRXNPFEDSA-N 1 0 353.441 4.751 50 0 FJAARO Cc1c(C)n(Cc2cccnc2)c2[nH+]c(C)c(Cc3ccccc3)c(N)c12 ZINC000012324356 207360557 /nfs/dbraw/zinc/36/05/57/207360557.db2.gz ZCMMMLLAGJQMGV-UHFFFAOYSA-N 1 0 356.473 4.578 50 0 FJAARO O=C(CCC1CC[NH+](C[C@@H]2CC=CCC2)CC1)NCc1cccc(Cl)c1 ZINC000012314742 207358187 /nfs/dbraw/zinc/35/81/87/207358187.db2.gz GWAOZRGPDWLTSL-LJQANCHMSA-N 1 0 374.956 4.805 50 0 FJAARO CCc1c(N)c2c(C)c(C)n(Cc3ccccn3)c2[nH+]c1-c1ccccc1 ZINC000012324663 207361985 /nfs/dbraw/zinc/36/19/85/207361985.db2.gz WHISEONVLBXQPT-UHFFFAOYSA-N 1 0 356.473 4.908 50 0 FJAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000012459440 207381087 /nfs/dbraw/zinc/38/10/87/207381087.db2.gz GJABBEZHXXGTLD-GOSISDBHSA-N 1 0 364.489 4.565 50 0 FJAARO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000012580664 207397444 /nfs/dbraw/zinc/39/74/44/207397444.db2.gz DVUHVMAAXIQTMB-POTYOEOXSA-N 1 0 373.899 4.810 50 0 FJAARO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000012592615 207397598 /nfs/dbraw/zinc/39/75/98/207397598.db2.gz LZKJQCKRGUXTTB-HXUWFJFHSA-N 1 0 365.452 4.520 50 0 FJAARO O=C(CCC1CC[NH+](C2CCSCC2)CC1)Nc1ccccc1Cl ZINC000012588965 207397643 /nfs/dbraw/zinc/39/76/43/207397643.db2.gz VDMWADZGHODMQV-UHFFFAOYSA-N 1 0 366.958 4.666 50 0 FJAARO Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2[NH2+]C1CCSCC1 ZINC000012707906 207407863 /nfs/dbraw/zinc/40/78/63/207407863.db2.gz RVRNGRSHRUUEJS-GOSISDBHSA-N 1 0 355.551 4.679 50 0 FJAARO COc1ccc(C[C@@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c32)c(Cl)c1OC ZINC000013756931 207483352 /nfs/dbraw/zinc/48/33/52/207483352.db2.gz NJLHHCITDFZZSE-KRWDZBQOSA-N 1 0 370.880 4.576 50 0 in-vitro FJAARO Cc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000028288661 207958040 /nfs/dbraw/zinc/95/80/40/207958040.db2.gz PLGBTNHRFYTJIK-QFIPXVFZSA-N 1 0 364.533 4.859 50 0 FJAARO COc1cc(C[NH2+][C@@H]2CCCc3ccccc32)ccc1OCc1ccncc1 ZINC000030543950 208001980 /nfs/dbraw/zinc/00/19/80/208001980.db2.gz TUJKQPJRUQOJMU-JOCHJYFZSA-N 1 0 374.484 4.836 50 0 FJAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000030640346 208003038 /nfs/dbraw/zinc/00/30/38/208003038.db2.gz NJGFPCDDSGZJIF-ZDUSSCGKSA-N 1 0 361.283 4.648 50 0 FJAARO CN1CCC([NH2+]CC[C@@](C)(Cc2cccs2)Cc2ccccc2)CC1 ZINC000031807485 208017487 /nfs/dbraw/zinc/01/74/87/208017487.db2.gz PECWVECODGFOSB-JOCHJYFZSA-N 1 0 356.579 4.614 50 0 FJAARO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018683 208066627 /nfs/dbraw/zinc/06/66/27/208066627.db2.gz SHQKPQDCXALSOT-UHFFFAOYSA-N 1 0 365.473 4.912 50 0 FJAARO CCC[C@H]1C[N@H+](CCCc2ccc(COc3ccccc3)cc2)CCO1 ZINC000034578337 208106252 /nfs/dbraw/zinc/10/62/52/208106252.db2.gz AIBGFONRBUKNGN-QHCPKHFHSA-N 1 0 353.506 4.699 50 0 FJAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000036347566 208154791 /nfs/dbraw/zinc/15/47/91/208154791.db2.gz IBGVGRJUTQRTOY-QHCPKHFHSA-N 1 0 362.473 4.501 50 0 FJAARO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000037560011 208181962 /nfs/dbraw/zinc/18/19/62/208181962.db2.gz WHHKFDNXSCTEPD-UHFFFAOYSA-N 1 0 350.506 4.711 50 0 FJAARO CCc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000037587670 208185046 /nfs/dbraw/zinc/18/50/46/208185046.db2.gz KPBQLZJKMYFBGQ-UHFFFAOYSA-N 1 0 364.533 4.903 50 0 FJAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccncc2)cc1 ZINC000040722046 208263990 /nfs/dbraw/zinc/26/39/90/208263990.db2.gz OCPIICUXQAGFKH-UHFFFAOYSA-N 1 0 352.865 4.912 50 0 FJAARO COc1cc(Cl)cc(C[NH2+]CCc2ccc(F)cc2)c1OC(C)C ZINC000040728346 208264996 /nfs/dbraw/zinc/26/49/96/208264996.db2.gz JXANAHYLHDAEDW-UHFFFAOYSA-N 1 0 351.849 4.607 50 0 FJAARO CC(C)OCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl ZINC000040732102 208265196 /nfs/dbraw/zinc/26/51/96/208265196.db2.gz GSUPJRFDZPKEJX-UHFFFAOYSA-N 1 0 365.876 4.963 50 0 FJAARO Clc1cccc(Cl)c1COc1ccccc1C[NH2+]C[C@H]1CCCO1 ZINC000040731774 208265508 /nfs/dbraw/zinc/26/55/08/208265508.db2.gz XJOCIDXNAPQTHL-OAHLLOKOSA-N 1 0 366.288 4.841 50 0 FJAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]CCCCCO)c1 ZINC000040734976 208265922 /nfs/dbraw/zinc/26/59/22/208265922.db2.gz JUCAPEFANCDSKW-UHFFFAOYSA-N 1 0 363.501 4.979 50 0 FJAARO COc1cc(Br)cc(C[NH2+]Cc2cccs2)c1OC(C)C ZINC000040728496 208266339 /nfs/dbraw/zinc/26/63/39/208266339.db2.gz SGMVYTRBWQSAEV-UHFFFAOYSA-N 1 0 370.312 4.596 50 0 FJAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]C2CCCCCC2)cc1 ZINC000040732844 208266859 /nfs/dbraw/zinc/26/68/59/208266859.db2.gz ZXJGEEULYZJGRN-UHFFFAOYSA-N 1 0 366.505 4.825 50 0 FJAARO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019762350 220294997 /nfs/dbraw/zinc/29/49/97/220294997.db2.gz ROJFBIIHZXHUMJ-UHFFFAOYSA-N 1 0 372.468 4.506 50 0 FJAARO Fc1ccc(C(CCCN2CC[N@@H+]3CCC[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000019782294 220297083 /nfs/dbraw/zinc/29/70/83/220297083.db2.gz IMSNWRMLXLBTEF-JOCHJYFZSA-N 1 0 370.487 4.657 50 0 FJAARO Cc1ccc(C[NH2+]C[C@](O)(c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000020219114 220318097 /nfs/dbraw/zinc/31/80/97/220318097.db2.gz MYNKYKFAAVZKFR-QFIPXVFZSA-N 1 0 351.877 4.674 50 0 FJAARO Cc1ccc(CNc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1 ZINC000020662132 220337482 /nfs/dbraw/zinc/33/74/82/220337482.db2.gz SQGJUBNIIXRWSQ-UHFFFAOYSA-N 1 0 363.852 4.698 50 0 FJAARO CCCOc1cccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)c1 ZINC000021170908 220354521 /nfs/dbraw/zinc/35/45/21/220354521.db2.gz WNFUIMFKTAFMHP-OAQYLSRUSA-N 1 0 372.553 4.736 50 0 FJAARO CCc1ccc(NC(=O)NCC2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000021174998 220355006 /nfs/dbraw/zinc/35/50/06/220355006.db2.gz ZTFVDBDZTDFPQN-UHFFFAOYSA-N 1 0 365.521 4.591 50 0 FJAARO CCCOc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)cc1 ZINC000021170831 220355264 /nfs/dbraw/zinc/35/52/64/220355264.db2.gz BLRLMIHADJKURY-OAQYLSRUSA-N 1 0 372.553 4.736 50 0 FJAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000021720807 220364654 /nfs/dbraw/zinc/36/46/54/220364654.db2.gz RUOLEZRLDKVBDI-IBGZPJMESA-N 1 0 364.493 4.889 50 0 FJAARO CCc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000021719995 220364854 /nfs/dbraw/zinc/36/48/54/220364854.db2.gz OHMJDQCCEOFRNP-LJQANCHMSA-N 1 0 350.466 4.581 50 0 FJAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(OC(C)C)c(OC)c1 ZINC000021720874 220365207 /nfs/dbraw/zinc/36/52/07/220365207.db2.gz BVVORYJYADBAOL-QGZVFWFLSA-N 1 0 358.482 4.678 50 0 FJAARO COc1ccc([C@@H]2CCCN2Cc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000022056201 220375685 /nfs/dbraw/zinc/37/56/85/220375685.db2.gz MMMYQONSGGURPS-IBGZPJMESA-N 1 0 352.409 4.826 50 0 FJAARO COc1ccc([C@H]2CCCN2Cc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000022056205 220375709 /nfs/dbraw/zinc/37/57/09/220375709.db2.gz MMMYQONSGGURPS-LJQANCHMSA-N 1 0 352.409 4.826 50 0 FJAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2Cl)c2cccs2)CC1 ZINC000022680792 220394665 /nfs/dbraw/zinc/39/46/65/220394665.db2.gz ASZOKRSUXYTOHW-KRWDZBQOSA-N 1 0 362.926 4.605 50 0 FJAARO Brc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000022852719 220399930 /nfs/dbraw/zinc/39/99/30/220399930.db2.gz KHPXBRWXMRTKRV-HNNXBMFYSA-N 1 0 370.294 4.705 50 0 FJAARO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OC(F)F ZINC000022771772 220398341 /nfs/dbraw/zinc/39/83/41/220398341.db2.gz ACJCYVLMRZWNHX-UHFFFAOYSA-N 1 0 360.404 4.500 50 0 FJAARO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000022783218 220398537 /nfs/dbraw/zinc/39/85/37/220398537.db2.gz BMXFQJBJIGJRRP-NSHDSACASA-N 1 0 370.276 4.870 50 0 FJAARO COc1cc(C[NH2+]C2CCC(C)CC2)ccc1OCc1c(C)noc1C ZINC000022774093 220398999 /nfs/dbraw/zinc/39/89/99/220398999.db2.gz KPGGPCNGOFSTJF-UHFFFAOYSA-N 1 0 358.482 4.547 50 0 FJAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000022787604 220399338 /nfs/dbraw/zinc/39/93/38/220399338.db2.gz GFCMZVHUPIEGMT-HNNXBMFYSA-N 1 0 351.446 4.716 50 0 FJAARO Fc1ccc(N2CC[C@@H](C[NH2+]Cc3csc4ccccc34)C2)cc1F ZINC000071832876 208784701 /nfs/dbraw/zinc/78/47/01/208784701.db2.gz YXPHJCYIBDJPFO-AWEZNQCLSA-N 1 0 358.457 4.796 50 0 FJAARO FC(F)(F)c1nccc(NC[C@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000091391231 208974941 /nfs/dbraw/zinc/97/49/41/208974941.db2.gz RUCAMUDEANPEFS-MRXNPFEDSA-N 1 0 364.415 4.525 50 0 FJAARO C[N@H+](Cc1ccccc1NC(=O)c1cnc2ccccc2n1)C1CCCCC1 ZINC000040040626 220873365 /nfs/dbraw/zinc/87/33/65/220873365.db2.gz RKTPWKMKPCRJEF-UHFFFAOYSA-N 1 0 374.488 4.647 50 0 FJAARO Brc1cc(-c2ccccc2)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042770527 220941952 /nfs/dbraw/zinc/94/19/52/220941952.db2.gz QEZANUJYXLGNIE-OAHLLOKOSA-N 1 0 360.295 4.885 50 0 FJAARO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000057364749 221087728 /nfs/dbraw/zinc/08/77/28/221087728.db2.gz OPBPNELEYQRZBO-KBPBESRZSA-N 1 0 350.384 4.692 50 0 FJAARO CC1CC[NH+](Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000057427745 221088430 /nfs/dbraw/zinc/08/84/30/221088430.db2.gz VCMZLIHKJNJSQA-UHFFFAOYSA-N 1 0 363.461 4.548 50 0 FJAARO Cn1ccnc1C[N@@H+]1CC[C@@H](c2ccnc(-c3csc4ccccc34)c2)C1 ZINC000065453062 221219753 /nfs/dbraw/zinc/21/97/53/221219753.db2.gz NVGVWCCCMQWSOQ-QGZVFWFLSA-N 1 0 374.513 4.686 50 0 FJAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000065890706 221238075 /nfs/dbraw/zinc/23/80/75/221238075.db2.gz NAPBKVJUEVDSMU-GOSISDBHSA-N 1 0 369.415 4.658 50 0 FJAARO C[C@H](c1ccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)cc1)[NH+](C)C ZINC000067755753 221281745 /nfs/dbraw/zinc/28/17/45/221281745.db2.gz IUJXTCJEMVXBIC-QGZVFWFLSA-N 1 0 371.488 4.611 50 0 FJAARO COc1ccc(O)cc1C[N@@H+]1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071750575 221362067 /nfs/dbraw/zinc/36/20/67/221362067.db2.gz JFZPWDDRDDXLAX-OAHLLOKOSA-N 1 0 361.432 4.524 50 0 FJAARO CC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000095518213 209070327 /nfs/dbraw/zinc/07/03/27/209070327.db2.gz DNKXRTOKBQKQDM-NRFANRHFSA-N 1 0 366.509 4.683 50 0 FJAARO CCC(CC)[NH+]1CCC2(CC1)Nc1ccccc1N(CC(C)(C)C)C2=O ZINC000063834250 136133006 /nfs/dbraw/zinc/13/30/06/136133006.db2.gz CQGIJPNIWZYAPL-UHFFFAOYSA-N 1 0 357.542 4.514 50 0 FJAARO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)C1 ZINC000096163147 222062706 /nfs/dbraw/zinc/06/27/06/222062706.db2.gz OYNGRBLYDJPGEN-HNNXBMFYSA-N 1 0 357.885 4.600 50 0 FJAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccoc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000011817956 263368090 /nfs/dbraw/zinc/36/80/90/263368090.db2.gz SRDWQUPMKLKIEU-LJQANCHMSA-N 1 0 374.484 4.589 50 0 FJAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000011816937 263368350 /nfs/dbraw/zinc/36/83/50/263368350.db2.gz MCLPRWXFNACTQC-INIZCTEOSA-N 1 0 360.498 4.827 50 0 FJAARO Cc1ccc(-c2nc(CN(C)Cc3c(C)nc4ccccn43)c(C)o2)s1 ZINC000019744695 263375550 /nfs/dbraw/zinc/37/55/50/263375550.db2.gz NYXPICRYMHYHJT-UHFFFAOYSA-N 1 0 366.490 4.608 50 0 FJAARO CCN(Cc1ccc(C)o1)C(=O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000426530769 263621477 /nfs/dbraw/zinc/62/14/77/263621477.db2.gz HUWIJJZTMMGCSG-UHFFFAOYSA-N 1 0 354.494 4.626 50 0 FJAARO CCCOc1c(C[NH2+]Cc2ccccc2)cc(Br)cc1OC ZINC000020934035 520292168 /nfs/dbraw/zinc/29/21/68/520292168.db2.gz ZOLHCADNYLUBCH-UHFFFAOYSA-N 1 0 364.283 4.536 50 0 FJAARO CCCOc1c(Br)cc(C[NH2+]Cc2ccccc2)cc1OC ZINC000020932673 520292337 /nfs/dbraw/zinc/29/23/37/520292337.db2.gz RZKSKZNHOPKWEY-UHFFFAOYSA-N 1 0 364.283 4.536 50 0 FJAARO CCCOc1ccc(Br)cc1C[NH2+]CCc1ccccc1F ZINC000020929319 520325913 /nfs/dbraw/zinc/32/59/13/520325913.db2.gz JOCIREPEUBXAED-UHFFFAOYSA-N 1 0 366.274 4.709 50 0 FJAARO CCCCOc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1 ZINC000020868986 520864841 /nfs/dbraw/zinc/86/48/41/520864841.db2.gz MSPGZFMGRLJTIY-OAQYLSRUSA-N 1 0 372.553 4.736 50 0 FJAARO CCCCOc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)cc1 ZINC000020868989 520865604 /nfs/dbraw/zinc/86/56/04/520865604.db2.gz MSPGZFMGRLJTIY-NRFANRHFSA-N 1 0 372.553 4.736 50 0 FJAARO CCc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000241161311 521755465 /nfs/dbraw/zinc/75/54/65/521755465.db2.gz JZVCCBCXJOFARS-XMSQKQJNSA-N 1 0 365.521 4.623 50 0 FJAARO C[C@@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1cccc(Br)c1 ZINC000089905152 525550374 /nfs/dbraw/zinc/55/03/74/525550374.db2.gz CUGVIBJJOJYWDL-ABAIWWIYSA-N 1 0 367.312 4.608 50 0 FJAARO Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2C)c2ccccc2)cc1 ZINC000239338774 525978946 /nfs/dbraw/zinc/97/89/46/525978946.db2.gz LERYTJDQPQZGPA-OTUUDDROSA-N 1 0 367.533 4.630 50 0 FJAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000078282215 526249826 /nfs/dbraw/zinc/24/98/26/526249826.db2.gz LYLIMNXRRNEDBX-KGLIPLIRSA-N 1 0 361.283 4.517 50 0 FJAARO O[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1 ZINC000020476837 526278884 /nfs/dbraw/zinc/27/88/84/526278884.db2.gz RRYFSAQYPWNXIQ-OAQYLSRUSA-N 1 0 367.876 4.742 50 0 FJAARO O=C([C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1ccsc1)N1CCCCC1 ZINC000240551661 526454391 /nfs/dbraw/zinc/45/43/91/526454391.db2.gz GVGKJNZXCGGJJL-VQTJNVASSA-N 1 0 354.519 4.639 50 0 FJAARO c1ccc(COc2ccc(OCC[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020323603 526474045 /nfs/dbraw/zinc/47/40/45/526474045.db2.gz RXZFUYXPGMSFIK-UHFFFAOYSA-N 1 0 359.469 4.703 50 0 FJAARO O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1ccsc1)N1CCCCC1 ZINC000240551660 526523374 /nfs/dbraw/zinc/52/33/74/526523374.db2.gz GVGKJNZXCGGJJL-PMACEKPBSA-N 1 0 354.519 4.639 50 0 FJAARO CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)[NH3+])CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000257347831 527117949 /nfs/dbraw/zinc/11/79/49/527117949.db2.gz VJYVCSBIXCOHFV-GUCOKAMLSA-N 1 0 361.570 4.924 50 0 FJAARO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000020514070 527310072 /nfs/dbraw/zinc/31/00/72/527310072.db2.gz HWLHOXUQGSEEGD-UHFFFAOYSA-N 1 0 374.484 4.840 50 0 FJAARO Cc1ccc(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000084133442 537700598 /nfs/dbraw/zinc/70/05/98/537700598.db2.gz VYLMWEABEGEBJB-OALUTQOASA-N 1 0 365.521 4.582 50 0 FJAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N(Cc1cccc(Cl)c1)C1CC1 ZINC000215103684 568051957 /nfs/dbraw/zinc/05/19/57/568051957.db2.gz PTZPWIYVMQSNGB-IBGZPJMESA-N 1 0 368.908 4.612 50 0 FJAARO Oc1cccc(C2CC[NH+](Cc3cnc(C4CCCCC4)nc3)CC2)c1 ZINC000215688128 568083837 /nfs/dbraw/zinc/08/38/37/568083837.db2.gz DLSXVPHOMJHOAI-UHFFFAOYSA-N 1 0 351.494 4.610 50 0 FJAARO OC(c1cccc(Cl)c1)(c1cccc(Cl)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000000717122 568127550 /nfs/dbraw/zinc/12/75/50/568127550.db2.gz LLAWTBLIBJUONA-IBGZPJMESA-N 1 0 362.300 4.571 50 0 FJAARO CCN(Cc1c(F)cccc1Cl)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095377875 570457879 /nfs/dbraw/zinc/45/78/79/570457879.db2.gz UYUYPNXKRVKVOU-QGZVFWFLSA-N 1 0 374.887 4.608 50 0 FJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Br)c1 ZINC000002514504 570523386 /nfs/dbraw/zinc/52/33/86/570523386.db2.gz UXZNNOKIXLKJBA-UHFFFAOYSA-N 1 0 358.279 4.666 50 0 FJAARO CN(C(=O)OCc1ccccc1)[C@H](C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000002580967 570525821 /nfs/dbraw/zinc/52/58/21/570525821.db2.gz NKFRUBGRRCMOOP-HXUWFJFHSA-N 1 0 372.896 4.746 50 0 FJAARO CCn1c2ccccc2c2cc(C[NH2+]Cc3ccc4c(c3)OCO4)ccc21 ZINC000002746818 570529912 /nfs/dbraw/zinc/52/99/12/570529912.db2.gz YTSINFAHHBQRPJ-UHFFFAOYSA-N 1 0 358.441 4.833 50 0 FJAARO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000034682758 570531652 /nfs/dbraw/zinc/53/16/52/570531652.db2.gz IDYHGXREZVOGHQ-UHFFFAOYSA-N 1 0 360.498 4.685 50 0 FJAARO CCCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000034682999 570532216 /nfs/dbraw/zinc/53/22/16/570532216.db2.gz VNRSRSIRBIWQJN-UHFFFAOYSA-N 1 0 356.535 4.854 50 0 FJAARO Fc1ccc(-c2ccc(C[NH2+]CCc3nc4ccccc4[nH]3)o2)cc1Cl ZINC000113398711 570544265 /nfs/dbraw/zinc/54/42/65/570544265.db2.gz CRAVQHUIZOWVCK-UHFFFAOYSA-N 1 0 369.827 4.948 50 0 FJAARO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000033526445 570558642 /nfs/dbraw/zinc/55/86/42/570558642.db2.gz QWQRGWMBWMYNRI-WTIAFYNJSA-N 1 0 373.581 4.533 50 0 FJAARO CC[NH+](CC)CCN(C(=O)c1ccccc1)c1nc2ccc(C)cc2s1 ZINC000005121759 570587491 /nfs/dbraw/zinc/58/74/91/570587491.db2.gz KIGLFGUADGIRDK-UHFFFAOYSA-N 1 0 367.518 4.593 50 0 FJAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1cccc(Cl)c1 ZINC000004384965 570588963 /nfs/dbraw/zinc/58/89/63/570588963.db2.gz MCMRMQBQACIYAS-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO C[C@H](C(=O)Nc1c(F)cccc1F)N1CCC(CCc2ccccc2)CC1 ZINC000011720562 570592630 /nfs/dbraw/zinc/59/26/30/570592630.db2.gz SORXNPAFAOYAEW-MRXNPFEDSA-N 1 0 372.459 4.637 50 0 FJAARO CCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)c1 ZINC000011917274 570601768 /nfs/dbraw/zinc/60/17/68/570601768.db2.gz OGUASRAWFKJTDS-HXUWFJFHSA-N 1 0 374.912 4.552 50 0 FJAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000004745065 570604516 /nfs/dbraw/zinc/60/45/16/570604516.db2.gz IVSOCRIDXMJPBC-QHCPKHFHSA-N 1 0 372.512 4.710 50 0 FJAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc(-c4ccccc4C)cc3)[C@H]2C1 ZINC000426490296 570607735 /nfs/dbraw/zinc/60/77/35/570607735.db2.gz ZJFVEDUPUMGRLA-OEMFJLHTSA-N 1 0 365.517 4.820 50 0 FJAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000004980298 570615709 /nfs/dbraw/zinc/61/57/09/570615709.db2.gz TXPIKTHCMKXRPK-OAHLLOKOSA-N 1 0 366.402 4.598 50 0 FJAARO CC(C)(C)c1cc(-n2ccnc2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000005208980 570622228 /nfs/dbraw/zinc/62/22/28/570622228.db2.gz HLMIJACSQWNLMQ-UHFFFAOYSA-N 1 0 351.841 4.533 50 0 FJAARO O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000253418893 570625662 /nfs/dbraw/zinc/62/56/62/570625662.db2.gz DCAXHAMYUUUKBK-YSIASYRMSA-N 1 0 374.525 4.855 50 0 FJAARO COc1ccc2[nH]cc(C3CC[NH+](Cc4ccncc4Cl)CC3)c2c1 ZINC000075647215 570632860 /nfs/dbraw/zinc/63/28/60/570632860.db2.gz OUXTTXYFIZIZBA-UHFFFAOYSA-N 1 0 355.869 4.605 50 0 FJAARO CCC(C)(C)[C@H]1CCc2sc3ncnc(NCCC[NH+](C)C)c3c2C1 ZINC000002364909 570644943 /nfs/dbraw/zinc/64/49/43/570644943.db2.gz MDOXNSHZOAMVCC-AWEZNQCLSA-N 1 0 360.571 4.596 50 0 FJAARO C[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000002735140 570669722 /nfs/dbraw/zinc/66/97/22/570669722.db2.gz MRGJXMGXQNYXHC-IBGZPJMESA-N 1 0 362.517 4.690 50 0 FJAARO C[NH+](C)C[C@@H]1CCCC[C@H]1[C@]1(O)c2ccsc2SCc2ccccc21 ZINC000005557607 570672289 /nfs/dbraw/zinc/67/22/89/570672289.db2.gz YKADOOIFTVIBPM-LUQKVYGDSA-N 1 0 373.587 4.958 50 0 FJAARO COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1OCc1ccccc1 ZINC000008495504 570682588 /nfs/dbraw/zinc/68/25/88/570682588.db2.gz WIWJTGGVKNLIAY-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO Cc1c(C[NH2+]C(C)(C)CO)c2ccccc2n1Cc1ccccc1Cl ZINC000010315498 570699913 /nfs/dbraw/zinc/69/99/13/570699913.db2.gz IKGFXPIAIUIVIB-UHFFFAOYSA-N 1 0 356.897 4.512 50 0 FJAARO CCCC[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000010435752 570700799 /nfs/dbraw/zinc/70/07/99/570700799.db2.gz NKTDOZKOECLGOM-UHFFFAOYSA-N 1 0 365.109 4.500 50 0 FJAARO Cc1ccc(C)c(-n2cc(C[NH2+]Cc3cccnc3)c(-c3ccccc3)n2)c1 ZINC000011820554 570708440 /nfs/dbraw/zinc/70/84/40/570708440.db2.gz RCJZHECAVNRLRA-UHFFFAOYSA-N 1 0 368.484 4.841 50 0 FJAARO O=C(CC1CCCCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000011839158 570708768 /nfs/dbraw/zinc/70/87/68/570708768.db2.gz QYOMXJROUKYIGI-HSZRJFAPSA-N 1 0 372.528 4.611 50 0 FJAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000011842301 570709165 /nfs/dbraw/zinc/70/91/65/570709165.db2.gz IDUKTILQISADCC-QHCPKHFHSA-N 1 0 364.533 4.522 50 0 FJAARO CC(C)C[NH+]1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000012206523 570727585 /nfs/dbraw/zinc/72/75/85/570727585.db2.gz WFFLUVQMVCZWPG-UHFFFAOYSA-N 1 0 354.469 4.799 50 0 FJAARO O=C1CC[C@@H]([N@@H+]2CC[C@@H]3CCCC[C@H]3C2)CCN1Cc1ccccc1Cl ZINC000012218122 570727993 /nfs/dbraw/zinc/72/79/93/570727993.db2.gz JSYSWNKHUVBVIV-CMKODMSKSA-N 1 0 374.956 4.733 50 0 FJAARO Fc1ccccc1-n1ncc2c1CCC[C@H]2[NH2+]Cc1cccc2cnccc21 ZINC000012313989 570735796 /nfs/dbraw/zinc/73/57/96/570735796.db2.gz GCVZUSNBKMBZMD-OAQYLSRUSA-N 1 0 372.447 4.727 50 0 FJAARO CSC[C@H](C)[NH+]1CCC(CCC(=O)Nc2ccccc2Cl)CC1 ZINC000012385834 570741404 /nfs/dbraw/zinc/74/14/04/570741404.db2.gz VZZRQVYHPTUWFU-AWEZNQCLSA-N 1 0 354.947 4.522 50 0 FJAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](C2CCC2)CC1 ZINC000012430263 570744047 /nfs/dbraw/zinc/74/40/47/570744047.db2.gz VNKOAKZSRZKMAI-UHFFFAOYSA-N 1 0 368.452 4.821 50 0 FJAARO CCC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000012457526 570747033 /nfs/dbraw/zinc/74/70/33/570747033.db2.gz DCKOTCZFEBVQEA-UHFFFAOYSA-N 1 0 356.441 4.679 50 0 FJAARO O=C(Nc1cccc(C[NH2+]Cc2ccccc2)c1)c1ccccc1Cl ZINC000017309832 570748937 /nfs/dbraw/zinc/74/89/37/570748937.db2.gz JIQZILVFJJNQOM-UHFFFAOYSA-N 1 0 350.849 4.882 50 0 FJAARO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCCC[C@H]3C)c2)cc1 ZINC000017311180 570749257 /nfs/dbraw/zinc/74/92/57/570749257.db2.gz ZSIAIRUKTYEKAC-IIBYNOLFSA-N 1 0 352.478 4.616 50 0 FJAARO C[N@H+](Cc1ccccc1NCC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000007977091 570765860 /nfs/dbraw/zinc/76/58/60/570765860.db2.gz IEAVXFPBFLSDIE-UHFFFAOYSA-N 1 0 369.484 4.641 50 0 FJAARO Cc1ccc2c(C[N@H+](C)CCOc3ccccc3Cl)cc(=O)oc2c1C ZINC000012995007 570771259 /nfs/dbraw/zinc/77/12/59/570771259.db2.gz NPYKCEQUQCWLPM-UHFFFAOYSA-N 1 0 371.864 4.574 50 0 FJAARO Cc1ccc(N2[C@@H]3CCCCC[N@@H+]3C[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000013301687 570776287 /nfs/dbraw/zinc/77/62/87/570776287.db2.gz QKBJYJLZSLIWFC-NHCUHLMSSA-N 1 0 356.897 4.516 50 0 FJAARO CCC[C@]1(O)C[C@H](c2ccc(OC)cc2)[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]1C ZINC000013574134 570779683 /nfs/dbraw/zinc/77/96/83/570779683.db2.gz XVMYIMXBHZVAHC-PARPOCPVSA-N 1 0 369.505 4.647 50 0 FJAARO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000013720258 570786382 /nfs/dbraw/zinc/78/63/82/570786382.db2.gz LWXFEJOPIFXEGI-UHFFFAOYSA-N 1 0 363.457 4.573 50 0 FJAARO CCOc1ccc(Br)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000013721176 570786732 /nfs/dbraw/zinc/78/67/32/570786732.db2.gz CAVYYCLNDYDLON-UHFFFAOYSA-N 1 0 368.702 4.834 50 0 FJAARO CCOc1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(Cl)c1OC ZINC000013721205 570786779 /nfs/dbraw/zinc/78/67/79/570786779.db2.gz AFBITDJNCKXIAY-UHFFFAOYSA-N 1 0 354.277 4.733 50 0 FJAARO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000006882509 570787583 /nfs/dbraw/zinc/78/75/83/570787583.db2.gz UVKVMPYLSIWFBZ-UHFFFAOYSA-N 1 0 351.849 4.955 50 0 FJAARO OCCCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013726966 570787674 /nfs/dbraw/zinc/78/76/74/570787674.db2.gz DVRRUZHRCBHGBQ-UHFFFAOYSA-N 1 0 368.304 4.825 50 0 FJAARO Brc1ccc(-c2ccc(C[NH2+]C3CC3)o2)c(Br)c1 ZINC000013730733 570788117 /nfs/dbraw/zinc/78/81/17/570788117.db2.gz ZGEVUEIYMXLJRK-UHFFFAOYSA-N 1 0 371.072 4.724 50 0 FJAARO COCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000008469032 570796033 /nfs/dbraw/zinc/79/60/33/570796033.db2.gz YKXHOMRZNXJMCU-UHFFFAOYSA-N 1 0 355.865 4.808 50 0 FJAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000032833411 570819148 /nfs/dbraw/zinc/81/91/48/570819148.db2.gz FZHSLHSNNVHDAI-MRXNPFEDSA-N 1 0 350.462 4.766 50 0 FJAARO C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000032904218 570843015 /nfs/dbraw/zinc/84/30/15/570843015.db2.gz OXOXYDWEGJJKNN-GOSISDBHSA-N 1 0 366.505 4.857 50 0 FJAARO Cc1ccc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1 ZINC000019300636 570885216 /nfs/dbraw/zinc/88/52/16/570885216.db2.gz OBANDSKBWSHPTK-IBGZPJMESA-N 1 0 353.441 4.716 50 0 FJAARO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000019594928 570895810 /nfs/dbraw/zinc/89/58/10/570895810.db2.gz PFTLAYPVEAWDQL-OAHLLOKOSA-N 1 0 371.406 4.874 50 0 FJAARO c1ccc(CN2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 ZINC000019608704 570896246 /nfs/dbraw/zinc/89/62/46/570896246.db2.gz IJKAWMZEORTLJE-UHFFFAOYSA-N 1 0 354.497 4.576 50 0 FJAARO COc1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c2ccccc12 ZINC000019634676 570896446 /nfs/dbraw/zinc/89/64/46/570896446.db2.gz LLJDFCUUSWGPMJ-UHFFFAOYSA-N 1 0 360.501 4.787 50 0 FJAARO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000044935021 570903250 /nfs/dbraw/zinc/90/32/50/570903250.db2.gz OQNSNHSNOWRHEE-LJQANCHMSA-N 1 0 350.506 4.780 50 0 FJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC2CCCC2)cc1 ZINC000019874273 570905482 /nfs/dbraw/zinc/90/54/82/570905482.db2.gz ACQNYUPPSLAKBX-QFIPXVFZSA-N 1 0 362.473 4.733 50 0 FJAARO CC[NH+]1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000019902627 570905810 /nfs/dbraw/zinc/90/58/10/570905810.db2.gz MPSRXGBBGHMKMG-QFIPXVFZSA-N 1 0 367.924 4.857 50 0 FJAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000021720029 570933256 /nfs/dbraw/zinc/93/32/56/570933256.db2.gz PUUGHWNISNBGSP-IBGZPJMESA-N 1 0 350.466 4.635 50 0 FJAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000021720808 570934016 /nfs/dbraw/zinc/93/40/16/570934016.db2.gz RUOLEZRLDKVBDI-LJQANCHMSA-N 1 0 364.493 4.889 50 0 FJAARO COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CO)oc(C)c2-c1ccccc1 ZINC000022077698 570938957 /nfs/dbraw/zinc/93/89/57/570938957.db2.gz VXAVILQUDIBJRH-LJQANCHMSA-N 1 0 365.473 4.764 50 0 FJAARO CN(C)CC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022075227 570939054 /nfs/dbraw/zinc/93/90/54/570939054.db2.gz RCZYWTMVKJHSEQ-UHFFFAOYSA-N 1 0 368.908 4.723 50 0 FJAARO CCC1CCC([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)CC1 ZINC000023280215 570961047 /nfs/dbraw/zinc/96/10/47/570961047.db2.gz JHKQKJRQMAFELF-UHFFFAOYSA-N 1 0 366.343 4.701 50 0 FJAARO Cc1ccccc1-c1cccc(N2CCC([NH2+]C[C@H]3CCCOC3)CC2)c1 ZINC000023368115 570962157 /nfs/dbraw/zinc/96/21/57/570962157.db2.gz HKAULDVXNZREEO-HXUWFJFHSA-N 1 0 364.533 4.647 50 0 FJAARO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCc2ccccc2)c1 ZINC000023909335 570968925 /nfs/dbraw/zinc/96/89/25/570968925.db2.gz NIGXAINVWUMDEE-UHFFFAOYSA-N 1 0 373.525 4.992 50 0 FJAARO Cc1sc2ncnc(NCc3ccccc3C[NH+]3CCCC3)c2c1C ZINC000024972819 570987422 /nfs/dbraw/zinc/98/74/22/570987422.db2.gz NZXRXMANDPRWAR-UHFFFAOYSA-N 1 0 352.507 4.516 50 0 FJAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000025806704 571000629 /nfs/dbraw/zinc/00/06/29/571000629.db2.gz KVGAIKHSFGMHDV-UHFFFAOYSA-N 1 0 371.406 4.576 50 0 FJAARO Cc1ccc([C@H](CNC(=O)c2ccccc2C)[NH+]2CCCCCC2)cc1 ZINC000027584309 571015225 /nfs/dbraw/zinc/01/52/25/571015225.db2.gz IPHKJQRZUSNPJZ-QFIPXVFZSA-N 1 0 350.506 4.651 50 0 FJAARO Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCCCC2)cc1 ZINC000027584373 571015738 /nfs/dbraw/zinc/01/57/38/571015738.db2.gz GIVQCXMARKTINJ-NRFANRHFSA-N 1 0 370.924 4.996 50 0 FJAARO CCC(CC)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027664252 571018133 /nfs/dbraw/zinc/01/81/33/571018133.db2.gz MSUUIDWSCUEUBI-IBGZPJMESA-N 1 0 350.934 4.810 50 0 FJAARO Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCCC2)c1 ZINC000027749359 571020698 /nfs/dbraw/zinc/02/06/98/571020698.db2.gz LRKCBFPBUHVCBQ-NRFANRHFSA-N 1 0 370.924 4.996 50 0 FJAARO Cc1ccccc1C(OC[C@H](O)C[N@H+]1CCCC[C@@H]1C)c1ccccc1C ZINC000028221127 571028408 /nfs/dbraw/zinc/02/84/08/571028408.db2.gz QHNFFQDJTAIQCO-LEWJYISDSA-N 1 0 367.533 4.645 50 0 FJAARO CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000028290428 571029936 /nfs/dbraw/zinc/02/99/36/571029936.db2.gz AKCGMGLNUUYDRB-IBGZPJMESA-N 1 0 354.494 4.534 50 0 FJAARO Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000028292916 571030842 /nfs/dbraw/zinc/03/08/42/571030842.db2.gz DKNBTAPJKNEOKV-KRWDZBQOSA-N 1 0 368.502 4.678 50 0 FJAARO Cc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000072280558 571034815 /nfs/dbraw/zinc/03/48/15/571034815.db2.gz XEWXZPDDAQHTGN-SFHVURJKSA-N 1 0 365.521 4.857 50 0 FJAARO C[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000029483813 571040088 /nfs/dbraw/zinc/04/00/88/571040088.db2.gz ZMMQWUXRVRSBCE-DEOSSOPVSA-N 1 0 370.496 4.835 50 0 FJAARO C[N@H+](CC(=O)Nc1ccccc1SC(F)F)[C@@H]1CCc2ccccc21 ZINC000029487171 571040807 /nfs/dbraw/zinc/04/08/07/571040807.db2.gz CNOBJZSBJAASGU-MRXNPFEDSA-N 1 0 362.445 4.559 50 0 FJAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1ccc(F)c(C)c1 ZINC000029656761 571042522 /nfs/dbraw/zinc/04/25/22/571042522.db2.gz RLNIJCSVIZBHNV-UHFFFAOYSA-N 1 0 351.469 4.594 50 0 FJAARO Clc1ccc([C@@H]([NH2+]Cc2cccc(Cn3cccn3)c2)C2CC2)cc1 ZINC000225546299 571044808 /nfs/dbraw/zinc/04/48/08/571044808.db2.gz CSAJMZJGYZXHJX-NRFANRHFSA-N 1 0 351.881 4.826 50 0 FJAARO Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C[NH+]1CCCCC1 ZINC000008572520 571050521 /nfs/dbraw/zinc/05/05/21/571050521.db2.gz LYVXPARJZOKNOO-UHFFFAOYSA-N 1 0 362.473 4.814 50 0 FJAARO CC[NH+](CC)Cc1c(C)[nH]c2ccc(OCc3ccccc3)cc2c1=O ZINC000008571822 571050536 /nfs/dbraw/zinc/05/05/36/571050536.db2.gz BIRSFLKKUBGHSS-UHFFFAOYSA-N 1 0 350.462 4.670 50 0 FJAARO c1ccc(-c2[nH]c3ccccc3c2C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000008704679 571055797 /nfs/dbraw/zinc/05/57/97/571055797.db2.gz GCBUUFBVJVHSHT-UHFFFAOYSA-N 1 0 368.484 4.552 50 0 FJAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(N(CC)CC)cc2c1=O ZINC000008717369 571057082 /nfs/dbraw/zinc/05/70/82/571057082.db2.gz OHEYTYLJKWSRBY-KRWDZBQOSA-N 1 0 355.526 4.860 50 0 FJAARO [NH2+]=C1N[C@H](c2ccccc2)[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)S1 ZINC000001272998 571069683 /nfs/dbraw/zinc/06/96/83/571069683.db2.gz PHFAMCRUQQSHQC-CTNGQTDRSA-N 1 0 358.466 4.708 50 0 FJAARO O[C@@H](C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000040050391 571070139 /nfs/dbraw/zinc/07/01/39/571070139.db2.gz KWMNCKCOOLDATE-YJBOKZPZSA-N 1 0 372.921 4.863 50 0 FJAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000035805133 571078645 /nfs/dbraw/zinc/07/86/45/571078645.db2.gz DYDSTKXDBDQODO-CQSZACIVSA-N 1 0 353.293 4.827 50 0 FJAARO Cc1ccccc1C(OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C)c1ccccc1C ZINC000040506056 571091698 /nfs/dbraw/zinc/09/16/98/571091698.db2.gz QHNFFQDJTAIQCO-SFTDATJTSA-N 1 0 367.533 4.645 50 0 FJAARO C[NH2+]CCCNCc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040720159 571092047 /nfs/dbraw/zinc/09/20/47/571092047.db2.gz SYLIMVUJXQYTPE-UHFFFAOYSA-N 1 0 368.908 4.771 50 0 FJAARO C[NH+](C)CCCNCc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040720329 571092348 /nfs/dbraw/zinc/09/23/48/571092348.db2.gz MMHKRXKFGGEEBP-UHFFFAOYSA-N 1 0 367.320 4.614 50 0 FJAARO CCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccc(C)cc1 ZINC000040722033 571092806 /nfs/dbraw/zinc/09/28/06/571092806.db2.gz QKHALBLRBVGFDU-UHFFFAOYSA-N 1 0 362.473 4.658 50 0 FJAARO CSc1ccc(Cl)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000012774138 571092962 /nfs/dbraw/zinc/09/29/62/571092962.db2.gz GOSDAHKQWNLSLG-UHFFFAOYSA-N 1 0 374.937 4.588 50 0 FJAARO OCCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040728069 571093561 /nfs/dbraw/zinc/09/35/61/571093561.db2.gz HPEDHJHHMWZYFI-UHFFFAOYSA-N 1 0 368.304 4.825 50 0 FJAARO COc1cc(C[NH2+]CCc2ccccc2F)cc(Cl)c1OC(C)C ZINC000040729405 571094041 /nfs/dbraw/zinc/09/40/41/571094041.db2.gz QAGKAXSWRWXVLD-UHFFFAOYSA-N 1 0 351.849 4.607 50 0 FJAARO CCOCCC[NH2+]Cc1ccccc1OCc1c(F)cccc1Cl ZINC000040732193 571094390 /nfs/dbraw/zinc/09/43/90/571094390.db2.gz OROQVDKZJYZERB-UHFFFAOYSA-N 1 0 351.849 4.574 50 0 FJAARO CCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1cccc(C)c1 ZINC000040736568 571094787 /nfs/dbraw/zinc/09/47/87/571094787.db2.gz XQUUZRASRRZZHO-UHFFFAOYSA-N 1 0 351.446 4.856 50 0 FJAARO Cc1ccc(C[NH2+]Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000040733120 571094807 /nfs/dbraw/zinc/09/48/07/571094807.db2.gz MJGGIMILUFLBDQ-UHFFFAOYSA-N 1 0 374.484 4.611 50 0 FJAARO Cc1cccc(COc2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)c1 ZINC000040738121 571095279 /nfs/dbraw/zinc/09/52/79/571095279.db2.gz NJHQHAGVEOKBML-UHFFFAOYSA-N 1 0 361.441 4.593 50 0 FJAARO Clc1cccc(Cl)c1COc1cccc(C[NH2+]C[C@H]2CCCO2)c1 ZINC000040738415 571095334 /nfs/dbraw/zinc/09/53/34/571095334.db2.gz AZBHZVVLTLOLRT-MRXNPFEDSA-N 1 0 366.288 4.841 50 0 FJAARO CCc1ccccc1NC(=S)N1CCC([N@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000245343096 571097874 /nfs/dbraw/zinc/09/78/74/571097874.db2.gz FJNBWAUXMMDIAO-DYESRHJHSA-N 1 0 373.610 4.921 50 0 FJAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=S)Nc2cccc(Cl)c2)C1 ZINC000013524044 571103762 /nfs/dbraw/zinc/10/37/62/571103762.db2.gz UEAXCDRBRBTKKU-HOTGVXAUSA-N 1 0 373.953 4.710 50 0 FJAARO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000070021873 571108113 /nfs/dbraw/zinc/10/81/13/571108113.db2.gz ZIMWGAHRCXWBFY-LJQANCHMSA-N 1 0 362.489 4.610 50 0 FJAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)c2scc3c2CCCC3)cc1 ZINC000244724192 571115530 /nfs/dbraw/zinc/11/55/30/571115530.db2.gz MPMPRAALIOVMEO-HXUWFJFHSA-N 1 0 368.546 4.666 50 0 FJAARO Cc1ccccc1[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccncc1 ZINC000055569073 571121002 /nfs/dbraw/zinc/12/10/02/571121002.db2.gz USIBCNBUUCZPEZ-HSZRJFAPSA-N 1 0 372.447 4.798 50 0 FJAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000003589052 571121123 /nfs/dbraw/zinc/12/11/23/571121123.db2.gz PIWNHRLQWBDFSI-JKSUJKDBSA-N 1 0 357.885 4.545 50 0 FJAARO Cc1nc2sc3c(c2c(NC[C@@H](c2cccs2)[NH+](C)C)n1)CCCC3 ZINC000058164891 571126703 /nfs/dbraw/zinc/12/67/03/571126703.db2.gz CCRYGIIIDPKWFM-AWEZNQCLSA-N 1 0 372.563 4.655 50 0 FJAARO CC(C)n1nc(C[NH2+]CCc2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000248021540 571127421 /nfs/dbraw/zinc/12/74/21/571127421.db2.gz UTFJRGFLKQNRDB-UHFFFAOYSA-N 1 0 354.885 4.512 50 0 FJAARO CCCC[NH2+]Cc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000248240321 571128787 /nfs/dbraw/zinc/12/87/87/571128787.db2.gz ODPDJIJVPWNCSA-UHFFFAOYSA-N 1 0 372.875 4.676 50 0 FJAARO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc2ncccc21)c1ccsc1 ZINC000058268979 571130202 /nfs/dbraw/zinc/13/02/02/571130202.db2.gz LZQXAKDURHFEHZ-LJQANCHMSA-N 1 0 368.506 4.501 50 0 FJAARO Cc1cccc(C[N@H+]2CC=C(C(=O)Nc3cccc(Cl)c3C)CC2)c1 ZINC000015861052 571138500 /nfs/dbraw/zinc/13/85/00/571138500.db2.gz FQSJZHAAFXWUOF-UHFFFAOYSA-N 1 0 354.881 4.728 50 0 FJAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000020734812 571143691 /nfs/dbraw/zinc/14/36/91/571143691.db2.gz PIWNHRLQWBDFSI-HOTGVXAUSA-N 1 0 357.885 4.545 50 0 FJAARO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000065499200 571144233 /nfs/dbraw/zinc/14/42/33/571144233.db2.gz NSTAJWJTVZYFLR-MRXNPFEDSA-N 1 0 363.436 4.666 50 0 FJAARO O=C(C[NH2+]Cc1cccc2ccccc21)Nc1cccc(Cl)c1Cl ZINC000052537494 571146459 /nfs/dbraw/zinc/14/64/59/571146459.db2.gz PJWLZPYNBNKXNV-UHFFFAOYSA-N 1 0 359.256 4.875 50 0 FJAARO [NH3+]Cc1ccc(Oc2ccc(Cl)c(CN3CCCC3)c2Cl)cc1 ZINC000067894324 571151455 /nfs/dbraw/zinc/15/14/55/571151455.db2.gz JOUBNTKWCYPUIS-UHFFFAOYSA-N 1 0 351.277 4.840 50 0 FJAARO CS[C@@H](C)CC[N@@H+]1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067946259 571152068 /nfs/dbraw/zinc/15/20/68/571152068.db2.gz GSBLTAPRIGYYHU-ZDUSSCGKSA-N 1 0 363.548 4.765 50 0 FJAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@@H]3C)CC2)c(C)c1 ZINC000004668303 571156240 /nfs/dbraw/zinc/15/62/40/571156240.db2.gz YYOPNVHKWFFAIH-UWJYYQICSA-N 1 0 373.610 4.975 50 0 FJAARO Cc1cccc(C)c1NC(=S)N1CCC([N@@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000004668297 571156294 /nfs/dbraw/zinc/15/62/94/571156294.db2.gz RYBGAQLHHAIQKB-OXJNMPFZSA-N 1 0 373.610 4.975 50 0 FJAARO Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000071375997 571160933 /nfs/dbraw/zinc/16/09/33/571160933.db2.gz QYDWKBCTLIGSNZ-GOSISDBHSA-N 1 0 354.519 4.568 50 0 FJAARO Cc1nc(C[N@@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)co1 ZINC000071439984 571161860 /nfs/dbraw/zinc/16/18/60/571161860.db2.gz TZFQPTDWSHHMNU-HNNXBMFYSA-N 1 0 352.400 4.847 50 0 FJAARO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)C1CCCC1 ZINC000071769316 571166284 /nfs/dbraw/zinc/16/62/84/571166284.db2.gz LAUAHIVTDOZZLW-GOTSBHOMSA-N 1 0 363.501 4.778 50 0 FJAARO CC[NH+](CC)CCN1c2ccccc2S[C@@H](c2ccccc2)CC1=O ZINC000071770232 571166323 /nfs/dbraw/zinc/16/63/23/571166323.db2.gz HEOHNSKXQPODRH-HXUWFJFHSA-N 1 0 354.519 4.599 50 0 FJAARO C[n+]1c(-c2ccc(Br)cc2)csc1CCc1ccccc1 ZINC000006232561 571167475 /nfs/dbraw/zinc/16/74/75/571167475.db2.gz INKJHQYFIKWYNC-UHFFFAOYSA-N 1 0 359.312 4.787 50 0 FJAARO Cc1nc(C2CC[NH+](Cc3ccc(C4CCCC4)s3)CC2)cc(=O)[nH]1 ZINC000072137278 571171661 /nfs/dbraw/zinc/17/16/61/571171661.db2.gz TYJMXYZGLVBMSL-UHFFFAOYSA-N 1 0 357.523 4.589 50 0 FJAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)c1cccc2ccccc21 ZINC000043971734 571178121 /nfs/dbraw/zinc/17/81/21/571178121.db2.gz GNLCOWUUBZXUGT-UHFFFAOYSA-N 1 0 364.514 4.543 50 0 FJAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccccc1 ZINC000239432843 571196100 /nfs/dbraw/zinc/19/61/00/571196100.db2.gz WPGSJVUKSMYCJB-GVALYMNDSA-N 1 0 357.497 5.232 50 0 FJAARO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(F)cc2)on1 ZINC000075448585 571203086 /nfs/dbraw/zinc/20/30/86/571203086.db2.gz DQNXBNQXKWYAIN-SFHVURJKSA-N 1 0 354.429 4.664 50 0 FJAARO COCCC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000035841017 571206503 /nfs/dbraw/zinc/20/65/03/571206503.db2.gz AZMIEBJNKSLYQZ-UHFFFAOYSA-N 1 0 366.480 4.714 50 0 FJAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC000077393071 571209924 /nfs/dbraw/zinc/20/99/24/571209924.db2.gz OHMXVHRQDSWSLY-IBGZPJMESA-N 1 0 368.912 4.838 50 0 FJAARO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000006586323 571210584 /nfs/dbraw/zinc/21/05/84/571210584.db2.gz VVLRHHWLHILNTA-QRWLVFNGSA-N 1 0 372.896 4.760 50 0 FJAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)cc1 ZINC000077540416 571215166 /nfs/dbraw/zinc/21/51/66/571215166.db2.gz LUELDAUWANZWEM-HXUWFJFHSA-N 1 0 374.887 4.908 50 0 FJAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccnc3ccccc32)cc1 ZINC000077564342 571215551 /nfs/dbraw/zinc/21/55/51/571215551.db2.gz SAFIWAUZDJTFRD-HSZRJFAPSA-N 1 0 373.500 4.664 50 0 FJAARO CC[C@H](C[NH+](C)C)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000426597335 571233048 /nfs/dbraw/zinc/23/30/48/571233048.db2.gz APLIMJAQDSFSBK-OAHLLOKOSA-N 1 0 365.304 4.730 50 0 FJAARO C[C@H](c1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cc1)[NH+]1CCCCC1 ZINC000426668958 571234832 /nfs/dbraw/zinc/23/48/32/571234832.db2.gz HJTCCWVRSXWQKW-GOSISDBHSA-N 1 0 365.521 4.855 50 0 FJAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036031101 571238903 /nfs/dbraw/zinc/23/89/03/571238903.db2.gz FQLUPUAKLCMQNM-HXUWFJFHSA-N 1 0 361.913 4.609 50 0 FJAARO Cc1ccc([C@H](C)CC[NH+]2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)o1 ZINC000091664451 571242093 /nfs/dbraw/zinc/24/20/93/571242093.db2.gz NQPLEZRTQJCVFR-GOSISDBHSA-N 1 0 372.553 4.729 50 0 FJAARO O=C(Nc1cccc2c1CCCC2)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000006877365 571252151 /nfs/dbraw/zinc/25/21/51/571252151.db2.gz AYLGIBOBDVWYFK-UHFFFAOYSA-N 1 0 369.553 4.685 50 0 FJAARO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3nnc(-c4ccc(F)cc4)o3)C2)cc1 ZINC000065261245 571258046 /nfs/dbraw/zinc/25/80/46/571258046.db2.gz XAVCBQWBHOMMCT-SFHVURJKSA-N 1 0 365.452 4.639 50 0 FJAARO CC[NH+]1CCC(Nc2ncnc3sc(-c4ccccc4)c(C)c32)CC1 ZINC000007467480 571265975 /nfs/dbraw/zinc/26/59/75/571265975.db2.gz ZWVCVZADRWXBTC-UHFFFAOYSA-N 1 0 352.507 4.563 50 0 FJAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(cccc2Cl)s1 ZINC000170613364 571268011 /nfs/dbraw/zinc/26/80/11/571268011.db2.gz MEIZQZZEDORMJF-CJNGLKHVSA-N 1 0 362.926 4.549 50 0 FJAARO NC(=O)c1ccc(-c2nc(C[NH+](C3CCCC3)C3CCCC3)cs2)cc1 ZINC000089793849 571273324 /nfs/dbraw/zinc/27/33/24/571273324.db2.gz SWAATLFJMCFMRX-UHFFFAOYSA-N 1 0 369.534 4.596 50 0 FJAARO Clc1ccc2sc(C3CCN(CC[NH+]4CCCCC4)CC3)nc2c1 ZINC000089807154 571273468 /nfs/dbraw/zinc/27/34/68/571273468.db2.gz YHNCBDFVYSMKTG-UHFFFAOYSA-N 1 0 363.958 4.615 50 0 FJAARO Cc1cc(OC[C@@H](O)Cn2c3ccccc3nc2C(C)C)cc(C)c1Cl ZINC000016903697 571273580 /nfs/dbraw/zinc/27/35/80/571273580.db2.gz YXTYUQARUBPWJM-INIZCTEOSA-N 1 0 372.896 4.870 50 0 FJAARO C[C@@H]1CCC[N@H+](CCOCCOc2ccc(Cl)cc2C(C)(C)C)C1 ZINC000002823138 571275814 /nfs/dbraw/zinc/27/58/14/571275814.db2.gz KBGQVTSMHGPVQX-MRXNPFEDSA-N 1 0 353.934 4.765 50 0 FJAARO COc1ccccc1[C@H](CC[NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000002126692 571278697 /nfs/dbraw/zinc/27/86/97/571278697.db2.gz ZJRAJVFUDNLVDK-MJGOQNOKSA-N 1 0 357.494 4.605 50 0 FJAARO COc1ccccc1[C@H](CC[NH2+]C[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000002126691 571278705 /nfs/dbraw/zinc/27/87/05/571278705.db2.gz ZJRAJVFUDNLVDK-HKUYNNGSSA-N 1 0 357.494 4.605 50 0 FJAARO COc1ccc2ccccc2c1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000007652302 571285365 /nfs/dbraw/zinc/28/53/65/571285365.db2.gz IQPJUBFXEJHJAI-UHFFFAOYSA-N 1 0 360.501 4.603 50 0 FJAARO COc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000037458123 571285568 /nfs/dbraw/zinc/28/55/68/571285568.db2.gz ZANBINYQLPJHJL-AUUYWEPGSA-N 1 0 358.869 4.513 50 0 FJAARO CCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2cccc(F)c2F)CC1 ZINC000037580716 571288384 /nfs/dbraw/zinc/28/83/84/571288384.db2.gz JSIWRSBVRLFPPC-UHFFFAOYSA-N 1 0 372.459 4.681 50 0 FJAARO CC(C)[C@H]([NH2+][C@H]1CCc2c1cc(Br)cc2F)c1ccccn1 ZINC000095968210 571333199 /nfs/dbraw/zinc/33/31/99/571333199.db2.gz WNPQMUMEKDHPHG-WMZOPIPTSA-N 1 0 363.274 4.957 50 0 FJAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)cc1Cl ZINC000021718074 571335804 /nfs/dbraw/zinc/33/58/04/571335804.db2.gz GJSWWHSAAGGGSO-UHFFFAOYSA-N 1 0 363.933 4.624 50 0 FJAARO CSc1cccc(NC(=S)N2CCC([N@H+](C)CCC(C)C)CC2)c1 ZINC000002913146 571341679 /nfs/dbraw/zinc/34/16/79/571341679.db2.gz ODKHUSPCDVKMBX-UHFFFAOYSA-N 1 0 365.612 4.548 50 0 FJAARO COc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2SCCC3)cc1 ZINC000002921919 571341775 /nfs/dbraw/zinc/34/17/75/571341775.db2.gz WUBPNZPSYRXRSR-UHFFFAOYSA-N 1 0 357.886 4.590 50 0 FJAARO C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000057427721 571343356 /nfs/dbraw/zinc/34/33/56/571343356.db2.gz LONPHRVCDZFBKG-QGZVFWFLSA-N 1 0 363.461 4.690 50 0 FJAARO Cc1sc2c(c1C)CN(C1CCC(C)CC1)CN2C(=O)c1ccco1 ZINC000057530567 571344320 /nfs/dbraw/zinc/34/43/20/571344320.db2.gz LHSACYVMROHNRT-UHFFFAOYSA-N 1 0 358.507 4.957 50 0 FJAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)cc1Cl ZINC000003058410 571344392 /nfs/dbraw/zinc/34/43/92/571344392.db2.gz OSMBFZWSTWVSCL-UHFFFAOYSA-N 1 0 365.974 4.684 50 0 FJAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000003058574 571344414 /nfs/dbraw/zinc/34/44/14/571344414.db2.gz WWAQWSNTMGGDDV-YLJYHZDGSA-N 1 0 359.583 4.667 50 0 FJAARO C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003206354 571345507 /nfs/dbraw/zinc/34/55/07/571345507.db2.gz WGTOLGDFKAMFSC-CXAGYDPISA-N 1 0 363.914 4.749 50 0 FJAARO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000057854121 571345666 /nfs/dbraw/zinc/34/56/66/571345666.db2.gz HXDMCKICWVCTJW-KBPBESRZSA-N 1 0 356.853 4.614 50 0 FJAARO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCc2ccccc2C1 ZINC000003431458 571349624 /nfs/dbraw/zinc/34/96/24/571349624.db2.gz PLVAYYZOZXZZMZ-GOSISDBHSA-N 1 0 356.469 4.739 50 0 FJAARO Cc1ccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2ccco2)cc1C ZINC000003662450 571352068 /nfs/dbraw/zinc/35/20/68/571352068.db2.gz XCOHQFPKSDEDQE-UHFFFAOYSA-N 1 0 371.550 4.581 50 0 FJAARO Cc1cccc(C)c1NC(=S)N(CCC[NH+]1CCCC1)Cc1ccco1 ZINC000003665617 571352158 /nfs/dbraw/zinc/35/21/58/571352158.db2.gz KJJMSCXQSAHESN-UHFFFAOYSA-N 1 0 371.550 4.581 50 0 FJAARO CCCC[NH+](CCCC)CN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O ZINC000003899312 571353007 /nfs/dbraw/zinc/35/30/07/571353007.db2.gz OHQDARXZSURSKY-JXAWBTAJSA-N 1 0 360.523 4.891 50 0 FJAARO COc1ccccc1[C@@]1(CC[NH2+]Cc2ccccc2)CCO[C@H](C(C)C)C1 ZINC000004043894 571354473 /nfs/dbraw/zinc/35/44/73/571354473.db2.gz MCHNBXKKQKBCSE-ZEQRLZLVSA-N 1 0 367.533 4.948 50 0 FJAARO CC(C)(C)[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248238819 209926016 /nfs/dbraw/zinc/92/60/16/209926016.db2.gz NPFKSMUBFVJYSE-UHFFFAOYSA-N 1 0 354.885 4.535 50 0 FJAARO OCCCCC[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000247801636 209916019 /nfs/dbraw/zinc/91/60/19/209916019.db2.gz WCKDHVIYHBNFQH-UHFFFAOYSA-N 1 0 374.887 4.734 50 0 FJAARO CC(C)COc1ccc([C@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000753522 219317949 /nfs/dbraw/zinc/31/79/49/219317949.db2.gz YCJYBYTUTWAFAD-GOTSBHOMSA-N 1 0 353.506 4.634 50 0 FJAARO CCCCOc1ccc([C@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001829740 219420468 /nfs/dbraw/zinc/42/04/68/219420468.db2.gz BHWJEAFQJWQLOS-GOTSBHOMSA-N 1 0 353.506 4.779 50 0 FJAARO OC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000002564899 219449336 /nfs/dbraw/zinc/44/93/36/219449336.db2.gz LNUDNNFEXRHHGY-DEOSSOPVSA-N 1 0 353.465 4.981 50 0 FJAARO CCC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002907741 219473771 /nfs/dbraw/zinc/47/37/71/219473771.db2.gz BHPDOOMSPWWFHP-RPWUZVMVSA-N 1 0 367.533 4.953 50 0 FJAARO Cc1ccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccs2)cc1 ZINC000003665447 219525514 /nfs/dbraw/zinc/52/55/14/219525514.db2.gz QKMMSSDCYCDFNC-UHFFFAOYSA-N 1 0 373.591 4.741 50 0 FJAARO Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCCO3)c3ccccc32)c(Cl)c1 ZINC000247521072 222949354 /nfs/dbraw/zinc/94/93/54/222949354.db2.gz LLOMDXMOARAULD-SFHVURJKSA-N 1 0 372.871 4.751 50 0 FJAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccc(F)cc1Cl ZINC000006882544 219779634 /nfs/dbraw/zinc/77/96/34/219779634.db2.gz ZHMOENZYGAYSPV-UHFFFAOYSA-N 1 0 351.849 4.955 50 0 FJAARO Cc1ccccc1COc1cccc(C[NH2+]CCCOc2ccccn2)c1 ZINC000113396704 209336313 /nfs/dbraw/zinc/33/63/13/209336313.db2.gz HVBCSLNWKCHOSD-UHFFFAOYSA-N 1 0 362.473 4.528 50 0 FJAARO O[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000328589198 223115120 /nfs/dbraw/zinc/11/51/20/223115120.db2.gz LINGJMRDKPJEKX-QFIPXVFZSA-N 1 0 367.876 4.742 50 0 FJAARO c1cn(-c2ccc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)cc2)cn1 ZINC000012559796 220007021 /nfs/dbraw/zinc/00/70/21/220007021.db2.gz WMXDZXINDCXMDK-UHFFFAOYSA-N 1 0 374.513 4.862 50 0 FJAARO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000012788758 220030278 /nfs/dbraw/zinc/03/02/78/220030278.db2.gz BJUMGNUGYMALPB-FDDCHVKYSA-N 1 0 374.484 4.665 50 0 FJAARO CC(C)(C)C1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000012821735 220033952 /nfs/dbraw/zinc/03/39/52/220033952.db2.gz VHVHMYPYCDORME-UHFFFAOYSA-N 1 0 356.554 4.620 50 0 FJAARO C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000012865737 220037427 /nfs/dbraw/zinc/03/74/27/220037427.db2.gz ORYWHTWXSGORLG-RPKIBTFVSA-N 1 0 371.521 4.505 50 0 FJAARO O=C(Nc1nc2ccc(F)cc2s1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012941867 220045077 /nfs/dbraw/zinc/04/50/77/220045077.db2.gz IEZHLPHQKVPDMI-UHFFFAOYSA-N 1 0 369.465 4.674 50 0 FJAARO O=C([C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCCCC1 ZINC000096308888 209150888 /nfs/dbraw/zinc/15/08/88/209150888.db2.gz GVGKJNZXCGGJJL-WOJBJXKFSA-N 1 0 354.519 4.639 50 0 FJAARO Cc1cc(C)cc(NC(=S)NC[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000013524024 220070660 /nfs/dbraw/zinc/07/06/60/220070660.db2.gz GHMVBPVQMGRAOP-MOPGFXCFSA-N 1 0 367.562 4.673 50 0 FJAARO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccs1 ZINC000014197867 220116072 /nfs/dbraw/zinc/11/60/72/220116072.db2.gz CRRICWGIKOATBD-CYBMUJFWSA-N 1 0 374.893 4.629 50 0 FJAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000015078044 220147744 /nfs/dbraw/zinc/14/77/44/220147744.db2.gz ODSUTFDTVRYVDY-INIZCTEOSA-N 1 0 352.865 4.916 50 0 FJAARO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000015074371 220145506 /nfs/dbraw/zinc/14/55/06/220145506.db2.gz QSWGTELULQXTEK-HXUWFJFHSA-N 1 0 365.477 4.610 50 0 FJAARO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000015862269 220170196 /nfs/dbraw/zinc/17/01/96/220170196.db2.gz RVJIRQNWXSUVDM-UHFFFAOYSA-N 1 0 352.453 4.696 50 0 FJAARO Clc1ccc(COc2cccc(C[NH2+]C[C@@H]3CCCO3)c2)c(Cl)c1 ZINC000016399602 220184233 /nfs/dbraw/zinc/18/42/33/220184233.db2.gz JYFHTHCQTLZZSU-SFHVURJKSA-N 1 0 366.288 4.841 50 0 FJAARO C[N@H+](Cc1nc(-c2ccc(F)cc2)no1)CC12CC3CC(CC(C3)C1)C2 ZINC000016439024 220184522 /nfs/dbraw/zinc/18/45/22/220184522.db2.gz PJAZGIGRWXJTEJ-UHFFFAOYSA-N 1 0 355.457 4.524 50 0 FJAARO Fc1ccccc1CN1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019359624 220253776 /nfs/dbraw/zinc/25/37/76/220253776.db2.gz OWMKMECJCDRYTM-UHFFFAOYSA-N 1 0 352.497 4.670 50 0 FJAARO CC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002907727 206943397 /nfs/dbraw/zinc/94/33/97/206943397.db2.gz IXVDOXHZSBHARN-XZOQPEGZSA-N 1 0 353.506 4.563 50 0 FJAARO CCC[C@]1(O)C[C@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000004100016 207000837 /nfs/dbraw/zinc/00/08/37/207000837.db2.gz XVMYIMXBHZVAHC-YYLLSARXSA-N 1 0 369.505 4.647 50 0 FJAARO C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1)CSc1ccc(Cl)cc1 ZINC000004390025 207017793 /nfs/dbraw/zinc/01/77/93/207017793.db2.gz NOWSUNYLXMJGOL-QGZVFWFLSA-N 1 0 356.318 4.626 50 0 FJAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cccc(C)c3)sc2c1 ZINC000004359513 207014825 /nfs/dbraw/zinc/01/48/25/207014825.db2.gz CIXDBYKQWCKOHK-UHFFFAOYSA-N 1 0 367.518 4.512 50 0 FJAARO Cc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(C)cc3s2)cc1 ZINC000004359511 207015889 /nfs/dbraw/zinc/01/58/89/207015889.db2.gz UPNLCGNTKWPOLP-UHFFFAOYSA-N 1 0 367.518 4.512 50 0 FJAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1cccc(Cl)c1 ZINC000004413616 207018256 /nfs/dbraw/zinc/01/82/56/207018256.db2.gz CCSHCQLZDZWMKJ-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000004668311 207035499 /nfs/dbraw/zinc/03/54/99/207035499.db2.gz WWAQWSNTMGGDDV-FXAWDEMLSA-N 1 0 359.583 4.667 50 0 FJAARO Cc1cccc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@@H]3C)CC2)c1C ZINC000004668292 207035902 /nfs/dbraw/zinc/03/59/02/207035902.db2.gz DTKDTQHJIMFVFK-UWJYYQICSA-N 1 0 373.610 4.975 50 0 FJAARO COc1ccc(-c2c[nH+]c(NCc3ccc(C(F)(F)F)cc3)n2C)cc1 ZINC000004678408 207036935 /nfs/dbraw/zinc/03/69/35/207036935.db2.gz CWURANKAWZHOKE-UHFFFAOYSA-N 1 0 361.367 4.727 50 0 FJAARO CCc1ccc(C[NH+]2CCC(C(=O)N(CC)Cc3ccccc3)CC2)cc1 ZINC000004725501 207041863 /nfs/dbraw/zinc/04/18/63/207041863.db2.gz WXHCMQXBTCUYPD-UHFFFAOYSA-N 1 0 364.533 4.510 50 0 FJAARO CCCC[N@H+](CC)CCCNC(=O)c1cc2cc3ccc(C)cc3nc2o1 ZINC000004907032 207060349 /nfs/dbraw/zinc/06/03/49/207060349.db2.gz QIJHHGNBOPUASX-UHFFFAOYSA-N 1 0 367.493 4.531 50 0 FJAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2Cl)N3)C1 ZINC000006256303 207134870 /nfs/dbraw/zinc/13/48/70/207134870.db2.gz CVXBKKMAHLCGKW-MRXNPFEDSA-N 1 0 361.898 4.597 50 0 FJAARO Cc1c(Cl)cccc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000006877357 207174430 /nfs/dbraw/zinc/17/44/30/207174430.db2.gz QBYRZHXKNJYLLX-UHFFFAOYSA-N 1 0 363.933 4.768 50 0 FJAARO CC[C@H](CO)[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000008326998 207230282 /nfs/dbraw/zinc/23/02/82/207230282.db2.gz XQKURUITCVXKJN-GOSISDBHSA-N 1 0 369.892 4.933 50 0 FJAARO CCOc1cccc(C[NH2+]CCc2ccccc2)c1OCc1ccccc1 ZINC000008325507 207228954 /nfs/dbraw/zinc/22/89/54/207228954.db2.gz YHNIAFFEPHYXRR-UHFFFAOYSA-N 1 0 361.485 4.997 50 0 FJAARO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000008326676 207229887 /nfs/dbraw/zinc/22/98/87/207229887.db2.gz NDPIKAANTMTUEH-ZDUSSCGKSA-N 1 0 351.849 4.955 50 0 FJAARO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1cc(F)c(Cl)cc1Cl ZINC000008750776 207248133 /nfs/dbraw/zinc/24/81/33/207248133.db2.gz KJLIVOSWKLVADN-NSHDSACASA-N 1 0 369.267 4.685 50 0 FJAARO CCc1ccc(-c2nc3ccccn3c2C[NH2+]Cc2ccccc2OC)cc1 ZINC000009740840 207285375 /nfs/dbraw/zinc/28/53/75/207285375.db2.gz JYVFTWPWNOOPIZ-UHFFFAOYSA-N 1 0 371.484 4.862 50 0 FJAARO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010225067 207298026 /nfs/dbraw/zinc/29/80/26/207298026.db2.gz KWRMJVNWVNHMHU-OAHLLOKOSA-N 1 0 365.452 4.514 50 0 FJAARO O=C(Nc1ccccc1Br)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010333823 207300000 /nfs/dbraw/zinc/30/00/00/207300000.db2.gz UYXFFZBLFDMOOJ-UHFFFAOYSA-N 1 0 373.294 4.687 50 0 FJAARO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2cccn2-c2nccs2)c1C ZINC000011813027 207321966 /nfs/dbraw/zinc/32/19/66/207321966.db2.gz SIRBPRKHKOQKSD-UHFFFAOYSA-N 1 0 350.491 4.630 50 0 FJAARO O=C(CC1CCCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000011839160 207322908 /nfs/dbraw/zinc/32/29/08/207322908.db2.gz QYOMXJROUKYIGI-QHCPKHFHSA-N 1 0 372.528 4.611 50 0 FJAARO Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCCn1cccn1 ZINC000011945279 207331766 /nfs/dbraw/zinc/33/17/66/207331766.db2.gz GBUVNQBCXRVLFU-DEOSSOPVSA-N 1 0 370.500 4.711 50 0 FJAARO Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3[NH2+]C2CCSCC2)cc1 ZINC000011999108 207332538 /nfs/dbraw/zinc/33/25/38/207332538.db2.gz CDDHIDRRFKQKOI-IBGZPJMESA-N 1 0 355.551 4.679 50 0 FJAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)cc1 ZINC000011874372 207327996 /nfs/dbraw/zinc/32/79/96/207327996.db2.gz GYADGFRVILIPIL-GOSISDBHSA-N 1 0 364.514 4.985 50 0 FJAARO c1ccc(CCc2nc3cccnc3n2C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012246075 207351004 /nfs/dbraw/zinc/35/10/04/207351004.db2.gz MJGWINQQMQPCOC-UHFFFAOYSA-N 1 0 374.532 4.796 50 0 FJAARO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000012242621 207351781 /nfs/dbraw/zinc/35/17/81/207351781.db2.gz ZPNSOHUNLGXFFF-HOTGVXAUSA-N 1 0 357.448 4.891 50 0 FJAARO CCOc1cccc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 ZINC000012298967 207355855 /nfs/dbraw/zinc/35/58/55/207355855.db2.gz FKDNBFQNLZCPJY-OAHLLOKOSA-N 1 0 353.441 4.569 50 0 FJAARO O=C(CCC1CC[NH+](Cc2c[nH]c3ccccc23)CC1)Nc1ccccc1 ZINC000012297932 207356731 /nfs/dbraw/zinc/35/67/31/207356731.db2.gz BRGTWSHTLWCVDB-UHFFFAOYSA-N 1 0 361.489 4.799 50 0 FJAARO O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000012386831 207367996 /nfs/dbraw/zinc/36/79/96/207367996.db2.gz CQIIBMBQFPJHTO-IBGZPJMESA-N 1 0 365.473 4.553 50 0 FJAARO COc1ccc(-c2nc(C[N@H+](C)C(C3CC3)C3CC3)c(C)o2)c(OC)c1C ZINC000012439224 207375105 /nfs/dbraw/zinc/37/51/05/207375105.db2.gz IAZSAHDCOULURS-UHFFFAOYSA-N 1 0 370.493 4.596 50 0 FJAARO Cc1c([C@@H](C)[NH2+]Cc2c(C)n(C)c3ccccc23)cnn1-c1ccccc1 ZINC000012435040 207375162 /nfs/dbraw/zinc/37/51/62/207375162.db2.gz JFVYMMDWFKSKLR-MRXNPFEDSA-N 1 0 358.489 4.832 50 0 FJAARO CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cccnc2)cc1 ZINC000012447889 207378994 /nfs/dbraw/zinc/37/89/94/207378994.db2.gz BMRORUHUCQOEFF-OAQYLSRUSA-N 1 0 360.505 4.732 50 0 FJAARO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000012592784 207398957 /nfs/dbraw/zinc/39/89/57/207398957.db2.gz PIDQWTZMNFJXAZ-UHFFFAOYSA-N 1 0 369.427 4.651 50 0 FJAARO Cc1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000012979071 207444097 /nfs/dbraw/zinc/44/40/97/207444097.db2.gz ZRBYBXULQLSGRI-IBGZPJMESA-N 1 0 357.885 4.607 50 0 FJAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccccc1Cl ZINC000013757717 207483560 /nfs/dbraw/zinc/48/35/60/207483560.db2.gz QSYIWYHJIDIBPM-UHFFFAOYSA-N 1 0 356.901 4.644 50 0 FJAARO Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000028290693 207957903 /nfs/dbraw/zinc/95/79/03/207957903.db2.gz RYOATIQEJYBRJR-GOSISDBHSA-N 1 0 370.880 4.736 50 0 FJAARO CCOc1ccc(C[N@H+](CC)Cc2cc(=O)oc3c(C)cc(C)cc23)cc1 ZINC000033018776 208067382 /nfs/dbraw/zinc/06/73/82/208067382.db2.gz PBZIGLJCPDENTG-UHFFFAOYSA-N 1 0 365.473 4.831 50 0 FJAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@@H]1c1cccc(F)c1 ZINC000033087178 208071223 /nfs/dbraw/zinc/07/12/23/208071223.db2.gz YCWDIDQYOBYSBD-LJQANCHMSA-N 1 0 373.468 4.969 50 0 FJAARO COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2)c1OC ZINC000036347921 208153853 /nfs/dbraw/zinc/15/38/53/208153853.db2.gz GNTRNLFNBLSYAO-QFIPXVFZSA-N 1 0 362.473 4.501 50 0 FJAARO CCCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037560059 208182425 /nfs/dbraw/zinc/18/24/25/208182425.db2.gz YJDVQVBSNCVOII-UHFFFAOYSA-N 1 0 368.496 4.932 50 0 FJAARO Cc1ccccc1C[NH+]1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000077191111 208195310 /nfs/dbraw/zinc/19/53/10/208195310.db2.gz LIIWQNIAOKHDOV-UHFFFAOYSA-N 1 0 373.378 4.663 50 0 FJAARO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000040152964 208237544 /nfs/dbraw/zinc/23/75/44/208237544.db2.gz XDZYISUNUQSRPV-UHFFFAOYSA-N 1 0 358.313 4.579 50 0 FJAARO COc1ccc(C[NH2+]Cc2ccc(OC(C)C)c(Br)c2)cc1 ZINC000040730955 208265077 /nfs/dbraw/zinc/26/50/77/208265077.db2.gz SQENDUAESPFTDX-UHFFFAOYSA-N 1 0 364.283 4.535 50 0 FJAARO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OC(C)C ZINC000040729250 208265863 /nfs/dbraw/zinc/26/58/63/208265863.db2.gz TVHGWDKTJCRFCI-UHFFFAOYSA-N 1 0 351.849 4.955 50 0 FJAARO OCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000040744909 208267856 /nfs/dbraw/zinc/26/78/56/208267856.db2.gz IORNEVXKCMIVGG-UHFFFAOYSA-N 1 0 374.695 4.698 50 0 FJAARO C[C@H](O)C[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040743989 208268640 /nfs/dbraw/zinc/26/86/40/208268640.db2.gz UVBXJVYVXMEFBH-AWEZNQCLSA-N 1 0 373.855 4.682 50 0 FJAARO CC[NH+](CC)Cc1ccc(-c2nc(-c3ccccc3Cl)cc(=O)[nH]2)cc1 ZINC000048139981 208387893 /nfs/dbraw/zinc/38/78/93/208387893.db2.gz SFHJPJABUHPEHO-UHFFFAOYSA-N 1 0 367.880 4.599 50 0 FJAARO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)o1 ZINC000019635471 220280295 /nfs/dbraw/zinc/28/02/95/220280295.db2.gz NSXNENILHXSPOC-QGZVFWFLSA-N 1 0 374.912 4.550 50 0 FJAARO O=C(Cc1ccc(Cl)cc1)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000021170937 220354379 /nfs/dbraw/zinc/35/43/79/220354379.db2.gz IWEQQRVVKDUTFQ-FQEVSTJZSA-N 1 0 362.945 4.530 50 0 FJAARO CCC[C@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000021169882 220354843 /nfs/dbraw/zinc/35/48/43/220354843.db2.gz CKROAUPDLQCLRP-GOTSBHOMSA-N 1 0 353.506 4.563 50 0 FJAARO C[NH+]1CCN(C/C=C2\c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000022574444 220391291 /nfs/dbraw/zinc/39/12/91/220391291.db2.gz SYQCOJUTHOBPTA-UFWORHAWSA-N 1 0 370.949 4.625 50 0 FJAARO COc1cc(C[NH2+][C@H](C)c2cccc3ccccc32)cc(OC)c1OC ZINC000022787565 220398216 /nfs/dbraw/zinc/39/82/16/220398216.db2.gz VSKIWRVDYAAUNU-OAHLLOKOSA-N 1 0 351.446 4.716 50 0 FJAARO Cc1n[nH]cc1CCCNc1c(C)c(C)[nH+]c2ccc(Br)cc21 ZINC000078903744 208936598 /nfs/dbraw/zinc/93/65/98/208936598.db2.gz HQVCJVFMPAMFMY-UHFFFAOYSA-N 1 0 373.298 4.690 50 0 FJAARO Clc1cccc2ccc(N3CCC[N@H+](Cc4cccs4)CC3)nc12 ZINC000095497687 209059897 /nfs/dbraw/zinc/05/98/97/209059897.db2.gz WKVVRELIADBRAJ-UHFFFAOYSA-N 1 0 357.910 4.662 50 0 FJAARO C[N@H+](Cc1ccc(OCc2cccnc2)cc1)Cc1cccc(Cl)c1 ZINC000057992776 221097084 /nfs/dbraw/zinc/09/70/84/221097084.db2.gz LSMGOIPGGUVLKY-UHFFFAOYSA-N 1 0 352.865 4.946 50 0 FJAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc2ncccc21)c1ccsc1 ZINC000058268977 221112695 /nfs/dbraw/zinc/11/26/95/221112695.db2.gz LZQXAKDURHFEHZ-IBGZPJMESA-N 1 0 368.506 4.501 50 0 FJAARO c1[nH]nc(C2CCCCC2)c1-c1c(-c2ccccc2)ncn1[C@H]1CC[NH2+]C1 ZINC000067934034 221305794 /nfs/dbraw/zinc/30/57/94/221305794.db2.gz NXCYONBBHZCFHQ-SFHVURJKSA-N 1 0 361.493 4.522 50 0 FJAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071589476 221352062 /nfs/dbraw/zinc/35/20/62/221352062.db2.gz AUMWVISMPQOZDD-HNNXBMFYSA-N 1 0 351.416 4.582 50 0 FJAARO FC(F)(F)c1cccc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)c1 ZINC000001229323 132381293 /nfs/dbraw/zinc/38/12/93/132381293.db2.gz BCFFOFSIHUYJSJ-UHFFFAOYSA-N 1 0 364.455 4.652 50 0 FJAARO COc1ccccc1N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000069039081 136137891 /nfs/dbraw/zinc/13/78/91/136137891.db2.gz APYGVRIBGBXHLC-UHFFFAOYSA-N 1 0 356.469 4.587 50 0 FJAARO CC[N@@H+](Cc1c(F)cccc1Cl)CC1CCN(c2ccccn2)CC1 ZINC000072305008 136144138 /nfs/dbraw/zinc/14/41/38/136144138.db2.gz YXIGUHMLPJZVBP-UHFFFAOYSA-N 1 0 361.892 4.613 50 0 FJAARO CC[C@H](c1cccnc1)N(C)C(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000095518214 221942896 /nfs/dbraw/zinc/94/28/96/221942896.db2.gz DNKXRTOKBQKQDM-OAQYLSRUSA-N 1 0 366.509 4.683 50 0 FJAARO CN(C)CC[NH2+]CC[C@](C)(c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000096693165 222127492 /nfs/dbraw/zinc/12/74/92/222127492.db2.gz DIQQAAZOAHNOAD-SFHVURJKSA-N 1 0 370.484 4.614 50 0 FJAARO CC(C)N(C(=O)c1ccccc1-c1ccc(C[NH+]2CCCC2)cn1)C(C)C ZINC000097813766 222214757 /nfs/dbraw/zinc/21/47/57/222214757.db2.gz TYUJFKHDZJFSPA-UHFFFAOYSA-N 1 0 365.521 4.603 50 0 FJAARO Cc1ccn2c(c1)nc(-c1ccccc1O)c2Nc1ccc2c(c1)OCCO2 ZINC000101338558 222269822 /nfs/dbraw/zinc/26/98/22/222269822.db2.gz PAUATIYUFAKHKS-UHFFFAOYSA-N 1 0 373.412 4.530 50 0 FJAARO CC[NH+]1CCN(Cc2cc3oc(C)c(-c4ccccc4)c3cc2OC)CC1 ZINC000019771252 263376587 /nfs/dbraw/zinc/37/65/87/263376587.db2.gz GZXYMBNWBKDMRL-UHFFFAOYSA-N 1 0 364.489 4.554 50 0 FJAARO CO[C@]12CC[N@H+](Cc3cc(C)c(C)cc3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426566868 263635300 /nfs/dbraw/zinc/63/53/00/263635300.db2.gz JWZUKAPQSFNTPH-RJGXRXQPSA-N 1 0 357.538 4.550 50 0 FJAARO CCCOc1c(Cl)cc(C[NH2+]CCc2ccccc2F)cc1OCC ZINC000020931989 520296480 /nfs/dbraw/zinc/29/64/80/520296480.db2.gz KSINKDVBAWGCSV-UHFFFAOYSA-N 1 0 365.876 4.999 50 0 FJAARO CCCOc1ccc(Br)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000020929324 520325815 /nfs/dbraw/zinc/32/58/15/520325815.db2.gz JDPZPYDNBOMOCU-UHFFFAOYSA-N 1 0 366.274 4.709 50 0 FJAARO CCC[C@]1(O)C[C@H](c2ccc(OC)cc2)[NH2+][C@@H](c2ccc(OC)cc2)[C@H]1C ZINC000239247999 521323203 /nfs/dbraw/zinc/32/32/03/521323203.db2.gz XVMYIMXBHZVAHC-LSUGYDDCSA-N 1 0 369.505 4.647 50 0 FJAARO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@H]21 ZINC000248195153 524259423 /nfs/dbraw/zinc/25/94/23/524259423.db2.gz ORYWHTWXSGORLG-BSVWKCFKSA-N 1 0 371.521 4.505 50 0 FJAARO Cc1ccc(COc2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)cc1 ZINC000020873736 524628751 /nfs/dbraw/zinc/62/87/51/524628751.db2.gz ZQEBWBRVKGWSGS-UHFFFAOYSA-N 1 0 361.441 4.593 50 0 FJAARO Cc1cccc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000240454762 524642773 /nfs/dbraw/zinc/64/27/73/524642773.db2.gz FYMWKCXAMATYDS-OEWRPIJISA-N 1 0 365.521 4.582 50 0 FJAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000089909819 524780295 /nfs/dbraw/zinc/78/02/95/524780295.db2.gz LPPBHNVLJIEBCZ-KRWDZBQOSA-N 1 0 360.457 4.652 50 0 FJAARO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21)c1ccc2ccccc2c1 ZINC000242001110 524946011 /nfs/dbraw/zinc/94/60/11/524946011.db2.gz VDAIFANXYRXOQG-SBUREZEXSA-N 1 0 358.485 4.636 50 0 FJAARO C[C@@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1cccc(Br)c1 ZINC000089905154 525551303 /nfs/dbraw/zinc/55/13/03/525551303.db2.gz CUGVIBJJOJYWDL-IAQYHMDHSA-N 1 0 367.312 4.608 50 0 FJAARO COc1cccc(C[NH2+]Cc2cccs2)c1OCc1ccc(C)cc1 ZINC000020873946 526026170 /nfs/dbraw/zinc/02/61/70/526026170.db2.gz PZZZDFVESPWEID-UHFFFAOYSA-N 1 0 353.487 4.934 50 0 FJAARO c1cc(C[NH+]2CCCCC2)sc1CN1CCCC[C@H]1c1cccnc1 ZINC000216367765 526423278 /nfs/dbraw/zinc/42/32/78/526423278.db2.gz QJWQTYAPUISXMB-NRFANRHFSA-N 1 0 355.551 4.856 50 0 FJAARO Clc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1Cl ZINC000239275113 526947031 /nfs/dbraw/zinc/94/70/31/526947031.db2.gz BEZVXVHCCOVMBX-WOJBJXKFSA-N 1 0 367.364 5.222 50 0 FJAARO OC(C[NH2+]Cc1cccc(C(F)(F)F)c1)(c1ccccc1)c1ccccc1 ZINC000020365319 527504075 /nfs/dbraw/zinc/50/40/75/527504075.db2.gz VGTNRBVPUGJJSA-UHFFFAOYSA-N 1 0 371.402 4.731 50 0 FJAARO OC(C[NH2+]Cc1cccc(Cl)c1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020365911 527504329 /nfs/dbraw/zinc/50/43/29/527504329.db2.gz XSDLPBJYDLYURS-UHFFFAOYSA-N 1 0 373.830 4.644 50 0 FJAARO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019913521 527622413 /nfs/dbraw/zinc/62/24/13/527622413.db2.gz OLTSGHSWPKHCMR-UHFFFAOYSA-N 1 0 360.929 4.559 50 0 FJAARO CCSc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299771627 529257379 /nfs/dbraw/zinc/25/73/79/529257379.db2.gz ROFBZMOLGLUOTC-SFHVURJKSA-N 1 0 369.534 4.537 50 0 FJAARO OC1(c2cccnc2)CC[NH+](Cc2ccc(C3CCCCC3)s2)CC1 ZINC000215549696 568076425 /nfs/dbraw/zinc/07/64/25/568076425.db2.gz LGRDUCFIJHSMBL-UHFFFAOYSA-N 1 0 356.535 4.674 50 0 FJAARO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(Sc4ccc(C)cc4)o3)C2)[nH]1 ZINC000215581725 568078224 /nfs/dbraw/zinc/07/82/24/568078224.db2.gz LUBBOSQQBYOBCO-MRXNPFEDSA-N 1 0 368.506 4.545 50 0 FJAARO CCOc1ccc(-c2ccc(C[NH+]3CCC(c4ccncn4)CC3)o2)cc1 ZINC000215726403 568085706 /nfs/dbraw/zinc/08/57/06/568085706.db2.gz FZPKTXATOMUXSU-UHFFFAOYSA-N 1 0 363.461 4.515 50 0 FJAARO Fc1ccc([C@@H]2CC[N@H+](Cc3cnc4c(-c5ccccc5)cnn4c3)C2)cc1 ZINC000215868481 568093286 /nfs/dbraw/zinc/09/32/86/568093286.db2.gz AXKYTDKZFHFKCT-HXUWFJFHSA-N 1 0 372.447 4.525 50 0 FJAARO COc1cccc([C@@H]2CCN2Cc2ccc(C[NH+]3CCCCC3)s2)c1 ZINC000216332140 568118386 /nfs/dbraw/zinc/11/83/86/568118386.db2.gz LJUWHYAGVORMDE-NRFANRHFSA-N 1 0 356.535 4.690 50 0 FJAARO CC(C)c1ccc(OCc2ccc(C(=O)OCC[NH+]3CCCCC3)o2)cc1 ZINC000002487648 568136765 /nfs/dbraw/zinc/13/67/65/568136765.db2.gz JIPONMIMWJLZKE-UHFFFAOYSA-N 1 0 371.477 4.625 50 0 FJAARO C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1nc(C(C)(C)C)cs1 ZINC000221895736 568471794 /nfs/dbraw/zinc/47/17/94/568471794.db2.gz PTHJUCNHWFUTHB-XYJFISCASA-N 1 0 357.567 4.927 50 0 FJAARO COc1ccc(-c2cn3c([n+]2-c2ccc(Cl)cc2)SCCC3)cc1 ZINC000000623887 570439194 /nfs/dbraw/zinc/43/91/94/570439194.db2.gz OVADYTKRYOXOAU-UHFFFAOYSA-N 1 0 357.886 4.590 50 0 FJAARO Brc1ccc(-c2c[n+]3ccccc3n2-c2ccccc2)cc1 ZINC000000625471 570439642 /nfs/dbraw/zinc/43/96/42/570439642.db2.gz BRAIIGXGCCBDIG-UHFFFAOYSA-N 1 0 350.239 4.646 50 0 FJAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1Cl ZINC000000641647 570442657 /nfs/dbraw/zinc/44/26/57/570442657.db2.gz KWZHWERPWGLLTG-CYBMUJFWSA-N 1 0 352.261 4.671 50 0 FJAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000001179402 570489269 /nfs/dbraw/zinc/48/92/69/570489269.db2.gz QJTIZTPSTJMNDJ-UHFFFAOYSA-N 1 0 364.533 4.891 50 0 FJAARO CC(C)CC[C@@]1(CC[NH2+]Cc2ccc3c(c2)OCO3)CCOC(C)(C)C1 ZINC000002110809 570514604 /nfs/dbraw/zinc/51/46/04/570514604.db2.gz HAJXKEQGBKSSCO-JOCHJYFZSA-N 1 0 361.526 4.907 50 0 FJAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000002735244 570528842 /nfs/dbraw/zinc/52/88/42/570528842.db2.gz SFOSMKKSCGZSAJ-AUSIDOKSSA-N 1 0 362.517 4.690 50 0 FJAARO CC(C)CC[NH+]1CCC(N(C(=O)c2cccs2)c2ccccc2)CC1 ZINC000034682492 570531581 /nfs/dbraw/zinc/53/15/81/570531581.db2.gz JQVWFODETJCJGS-UHFFFAOYSA-N 1 0 356.535 4.905 50 0 FJAARO Cc1cc(Br)ccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000002770120 570531612 /nfs/dbraw/zinc/53/16/12/570531612.db2.gz OPNAPQHULLWJGU-UHFFFAOYSA-N 1 0 359.311 4.834 50 0 FJAARO CCOc1cc(C[NH3+])c(Br)cc1OCc1ccccc1Cl ZINC000002884448 570542780 /nfs/dbraw/zinc/54/27/80/570542780.db2.gz YUONBEAJCCKDNR-UHFFFAOYSA-N 1 0 370.674 4.539 50 0 FJAARO O=C(CCc1cc(F)ccc1F)Nc1ccc(Oc2ccncc2)cc1 ZINC000050487255 570547273 /nfs/dbraw/zinc/54/72/73/570547273.db2.gz WWCWBSGHFILTQU-UHFFFAOYSA-N 1 0 354.356 4.723 50 0 FJAARO S=C(NCCC[NH2+]C1CCCCC1)Nc1cc(Cl)ccc1Cl ZINC000003131667 570552050 /nfs/dbraw/zinc/55/20/50/570552050.db2.gz JNKAYFXEDGYGMB-UHFFFAOYSA-N 1 0 360.354 4.592 50 0 FJAARO CC(C)C[NH+](CCCNC(=O)c1csc2c1CCCCC2)CC(C)C ZINC000005070458 570581676 /nfs/dbraw/zinc/58/16/76/570581676.db2.gz PIOQLWBEXKXOPY-UHFFFAOYSA-N 1 0 364.599 4.751 50 0 FJAARO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC(CCc2ccccc2)CC1 ZINC000011720557 570592561 /nfs/dbraw/zinc/59/25/61/570592561.db2.gz SORXNPAFAOYAEW-INIZCTEOSA-N 1 0 372.459 4.637 50 0 FJAARO CCOc1cc(Br)c(C[NH2+][C@@H](C)c2ccccc2)cc1OC ZINC000004856503 570610825 /nfs/dbraw/zinc/61/08/25/570610825.db2.gz GAKDMWVYOSORAG-ZDUSSCGKSA-N 1 0 364.283 4.707 50 0 FJAARO COc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1OCc1ccccc1 ZINC000004988392 570616523 /nfs/dbraw/zinc/61/65/23/570616523.db2.gz IHBUIWJAMCJHMK-UHFFFAOYSA-N 1 0 359.469 4.833 50 0 FJAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccccc1F ZINC000005019724 570618401 /nfs/dbraw/zinc/61/84/01/570618401.db2.gz UPQDCUXPPGTEAF-UHFFFAOYSA-N 1 0 357.450 4.765 50 0 FJAARO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(OC)c(Cl)c3)o2)cc1 ZINC000007539687 570665721 /nfs/dbraw/zinc/66/57/21/570665721.db2.gz ZIRBKVYORDZXIY-UHFFFAOYSA-N 1 0 357.837 4.907 50 0 FJAARO CC[C@H](CO)[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000008326990 570680359 /nfs/dbraw/zinc/68/03/59/570680359.db2.gz SFXUESUZUAKQHJ-LJQANCHMSA-N 1 0 369.892 4.933 50 0 FJAARO COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1Cc1ccc(C)cc1 ZINC000016032478 570699604 /nfs/dbraw/zinc/69/96/04/570699604.db2.gz MRYHAXJYGJIWLN-OEMFJLHTSA-N 1 0 365.517 4.872 50 0 FJAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)n1 ZINC000011667974 570705239 /nfs/dbraw/zinc/70/52/39/570705239.db2.gz DESFKVDNHFKWMY-HXUWFJFHSA-N 1 0 370.496 4.737 50 0 FJAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccccc1C(F)(F)F ZINC000011754032 570706358 /nfs/dbraw/zinc/70/63/58/570706358.db2.gz CHXZVUCUDUYUHL-OAHLLOKOSA-N 1 0 368.443 4.622 50 0 FJAARO COc1ccccc1C[N@@H+]1CCC[C@H](C(=O)c2ccccc2SC)C1 ZINC000011872903 570710353 /nfs/dbraw/zinc/71/03/53/570710353.db2.gz RSAONVIUHFBLSA-KRWDZBQOSA-N 1 0 355.503 4.512 50 0 FJAARO CSc1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 ZINC000011998754 570713485 /nfs/dbraw/zinc/71/34/85/570713485.db2.gz DLSMEKGQVHDROD-AWEZNQCLSA-N 1 0 355.482 4.893 50 0 FJAARO C/C=C(\C)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000012320488 570736752 /nfs/dbraw/zinc/73/67/52/570736752.db2.gz AMDLWSWKFAGPFB-UZTGNQCKSA-N 1 0 365.477 4.633 50 0 FJAARO CCOc1ccccc1C[NH2+][C@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000012457955 570747544 /nfs/dbraw/zinc/74/75/44/570747544.db2.gz LHOJMTGIJDZYIT-OAHLLOKOSA-N 1 0 353.441 4.569 50 0 FJAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000017312243 570749251 /nfs/dbraw/zinc/74/92/51/570749251.db2.gz VDFKPMXXZLAEAU-INIZCTEOSA-N 1 0 351.469 4.847 50 0 FJAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2C)cnn1-c1ccccc1 ZINC000012583706 570751900 /nfs/dbraw/zinc/75/19/00/570751900.db2.gz IBSYDUDBUBNKRE-GOSISDBHSA-N 1 0 371.488 4.526 50 0 FJAARO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@H+](CCCC(F)(F)F)C1 ZINC000012710207 570757666 /nfs/dbraw/zinc/75/76/66/570757666.db2.gz AJQHTQDDBYSHEQ-IBGZPJMESA-N 1 0 371.443 4.607 50 0 FJAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012710012 570757805 /nfs/dbraw/zinc/75/78/05/570757805.db2.gz XZRYNCQVXBPIBX-LJQANCHMSA-N 1 0 361.489 4.894 50 0 FJAARO CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000012995089 570771140 /nfs/dbraw/zinc/77/11/40/570771140.db2.gz DRKODLMQGJSILO-LJQANCHMSA-N 1 0 364.533 4.972 50 0 FJAARO C[C@H]([NH2+]CC(=O)N1CC[C@H](C)Sc2ccccc21)c1ccc(Cl)cc1 ZINC000013040189 570773012 /nfs/dbraw/zinc/77/30/12/570773012.db2.gz ZCGIWGLKICHLQU-GJZGRUSLSA-N 1 0 374.937 4.908 50 0 FJAARO COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000005006339 570774971 /nfs/dbraw/zinc/77/49/71/570774971.db2.gz DFJCFVVEMRNZQA-UHFFFAOYSA-N 1 0 350.300 4.516 50 0 FJAARO Fc1ccc(OCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000013656162 570782539 /nfs/dbraw/zinc/78/25/39/570782539.db2.gz LPSROPADLOYPAV-UHFFFAOYSA-N 1 0 356.466 4.694 50 0 FJAARO CCCCOCCC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000013719511 570786395 /nfs/dbraw/zinc/78/63/95/570786395.db2.gz RBRDGRGFQWXYDA-UHFFFAOYSA-N 1 0 357.494 4.571 50 0 FJAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCCOC(C)C)o1 ZINC000013722055 570786831 /nfs/dbraw/zinc/78/68/31/570786831.db2.gz LDPQATUHGVPQIA-UHFFFAOYSA-N 1 0 366.299 4.922 50 0 FJAARO OCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000013727037 570787647 /nfs/dbraw/zinc/78/76/47/570787647.db2.gz GRGSRLMKULEECA-UHFFFAOYSA-N 1 0 368.304 4.825 50 0 FJAARO Cc1ccc(-c2csc(NC(=O)C[N@@H+](C)C3CCCCC3)n2)cc1C ZINC000014217992 570813234 /nfs/dbraw/zinc/81/32/34/570813234.db2.gz FTVKQEUINYDDJQ-UHFFFAOYSA-N 1 0 357.523 4.630 50 0 FJAARO COc1ccc(C[C@H](C)[NH2+]CCc2ccc(Cl)cc2Cl)cc1OC ZINC000012383599 570813366 /nfs/dbraw/zinc/81/33/66/570813366.db2.gz UETQWKLMZKGYLE-ZDUSSCGKSA-N 1 0 368.304 4.774 50 0 FJAARO COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c1 ZINC000015071551 570831522 /nfs/dbraw/zinc/83/15/22/570831522.db2.gz GHWLGVPEFSGFPE-SFHVURJKSA-N 1 0 365.452 4.604 50 0 FJAARO CSc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3C)C2)cc1 ZINC000015072276 570831596 /nfs/dbraw/zinc/83/15/96/570831596.db2.gz CRLTYSFVFXESTA-QFIPXVFZSA-N 1 0 355.547 4.534 50 0 FJAARO CSc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1 ZINC000004555309 570834099 /nfs/dbraw/zinc/83/40/99/570834099.db2.gz FZDQLWKDVWVBJU-KRWDZBQOSA-N 1 0 373.547 4.665 50 0 FJAARO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000016381836 570855265 /nfs/dbraw/zinc/85/52/65/570855265.db2.gz PFYOGWMHUOBLBC-ZDUSSCGKSA-N 1 0 374.362 4.644 50 0 FJAARO CC(C)[N@@H+]1C[C@H](C)[C@](OC(=O)c2ccccc2)(c2ccccc2)C[C@H]1C ZINC000005722329 570861919 /nfs/dbraw/zinc/86/19/19/570861919.db2.gz ISISUCXOWWQKPO-YYDVJCTNSA-N 1 0 351.490 4.878 50 0 FJAARO Cc1ccc(Cl)cc1-n1ncc2c1ncnc2N[C@@H](C)c1ccccc1 ZINC000017121534 570868645 /nfs/dbraw/zinc/86/86/45/570868645.db2.gz GLSFAGYVFYYVPW-AWEZNQCLSA-N 1 0 363.852 4.950 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)cc1 ZINC000019300286 570885205 /nfs/dbraw/zinc/88/52/05/570885205.db2.gz JYZIYSDUIJRZFQ-INIZCTEOSA-N 1 0 371.406 4.874 50 0 FJAARO CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876455 570926563 /nfs/dbraw/zinc/92/65/63/570926563.db2.gz IBAPTNVJHUSIAA-UHFFFAOYSA-N 1 0 354.675 4.791 50 0 FJAARO CC[NH+](CC)CCNCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000019691192 570898534 /nfs/dbraw/zinc/89/85/34/570898534.db2.gz QSDFLKRTJKOAMI-UHFFFAOYSA-N 1 0 362.517 4.850 50 0 FJAARO Fc1ccccc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019823245 570903796 /nfs/dbraw/zinc/90/37/96/570903796.db2.gz OLXQIXDJQZRXNI-UHFFFAOYSA-N 1 0 360.476 4.733 50 0 FJAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1C(F)(F)F)[NH2+]CC2 ZINC000020494592 570918664 /nfs/dbraw/zinc/91/86/64/570918664.db2.gz ZDZHGASVMDLROP-LJQANCHMSA-N 1 0 365.395 4.738 50 0 FJAARO COc1cccc2c1CCC[C@@H]2CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000022931094 570953198 /nfs/dbraw/zinc/95/31/98/570953198.db2.gz PHRCDWVPTULQMT-HXUWFJFHSA-N 1 0 370.581 4.846 50 0 in-vivo FJAARO COc1ccc2cc(C[NH2+]C[C@H](c3cccs3)N3CCCC3)ccc2c1 ZINC000022932609 570953209 /nfs/dbraw/zinc/95/32/09/570953209.db2.gz PPWZIXKJGYRBDU-OAQYLSRUSA-N 1 0 366.530 4.837 50 0 FJAARO CC(C)c1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000023717715 570966660 /nfs/dbraw/zinc/96/66/60/570966660.db2.gz BGLBBDKZKQLXGQ-UHFFFAOYSA-N 1 0 363.427 4.546 50 0 FJAARO C[NH+](C)CCC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000601147056 570995561 /nfs/dbraw/zinc/99/55/61/570995561.db2.gz HAOIRXHTLFRSFY-UHFFFAOYSA-N 1 0 352.261 4.707 50 0 FJAARO O=C(C[C@@H]1C=CCC1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000026404123 571005565 /nfs/dbraw/zinc/00/55/65/571005565.db2.gz VKRJQWUTERTFIF-HXUWFJFHSA-N 1 0 374.528 4.922 50 0 FJAARO Cc1ccc2c(c1)sc(C(=O)NCC1([NH+](C)C)CCCCC1)c2Cl ZINC000027580397 571014024 /nfs/dbraw/zinc/01/40/24/571014024.db2.gz OMMXMNPTUQPQNO-UHFFFAOYSA-N 1 0 364.942 4.857 50 0 FJAARO Cc1ccc([C@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027581741 571014410 /nfs/dbraw/zinc/01/44/10/571014410.db2.gz MCUHTPGSYJOCTR-FQEVSTJZSA-N 1 0 356.897 4.605 50 0 FJAARO Cc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027582664 571014437 /nfs/dbraw/zinc/01/44/37/571014437.db2.gz NUZRNNKHLCXEJT-NRFANRHFSA-N 1 0 370.924 4.996 50 0 FJAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000027582763 571015248 /nfs/dbraw/zinc/01/52/48/571015248.db2.gz UQLPIZBHSTYUDB-FQEVSTJZSA-N 1 0 374.887 4.826 50 0 FJAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2C)[NH+]2CCCCCC2)cc1 ZINC000027584305 571015253 /nfs/dbraw/zinc/01/52/53/571015253.db2.gz IPHKJQRZUSNPJZ-JOCHJYFZSA-N 1 0 350.506 4.651 50 0 FJAARO CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027662461 571017263 /nfs/dbraw/zinc/01/72/63/571017263.db2.gz KLOLNFLYYVPKNS-GOSISDBHSA-N 1 0 356.535 4.613 50 0 FJAARO Cc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000027793193 571021283 /nfs/dbraw/zinc/02/12/83/571021283.db2.gz RAKINUHFLFGWDX-QFIPXVFZSA-N 1 0 364.533 4.859 50 0 FJAARO Cc1ccc([C@@H](CNC(=O)Cc2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000027994287 571025778 /nfs/dbraw/zinc/02/57/78/571025778.db2.gz FVHDMDAJRMWDMM-XMMPIXPASA-N 1 0 372.512 4.644 50 0 FJAARO Cc1c(C)n(C[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)c2c1cccc2Cl ZINC000028296767 571030768 /nfs/dbraw/zinc/03/07/68/571030768.db2.gz NOZOXHKYFNAUCM-YJBOKZPZSA-N 1 0 356.897 4.623 50 0 FJAARO CC(C)[NH+](C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2)C(C)C ZINC000028297110 571031217 /nfs/dbraw/zinc/03/12/17/571031217.db2.gz PFFTVCXOTOLTFR-MRXNPFEDSA-N 1 0 362.945 4.653 50 0 FJAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000028925064 571035584 /nfs/dbraw/zinc/03/55/84/571035584.db2.gz YBMDYOSTJVESLP-AWEZNQCLSA-N 1 0 352.409 4.895 50 0 FJAARO COc1ccc([C@@H](O)[C@@H](C[NH+]2CCCCCC2)c2ccccc2)cc1F ZINC000001250081 571044588 /nfs/dbraw/zinc/04/45/88/571044588.db2.gz DUCPMFSDYMOYQG-SIKLNZKXSA-N 1 0 357.469 4.528 50 0 FJAARO Cc1nc2ccccc2n1CC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000038535793 571044763 /nfs/dbraw/zinc/04/47/63/571044763.db2.gz HRVKCELYBUDOHY-UHFFFAOYSA-N 1 0 355.432 4.535 50 0 FJAARO COc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1OCc1cccnc1 ZINC000030543944 571048013 /nfs/dbraw/zinc/04/80/13/571048013.db2.gz AUWVOGJMPZSHDS-JOCHJYFZSA-N 1 0 374.484 4.836 50 0 FJAARO COc1ccc2[nH]c(-c3ccccc3)c(C[N@@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008572512 571050453 /nfs/dbraw/zinc/05/04/53/571050453.db2.gz OSAMSDLBJQEKEF-MRXNPFEDSA-N 1 0 362.473 4.848 50 0 FJAARO CCOc1ccc2ccccc2c1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000030907738 571052791 /nfs/dbraw/zinc/05/27/91/571052791.db2.gz QNQIGCICSCSSMC-UHFFFAOYSA-N 1 0 371.484 4.773 50 0 FJAARO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc2ccccc21 ZINC000012730068 571054505 /nfs/dbraw/zinc/05/45/05/571054505.db2.gz VSSYGCXQZLHNNW-UHFFFAOYSA-N 1 0 354.400 4.579 50 0 FJAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@@H]3CC)c(=O)c2c1 ZINC000008717332 571056992 /nfs/dbraw/zinc/05/69/92/571056992.db2.gz UUBLOMGJMUOWRT-KRWDZBQOSA-N 1 0 370.493 4.580 50 0 FJAARO Fc1ccc(C[NH+]2CCC(Nc3ccc(Br)cc3)CC2)cc1 ZINC000004749426 571073020 /nfs/dbraw/zinc/07/30/20/571073020.db2.gz HTSGBXBEKWDXLI-UHFFFAOYSA-N 1 0 363.274 4.665 50 0 FJAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)c(C)cc23)cc1 ZINC000012764901 571084058 /nfs/dbraw/zinc/08/40/58/571084058.db2.gz QWPXRTCBLHXPEF-OAQYLSRUSA-N 1 0 363.457 4.756 50 0 FJAARO CC[C@@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000012773845 571092959 /nfs/dbraw/zinc/09/29/59/571092959.db2.gz NEMPPXBLRVZWMJ-GOSISDBHSA-N 1 0 350.506 4.612 50 0 FJAARO O[C@H](C[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1 ZINC000040728170 571093627 /nfs/dbraw/zinc/09/36/27/571093627.db2.gz REBXOWQTUKKERT-JOCHJYFZSA-N 1 0 367.876 4.742 50 0 FJAARO Clc1ccc(COc2ccc(C[NH2+]C[C@H]3CCCO3)cc2)cc1Cl ZINC000040722936 571093649 /nfs/dbraw/zinc/09/36/49/571093649.db2.gz WNSQJGUPPTWTJL-QGZVFWFLSA-N 1 0 366.288 4.841 50 0 FJAARO Cc1cc(C)c(NC(=S)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC000245224732 571094636 /nfs/dbraw/zinc/09/46/36/571094636.db2.gz CLQOWQIQBDGAFV-CABCVRRESA-N 1 0 353.963 4.506 50 0 FJAARO OCCCCC[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040738515 571095155 /nfs/dbraw/zinc/09/51/55/571095155.db2.gz MCASQMASBHRAIT-UHFFFAOYSA-N 1 0 368.304 4.825 50 0 FJAARO Fc1cccc(Cl)c1COc1cccc(C[NH2+]Cc2cccnc2)c1 ZINC000040738683 571095230 /nfs/dbraw/zinc/09/52/30/571095230.db2.gz DCZNKIWSXAKQTO-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO CCOCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000040738562 571095310 /nfs/dbraw/zinc/09/53/10/571095310.db2.gz IIHQEHKOIZMBQC-UHFFFAOYSA-N 1 0 351.849 4.574 50 0 FJAARO Clc1cccc(COc2ccc(Cl)cc2C[NH2+]C[C@H]2CCCO2)c1 ZINC000040743513 571096052 /nfs/dbraw/zinc/09/60/52/571096052.db2.gz TYWFVVYCTMCAIH-GOSISDBHSA-N 1 0 366.288 4.841 50 0 FJAARO COc1ccccc1OCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000009481113 571110761 /nfs/dbraw/zinc/11/07/61/571110761.db2.gz FVHOXCYLXZYGFF-UHFFFAOYSA-N 1 0 368.502 4.563 50 0 FJAARO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000035075096 571114427 /nfs/dbraw/zinc/11/44/27/571114427.db2.gz ZHNJYJRWQXTHLL-GUXCAODWSA-N 1 0 374.956 4.703 50 0 FJAARO Clc1ccc(-c2ccc(C[NH2+]CCOc3ccccn3)o2)c(Cl)c1 ZINC000057354900 571122296 /nfs/dbraw/zinc/12/22/96/571122296.db2.gz CFNXQQYINXFSGF-UHFFFAOYSA-N 1 0 363.244 4.817 50 0 FJAARO Fc1ccc(Cn2cc(C[NH2+]C[C@H]3CCCO3)c3ccccc32)c(Cl)c1 ZINC000247521066 571125432 /nfs/dbraw/zinc/12/54/32/571125432.db2.gz LLOMDXMOARAULD-GOSISDBHSA-N 1 0 372.871 4.751 50 0 FJAARO O[C@H](C[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1 ZINC000247724374 571125939 /nfs/dbraw/zinc/12/59/39/571125939.db2.gz BUSKPCOSDVMDDH-XMMPIXPASA-N 1 0 374.459 4.652 50 0 FJAARO COCCC[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000247884275 571126260 /nfs/dbraw/zinc/12/62/60/571126260.db2.gz RFDVQBCHCQFSKR-UHFFFAOYSA-N 1 0 360.860 4.608 50 0 FJAARO Cc1ccccc1Cn1nc(C[NH2+]C2CCCCC2)c(-c2ccccc2)n1 ZINC000248136149 571127832 /nfs/dbraw/zinc/12/78/32/571127832.db2.gz CRZMREJBNGIGBZ-UHFFFAOYSA-N 1 0 360.505 4.724 50 0 FJAARO CCN1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248130566 571127859 /nfs/dbraw/zinc/12/78/59/571127859.db2.gz YHNFYOJPPIWTSD-QFIPXVFZSA-N 1 0 361.533 4.572 50 0 FJAARO CCC(C)(C)[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248251589 571128618 /nfs/dbraw/zinc/12/86/18/571128618.db2.gz JEIWNLVYIGTLFY-UHFFFAOYSA-N 1 0 368.912 4.925 50 0 FJAARO CC(C)CC[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248300159 571129173 /nfs/dbraw/zinc/12/91/73/571129173.db2.gz ZVXFVCRZZWTKDC-UHFFFAOYSA-N 1 0 368.912 4.783 50 0 FJAARO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)cc1)C(C)C ZINC000058281343 571130609 /nfs/dbraw/zinc/13/06/09/571130609.db2.gz XOLXXCFVUIBGSH-UHFFFAOYSA-N 1 0 363.461 4.824 50 0 FJAARO O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000025144545 571134972 /nfs/dbraw/zinc/13/49/72/571134972.db2.gz KHOXIGNXJFLODI-QZTJIDSGSA-N 1 0 368.443 4.523 50 0 FJAARO Cc1cccc(C[N@H+]2CC=C(C(=O)Nc3ccc(Cl)cc3C)CC2)c1 ZINC000015861051 571138559 /nfs/dbraw/zinc/13/85/59/571138559.db2.gz CIGTXSAHZPGOSR-UHFFFAOYSA-N 1 0 354.881 4.728 50 0 FJAARO COCc1cc(C)nc2sc(C3=[NH+]C(C)(C)Cc4ccccc43)c(N)c21 ZINC000000974271 571140884 /nfs/dbraw/zinc/14/08/84/571140884.db2.gz IXBPGFDDXMJLFX-UHFFFAOYSA-N 1 0 365.502 4.505 50 0 FJAARO O[C@@H](C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000016477458 571141746 /nfs/dbraw/zinc/14/17/46/571141746.db2.gz MJJUSDQUAMQZRG-QFIPXVFZSA-N 1 0 367.876 4.742 50 0 FJAARO CCC[C@@H](C)c1c(-c2ccccc2)ncn1CCCOC1CC[NH+](C)CC1 ZINC000065505868 571144469 /nfs/dbraw/zinc/14/44/69/571144469.db2.gz JDPRPQKMTROARJ-LJQANCHMSA-N 1 0 369.553 4.955 50 0 FJAARO Cc1ccc2cc(C3(O)CC[NH+](Cc4c(C)cccc4C)CC3)ccc2n1 ZINC000067447373 571146668 /nfs/dbraw/zinc/14/66/68/571146668.db2.gz OOJWUIQAFXTUAS-UHFFFAOYSA-N 1 0 360.501 4.644 50 0 FJAARO C[C@@H](c1ccc(C[N@@H+]2CCc3onc(-c4ccccc4)c3C2)cc1)[NH+](C)C ZINC000067850821 571150502 /nfs/dbraw/zinc/15/05/02/571150502.db2.gz RWTTWVLZCJEPJH-KRWDZBQOSA-N 1 0 361.489 4.523 50 0 FJAARO Cc1ccccc1C[N@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012941948 571153194 /nfs/dbraw/zinc/15/31/94/571153194.db2.gz FCPQNTCBVWPSTI-HSZRJFAPSA-N 1 0 361.485 4.534 50 0 FJAARO CCC[C@H]1COCC[N@@H+]1CCCc1ccc(COc2ccccc2)cc1 ZINC000068606094 571153391 /nfs/dbraw/zinc/15/33/91/571153391.db2.gz ZIXBWTMRZQDJDC-QFIPXVFZSA-N 1 0 353.506 4.699 50 0 FJAARO CCc1ccccc1NC(=S)N1CCC([N@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000004668315 571156285 /nfs/dbraw/zinc/15/62/85/571156285.db2.gz FJNBWAUXMMDIAO-LAUBAEHRSA-N 1 0 373.610 4.921 50 0 FJAARO Cc1cc(C)cc(NC(=S)NC[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000004683337 571160041 /nfs/dbraw/zinc/16/00/41/571160041.db2.gz GHMVBPVQMGRAOP-OALUTQOASA-N 1 0 367.562 4.673 50 0 FJAARO CC(C)CC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C(C)C ZINC000075330276 571161101 /nfs/dbraw/zinc/16/11/01/571161101.db2.gz JTJPQACKSFMSAN-UHFFFAOYSA-N 1 0 370.541 4.834 50 0 FJAARO CC(C)(C)c1cc(SC[C@@H]2C[NH+]=C(N)S2)cc(C(C)(C)C)c1O ZINC000035327630 571166492 /nfs/dbraw/zinc/16/64/92/571166492.db2.gz ALTFRXAGTGJIFC-LBPRGKRZSA-N 1 0 352.569 4.509 50 0 FJAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1Cl)c1csc2ccccc21 ZINC000575622519 571173190 /nfs/dbraw/zinc/17/31/90/571173190.db2.gz ZHPHKFIIIHLALQ-QGZVFWFLSA-N 1 0 358.894 4.587 50 0 FJAARO CN(Cc1cc(-c2ccccc2)no1)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000072154570 571175148 /nfs/dbraw/zinc/17/51/48/571175148.db2.gz LFENQMFPHZOMEN-UHFFFAOYSA-N 1 0 367.518 4.631 50 0 FJAARO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCc2nc3ccccc3s2)C1 ZINC000222097290 571175690 /nfs/dbraw/zinc/17/56/90/571175690.db2.gz URMDPOGBOZJLMH-PKOBYXMFSA-N 1 0 365.546 4.654 50 0 FJAARO C[C@H]1CCc2c(sc3ncnc(NC[C@@H](c4ccccc4)[NH+](C)C)c23)C1 ZINC000003285400 571178933 /nfs/dbraw/zinc/17/89/33/571178933.db2.gz CVERDUYFQPGPKY-YOEHRIQHSA-N 1 0 366.534 4.531 50 0 FJAARO OC1CC[NH+](Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)CC1 ZINC000072412119 571191931 /nfs/dbraw/zinc/19/19/31/571191931.db2.gz RFDWOBJLZLQWKZ-UHFFFAOYSA-N 1 0 370.855 4.651 50 0 FJAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H](C)[C@]1(O)CCC ZINC000239415271 571195886 /nfs/dbraw/zinc/19/58/86/571195886.db2.gz UCLGIKKXOIONJU-CJNUZUDLSA-N 1 0 351.534 5.656 50 0 FJAARO COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)CCO[C@H](C(C)C)C2)cc1 ZINC000004038367 571204196 /nfs/dbraw/zinc/20/41/96/571204196.db2.gz NJKRITVJGFNMNK-BJKOFHAPSA-N 1 0 367.533 4.948 50 0 FJAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc2cccc(Cl)c2n1 ZINC000077393075 571209965 /nfs/dbraw/zinc/20/99/65/571209965.db2.gz OHMXVHRQDSWSLY-LJQANCHMSA-N 1 0 368.912 4.838 50 0 FJAARO CC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1C)CC1CCCCC1 ZINC000004807296 571237509 /nfs/dbraw/zinc/23/75/09/571237509.db2.gz BYBSOAORGKAJDN-XMMPIXPASA-N 1 0 368.565 4.998 50 0 FJAARO COCC[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040743129 571238896 /nfs/dbraw/zinc/23/88/96/571238896.db2.gz HLORSBHPDNDREB-UHFFFAOYSA-N 1 0 374.695 4.962 50 0 FJAARO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102644 571241881 /nfs/dbraw/zinc/24/18/81/571241881.db2.gz CPPYRWYTDQXEGJ-QFIPXVFZSA-N 1 0 367.439 4.571 50 0 FJAARO COc1ccc(CC[NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 ZINC000006784982 571246432 /nfs/dbraw/zinc/24/64/32/571246432.db2.gz UDORZYRROIAJRK-UHFFFAOYSA-N 1 0 374.484 4.588 50 0 FJAARO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000170593516 571266191 /nfs/dbraw/zinc/26/61/91/571266191.db2.gz HFKFZNGILSQMNK-ZDUSSCGKSA-N 1 0 371.834 4.547 50 0 FJAARO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2COc2ccccc2)s1 ZINC000170595220 571266418 /nfs/dbraw/zinc/26/64/18/571266418.db2.gz TXLNSVZZYFIOQY-ZDUSSCGKSA-N 1 0 356.413 4.514 50 0 FJAARO CC[NH+](CC)[C@@H](C(=O)Nc1cc(-c2ncco2)ccc1C)c1ccccc1 ZINC000089618401 571272288 /nfs/dbraw/zinc/27/22/88/571272288.db2.gz VJGFXQRALWZXHX-HXUWFJFHSA-N 1 0 363.461 4.672 50 0 FJAARO C[C@H]1CCC[N@H+](CCCCOc2ccc(Cl)cc2Br)C1 ZINC000002824105 571275764 /nfs/dbraw/zinc/27/57/64/571275764.db2.gz DMPWBCHLMBBPJZ-ZDUSSCGKSA-N 1 0 360.723 4.993 50 0 FJAARO C[N@H+](CCOCCOc1ccccc1-c1ccccc1)Cc1ccccc1 ZINC000002823995 571275832 /nfs/dbraw/zinc/27/58/32/571275832.db2.gz GZIOITGQKLLNPV-UHFFFAOYSA-N 1 0 361.485 4.881 50 0 FJAARO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037559811 571288026 /nfs/dbraw/zinc/28/80/26/571288026.db2.gz FLRWSHYOIGXTRR-UHFFFAOYSA-N 1 0 354.469 4.623 50 0 FJAARO CC(C)C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037559903 571288032 /nfs/dbraw/zinc/28/80/32/571288032.db2.gz NDRURJRFMUFDLP-UHFFFAOYSA-N 1 0 372.459 4.618 50 0 FJAARO Cc1nn(C)c(C)c1CN(Cc1ccc([C@H]2CCCCO2)s1)C1CC1 ZINC000230466581 571309447 /nfs/dbraw/zinc/30/94/47/571309447.db2.gz KJSPORMENIPDDF-LJQANCHMSA-N 1 0 359.539 4.505 50 0 FJAARO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1cccs1 ZINC000253427354 571313222 /nfs/dbraw/zinc/31/32/22/571313222.db2.gz FHVISRRPHHVJMR-INIZCTEOSA-N 1 0 373.440 4.539 50 0 FJAARO C[C@H](c1ccccn1)[N@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000095468629 571330530 /nfs/dbraw/zinc/33/05/30/571330530.db2.gz LPYRLUWIVBYJFA-QGZVFWFLSA-N 1 0 350.437 4.993 50 0 FJAARO Cc1ccc(C)c(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@H]3C)CC2)c1 ZINC000020733519 571331653 /nfs/dbraw/zinc/33/16/53/571331653.db2.gz VOALHWNWJTWPEC-NQIIRXRSSA-N 1 0 373.610 4.975 50 0 FJAARO C[C@@H]1CCCC[N@@H+]1CCNc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000021643076 571335355 /nfs/dbraw/zinc/33/53/55/571335355.db2.gz MUGHXFHHZATTDA-CQSZACIVSA-N 1 0 370.497 4.784 50 0 FJAARO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C1 ZINC000021718112 571335886 /nfs/dbraw/zinc/33/58/86/571335886.db2.gz VXRJQTCYAJZLTR-IYBDPMFKSA-N 1 0 363.933 4.562 50 0 FJAARO C[C@@H]1C[C@@H](C)C[NH+](CC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C1 ZINC000021718130 571335916 /nfs/dbraw/zinc/33/59/16/571335916.db2.gz SBJSOGKTLDAWQB-HZPDHXFCSA-N 1 0 363.933 4.562 50 0 FJAARO O=C(c1ccc(Br)cc1)[C@@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000002655114 571340205 /nfs/dbraw/zinc/34/02/05/571340205.db2.gz JIWYMIYHPRPHAB-LJQANCHMSA-N 1 0 372.306 4.729 50 0 FJAARO CC[C@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002907730 571341535 /nfs/dbraw/zinc/34/15/35/571341535.db2.gz IXVDOXHZSBHARN-GOTSBHOMSA-N 1 0 353.506 4.563 50 0 FJAARO CC[C@@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002907732 571341536 /nfs/dbraw/zinc/34/15/36/571341536.db2.gz IXVDOXHZSBHARN-DHIUTWEWSA-N 1 0 353.506 4.563 50 0 FJAARO CCOc1ccc([C@](O)(CC)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000002907743 571341563 /nfs/dbraw/zinc/34/15/63/571341563.db2.gz OGZAONAWUUEDKY-BJKOFHAPSA-N 1 0 367.533 4.953 50 0 FJAARO CC(C)CC[N@H+](C)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000002912892 571341632 /nfs/dbraw/zinc/34/16/32/571341632.db2.gz ILGHXWHPTTUXFS-UHFFFAOYSA-N 1 0 372.340 4.968 50 0 FJAARO CC(C)c1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)cc1 ZINC000002934066 571341936 /nfs/dbraw/zinc/34/19/36/571341936.db2.gz IDZIWQDDENBGDY-KRWDZBQOSA-N 1 0 370.566 4.527 50 0 FJAARO CC(C)[C@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000057381110 571343013 /nfs/dbraw/zinc/34/30/13/571343013.db2.gz RVTKJQQIJAOTHH-KRWDZBQOSA-N 1 0 352.812 4.544 50 0 FJAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2cccs2)c2ccccc2)cc1F ZINC000057508775 571343940 /nfs/dbraw/zinc/34/39/40/571343940.db2.gz ZKHQUIFVUKEQPE-YWZLYKJASA-N 1 0 368.477 4.902 50 0 FJAARO CCc1ccccc1NC(=S)N1CCC([N@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000003058575 571344433 /nfs/dbraw/zinc/34/44/33/571344433.db2.gz FJNBWAUXMMDIAO-UTKZUKDTSA-N 1 0 373.610 4.921 50 0 FJAARO CCc1ccc2c(C[N@@H+]3CCC[C@@H]3c3cccc(OC)c3)cc(=O)oc2c1 ZINC000057562993 571344577 /nfs/dbraw/zinc/34/45/77/571344577.db2.gz SIWHBSPRRKSWHS-OAQYLSRUSA-N 1 0 363.457 4.701 50 0 FJAARO Cc1nc2sc3c(c2c(NC[C@@H](c2ccccc2)[NH+](C)C)n1)CCCC3 ZINC000003338955 571347746 /nfs/dbraw/zinc/34/77/46/571347746.db2.gz IRHSKRKWUFDUFV-KRWDZBQOSA-N 1 0 366.534 4.593 50 0 FJAARO COc1cccc(NC(=O)[C@H]([NH2+]CCC2=CCCCC2)c2ccccc2)c1 ZINC000003351487 571348165 /nfs/dbraw/zinc/34/81/65/571348165.db2.gz LGJFTMWAOSYOOQ-JOCHJYFZSA-N 1 0 364.489 4.855 50 0 FJAARO C[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)c1cccc(Cl)c1 ZINC000003401618 571349099 /nfs/dbraw/zinc/34/90/99/571349099.db2.gz UGEMZLZPQSSQAS-ABAIWWIYSA-N 1 0 374.695 4.737 50 0 FJAARO CCc1ccc(NC(=S)N(CCC[NH+](CC)CC)Cc2ccco2)cc1 ZINC000003662415 571352087 /nfs/dbraw/zinc/35/20/87/571352087.db2.gz PNXSBZUXLDJZAI-UHFFFAOYSA-N 1 0 373.566 4.773 50 0 FJAARO Cc1ccc(NC(=S)N(CC[NH+]2CCCCCC2)Cc2ccco2)cc1 ZINC000003665461 571352096 /nfs/dbraw/zinc/35/20/96/571352096.db2.gz KUNCRAIZKZDHBM-UHFFFAOYSA-N 1 0 371.550 4.663 50 0 FJAARO Cc1cccc(NC(=S)N(CC[NH+]2CCCCCC2)Cc2ccco2)c1 ZINC000003665496 571352163 /nfs/dbraw/zinc/35/21/63/571352163.db2.gz RIKLFBAPFJTJCU-UHFFFAOYSA-N 1 0 371.550 4.663 50 0 FJAARO Cc1cccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2cccs2)c1 ZINC000003665481 571352182 /nfs/dbraw/zinc/35/21/82/571352182.db2.gz CDVZLOBKPVFLQV-UHFFFAOYSA-N 1 0 373.591 4.741 50 0 FJAARO C[C@H](CCc1ccco1)[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000004073603 571354772 /nfs/dbraw/zinc/35/47/72/571354772.db2.gz ORYWHTWXSGORLG-XRDUCJSESA-N 1 0 371.521 4.505 50 0 FJAARO C[C@@H](C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000000757438 219319033 /nfs/dbraw/zinc/31/90/33/219319033.db2.gz SZWMKEAQKQRUKY-INIZCTEOSA-N 1 0 374.322 4.536 50 0 FJAARO CCCc1nc2ccccc2c(NC(=O)C[NH+]2CCCCCC2)c1CC ZINC000000823161 219326960 /nfs/dbraw/zinc/32/69/60/219326960.db2.gz QXTDGLXAYKNNGV-UHFFFAOYSA-N 1 0 353.510 4.564 50 0 FJAARO CC[NH+](CC)CCNc1nc(-c2cccc(Cl)c2)nc2ccccc21 ZINC000000941403 219343944 /nfs/dbraw/zinc/34/39/44/219343944.db2.gz QLXNEZQKNDJLCI-UHFFFAOYSA-N 1 0 354.885 4.704 50 0 FJAARO CC[N@H+](Cc1ccccc1)C1CCN(Cc2ccc(SC)cc2)CC1 ZINC000001157793 219383303 /nfs/dbraw/zinc/38/33/03/219383303.db2.gz QYBAPVCAKUOYGY-UHFFFAOYSA-N 1 0 354.563 4.895 50 0 FJAARO COc1cc(C[N@@H+]2CCc3ccccc3C2)ccc1OCc1ccccc1 ZINC000001228008 219391907 /nfs/dbraw/zinc/39/19/07/219391907.db2.gz LHOOYMZJOWNTQQ-UHFFFAOYSA-N 1 0 359.469 4.833 50 0 FJAARO CC[NH+](CC)CCCn1c2c(c(=S)nc1-c1ccccc1)CCCC2 ZINC000002452944 219445513 /nfs/dbraw/zinc/44/55/13/219445513.db2.gz GLBKZNWAPGVTEX-UHFFFAOYSA-N 1 0 355.551 4.890 50 0 FJAARO C[N@H+](C1CCCCC1)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000003058469 219485940 /nfs/dbraw/zinc/48/59/40/219485940.db2.gz CVPJQXJVSFYPIC-UHFFFAOYSA-N 1 0 365.974 4.766 50 0 FJAARO O=C(Nc1sc2c(c1C[NH+]1CCCCC1)CCCC2)c1ccccc1 ZINC000003118683 219488063 /nfs/dbraw/zinc/48/80/63/219488063.db2.gz YSIIQRGYAANLCP-UHFFFAOYSA-N 1 0 354.519 4.865 50 0 FJAARO CCCCCC[n+]1ccccc1/C=C/c1ccc(OC)c(OC)c1OC ZINC000004118586 219544600 /nfs/dbraw/zinc/54/46/00/219544600.db2.gz AYZVARJBOOLKSG-WYMLVPIESA-N 1 0 356.486 4.751 50 0 FJAARO CCOc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)o2)cc1 ZINC000216194638 209648673 /nfs/dbraw/zinc/64/86/73/209648673.db2.gz OKWWYQAERVTQFR-GOSISDBHSA-N 1 0 363.461 4.515 50 0 FJAARO COc1ccc(Br)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000004685561 219595480 /nfs/dbraw/zinc/59/54/80/219595480.db2.gz UCAHJECAHMOSHI-UHFFFAOYSA-N 1 0 350.300 4.516 50 0 FJAARO CC1(C)C[C@H]([NH2+]C2CCN(c3cccc(-c4ccccc4)c3)CC2)CCO1 ZINC000063833971 535367805 /nfs/dbraw/zinc/36/78/05/535367805.db2.gz NMZXTWOFBNQRIY-JOCHJYFZSA-N 1 0 364.533 4.870 50 0 FJAARO CC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000008227142 219853148 /nfs/dbraw/zinc/85/31/48/219853148.db2.gz WULAERKIFVEHFW-UHFFFAOYSA-N 1 0 364.283 4.536 50 0 FJAARO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008326661 219860205 /nfs/dbraw/zinc/86/02/05/219860205.db2.gz ZLIVIUPUXLYVDY-ZDUSSCGKSA-N 1 0 351.849 4.955 50 0 FJAARO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000004073600 209410662 /nfs/dbraw/zinc/41/06/62/209410662.db2.gz ORYWHTWXSGORLG-ORJKNLTESA-N 1 0 371.521 4.505 50 0 FJAARO O=C(c1cccc(-c2cccc(Cl)c2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000299778853 223092170 /nfs/dbraw/zinc/09/21/70/223092170.db2.gz QWCHLPJXRLQCGJ-UHFFFAOYSA-N 1 0 368.908 4.707 50 0 FJAARO C[C@@H]([NH2+]Cc1c[nH]nc1-c1cccs1)c1ccccc1Br ZINC000012531657 220003980 /nfs/dbraw/zinc/00/39/80/220003980.db2.gz LDYUMPFAAROPIT-LLVKDONJSA-N 1 0 362.296 4.752 50 0 FJAARO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccnc1 ZINC000012544016 220005908 /nfs/dbraw/zinc/00/59/08/220005908.db2.gz VOIORSTZVJYATC-KRWDZBQOSA-N 1 0 372.447 4.924 50 0 FJAARO Cc1ccc(CSc2ccccc2NC(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000097117385 209170876 /nfs/dbraw/zinc/17/08/76/209170876.db2.gz KPYPGJGQBKAZSF-SFHVURJKSA-N 1 0 369.534 4.632 50 0 FJAARO C[N@H+](Cc1ccccc1NC(=O)COc1cccc(F)c1)C1CCCCC1 ZINC000012729296 220022742 /nfs/dbraw/zinc/02/27/42/220022742.db2.gz SSFUGLDXMFFQAT-UHFFFAOYSA-N 1 0 370.468 4.608 50 0 FJAARO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(Br)cc1 ZINC000012673080 220017030 /nfs/dbraw/zinc/01/70/30/220017030.db2.gz ZPANNUMIMZUMEQ-FZKQIMNGSA-N 1 0 373.294 4.517 50 0 FJAARO Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](CC(C)C)CC2)c1 ZINC000096281061 209149155 /nfs/dbraw/zinc/14/91/55/209149155.db2.gz USAQRQUGAGOVIN-UHFFFAOYSA-N 1 0 368.496 4.901 50 0 FJAARO Cc1ccc(Cl)c(OC[C@H](O)Cn2c3ccccc3nc2C(C)C)c1 ZINC000013425421 220066987 /nfs/dbraw/zinc/06/69/87/220066987.db2.gz GAKXMGPYGDIPID-OAHLLOKOSA-N 1 0 358.869 4.561 50 0 FJAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=S)Nc2cccc(Cl)c2)C1 ZINC000013524040 220071123 /nfs/dbraw/zinc/07/11/23/220071123.db2.gz UEAXCDRBRBTKKU-CVEARBPZSA-N 1 0 373.953 4.710 50 0 FJAARO CCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1OC ZINC000013723021 220089132 /nfs/dbraw/zinc/08/91/32/220089132.db2.gz HPHIDUVNLAYTSG-UHFFFAOYSA-N 1 0 354.277 4.733 50 0 FJAARO COc1ccccc1CC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000013718812 220089277 /nfs/dbraw/zinc/08/92/77/220089277.db2.gz PRAGAOKTAAIRTP-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO CCCCOCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000013719932 220089812 /nfs/dbraw/zinc/08/98/12/220089812.db2.gz DADYUKJYEHHYCD-UHFFFAOYSA-N 1 0 371.521 4.879 50 0 FJAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc3ccccc3s2)cc1 ZINC000014199618 220116162 /nfs/dbraw/zinc/11/61/62/220116162.db2.gz GTUDMFCLFJIHHJ-UHFFFAOYSA-N 1 0 352.503 4.673 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)cc1 ZINC000015067842 220144474 /nfs/dbraw/zinc/14/44/74/220144474.db2.gz DRBXNLPWSGZYOP-OAHLLOKOSA-N 1 0 371.406 4.874 50 0 FJAARO CCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000015671459 220159293 /nfs/dbraw/zinc/15/92/93/220159293.db2.gz GNJJDRGAGHHAKN-UHFFFAOYSA-N 1 0 351.446 4.522 50 0 FJAARO COc1ccc2oc(=O)cc(C[N@@H+](Cc3ccc(F)cc3)CC(C)C)c2c1 ZINC000015671458 220159691 /nfs/dbraw/zinc/15/96/91/220159691.db2.gz RISMRRNEAFEJQZ-UHFFFAOYSA-N 1 0 369.436 4.599 50 0 FJAARO O[C@H](C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000016477538 220185195 /nfs/dbraw/zinc/18/51/95/220185195.db2.gz UHRUYXHKSMDWLY-OAQYLSRUSA-N 1 0 367.876 4.742 50 0 FJAARO CCC[C@@](O)(c1ccc(O)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000016490201 220185654 /nfs/dbraw/zinc/18/56/54/220185654.db2.gz PHQMTFDPHUMHIK-XZOQPEGZSA-N 1 0 353.506 4.650 50 0 FJAARO CCOc1c(Cl)cc(C[NH2+]CCc2c[nH]c3ccccc23)cc1OC ZINC000002181872 206903815 /nfs/dbraw/zinc/90/38/15/206903815.db2.gz HVJXSDHSSDGTJB-UHFFFAOYSA-N 1 0 358.869 4.561 50 0 FJAARO CC1CC[NH+](CCCCOc2ccc(Br)cc2Cl)CC1 ZINC000002957204 206948842 /nfs/dbraw/zinc/94/88/42/206948842.db2.gz XTXKKNDBBJSVMZ-UHFFFAOYSA-N 1 0 360.723 4.993 50 0 FJAARO CC[NH+](CC)CCN(C(=O)c1cccs1)c1nc2ccc(C)cc2s1 ZINC000004359430 207016000 /nfs/dbraw/zinc/01/60/00/207016000.db2.gz PTTVQDUVHLIUKO-UHFFFAOYSA-N 1 0 373.547 4.655 50 0 FJAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(Br)cc1 ZINC000004678570 207036475 /nfs/dbraw/zinc/03/64/75/207036475.db2.gz IOQXWFYNFMFCBX-UHFFFAOYSA-N 1 0 360.230 4.601 50 0 FJAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1ccccc1F ZINC000004678229 207036535 /nfs/dbraw/zinc/03/65/35/207036535.db2.gz QHQKZQAAWYDXGU-UHFFFAOYSA-N 1 0 360.230 4.601 50 0 FJAARO COc1cc2c(cc1OC)C[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000004986933 207069780 /nfs/dbraw/zinc/06/97/80/207069780.db2.gz GYXNTGHNDUVIDL-UHFFFAOYSA-N 1 0 371.480 4.833 50 0 FJAARO CCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccc(C)cc1 ZINC000004999707 207070384 /nfs/dbraw/zinc/07/03/84/207070384.db2.gz RDRVLSRZILNVFH-UHFFFAOYSA-N 1 0 362.473 4.658 50 0 FJAARO FC(F)Oc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCCCC3)cc1 ZINC000005572293 207106330 /nfs/dbraw/zinc/10/63/30/207106330.db2.gz AZSMSXAKQMXWCL-UHFFFAOYSA-N 1 0 355.408 4.760 50 0 FJAARO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000006598482 207148842 /nfs/dbraw/zinc/14/88/42/207148842.db2.gz VVLRHHWLHILNTA-FOIQADDNSA-N 1 0 372.896 4.760 50 0 FJAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(Cl)c1 ZINC000006877344 207174055 /nfs/dbraw/zinc/17/40/55/207174055.db2.gz YDGFGOILAWDBMZ-UHFFFAOYSA-N 1 0 363.933 4.768 50 0 FJAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1Cl ZINC000006877340 207174322 /nfs/dbraw/zinc/17/43/22/207174322.db2.gz RPBMBDNVQFOQLY-UHFFFAOYSA-N 1 0 363.933 4.768 50 0 FJAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2oc3ccccc3c2C)cc1 ZINC000007828755 207208599 /nfs/dbraw/zinc/20/85/99/207208599.db2.gz WRJIIYUDRAQNNL-UHFFFAOYSA-N 1 0 350.462 4.513 50 0 FJAARO CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008227226 207225353 /nfs/dbraw/zinc/22/53/53/207225353.db2.gz ZRMMKOVNGSDOFF-UHFFFAOYSA-N 1 0 354.675 4.791 50 0 FJAARO Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000009834621 207287230 /nfs/dbraw/zinc/28/72/30/207287230.db2.gz SQBIWQXZWMPRCU-JKSBSHDWSA-N 1 0 350.506 4.961 50 0 FJAARO Cc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1C ZINC000010139645 207296145 /nfs/dbraw/zinc/29/61/45/207296145.db2.gz KUQBRNVOOPXZAO-UHFFFAOYSA-N 1 0 361.489 4.603 50 0 FJAARO CCOc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000010436543 207300643 /nfs/dbraw/zinc/30/06/43/207300643.db2.gz UNSCEUPCNZVOIK-UHFFFAOYSA-N 1 0 364.327 4.906 50 0 FJAARO CCOc1c(C[NH2+]C2CCCCCC2)cc(Br)cc1OC ZINC000010475303 207301777 /nfs/dbraw/zinc/30/17/77/207301777.db2.gz FAGHGKMMWGYPPS-UHFFFAOYSA-N 1 0 356.304 4.669 50 0 FJAARO COc1ccc(C[NH+]2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)cc1 ZINC000011964583 207332153 /nfs/dbraw/zinc/33/21/53/207332153.db2.gz MGBTZMDWUFSSSG-UHFFFAOYSA-N 1 0 365.452 4.604 50 0 FJAARO O=C1CC[C@H]([N@@H+]2CC[C@@H]3CCCC[C@H]3C2)CCN1Cc1ccccc1Cl ZINC000012218121 207348879 /nfs/dbraw/zinc/34/88/79/207348879.db2.gz JSYSWNKHUVBVIV-BJLQDIEVSA-N 1 0 374.956 4.733 50 0 FJAARO C[C@H](CC[N@@H+]1CCOc2c(O)cc(-c3cccnc3)cc2C1)c1ccccc1 ZINC000012247643 207351256 /nfs/dbraw/zinc/35/12/56/207351256.db2.gz JXMSEMNRMWZDEF-GOSISDBHSA-N 1 0 374.484 4.842 50 0 FJAARO CCOc1ccc(-c2nc(C[NH+]3CCC(CCCOC)CC3)c(C)o2)cc1 ZINC000012442347 207377917 /nfs/dbraw/zinc/37/79/17/207377917.db2.gz CSOVBCKAWPHNDQ-UHFFFAOYSA-N 1 0 372.509 4.687 50 0 FJAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000013325238 207458747 /nfs/dbraw/zinc/45/87/47/207458747.db2.gz LMNKOFLOHIRDIH-UHFFFAOYSA-N 1 0 363.383 4.945 50 0 FJAARO CCOc1ccc(C[N@H+](CC)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000033018801 208066818 /nfs/dbraw/zinc/06/68/18/208066818.db2.gz RTWIKBYIPCQAOT-UHFFFAOYSA-N 1 0 365.473 4.831 50 0 FJAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2sccc2C)cc(OC)c1O ZINC000033087141 208070430 /nfs/dbraw/zinc/07/04/30/208070430.db2.gz HHKJOAVKCILZFL-INIZCTEOSA-N 1 0 361.507 4.897 50 0 FJAARO CC(C)[N@@H+](Cc1ccccc1Cl)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036102029 208147698 /nfs/dbraw/zinc/14/76/98/208147698.db2.gz RJBQOBDLUGMNRM-KRWDZBQOSA-N 1 0 368.304 4.644 50 0 FJAARO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000040720635 208262965 /nfs/dbraw/zinc/26/29/65/208262965.db2.gz MNWDAKKQYIBYPD-OAQYLSRUSA-N 1 0 372.940 4.801 50 0 FJAARO Clc1cccc(Cl)c1COc1ccccc1C[NH2+]C[C@@H]1CCCO1 ZINC000040731771 208265409 /nfs/dbraw/zinc/26/54/09/208265409.db2.gz XJOCIDXNAPQTHL-HNNXBMFYSA-N 1 0 366.288 4.841 50 0 FJAARO CCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccccc1C ZINC000040736683 208266183 /nfs/dbraw/zinc/26/61/83/208266183.db2.gz VZHXBCBVIVINSD-UHFFFAOYSA-N 1 0 362.473 4.658 50 0 FJAARO CC(C)OCCC[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000040738769 208266350 /nfs/dbraw/zinc/26/63/50/208266350.db2.gz DHJSCXSRJDRIAB-UHFFFAOYSA-N 1 0 365.876 4.963 50 0 FJAARO CCOCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000040722814 208266462 /nfs/dbraw/zinc/26/64/62/208266462.db2.gz UPXFZBUSGCNLME-UHFFFAOYSA-N 1 0 351.849 4.574 50 0 FJAARO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]CCCCO)cc1 ZINC000040744153 208267495 /nfs/dbraw/zinc/26/74/95/208267495.db2.gz HHPGMISKOBNJSN-UHFFFAOYSA-N 1 0 368.304 4.743 50 0 FJAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040743593 208268478 /nfs/dbraw/zinc/26/84/78/208268478.db2.gz HWFCADHRJRRMHM-OAHLLOKOSA-N 1 0 360.885 4.554 50 0 FJAARO COCCC[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743398 208269330 /nfs/dbraw/zinc/26/93/30/208269330.db2.gz NJCSHFCRNAUNCP-UHFFFAOYSA-N 1 0 372.267 4.838 50 0 FJAARO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)oc2C)c1 ZINC000048299926 208399064 /nfs/dbraw/zinc/39/90/64/208399064.db2.gz YRGKLFZIGNXQRF-FQEVSTJZSA-N 1 0 362.473 4.866 50 0 FJAARO Fc1ccc(CN2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000019842495 220300734 /nfs/dbraw/zinc/30/07/34/220300734.db2.gz PCECIMWPOAIRAM-UHFFFAOYSA-N 1 0 352.497 4.670 50 0 FJAARO Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CC[NH2+]Cc1cccc(F)c1 ZINC000019848723 220300997 /nfs/dbraw/zinc/30/09/97/220300997.db2.gz ABRQTXWJOXUPCQ-UHFFFAOYSA-N 1 0 366.358 4.846 50 0 FJAARO Fc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1 ZINC000019958723 220306588 /nfs/dbraw/zinc/30/65/88/220306588.db2.gz ODHUXIGSKMAATQ-OAHLLOKOSA-N 1 0 371.406 4.874 50 0 FJAARO Clc1cc(Br)ccc1OCCC[NH2+]Cc1ccccc1 ZINC000002823493 209399119 /nfs/dbraw/zinc/39/91/19/209399119.db2.gz NCXKSMOKOSHEEE-UHFFFAOYSA-N 1 0 354.675 4.661 50 0 FJAARO Fc1ccccc1-n1ncc2c1CCC[C@H]2[NH2+]Cc1cc2ccccc2o1 ZINC000020995762 220347292 /nfs/dbraw/zinc/34/72/92/220347292.db2.gz ARIBKSYBEYREGI-LJQANCHMSA-N 1 0 361.420 4.925 50 0 FJAARO CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)cc1 ZINC000021170847 220355043 /nfs/dbraw/zinc/35/50/43/220355043.db2.gz ZEOCEAVEAURTIT-NRFANRHFSA-N 1 0 372.553 4.735 50 0 FJAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)cc1 ZINC000021174979 220355114 /nfs/dbraw/zinc/35/51/14/220355114.db2.gz OURLLHAPZXCKIM-UHFFFAOYSA-N 1 0 365.521 4.646 50 0 FJAARO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cnc(-c3ccccc3C)s2)c1C ZINC000065499883 208684667 /nfs/dbraw/zinc/68/46/67/208684667.db2.gz AHKMGJCGWDJQFQ-CQSZACIVSA-N 1 0 354.523 4.803 50 0 FJAARO CCCC[N@H+](CC)CCCNc1ncnc2onc(-c3ccccc3C)c21 ZINC000021714649 220363729 /nfs/dbraw/zinc/36/37/29/220363729.db2.gz ZQHCFAAOLMJPMQ-UHFFFAOYSA-N 1 0 367.497 4.517 50 0 FJAARO c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[NH+]1CCCC1 ZINC000072408255 208847586 /nfs/dbraw/zinc/84/75/86/208847586.db2.gz CXZYOXWVIJTDLR-UHFFFAOYSA-N 1 0 357.457 4.940 50 0 FJAARO CCC[NH2+]Cc1c(OCC(=O)Nc2ccc(C)cc2)ccc2ccccc21 ZINC000040736295 220917592 /nfs/dbraw/zinc/91/75/92/220917592.db2.gz IESFMDANIFACLX-UHFFFAOYSA-N 1 0 362.473 4.665 50 0 FJAARO Cc1ccccc1Oc1ncccc1C[NH2+]Cc1cccn1-c1ccccn1 ZINC000055269931 221064970 /nfs/dbraw/zinc/06/49/70/221064970.db2.gz ZEVDXMFWDXDPHP-UHFFFAOYSA-N 1 0 370.456 4.658 50 0 FJAARO O=c1cc(C[N@H+]2CC=C(c3ccccc3)CC2)c2cc3c(cc2o1)CCC3 ZINC000057315417 221086292 /nfs/dbraw/zinc/08/62/92/221086292.db2.gz MZQNESOAEPDEEC-UHFFFAOYSA-N 1 0 357.453 4.571 50 0 FJAARO C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)c1ccc(F)cc1 ZINC000058160732 221100949 /nfs/dbraw/zinc/10/09/49/221100949.db2.gz ITUAROCNGBXLDZ-SNVBAGLBSA-N 1 0 374.765 4.787 50 0 FJAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2cccs2)c2ccccc2)cc1F ZINC000057508772 221090676 /nfs/dbraw/zinc/09/06/76/221090676.db2.gz ZKHQUIFVUKEQPE-QRWLVFNGSA-N 1 0 368.477 4.902 50 0 FJAARO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000057854139 221095644 /nfs/dbraw/zinc/09/56/44/221095644.db2.gz HXDMCKICWVCTJW-ZIAGYGMSSA-N 1 0 356.853 4.614 50 0 FJAARO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000057854129 221095732 /nfs/dbraw/zinc/09/57/32/221095732.db2.gz HXDMCKICWVCTJW-KGLIPLIRSA-N 1 0 356.853 4.614 50 0 FJAARO Cc1cc(C)cc(NC(=S)N2CCCN(Cc3cccc(Cl)c3)C2)c1 ZINC000058096586 221098170 /nfs/dbraw/zinc/09/81/70/221098170.db2.gz UNVPVQHGBGIVJF-UHFFFAOYSA-N 1 0 373.953 4.819 50 0 FJAARO Cc1cccc(C)c1NC(=S)N1CCCN(Cc2cccc(Cl)c2)C1 ZINC000058096560 221098280 /nfs/dbraw/zinc/09/82/80/221098280.db2.gz KUFIGKQYFUXPSM-UHFFFAOYSA-N 1 0 373.953 4.819 50 0 FJAARO CCc1cccc(NC(=S)N2CCCN(Cc3cc(C)ccc3C)C2)c1 ZINC000058096623 221098816 /nfs/dbraw/zinc/09/88/16/221098816.db2.gz KICJTLXDYLUAEN-UHFFFAOYSA-N 1 0 367.562 4.728 50 0 FJAARO Cc1ccc2c(C[N@H+](C)CCOc3ccc(Cl)cc3)cc(=O)oc2c1C ZINC000058157496 221099757 /nfs/dbraw/zinc/09/97/57/221099757.db2.gz IBRYMAIKRWTLFL-UHFFFAOYSA-N 1 0 371.864 4.574 50 0 FJAARO CCCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)CCC)ccc21 ZINC000065322367 221200335 /nfs/dbraw/zinc/20/03/35/221200335.db2.gz IPMQRPGVHHSUKM-UHFFFAOYSA-N 1 0 370.541 4.807 50 0 FJAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000067338627 221253353 /nfs/dbraw/zinc/25/33/53/221253353.db2.gz PGFWLFDTNNQVNQ-UHFFFAOYSA-N 1 0 366.505 4.709 50 0 FJAARO CC(C)c1cc(C2CC[NH+](Cc3ccc([C@@H]4CCCCO4)o3)CC2)[nH]n1 ZINC000067804103 221286865 /nfs/dbraw/zinc/28/68/65/221286865.db2.gz PSPWMLIZTUJKGU-FQEVSTJZSA-N 1 0 357.498 4.747 50 0 FJAARO Cc1nc(C[N@@H+]2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)co1 ZINC000071639689 221353351 /nfs/dbraw/zinc/35/33/51/221353351.db2.gz NWUHIZHXYFSYOR-MRXNPFEDSA-N 1 0 352.400 4.847 50 0 FJAARO Fc1ccccc1N1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000000753460 132378237 /nfs/dbraw/zinc/37/82/37/132378237.db2.gz PQYUGFBLWRFQTR-UHFFFAOYSA-N 1 0 360.476 4.780 50 0 FJAARO Cc1ccc(Cl)cc1N1CC[NH+](Cc2csc3c2CCCC3)CC1 ZINC000057992712 136130364 /nfs/dbraw/zinc/13/03/64/136130364.db2.gz MAMRINAEHUYPFU-UHFFFAOYSA-N 1 0 360.954 4.911 50 0 FJAARO CC(C)(C)[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc2ccccc2o1 ZINC000095996233 221987249 /nfs/dbraw/zinc/98/72/49/221987249.db2.gz HCCDCFZJUMPLFN-QFIPXVFZSA-N 1 0 374.488 4.950 50 0 FJAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccoc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000011817955 263368157 /nfs/dbraw/zinc/36/81/57/263368157.db2.gz SRDWQUPMKLKIEU-IBGZPJMESA-N 1 0 374.484 4.589 50 0 FJAARO CCN(C(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)c1ccccc1 ZINC000089969507 520013621 /nfs/dbraw/zinc/01/36/21/520013621.db2.gz JULUHDCHCDJRIQ-GOSISDBHSA-N 1 0 373.500 4.699 50 0 FJAARO CCCOc1c(Cl)cc(C[NH2+]Cc2ccc(OC)cc2)cc1OCC ZINC000020932082 520296804 /nfs/dbraw/zinc/29/68/04/520296804.db2.gz FIONPOMPKBSLSC-UHFFFAOYSA-N 1 0 363.885 4.826 50 0 FJAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000020930248 520297194 /nfs/dbraw/zinc/29/71/94/520297194.db2.gz QNSWJQKHXPKPNC-KRWDZBQOSA-N 1 0 354.277 4.605 50 0 FJAARO CCCOc1ccc(Br)cc1C[NH2+]Cc1ccc(OC)cc1 ZINC000020929405 520326100 /nfs/dbraw/zinc/32/61/00/520326100.db2.gz WOWDSKLAGCAREY-UHFFFAOYSA-N 1 0 364.283 4.536 50 0 FJAARO CCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876180 520692533 /nfs/dbraw/zinc/69/25/33/520692533.db2.gz MYOYLBROPCVKIN-UHFFFAOYSA-N 1 0 351.849 4.956 50 0 FJAARO CC1=C(C)[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)N([C@H](C)CCc2ccccc2)C1=O ZINC000245253566 520840472 /nfs/dbraw/zinc/84/04/72/520840472.db2.gz HVPIHAPTVNHLJF-BRZWXCIUSA-N 1 0 368.565 4.927 50 0 FJAARO CCC[C@]1(O)C[C@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@H]1C ZINC000239248000 521322884 /nfs/dbraw/zinc/32/28/84/521322884.db2.gz XVMYIMXBHZVAHC-PMQPGWGVSA-N 1 0 369.505 4.647 50 0 FJAARO C[NH+]1CCN(c2cc(-c3ccc4ccccc4c3)nc3ccccc32)CC1 ZINC000000632255 523921857 /nfs/dbraw/zinc/92/18/57/523921857.db2.gz XLKNYJHOWPSASL-UHFFFAOYSA-N 1 0 353.469 4.807 50 0 FJAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000020889688 525155777 /nfs/dbraw/zinc/15/57/77/525155777.db2.gz OQCKTJIYOCSXTK-UHFFFAOYSA-N 1 0 365.521 4.646 50 0 FJAARO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1cccc(Br)c1 ZINC000078265922 525295399 /nfs/dbraw/zinc/29/53/99/525295399.db2.gz NWMLNMAZGPQPMX-INIZCTEOSA-N 1 0 373.338 4.764 50 0 FJAARO C[C@H]([NH2+]CC[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)c1cccs1 ZINC000239338677 525362587 /nfs/dbraw/zinc/36/25/87/525362587.db2.gz KXPJSSIVKJYOLN-JBACZVJFSA-N 1 0 371.590 5.853 50 0 FJAARO C[C@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1cccc(Br)c1 ZINC000089905153 525478759 /nfs/dbraw/zinc/47/87/59/525478759.db2.gz CUGVIBJJOJYWDL-XHDPSFHLSA-N 1 0 367.312 4.608 50 0 FJAARO Cc1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)cc1Cl ZINC000020876605 525751260 /nfs/dbraw/zinc/75/12/60/525751260.db2.gz HJRSOWKVBIGVKG-UHFFFAOYSA-N 1 0 355.821 4.927 50 0 FJAARO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000048290930 526081143 /nfs/dbraw/zinc/08/11/43/526081143.db2.gz ZBJGOSXLDCIFGY-HXUWFJFHSA-N 1 0 366.436 4.696 50 0 FJAARO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)s1 ZINC000020996382 527256169 /nfs/dbraw/zinc/25/61/69/527256169.db2.gz GXHUYHUQMWFDKI-KRWDZBQOSA-N 1 0 356.535 4.844 50 0 FJAARO CC(C)c1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)no1 ZINC000299782328 528006350 /nfs/dbraw/zinc/00/63/50/528006350.db2.gz MJXTVJMSGVOBCT-JQHSSLGASA-N 1 0 364.449 4.541 50 0 FJAARO O[C@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000001729526 560184485 /nfs/dbraw/zinc/18/44/85/560184485.db2.gz VKLJPGAHSLIQKH-PZJWPPBQSA-N 1 0 352.865 4.731 50 0 in-vitro FJAARO COc1cccc(C[NH2+]C(C)(C)C)c1OCc1ccc(F)cc1Cl ZINC000020876159 568067284 /nfs/dbraw/zinc/06/72/84/568067284.db2.gz UAWIKQXVZZTLMW-UHFFFAOYSA-N 1 0 351.849 4.955 50 0 FJAARO Cc1cncnc1C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000216306008 568117571 /nfs/dbraw/zinc/11/75/71/568117571.db2.gz CNKXGXTVZLHUGY-UHFFFAOYSA-N 1 0 351.425 4.564 50 0 FJAARO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000022776726 568308716 /nfs/dbraw/zinc/30/87/16/568308716.db2.gz JTPANBOUNKKHGC-LLVKDONJSA-N 1 0 370.276 4.870 50 0 FJAARO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCc2ccc(F)c(F)c2)c1 ZINC000095520562 570467358 /nfs/dbraw/zinc/46/73/58/570467358.db2.gz WXOWEPUGBPJLNN-HNNXBMFYSA-N 1 0 373.447 4.661 50 0 FJAARO COc1ccc(C[NH2+]CC[C@@H](c2ccco2)c2ccc(F)cc2)cc1OC ZINC000001818240 570508519 /nfs/dbraw/zinc/50/85/19/570508519.db2.gz GJVCJNGEULTDBS-LJQANCHMSA-N 1 0 369.436 4.748 50 0 FJAARO Cc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccco3)CC2)c1 ZINC000034683027 570532075 /nfs/dbraw/zinc/53/20/75/570532075.db2.gz XWPQVUAXWNZWJM-UHFFFAOYSA-N 1 0 374.484 4.899 50 0 FJAARO CC[N@@H+]1CCC[C@H](OC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)C1 ZINC000004863299 570552619 /nfs/dbraw/zinc/55/26/19/570552619.db2.gz ORONCDNHWTZLKC-IBGZPJMESA-N 1 0 374.484 4.851 50 0 FJAARO FC(F)(F)c1cc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)ccc1Cl ZINC000007986239 570563843 /nfs/dbraw/zinc/56/38/43/570563843.db2.gz QKVBNLVRZOTSQC-GFCCVEGCSA-N 1 0 359.775 4.887 50 0 FJAARO FC(F)(F)c1cc(N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2n1 ZINC000004365010 570587447 /nfs/dbraw/zinc/58/74/47/570587447.db2.gz VBOKHXISZFVDHU-UHFFFAOYSA-N 1 0 371.406 4.576 50 0 FJAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccc(Cl)cc1 ZINC000004413558 570590192 /nfs/dbraw/zinc/59/01/92/570590192.db2.gz WQKKJLNOWMZBOW-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO COc1cc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)ccc1OCc1c(C)noc1C ZINC000247922804 570592070 /nfs/dbraw/zinc/59/20/70/570592070.db2.gz YHMSQQLGCFGBKM-BXTJHSDWSA-N 1 0 372.509 4.793 50 0 FJAARO COc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)ccc1OCc1c(C)noc1C ZINC000247922807 570592170 /nfs/dbraw/zinc/59/21/70/570592170.db2.gz YHMSQQLGCFGBKM-STXHMFSFSA-N 1 0 372.509 4.793 50 0 FJAARO CC1=C[C@H](C)[C@H](CN(CCC[NH+](C)C)C(=O)Nc2ccccc2)[C@H](C)C1 ZINC000004670473 570600062 /nfs/dbraw/zinc/60/00/62/570600062.db2.gz BTSDULYOJUKWAH-ZVDOUQERSA-N 1 0 357.542 4.711 50 0 FJAARO CCOc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OCC ZINC000004670834 570600274 /nfs/dbraw/zinc/60/02/74/570600274.db2.gz ZMJFIIDLPSDJKA-UHFFFAOYSA-N 1 0 364.283 4.536 50 0 FJAARO COc1cccc(N2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)c1 ZINC000004980225 570615614 /nfs/dbraw/zinc/61/56/14/570615614.db2.gz BYPYMPLRVUSQHR-UHFFFAOYSA-N 1 0 370.496 4.589 50 0 FJAARO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000005048851 570619629 /nfs/dbraw/zinc/61/96/29/570619629.db2.gz LBEWSFNIOHWDPK-GOSISDBHSA-N 1 0 373.500 4.506 50 0 FJAARO CCCOc1ccc([C@@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000002294685 570641417 /nfs/dbraw/zinc/64/14/17/570641417.db2.gz MAZZASHVOPNVPI-XZOQPEGZSA-N 1 0 353.506 4.779 50 0 FJAARO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](CO)C1)oc(C)c2-c1ccccc1 ZINC000584904371 570663828 /nfs/dbraw/zinc/66/38/28/570663828.db2.gz OLXQWWFDLYRBEL-QGZVFWFLSA-N 1 0 365.473 4.621 50 0 FJAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCCc1ccccc1 ZINC000007540153 570666412 /nfs/dbraw/zinc/66/64/12/570666412.db2.gz FKBSJUJBYFSXST-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)cc1 ZINC000007541157 570666430 /nfs/dbraw/zinc/66/64/30/570666430.db2.gz JSNRTJISKFNOCF-MRXNPFEDSA-N 1 0 360.457 4.814 50 0 FJAARO COc1cccc(C[NH2+]C2CC2)c1OCc1ccc(Cl)cc1Cl ZINC000008495414 570682562 /nfs/dbraw/zinc/68/25/62/570682562.db2.gz VCIILKLPXLMXME-UHFFFAOYSA-N 1 0 352.261 4.833 50 0 FJAARO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCc1ccc(F)cc1 ZINC000008495394 570682583 /nfs/dbraw/zinc/68/25/83/570682583.db2.gz AKAUFBJKGLMLSR-UHFFFAOYSA-N 1 0 369.411 4.842 50 0 FJAARO C[C@@H](O)C[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000008535040 570682924 /nfs/dbraw/zinc/68/29/24/570682924.db2.gz KYZUSUPIICSWNS-OAHLLOKOSA-N 1 0 355.865 4.543 50 0 FJAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)n1 ZINC000011667973 570705207 /nfs/dbraw/zinc/70/52/07/570705207.db2.gz DESFKVDNHFKWMY-FQEVSTJZSA-N 1 0 370.496 4.737 50 0 FJAARO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000011821815 570708812 /nfs/dbraw/zinc/70/88/12/570708812.db2.gz CAGJKLHHMLIEAC-NRFANRHFSA-N 1 0 365.477 4.610 50 0 FJAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000011879372 570710792 /nfs/dbraw/zinc/71/07/92/570710792.db2.gz UCHPXRXBGADQOU-GOSISDBHSA-N 1 0 366.486 4.859 50 0 FJAARO COCCCC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000012073390 570716589 /nfs/dbraw/zinc/71/65/89/570716589.db2.gz PAWJNESLVLXJGJ-UHFFFAOYSA-N 1 0 362.901 4.942 50 0 FJAARO CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)ccc1O ZINC000012073397 570716609 /nfs/dbraw/zinc/71/66/09/570716609.db2.gz UBZVNRRYVNPENZ-QGZVFWFLSA-N 1 0 373.880 4.539 50 0 FJAARO CC(=O)c1cccc(C[NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)c1 ZINC000012093032 570718117 /nfs/dbraw/zinc/71/81/17/570718117.db2.gz RQGCTGUNRVDCKC-JOCHJYFZSA-N 1 0 373.500 4.878 50 0 FJAARO Fc1ccccc1-n1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc2cnccc21 ZINC000012313988 570735866 /nfs/dbraw/zinc/73/58/66/570735866.db2.gz GCVZUSNBKMBZMD-NRFANRHFSA-N 1 0 372.447 4.727 50 0 FJAARO CN(Cc1cccs1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012466217 570748031 /nfs/dbraw/zinc/74/80/31/570748031.db2.gz SEZJURVFYAGFPC-GOSISDBHSA-N 1 0 362.970 4.788 50 0 FJAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000017315469 570749008 /nfs/dbraw/zinc/74/90/08/570749008.db2.gz HOXQBHUEGFBXLZ-HNNXBMFYSA-N 1 0 369.459 4.986 50 0 FJAARO CC(C)c1csc(CN2CCC(CO)(CCCc3ccccc3)CC2)n1 ZINC000012759182 570759866 /nfs/dbraw/zinc/75/98/66/570759866.db2.gz SNNQNUUCGUIGHR-UHFFFAOYSA-N 1 0 372.578 4.864 50 0 FJAARO Brc1csc(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000004990318 570775057 /nfs/dbraw/zinc/77/50/57/570775057.db2.gz RADOWZAQXFZLBA-UHFFFAOYSA-N 1 0 350.325 4.965 50 0 FJAARO CCOc1cc(C[NH2+]CCC2=CCCCC2)cc(Br)c1OC ZINC000013723755 570787254 /nfs/dbraw/zinc/78/72/54/570787254.db2.gz PHAQBOIIYPOUCL-UHFFFAOYSA-N 1 0 368.315 4.837 50 0 FJAARO OCCCCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013727289 570787694 /nfs/dbraw/zinc/78/76/94/570787694.db2.gz FYPGPRRYDVFGPA-UHFFFAOYSA-N 1 0 356.897 4.595 50 0 FJAARO COCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000008469022 570795956 /nfs/dbraw/zinc/79/59/56/570795956.db2.gz UMIFTWAGLQSPNV-UHFFFAOYSA-N 1 0 355.865 4.808 50 0 FJAARO Cc1cc(CN(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)on1 ZINC000173742994 570806085 /nfs/dbraw/zinc/80/60/85/570806085.db2.gz CLRXKAACEJMINU-UHFFFAOYSA-N 1 0 364.474 4.529 50 0 FJAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCCC[C@H]1CO ZINC000015072490 570831561 /nfs/dbraw/zinc/83/15/61/570831561.db2.gz PNJICVHJGOOWOE-NRFANRHFSA-N 1 0 362.473 4.664 50 0 FJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc4ccccc42)N3)C1 ZINC000004556143 570834623 /nfs/dbraw/zinc/83/46/23/570834623.db2.gz SKXFROFUGNUYEG-IBGZPJMESA-N 1 0 363.486 4.708 50 0 FJAARO COc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc(Cl)c1OC ZINC000013723052 570838443 /nfs/dbraw/zinc/83/84/43/570838443.db2.gz PNPZWKHJRSCTKR-UHFFFAOYSA-N 1 0 374.695 4.996 50 0 FJAARO CCCOc1ccc([C@](O)(CC[NH+]2CCCCC2)c2ccc(C)cc2)cc1 ZINC000015836992 570845339 /nfs/dbraw/zinc/84/53/39/570845339.db2.gz XXSXPVUITMQTJP-DEOSSOPVSA-N 1 0 367.533 4.896 50 0 FJAARO Fc1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2F)cc1 ZINC000016449697 570856228 /nfs/dbraw/zinc/85/62/28/570856228.db2.gz LAIGYDDTXJLZOI-UHFFFAOYSA-N 1 0 353.412 4.876 50 0 FJAARO c1ccc(COc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000019359479 570887513 /nfs/dbraw/zinc/88/75/13/570887513.db2.gz JHUOYCZWDRDGTI-UHFFFAOYSA-N 1 0 372.512 4.583 50 0 FJAARO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019770494 570902342 /nfs/dbraw/zinc/90/23/42/570902342.db2.gz HEKUMTWUINMLJB-UHFFFAOYSA-N 1 0 356.469 4.806 50 0 FJAARO CC(C)C(NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)C(C)C ZINC000019850225 570904954 /nfs/dbraw/zinc/90/49/54/570904954.db2.gz WKFBFLSXYQHAFO-UHFFFAOYSA-N 1 0 364.533 4.655 50 0 FJAARO C[C@@H]1CCC[C@H]([NH2+][C@H]2C3=C(CCCC3)C(=O)N2Cc2ccccc2)[C@@H]1C ZINC000020130471 570910908 /nfs/dbraw/zinc/91/09/08/570910908.db2.gz RROFHMUQHXNYJT-FTIBCMOBSA-N 1 0 352.522 4.640 50 0 FJAARO O[C@H](C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000109010641 570911039 /nfs/dbraw/zinc/91/10/39/570911039.db2.gz KWMNCKCOOLDATE-MAUKXSAKSA-N 1 0 372.921 4.863 50 0 FJAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC(C)C)cc1)[NH2+]CC2 ZINC000020507003 570919293 /nfs/dbraw/zinc/91/92/93/570919293.db2.gz GDECODBDFLBNHY-QFIPXVFZSA-N 1 0 355.478 4.506 50 0 FJAARO Clc1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)n2)c1 ZINC000020598247 570920542 /nfs/dbraw/zinc/92/05/42/570920542.db2.gz ILJWZMYJAWUNOA-KRWDZBQOSA-N 1 0 353.853 4.770 50 0 FJAARO CCCOc1c(Br)cc(C[NH2+]C2CCCC2)cc1OCC ZINC000020932313 570927226 /nfs/dbraw/zinc/92/72/26/570927226.db2.gz QQPGYBUNUCMIIT-UHFFFAOYSA-N 1 0 356.304 4.669 50 0 FJAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000047719276 570929983 /nfs/dbraw/zinc/92/99/83/570929983.db2.gz AQMMFWUCRVZKSO-UHFFFAOYSA-N 1 0 367.312 4.539 50 0 FJAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)o1 ZINC000022077585 570939094 /nfs/dbraw/zinc/93/90/94/570939094.db2.gz PYEFDJYYEKYHKC-GOSISDBHSA-N 1 0 354.538 4.898 50 0 FJAARO C[NH+]1CCN(CCCN2c3ccccc3Sc3cc(Cl)ccc32)CC1 ZINC000022882687 570952127 /nfs/dbraw/zinc/95/21/27/570952127.db2.gz QIIWGPSXDUSNTF-UHFFFAOYSA-N 1 0 373.953 4.580 50 0 FJAARO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000022936802 570953817 /nfs/dbraw/zinc/95/38/17/570953817.db2.gz MWBWEQMWMDFAOP-NRFANRHFSA-N 1 0 372.940 4.801 50 0 FJAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000024189753 570972708 /nfs/dbraw/zinc/97/27/08/570972708.db2.gz GZWVHWKSMBBQJG-UHFFFAOYSA-N 1 0 363.288 4.519 50 0 FJAARO CCc1oc2ccccc2c1C[NH2+]Cc1cccc(NC(=O)C(C)C)c1 ZINC000025063156 570990101 /nfs/dbraw/zinc/99/01/01/570990101.db2.gz ZSXACHRETBGAKO-UHFFFAOYSA-N 1 0 350.462 4.880 50 0 FJAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2F)o1 ZINC000026304744 571004733 /nfs/dbraw/zinc/00/47/33/571004733.db2.gz VTKYUSOBWWIITK-UHFFFAOYSA-N 1 0 361.420 4.870 50 0 FJAARO CSc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222441 571011054 /nfs/dbraw/zinc/01/10/54/571011054.db2.gz HYLKUCDLKLDKIU-NRFANRHFSA-N 1 0 363.530 4.821 50 0 FJAARO Clc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222597 571011234 /nfs/dbraw/zinc/01/12/34/571011234.db2.gz RLLYQTPCEJTSPT-HXUWFJFHSA-N 1 0 351.881 4.752 50 0 FJAARO Cc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027582658 571014686 /nfs/dbraw/zinc/01/46/86/571014686.db2.gz NUZRNNKHLCXEJT-OAQYLSRUSA-N 1 0 370.924 4.996 50 0 FJAARO Cc1c2ccccc2oc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027664678 571018516 /nfs/dbraw/zinc/01/85/16/571018516.db2.gz NWJUAOXOETWRNM-KRWDZBQOSA-N 1 0 368.502 4.760 50 0 FJAARO Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCCCC2)cc1 ZINC000027664374 571018683 /nfs/dbraw/zinc/01/86/83/571018683.db2.gz HVKYOVWGLPIPPN-OAQYLSRUSA-N 1 0 370.924 4.996 50 0 FJAARO Cc1ccc([C@H](CNC(=O)Cc2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000027994293 571025850 /nfs/dbraw/zinc/02/58/50/571025850.db2.gz FVHDMDAJRMWDMM-DEOSSOPVSA-N 1 0 372.512 4.644 50 0 FJAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000028287615 571029244 /nfs/dbraw/zinc/02/92/44/571029244.db2.gz YUIWAOKYULNQRJ-QGZVFWFLSA-N 1 0 368.502 4.678 50 0 FJAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000028292009 571030522 /nfs/dbraw/zinc/03/05/22/571030522.db2.gz IXNYAKRQUZEWFR-GPUVRGFBSA-N 1 0 366.549 4.546 50 0 FJAARO Cc1ccc(N[C@@H](C)c2cn3ccccc3n2)cc1NC(=O)C(C)(C)C ZINC000225411226 571033574 /nfs/dbraw/zinc/03/35/74/571033574.db2.gz GDIGCDTXXQQDBA-HNNXBMFYSA-N 1 0 350.466 4.800 50 0 FJAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000028925063 571035598 /nfs/dbraw/zinc/03/55/98/571035598.db2.gz YBMDYOSTJVESLP-CQSZACIVSA-N 1 0 352.409 4.895 50 0 FJAARO CC(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cc2ccccc2o1)c1cccs1 ZINC000029203199 571037364 /nfs/dbraw/zinc/03/73/64/571037364.db2.gz IBDLUBVPACLUBG-VBKZILBWSA-N 1 0 356.491 4.658 50 0 FJAARO Cc1cc2oc(=O)cc(C[NH2+][C@@H]3CCCc4ccccc43)c2cc1Cl ZINC000040460163 571039618 /nfs/dbraw/zinc/03/96/18/571039618.db2.gz CPABZUTWTOTHEZ-LJQANCHMSA-N 1 0 353.849 4.922 50 0 FJAARO Cc1ccc(Cl)c(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c1Cl ZINC000029482948 571040524 /nfs/dbraw/zinc/04/05/24/571040524.db2.gz DICBQRJOAHGLJV-MRXNPFEDSA-N 1 0 363.288 4.860 50 0 FJAARO COc1ccc([C@H](C)[NH2+]Cc2cccc(OCc3ccccn3)c2)cc1F ZINC000030628197 571048380 /nfs/dbraw/zinc/04/83/80/571048380.db2.gz BQMAWUVHUQYWFC-INIZCTEOSA-N 1 0 366.436 4.659 50 0 FJAARO COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCc3ccccn3)c2)cc1F ZINC000030628193 571048458 /nfs/dbraw/zinc/04/84/58/571048458.db2.gz BQMAWUVHUQYWFC-MRXNPFEDSA-N 1 0 366.436 4.659 50 0 FJAARO Cc1ccc(C)c(CSC2=NC3(CC[NH+](C)CC3)Nc3ccccc32)c1 ZINC000067341725 571050656 /nfs/dbraw/zinc/05/06/56/571050656.db2.gz JOJBBXCZJSYYTM-UHFFFAOYSA-N 1 0 365.546 4.831 50 0 FJAARO CC(C)CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccoc1 ZINC000225633379 571051139 /nfs/dbraw/zinc/05/11/39/571051139.db2.gz RFIHHSWCFBYHHU-NYVOZVTQSA-N 1 0 355.526 4.652 50 0 FJAARO O=C(Nc1ccccc1C(F)(F)F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010330582 571054491 /nfs/dbraw/zinc/05/44/91/571054491.db2.gz HDUQTFOITQNWJV-UHFFFAOYSA-N 1 0 362.395 4.944 50 0 FJAARO Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1C[N@H+](C)Cc1ccccc1 ZINC000008717346 571057016 /nfs/dbraw/zinc/05/70/16/571057016.db2.gz GWYZTQXRTMPWNK-UHFFFAOYSA-N 1 0 360.379 4.900 50 0 FJAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[N@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008717205 571057130 /nfs/dbraw/zinc/05/71/30/571057130.db2.gz CNKIHMDLKSWYNH-UHFFFAOYSA-N 1 0 370.493 4.580 50 0 FJAARO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000033018787 571060997 /nfs/dbraw/zinc/06/09/97/571060997.db2.gz SABKUVWKSMFQHY-UHFFFAOYSA-N 1 0 365.473 4.831 50 0 FJAARO COc1ccc2oc(=O)cc(C[N@@H+](Cc3ccc(C)cc3)CC(C)C)c2c1 ZINC000033018719 571061106 /nfs/dbraw/zinc/06/11/06/571061106.db2.gz JCYZKXPVKBLDAH-UHFFFAOYSA-N 1 0 365.473 4.768 50 0 FJAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000040023982 571068599 /nfs/dbraw/zinc/06/85/99/571068599.db2.gz XYEAUWOMPIFJRQ-UHFFFAOYSA-N 1 0 373.500 4.661 50 0 FJAARO Cc1cccc(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000084218967 571079750 /nfs/dbraw/zinc/07/97/50/571079750.db2.gz FYMWKCXAMATYDS-ROUUACIJSA-N 1 0 365.521 4.582 50 0 FJAARO FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCC4)cc2)n1 ZINC000084403223 571084574 /nfs/dbraw/zinc/08/45/74/571084574.db2.gz RIZWVRYRZHGNJA-UHFFFAOYSA-N 1 0 371.406 4.670 50 0 FJAARO C[NH+](C)CCCNCc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040719877 571092473 /nfs/dbraw/zinc/09/24/73/571092473.db2.gz NPHKIDNWQIOFOH-UHFFFAOYSA-N 1 0 367.320 4.614 50 0 FJAARO COC(=O)CN1C(c2ccccc2)=[NH+]c2ccc(C)cc2[C@H]1c1ccccc1 ZINC000000845422 571092603 /nfs/dbraw/zinc/09/26/03/571092603.db2.gz ZMWKHABCFQCHRI-HSZRJFAPSA-N 1 0 370.452 4.651 50 0 FJAARO CC[NH+](CC)CCSc1nc2ccccc2n1CCc1ccccc1 ZINC000000848165 571093088 /nfs/dbraw/zinc/09/30/88/571093088.db2.gz ZUPCLUUWQBMSGE-UHFFFAOYSA-N 1 0 353.535 4.713 50 0 FJAARO COc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OC(C)C ZINC000040728819 571093639 /nfs/dbraw/zinc/09/36/39/571093639.db2.gz YOEHKIWQPAZMMI-UHFFFAOYSA-N 1 0 364.283 4.535 50 0 FJAARO CCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1cccc(C)c1 ZINC000040736595 571094720 /nfs/dbraw/zinc/09/47/20/571094720.db2.gz YOZDOHQKAAONQO-UHFFFAOYSA-N 1 0 362.473 4.658 50 0 FJAARO Clc1ccc(COc2cccc(C[NH2+]C[C@H]3CCCO3)c2)cc1Cl ZINC000040738825 571095158 /nfs/dbraw/zinc/09/51/58/571095158.db2.gz PPXZBHVUDWXGBK-QGZVFWFLSA-N 1 0 366.288 4.841 50 0 FJAARO Fc1ccc(COc2cccc(C[NH2+]Cc3cccnc3)c2)c(Cl)c1 ZINC000040738547 571095247 /nfs/dbraw/zinc/09/52/47/571095247.db2.gz BVTWLVRKNCBGGR-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743323 571095990 /nfs/dbraw/zinc/09/59/90/571095990.db2.gz HWLAIZLNUCFVAL-AWEZNQCLSA-N 1 0 372.267 4.572 50 0 FJAARO C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040744099 571096065 /nfs/dbraw/zinc/09/60/65/571096065.db2.gz SWDBXDGDIVIMGT-NSHDSACASA-N 1 0 374.695 4.696 50 0 FJAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)cc1 ZINC000042995843 571099213 /nfs/dbraw/zinc/09/92/13/571099213.db2.gz ZYGDKXLRUGCIFO-SFHVURJKSA-N 1 0 365.452 4.604 50 0 FJAARO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(F)cc1 ZINC000044934141 571105335 /nfs/dbraw/zinc/10/53/35/571105335.db2.gz JJFXLXMOQRMJPS-HNNXBMFYSA-N 1 0 374.887 4.569 50 0 FJAARO Cc1ccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c(N2CCCC2)c1 ZINC000240407418 571108907 /nfs/dbraw/zinc/10/89/07/571108907.db2.gz FMBPVGCBUQDDPK-UHFFFAOYSA-N 1 0 364.533 4.515 50 0 FJAARO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)c1 ZINC000033040088 571114933 /nfs/dbraw/zinc/11/49/33/571114933.db2.gz DFSUTMWSMXJEAI-HZPDHXFCSA-N 1 0 360.457 4.720 50 0 FJAARO Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000041971456 571118147 /nfs/dbraw/zinc/11/81/47/571118147.db2.gz ZTBQPSXJBONGFX-UHFFFAOYSA-N 1 0 363.436 4.530 50 0 FJAARO Cc1ccsc1C[N@H+](Cc1cc2ccc(F)cc2[nH]c1=O)CC(C)C ZINC000055575989 571121250 /nfs/dbraw/zinc/12/12/50/571121250.db2.gz ISZNBGLBBAVOIJ-UHFFFAOYSA-N 1 0 358.482 4.695 50 0 FJAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(Cl)cc1Cl ZINC000010031468 571122360 /nfs/dbraw/zinc/12/23/60/571122360.db2.gz QDIBEIFLZLJAHK-HNNXBMFYSA-N 1 0 368.264 4.545 50 0 FJAARO Fc1ccc(Cn2nc(C[NH2+]C3CCCCC3)c(-c3ccccc3)n2)cc1 ZINC000247500376 571125425 /nfs/dbraw/zinc/12/54/25/571125425.db2.gz FFSIPVWOQADYNV-UHFFFAOYSA-N 1 0 364.468 4.555 50 0 FJAARO CCCC[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000248250385 571128599 /nfs/dbraw/zinc/12/85/99/571128599.db2.gz SBHAPOJFMWBXID-UHFFFAOYSA-N 1 0 354.885 4.537 50 0 FJAARO CC(C)(C)[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248269480 571128798 /nfs/dbraw/zinc/12/87/98/571128798.db2.gz YZLPITQRYZPTBL-UHFFFAOYSA-N 1 0 354.885 4.535 50 0 FJAARO Clc1cccc(Cn2cc(C[NH2+]C[C@@H]3CCCO3)c3ccccc32)c1 ZINC000253488442 571135815 /nfs/dbraw/zinc/13/58/15/571135815.db2.gz ASQQDXADFVIYCH-IBGZPJMESA-N 1 0 354.881 4.612 50 0 FJAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1-c1ccccc1 ZINC000021783205 571138288 /nfs/dbraw/zinc/13/82/88/571138288.db2.gz PEJASUNNXCIYRP-UHFFFAOYSA-N 1 0 371.484 4.533 50 0 FJAARO O[C@H](C[NH2+]Cc1ccccc1OCc1ccccc1Cl)c1ccccc1 ZINC000016477556 571141930 /nfs/dbraw/zinc/14/19/30/571141930.db2.gz MCUIDBVFNHZYAR-OAQYLSRUSA-N 1 0 367.876 4.742 50 0 FJAARO Cc1nc[nH]c1C[N@@H+]1CC[C@H](c2ccnc(-c3c[nH]c4c3cccc4C)c2)C1 ZINC000065373053 571142115 /nfs/dbraw/zinc/14/21/15/571142115.db2.gz QYTSPDYUBPSEHX-SFHVURJKSA-N 1 0 371.488 4.559 50 0 FJAARO Cc1ccccc1-c1cc([C@H]2CC[N@@H+](Cc3cnn(C)c3C3CC3)C2)ccn1 ZINC000065397869 571142804 /nfs/dbraw/zinc/14/28/04/571142804.db2.gz UFSRDJONNRTQAA-FQEVSTJZSA-N 1 0 372.516 4.657 50 0 FJAARO CCn1nc(C)c([C@H](C)[NH2+]Cc2cnc(-c3ccccc3C)s2)c1C ZINC000065499888 571144137 /nfs/dbraw/zinc/14/41/37/571144137.db2.gz AHKMGJCGWDJQFQ-AWEZNQCLSA-N 1 0 354.523 4.803 50 0 FJAARO c1sc2ccccc2c1-c1cc([C@H]2CC[N@@H+](Cc3cncnc3)C2)ccn1 ZINC000065533542 571144901 /nfs/dbraw/zinc/14/49/01/571144901.db2.gz WEYJNLLIISASLB-SFHVURJKSA-N 1 0 372.497 4.743 50 0 FJAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(Cc1ccncc1)C2 ZINC000067847672 571150401 /nfs/dbraw/zinc/15/04/01/571150401.db2.gz RKKKAMSZWUOXOA-UHFFFAOYSA-N 1 0 366.848 4.502 50 0 FJAARO Cc1cc(C)cc(NC(=S)NC[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000004683338 571159959 /nfs/dbraw/zinc/15/99/59/571159959.db2.gz GHMVBPVQMGRAOP-RBUKOAKNSA-N 1 0 367.562 4.673 50 0 FJAARO CC(C)Cn1cncc1C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000072139014 571171750 /nfs/dbraw/zinc/17/17/50/571171750.db2.gz YMMOVGSNNMBBSB-KRWDZBQOSA-N 1 0 361.480 4.662 50 0 FJAARO CCSc1ccccc1C(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043971826 571178148 /nfs/dbraw/zinc/17/81/48/571178148.db2.gz BQGMPQAMYOAXCE-UHFFFAOYSA-N 1 0 374.575 4.502 50 0 FJAARO CCCc1nc2cc(CCC(=O)Nc3ccc(OC)c(Cl)c3)ccc2[nH]1 ZINC000075465689 571186201 /nfs/dbraw/zinc/18/62/01/571186201.db2.gz YVLROANJASICKV-UHFFFAOYSA-N 1 0 371.868 4.749 50 0 FJAARO C[S@](=O)c1ccc(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)cc1 ZINC000091377280 571193042 /nfs/dbraw/zinc/19/30/42/571193042.db2.gz OPZPPYUQQSQXAT-WZONZLPQSA-N 1 0 368.329 4.972 50 0 FJAARO Cc1n[nH]cc1C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1 ZINC000075582606 571201329 /nfs/dbraw/zinc/20/13/29/571201329.db2.gz BWYDOPHWRAAZLF-UHFFFAOYSA-N 1 0 362.315 4.516 50 0 FJAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(Cl)nc2)cc1 ZINC000299794734 571201896 /nfs/dbraw/zinc/20/18/96/571201896.db2.gz NOAFNGVTMBHPBS-GOSISDBHSA-N 1 0 372.900 4.556 50 0 FJAARO COc1ccc(C[NH2+]CC[C@H](c2ccco2)c2ccccc2OC)cc1 ZINC000002106831 571203671 /nfs/dbraw/zinc/20/36/71/571203671.db2.gz UNWNWIIYCPDJPJ-FQEVSTJZSA-N 1 0 351.446 4.609 50 0 FJAARO CCCc1nc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000077299259 571206696 /nfs/dbraw/zinc/20/66/96/571206696.db2.gz AGCJMHYJQNPZME-IBGZPJMESA-N 1 0 371.550 4.525 50 0 FJAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc3[nH]ccc3c2)cc1 ZINC000077408032 571210989 /nfs/dbraw/zinc/21/09/89/571210989.db2.gz KJFVDYHKXDRTCX-QFIPXVFZSA-N 1 0 361.489 4.597 50 0 FJAARO C[C@@H](c1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cc1)[NH+]1CCCCC1 ZINC000426668959 571234771 /nfs/dbraw/zinc/23/47/71/571234771.db2.gz HJTCCWVRSXWQKW-SFHVURJKSA-N 1 0 365.521 4.855 50 0 FJAARO CC(=O)c1cccc(OCCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000006624665 571237413 /nfs/dbraw/zinc/23/74/13/571237413.db2.gz RKUSPIIJEPLHLY-JOCHJYFZSA-N 1 0 352.478 4.670 50 0 FJAARO COCCC[NH2+]CC[C@@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000006758246 571245401 /nfs/dbraw/zinc/24/54/01/571245401.db2.gz CSNJQYPQMKIACA-PKOBYXMFSA-N 1 0 367.961 4.720 50 0 FJAARO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1OC ZINC000036347691 571248766 /nfs/dbraw/zinc/24/87/66/571248766.db2.gz BEPFOWNUEYLBSZ-QHCPKHFHSA-N 1 0 362.473 4.501 50 0 FJAARO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)cc2)cc1O ZINC000036348730 571248946 /nfs/dbraw/zinc/24/89/46/571248946.db2.gz UPKMJYQGRIKSPR-HSZRJFAPSA-N 1 0 362.473 4.506 50 0 FJAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2)c(OC)c1 ZINC000036347919 571249071 /nfs/dbraw/zinc/24/90/71/571249071.db2.gz UXBJZGLGOORRKO-QHCPKHFHSA-N 1 0 362.473 4.501 50 0 FJAARO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000036403753 571253535 /nfs/dbraw/zinc/25/35/35/571253535.db2.gz RNQJFOKUSFRFHP-JPYJTQIMSA-N 1 0 373.500 4.856 50 0 FJAARO c1ccc(OCCn2c(CCC[NH+]3CCCCC3)nc3ccccc32)cc1 ZINC000007343636 571264593 /nfs/dbraw/zinc/26/45/93/571264593.db2.gz HSJWKMGESCAXNJ-UHFFFAOYSA-N 1 0 363.505 4.534 50 0 FJAARO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]2COc2ccccc2)s1 ZINC000170595219 571266339 /nfs/dbraw/zinc/26/63/39/571266339.db2.gz TXLNSVZZYFIOQY-CYBMUJFWSA-N 1 0 356.413 4.514 50 0 FJAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2ccc(Cl)cc2s1 ZINC000170613386 571268021 /nfs/dbraw/zinc/26/80/21/571268021.db2.gz NNJADAKPFVSVOC-HOCLYGCPSA-N 1 0 362.926 4.549 50 0 FJAARO C[C@H]1CCC[N@H+](CCCCOc2ccc(Br)cc2Cl)C1 ZINC000002824902 571275753 /nfs/dbraw/zinc/27/57/53/571275753.db2.gz KYUJTORQOPNBTE-ZDUSSCGKSA-N 1 0 360.723 4.993 50 0 FJAARO Clc1cccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222524 571280475 /nfs/dbraw/zinc/28/04/75/571280475.db2.gz XAEDATRFRALGNI-FQEVSTJZSA-N 1 0 351.881 4.752 50 0 FJAARO Cc1ccc(Cl)c(-c2ccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000584886119 571313849 /nfs/dbraw/zinc/31/38/49/571313849.db2.gz PNAOZAZVHVHLIB-IBGZPJMESA-N 1 0 368.908 4.626 50 0 FJAARO Cc1cc(-c2cccc(C(=O)N[C@H](C)C[NH+]3CCCC3)c2)c(Cl)cc1F ZINC000584896931 571315511 /nfs/dbraw/zinc/31/55/11/571315511.db2.gz UGBXUUKZYSIYMZ-OAHLLOKOSA-N 1 0 374.887 4.669 50 0 FJAARO CCCOc1ccc([C@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000002294686 571316205 /nfs/dbraw/zinc/31/62/05/571316205.db2.gz MAZZASHVOPNVPI-PKTZIBPZSA-N 1 0 353.506 4.779 50 0 FJAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2ccc(Cl)cc2s1 ZINC000079192543 571327256 /nfs/dbraw/zinc/32/72/56/571327256.db2.gz NNJADAKPFVSVOC-GOEBONIOSA-N 1 0 362.926 4.549 50 0 FJAARO Oc1cccc([C@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)c1 ZINC000020112554 571327991 /nfs/dbraw/zinc/32/79/91/571327991.db2.gz BRCOUGBOBWSOAF-HSZRJFAPSA-N 1 0 370.452 4.688 50 0 FJAARO Cc1ccc2c(c1)-c1c3ccccc3nc(N3CC[NH+](C)CC3)c1CS2 ZINC000020405354 571329284 /nfs/dbraw/zinc/32/92/84/571329284.db2.gz IIJUPUPOSCJQLR-UHFFFAOYSA-N 1 0 361.514 4.568 50 0 FJAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000095468628 571330555 /nfs/dbraw/zinc/33/05/55/571330555.db2.gz LPYRLUWIVBYJFA-KRWDZBQOSA-N 1 0 350.437 4.993 50 0 FJAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)CC)ccc21 ZINC000020594954 571331590 /nfs/dbraw/zinc/33/15/90/571331590.db2.gz LDKZMLWDOPAUHW-UHFFFAOYSA-N 1 0 356.514 4.561 50 0 FJAARO Cc1cc(C)cc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000020733530 571331629 /nfs/dbraw/zinc/33/16/29/571331629.db2.gz PQESEMZKLHXENR-WIYYLYMNSA-N 1 0 373.610 4.975 50 0 FJAARO CC(C)[C@@H]([NH2+][C@@H]1CCc2c1cc(Br)cc2F)c1ccccn1 ZINC000095968209 571333187 /nfs/dbraw/zinc/33/31/87/571333187.db2.gz WNPQMUMEKDHPHG-SJLPKXTDSA-N 1 0 363.274 4.957 50 0 FJAARO Fc1ccccc1N1CCN(c2c3ccccc3[nH+]c3c2CCCC3)CC1 ZINC000021364977 571334333 /nfs/dbraw/zinc/33/43/33/571334333.db2.gz VQVKVZBMKUPINR-UHFFFAOYSA-N 1 0 361.464 4.579 50 0 FJAARO CSC1=[NH+]C(C)(C)C[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000002501005 571337546 /nfs/dbraw/zinc/33/75/46/571337546.db2.gz IKQVAWAYEBGDCK-RXVVDRJESA-N 1 0 368.502 4.602 50 0 FJAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccco2)cc1Cl ZINC000003047157 571344024 /nfs/dbraw/zinc/34/40/24/571344024.db2.gz MNHZSCYJYKWEPV-CQSZACIVSA-N 1 0 365.930 4.563 50 0 FJAARO Cc1cccc(NC(=S)N2CCC([N@H+](C)C3CCCCC3)CC2)c1C ZINC000003058496 571344359 /nfs/dbraw/zinc/34/43/59/571344359.db2.gz WZXVMRRYAPHUQK-UHFFFAOYSA-N 1 0 359.583 4.729 50 0 FJAARO CCc1ccccc1NC(=S)N1CCC([N@H+](C)C2CCCCC2)CC1 ZINC000003058489 571344362 /nfs/dbraw/zinc/34/43/62/571344362.db2.gz DRYAKZPWBGWYMR-UHFFFAOYSA-N 1 0 359.583 4.675 50 0 FJAARO CC1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000003325072 571347419 /nfs/dbraw/zinc/34/74/19/571347419.db2.gz ZNLUFHCQFGLOLY-FQEVSTJZSA-N 1 0 361.570 4.872 50 0 FJAARO COc1cccc(NC(=O)[C@@H]([NH2+]CC2CCCCC2)c2ccccc2)c1 ZINC000003332937 571347645 /nfs/dbraw/zinc/34/76/45/571347645.db2.gz FWOGFHIPUNTMEB-NRFANRHFSA-N 1 0 352.478 4.545 50 0 FJAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000003347649 571347979 /nfs/dbraw/zinc/34/79/79/571347979.db2.gz WEAOZQXHRNVZDB-QFIPXVFZSA-N 1 0 360.457 4.512 50 0 FJAARO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)c1ccc2ccccc2c1 ZINC000003401593 571349106 /nfs/dbraw/zinc/34/91/06/571349106.db2.gz ZJGZUCOCPYGPMF-IIBYNOLFSA-N 1 0 369.892 4.722 50 0 FJAARO Cc1cc(C)cc(NC(=S)NC[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000003589067 571351401 /nfs/dbraw/zinc/35/14/01/571351401.db2.gz GHMVBPVQMGRAOP-RTBURBONSA-N 1 0 367.562 4.673 50 0 FJAARO CC[NH+](CC)CCCN(Cc1ccco1)C(=S)Nc1ccccc1C ZINC000003662237 571352085 /nfs/dbraw/zinc/35/20/85/571352085.db2.gz KUWGJCDMXMGVBT-UHFFFAOYSA-N 1 0 359.539 4.519 50 0 FJAARO CC[NH+](CC)Cc1cccc(NC(=O)c2cc3cc(C)ccc3nc2C)c1 ZINC000031531463 571352771 /nfs/dbraw/zinc/35/27/71/571352771.db2.gz WFDUIKZYQMCFNV-UHFFFAOYSA-N 1 0 361.489 4.946 50 0 FJAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(c1ccccc1)c1ccccc1 ZINC000004029363 571354247 /nfs/dbraw/zinc/35/42/47/571354247.db2.gz KNYWIRBCFLEUJU-FCHUYYIVSA-N 1 0 363.501 4.626 50 0 FJAARO C[C@H](NC(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccccc1 ZINC000008240144 571360058 /nfs/dbraw/zinc/36/00/58/571360058.db2.gz GXRHKVSLMXCSIW-IBGZPJMESA-N 1 0 372.512 4.929 50 0 FJAARO CO[C@@]1(c2ccccc2)C(c2ccccc2)C(C)=C(c2ccccc2)[N+]1=O ZINC000261492423 210006193 /nfs/dbraw/zinc/00/61/93/210006193.db2.gz XNZWBBBHAYYDGM-DEOSSOPVSA-N 1 0 355.437 4.973 50 0 FJAARO CC(C)[NH2+]CCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc21 ZINC000000708907 219315644 /nfs/dbraw/zinc/31/56/44/219315644.db2.gz AXCMGLTVOJMROH-UHFFFAOYSA-N 1 0 352.869 4.607 50 0 FJAARO OC(c1cccc(Cl)c1)(c1cccc(Cl)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000000717123 219316374 /nfs/dbraw/zinc/31/63/74/219316374.db2.gz LLAWTBLIBJUONA-LJQANCHMSA-N 1 0 362.300 4.571 50 0 FJAARO CC(=O)Nc1ccc(CC[NH2+][C@H](C)C2(c3ccccc3)CCCC2)cc1 ZINC000225565849 209821083 /nfs/dbraw/zinc/82/10/83/209821083.db2.gz IXLVKLRNRXETQA-GOSISDBHSA-N 1 0 350.506 4.678 50 0 FJAARO CC[NH+](CC)CCCN(Cc1ccco1)C(=S)Nc1ccc(C)c(C)c1 ZINC000003662446 219524792 /nfs/dbraw/zinc/52/47/92/219524792.db2.gz ZEJPTAUTAXOLMC-UHFFFAOYSA-N 1 0 373.566 4.827 50 0 FJAARO COc1ccccc1[C@]1(CC[NH2+]Cc2ccccc2)CCO[C@H](C(C)C)C1 ZINC000004043896 219536951 /nfs/dbraw/zinc/53/69/51/219536951.db2.gz MCHNBXKKQKBCSE-BJKOFHAPSA-N 1 0 367.533 4.948 50 0 FJAARO CCOCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248288816 222966014 /nfs/dbraw/zinc/96/60/14/222966014.db2.gz IMVOEQCOYLIOTO-UHFFFAOYSA-N 1 0 356.897 4.859 50 0 FJAARO Cc1cccc(C)c1NC(=S)N1CCC([N@@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000020733549 209632012 /nfs/dbraw/zinc/63/20/12/209632012.db2.gz RYBGAQLHHAIQKB-UZLBHIALSA-N 1 0 373.610 4.975 50 0 FJAARO Cc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCCC2)cc1 ZINC000004808604 219607634 /nfs/dbraw/zinc/60/76/34/219607634.db2.gz IUWFTBDQLZXCKW-UHFFFAOYSA-N 1 0 358.489 4.750 50 0 FJAARO CCOc1ccc([C@](O)(CC)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811648 219774772 /nfs/dbraw/zinc/77/47/72/219774772.db2.gz KFUOXOPBNFCSNE-DHIUTWEWSA-N 1 0 353.506 4.563 50 0 FJAARO Cc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccccc3s2)cc1C ZINC000004585328 209422413 /nfs/dbraw/zinc/42/24/13/209422413.db2.gz KHWRITBSFAXLAX-UHFFFAOYSA-N 1 0 367.518 4.512 50 0 FJAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccccc1F ZINC000008472299 219863171 /nfs/dbraw/zinc/86/31/71/219863171.db2.gz DDKBWSPBEXMWOP-UHFFFAOYSA-N 1 0 351.421 4.703 50 0 FJAARO CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)[NH+]1CCCCC1)CCCC2 ZINC000000950032 209384676 /nfs/dbraw/zinc/38/46/76/209384676.db2.gz SEIHYLKRJMDYJI-HXUWFJFHSA-N 1 0 369.534 4.556 50 0 FJAARO CC(CC[NH2+]Cc1ccc2c(c1)OCO2)(c1ccccc1)c1ccccc1 ZINC000002447672 209396321 /nfs/dbraw/zinc/39/63/21/209396321.db2.gz RVWAITJSFLLDJF-UHFFFAOYSA-N 1 0 359.469 4.901 50 0 FJAARO FC(F)(F)c1cnc(COc2ccc([C@H]3[NH2+]CCS3)cc2)c(Cl)c1 ZINC000263639654 223077824 /nfs/dbraw/zinc/07/78/24/223077824.db2.gz CCMXHWKZDXHGPK-HNNXBMFYSA-N 1 0 374.815 4.668 50 0 FJAARO Clc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCC2)cc1 ZINC000000758759 209375274 /nfs/dbraw/zinc/37/52/74/209375274.db2.gz YARYJVRFZCWIPG-UHFFFAOYSA-N 1 0 364.880 4.705 50 0 FJAARO Cc1ccccc1COc1ccccc1C[NH2+]CCCOc1ccccn1 ZINC000113396730 209335933 /nfs/dbraw/zinc/33/59/33/209335933.db2.gz GQHBLCDMIJVMJG-UHFFFAOYSA-N 1 0 362.473 4.528 50 0 FJAARO Cc1cccc(COc2ccccc2C[NH2+]CCCOc2ccccn2)c1 ZINC000113396699 209335551 /nfs/dbraw/zinc/33/55/51/209335551.db2.gz VIXYAJOXLLIFDN-UHFFFAOYSA-N 1 0 362.473 4.528 50 0 FJAARO C[C@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)c1cccnc1 ZINC000012533321 220003632 /nfs/dbraw/zinc/00/36/32/220003632.db2.gz QZDQWCPCCJBPIT-ZDUSSCGKSA-N 1 0 357.251 4.955 50 0 FJAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)C2(C)CCCCC2)C1 ZINC000012592552 220011005 /nfs/dbraw/zinc/01/10/05/220011005.db2.gz HKXGXFJKFNMZCF-NRFANRHFSA-N 1 0 370.581 4.678 50 0 FJAARO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000012592620 220011510 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C[NH+](C)[C@@H](CNC(=O)C1(Cc2ccccc2)CCCCC1)c1cccs1 ZINC000012948280 220046587 /nfs/dbraw/zinc/04/65/87/220046587.db2.gz CGXKGFJPWBDWNY-IBGZPJMESA-N 1 0 370.562 4.660 50 0 FJAARO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000012992685 220049627 /nfs/dbraw/zinc/04/96/27/220049627.db2.gz YETOIUREXXRDSP-IAGOWNOFSA-N 1 0 364.464 4.677 50 0 FJAARO O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCCCC1 ZINC000096308887 209149828 /nfs/dbraw/zinc/14/98/28/209149828.db2.gz GVGKJNZXCGGJJL-UXHICEINSA-N 1 0 354.519 4.639 50 0 FJAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000013020121 220055073 /nfs/dbraw/zinc/05/50/73/220055073.db2.gz CWJWVXOHUQSBAT-IBGZPJMESA-N 1 0 374.484 4.579 50 0 FJAARO FC(F)Oc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 ZINC000013686395 220086367 /nfs/dbraw/zinc/08/63/67/220086367.db2.gz ARZHHWJGVISKNJ-UHFFFAOYSA-N 1 0 355.408 4.760 50 0 FJAARO Cc1cc(-c2ccc(C[NH2+]CCCOC(C)C)o2)ccc1Br ZINC000013722052 220089143 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OCC1(Cc2ccccc2)CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000015061632 220142762 /nfs/dbraw/zinc/14/27/62/220142762.db2.gz RWCGGDGUAGOCAV-UHFFFAOYSA-N 1 0 351.515 4.719 50 0 FJAARO Cc1ccsc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000015071123 220146078 /nfs/dbraw/zinc/14/60/78/220146078.db2.gz JQCVYRKEIPTXGW-INIZCTEOSA-N 1 0 355.482 4.965 50 0 FJAARO Cc1ccc(N[C@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)cc1C ZINC000015074358 220146096 /nfs/dbraw/zinc/14/60/96/220146096.db2.gz CXINDQBHBZLVEM-IBGZPJMESA-N 1 0 366.534 4.627 50 0 FJAARO O=C(NC[C@H]1CCC[N@@H+](C2CCCCC2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000015077018 220147493 /nfs/dbraw/zinc/14/74/93/220147493.db2.gz XXNGTJSEYIWZRC-QGZVFWFLSA-N 1 0 374.956 4.533 50 0 FJAARO CCOc1ccc(C[N@H+](CC)Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1 ZINC000015862352 220170379 /nfs/dbraw/zinc/17/03/79/220170379.db2.gz AIZCBYBGKVELOU-UHFFFAOYSA-N 1 0 364.489 4.566 50 0 FJAARO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000016047209 220176034 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CSc1ccc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1 ZINC000019361472 220253956 /nfs/dbraw/zinc/25/39/56/220253956.db2.gz LMAWUIGHYCDTFN-UHFFFAOYSA-N 1 0 362.542 4.880 50 0 FJAARO CSc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299760779 206636408 /nfs/dbraw/zinc/63/64/08/206636408.db2.gz JYOQAJYWWITGAD-FQEVSTJZSA-N 1 0 368.546 4.756 50 0 FJAARO O=c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)c2cc3c(cc2o1)CCC3 ZINC000005576595 206800870 /nfs/dbraw/zinc/80/08/70/206800870.db2.gz KGCZFOWWZSZZOO-UHFFFAOYSA-N 1 0 373.496 4.736 50 0 FJAARO C[NH+](C)CC[C@@]1(c2ccc(Cl)cc2)Cc2cc(Cl)ccc2C(=O)O1 ZINC000004489110 207022783 /nfs/dbraw/zinc/02/27/83/207022783.db2.gz YZUWAALSXOFHTI-IBGZPJMESA-N 1 0 364.272 4.554 50 0 FJAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccccc1Cl ZINC000004413514 207018593 /nfs/dbraw/zinc/01/85/93/207018593.db2.gz GEIQHDKDASYEDQ-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc4ccccc42)N3)C1 ZINC000004556144 207027753 /nfs/dbraw/zinc/02/77/53/207027753.db2.gz SKXFROFUGNUYEG-LJQANCHMSA-N 1 0 363.486 4.708 50 0 FJAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(Cl)cc1 ZINC000004679241 207037182 /nfs/dbraw/zinc/03/71/82/207037182.db2.gz YGBBRZRTUHDXDZ-UHFFFAOYSA-N 1 0 359.832 4.601 50 0 FJAARO Cc1ccc(-c2c[nH+]c(NCc3cccc(Br)c3)n2C)cc1 ZINC000004678433 207037308 /nfs/dbraw/zinc/03/73/08/207037308.db2.gz RMIXNNJFOZHAOU-UHFFFAOYSA-N 1 0 356.267 4.770 50 0 FJAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004834332 207052707 /nfs/dbraw/zinc/05/27/07/207052707.db2.gz ROJYUGWKHIRYCK-HXUWFJFHSA-N 1 0 366.505 4.559 50 0 FJAARO CC1CC[NH+](CCCCOc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000004845368 207054593 /nfs/dbraw/zinc/05/45/93/207054593.db2.gz DZRHEMKECHPPNK-UHFFFAOYSA-N 1 0 351.490 4.809 50 0 FJAARO COc1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)cc1Cl ZINC000004942948 207065638 /nfs/dbraw/zinc/06/56/38/207065638.db2.gz HFQFTRYXVCWILK-UHFFFAOYSA-N 1 0 371.820 4.627 50 0 FJAARO Clc1ccc(-c2ccc(C[NH2+]CCCSc3ncccn3)o2)cc1 ZINC000004984195 207069612 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CCOc1ccc(C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000006652187 207151929 /nfs/dbraw/zinc/15/19/29/207151929.db2.gz XYLWBJBJUUQKEL-UHFFFAOYSA-N 1 0 374.484 4.970 50 0 FJAARO C[C@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006859427 207172761 /nfs/dbraw/zinc/17/27/61/207172761.db2.gz YDVGBLILESFJHW-SJCJKPOMSA-N 1 0 363.288 4.988 50 0 FJAARO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000007378061 207193774 /nfs/dbraw/zinc/19/37/74/207193774.db2.gz YVQBIZCBGWTVKB-NRFANRHFSA-N 1 0 352.478 4.641 50 0 FJAARO CCC[NH+]1CCC(Nc2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000008271930 207225785 /nfs/dbraw/zinc/22/57/85/207225785.db2.gz RCQAORBLCSOSJD-UHFFFAOYSA-N 1 0 352.507 4.645 50 0 FJAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000008472036 207233265 /nfs/dbraw/zinc/23/32/65/207233265.db2.gz CCCXKKPTICLBBR-UHFFFAOYSA-N 1 0 351.421 4.703 50 0 FJAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000008550143 207236396 /nfs/dbraw/zinc/23/63/96/207236396.db2.gz FYLMHSKHYOOJJI-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062792 207257127 /nfs/dbraw/zinc/25/71/27/207257127.db2.gz CMZKQXVQZMRPNX-UHFFFAOYSA-N 1 0 362.395 4.556 50 0 FJAARO COc1ccc(Cl)cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010363569 207299747 /nfs/dbraw/zinc/29/97/47/207299747.db2.gz JGIXOUKEYQRBIP-UHFFFAOYSA-N 1 0 358.869 4.587 50 0 FJAARO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000010139729 207295771 /nfs/dbraw/zinc/29/57/71/207295771.db2.gz NGQWGWVXQLTNMI-UHFFFAOYSA-N 1 0 361.489 4.603 50 0 FJAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000011785122 207321706 /nfs/dbraw/zinc/32/17/06/207321706.db2.gz WGKYGAJTYBUSRQ-QFIPXVFZSA-N 1 0 359.517 4.984 50 0 FJAARO COc1ccc2cc(-c3n[nH]cc3C[NH2+]Cc3ccc(C)s3)ccc2c1 ZINC000011936638 207330669 /nfs/dbraw/zinc/33/06/69/207330669.db2.gz UVTLOZACMOXBRH-UHFFFAOYSA-N 1 0 363.486 4.898 50 0 FJAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000012467675 207380931 /nfs/dbraw/zinc/38/09/31/207380931.db2.gz WDSCCIPHNPNLQA-MRXNPFEDSA-N 1 0 364.514 4.985 50 0 FJAARO COc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCc2ccccc2-3)cc1 ZINC000012524179 207385790 /nfs/dbraw/zinc/38/57/90/207385790.db2.gz DEMFRVLLVDEJFZ-UHFFFAOYSA-N 1 0 353.445 4.528 50 0 FJAARO Cc1ccc(C[NH+]2CCC(CCC(=O)Nc3cccc(C)c3)CC2)s1 ZINC000012764062 207416767 /nfs/dbraw/zinc/41/67/67/207416767.db2.gz XPEFVANYEBVTGA-UHFFFAOYSA-N 1 0 356.535 4.996 50 0 FJAARO OCCCCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000013727069 207480282 /nfs/dbraw/zinc/48/02/82/207480282.db2.gz NMXFZXLCIWYFMM-UHFFFAOYSA-N 1 0 367.464 4.810 50 0 FJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)cc3C)CC2)c1 ZINC000021174928 207766963 /nfs/dbraw/zinc/76/69/63/207766963.db2.gz MQJHTTLUCAYRCS-UHFFFAOYSA-N 1 0 365.521 4.646 50 0 FJAARO COc1ccc2oc(=O)cc(C[N@H+](C)Cc3ccc(C(C)C)cc3)c2c1 ZINC000033018740 208066532 /nfs/dbraw/zinc/06/65/32/208066532.db2.gz FDEAMAKWHCNLMB-UHFFFAOYSA-N 1 0 351.446 4.557 50 0 FJAARO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000033018704 208067401 /nfs/dbraw/zinc/06/74/01/208067401.db2.gz RVLAWPQALDBVJG-UHFFFAOYSA-N 1 0 371.864 4.867 50 0 FJAARO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)c1 ZINC000033040089 208068655 /nfs/dbraw/zinc/06/86/55/208068655.db2.gz DFSUTMWSMXJEAI-CVEARBPZSA-N 1 0 360.457 4.720 50 0 FJAARO CCc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034683078 208104341 /nfs/dbraw/zinc/10/43/41/208104341.db2.gz KHHOYLAJWBJEBZ-UHFFFAOYSA-N 1 0 370.562 4.964 50 0 FJAARO Cc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccoc3)CC2)cc1 ZINC000034683497 208105716 /nfs/dbraw/zinc/10/57/16/208105716.db2.gz NDJUKUFVSLEHPE-UHFFFAOYSA-N 1 0 374.484 4.899 50 0 FJAARO CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000034682570 208105926 /nfs/dbraw/zinc/10/59/26/208105926.db2.gz YRCPZJOHYBVTIU-UHFFFAOYSA-N 1 0 368.496 4.967 50 0 FJAARO O=C(NC1CC1)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739898 208109216 /nfs/dbraw/zinc/10/92/16/208109216.db2.gz MCSJNHLWWGWDSR-RXVVDRJESA-N 1 0 368.908 4.572 50 0 FJAARO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102646 208145155 /nfs/dbraw/zinc/14/51/55/208145155.db2.gz CPPYRWYTDQXEGJ-JOCHJYFZSA-N 1 0 367.439 4.571 50 0 FJAARO Cc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036104676 208147251 /nfs/dbraw/zinc/14/72/51/208147251.db2.gz JGYDSUPVEOECOA-XMMPIXPASA-N 1 0 363.476 4.740 50 0 FJAARO Cc1ccccc1-c1csc2[nH]c(C[N@@H+](C)C3CCCCC3)nc(=O)c12 ZINC000036203870 208148944 /nfs/dbraw/zinc/14/89/44/208148944.db2.gz ONCXSYZAMWRVJF-UHFFFAOYSA-N 1 0 367.518 4.725 50 0 FJAARO COc1cc(OC)cc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)c1 ZINC000036347428 208154093 /nfs/dbraw/zinc/15/40/93/208154093.db2.gz XHTBCMJGFPRNSC-HSZRJFAPSA-N 1 0 362.473 4.501 50 0 FJAARO C[NH+]1CCC(SCc2c3ccccc3oc2C(=O)c2ccccc2)CC1 ZINC000039178848 208208850 /nfs/dbraw/zinc/20/88/50/208208850.db2.gz IIYJCCNDZGHLFA-UHFFFAOYSA-N 1 0 365.498 4.991 50 0 FJAARO Fc1ccc(-c2nnc(C3CC[NH+](Cc4cccc(Cl)c4)CC3)o2)cc1 ZINC000070635541 208175479 /nfs/dbraw/zinc/17/54/79/208175479.db2.gz RDXCCRWHTFMROD-UHFFFAOYSA-N 1 0 371.843 4.909 50 0 FJAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc2ccccc21 ZINC000040152250 208238838 /nfs/dbraw/zinc/23/88/38/208238838.db2.gz CQSALNXRUBXMGF-UHFFFAOYSA-N 1 0 365.452 4.575 50 0 FJAARO C[NH+](C)CCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040719547 208264394 /nfs/dbraw/zinc/26/43/94/208264394.db2.gz AIGIVKIVWFMICC-UHFFFAOYSA-N 1 0 367.320 4.614 50 0 FJAARO Fc1ccc(COc2ccccc2C[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000040731971 208265697 /nfs/dbraw/zinc/26/56/97/208265697.db2.gz BOFWUDJOWAXVBL-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO CCCCCC[NH2+]Cc1ccccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040732795 208266599 /nfs/dbraw/zinc/26/65/99/208266599.db2.gz ZYGBVQDICBSGFU-UHFFFAOYSA-N 1 0 354.494 4.682 50 0 FJAARO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040743594 208269179 /nfs/dbraw/zinc/26/91/79/208269179.db2.gz HWFCADHRJRRMHM-HNNXBMFYSA-N 1 0 360.885 4.554 50 0 FJAARO Brc1cc(Cc2ccccc2)ccc1OCCC1CC[NH2+]CC1 ZINC000042770220 208294977 /nfs/dbraw/zinc/29/49/77/208294977.db2.gz ZPCLDYGYBPDRLP-UHFFFAOYSA-N 1 0 374.322 4.808 50 0 FJAARO Brc1cc(-c2ccccc2)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042770523 208296057 /nfs/dbraw/zinc/29/60/57/208296057.db2.gz QEZANUJYXLGNIE-HNNXBMFYSA-N 1 0 360.295 4.885 50 0 FJAARO Brc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042770678 208296381 /nfs/dbraw/zinc/29/63/81/208296381.db2.gz NGFAJPROYIRCDE-HNNXBMFYSA-N 1 0 360.295 4.885 50 0 FJAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C ZINC000044856371 208319961 /nfs/dbraw/zinc/31/99/61/208319961.db2.gz FSBNCYDWJQANMX-GOSISDBHSA-N 1 0 368.496 4.532 50 0 FJAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1C ZINC000044856369 208320343 /nfs/dbraw/zinc/32/03/43/208320343.db2.gz WPHKZJQKHTZEGG-GOSISDBHSA-N 1 0 368.496 4.532 50 0 FJAARO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000044938600 208322966 /nfs/dbraw/zinc/32/29/66/208322966.db2.gz HBDDZDBKMZXDOQ-UHFFFAOYSA-N 1 0 368.546 4.958 50 0 FJAARO COc1cccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000019762041 220294700 /nfs/dbraw/zinc/29/47/00/220294700.db2.gz WFZDQZHEMCUHBQ-UHFFFAOYSA-N 1 0 372.468 4.506 50 0 biogenic,in-vitro FJAARO CCOc1cc2c(cc1OCC)[C@@H](c1cc3ccccc3s1)[NH2+]CC2 ZINC000019848136 220301093 /nfs/dbraw/zinc/30/10/93/220301093.db2.gz ZESUAQAWHBOJRE-NRFANRHFSA-N 1 0 353.487 4.934 50 0 FJAARO Fc1cccc(CN2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 ZINC000019831760 220301970 /nfs/dbraw/zinc/30/19/70/220301970.db2.gz DMIOTDCQXWUBFN-UHFFFAOYSA-N 1 0 352.497 4.670 50 0 FJAARO COc1ccccc1CN1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019831568 220302140 /nfs/dbraw/zinc/30/21/40/220302140.db2.gz PHVLTBORIWSJKL-UHFFFAOYSA-N 1 0 364.533 4.539 50 0 FJAARO COc1ccc([C@](O)(CC(C)C)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000021169931 220354395 /nfs/dbraw/zinc/35/43/95/220354395.db2.gz DIYLIMPGTSFMFT-BJKOFHAPSA-N 1 0 367.533 4.809 50 0 FJAARO Cc1ccc(C)c(NC(=O)N2CCC(C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000021718139 220364369 /nfs/dbraw/zinc/36/43/69/220364369.db2.gz ZQQUTVRSOCIZIK-HDICACEKSA-N 1 0 357.542 4.525 50 0 FJAARO Cc1[nH]c2ccc(C)cc2c1[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000021793226 220367695 /nfs/dbraw/zinc/36/76/95/220367695.db2.gz NWBCGGHNRCPGFJ-QHCPKHFHSA-N 1 0 362.517 4.773 50 0 FJAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)o1 ZINC000022077582 220376561 /nfs/dbraw/zinc/37/65/61/220376561.db2.gz PYEFDJYYEKYHKC-SFHVURJKSA-N 1 0 354.538 4.898 50 0 FJAARO C[NH+](C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1cccs1 ZINC000022687801 220395672 /nfs/dbraw/zinc/39/56/72/220395672.db2.gz WLIOYQNSHOJQQL-LBPRGKRZSA-N 1 0 364.923 4.649 50 0 FJAARO Clc1ccc(C2(c3ccc(Br)cc3)CC[NH2+]CC2)cc1 ZINC000089212551 208965317 /nfs/dbraw/zinc/96/53/17/208965317.db2.gz HMEHLWUVHGJFIM-UHFFFAOYSA-N 1 0 350.687 4.772 50 0 FJAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@H](C)c2ccccc2)c2c1cccc2Cl ZINC000028296762 220572157 /nfs/dbraw/zinc/57/21/57/220572157.db2.gz NOZOXHKYFNAUCM-CRAIPNDOSA-N 1 0 356.897 4.623 50 0 FJAARO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2coc(-c3cccs3)n2)c1 ZINC000048290923 221005901 /nfs/dbraw/zinc/00/59/01/221005901.db2.gz BILMVKJJVDYTNW-KRWDZBQOSA-N 1 0 354.475 4.619 50 0 FJAARO COc1ccc(-c2csc(-c3ccc(OCC[NH+](C)C)cc3)n2)cc1F ZINC000048314830 221007979 /nfs/dbraw/zinc/00/79/79/221007979.db2.gz YDFJKIIJEBKDSW-UHFFFAOYSA-N 1 0 372.465 4.565 50 0 FJAARO Cc1cc(C)c(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c(C)c1 ZINC000058163350 221101244 /nfs/dbraw/zinc/10/12/44/221101244.db2.gz LDDODGMMTTVKBF-UHFFFAOYSA-N 1 0 358.485 4.930 50 0 FJAARO C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)C1 ZINC000057427726 221089006 /nfs/dbraw/zinc/08/90/06/221089006.db2.gz FMWCJPWJSCACTC-QGZVFWFLSA-N 1 0 363.461 4.548 50 0 FJAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2cccs2)c2ccccc2)cc1F ZINC000057508777 221090999 /nfs/dbraw/zinc/09/09/99/221090999.db2.gz ZKHQUIFVUKEQPE-FOIQADDNSA-N 1 0 368.477 4.902 50 0 FJAARO Cc1ccc(NC(=S)N2CCCN(Cc3cccc(Cl)c3)C2)c(C)c1 ZINC000058096581 221097850 /nfs/dbraw/zinc/09/78/50/221097850.db2.gz KGQNRTLZSQUZEW-UHFFFAOYSA-N 1 0 373.953 4.819 50 0 FJAARO COc1ccc([C@H](C)NC(=O)c2cc3c(s2)C[N@@H+](C2CCCC2)C3)cc1 ZINC000065238996 221184756 /nfs/dbraw/zinc/18/47/56/221184756.db2.gz ZXPRLMZGNXOHMF-AWEZNQCLSA-N 1 0 370.518 4.506 50 0 FJAARO Cc1ccccc1-c1cc([C@@H]2CC[N@@H+](Cc3cnn(C)c3C3CC3)C2)ccn1 ZINC000065397868 221212375 /nfs/dbraw/zinc/21/23/75/221212375.db2.gz UFSRDJONNRTQAA-HXUWFJFHSA-N 1 0 372.516 4.657 50 0 FJAARO COc1cc(Oc2ccc(-c3ccccc3)nn2)ccc1C[NH+]1CCCC1 ZINC000067677120 221270780 /nfs/dbraw/zinc/27/07/80/221270780.db2.gz PPAIKRBJQOPZNR-UHFFFAOYSA-N 1 0 361.445 4.540 50 0 FJAARO C[C@@H](c1cccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)c1)[NH+](C)C ZINC000067818542 221290027 /nfs/dbraw/zinc/29/00/27/221290027.db2.gz NKCYESCIAKIYBE-KRWDZBQOSA-N 1 0 371.488 4.611 50 0 FJAARO C=Cc1cccc(C[NH+]2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)c1 ZINC000067955522 221309084 /nfs/dbraw/zinc/30/90/84/221309084.db2.gz XCUMIZSHZDKXEU-UHFFFAOYSA-N 1 0 358.485 4.670 50 0 FJAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071708132 221354889 /nfs/dbraw/zinc/35/48/89/221354889.db2.gz COMFPAJOQURGGX-MRXNPFEDSA-N 1 0 365.443 4.592 50 0 FJAARO CO[C@]1(c2ccccc2)C(c2ccccc2)C(C)=C(c2ccccc2)[N+]1=O ZINC000261492426 533381931 /nfs/dbraw/zinc/38/19/31/533381931.db2.gz XNZWBBBHAYYDGM-XMMPIXPASA-N 1 0 355.437 4.973 50 0 FJAARO FC(F)(F)c1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000000755530 132378244 /nfs/dbraw/zinc/37/82/44/132378244.db2.gz LUOREXIGGPFXCH-UHFFFAOYSA-N 1 0 354.803 4.681 50 0 FJAARO O[C@H](C[NH2+]C1CCCCC1)CN1c2ccccc2Sc2ccccc21 ZINC000003904546 132386002 /nfs/dbraw/zinc/38/60/02/132386002.db2.gz DPRQBLSBVNUDDL-QGZVFWFLSA-N 1 0 354.519 4.573 50 0 FJAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccnc4ccccc34)CC2)c1 ZINC000055142255 136126026 /nfs/dbraw/zinc/12/60/26/136126026.db2.gz PFRFZHSKRFXWJV-UHFFFAOYSA-N 1 0 371.406 4.576 50 0 FJAARO Oc1cccc(C[N@@H+]2CCCC23CCN(c2ccc4ncccc4c2)CC3)c1 ZINC000072433644 136147092 /nfs/dbraw/zinc/14/70/92/136147092.db2.gz VTKNDHYORZRPSV-UHFFFAOYSA-N 1 0 373.500 4.575 50 0 FJAARO c1csc(CC[NH2+]C2CCN(c3cccc(-c4cscn4)c3)CC2)c1 ZINC000023192913 136152378 /nfs/dbraw/zinc/15/23/78/136152378.db2.gz SFFSDFWRCKZAQY-UHFFFAOYSA-N 1 0 369.559 4.673 50 0 FJAARO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000096132149 222038812 /nfs/dbraw/zinc/03/88/12/222038812.db2.gz GCSYYZTYVVEROY-QGZVFWFLSA-N 1 0 371.456 4.566 50 0 FJAARO COc1cc(C[NH2+]C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)cc(OC)c1 ZINC000097164456 222166546 /nfs/dbraw/zinc/16/65/46/222166546.db2.gz OPFDBZIBJUSVFL-MYMYQCDVSA-N 1 0 369.427 4.695 50 0 FJAARO CCN(Cc1nc2ccccc2s1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106928375 222389531 /nfs/dbraw/zinc/38/95/31/222389531.db2.gz FGWKVWAHBHICAB-MJGOQNOKSA-N 1 0 365.546 4.954 50 0 FJAARO CCC[C@H]1C[C@H]1C(=O)N(CC)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000011818658 263368169 /nfs/dbraw/zinc/36/81/69/263368169.db2.gz IRSMNIUGZNMUCS-XZOQPEGZSA-N 1 0 370.581 4.534 50 0 FJAARO CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)ccc1O ZINC000011957168 263368744 /nfs/dbraw/zinc/36/87/44/263368744.db2.gz NSKXDJCEPYVQBU-QGZVFWFLSA-N 1 0 373.880 4.539 50 0 FJAARO CCOc1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)ccc1O ZINC000011957173 263369040 /nfs/dbraw/zinc/36/90/40/263369040.db2.gz NSKXDJCEPYVQBU-KRWDZBQOSA-N 1 0 373.880 4.539 50 0 FJAARO Cc1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000020454387 263380293 /nfs/dbraw/zinc/38/02/93/263380293.db2.gz ZCFPIWLMKNEWIN-HXUWFJFHSA-N 1 0 373.500 4.515 50 0 FJAARO CC(C)[N@@H+]1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3F)cc2)C[C@@H]1C ZINC000426484463 263601114 /nfs/dbraw/zinc/60/11/14/263601114.db2.gz MPXWOAZCMKXUFC-HNNXBMFYSA-N 1 0 374.887 4.701 50 0 FJAARO CCCOc1c(Cl)cc(C[NH2+]C[C@@H](O)c2ccccc2)cc1Cl ZINC000020926448 520297612 /nfs/dbraw/zinc/29/76/12/520297612.db2.gz AIJVZHBVNYWRLB-QGZVFWFLSA-N 1 0 354.277 4.605 50 0 FJAARO CCCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1Br ZINC000020926065 520368045 /nfs/dbraw/zinc/36/80/45/520368045.db2.gz HHOTYJBPMRQNJM-UHFFFAOYSA-N 1 0 364.283 4.536 50 0 FJAARO CCCCOc1ccccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000020868992 520912105 /nfs/dbraw/zinc/91/21/05/520912105.db2.gz DKPKFGPHXCEIGR-HXUWFJFHSA-N 1 0 372.553 4.736 50 0 FJAARO CCOc1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019842270 520976664 /nfs/dbraw/zinc/97/66/64/520976664.db2.gz FUAUZYKWAFZQPD-UHFFFAOYSA-N 1 0 360.501 4.556 50 0 FJAARO CN(C)CC[NH2+]CC[C@@H](Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000020588731 521788819 /nfs/dbraw/zinc/78/88/19/521788819.db2.gz PZBWXTCPMCQDAJ-KRWDZBQOSA-N 1 0 365.348 4.861 50 0 FJAARO Cc1cccc(NC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000020889825 524630777 /nfs/dbraw/zinc/63/07/77/524630777.db2.gz MKDHYRNJFVUTOE-UHFFFAOYSA-N 1 0 371.912 4.682 50 0 FJAARO C[C@H]([NH2+]CC[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)c1cccs1 ZINC000239338678 525363399 /nfs/dbraw/zinc/36/33/99/525363399.db2.gz KXPJSSIVKJYOLN-TYPHKJRUSA-N 1 0 371.590 5.853 50 0 FJAARO O[C@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 ZINC000019872524 526278827 /nfs/dbraw/zinc/27/88/27/526278827.db2.gz IPORDDGVXNJJCR-GOSISDBHSA-N 1 0 372.262 4.532 50 0 FJAARO c1csc(-c2noc(C[N@H+]3CCCC[C@H]3CCc3ccccc3)n2)c1 ZINC000012585321 526576064 /nfs/dbraw/zinc/57/60/64/526576064.db2.gz WVSUSAKFWHBFHR-KRWDZBQOSA-N 1 0 353.491 4.785 50 0 FJAARO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100355 527622834 /nfs/dbraw/zinc/62/28/34/527622834.db2.gz MEWGUUKOEMFQMR-UHFFFAOYSA-N 1 0 360.929 4.559 50 0 FJAARO C[N@H+](Cc1ccc([C@@H]2CCCO2)s1)Cc1ccccc1C[NH+]1CCCC1 ZINC000215381200 568067100 /nfs/dbraw/zinc/06/71/00/568067100.db2.gz XUDNVGUJXPIRGH-NRFANRHFSA-N 1 0 370.562 4.827 50 0 FJAARO CCCCOCCC[NH2+]Cc1cc(Br)ccc1OCCC ZINC000020929483 568068343 /nfs/dbraw/zinc/06/83/43/568068343.db2.gz BWJBIHMOKSXESW-UHFFFAOYSA-N 1 0 358.320 4.534 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)c(F)c1 ZINC000216169919 568109582 /nfs/dbraw/zinc/10/95/82/568109582.db2.gz XIOQELYSBBYAKV-HZPDHXFCSA-N 1 0 357.448 4.891 50 0 FJAARO COc1cc(OC)c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1Br ZINC000000757293 570455454 /nfs/dbraw/zinc/45/54/54/570455454.db2.gz HTDDXJUOHOGXSM-BBRMVZONSA-N 1 0 368.315 4.621 50 0 FJAARO C[NH+](C)Cc1ccc(C(=O)N(Cc2ccsc2)C2CCCCC2)cc1 ZINC000097528891 570489680 /nfs/dbraw/zinc/48/96/80/570489680.db2.gz AGIMVHXSYGZVQM-UHFFFAOYSA-N 1 0 356.535 4.785 50 0 FJAARO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+](C2CCCCCC2)CC1 ZINC000001199123 570491646 /nfs/dbraw/zinc/49/16/46/570491646.db2.gz IMMXGOSXDLNENM-UHFFFAOYSA-N 1 0 362.517 4.834 50 0 FJAARO Fc1ccc(-c2csc3ncnc(NCC[NH+]4CCCCCC4)c23)cc1 ZINC000001472987 570501046 /nfs/dbraw/zinc/50/10/46/570501046.db2.gz UUICGSYJBUYIEP-UHFFFAOYSA-N 1 0 370.497 4.785 50 0 FJAARO O=C(c1cccc(Br)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515502 570523773 /nfs/dbraw/zinc/52/37/73/570523773.db2.gz PPYBMWUCGNYYDW-UHFFFAOYSA-N 1 0 358.279 4.666 50 0 FJAARO CC(C)CC[NH+]1CCC(N(C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000034682528 570531681 /nfs/dbraw/zinc/53/16/81/570531681.db2.gz OZYZBNUZPZCTCD-UHFFFAOYSA-N 1 0 350.506 4.844 50 0 FJAARO COc1ccccc1[C@]1(CC[NH2+]Cc2ccco2)CCO[C@H](C(C)C)C1 ZINC000004043411 570573932 /nfs/dbraw/zinc/57/39/32/570573932.db2.gz RRBSQXXIPSHAEE-FCHUYYIVSA-N 1 0 357.494 4.541 50 0 FJAARO OCC[NH+]1CCC(=C2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000004128775 570577641 /nfs/dbraw/zinc/57/76/41/570577641.db2.gz MDIWTQRVFGMFSH-UHFFFAOYSA-N 1 0 371.933 4.836 50 0 FJAARO C[NH+](C)Cc1ccccc1[C@]1(O)c2ccccc2CSc2ccccc21 ZINC000004128074 570577726 /nfs/dbraw/zinc/57/77/26/570577726.db2.gz QRDQOMFEFIBBJS-QHCPKHFHSA-N 1 0 361.510 4.638 50 0 FJAARO C[C@](O)(C[NH2+]Cc1ccc(Cl)cc1)CSc1ccc(Cl)cc1 ZINC000004390029 570589363 /nfs/dbraw/zinc/58/93/63/570589363.db2.gz SLHLAAYFZWQFFJ-KRWDZBQOSA-N 1 0 356.318 4.626 50 0 FJAARO COc1cccc(C[NH2+]Cc2ccncc2)c1OCc1ccccc1Cl ZINC000004413567 570590304 /nfs/dbraw/zinc/59/03/04/570590304.db2.gz YTCZFRKEPVOIFA-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO CC(C)(CO)[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000004418497 570590752 /nfs/dbraw/zinc/59/07/52/570590752.db2.gz VJXKDSOOBCYQHN-UHFFFAOYSA-N 1 0 369.892 4.933 50 0 FJAARO C[N@H+](C[C@@H](O)c1ccccc1F)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000247958019 570593100 /nfs/dbraw/zinc/59/31/00/570593100.db2.gz DKCBNRHIQRQBQK-FGZHOGPDSA-N 1 0 353.412 4.720 50 0 FJAARO CCOc1cc(Br)c(C[NH2+][C@H](C)c2ccccc2)cc1OC ZINC000004856505 570610791 /nfs/dbraw/zinc/61/07/91/570610791.db2.gz GAKDMWVYOSORAG-CYBMUJFWSA-N 1 0 364.283 4.707 50 0 FJAARO Fc1ccccc1N1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000004980376 570615586 /nfs/dbraw/zinc/61/55/86/570615586.db2.gz MGGPFKOOBLGZBT-UHFFFAOYSA-N 1 0 358.460 4.719 50 0 FJAARO C/C(=C\c1ccccc1)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004980461 570615842 /nfs/dbraw/zinc/61/58/42/570615842.db2.gz UOOHIEVBGWOZBE-SAPNQHFASA-N 1 0 360.423 4.931 50 0 FJAARO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1F ZINC000005151090 570621697 /nfs/dbraw/zinc/62/16/97/570621697.db2.gz KDSGEFWXLQJWCW-PMOQBDJRSA-N 1 0 369.480 4.703 50 0 FJAARO Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c(C(C)C)cc1Cl ZINC000252438307 570621824 /nfs/dbraw/zinc/62/18/24/570621824.db2.gz WBUQDBZWBIJYKV-CNVJLJKISA-N 1 0 367.961 4.926 50 0 FJAARO CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000005268983 570644101 /nfs/dbraw/zinc/64/41/01/570644101.db2.gz HYVACMNSZNKGJN-KRWDZBQOSA-N 1 0 363.461 4.542 50 0 FJAARO CCCCn1c2ccc(C)cc2c2nnc(SCC[NH+](CC)CC)nc21 ZINC000005478154 570661522 /nfs/dbraw/zinc/66/15/22/570661522.db2.gz JPQQXFIVFHMIAP-UHFFFAOYSA-N 1 0 371.554 4.522 50 0 FJAARO Cc1c(-c2ccc(Cl)cc2)[n+](=O)c(-c2ccc(Cl)cc2)c(C)n1O ZINC000136551437 570664297 /nfs/dbraw/zinc/66/42/97/570664297.db2.gz IFOLFMNCLUJBPP-UHFFFAOYSA-N 1 0 362.236 4.898 50 0 FJAARO CC[C@@H](CO)[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000008326246 570680294 /nfs/dbraw/zinc/68/02/94/570680294.db2.gz SFXUESUZUAKQHJ-IBGZPJMESA-N 1 0 369.892 4.933 50 0 FJAARO Fc1ccccc1COc1ccc(Cl)cc1CNCc1cccnc1 ZINC000008435790 570682093 /nfs/dbraw/zinc/68/20/93/570682093.db2.gz SMDKIMBRBJJTMM-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO CCOc1ccc(C[NH2+]Cc2ccccc2Cl)cc1Br ZINC000010474108 570701379 /nfs/dbraw/zinc/70/13/79/570701379.db2.gz JGKXBWCAXGSSTK-UHFFFAOYSA-N 1 0 354.675 4.791 50 0 FJAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000011911524 570711275 /nfs/dbraw/zinc/71/12/75/570711275.db2.gz CGPNREFTMCXNJP-OAQYLSRUSA-N 1 0 373.500 4.700 50 0 FJAARO COc1ccc2[nH]c(C[NH2+][C@@H](C)c3cnn(-c4ccccc4)c3C)c(C)c2c1 ZINC000011948748 570712981 /nfs/dbraw/zinc/71/29/81/570712981.db2.gz PWGSXMSFTDHPJR-INIZCTEOSA-N 1 0 374.488 4.830 50 0 FJAARO COCCCC1CC[NH+](Cc2nc(-c3ccc(OC)c(C)c3)oc2C)CC1 ZINC000012224183 570729540 /nfs/dbraw/zinc/72/95/40/570729540.db2.gz UDMUZXMZSNHBSB-UHFFFAOYSA-N 1 0 372.509 4.606 50 0 FJAARO Cc1ccccc1-c1c[nH]nc1C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012244196 570731011 /nfs/dbraw/zinc/73/10/11/570731011.db2.gz FNMPJUWWSNXMFF-UHFFFAOYSA-N 1 0 357.501 4.732 50 0 FJAARO O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000012386830 570741236 /nfs/dbraw/zinc/74/12/36/570741236.db2.gz CQIIBMBQFPJHTO-LJQANCHMSA-N 1 0 365.473 4.553 50 0 FJAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](C3CCC3)CC2)c1 ZINC000012432413 570744618 /nfs/dbraw/zinc/74/46/18/570744618.db2.gz WOJNFWXGRSGCGO-UHFFFAOYSA-N 1 0 364.489 4.565 50 0 FJAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3cccc4cnccc43)c2C)cc1 ZINC000012480560 570748742 /nfs/dbraw/zinc/74/87/42/570748742.db2.gz VCVWDVOYQVEBOQ-INIZCTEOSA-N 1 0 372.472 4.588 50 0 FJAARO C[C@H]1CCCC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000017311197 570749195 /nfs/dbraw/zinc/74/91/95/570749195.db2.gz NCDNQCQLJMZYPG-PGRDOPGGSA-N 1 0 360.505 4.662 50 0 FJAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000012702482 570756927 /nfs/dbraw/zinc/75/69/27/570756927.db2.gz JYPRTEYNYRBMSX-SFHVURJKSA-N 1 0 373.928 4.829 50 0 FJAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C)cccc2C)cc1 ZINC000012987344 570770853 /nfs/dbraw/zinc/77/08/53/570770853.db2.gz NIYSMEOVXITJQH-NRFANRHFSA-N 1 0 366.505 4.868 50 0 FJAARO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)C(=O)Nc1cc(F)ccc1F ZINC000012997276 570771728 /nfs/dbraw/zinc/77/17/28/570771728.db2.gz QDNXSCPPJLPWLD-ZIAGYGMSSA-N 1 0 354.400 4.796 50 0 FJAARO COc1ccccc1CC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000013718713 570786342 /nfs/dbraw/zinc/78/63/42/570786342.db2.gz DUVCAZTXAHYCPE-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO Fc1cccc(NC(=S)N2CCCC[C@H]2CC[NH+]2CCCCCC2)c1 ZINC000013720244 570786409 /nfs/dbraw/zinc/78/64/09/570786409.db2.gz GAWSWIZBOYNIGV-IBGZPJMESA-N 1 0 363.546 4.643 50 0 FJAARO COc1cc(C[NH2+]C2CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008471637 570795489 /nfs/dbraw/zinc/79/54/89/570795489.db2.gz VDMZYXNNTHYETL-UHFFFAOYSA-N 1 0 352.261 4.833 50 0 FJAARO Cc1sc2[nH]c([C@H](C)[NH2+][C@H](C)c3cc(C)ccc3C)nc(=O)c2c1C ZINC000014233870 570814366 /nfs/dbraw/zinc/81/43/66/570814366.db2.gz KVZOMRKOXNTJCW-KGLIPLIRSA-N 1 0 355.507 4.630 50 0 FJAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000032833408 570819143 /nfs/dbraw/zinc/81/91/43/570819143.db2.gz FZHSLHSNNVHDAI-INIZCTEOSA-N 1 0 350.462 4.766 50 0 FJAARO Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000014977542 570828111 /nfs/dbraw/zinc/82/81/11/570828111.db2.gz JSQWADIYAHYYOK-NRFANRHFSA-N 1 0 367.443 4.935 50 0 FJAARO Cc1ccc2c(C)nc(N3CCC[C@@H]([NH2+]C4CCCCC4)CC3)nc2c1 ZINC000014991166 570828474 /nfs/dbraw/zinc/82/84/74/570828474.db2.gz WICQRXFTQSPERA-LJQANCHMSA-N 1 0 352.526 4.528 50 0 FJAARO COc1ccc2cc(-c3n[nH]cc3C[N@H+](C)Cc3ccsc3)ccc2c1 ZINC000015073083 570831568 /nfs/dbraw/zinc/83/15/68/570831568.db2.gz GBVYRULRZREDQQ-UHFFFAOYSA-N 1 0 363.486 4.932 50 0 FJAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000015078042 570832627 /nfs/dbraw/zinc/83/26/27/570832627.db2.gz ODSUTFDTVRYVDY-MRXNPFEDSA-N 1 0 352.865 4.916 50 0 FJAARO Cc1cccc(OCC[N@@H+](C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)c1 ZINC000015100387 570833522 /nfs/dbraw/zinc/83/35/22/570833522.db2.gz URPQDWKJXQLKOA-UHFFFAOYSA-N 1 0 371.864 4.574 50 0 FJAARO C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21)c1ccc2ccccc2c1 ZINC000105714110 570874211 /nfs/dbraw/zinc/87/42/11/570874211.db2.gz VDAIFANXYRXOQG-HXOBKFHXSA-N 1 0 358.485 4.636 50 0 FJAARO CN1CC[NH+]([C@@H]2Cc3ccccc3Sc3cccc(C4CC4)c32)CC1 ZINC000019802370 570903261 /nfs/dbraw/zinc/90/32/61/570903261.db2.gz QGLAZEQEBKZSQP-LJQANCHMSA-N 1 0 350.531 4.560 50 0 FJAARO CCCC(=O)Nc1cccc(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1C ZINC000108370549 570906190 /nfs/dbraw/zinc/90/61/90/570906190.db2.gz RWBAPVOYCAHFIM-QUCCMNQESA-N 1 0 365.521 4.981 50 0 FJAARO O=C(Nc1ccccc1F)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019913714 570906508 /nfs/dbraw/zinc/90/65/08/570906508.db2.gz LIXIJZFGODUAES-UHFFFAOYSA-N 1 0 360.432 4.636 50 0 FJAARO C[NH+](C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1cccs1 ZINC000022687805 570948092 /nfs/dbraw/zinc/94/80/92/570948092.db2.gz WLIOYQNSHOJQQL-GFCCVEGCSA-N 1 0 364.923 4.649 50 0 FJAARO Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000027581665 571014587 /nfs/dbraw/zinc/01/45/87/571014587.db2.gz PBBNFLVHTQHIIW-NRFANRHFSA-N 1 0 370.924 4.534 50 0 FJAARO Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000027583891 571015232 /nfs/dbraw/zinc/01/52/32/571015232.db2.gz JEFDCOXIQSFCML-HXUWFJFHSA-N 1 0 356.897 4.605 50 0 FJAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1ccccc1F ZINC000027582785 571015280 /nfs/dbraw/zinc/01/52/80/571015280.db2.gz UTVWPQLMMUSJDC-FQEVSTJZSA-N 1 0 374.887 4.826 50 0 FJAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000027582757 571015297 /nfs/dbraw/zinc/01/52/97/571015297.db2.gz UQLPIZBHSTYUDB-HXUWFJFHSA-N 1 0 374.887 4.826 50 0 FJAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1ccccc1Cl ZINC000027662583 571017207 /nfs/dbraw/zinc/01/72/07/571017207.db2.gz RUQUGCKFRZBUJA-KRWDZBQOSA-N 1 0 362.926 4.749 50 0 FJAARO Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCCC2)c1 ZINC000027749350 571020520 /nfs/dbraw/zinc/02/05/20/571020520.db2.gz LRKCBFPBUHVCBQ-OAQYLSRUSA-N 1 0 370.924 4.996 50 0 FJAARO Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)sc2c1 ZINC000028288111 571029225 /nfs/dbraw/zinc/02/92/25/571029225.db2.gz OTSWLDOTQNERAH-INIZCTEOSA-N 1 0 372.921 4.896 50 0 FJAARO Clc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1 ZINC000028428016 571032027 /nfs/dbraw/zinc/03/20/27/571032027.db2.gz DTRQWUCVWNDBGL-INIZCTEOSA-N 1 0 366.288 4.841 50 0 FJAARO C[NH2+]CCCNCc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000028427714 571032076 /nfs/dbraw/zinc/03/20/76/571032076.db2.gz KLOPICLUKIKIME-UHFFFAOYSA-N 1 0 367.320 4.580 50 0 FJAARO Clc1ccccc1Cn1cc(C[NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000028428031 571032082 /nfs/dbraw/zinc/03/20/82/571032082.db2.gz BXGBSOJSHQQDQO-SFHVURJKSA-N 1 0 354.881 4.612 50 0 FJAARO Clc1ccccc1Cn1cc(C[NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000028428040 571032113 /nfs/dbraw/zinc/03/21/13/571032113.db2.gz BXGBSOJSHQQDQO-GOSISDBHSA-N 1 0 354.881 4.612 50 0 FJAARO O[C@@H](c1ccc(Br)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000001241349 571043625 /nfs/dbraw/zinc/04/36/25/571043625.db2.gz QRMKWWYZRHOYBC-UXHICEINSA-N 1 0 374.322 4.752 50 0 FJAARO C[C@H](Nc1nc(C(F)F)nc2ccccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000225532875 571043659 /nfs/dbraw/zinc/04/36/59/571043659.db2.gz GWRUGJNTCLOKQC-GUYCJALGSA-N 1 0 356.420 4.671 50 0 FJAARO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)C2(c3ccccc3)CCCC2)cc1 ZINC000225565879 571045751 /nfs/dbraw/zinc/04/57/51/571045751.db2.gz IXLVKLRNRXETQA-SFHVURJKSA-N 1 0 350.506 4.678 50 0 FJAARO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000030628300 571048517 /nfs/dbraw/zinc/04/85/17/571048517.db2.gz LWILGYLIPWKHJS-SFHVURJKSA-N 1 0 362.473 4.828 50 0 FJAARO COc1ccc2[nH]c(-c3ccccc3)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008572518 571050660 /nfs/dbraw/zinc/05/06/60/571050660.db2.gz DZIMABNASFLRQN-UHFFFAOYSA-N 1 0 362.473 4.992 50 0 FJAARO CC[N@H+](Cc1ccccc1)Cc1c(C)[nH]c2c(OC)ccc(Cl)c2c1=O ZINC000008717810 571057568 /nfs/dbraw/zinc/05/75/68/571057568.db2.gz CHCRYLRFGJHVEO-UHFFFAOYSA-N 1 0 370.880 4.933 50 0 FJAARO CCCc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c(OC)c1 ZINC000008739200 571058643 /nfs/dbraw/zinc/05/86/43/571058643.db2.gz ALSNXLQLDUXAAR-HXUWFJFHSA-N 1 0 354.494 4.649 50 0 FJAARO COc1ccc2cc(C[NH2+]Cc3c(C)nn(-c4ccccc4)c3C)ccc2c1 ZINC000008775661 571061036 /nfs/dbraw/zinc/06/10/36/571061036.db2.gz LBBYVDMKLXGUFU-UHFFFAOYSA-N 1 0 371.484 4.941 50 0 FJAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000004688701 571062624 /nfs/dbraw/zinc/06/26/24/571062624.db2.gz PIWNHRLQWBDFSI-HZPDHXFCSA-N 1 0 357.885 4.545 50 0 FJAARO c1csc([C@H](CNc2ncnc3c4ccccc4oc32)[NH+]2CCCC2)c1 ZINC000068836728 571066695 /nfs/dbraw/zinc/06/66/95/571066695.db2.gz DBLUETNCWBUBGL-HNNXBMFYSA-N 1 0 364.474 4.687 50 0 FJAARO [NH2+]=C1N[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)S1 ZINC000001273000 571070314 /nfs/dbraw/zinc/07/03/14/571070314.db2.gz PHFAMCRUQQSHQC-FPOVZHCZSA-N 1 0 358.466 4.708 50 0 FJAARO Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(C)o1 ZINC000084081665 571070510 /nfs/dbraw/zinc/07/05/10/571070510.db2.gz WEIMQAIFMOBVHJ-ZDUSSCGKSA-N 1 0 363.383 4.952 50 0 FJAARO Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000040086188 571073685 /nfs/dbraw/zinc/07/36/85/571073685.db2.gz QZPPATDVCPDQJC-NRFANRHFSA-N 1 0 371.908 4.585 50 0 FJAARO COc1ccc(Cl)cc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038849419 571087539 /nfs/dbraw/zinc/08/75/39/571087539.db2.gz QEBKITMJMBIZEI-UHFFFAOYSA-N 1 0 372.896 4.977 50 0 FJAARO Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]Cc2cccc(C)n2)cc1 ZINC000039508862 571089136 /nfs/dbraw/zinc/08/91/36/571089136.db2.gz AHOUWNOPYNOKIC-OAQYLSRUSA-N 1 0 360.505 4.687 50 0 FJAARO Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3[NH2+]Cc2cccc(C)n2)cc1 ZINC000039508864 571089374 /nfs/dbraw/zinc/08/93/74/571089374.db2.gz AHOUWNOPYNOKIC-NRFANRHFSA-N 1 0 360.505 4.687 50 0 FJAARO CC(C)[C@H]1C[C@](CC[NH2+]Cc2ccccn2)(Cc2ccccc2)CCO1 ZINC000008993028 571090156 /nfs/dbraw/zinc/09/01/56/571090156.db2.gz BZGWPDMFUVTYRS-PKTZIBPZSA-N 1 0 352.522 4.625 50 0 FJAARO C[NH+](C)CCCNCc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040720681 571092582 /nfs/dbraw/zinc/09/25/82/571092582.db2.gz FNGBHNZLLYLDLA-UHFFFAOYSA-N 1 0 367.320 4.614 50 0 FJAARO CCCC[NH2+]Cc1cccc(OC)c1OCc1c(F)cccc1Cl ZINC000040722428 571093114 /nfs/dbraw/zinc/09/31/14/571093114.db2.gz ZSZIWNIXTJVKSC-UHFFFAOYSA-N 1 0 351.849 4.956 50 0 FJAARO CCCCCC[NH2+]Cc1cc(Br)c(OC(C)C)c(OC)c1 ZINC000040728873 571093533 /nfs/dbraw/zinc/09/35/33/571093533.db2.gz HEPFSTSOYUHHRY-UHFFFAOYSA-N 1 0 358.320 4.915 50 0 FJAARO COc1ccc(CC[NH2+]Cc2ccccc2OCc2cccc(C)c2)cc1 ZINC000040731438 571093886 /nfs/dbraw/zinc/09/38/86/571093886.db2.gz GQAMLMMOYMMFOV-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO CC[C@H](CO)[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736063 571094919 /nfs/dbraw/zinc/09/49/19/571094919.db2.gz XYDKMIFQNYJFNU-LJQANCHMSA-N 1 0 369.892 4.933 50 0 FJAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccncc2)c1 ZINC000040742941 571095566 /nfs/dbraw/zinc/09/55/66/571095566.db2.gz JACFVPBQSFGJOY-UHFFFAOYSA-N 1 0 352.865 4.912 50 0 FJAARO CCCCC[NH2+]Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040743590 571095950 /nfs/dbraw/zinc/09/59/50/571095950.db2.gz OWPHJMJRQTWGEP-UHFFFAOYSA-N 1 0 374.912 4.946 50 0 FJAARO C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040744100 571096025 /nfs/dbraw/zinc/09/60/25/571096025.db2.gz SWDBXDGDIVIMGT-LLVKDONJSA-N 1 0 374.695 4.696 50 0 FJAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040743631 571096179 /nfs/dbraw/zinc/09/61/79/571096179.db2.gz JLBDFIRDSMPOSP-UHFFFAOYSA-N 1 0 374.912 4.944 50 0 FJAARO Cc1c(Cl)cccc1-c1cccc(C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000426641502 571105256 /nfs/dbraw/zinc/10/52/56/571105256.db2.gz JRQYTXFQORWFGW-MRXNPFEDSA-N 1 0 356.897 4.516 50 0 FJAARO CC1CC[NH+]([C@H](CNC(=O)c2cc3ccccc3o2)c2cccs2)CC1 ZINC000033028229 571109937 /nfs/dbraw/zinc/10/99/37/571109937.db2.gz VGTYQRRLOORCDS-QGZVFWFLSA-N 1 0 368.502 4.697 50 0 FJAARO COc1ccccc1[C@H](CC[NH2+][C@@H]1CCO[C@H](C(C)C)C1)c1ccco1 ZINC000009531176 571112880 /nfs/dbraw/zinc/11/28/80/571112880.db2.gz ADZJVPMVUQQIJT-LZNRXBQRSA-N 1 0 357.494 4.603 50 0 FJAARO CC(=O)Nc1ccc(C[N@H+](Cc2ccc(C)s2)Cc2ccncc2)cc1 ZINC000055253873 571118852 /nfs/dbraw/zinc/11/88/52/571118852.db2.gz TZGKGZKMYQQDMB-UHFFFAOYSA-N 1 0 365.502 4.612 50 0 FJAARO CC(C)(C)C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1cccnc1 ZINC000055393285 571120404 /nfs/dbraw/zinc/12/04/04/571120404.db2.gz WSLQAUMBBVFVTK-IBGZPJMESA-N 1 0 352.457 4.878 50 0 FJAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1Cl ZINC000009992057 571122073 /nfs/dbraw/zinc/12/20/73/571122073.db2.gz SDWHFYCCDDAWNZ-UHFFFAOYSA-N 1 0 363.288 4.519 50 0 FJAARO Cc1cccc(N2CCc3c2[nH+]c2ccc(Br)cc2c3N)c1 ZINC000000885819 571123086 /nfs/dbraw/zinc/12/30/86/571123086.db2.gz BXKKSKWXIFDYRX-UHFFFAOYSA-N 1 0 354.251 4.582 50 0 FJAARO C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000010330477 571125240 /nfs/dbraw/zinc/12/52/40/571125240.db2.gz HMWXGIOWJCQBFG-HXUWFJFHSA-N 1 0 352.865 4.526 50 0 FJAARO Fc1cccc(Cl)c1Cn1cc(C[NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000247506359 571125494 /nfs/dbraw/zinc/12/54/94/571125494.db2.gz HBIYIGIMMDBVAR-INIZCTEOSA-N 1 0 372.871 4.751 50 0 FJAARO Fc1cccc(Cl)c1Cn1cc(C[NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000247506369 571125545 /nfs/dbraw/zinc/12/55/45/571125545.db2.gz HBIYIGIMMDBVAR-MRXNPFEDSA-N 1 0 372.871 4.751 50 0 FJAARO CSc1ccc(C[N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000058164889 571126665 /nfs/dbraw/zinc/12/66/65/571126665.db2.gz KGVLCXYELREGMQ-UHFFFAOYSA-N 1 0 353.487 4.764 50 0 FJAARO Cc1ccccc1Cn1cc(C[NH2+]C[C@H](O)c2ccccc2)c2ccccc21 ZINC000248168487 571128187 /nfs/dbraw/zinc/12/81/87/571128187.db2.gz UBPLBKSJXRSFSM-VWLOTQADSA-N 1 0 370.496 4.821 50 0 FJAARO CC[C@H](C)[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248249211 571128528 /nfs/dbraw/zinc/12/85/28/571128528.db2.gz RNHXEEUUOSDJOD-HNNXBMFYSA-N 1 0 354.885 4.535 50 0 FJAARO CC[C@@H](C)[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248255235 571128635 /nfs/dbraw/zinc/12/86/35/571128635.db2.gz UKOMQEPEHRBGRT-OAHLLOKOSA-N 1 0 354.885 4.535 50 0 FJAARO Cc1cc(C)c(NC(=O)CC[N@H+](Cc2cccc(O)c2)C2CC2)c(Cl)c1 ZINC000252495433 571133321 /nfs/dbraw/zinc/13/33/21/571133321.db2.gz OQFXTCDXYMIQIT-UHFFFAOYSA-N 1 0 372.896 4.656 50 0 FJAARO COc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)c1 ZINC000060040198 571135970 /nfs/dbraw/zinc/13/59/70/571135970.db2.gz JCDPIBADEZXMBJ-JOCHJYFZSA-N 1 0 360.457 4.624 50 0 FJAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccccc3OCC)c2c1 ZINC000000952828 571140354 /nfs/dbraw/zinc/14/03/54/571140354.db2.gz HTUAFIBMIMGPKB-UHFFFAOYSA-N 1 0 350.418 4.862 50 0 FJAARO OCc1ccc(C[N@@H+]2CC[C@H](c3ccnc(-c4cc5ccccc5o4)c3)C2)o1 ZINC000065374395 571142200 /nfs/dbraw/zinc/14/22/00/571142200.db2.gz VYJJYBNKAXWMSF-SFHVURJKSA-N 1 0 374.440 4.570 50 0 FJAARO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000065419733 571143466 /nfs/dbraw/zinc/14/34/66/571143466.db2.gz IAPNAFNFFUNLLR-QHCPKHFHSA-N 1 0 373.500 4.535 50 0 FJAARO c1coc(-c2cc(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)no2)c1 ZINC000012912247 571143979 /nfs/dbraw/zinc/14/39/79/571143979.db2.gz HQRGGSGPGVRJQI-AWEZNQCLSA-N 1 0 365.458 4.924 50 0 FJAARO Cc1noc(C)c1NC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000067726261 571148974 /nfs/dbraw/zinc/14/89/74/571148974.db2.gz KQXSFGFITNBSAS-ICSRJNTNSA-N 1 0 367.493 4.556 50 0 FJAARO Cc1ccc2ncccc2c1C[N@@H+]1CCc2onc(-c3ccccc3)c2C1 ZINC000067894391 571151608 /nfs/dbraw/zinc/15/16/08/571151608.db2.gz PLGFWSAYIYVHIY-UHFFFAOYSA-N 1 0 355.441 4.757 50 0 FJAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1CCC(C(C)(C)C)CC1 ZINC000004647180 571153406 /nfs/dbraw/zinc/15/34/06/571153406.db2.gz YZBWXUMBVMJAEN-WJTCQHJGSA-N 1 0 368.565 4.982 50 0 FJAARO C[N@H+](Cc1ccccc1NC(=O)N(CC(F)F)C1CC1)C1CCCCC1 ZINC000075109433 571155787 /nfs/dbraw/zinc/15/57/87/571155787.db2.gz NQMPYMLBOCWEEB-UHFFFAOYSA-N 1 0 365.468 4.713 50 0 FJAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1ccccc1F ZINC000004678312 571158618 /nfs/dbraw/zinc/15/86/18/571158618.db2.gz XDFUBSUMJUBCPL-UHFFFAOYSA-N 1 0 360.230 4.601 50 0 FJAARO Cc1nc(C[N@@H+]2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)co1 ZINC000071639690 571163254 /nfs/dbraw/zinc/16/32/54/571163254.db2.gz NWUHIZHXYFSYOR-INIZCTEOSA-N 1 0 352.400 4.847 50 0 FJAARO Cc1ccccc1NC(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575619384 571171817 /nfs/dbraw/zinc/17/18/17/571171817.db2.gz DKQCEUMVKLADEX-SFHVURJKSA-N 1 0 353.491 4.634 50 0 FJAARO Cc1ccsc1C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072162824 571176192 /nfs/dbraw/zinc/17/61/92/571176192.db2.gz UVCTZJVDDIIIFE-UHFFFAOYSA-N 1 0 355.425 4.559 50 0 FJAARO CCc1nc2cc(CCC(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000075465552 571186281 /nfs/dbraw/zinc/18/62/81/571186281.db2.gz GAHKBLDVQBUWTL-UHFFFAOYSA-N 1 0 361.367 4.715 50 0 FJAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-c2ccc(SC)cc2)c1 ZINC000299757100 571192461 /nfs/dbraw/zinc/19/24/61/571192461.db2.gz MQEIIOFFKNRMKH-HXUWFJFHSA-N 1 0 368.546 4.680 50 0 FJAARO COc1ccc(C[NH2+]CC[C@@H](c2ccco2)c2ccccc2)cc1OC ZINC000001795597 571193879 /nfs/dbraw/zinc/19/38/79/571193879.db2.gz KLMDJZOUXBMXPS-LJQANCHMSA-N 1 0 351.446 4.609 50 0 FJAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH+]2CCSCC2)cc1 ZINC000072453651 571197328 /nfs/dbraw/zinc/19/73/28/571197328.db2.gz YQUQAVXPJRJAOP-UHFFFAOYSA-N 1 0 364.514 4.768 50 0 FJAARO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(F)cc2)on1 ZINC000075448591 571203063 /nfs/dbraw/zinc/20/30/63/571203063.db2.gz DQNXBNQXKWYAIN-GOSISDBHSA-N 1 0 354.429 4.664 50 0 FJAARO COc1ccc(C[NH2+]CC[C@H](c2ccco2)c2ccc(C)cc2)cc1OC ZINC000002104054 571203776 /nfs/dbraw/zinc/20/37/76/571203776.db2.gz QWWGMGVMIIWGCP-FQEVSTJZSA-N 1 0 365.473 4.917 50 0 FJAARO COc1ccc(C[N@@H+](Cc2cccc(C)c2)C[C@H](O)c2ccccc2)cc1 ZINC000036095312 571205234 /nfs/dbraw/zinc/20/52/34/571205234.db2.gz MNSVVPZZEMTHDF-DEOSSOPVSA-N 1 0 361.485 4.739 50 0 FJAARO CC(C)(CO)[N@@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035840959 571206338 /nfs/dbraw/zinc/20/63/38/571206338.db2.gz LIMCTLBBKLKOLK-UHFFFAOYSA-N 1 0 372.528 4.829 50 0 FJAARO Cc1cc(=O)[nH]c(-c2ccc(-c3cccc([C@H](C)[NH+]4CCCC4)c3)cc2)n1 ZINC000534647289 571208235 /nfs/dbraw/zinc/20/82/35/571208235.db2.gz WHUNHARUZCPQMC-KRWDZBQOSA-N 1 0 359.473 4.569 50 0 FJAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)cc1 ZINC000077485593 571213183 /nfs/dbraw/zinc/21/31/83/571213183.db2.gz NEASZBCMAPYENE-QFIPXVFZSA-N 1 0 361.489 4.597 50 0 FJAARO C[C@@H]1C[C@@H](C)C[NH+](CCOCCOc2cccc(Oc3ccccc3)c2)C1 ZINC000004914604 571213680 /nfs/dbraw/zinc/21/36/80/571213680.db2.gz AKMNCHYPLKUWEV-WOJBJXKFSA-N 1 0 369.505 4.852 50 0 FJAARO CO[C@]12CC[N@H+](Cc3ccc4ccccc4c3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426361865 571215697 /nfs/dbraw/zinc/21/56/97/571215697.db2.gz APVBTIIPEDHXTR-TZRRMPRUSA-N 1 0 365.517 4.778 50 0 FJAARO COc1cccc(C[NH2+]CC(C)C)c1OCc1c(F)cccc1Cl ZINC000040722443 571236276 /nfs/dbraw/zinc/23/62/76/571236276.db2.gz MFMTYQBRWIFNSP-UHFFFAOYSA-N 1 0 351.849 4.812 50 0 FJAARO c1cncc([C@H]2CCCC[N@H+]2CCCCOc2ccc3c(c2)CCC3)c1 ZINC000006624603 571237653 /nfs/dbraw/zinc/23/76/53/571237653.db2.gz NCVHXFHVRZRTLC-HSZRJFAPSA-N 1 0 350.506 4.957 50 0 FJAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@@H](O)COc1ccccc1C ZINC000036100059 571241702 /nfs/dbraw/zinc/24/17/02/571241702.db2.gz XFMFVCLJYMOLSL-JOCHJYFZSA-N 1 0 355.522 4.591 50 0 FJAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COc2ccccc2C)s1 ZINC000036101664 571241834 /nfs/dbraw/zinc/24/18/34/571241834.db2.gz KBWKYIYRXYMCFG-IBGZPJMESA-N 1 0 361.551 4.653 50 0 FJAARO C[NH+](C)C[C@@H]1CCCC[C@H]1[C@@]1(O)c2ccsc2SCc2ccccc21 ZINC000006995950 571256618 /nfs/dbraw/zinc/25/66/18/571256618.db2.gz YKADOOIFTVIBPM-XPIZARPCSA-N 1 0 373.587 4.958 50 0 FJAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(cccc2Cl)s1 ZINC000170613362 571268040 /nfs/dbraw/zinc/26/80/40/571268040.db2.gz MEIZQZZEDORMJF-BBRMVZONSA-N 1 0 362.926 4.549 50 0 FJAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(c1ccccc1)c1ccccc1 ZINC000003622386 571270368 /nfs/dbraw/zinc/27/03/68/571270368.db2.gz DERGOIQEITWKQF-NRFANRHFSA-N 1 0 371.484 4.809 50 0 FJAARO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21)c1cc2ccccc2o1 ZINC000007583319 571277790 /nfs/dbraw/zinc/27/77/90/571277790.db2.gz IEZHWEMEHSASTR-OXJNMPFZSA-N 1 0 362.473 4.619 50 0 FJAARO CC(C)CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccoc1 ZINC000252549442 571283331 /nfs/dbraw/zinc/28/33/31/571283331.db2.gz RFIHHSWCFBYHHU-QIJUGHKUSA-N 1 0 355.526 4.652 50 0 FJAARO COCC[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000247840099 571290802 /nfs/dbraw/zinc/29/08/02/571290802.db2.gz KOWAQMPDCQPZCH-UHFFFAOYSA-N 1 0 363.288 4.732 50 0 FJAARO O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000253418892 571312709 /nfs/dbraw/zinc/31/27/09/571312709.db2.gz DCAXHAMYUUUKBK-MISYRCLQSA-N 1 0 374.525 4.855 50 0 FJAARO O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000253418891 571312761 /nfs/dbraw/zinc/31/27/61/571312761.db2.gz DCAXHAMYUUUKBK-DFQSSKMNSA-N 1 0 374.525 4.855 50 0 FJAARO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(-c3ccc(F)cc3Cl)c2)C1 ZINC000584887759 571314126 /nfs/dbraw/zinc/31/41/26/571314126.db2.gz KIVINMHZVDNEOF-HNNXBMFYSA-N 1 0 374.887 4.608 50 0 FJAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000002410948 571321536 /nfs/dbraw/zinc/32/15/36/571321536.db2.gz HMOJGKUPOBIJBW-RBZQAINGSA-N 1 0 365.517 4.872 50 0 FJAARO Fc1ccc(C2([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)CCCC2)cc1 ZINC000588179149 571322462 /nfs/dbraw/zinc/32/24/62/571322462.db2.gz GREBXFVRTFAOOV-UHFFFAOYSA-N 1 0 361.844 4.809 50 0 FJAARO CC(=O)Oc1ccc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000079059111 571326758 /nfs/dbraw/zinc/32/67/58/571326758.db2.gz NUWHFDGPTHWQIZ-UHFFFAOYSA-N 1 0 366.486 4.601 50 0 FJAARO C[N@H+](C1CCCC1)C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000020388057 571329156 /nfs/dbraw/zinc/32/91/56/571329156.db2.gz ZMYNJXJWTHSPIW-UHFFFAOYSA-N 1 0 369.431 4.576 50 0 FJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)N(c1ccccc1)c1ccccc1 ZINC000096028177 571334136 /nfs/dbraw/zinc/33/41/36/571334136.db2.gz BARWNAQTOFVURO-IBGZPJMESA-N 1 0 351.494 4.799 50 0 FJAARO Fc1ccc(Nc2ncc3c(n2)CCN(Cc2ccccc2Cl)C3)cc1 ZINC000021639779 571335295 /nfs/dbraw/zinc/33/52/95/571335295.db2.gz UEQVJJABGZHZFJ-UHFFFAOYSA-N 1 0 368.843 4.571 50 0 FJAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CCC(=O)Nc2ccccc2)cc1 ZINC000022199932 571336449 /nfs/dbraw/zinc/33/64/49/571336449.db2.gz IUXKVUTWQSDFGY-NRFANRHFSA-N 1 0 352.478 4.641 50 0 FJAARO CC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002907734 571341562 /nfs/dbraw/zinc/34/15/62/571341562.db2.gz IXVDOXHZSBHARN-PKTZIBPZSA-N 1 0 353.506 4.563 50 0 FJAARO Cc1c(Cl)cccc1NC(=S)N1CCC([N@@H+](C)CCC(C)C)CC1 ZINC000002912853 571341604 /nfs/dbraw/zinc/34/16/04/571341604.db2.gz SUSGDCHGTWVGFG-UHFFFAOYSA-N 1 0 367.990 4.788 50 0 FJAARO Cc1c(Cl)cccc1NC(=S)N(C(C)C)C1CC[NH+](C(C)C)CC1 ZINC000002912823 571341640 /nfs/dbraw/zinc/34/16/40/571341640.db2.gz JYKNHZVYAYZYDD-UHFFFAOYSA-N 1 0 367.990 4.928 50 0 FJAARO CC(C)CCN(C(=S)Nc1cccc(F)c1)C1CC[NH+](C(C)C)CC1 ZINC000002933458 571341882 /nfs/dbraw/zinc/34/18/82/571341882.db2.gz NKWQFTAEPAINSK-UHFFFAOYSA-N 1 0 365.562 4.743 50 0 FJAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000057381111 571342977 /nfs/dbraw/zinc/34/29/77/571342977.db2.gz RVTKJQQIJAOTHH-QGZVFWFLSA-N 1 0 352.812 4.544 50 0 FJAARO Cc1cccc(C)c1NC(=S)N1CCC([N@H+](C)C2CCCCC2)CC1 ZINC000003058503 571344354 /nfs/dbraw/zinc/34/43/54/571344354.db2.gz QEAUHCJOBJHELZ-UHFFFAOYSA-N 1 0 359.583 4.729 50 0 FJAARO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000003303529 571346984 /nfs/dbraw/zinc/34/69/84/571346984.db2.gz VVLRHHWLHILNTA-MGPUTAFESA-N 1 0 372.896 4.760 50 0 FJAARO Cc1nc2sc3c(c2c(NC[C@H](c2ccccc2)[NH+](C)C)n1)CCCC3 ZINC000003338957 571347702 /nfs/dbraw/zinc/34/77/02/571347702.db2.gz IRHSKRKWUFDUFV-QGZVFWFLSA-N 1 0 366.534 4.593 50 0 FJAARO CCc1ccc(NC(=S)N(CC[NH+]2CCCCC2)Cc2ccco2)cc1 ZINC000003662419 571352115 /nfs/dbraw/zinc/35/21/15/571352115.db2.gz QSLMLSQNEOTQTJ-UHFFFAOYSA-N 1 0 371.550 4.527 50 0 FJAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H](C)c4ccccc4)[C@H]3C=C12 ZINC000004028484 571354205 /nfs/dbraw/zinc/35/42/05/571354205.db2.gz FYEXWWJAZZNSHA-IVVFSKFDSA-N 1 0 351.490 4.572 50 0 FJAARO C[C@H]([NH2+]C(C)(C)C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000007978016 571358019 /nfs/dbraw/zinc/35/80/19/571358019.db2.gz IKHLJWYKFSZSKT-AWEZNQCLSA-N 1 0 367.518 4.602 50 0 FJAARO c1c(C[NH2+]Cc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccccc1 ZINC000248138546 209925802 /nfs/dbraw/zinc/92/58/02/209925802.db2.gz SOXIAXYMXKUNMN-UHFFFAOYSA-N 1 0 366.468 4.856 50 0 FJAARO C[NH+](C)C[C@@H]1CCCC[C@H]1[C@]1(O)c2ccccc2CSc2ccccc21 ZINC000000721937 219317383 /nfs/dbraw/zinc/31/73/83/219317383.db2.gz DYOKEZUEHYQWMK-GWJPWWOOSA-N 1 0 367.558 4.896 50 0 FJAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000000785845 219320951 /nfs/dbraw/zinc/32/09/51/219320951.db2.gz IYCPKBLAVCCJPP-UHFFFAOYSA-N 1 0 372.512 4.710 50 0 FJAARO CC(C)(C)[NH2+]C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000846721 219329447 /nfs/dbraw/zinc/32/94/47/219329447.db2.gz PAESBFXBNGSCDM-AWEZNQCLSA-N 1 0 365.304 4.850 50 0 FJAARO CC(C)C[NH+](CC(C)C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000001248493 219392449 /nfs/dbraw/zinc/39/24/49/219392449.db2.gz MFXOUUHTHFOOOW-LJQANCHMSA-N 1 0 352.522 4.769 50 0 FJAARO CCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000002178106 219430751 /nfs/dbraw/zinc/43/07/51/219430751.db2.gz ZKEKYIASRXMCMP-UHFFFAOYSA-N 1 0 351.849 4.574 50 0 FJAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1cccc(F)c1 ZINC000004678311 219594503 /nfs/dbraw/zinc/59/45/03/219594503.db2.gz ITZQSXGCDDSHOR-UHFFFAOYSA-N 1 0 360.230 4.601 50 0 FJAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000048355902 209333005 /nfs/dbraw/zinc/33/30/05/209333005.db2.gz RDWOWXNVWVFZKG-GOSISDBHSA-N 1 0 364.411 4.518 50 0 FJAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2c(OC)ccc3ccccc32)cc1 ZINC000047719724 209329375 /nfs/dbraw/zinc/32/93/75/209329375.db2.gz YGLJGZSAUFKLEG-UHFFFAOYSA-N 1 0 362.473 4.877 50 0 FJAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N(Cc1ccsc1)C1CCCCC1 ZINC000097553390 209185918 /nfs/dbraw/zinc/18/59/18/209185918.db2.gz PVTRNSLMGGWARQ-UHFFFAOYSA-N 1 0 372.534 4.912 50 0 FJAARO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccnc1 ZINC000012544015 220005853 /nfs/dbraw/zinc/00/58/53/220005853.db2.gz VOIORSTZVJYATC-QGZVFWFLSA-N 1 0 372.447 4.924 50 0 FJAARO CSCC[NH2+]Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000012596012 220010860 /nfs/dbraw/zinc/01/08/60/220010860.db2.gz PLHNCHJWMSNLGB-UHFFFAOYSA-N 1 0 373.472 4.579 50 0 FJAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)n1 ZINC000097347505 209178117 /nfs/dbraw/zinc/17/81/17/209178117.db2.gz VNFQJXHVGXDRAZ-HXUWFJFHSA-N 1 0 368.456 4.570 50 0 FJAARO C[C@H]([NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12)c1ccccc1 ZINC000012662097 220016466 /nfs/dbraw/zinc/01/64/66/220016466.db2.gz JFWJNPMZQASWPB-RPKIBTFVSA-N 1 0 353.506 4.651 50 0 FJAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3[NH2+]Cc2ccsc2)cc1 ZINC000012711322 220020013 /nfs/dbraw/zinc/02/00/13/220020013.db2.gz XBLGIUFRGGSCHB-IBGZPJMESA-N 1 0 367.518 4.746 50 0 FJAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C ZINC000012761408 220025409 /nfs/dbraw/zinc/02/54/09/220025409.db2.gz BEKYWIQELIMHPI-GOSISDBHSA-N 1 0 372.509 4.666 50 0 FJAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000012762209 220025819 /nfs/dbraw/zinc/02/58/19/220025819.db2.gz JDGYNEUHFAGKMF-MRXNPFEDSA-N 1 0 356.897 4.817 50 0 FJAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1sc2ccccc2c1Cl ZINC000012759949 220026282 /nfs/dbraw/zinc/02/62/82/220026282.db2.gz OVFZPLNLYLGCGN-OAHLLOKOSA-N 1 0 370.905 4.559 50 0 FJAARO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000012992691 220049477 /nfs/dbraw/zinc/04/94/77/220049477.db2.gz YETOIUREXXRDSP-IRXDYDNUSA-N 1 0 364.464 4.677 50 0 FJAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc2ccccc2c1 ZINC000012997277 220050756 /nfs/dbraw/zinc/05/07/56/220050756.db2.gz QDNXSCPPJLPWLD-KGLIPLIRSA-N 1 0 354.400 4.796 50 0 FJAARO OCCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000013726847 220090491 /nfs/dbraw/zinc/09/04/91/220090491.db2.gz MSWDBSZPSVGHGA-UHFFFAOYSA-N 1 0 368.304 4.825 50 0 FJAARO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1cccs1 ZINC000014114909 220107972 /nfs/dbraw/zinc/10/79/72/220107972.db2.gz YAEIILVWOUDZAW-INIZCTEOSA-N 1 0 360.486 4.847 50 0 FJAARO Cc1c([C@@H](C)[NH2+]Cc2ccccc2OC(F)F)cnn1-c1ccccc1 ZINC000015076034 220145566 /nfs/dbraw/zinc/14/55/66/220145566.db2.gz PFEMJGKEPISYJY-CQSZACIVSA-N 1 0 357.404 4.633 50 0 FJAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCCC[C@@H]1CO ZINC000015072488 220145690 /nfs/dbraw/zinc/14/56/90/220145690.db2.gz PNJICVHJGOOWOE-OAQYLSRUSA-N 1 0 362.473 4.664 50 0 FJAARO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000016449952 220184744 /nfs/dbraw/zinc/18/47/44/220184744.db2.gz GMDYYQSQBJXFRT-KRWDZBQOSA-N 1 0 366.288 4.841 50 0 FJAARO O[C@H](C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 ZINC000016477486 220185795 /nfs/dbraw/zinc/18/57/95/220185795.db2.gz OZCZPJDQSKAQJD-JOCHJYFZSA-N 1 0 367.876 4.742 50 0 FJAARO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000017311192 220212963 /nfs/dbraw/zinc/21/29/63/220212963.db2.gz NCDNQCQLJMZYPG-GCJKJVERSA-N 1 0 360.505 4.662 50 0 FJAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cccc(Br)c1 ZINC000017318757 220213655 /nfs/dbraw/zinc/21/36/55/220213655.db2.gz SBJXNWDGUDTGFP-UHFFFAOYSA-N 1 0 370.294 4.541 50 0 FJAARO OCCNC(=[NH+]c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 ZINC000002948045 206947316 /nfs/dbraw/zinc/94/73/16/206947316.db2.gz SNGWUMDVWCKFTI-UHFFFAOYSA-N 1 0 364.876 4.751 50 0 FJAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2C)CC1 ZINC000003588669 206985314 /nfs/dbraw/zinc/98/53/14/206985314.db2.gz QQJIOPCQENLHQP-UHFFFAOYSA-N 1 0 353.963 4.542 50 0 FJAARO CC(=O)Nc1sc2c(c1[C@@H](c1cccnc1)[NH+]1CCCCC1)CCCC2 ZINC000004193658 207006471 /nfs/dbraw/zinc/00/64/71/207006471.db2.gz PWNZQDIWJUPQCS-HXUWFJFHSA-N 1 0 369.534 4.556 50 0 FJAARO Cc1cccc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)c1C ZINC000004668291 207035596 /nfs/dbraw/zinc/03/55/96/207035596.db2.gz DTKDTQHJIMFVFK-LAUBAEHRSA-N 1 0 373.610 4.975 50 0 FJAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccccc1Cl ZINC000004679431 207037223 /nfs/dbraw/zinc/03/72/23/207037223.db2.gz ISMZHFQHLZJOCO-UHFFFAOYSA-N 1 0 359.832 4.601 50 0 FJAARO Cc1ccc(-c2cn3c4ccccc4nc3n2CCC[NH+]2CCCC2)cc1 ZINC000004815906 207050794 /nfs/dbraw/zinc/05/07/94/207050794.db2.gz KDZLPOASMKCPSD-UHFFFAOYSA-N 1 0 358.489 4.750 50 0 FJAARO CCC[NH+](CCC)CCCNC(=O)c1cc2c(o1)c1ccccc1nc2C ZINC000004902202 207060229 /nfs/dbraw/zinc/06/02/29/207060229.db2.gz ZBWLJWCPTBVICI-UHFFFAOYSA-N 1 0 367.493 4.531 50 0 FJAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccccc1C ZINC000005019838 207072474 /nfs/dbraw/zinc/07/24/74/207072474.db2.gz RZYOBUCHXUWTTF-UHFFFAOYSA-N 1 0 353.487 4.934 50 0 FJAARO CC[C@@H](C)[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000005061682 207078143 /nfs/dbraw/zinc/07/81/43/207078143.db2.gz CRSBMRJNJIXPFW-IUODEOHRSA-N 1 0 365.304 4.850 50 0 FJAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccc(Cl)nc1 ZINC000005244470 207089520 /nfs/dbraw/zinc/08/95/20/207089520.db2.gz ZTDKAMQXSGUXEC-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO CCN(CC)c1ccc2cc(C(=O)Nc3cc(C)ccc3C)c(=[NH2+])oc2c1 ZINC000006517595 207143022 /nfs/dbraw/zinc/14/30/22/207143022.db2.gz IADMJJOCKOUYBV-UHFFFAOYSA-N 1 0 363.461 4.628 50 0 FJAARO CCN(CC)c1ccc2cc(C(=O)Nc3cc(C)cc(C)c3)c(=[NH2+])oc2c1 ZINC000006517593 207143559 /nfs/dbraw/zinc/14/35/59/207143559.db2.gz ROQXZXOSXHCWNC-UHFFFAOYSA-N 1 0 363.461 4.628 50 0 FJAARO CCCCc1nc2ccccc2n1CC(=O)Nc1cccc2ncccc21 ZINC000006657696 207151181 /nfs/dbraw/zinc/15/11/81/207151181.db2.gz CXPAKAUBHJZDNC-UHFFFAOYSA-N 1 0 358.445 4.566 50 0 FJAARO C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000006657713 207151906 /nfs/dbraw/zinc/15/19/06/207151906.db2.gz LRTGSORHGHZERG-GOSISDBHSA-N 1 0 359.473 4.562 50 0 FJAARO COc1ccc2c(c1)c(/C=C/c1cc[n+](C)cc1)cn2Cc1ccccc1 ZINC000006719057 207156059 /nfs/dbraw/zinc/15/60/59/207156059.db2.gz GFCHQXNRHRFRCG-UHFFFAOYSA-N 1 0 355.461 4.693 50 0 FJAARO CN1CCC([NH2+]CC[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000006759099 207160779 /nfs/dbraw/zinc/16/07/79/207160779.db2.gz LRIJTMWZNPBCOZ-NRFANRHFSA-N 1 0 360.904 4.685 50 0 FJAARO COCCC[NH2+]CC[C@@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000006758247 207160799 /nfs/dbraw/zinc/16/07/99/207160799.db2.gz CSNJQYPQMKIACA-HKUYNNGSSA-N 1 0 367.961 4.720 50 0 FJAARO COCCC[NH2+]CC[C@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000006758249 207161403 /nfs/dbraw/zinc/16/14/03/207161403.db2.gz CSNJQYPQMKIACA-MJGOQNOKSA-N 1 0 367.961 4.720 50 0 FJAARO CC[NH2+][C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000006787842 207165437 /nfs/dbraw/zinc/16/54/37/207165437.db2.gz FPVUFPORQBOBEO-HNNXBMFYSA-N 1 0 356.775 4.648 50 0 FJAARO CC[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2C)CC1 ZINC000006877676 207173540 /nfs/dbraw/zinc/17/35/40/207173540.db2.gz GPYPXOSPZPMHGK-UHFFFAOYSA-N 1 0 369.484 4.653 50 0 FJAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000007261636 207191806 /nfs/dbraw/zinc/19/18/06/207191806.db2.gz YNGZQMLDQUYRGM-UHFFFAOYSA-N 1 0 351.849 4.956 50 0 FJAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc2cc(Cl)ccc2o1 ZINC000008013005 207215554 /nfs/dbraw/zinc/21/55/54/207215554.db2.gz ALMNIKUHFTZILV-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO COc1ccccc1NC(=O)[C@H](C)Nc1ccc([NH+]2CCCCCC2)cc1 ZINC000008136137 207220990 /nfs/dbraw/zinc/22/09/90/207220990.db2.gz AYKHSRDKTSPVIR-KRWDZBQOSA-N 1 0 367.493 4.515 50 0 FJAARO CCOC(=O)C1CC[NH+](Cc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000008325994 207228759 /nfs/dbraw/zinc/22/87/59/207228759.db2.gz ZZRORDZMHDSWPU-UHFFFAOYSA-N 1 0 362.473 4.610 50 0 FJAARO CCOc1cc2c(cc1C[NH2+]Cc1ccc(C(F)(F)F)cc1)O[C@@H](C)C2 ZINC000008402990 207232029 /nfs/dbraw/zinc/23/20/29/207232029.db2.gz QKINWPVWWBGEGI-ZDUSSCGKSA-N 1 0 365.395 4.717 50 0 FJAARO COc1cccc(C[NH2+]Cc2ccccc2)c1OCc1ccc(F)cc1 ZINC000008495399 207235549 /nfs/dbraw/zinc/23/55/49/207235549.db2.gz XZPFYJRWEJLEFO-UHFFFAOYSA-N 1 0 351.421 4.703 50 0 FJAARO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008717532 207243835 /nfs/dbraw/zinc/24/38/35/207243835.db2.gz VCBJIRDVEMZHCI-SBUREZEXSA-N 1 0 367.537 4.715 50 0 FJAARO c1ccc(OCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000009481581 207274058 /nfs/dbraw/zinc/27/40/58/207274058.db2.gz VLIIPKWWJKQHMZ-UHFFFAOYSA-N 1 0 352.503 4.945 50 0 FJAARO Cc1cc(C)c(NC(=S)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000036847486 207299641 /nfs/dbraw/zinc/29/96/41/207299641.db2.gz CLQOWQIQBDGAFV-GJZGRUSLSA-N 1 0 353.963 4.506 50 0 FJAARO C[NH+](C)Cc1ccccc1CNC(=O)c1sc2ccccc2c1Cl ZINC000009917237 207289077 /nfs/dbraw/zinc/28/90/77/207289077.db2.gz GNVNVZVSFFPJNF-UHFFFAOYSA-N 1 0 358.894 4.546 50 0 FJAARO CC(C)C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C(C)C ZINC000009942782 207290231 /nfs/dbraw/zinc/29/02/31/207290231.db2.gz BQZBDVIEFPDJLQ-UHFFFAOYSA-N 1 0 356.514 4.588 50 0 FJAARO CSc1ccc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 ZINC000011998755 207332054 /nfs/dbraw/zinc/33/20/54/207332054.db2.gz DLSMEKGQVHDROD-CQSZACIVSA-N 1 0 355.482 4.893 50 0 FJAARO CC(C)[NH+]1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000012029423 207334138 /nfs/dbraw/zinc/33/41/38/207334138.db2.gz NXSABUXKKXZVKX-UHFFFAOYSA-N 1 0 363.461 4.554 50 0 FJAARO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000011874291 207328034 /nfs/dbraw/zinc/32/80/34/207328034.db2.gz FHLGMVCRCMXFMI-QHCPKHFHSA-N 1 0 356.469 4.844 50 0 FJAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4cccc(C)n4)C3)ccc2c1 ZINC000011932694 207329147 /nfs/dbraw/zinc/32/91/47/207329147.db2.gz XXLDPDOCCFMHIA-NRFANRHFSA-N 1 0 374.484 4.647 50 0 FJAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+](CCO)C(C)C ZINC000012315418 207359913 /nfs/dbraw/zinc/35/99/13/207359913.db2.gz CHVWMSPMCIIYOG-UHFFFAOYSA-N 1 0 350.462 4.520 50 0 FJAARO Cc1c(C)n(Cc2ccncc2)c2[nH+]c(C)c(Cc3ccccc3)c(N)c12 ZINC000012321322 207361813 /nfs/dbraw/zinc/36/18/13/207361813.db2.gz FVPMRYSRVPRMPO-UHFFFAOYSA-N 1 0 356.473 4.578 50 0 FJAARO COCCCC1CC[NH+](Cc2c[nH]nc2-c2cccc3ccccc32)CC1 ZINC000012434420 207376056 /nfs/dbraw/zinc/37/60/56/207376056.db2.gz VCBZJHUDLLSKLB-UHFFFAOYSA-N 1 0 363.505 4.869 50 0 FJAARO Fc1ccccc1-n1ncc2c1CCC[C@H]2[NH2+]Cc1cc2ccccc2[nH]1 ZINC000012578696 207395889 /nfs/dbraw/zinc/39/58/89/207395889.db2.gz WPLDTUOIIKEORV-HXUWFJFHSA-N 1 0 360.436 4.660 50 0 FJAARO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000012676466 207406307 /nfs/dbraw/zinc/40/63/07/207406307.db2.gz PEGSMEXVVIIRRN-UGSOOPFHSA-N 1 0 373.294 4.517 50 0 FJAARO CCCOc1c(Br)cc(C[NH2+]C(C)(C)CC)cc1OCC ZINC000020932644 207759101 /nfs/dbraw/zinc/75/91/01/207759101.db2.gz CSNQUVNIGCBCBP-UHFFFAOYSA-N 1 0 358.320 4.915 50 0 FJAARO Cc1cc(C)cc(NC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)c1 ZINC000021663472 207777278 /nfs/dbraw/zinc/77/72/78/207777278.db2.gz YNFWTYZIAVWQEJ-UHFFFAOYSA-N 1 0 369.534 4.529 50 0 FJAARO c1ccc([C@H]2C[NH2+][C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c32)cc1 ZINC000023956891 207856681 /nfs/dbraw/zinc/85/66/81/207856681.db2.gz CKQGMZMTPNSSTE-WZONZLPQSA-N 1 0 368.436 4.721 50 0 FJAARO CC[NH+](CC)[C@H](CNC(=O)c1occc1-c1ccccc1)c1ccsc1 ZINC000031992654 208022533 /nfs/dbraw/zinc/02/25/33/208022533.db2.gz QLRBJDHXOYWLGK-LJQANCHMSA-N 1 0 368.502 4.821 50 0 FJAARO C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000032904219 208054304 /nfs/dbraw/zinc/05/43/04/208054304.db2.gz OXOXYDWEGJJKNN-SFHVURJKSA-N 1 0 366.505 4.857 50 0 FJAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)c(OC)c1OC ZINC000033087129 208070235 /nfs/dbraw/zinc/07/02/35/208070235.db2.gz MCIQPSSBCJNNFP-INIZCTEOSA-N 1 0 361.507 4.891 50 0 FJAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000035805220 208134642 /nfs/dbraw/zinc/13/46/42/208134642.db2.gz RDSHOQFPXWAROE-INIZCTEOSA-N 1 0 352.400 4.539 50 0 FJAARO CCC[C@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1C ZINC000035840767 208136835 /nfs/dbraw/zinc/13/68/35/208136835.db2.gz PZBBGTKGCHJIBX-QHCPKHFHSA-N 1 0 356.554 4.854 50 0 FJAARO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000034682763 208104596 /nfs/dbraw/zinc/10/45/96/208104596.db2.gz VWOAVTGIIGJXLQ-UHFFFAOYSA-N 1 0 360.498 4.685 50 0 FJAARO CC(C)CC[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036031915 208140677 /nfs/dbraw/zinc/14/06/77/208140677.db2.gz MTYGVOWCWWPKFH-GOSISDBHSA-N 1 0 367.942 4.690 50 0 FJAARO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)cc2)cc1O ZINC000036348728 208155687 /nfs/dbraw/zinc/15/56/87/208155687.db2.gz UPKMJYQGRIKSPR-QHCPKHFHSA-N 1 0 362.473 4.506 50 0 FJAARO CC(C)CC[NH2+][C@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000039143242 208208965 /nfs/dbraw/zinc/20/89/65/208208965.db2.gz AYVXWNDWJXSNJK-PGRDOPGGSA-N 1 0 350.506 4.798 50 0 FJAARO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037559962 208182100 /nfs/dbraw/zinc/18/21/00/208182100.db2.gz UGDGXUNVBPESLA-UHFFFAOYSA-N 1 0 372.459 4.763 50 0 FJAARO OCCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000040720950 208263437 /nfs/dbraw/zinc/26/34/37/208263437.db2.gz HNJSCOJXBFEIPJ-UHFFFAOYSA-N 1 0 369.892 4.934 50 0 FJAARO C[NH+](C)CCCNCc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040720353 208264051 /nfs/dbraw/zinc/26/40/51/208264051.db2.gz QAFJYOZZXLIDBE-UHFFFAOYSA-N 1 0 367.320 4.614 50 0 FJAARO COc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OC(C)C ZINC000040728821 208265260 /nfs/dbraw/zinc/26/52/60/208265260.db2.gz BXNRMASLRZSWDB-UHFFFAOYSA-N 1 0 356.304 4.667 50 0 FJAARO CC(C)Oc1ccc(Br)cc1C[NH2+]CCc1ccccc1F ZINC000040730181 208265438 /nfs/dbraw/zinc/26/54/38/208265438.db2.gz AHHNIGJGPGNRJK-UHFFFAOYSA-N 1 0 366.274 4.708 50 0 FJAARO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3C)c2)cc1 ZINC000040738309 208266680 /nfs/dbraw/zinc/26/66/80/208266680.db2.gz IGPOLKLENBBGTG-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO CCCC[NH2+]Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040743575 208268336 /nfs/dbraw/zinc/26/83/36/208268336.db2.gz DZVBTSIRGZJQDV-UHFFFAOYSA-N 1 0 360.885 4.556 50 0 FJAARO OCCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000040744869 208268931 /nfs/dbraw/zinc/26/89/31/208268931.db2.gz ZAKIWMKJUVIFNP-UHFFFAOYSA-N 1 0 355.865 4.544 50 0 FJAARO CC(C)(c1ccccc1)c1ccc(OC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042770671 208296651 /nfs/dbraw/zinc/29/66/51/208296651.db2.gz KRCRZTTVEPAOPW-HNNXBMFYSA-N 1 0 374.322 4.763 50 0 FJAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C ZINC000044856372 208320503 /nfs/dbraw/zinc/32/05/03/208320503.db2.gz FSBNCYDWJQANMX-SFHVURJKSA-N 1 0 368.496 4.532 50 0 FJAARO COc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)c(C)o2)c(F)c1 ZINC000020537961 220332324 /nfs/dbraw/zinc/33/23/24/220332324.db2.gz YPIWUIARUWROAQ-HOTGVXAUSA-N 1 0 358.457 4.810 50 0 FJAARO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000020776152 220341735 /nfs/dbraw/zinc/34/17/35/220341735.db2.gz ZKGLCGRMRGEAMN-ZDUSSCGKSA-N 1 0 359.445 4.796 50 0 FJAARO COc1cccc([C@@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864918 220342756 /nfs/dbraw/zinc/34/27/56/220342756.db2.gz LHTJIRMYTXFCQU-FQEVSTJZSA-N 1 0 350.487 4.619 50 0 FJAARO CC(C)C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000020856731 220343266 /nfs/dbraw/zinc/34/32/66/220343266.db2.gz NUVDKAIHOWIXET-HNNXBMFYSA-N 1 0 351.416 4.931 50 0 FJAARO COc1cc(Br)cc(C[NH2+]C(C)(C)CC(C)(C)C)c1OC ZINC000020933862 220346426 /nfs/dbraw/zinc/34/64/26/220346426.db2.gz QGAMOIKEZPIKPB-UHFFFAOYSA-N 1 0 358.320 4.771 50 0 FJAARO c1c2ccccc2oc1C[N@@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065397834 208673292 /nfs/dbraw/zinc/67/32/92/208673292.db2.gz KSXDUZCJBWHKEZ-FQEVSTJZSA-N 1 0 355.441 4.879 50 0 FJAARO Cc1oc(-c2ccccc2)nc1-c1c(-c2ccccc2)ncn1[C@H]1CC[NH2+]C1 ZINC000065455010 208681561 /nfs/dbraw/zinc/68/15/61/208681561.db2.gz HBUBDKJTLFRNIH-IBGZPJMESA-N 1 0 370.456 4.715 50 0 FJAARO CCC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000021169890 220354465 /nfs/dbraw/zinc/35/44/65/220354465.db2.gz CKROAUPDLQCLRP-PKTZIBPZSA-N 1 0 353.506 4.563 50 0 FJAARO COc1cc2c(cc1C[N@@H+]1CCCC[C@H]1CO)oc(C)c2-c1ccccc1 ZINC000022077701 220377030 /nfs/dbraw/zinc/37/70/30/220377030.db2.gz VXAVILQUDIBJRH-IBGZPJMESA-N 1 0 365.473 4.764 50 0 FJAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000022630547 220392553 /nfs/dbraw/zinc/39/25/53/220392553.db2.gz JLTVPNJABRETSB-HNNXBMFYSA-N 1 0 372.534 4.548 50 0 FJAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2ccccn2)cc1 ZINC000023909036 220434911 /nfs/dbraw/zinc/43/49/11/220434911.db2.gz SKRFEDNZXCVUHZ-UHFFFAOYSA-N 1 0 368.484 4.575 50 0 FJAARO OCC1(CCCc2ccccc2)CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000076846963 208892900 /nfs/dbraw/zinc/89/29/00/208892900.db2.gz VZQHMRZMBVWNIG-UHFFFAOYSA-N 1 0 374.528 4.832 50 0 FJAARO Cc1[nH+]c(CNC(=O)Nc2sc3ccccc3c2Cl)c2ccccn12 ZINC000089708975 208967403 /nfs/dbraw/zinc/96/74/03/208967403.db2.gz BJYZGUCOGMCCNO-UHFFFAOYSA-N 1 0 370.865 4.833 50 0 FJAARO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OC(C)C ZINC000040728743 220917386 /nfs/dbraw/zinc/91/73/86/220917386.db2.gz GDIPOWOIKBDDRH-UHFFFAOYSA-N 1 0 352.478 4.686 50 0 FJAARO COc1ccccc1CC[NH2+]Cc1cccc(OCc2cccc(C)c2)c1 ZINC000040738188 220919279 /nfs/dbraw/zinc/91/92/79/220919279.db2.gz SMDCGMOTZBCQAH-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO COCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743283 220919490 /nfs/dbraw/zinc/91/94/90/220919490.db2.gz XEMLPCJFBXDNJK-UHFFFAOYSA-N 1 0 372.267 4.838 50 0 FJAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)cc1OC(F)F ZINC000095453813 209053021 /nfs/dbraw/zinc/05/30/21/209053021.db2.gz YLSXNIZXOIVXGZ-KRWDZBQOSA-N 1 0 362.420 4.809 50 0 FJAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000048355901 221010131 /nfs/dbraw/zinc/01/01/31/221010131.db2.gz RDWOWXNVWVFZKG-SFHVURJKSA-N 1 0 364.411 4.518 50 0 FJAARO Cc1c(=O)[nH]c(-c2ccccc2C[N@@H+](C)CCC(C)C)nc1C(F)(F)F ZINC000048194570 221000905 /nfs/dbraw/zinc/00/09/05/221000905.db2.gz UGODATRATNHSNP-UHFFFAOYSA-N 1 0 367.415 4.654 50 0 FJAARO COCc1nc(C)c(C[NH2+]Cc2c3ccccc3n(CC(C)C)c2C)s1 ZINC000055327453 221065516 /nfs/dbraw/zinc/06/55/16/221065516.db2.gz MVDOQMVXOOVFLU-UHFFFAOYSA-N 1 0 371.550 4.807 50 0 FJAARO CC(C)(C)C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1cccnc1 ZINC000055393286 221068489 /nfs/dbraw/zinc/06/84/89/221068489.db2.gz WSLQAUMBBVFVTK-LJQANCHMSA-N 1 0 352.457 4.878 50 0 FJAARO Cc1nc2scc(-c3cccs3)c2c(NC[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000058183241 221104319 /nfs/dbraw/zinc/10/43/19/221104319.db2.gz XQOFBOMYPJCWMF-CQSZACIVSA-N 1 0 372.563 4.870 50 0 FJAARO Cc1ccc(C)c(NC(=S)N2CCCN(Cc3cccc(Cl)c3)C2)c1 ZINC000058096562 221098026 /nfs/dbraw/zinc/09/80/26/221098026.db2.gz RZWSMMAVAOLWMI-UHFFFAOYSA-N 1 0 373.953 4.819 50 0 FJAARO Cc1cc(C)c(NC(=S)N2CCCN(Cc3ccccc3F)C2)c(C)c1 ZINC000058096246 221098215 /nfs/dbraw/zinc/09/82/15/221098215.db2.gz DPZMQLWJTBJBKG-UHFFFAOYSA-N 1 0 371.525 4.613 50 0 FJAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000058820400 221122832 /nfs/dbraw/zinc/12/28/32/221122832.db2.gz JSCQPVGBIBATSH-UHFFFAOYSA-N 1 0 370.924 4.528 50 0 FJAARO Cc1nc[nH]c1C[N@@H+]1CC[C@@H](c2ccnc(-c3c[nH]c4c3cccc4C)c2)C1 ZINC000065373052 221205490 /nfs/dbraw/zinc/20/54/90/221205490.db2.gz QYTSPDYUBPSEHX-GOSISDBHSA-N 1 0 371.488 4.559 50 0 FJAARO C[C@H](CC[NH+]1CCOCC1)n1cnc(-c2ccccc2)c1-c1ccsc1 ZINC000065394218 221209860 /nfs/dbraw/zinc/20/98/60/221209860.db2.gz CCHFKEPJJFDZIG-QGZVFWFLSA-N 1 0 367.518 4.562 50 0 FJAARO C[NH+](Cc1ccc(Br)cc1)Cc1ccc(Br)cc1 ZINC000070136282 221332054 /nfs/dbraw/zinc/33/20/54/221332054.db2.gz IHQNAEPEGBYGKO-UHFFFAOYSA-N 1 0 369.100 4.844 50 0 FJAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)o1 ZINC000069629988 221327238 /nfs/dbraw/zinc/32/72/38/221327238.db2.gz MVRUMBCOHQCCEC-KRWDZBQOSA-N 1 0 373.403 4.747 50 0 FJAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)nc(Cl)c1 ZINC000070016988 221330390 /nfs/dbraw/zinc/33/03/90/221330390.db2.gz ZSIIOLCRFLSNJD-HNNXBMFYSA-N 1 0 351.277 4.604 50 0 FJAARO C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CCN(c2ccccc2)CC1 ZINC000225519244 132285157 /nfs/dbraw/zinc/28/51/57/132285157.db2.gz NZCVFCFAXNIISW-UHFFFAOYSA-N 1 0 365.452 4.582 50 0 FJAARO COc1cccc(N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 ZINC000000756629 132378458 /nfs/dbraw/zinc/37/84/58/132378458.db2.gz CAVCSDUWDLWHNM-UHFFFAOYSA-N 1 0 350.506 4.544 50 0 FJAARO C[NH+](C)CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000001233895 132381409 /nfs/dbraw/zinc/38/14/09/132381409.db2.gz GUXWHHMTPDUNQW-UHFFFAOYSA-N 1 0 366.408 4.786 50 0 FJAARO CC1CC[NH+](CCCNc2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000089929969 221743600 /nfs/dbraw/zinc/74/36/00/221743600.db2.gz DRIVDZKGYLBIHW-UHFFFAOYSA-N 1 0 351.416 4.788 50 0 FJAARO CC(=O)Nc1sc2scc(-c3ccccc3)[n+]2c1-c1ccccc1 ZINC000098086553 222228399 /nfs/dbraw/zinc/22/83/99/222228399.db2.gz CAOCWFZXCVKIFT-UHFFFAOYSA-O 1 0 351.476 4.841 50 0 FJAARO CCn1c2ccccc2c2cc(C[NH2+]CCCOc3ccccn3)ccc21 ZINC000113397275 222493704 /nfs/dbraw/zinc/49/37/04/222493704.db2.gz MWYHJIXYNVMTBX-UHFFFAOYSA-N 1 0 359.473 4.768 50 0 FJAARO Cc1oc(-c2ccccc2)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004390807 263333025 /nfs/dbraw/zinc/33/30/25/263333025.db2.gz SJOVZWDBFVPZMM-UHFFFAOYSA-N 1 0 374.484 4.649 50 0 FJAARO CC[NH+](CC)C[C@@H]1CCCN1C(=O)c1ccc(-c2cc(F)ccc2C)cc1 ZINC000426546220 263630644 /nfs/dbraw/zinc/63/06/44/263630644.db2.gz ONGOWQNQFBFEET-NRFANRHFSA-N 1 0 368.496 4.748 50 0 FJAARO CC(C)=CCC/C(C)=C/C[N@@H+]1CCc2[nH]nc(-c3c(C)noc3C)c2C1 ZINC000019850660 519403600 /nfs/dbraw/zinc/40/36/00/519403600.db2.gz JPCACRHFBJQKBI-OQLLNIDSSA-N 1 0 354.498 4.732 50 0 FJAARO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@@H]21 ZINC000248195152 524259799 /nfs/dbraw/zinc/25/97/99/524259799.db2.gz ORYWHTWXSGORLG-AVODLEKQSA-N 1 0 371.521 4.505 50 0 FJAARO C[C@H]1C[NH+](CCCCOc2ccc(Cl)cc2C(C)(C)C)C[C@H](C)O1 ZINC000020166807 524590865 /nfs/dbraw/zinc/59/08/65/524590865.db2.gz HVDDKMIHPYAPGZ-HOTGVXAUSA-N 1 0 353.934 4.906 50 0 FJAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000089909822 524723878 /nfs/dbraw/zinc/72/38/78/524723878.db2.gz LPPBHNVLJIEBCZ-QGZVFWFLSA-N 1 0 360.457 4.652 50 0 FJAARO C[C@@H]1C[NH+](CCCCOc2cccc(Oc3ccccc3)c2)C[C@@H](C)O1 ZINC000020168449 524945806 /nfs/dbraw/zinc/94/58/06/524945806.db2.gz SGTHCPWGCBTTQS-RTBURBONSA-N 1 0 355.478 4.747 50 0 FJAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000020889636 525154584 /nfs/dbraw/zinc/15/45/84/525154584.db2.gz QOYXKNQOCHFJQF-UHFFFAOYSA-N 1 0 371.912 4.682 50 0 FJAARO Cc1csc(C2([NH2+]Cc3ccc(OCC(F)F)cc3)CCCC2)n1 ZINC000078904326 526327025 /nfs/dbraw/zinc/32/70/25/526327025.db2.gz LOVGNEXAMLHWHB-UHFFFAOYSA-N 1 0 352.450 4.655 50 0 FJAARO c1ccc(C[NH+]2CCN(CCOc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000019891650 526470649 /nfs/dbraw/zinc/47/06/49/526470649.db2.gz IKBSUJSLCUTAQX-UHFFFAOYSA-N 1 0 372.512 4.550 50 0 FJAARO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000020203302 526751896 /nfs/dbraw/zinc/75/18/96/526751896.db2.gz ZINILCAHPHYAPU-INIZCTEOSA-N 1 0 363.379 4.506 50 0 FJAARO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000089517380 526928030 /nfs/dbraw/zinc/92/80/30/526928030.db2.gz OYTOMXNSICLWAG-KSSFIOAISA-N 1 0 350.487 4.827 50 0 FJAARO O=C(C[C@@H]1[NH2+]CCc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 ZINC000020389327 527139509 /nfs/dbraw/zinc/13/95/09/527139509.db2.gz PGQAPBDURPHHDJ-QFIPXVFZSA-N 1 0 358.441 4.695 50 0 FJAARO O[C@@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 ZINC000019872523 527652630 /nfs/dbraw/zinc/65/26/30/527652630.db2.gz IPORDDGVXNJJCR-SFHVURJKSA-N 1 0 372.262 4.532 50 0 FJAARO FC(F)(F)c1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000239274879 527681985 /nfs/dbraw/zinc/68/19/85/527681985.db2.gz AVAXCWYVNPJHNB-VQTJNVASSA-N 1 0 366.471 4.934 50 0 FJAARO COc1cccc(-c2ccc(N3CCC([NH2+]Cc4ccncc4)CC3)cc2)c1 ZINC000023428676 537065354 /nfs/dbraw/zinc/06/53/54/537065354.db2.gz LEVDFABZPBGOHF-UHFFFAOYSA-N 1 0 373.500 4.516 50 0 FJAARO CC(C)(C)c1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000024830982 538546077 /nfs/dbraw/zinc/54/60/77/538546077.db2.gz CEFJNEKFAGXUET-UHFFFAOYSA-N 1 0 350.506 4.835 50 0 FJAARO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000216184725 568110550 /nfs/dbraw/zinc/11/05/50/568110550.db2.gz ZPNSOHUNLGXFFF-HZPDHXFCSA-N 1 0 357.448 4.891 50 0 FJAARO O=C(c1cccc(-c2cccc(F)c2)c1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000222279083 568511276 /nfs/dbraw/zinc/51/12/76/568511276.db2.gz MGVOQFYAPBMWDK-JOCHJYFZSA-N 1 0 366.480 4.583 50 0 FJAARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OC ZINC000002886203 570543131 /nfs/dbraw/zinc/54/31/31/570543131.db2.gz WYNQRZARKBHRMU-CYBMUJFWSA-N 1 0 364.283 4.707 50 0 FJAARO Clc1cc(Cl)cc(-c2ccc(C[NH2+]CCOc3ccccn3)o2)c1 ZINC000113396009 570543973 /nfs/dbraw/zinc/54/39/73/570543973.db2.gz WPKLCYXDFFSNBO-UHFFFAOYSA-N 1 0 363.244 4.817 50 0 FJAARO Clc1cccc(-c2ccc(C[NH2+]CCc3nc4ccccc4[nH]3)o2)c1 ZINC000113399204 570544385 /nfs/dbraw/zinc/54/43/85/570544385.db2.gz WLLAIHDBHHMXPK-UHFFFAOYSA-N 1 0 351.837 4.809 50 0 FJAARO O=C(Nc1cc2ccccc2s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004324783 570585128 /nfs/dbraw/zinc/58/51/28/570585128.db2.gz WXZBRUYOPTXNBJ-UHFFFAOYSA-N 1 0 365.502 4.687 50 0 FJAARO C[C@](O)(C[NH2+]Cc1ccc(Cl)cc1)CSc1cccc(Cl)c1 ZINC000004390034 570589311 /nfs/dbraw/zinc/58/93/11/570589311.db2.gz MKABSEMANSBTCM-KRWDZBQOSA-N 1 0 356.318 4.626 50 0 FJAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1cccc(Cl)c1 ZINC000004413630 570590116 /nfs/dbraw/zinc/59/01/16/570590116.db2.gz RRMSFBFISOQLMO-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000004725579 570603332 /nfs/dbraw/zinc/60/33/32/570603332.db2.gz KKKWPCQEYDOALJ-XJZVHDHVSA-N 1 0 362.517 4.679 50 0 FJAARO Cc1cccc(NC(=O)COc2ccccc2C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000004853809 570610873 /nfs/dbraw/zinc/61/08/73/570610873.db2.gz CAQVTWMVWQNIIU-IBGZPJMESA-N 1 0 374.484 4.863 50 0 FJAARO O=C(NCC1([NH+]2CCCC2)CCCC1)c1ccc(-c2cccs2)cc1 ZINC000426538380 570614776 /nfs/dbraw/zinc/61/47/76/570614776.db2.gz OGWAMKNOGNHSGN-UHFFFAOYSA-N 1 0 354.519 4.554 50 0 FJAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc(-c3cccc4[nH]ccc43)c2)C1 ZINC000426573341 570616815 /nfs/dbraw/zinc/61/68/15/570616815.db2.gz XNPWYUNDMVUINS-QGZVFWFLSA-N 1 0 373.500 4.534 50 0 FJAARO CCCOc1ccc(-c2c(C)n(O)c(CC)c(-c3ccccc3)[n+]2=O)cc1 ZINC000136089115 570629998 /nfs/dbraw/zinc/62/99/98/570629998.db2.gz FRCOYQYQENBMKY-UHFFFAOYSA-N 1 0 365.453 4.634 50 0 FJAARO O[C@H](C[NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000311588479 570638142 /nfs/dbraw/zinc/63/81/42/570638142.db2.gz FXAPYQXYYSGZHZ-JOCHJYFZSA-N 1 0 367.876 4.742 50 0 FJAARO C[NH+](C)Cc1ccc([C@]2(O)c3ccccc3CSc3ccccc32)cc1 ZINC000006637778 570650883 /nfs/dbraw/zinc/65/08/83/570650883.db2.gz DMVZIBMGJAPFSA-QHCPKHFHSA-N 1 0 361.510 4.638 50 0 FJAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)o1 ZINC000007539040 570665738 /nfs/dbraw/zinc/66/57/38/570665738.db2.gz LTTCKIHOPUZZRH-UHFFFAOYSA-N 1 0 355.821 4.927 50 0 FJAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000008326707 570680336 /nfs/dbraw/zinc/68/03/36/570680336.db2.gz QFVHDUNORYVODJ-ZDUSSCGKSA-N 1 0 351.849 4.955 50 0 FJAARO C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008497931 570682612 /nfs/dbraw/zinc/68/26/12/570682612.db2.gz VZEPBVSOILIOFC-NSHDSACASA-N 1 0 374.695 4.696 50 0 FJAARO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000008472012 570682619 /nfs/dbraw/zinc/68/26/19/570682619.db2.gz MFUGAFCFZSSHPA-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO C[C@@H](O)C[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000008535043 570682769 /nfs/dbraw/zinc/68/27/69/570682769.db2.gz MTQLEULVYDSOEA-OAHLLOKOSA-N 1 0 355.865 4.543 50 0 FJAARO Cc1c(C[NH2+]C[C@H]2CCCO2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315543 570699756 /nfs/dbraw/zinc/69/97/56/570699756.db2.gz LXPNJZCUPRDNRA-GOSISDBHSA-N 1 0 368.908 4.920 50 0 FJAARO CC[N@@H+](Cc1ccc(C)o1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011719318 570706213 /nfs/dbraw/zinc/70/62/13/570706213.db2.gz HVUNNAAGILCBDO-FQEVSTJZSA-N 1 0 358.501 4.504 50 0 FJAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)n1 ZINC000011821048 570708963 /nfs/dbraw/zinc/70/89/63/570708963.db2.gz PFXZMWWSACIWJI-LJQANCHMSA-N 1 0 350.506 4.782 50 0 FJAARO CCOc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)ccc1O ZINC000012073400 570716650 /nfs/dbraw/zinc/71/66/50/570716650.db2.gz UBZVNRRYVNPENZ-KRWDZBQOSA-N 1 0 373.880 4.539 50 0 FJAARO Cc1cccc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)n1 ZINC000012305238 570734841 /nfs/dbraw/zinc/73/48/41/570734841.db2.gz OYONVECLHQWXFP-FQEVSTJZSA-N 1 0 360.505 4.687 50 0 FJAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012437715 570745117 /nfs/dbraw/zinc/74/51/17/570745117.db2.gz HBJGKNBCHGRSOA-LJQANCHMSA-N 1 0 364.876 4.983 50 0 FJAARO Cc1c([C@H](C)[NH2+]Cc2cc(C)ccc2-n2cccn2)cnn1-c1ccccc1 ZINC000012718134 570758150 /nfs/dbraw/zinc/75/81/50/570758150.db2.gz UQMCKPLIGNKXGU-SFHVURJKSA-N 1 0 371.488 4.526 50 0 FJAARO CC(C)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012812621 570764391 /nfs/dbraw/zinc/76/43/91/570764391.db2.gz ZBTGKYKDWWHYQJ-OAHLLOKOSA-N 1 0 365.926 4.588 50 0 FJAARO CCCCOCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1 ZINC000013720027 570786358 /nfs/dbraw/zinc/78/63/58/570786358.db2.gz USHZPAYQKRFKLH-UHFFFAOYSA-N 1 0 371.521 4.961 50 0 FJAARO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000013719231 570786380 /nfs/dbraw/zinc/78/63/80/570786380.db2.gz HYZFYHFVZQNZDE-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730677 570788148 /nfs/dbraw/zinc/78/81/48/570788148.db2.gz MYJIILISLPBNKD-UHFFFAOYSA-N 1 0 373.088 4.971 50 0 FJAARO COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1Cc1ccccc1F ZINC000013758772 570789437 /nfs/dbraw/zinc/78/94/37/570789437.db2.gz KDSGEFWXLQJWCW-WWPVKYPJSA-N 1 0 369.480 4.703 50 0 FJAARO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000013945737 570798519 /nfs/dbraw/zinc/79/85/19/570798519.db2.gz STRGRNJBFZRHLQ-UHFFFAOYSA-N 1 0 350.506 4.969 50 0 FJAARO CCCCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000014110005 570806161 /nfs/dbraw/zinc/80/61/61/570806161.db2.gz OJCGRTOFTBNZNG-UHFFFAOYSA-N 1 0 352.478 4.714 50 0 FJAARO Cc1c(Cl)c(CN(C)Cc2ccc3c(c2)OCO3)nc2ccccc12 ZINC000014124638 570806924 /nfs/dbraw/zinc/80/69/24/570806924.db2.gz ZHKUDTXLMRMEBD-UHFFFAOYSA-N 1 0 354.837 4.557 50 0 FJAARO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cc(F)cc2cccnc21 ZINC000032825182 570816572 /nfs/dbraw/zinc/81/65/72/570816572.db2.gz NZYLJBMDVTWDHI-UHFFFAOYSA-N 1 0 365.452 4.533 50 0 FJAARO CCCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)c1C ZINC000014972966 570827364 /nfs/dbraw/zinc/82/73/64/570827364.db2.gz NGCKLWRBBJFDMQ-QGZVFWFLSA-N 1 0 373.928 4.658 50 0 FJAARO Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000015007701 570828922 /nfs/dbraw/zinc/82/89/22/570828922.db2.gz RMZJMCOIHKPRKH-UHFFFAOYSA-N 1 0 353.416 4.735 50 0 FJAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000015062461 570830278 /nfs/dbraw/zinc/83/02/78/570830278.db2.gz SOMOJDXMDHWBMT-GOSISDBHSA-N 1 0 374.573 4.887 50 0 FJAARO C[NH+](C)C[C@@H]1CCCC[C@H]1[C@@]1(O)c2ccccc2CSc2ccccc21 ZINC000017185486 570870259 /nfs/dbraw/zinc/87/02/59/570870259.db2.gz DYOKEZUEHYQWMK-GEQKSPFYSA-N 1 0 367.558 4.896 50 0 FJAARO CCN(Cc1nc2ccccc2s1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000060197790 570881137 /nfs/dbraw/zinc/88/11/37/570881137.db2.gz FGWKVWAHBHICAB-PKOBYXMFSA-N 1 0 365.546 4.954 50 0 FJAARO COC(=O)c1ccc(C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000019608795 570896226 /nfs/dbraw/zinc/89/62/26/570896226.db2.gz JKMQBENCJHHPCE-UHFFFAOYSA-N 1 0 359.469 4.718 50 0 FJAARO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000107349873 570896536 /nfs/dbraw/zinc/89/65/36/570896536.db2.gz CGFWEOJYWXJTOX-RHSMWYFYSA-N 1 0 369.415 4.955 50 0 FJAARO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)C1 ZINC000108114880 570902977 /nfs/dbraw/zinc/90/29/77/570902977.db2.gz PTHJUCNHWFUTHB-LZLYRXPVSA-N 1 0 357.567 4.927 50 0 FJAARO CCCC(=O)Nc1cccc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1C ZINC000108370546 570906225 /nfs/dbraw/zinc/90/62/25/570906225.db2.gz RWBAPVOYCAHFIM-UYAOXDASSA-N 1 0 365.521 4.981 50 0 FJAARO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCCC)c(OCC)c1 ZINC000020932160 570927188 /nfs/dbraw/zinc/92/71/88/570927188.db2.gz JBUHRKRWEBGUBB-UHFFFAOYSA-N 1 0 357.922 4.824 50 0 FJAARO CCCOc1c(Br)cc(C[NH2+]CCC(C)C)cc1OCC ZINC000020932638 570927262 /nfs/dbraw/zinc/92/72/62/570927262.db2.gz YLUXTOICLHRZRC-UHFFFAOYSA-N 1 0 358.320 4.772 50 0 FJAARO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1cn(CC)c2ccc(OC)cc12 ZINC000021720733 570933840 /nfs/dbraw/zinc/93/38/40/570933840.db2.gz VSVNNVRNEYPFIP-HXUWFJFHSA-N 1 0 367.493 4.866 50 0 FJAARO CC1(C)CC(NC(=O)c2sc3ccccc3c2Cl)CC(C)(C)[NH2+]1 ZINC000010815452 570938347 /nfs/dbraw/zinc/93/83/47/570938347.db2.gz IMOWMBCFUKZXDC-UHFFFAOYSA-N 1 0 350.915 4.594 50 0 FJAARO COc1ccc2cc(C[NH2+]C[C@@H](c3cccs3)N3CCCC3)ccc2c1 ZINC000022932615 570953319 /nfs/dbraw/zinc/95/33/19/570953319.db2.gz PPWZIXKJGYRBDU-NRFANRHFSA-N 1 0 366.530 4.837 50 0 FJAARO c1cc(C[NH2+]C2CCN(c3ccc(-c4cscn4)cc3)CC2)cs1 ZINC000023153530 570958041 /nfs/dbraw/zinc/95/80/41/570958041.db2.gz LCEUFYJDGHDSJP-UHFFFAOYSA-N 1 0 355.532 4.630 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC000023339502 570961903 /nfs/dbraw/zinc/96/19/03/570961903.db2.gz LIEYDEQPOBLZMT-KRWDZBQOSA-N 1 0 353.416 4.735 50 0 FJAARO c1ccc([C@@H]2C[NH2+][C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c32)cc1 ZINC000023956884 570969379 /nfs/dbraw/zinc/96/93/79/570969379.db2.gz CKQGMZMTPNSSTE-FDDCHVKYSA-N 1 0 368.436 4.721 50 0 FJAARO c1ccc([C@@H]2C[NH2+][C@@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c32)cc1 ZINC000023956881 570969501 /nfs/dbraw/zinc/96/95/01/570969501.db2.gz CKQGMZMTPNSSTE-MBSDFSHPSA-N 1 0 368.436 4.721 50 0 FJAARO CC1(C)CC(=O)C[C@@]2(C1)[NH2+]C[C@@H](c1ccccc1)c1c3ccccc3[nH]c12 ZINC000025721230 570999263 /nfs/dbraw/zinc/99/92/63/570999263.db2.gz RDUOSIUGTZVTHR-CYFREDJKSA-N 1 0 358.485 4.878 50 0 FJAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027581738 571014661 /nfs/dbraw/zinc/01/46/61/571014661.db2.gz MCUHTPGSYJOCTR-HXUWFJFHSA-N 1 0 356.897 4.605 50 0 FJAARO CCOCCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428077 571032556 /nfs/dbraw/zinc/03/25/56/571032556.db2.gz YRXPLSDUQYXZQW-UHFFFAOYSA-N 1 0 356.897 4.859 50 0 FJAARO Cc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000072280559 571034805 /nfs/dbraw/zinc/03/48/05/571034805.db2.gz XEWXZPDDAQHTGN-GOSISDBHSA-N 1 0 365.521 4.857 50 0 FJAARO FC(F)(F)[C@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000029118817 571036791 /nfs/dbraw/zinc/03/67/91/571036791.db2.gz NBSUTKVDXVVSSV-INIZCTEOSA-N 1 0 359.395 4.776 50 0 FJAARO CCSc1ccccc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038584542 571046232 /nfs/dbraw/zinc/04/62/32/571046232.db2.gz WRHOORXUOOECOY-UHFFFAOYSA-N 1 0 374.575 4.502 50 0 FJAARO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)c1cccc2ccccc21 ZINC000029488292 571051106 /nfs/dbraw/zinc/05/11/06/571051106.db2.gz KTLOUFPCYIBSBC-GAJHUEQPSA-N 1 0 358.485 4.636 50 0 FJAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3cccc(Cl)c3C)C2)cc1 ZINC000008614037 571052587 /nfs/dbraw/zinc/05/25/87/571052587.db2.gz FNZNPRYSSUBBQJ-SFHVURJKSA-N 1 0 371.912 4.600 50 0 FJAARO OC1(c2ccccn2)CC[NH+](Cc2cccc3c4ccccc4sc32)CC1 ZINC000670473301 571056308 /nfs/dbraw/zinc/05/63/08/571056308.db2.gz KWMVUCDWDNVOEK-UHFFFAOYSA-N 1 0 374.509 4.933 50 0 FJAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c(OC)c1OC ZINC000033087128 571061904 /nfs/dbraw/zinc/06/19/04/571061904.db2.gz MCIQPSSBCJNNFP-MRXNPFEDSA-N 1 0 361.507 4.891 50 0 FJAARO C[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc(-n2ccnc2)cc1 ZINC000030544931 571064456 /nfs/dbraw/zinc/06/44/56/571064456.db2.gz UFAJMTAAIKFVBG-GFCCVEGCSA-N 1 0 362.296 4.547 50 0 FJAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](C4CCC4)C3)cc2)c1 ZINC000015073531 571065618 /nfs/dbraw/zinc/06/56/18/571065618.db2.gz OGCSYCJABBUENG-IBGZPJMESA-N 1 0 364.489 4.565 50 0 FJAARO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000084017133 571066722 /nfs/dbraw/zinc/06/67/22/571066722.db2.gz YRLYYKKZKGRWGC-GOSISDBHSA-N 1 0 366.896 4.521 50 0 FJAARO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000040024054 571068653 /nfs/dbraw/zinc/06/86/53/571068653.db2.gz VPHINDRQETVFLK-UHFFFAOYSA-N 1 0 371.912 4.743 50 0 FJAARO O[C@@H](C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000040050390 571070173 /nfs/dbraw/zinc/07/01/73/571070173.db2.gz KWMNCKCOOLDATE-QAPCUYQASA-N 1 0 372.921 4.863 50 0 FJAARO [NH2+]=C1N[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(-c3ccccc3)cc2)S1 ZINC000001272999 571070270 /nfs/dbraw/zinc/07/02/70/571070270.db2.gz PHFAMCRUQQSHQC-PZJWPPBQSA-N 1 0 358.466 4.708 50 0 FJAARO O[C@@H](C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccc(Cl)cc1 ZINC000040050454 571070259 /nfs/dbraw/zinc/07/02/59/571070259.db2.gz JVVAIRMZLDCYIU-IBGZPJMESA-N 1 0 373.880 4.547 50 0 FJAARO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)C1 ZINC000040107916 571078239 /nfs/dbraw/zinc/07/82/39/571078239.db2.gz BJJPGZVZFUIYQQ-QGZVFWFLSA-N 1 0 361.489 4.581 50 0 FJAARO Cc1nc(-c2ccc(CC[NH2+]Cc3c(F)cccc3F)s2)cs1 ZINC000084275078 571080772 /nfs/dbraw/zinc/08/07/72/571080772.db2.gz XSAQTEROOSQWKU-UHFFFAOYSA-N 1 0 350.459 4.791 50 0 FJAARO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccccc1C ZINC000040720643 571092040 /nfs/dbraw/zinc/09/20/40/571092040.db2.gz CFXDYJSEMQVXPO-OAQYLSRUSA-N 1 0 372.940 4.801 50 0 FJAARO Cc1ccccc1COc1ccc2ccccc2c1CNCCC[NH+](C)C ZINC000040720101 571092381 /nfs/dbraw/zinc/09/23/81/571092381.db2.gz HPAPUTGPEWJDKN-UHFFFAOYSA-N 1 0 362.517 4.769 50 0 FJAARO CCCOc1c(C[NH2+]CCc2c[nH]c3ccccc23)cc(Cl)cc1OC ZINC000040722203 571092588 /nfs/dbraw/zinc/09/25/88/571092588.db2.gz RWOITEBILIOSIW-UHFFFAOYSA-N 1 0 372.896 4.951 50 0 FJAARO CC(C)Oc1c(Cl)cc(C[NH2+]C[C@@H](O)c2ccccc2)cc1Cl ZINC000040721121 571092762 /nfs/dbraw/zinc/09/27/62/571092762.db2.gz NWIUXVDEMULLOJ-QGZVFWFLSA-N 1 0 354.277 4.604 50 0 FJAARO OCCCCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722792 571093231 /nfs/dbraw/zinc/09/32/31/571093231.db2.gz JOBFLZIPNVCTGQ-UHFFFAOYSA-N 1 0 368.304 4.825 50 0 FJAARO CCCCCC[NH2+]Cc1cc(Br)cc(OC)c1OC(C)C ZINC000040728517 571093655 /nfs/dbraw/zinc/09/36/55/571093655.db2.gz APZYOWUVFRFABG-UHFFFAOYSA-N 1 0 358.320 4.915 50 0 FJAARO Fc1ccc(COc2ccccc2C[NH2+]Cc2ccncc2)c(Cl)c1 ZINC000040732086 571094501 /nfs/dbraw/zinc/09/45/01/571094501.db2.gz SLLRUXMXGQCSLW-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO C[C@H](c1cccs1)N(C)Cn1ncn([C@@H](C)c2ccccc2)c1=S ZINC000229547407 571094579 /nfs/dbraw/zinc/09/45/79/571094579.db2.gz FTNDAGQIEVLRBK-LSDHHAIUSA-N 1 0 358.536 4.735 50 0 FJAARO OCCCC[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040744338 571096570 /nfs/dbraw/zinc/09/65/70/571096570.db2.gz BCPPPNVQAKNODO-UHFFFAOYSA-N 1 0 372.267 4.574 50 0 FJAARO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)C2CCC(C)CC2)o1 ZINC000009388027 571107803 /nfs/dbraw/zinc/10/78/03/571107803.db2.gz RWHRFBVGVCKPRR-UHFFFAOYSA-N 1 0 366.465 4.711 50 0 FJAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)[C@H]1C ZINC000239667447 571108598 /nfs/dbraw/zinc/10/85/98/571108598.db2.gz BQDRHTAKHRGNGD-SELNLUPBSA-N 1 0 374.532 4.908 50 0 FJAARO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000012819493 571116477 /nfs/dbraw/zinc/11/64/77/571116477.db2.gz ADALEZWCSKMBQT-NRFANRHFSA-N 1 0 363.457 4.837 50 0 FJAARO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000000883713 571122516 /nfs/dbraw/zinc/12/25/16/571122516.db2.gz PDROKFHXWVCFHH-OAQYLSRUSA-N 1 0 350.506 4.587 50 0 FJAARO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1)Nc1ccccc1 ZINC000010330521 571125166 /nfs/dbraw/zinc/12/51/66/571125166.db2.gz VUNQTMOJYFSADF-QFIPXVFZSA-N 1 0 359.473 4.798 50 0 FJAARO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000058161825 571126412 /nfs/dbraw/zinc/12/64/12/571126412.db2.gz ISIHBRKYZWNOQJ-YESZJQIVSA-N 1 0 354.494 4.887 50 0 FJAARO C[C@@H](C[N@H+](C)Cc1ccccc1)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000248020293 571127331 /nfs/dbraw/zinc/12/73/31/571127331.db2.gz UNNQDXMODLDYNT-SQJMNOBHSA-N 1 0 359.513 4.885 50 0 FJAARO CCN1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248130562 571127749 /nfs/dbraw/zinc/12/77/49/571127749.db2.gz YHNFYOJPPIWTSD-JOCHJYFZSA-N 1 0 361.533 4.572 50 0 FJAARO c1ccc(Cn2nc(C[NH2+]C3CCCCCC3)c(-c3ccccc3)n2)cc1 ZINC000248134578 571127822 /nfs/dbraw/zinc/12/78/22/571127822.db2.gz YVWQVKCANIZUBE-UHFFFAOYSA-N 1 0 360.505 4.806 50 0 FJAARO CCC(C)(C)[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248231842 571128326 /nfs/dbraw/zinc/12/83/26/571128326.db2.gz ASHOZZDFFSQWSI-UHFFFAOYSA-N 1 0 368.912 4.925 50 0 FJAARO CC[C@@H](C)[NH2+]Cc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000248253823 571128544 /nfs/dbraw/zinc/12/85/44/571128544.db2.gz TWYHKURSBOXCCY-CQSZACIVSA-N 1 0 372.875 4.674 50 0 FJAARO CCCC[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248254477 571128552 /nfs/dbraw/zinc/12/85/52/571128552.db2.gz UCCKGIDLGZRPPQ-UHFFFAOYSA-N 1 0 354.885 4.537 50 0 FJAARO CC(C)C[NH2+]Cc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000248234731 571128859 /nfs/dbraw/zinc/12/88/59/571128859.db2.gz MBQLPKUJHWWPRM-UHFFFAOYSA-N 1 0 372.875 4.532 50 0 FJAARO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000012865746 571130456 /nfs/dbraw/zinc/13/04/56/571130456.db2.gz ORYWHTWXSGORLG-HXLBFEBVSA-N 1 0 371.521 4.505 50 0 FJAARO O=C(C[N@H+](CCc1ccccc1)C1CCCC1)Nc1ccccc1Cl ZINC000058299215 571130692 /nfs/dbraw/zinc/13/06/92/571130692.db2.gz ZKRHVQNYGXHGHN-UHFFFAOYSA-N 1 0 356.897 4.766 50 0 FJAARO Cc1ccc(C[n+]2cn(CCCOc3ccccc3)c3ccccc32)cc1 ZINC000252485419 571132271 /nfs/dbraw/zinc/13/22/71/571132271.db2.gz GUXZLMXOXYYSQX-UHFFFAOYSA-N 1 0 357.477 4.755 50 0 FJAARO O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000025144551 571134979 /nfs/dbraw/zinc/13/49/79/571134979.db2.gz KHOXIGNXJFLODI-MSOLQXFVSA-N 1 0 368.443 4.523 50 0 FJAARO CCOc1ccc(C[N@H+](CC)Cc2cc(=O)c3cc(Cl)ccc3[nH]2)cc1 ZINC000015862353 571138819 /nfs/dbraw/zinc/13/88/19/571138819.db2.gz LAAFLXSGVFRLNG-UHFFFAOYSA-N 1 0 370.880 4.602 50 0 FJAARO O[C@H](C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000016477461 571141740 /nfs/dbraw/zinc/14/17/40/571141740.db2.gz MJJUSDQUAMQZRG-JOCHJYFZSA-N 1 0 367.876 4.742 50 0 FJAARO Cc1cc2oc(=O)cc(C[N@H+](C)CCOc3ccccc3C)c2cc1Cl ZINC000012903646 571143297 /nfs/dbraw/zinc/14/32/97/571143297.db2.gz AYNNXJDXNYEUAT-UHFFFAOYSA-N 1 0 371.864 4.574 50 0 FJAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccsc1 ZINC000025330596 571143346 /nfs/dbraw/zinc/14/33/46/571143346.db2.gz GEXAWVDCIDANSE-MRXNPFEDSA-N 1 0 374.506 4.648 50 0 FJAARO COc1ccccc1/C=C/C[N@@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065431006 571143558 /nfs/dbraw/zinc/14/35/58/571143558.db2.gz HIANYMFZNLSGLJ-UKKYDJSUSA-N 1 0 371.484 4.655 50 0 FJAARO c1coc(-c2cc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)no2)c1 ZINC000012912244 571143953 /nfs/dbraw/zinc/14/39/53/571143953.db2.gz HQRGGSGPGVRJQI-CQSZACIVSA-N 1 0 365.458 4.924 50 0 FJAARO Cc1ccc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1C ZINC000012928404 571146495 /nfs/dbraw/zinc/14/64/95/571146495.db2.gz HTLHRZDYQYGBAA-QHCPKHFHSA-N 1 0 358.485 4.816 50 0 FJAARO [NH3+]CCCCCn1cnc(-c2ccccc2)c1-c1c[nH]nc1-c1ccccc1 ZINC000067605180 571147420 /nfs/dbraw/zinc/14/74/20/571147420.db2.gz MEJRUQGWDSYJHC-UHFFFAOYSA-N 1 0 371.488 4.736 50 0 FJAARO Cc1cc(O)cc(C)c1C[N@@H+]1CCc2onc(-c3ccc(F)c(F)c3)c2C1 ZINC000067691460 571148461 /nfs/dbraw/zinc/14/84/61/571148461.db2.gz FBHQMJLRISOQOH-UHFFFAOYSA-N 1 0 370.399 4.501 50 0 FJAARO COc1ccc(C[N@H+](Cc2cc(F)cc3cccnc32)C2CC2)c(OC)c1 ZINC000026170277 571151692 /nfs/dbraw/zinc/15/16/92/571151692.db2.gz GDWIAZVBNJAURC-UHFFFAOYSA-N 1 0 366.436 4.556 50 0 FJAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000004668312 571156200 /nfs/dbraw/zinc/15/62/00/571156200.db2.gz WWAQWSNTMGGDDV-PXNSSMCTSA-N 1 0 359.583 4.667 50 0 FJAARO COc1ccc(C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1OC ZINC000004690405 571161830 /nfs/dbraw/zinc/16/18/30/571161830.db2.gz UWIBCCJIWFUNBA-UHFFFAOYSA-N 1 0 361.485 4.949 50 0 FJAARO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)C1CCCC1 ZINC000071769317 571166312 /nfs/dbraw/zinc/16/63/12/571166312.db2.gz LAUAHIVTDOZZLW-PKTZIBPZSA-N 1 0 363.501 4.778 50 0 FJAARO C[NH+](C)CCc1[nH]c2ccccc2c1C[C@]1(c2ccccc2)CCCCC1=O ZINC000071769168 571166325 /nfs/dbraw/zinc/16/63/25/571166325.db2.gz MPINFBBHDGQIRY-VWLOTQADSA-N 1 0 374.528 4.896 50 0 FJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCC[C@](O)(c1ccccc1)c1ccccn1 ZINC000102196604 571167945 /nfs/dbraw/zinc/16/79/45/571167945.db2.gz DOMLQNJBAMPKKT-MZKRTTBSSA-N 1 0 352.522 4.751 50 0 FJAARO Cn1c2ccccc2nc1-c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)o1 ZINC000072145998 571173282 /nfs/dbraw/zinc/17/32/82/571173282.db2.gz DSRWSANXERJDNQ-HXUWFJFHSA-N 1 0 358.445 4.565 50 0 FJAARO O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccccc1C(F)(F)F ZINC000090607228 571179823 /nfs/dbraw/zinc/17/98/23/571179823.db2.gz RFUMRLZKJOLMHF-UHFFFAOYSA-N 1 0 371.362 4.767 50 0 FJAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc2ccccc2c1 ZINC000043769756 571192698 /nfs/dbraw/zinc/19/26/98/571192698.db2.gz HLNGTXVJYKEYLD-FYYLOGMGSA-N 1 0 356.469 4.596 50 0 FJAARO C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccccc1 ZINC000239432844 571196091 /nfs/dbraw/zinc/19/60/91/571196091.db2.gz WPGSJVUKSMYCJB-ZKGHJEQKSA-N 1 0 357.497 5.232 50 0 FJAARO CCCOc1ccc(C(=O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000001816656 571197107 /nfs/dbraw/zinc/19/71/07/571197107.db2.gz FFWCCKUNJDPIMI-JOCHJYFZSA-N 1 0 351.490 4.928 50 0 FJAARO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c(-c2cccc(Cl)c2)n1 ZINC000072448051 571197410 /nfs/dbraw/zinc/19/74/10/571197410.db2.gz DIVMHKACFPQCDU-HXUWFJFHSA-N 1 0 366.896 4.863 50 0 FJAARO C[N@H+](Cc1ccccc1)Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 ZINC000054105941 571199426 /nfs/dbraw/zinc/19/94/26/571199426.db2.gz RDYXMKZHLUIDJB-UHFFFAOYSA-N 1 0 371.436 4.798 50 0 FJAARO Cc1cc(=O)[nH]c(-c2ccc(-c3cccc([C@@H](C)[NH+]4CCCC4)c3)cc2)n1 ZINC000534647290 571208128 /nfs/dbraw/zinc/20/81/28/571208128.db2.gz WHUNHARUZCPQMC-QGZVFWFLSA-N 1 0 359.473 4.569 50 0 FJAARO C[C@@H]1C[C@@H](C)C[NH+](CCOCCOc2ccc(Cl)c3ccccc23)C1 ZINC000004906575 571213888 /nfs/dbraw/zinc/21/38/88/571213888.db2.gz YKVZILBGRZOAET-IAGOWNOFSA-N 1 0 361.913 4.867 50 0 FJAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2F)cc1 ZINC000077540411 571215033 /nfs/dbraw/zinc/21/50/33/571215033.db2.gz LUELDAUWANZWEM-FQEVSTJZSA-N 1 0 374.887 4.908 50 0 FJAARO CN(Cc1ccoc1)C(=O)c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000426386374 571217896 /nfs/dbraw/zinc/21/78/96/571217896.db2.gz QFHBLFLNMSUABH-UHFFFAOYSA-N 1 0 374.484 4.815 50 0 FJAARO Cc1ccc(F)cc1-c1cccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000426477872 571227346 /nfs/dbraw/zinc/22/73/46/571227346.db2.gz HGDQQLGUQNHPLR-UHFFFAOYSA-N 1 0 366.480 4.502 50 0 FJAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccccc3Cl)cc2)C1 ZINC000072280561 571231812 /nfs/dbraw/zinc/23/18/12/571231812.db2.gz KUPPQNOCUNXXEO-INIZCTEOSA-N 1 0 371.912 4.894 50 0 FJAARO CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc(-c2c[nH+]ccc2N)cc1 ZINC000426566851 571231860 /nfs/dbraw/zinc/23/18/60/571231860.db2.gz GXIJALFKAPFZSJ-JOCHJYFZSA-N 1 0 374.488 4.560 50 0 FJAARO O[C@@H](C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccc2cc[nH]c2c1 ZINC000033313922 571233011 /nfs/dbraw/zinc/23/30/11/571233011.db2.gz ULHOFZJONMZJOI-DEOSSOPVSA-N 1 0 356.469 4.904 50 0 FJAARO COCC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736138 571237140 /nfs/dbraw/zinc/23/71/40/571237140.db2.gz HQCZHZCUMJGCHZ-UHFFFAOYSA-N 1 0 355.865 4.808 50 0 FJAARO CCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OCC)c1 ZINC000040737364 571237341 /nfs/dbraw/zinc/23/73/41/571237341.db2.gz IAXGXHCQEZCCQH-UHFFFAOYSA-N 1 0 351.849 4.956 50 0 FJAARO Cc1ccc(C)c(C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C(C)C)c1 ZINC000036031944 571239147 /nfs/dbraw/zinc/23/91/47/571239147.db2.gz PWEUVQMDKXESMX-FQEVSTJZSA-N 1 0 361.913 4.607 50 0 FJAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OC(F)F ZINC000006650946 571239332 /nfs/dbraw/zinc/23/93/32/571239332.db2.gz MPIGDMBAHSPRTC-UHFFFAOYSA-N 1 0 371.855 4.864 50 0 FJAARO CCOc1ccc([C@](O)(CC)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811646 571247926 /nfs/dbraw/zinc/24/79/26/571247926.db2.gz KFUOXOPBNFCSNE-XZOQPEGZSA-N 1 0 353.506 4.563 50 0 FJAARO CSc1ccc(C[N@H+](C)Cc2c(NC(C)=O)sc3c2CCCC3)cc1 ZINC000006905503 571254145 /nfs/dbraw/zinc/25/41/45/571254145.db2.gz ICVZKJRCPUSUBC-UHFFFAOYSA-N 1 0 374.575 4.939 50 0 FJAARO C[NH+](C)C[C@@H]1CCCC[C@@H]1[C@@]1(O)c2ccsc2SCc2ccccc21 ZINC000006995946 571256668 /nfs/dbraw/zinc/25/66/68/571256668.db2.gz YKADOOIFTVIBPM-WJPUGNRLSA-N 1 0 373.587 4.958 50 0 FJAARO C[C@H](c1ccccc1)[N@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000170623434 571269149 /nfs/dbraw/zinc/26/91/49/571269149.db2.gz RVMBQMFUNIBPPN-MCMMXHMISA-N 1 0 356.318 4.794 50 0 FJAARO COc1ccccc1[C@@H](CC[NH2+]C[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000002126693 571278702 /nfs/dbraw/zinc/27/87/02/571278702.db2.gz ZJRAJVFUDNLVDK-PKOBYXMFSA-N 1 0 357.494 4.605 50 0 FJAARO FC(F)(F)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 ZINC000022860882 571308397 /nfs/dbraw/zinc/30/83/97/571308397.db2.gz AVAXCWYVNPJHNB-WOJBJXKFSA-N 1 0 366.471 4.934 50 0 FJAARO Cc1cc(-c2cccc(C(=O)N[C@@H](C)C[NH+]3CCCC3)c2)c(Cl)cc1F ZINC000584896930 571315488 /nfs/dbraw/zinc/31/54/88/571315488.db2.gz UGBXUUKZYSIYMZ-HNNXBMFYSA-N 1 0 374.887 4.669 50 0 FJAARO Cc1cc(Nc2ccc(C(=O)N3CCCCC3)cc2)c2cccc(C)c2[nH+]1 ZINC000002321515 571318068 /nfs/dbraw/zinc/31/80/68/571318068.db2.gz XPBBWUFYMMUEHS-UHFFFAOYSA-N 1 0 359.473 4.643 50 0 FJAARO CCc1ccc2oc(=O)cc(C[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000002395221 571321289 /nfs/dbraw/zinc/32/12/89/571321289.db2.gz OMCYJKAHSNCTEV-UHFFFAOYSA-N 1 0 361.485 4.810 50 0 FJAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCC4=CCCCC4)[C@H]3C=C12 ZINC000012661416 571322617 /nfs/dbraw/zinc/32/26/17/571322617.db2.gz HXYJGBLGTALODR-FEJROSIGSA-N 1 0 357.538 4.781 50 0 FJAARO Cc1sc(NC(=O)c2ccco2)c(C[N@@H+]2CCc3ccccc3C2)c1C ZINC000019879526 571327680 /nfs/dbraw/zinc/32/76/80/571327680.db2.gz XYNRXLKJQMYGDO-UHFFFAOYSA-N 1 0 366.486 4.769 50 0 FJAARO O[C@@H](C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000095353004 571328891 /nfs/dbraw/zinc/32/88/91/571328891.db2.gz OMXZPAKUEDUQIB-PZJWPPBQSA-N 1 0 371.452 4.707 50 0 FJAARO c1cc(CCC[N@@H+]2CCCN(c3nc4ccccc4s3)CC2)cs1 ZINC000020639794 571331560 /nfs/dbraw/zinc/33/15/60/571331560.db2.gz KSRMDDNRFNEGJK-UHFFFAOYSA-N 1 0 357.548 4.503 50 0 FJAARO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000095949232 571332619 /nfs/dbraw/zinc/33/26/19/571332619.db2.gz RNBSEUIBRXSCPW-GXTWGEPZSA-N 1 0 363.807 4.712 50 0 FJAARO CC(C)[C@H]([NH2+][C@@H]1CCc2c1cc(Br)cc2F)c1ccccn1 ZINC000095968208 571333166 /nfs/dbraw/zinc/33/31/66/571333166.db2.gz WNPQMUMEKDHPHG-AEFFLSMTSA-N 1 0 363.274 4.957 50 0 FJAARO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1Br)c1ccncc1 ZINC000095971804 571333264 /nfs/dbraw/zinc/33/32/64/571333264.db2.gz KFIOAVAOSBSMFM-INIZCTEOSA-N 1 0 353.691 4.984 50 0 FJAARO CCCC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000021169907 571333456 /nfs/dbraw/zinc/33/34/56/571333456.db2.gz IYKGXJOCDDWMPD-BJKOFHAPSA-N 1 0 367.533 4.953 50 0 FJAARO C[C@H]1CCCC[N@@H+]1CCNc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000021643082 571335377 /nfs/dbraw/zinc/33/53/77/571335377.db2.gz MUGHXFHHZATTDA-AWEZNQCLSA-N 1 0 370.497 4.784 50 0 FJAARO CC[C@@H]1CCCC[N@@H+]1CCn1c(=O)c2sc3ccccc3c2[n-]c1=S ZINC000002961723 571343020 /nfs/dbraw/zinc/34/30/20/571343020.db2.gz RXEIHGFQHMHMFE-CYBMUJFWSA-N 1 0 373.547 4.538 50 0 FJAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2cccs2)c2ccccc2)cc1 ZINC000057470809 571343590 /nfs/dbraw/zinc/34/35/90/571343590.db2.gz DTCOOPGRQHHQRT-OXQOHEQNSA-N 1 0 350.487 4.763 50 0 FJAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)c(C)cc23)c1 ZINC000057483946 571343695 /nfs/dbraw/zinc/34/36/95/571343695.db2.gz QOKQYPPQUAMAII-NRFANRHFSA-N 1 0 363.457 4.756 50 0 FJAARO Cc1ccc(NC(=S)NCC[N@H+](C2CCCC2)C2CCCCC2)cc1 ZINC000003055021 571344302 /nfs/dbraw/zinc/34/43/02/571344302.db2.gz FKEKLPPYILOCOD-UHFFFAOYSA-N 1 0 359.583 4.859 50 0 FJAARO Cc1cc(C)cc(NC(=S)N2CCC([N@H+](C)C3CCCCC3)CC2)c1 ZINC000003058453 571344351 /nfs/dbraw/zinc/34/43/51/571344351.db2.gz BPOWYQPYPWRWOS-UHFFFAOYSA-N 1 0 359.583 4.729 50 0 FJAARO Cc1cc(C)c(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)c(C)c1 ZINC000003058358 571344382 /nfs/dbraw/zinc/34/43/82/571344382.db2.gz UMCYMFLFEFFELD-UHFFFAOYSA-N 1 0 359.583 4.647 50 0 FJAARO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000057854133 571345664 /nfs/dbraw/zinc/34/56/64/571345664.db2.gz HXDMCKICWVCTJW-UONOGXRCSA-N 1 0 356.853 4.614 50 0 FJAARO Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000058081583 571347812 /nfs/dbraw/zinc/34/78/12/571347812.db2.gz FQVKZURGBHTZGG-INIZCTEOSA-N 1 0 360.860 4.638 50 0 FJAARO COc1cc2c(cc1NC(=O)[C@@H](C)[NH+]1CCCCCC1)oc1ccccc12 ZINC000003345478 571347956 /nfs/dbraw/zinc/34/79/56/571347956.db2.gz XAERRZVTCOBAHM-OAHLLOKOSA-N 1 0 366.461 4.798 50 0 FJAARO CCCC[N@H+](C)CCCN(Cc1ccco1)C(=S)Nc1ccccc1C ZINC000003662244 571352126 /nfs/dbraw/zinc/35/21/26/571352126.db2.gz SDTFPKLXZYWBQD-UHFFFAOYSA-N 1 0 373.566 4.909 50 0 FJAARO COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCCC2)cc1 ZINC000000756781 219319137 /nfs/dbraw/zinc/31/91/37/219319137.db2.gz UIZYQDJDVVGDAL-UHFFFAOYSA-N 1 0 370.456 4.696 50 0 FJAARO CCCC[NH+](CCCC)Cc1cn2c(nnc2-c2ccc(OC)cc2)s1 ZINC000002724091 219460081 /nfs/dbraw/zinc/46/00/81/219460081.db2.gz FHNYJZOTBFTOCK-UHFFFAOYSA-N 1 0 372.538 4.869 50 0 FJAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(C(C)C)CCO1 ZINC000004073513 219539354 /nfs/dbraw/zinc/53/93/54/219539354.db2.gz KTTAQLFNXHNCAF-VXKWHMMOSA-N 1 0 363.542 4.805 50 0 FJAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)c(C)c1 ZINC000004668302 219593789 /nfs/dbraw/zinc/59/37/89/219593789.db2.gz YYOPNVHKWFFAIH-LAUBAEHRSA-N 1 0 373.610 4.975 50 0 FJAARO CC(C)Oc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000005428443 219678337 /nfs/dbraw/zinc/67/83/37/219678337.db2.gz JOUSPQRSXYDXAG-UHFFFAOYSA-N 1 0 352.478 4.712 50 0 FJAARO C[NH+](C)CCCNc1nc(-c2cccs2)nc2sc3c(c21)CCCC3 ZINC000006084846 219712970 /nfs/dbraw/zinc/71/29/70/219712970.db2.gz CBTOFTVQIAYUKA-UHFFFAOYSA-N 1 0 372.563 4.662 50 0 FJAARO COc1ccc(CC[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)cc1OC ZINC000000977875 209384812 /nfs/dbraw/zinc/38/48/12/209384812.db2.gz GVXILTUYRLRQQA-FQEVSTJZSA-N 1 0 364.489 4.703 50 0 FJAARO COc1ccc(C[NH2+]CC[C@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000002106273 209394579 /nfs/dbraw/zinc/39/45/79/209394579.db2.gz YNIYTXHJCHUJKZ-RTBURBONSA-N 1 0 363.542 4.661 50 0 FJAARO c1ccc(Cn2c(CNc3nc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000000845785 209378293 /nfs/dbraw/zinc/37/82/93/209378293.db2.gz UOZXUZSHUJFFKO-UHFFFAOYSA-N 1 0 353.429 4.573 50 0 FJAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]CCCOc1ccccn1 ZINC000113396557 209336381 /nfs/dbraw/zinc/33/63/81/209336381.db2.gz MNOQEVMKBKYUPV-UHFFFAOYSA-N 1 0 369.292 4.734 50 0 FJAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]CCCOc1ccccn1 ZINC000113396554 209335533 /nfs/dbraw/zinc/33/55/33/209335533.db2.gz CCHSTQJSPWACSA-UHFFFAOYSA-N 1 0 350.462 4.581 50 0 FJAARO Cc1nc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)c(C)s1 ZINC000299764941 223086511 /nfs/dbraw/zinc/08/65/11/223086511.db2.gz XJOKECFGMJMGFG-BBWFWOEESA-N 1 0 366.490 4.503 50 0 FJAARO CCC[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000011709023 219929484 /nfs/dbraw/zinc/92/94/84/219929484.db2.gz ZNSZGXVSFYCRJU-HSZRJFAPSA-N 1 0 364.533 4.508 50 0 FJAARO COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccnc(C(C)C)n2)cc1 ZINC000102104328 209232218 /nfs/dbraw/zinc/23/22/18/209232218.db2.gz KAALYLYTQXRJCL-FNLKRUPLSA-N 1 0 351.494 4.519 50 0 FJAARO O=C(Nc1ccc(Br)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000013325244 220063440 /nfs/dbraw/zinc/06/34/40/220063440.db2.gz YEKOQLAMWYTEEQ-UHFFFAOYSA-N 1 0 374.282 4.689 50 0 FJAARO CCOc1ccc(Br)cc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000013725958 220091169 /nfs/dbraw/zinc/09/11/69/220091169.db2.gz AEKQOFMLLJLWQL-OAHLLOKOSA-N 1 0 362.311 4.959 50 0 FJAARO CC(C)[NH+]1CCC(Nc2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000014138807 220110156 /nfs/dbraw/zinc/11/01/56/220110156.db2.gz FDQYTNQTNKUMKQ-UHFFFAOYSA-N 1 0 352.507 4.643 50 0 FJAARO Cc1sc2[nH]c([C@@H](C)[NH2+][C@H](C)c3cc(C)ccc3C)nc(=O)c2c1C ZINC000014233867 220118847 /nfs/dbraw/zinc/11/88/47/220118847.db2.gz KVZOMRKOXNTJCW-ZIAGYGMSSA-N 1 0 355.507 4.630 50 0 FJAARO CC[N@@H+](Cc1ccsc1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000014959864 220137447 /nfs/dbraw/zinc/13/74/47/220137447.db2.gz SUWSUGLRDCFDDU-LJQANCHMSA-N 1 0 360.542 4.664 50 0 FJAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1OCC ZINC000015836980 220167663 /nfs/dbraw/zinc/16/76/63/220167663.db2.gz FYCIUZHZIHZQHI-FQEVSTJZSA-N 1 0 355.478 4.830 50 0 FJAARO Cc1ccc(C)c2c(=O)cc(C[N@H+](Cc3ccc(F)cc3)CC(C)C)[nH]c12 ZINC000015862272 220169473 /nfs/dbraw/zinc/16/94/73/220169473.db2.gz ADGYAWVBQACGAD-UHFFFAOYSA-N 1 0 366.480 4.942 50 0 FJAARO C[C@@H]1C[N@@H+](CCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000016247828 220181190 /nfs/dbraw/zinc/18/11/90/220181190.db2.gz PKOPFZIVQYDYGY-BGYRXZFFSA-N 1 0 367.533 4.891 50 0 FJAARO CCC[NH+]1CCC(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000016579867 220188018 /nfs/dbraw/zinc/18/80/18/220188018.db2.gz IUFTYRMAVURPDU-NRFANRHFSA-N 1 0 368.546 4.511 50 0 FJAARO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000017311196 220213989 /nfs/dbraw/zinc/21/39/89/220213989.db2.gz NCDNQCQLJMZYPG-XMSQKQJNSA-N 1 0 360.505 4.662 50 0 FJAARO COc1ccc(C(=O)Nc2sc(C)c(C)c2C[NH+]2CCC(C)CC2)cc1 ZINC000001236117 206871427 /nfs/dbraw/zinc/87/14/27/206871427.db2.gz PENPMWDLKCCVBP-UHFFFAOYSA-N 1 0 372.534 4.858 50 0 FJAARO Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CC[NH2+]C[C@H]1CC=CCC1 ZINC000002192238 206904520 /nfs/dbraw/zinc/90/45/20/206904520.db2.gz NGINITOKUQXUHX-AWEZNQCLSA-N 1 0 352.400 4.863 50 0 FJAARO CCOc1ccc(/C=C/C2=[N+](C)c3ccc(C(=O)OC)cc3C2(C)C)cc1 ZINC000004313479 207012809 /nfs/dbraw/zinc/01/28/09/207012809.db2.gz MDUVMUXJYCGCAP-NTEUORMPSA-N 1 0 364.465 4.591 50 0 FJAARO O=C(Nc1csc2ccccc12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004333448 207013307 /nfs/dbraw/zinc/01/33/07/207013307.db2.gz SSIWESSMTNRQRI-UHFFFAOYSA-N 1 0 365.502 4.687 50 0 FJAARO COc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccc(Cl)cc1 ZINC000004450519 207020421 /nfs/dbraw/zinc/02/04/21/207020421.db2.gz XLCKDKVJHVYWNH-UHFFFAOYSA-N 1 0 368.864 4.612 50 0 FJAARO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](C1CCCCC1)[NH2+]C2 ZINC000004622215 207032175 /nfs/dbraw/zinc/03/21/75/207032175.db2.gz DATWQWIQCMIEAA-QFIPXVFZSA-N 1 0 354.494 4.999 50 0 FJAARO Cc1cccc(C)c1NC(=S)N1CCC([N@@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000004668298 207035364 /nfs/dbraw/zinc/03/53/64/207035364.db2.gz RYBGAQLHHAIQKB-JXFKEZNVSA-N 1 0 373.610 4.975 50 0 FJAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000004725502 207041297 /nfs/dbraw/zinc/04/12/97/207041297.db2.gz AMYVUKTZAGQPCX-UHFFFAOYSA-N 1 0 370.924 4.601 50 0 FJAARO COc1cc(C[N@H+](C)CCc2ccccc2)ccc1OCc1ccccc1 ZINC000004989083 207069482 /nfs/dbraw/zinc/06/94/82/207069482.db2.gz YYDFKGJINPKQQQ-UHFFFAOYSA-N 1 0 361.485 4.949 50 0 FJAARO CC[C@@H](C)[NH2+]C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000005061680 207077313 /nfs/dbraw/zinc/07/73/13/207077313.db2.gz CRSBMRJNJIXPFW-DOMZBBRYSA-N 1 0 365.304 4.850 50 0 FJAARO COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1Cc1ccccc1F ZINC000005151101 207085191 /nfs/dbraw/zinc/08/51/91/207085191.db2.gz KDSGEFWXLQJWCW-PTUXOGIPSA-N 1 0 369.480 4.703 50 0 FJAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005450632 207100843 /nfs/dbraw/zinc/10/08/43/207100843.db2.gz FRNPSEGBBXQWFB-SFHVURJKSA-N 1 0 362.395 4.871 50 0 FJAARO CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C)cc3C)c(=[NH2+])oc2c1 ZINC000006517601 207143264 /nfs/dbraw/zinc/14/32/64/207143264.db2.gz SAOFTHMAWXKAET-UHFFFAOYSA-N 1 0 363.461 4.628 50 0 FJAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc2ccccc2c1 ZINC000006721909 207158008 /nfs/dbraw/zinc/15/80/08/207158008.db2.gz HLNGTXVJYKEYLD-GGAORHGYSA-N 1 0 356.469 4.596 50 0 FJAARO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2ccccc2)c1 ZINC000006788146 207165176 /nfs/dbraw/zinc/16/51/76/207165176.db2.gz VULRBYOUIRKCHY-UHFFFAOYSA-N 1 0 359.498 4.950 50 0 FJAARO COc1cccc([C@H]2C[NH2+]C3(CCCC3)c3[nH]c4ccccc4c32)c1OC ZINC000006941381 207179912 /nfs/dbraw/zinc/17/99/12/207179912.db2.gz WEOGMGPWXZEBBC-QGZVFWFLSA-N 1 0 362.473 4.690 50 0 FJAARO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007039373 207183839 /nfs/dbraw/zinc/18/38/39/207183839.db2.gz RNQJFOKUSFRFHP-FDDCHVKYSA-N 1 0 373.500 4.856 50 0 FJAARO COc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2F)cc1 ZINC000007538352 207197838 /nfs/dbraw/zinc/19/78/38/207197838.db2.gz AJOVHPFOZIBIMU-UHFFFAOYSA-N 1 0 351.421 4.703 50 0 FJAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000008325962 207228299 /nfs/dbraw/zinc/22/82/99/207228299.db2.gz PFJDDMRUVXAYMG-CYBMUJFWSA-N 1 0 351.849 4.955 50 0 FJAARO C[NH+](C)CCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008373890 207231773 /nfs/dbraw/zinc/23/17/73/207231773.db2.gz XHYJEKPUGDSRHS-UHFFFAOYSA-N 1 0 367.320 4.614 50 0 FJAARO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2F)cc1 ZINC000008474543 207233742 /nfs/dbraw/zinc/23/37/42/207233742.db2.gz ALAWIJYMADMZPE-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO COc1cccc(C[NH2+]CCc2ccccc2)c1OCc1ccc(F)cc1 ZINC000008495382 207235532 /nfs/dbraw/zinc/23/55/32/207235532.db2.gz RPGGNFUYOIKXRD-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010978717 207308312 /nfs/dbraw/zinc/30/83/12/207308312.db2.gz HULAJHHSRQFALL-SFHVURJKSA-N 1 0 366.505 4.562 50 0 FJAARO CCOc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1Br ZINC000010475274 207302408 /nfs/dbraw/zinc/30/24/08/207302408.db2.gz RZAJRBXBNGDFJK-UHFFFAOYSA-N 1 0 373.294 4.661 50 0 FJAARO OCC1(Cc2ccccc2)CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000011772550 207322567 /nfs/dbraw/zinc/32/25/67/207322567.db2.gz IBGLYSHAMXHPKN-UHFFFAOYSA-N 1 0 363.423 4.523 50 0 FJAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000011932788 207328805 /nfs/dbraw/zinc/32/88/05/207328805.db2.gz BFNCJFCJEVWVBC-IBGZPJMESA-N 1 0 366.505 4.669 50 0 FJAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)cc1 ZINC000012154651 207343726 /nfs/dbraw/zinc/34/37/26/207343726.db2.gz GVGUBYJKLHGXNO-HXUWFJFHSA-N 1 0 361.489 4.773 50 0 FJAARO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000012193129 207346982 /nfs/dbraw/zinc/34/69/82/207346982.db2.gz IZNBFTLAGAWFNC-GOSISDBHSA-N 1 0 373.452 4.663 50 0 FJAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+](CC1CC1)C[C@H]1CCCO1 ZINC000012111821 207338246 /nfs/dbraw/zinc/33/82/46/207338246.db2.gz NIAHWNOEAGWTLP-GOSISDBHSA-N 1 0 360.885 4.694 50 0 FJAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+](CC1CC1)C[C@@H]1CCCO1 ZINC000012111820 207338705 /nfs/dbraw/zinc/33/87/05/207338705.db2.gz NIAHWNOEAGWTLP-SFHVURJKSA-N 1 0 360.885 4.694 50 0 FJAARO C/C=C(\C)C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000012320490 207361250 /nfs/dbraw/zinc/36/12/50/207361250.db2.gz AMDLWSWKFAGPFB-PKJWAPKXSA-N 1 0 365.477 4.633 50 0 FJAARO COc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1 ZINC000012432815 207376916 /nfs/dbraw/zinc/37/69/16/207376916.db2.gz MBBLBSGLARPTMP-JOCHJYFZSA-N 1 0 361.489 4.665 50 0 FJAARO Cc1c([C@H](C)[NH2+]Cc2c(C)n(C)c3ccccc23)cnn1-c1ccccc1 ZINC000012435042 207377252 /nfs/dbraw/zinc/37/72/52/207377252.db2.gz JFVYMMDWFKSKLR-INIZCTEOSA-N 1 0 358.489 4.832 50 0 FJAARO CCn1c2ccccc2c2cc(C[NH2+]Cc3nc4ccccc4n3C)ccc21 ZINC000012579928 207395723 /nfs/dbraw/zinc/39/57/23/207395723.db2.gz CFSYVTSXVHQMGA-UHFFFAOYSA-N 1 0 368.484 4.991 50 0 FJAARO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1cc(F)ccc1F ZINC000012997274 207445393 /nfs/dbraw/zinc/44/53/93/207445393.db2.gz QDNXSCPPJLPWLD-KBPBESRZSA-N 1 0 354.400 4.796 50 0 FJAARO CCOc1c(Cl)cc(C[NH2+]CCc2ccccc2OC)cc1Cl ZINC000013719396 207477924 /nfs/dbraw/zinc/47/79/24/207477924.db2.gz DHPKWFZBOIBLEQ-UHFFFAOYSA-N 1 0 354.277 4.733 50 0 FJAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2csc(Br)c2)cc1 ZINC000030640184 208003216 /nfs/dbraw/zinc/00/32/16/208003216.db2.gz PHROUQPIJWRNEH-LLVKDONJSA-N 1 0 367.312 4.710 50 0 FJAARO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)oc2c(C)cc(C)cc12 ZINC000033018757 208066846 /nfs/dbraw/zinc/06/68/46/208066846.db2.gz IJKKNLUKXVOCOJ-UHFFFAOYSA-N 1 0 365.473 4.831 50 0 FJAARO CCC[C@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccc(F)cc1 ZINC000035840557 208137852 /nfs/dbraw/zinc/13/78/52/208137852.db2.gz NHOVKKBUOUTGNN-QFIPXVFZSA-N 1 0 360.517 4.685 50 0 FJAARO CCC[C@@H]1C[N@H+](CCCc2ccc(COc3ccccc3)cc2)CCO1 ZINC000034578335 208104957 /nfs/dbraw/zinc/10/49/57/208104957.db2.gz AIBGFONRBUKNGN-HSZRJFAPSA-N 1 0 353.506 4.699 50 0 FJAARO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)C[C@H](O)c1ccccc1 ZINC000035287169 208120878 /nfs/dbraw/zinc/12/08/78/208120878.db2.gz BJUMGNUGYMALPB-MBSDFSHPSA-N 1 0 374.484 4.665 50 0 FJAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)Cc1ccccc1Cl ZINC000040069041 208222074 /nfs/dbraw/zinc/22/20/74/208222074.db2.gz QKPZEVSLSXJFLO-UHFFFAOYSA-N 1 0 373.928 4.523 50 0 FJAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+][C@@H](C)c3ccccc3)c2)cc1 ZINC000040739064 208264794 /nfs/dbraw/zinc/26/47/94/208264794.db2.gz HOZDDIDBSJFELU-IBGZPJMESA-N 1 0 374.484 4.863 50 0 FJAARO Cc1ccc(C[NH2+]Cc2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000040732859 208265222 /nfs/dbraw/zinc/26/52/22/208265222.db2.gz YIWRXHZYIXVZNG-UHFFFAOYSA-N 1 0 374.484 4.611 50 0 FJAARO CCCCOCCC[NH2+]Cc1ccc(OC(C)C)c(Br)c1 ZINC000040730976 208265550 /nfs/dbraw/zinc/26/55/50/208265550.db2.gz BTTMXFDIAPWYQR-UHFFFAOYSA-N 1 0 358.320 4.533 50 0 FJAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000040732752 208265814 /nfs/dbraw/zinc/26/58/14/208265814.db2.gz OFGHLUNRYMOYGV-LJQANCHMSA-N 1 0 374.484 4.863 50 0 FJAARO CCOc1cc(C[NH2+]C)cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000040742041 208266103 /nfs/dbraw/zinc/26/61/03/208266103.db2.gz DNFCZVPTJZWWNH-UHFFFAOYSA-N 1 0 358.240 4.830 50 0 FJAARO Brc1ccc(OCCC2CC[NH2+]CC2)c(-c2ccccc2)c1 ZINC000042770674 208296050 /nfs/dbraw/zinc/29/60/50/208296050.db2.gz QVRCWAVIZZTOJF-UHFFFAOYSA-N 1 0 360.295 4.885 50 0 FJAARO CN1CC[NH+]([C@H]2Cc3ccccc3Sc3cccc(C4CC4)c32)CC1 ZINC000019802372 220298788 /nfs/dbraw/zinc/29/87/88/220298788.db2.gz QGLAZEQEBKZSQP-IBGZPJMESA-N 1 0 350.531 4.560 50 0 FJAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3cccc(C(F)(F)F)c3)c2c1 ZINC000019848529 220301947 /nfs/dbraw/zinc/30/19/47/220301947.db2.gz JMANQSZLPQVTAI-UHFFFAOYSA-N 1 0 362.395 4.836 50 0 FJAARO O[C@@](C[NH2+]Cc1ccc(Cl)cc1)(c1ccccc1)c1ccc(F)cc1 ZINC000020365944 220324223 /nfs/dbraw/zinc/32/42/23/220324223.db2.gz TXZHGHRBIZLEKV-NRFANRHFSA-N 1 0 355.840 4.505 50 0 FJAARO c1nn(-c2ccccn2)c2c1[C@H]([NH2+]Cc1cc3ccccc3s1)CCC2 ZINC000020860311 220342826 /nfs/dbraw/zinc/34/28/26/220342826.db2.gz UBQFOTFQWWJJSE-GOSISDBHSA-N 1 0 360.486 4.649 50 0 FJAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000020874178 220344324 /nfs/dbraw/zinc/34/43/24/220344324.db2.gz MAURZQKTSQYHTB-NRFANRHFSA-N 1 0 361.485 4.996 50 0 FJAARO CCCCOCCC[NH2+]Cc1ccc(OCCC)c(Br)c1 ZINC000020926129 220345376 /nfs/dbraw/zinc/34/53/76/220345376.db2.gz IVIFKJLVWHXJAZ-UHFFFAOYSA-N 1 0 358.320 4.534 50 0 FJAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(OC(C)C)c(OC)c1 ZINC000021720872 220365278 /nfs/dbraw/zinc/36/52/78/220365278.db2.gz BVVORYJYADBAOL-KRWDZBQOSA-N 1 0 358.482 4.678 50 0 FJAARO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccccc1 ZINC000022074423 220376741 /nfs/dbraw/zinc/37/67/41/220376741.db2.gz YAIMOOMDKVIYAV-UHFFFAOYSA-N 1 0 365.448 4.746 50 0 FJAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)cc1OC ZINC000022076531 220377465 /nfs/dbraw/zinc/37/74/65/220377465.db2.gz XZJPBDIBTOIXFZ-UHFFFAOYSA-N 1 0 371.864 4.950 50 0 FJAARO COc1cc(C[NH2+][C@@H](C)c2cccc3ccccc32)cc(OC)c1OC ZINC000022787559 220398839 /nfs/dbraw/zinc/39/88/39/220398839.db2.gz VSKIWRVDYAAUNU-HNNXBMFYSA-N 1 0 351.446 4.716 50 0 FJAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000027584055 220539522 /nfs/dbraw/zinc/53/95/22/220539522.db2.gz QDRVEOKRDVSDHC-QGZVFWFLSA-N 1 0 362.926 4.749 50 0 FJAARO COc1ccc(CC[NH2+]Cc2ccc(OCc3cccc(C)c3)cc2)cc1 ZINC000040722642 220918742 /nfs/dbraw/zinc/91/87/42/220918742.db2.gz LHVJMQRHTCEIGU-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO CCCCCC[NH2+]Cc1cccc(OCC(=O)Nc2ccc(C)cc2)c1 ZINC000040739098 220919901 /nfs/dbraw/zinc/91/99/01/220919901.db2.gz QZEADISLUMIVPP-UHFFFAOYSA-N 1 0 354.494 4.682 50 0 FJAARO c1ncn(C2CC2)c1C[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000092028926 209013094 /nfs/dbraw/zinc/01/30/94/209013094.db2.gz IYCQVWNOCMXZBV-UHFFFAOYSA-N 1 0 357.501 4.800 50 0 FJAARO Brc1cc(Cc2ccccc2)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042770224 220941904 /nfs/dbraw/zinc/94/19/04/220941904.db2.gz QMKNLDRPIASSGQ-KRWDZBQOSA-N 1 0 374.322 4.808 50 0 FJAARO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)CC3 ZINC000095466066 209054823 /nfs/dbraw/zinc/05/48/23/209054823.db2.gz SMFROKVGBGFDGB-QGZVFWFLSA-N 1 0 357.457 4.778 50 0 FJAARO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000048290929 221005146 /nfs/dbraw/zinc/00/51/46/221005146.db2.gz ZBJGOSXLDCIFGY-FQEVSTJZSA-N 1 0 366.436 4.696 50 0 FJAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1 ZINC000057322912 221086804 /nfs/dbraw/zinc/08/68/04/221086804.db2.gz 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ZINC000023159498 132908228 /nfs/dbraw/zinc/90/82/28/132908228.db2.gz RAZJUKSAAFNBQG-UHFFFAOYSA-N 1 0 371.528 4.858 50 0 FJAARO CC(=O)c1ccc(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000038398080 136118846 /nfs/dbraw/zinc/11/88/46/136118846.db2.gz XDSCBPMKKACNNJ-UHFFFAOYSA-N 1 0 368.480 4.781 50 0 FJAARO FC(F)(F)c1cccc(N2CC[NH+](C3=Cc4ccccc4CC3)CC2)c1 ZINC000055145711 136126103 /nfs/dbraw/zinc/12/61/03/136126103.db2.gz VSVAJGSZITVCQV-UHFFFAOYSA-N 1 0 358.407 4.815 50 0 FJAARO CCCCOc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055292274 136126415 /nfs/dbraw/zinc/12/64/15/136126415.db2.gz CALFGIRIPVFEOJ-UHFFFAOYSA-N 1 0 358.913 4.841 50 0 FJAARO c1ccc(-c2cccc(N3CCC([NH2+]CCc4cccnc4)CC3)c2)cc1 ZINC000023380467 136152717 /nfs/dbraw/zinc/15/27/17/136152717.db2.gz UPWSBQOYEZJKKL-UHFFFAOYSA-N 1 0 357.501 4.550 50 0 FJAARO CCC(=O)NCc1ccccc1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000096130759 222037320 /nfs/dbraw/zinc/03/73/20/222037320.db2.gz FDJYYFFDBLRHPD-SFHVURJKSA-N 1 0 350.506 4.927 50 0 FJAARO O=C(NCCC[NH+]1CCCCCC1)c1occc1CSc1ccccc1 ZINC000097028035 222153012 /nfs/dbraw/zinc/15/30/12/222153012.db2.gz MRJIUITVVOGORP-UHFFFAOYSA-N 1 0 372.534 4.568 50 0 FJAARO CC(C)(C)[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc2ccccc2o1 ZINC000097049257 222155231 /nfs/dbraw/zinc/15/52/31/222155231.db2.gz QWSFVUGUVVJQFH-NRFANRHFSA-N 1 0 366.509 4.670 50 0 FJAARO Cc1cccc(COc2cccc(C[NH2+]CCCOc3ccccn3)c2)c1 ZINC000113396702 222494517 /nfs/dbraw/zinc/49/45/17/222494517.db2.gz HWYZPMWOAUBHLW-UHFFFAOYSA-N 1 0 362.473 4.528 50 0 FJAARO Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000169691356 222568894 /nfs/dbraw/zinc/56/88/94/222568894.db2.gz SQBIWQXZWMPRCU-YVHKJVDXSA-N 1 0 350.506 4.961 50 0 FJAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1Cl ZINC000000641646 263141226 /nfs/dbraw/zinc/14/12/26/263141226.db2.gz KWZHWERPWGLLTG-ZDUSSCGKSA-N 1 0 352.261 4.671 50 0 FJAARO C[C@H](CCN(C)C(=O)c1ccc(-c2cc(F)ccc2F)cc1)[NH+]1CCCC1 ZINC000426430974 263588105 /nfs/dbraw/zinc/58/81/05/263588105.db2.gz FULMQULGMKSHTB-MRXNPFEDSA-N 1 0 372.459 4.578 50 0 FJAARO CCC[NH2+]Cc1cc(Br)c(OCCC)c(Br)c1 ZINC000020926799 519941524 /nfs/dbraw/zinc/94/15/24/519941524.db2.gz FRSTVMMSPYZKES-UHFFFAOYSA-N 1 0 365.109 4.500 50 0 FJAARO CCCCCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1CC ZINC000239347279 520135860 /nfs/dbraw/zinc/13/58/60/520135860.db2.gz MPYSXPHSCSBUPX-VPBXCIAMSA-N 1 0 365.561 6.190 50 0 FJAARO CCCOc1c(C[NH2+]C2CCCCC2)cc(Br)cc1OC ZINC000020934041 520292252 /nfs/dbraw/zinc/29/22/52/520292252.db2.gz LUGPIEPKZIGDSB-UHFFFAOYSA-N 1 0 356.304 4.669 50 0 FJAARO CCOC(=O)CCCCCCC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000043210881 520624785 /nfs/dbraw/zinc/62/47/85/520624785.db2.gz HYXYDIGTCGYUQT-UHFFFAOYSA-N 1 0 359.510 4.759 50 0 FJAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000019796846 521658730 /nfs/dbraw/zinc/65/87/30/521658730.db2.gz SYNLLDGNRQTWFC-AWEZNQCLSA-N 1 0 353.293 4.827 50 0 FJAARO CN(C)CC[NH2+]CC[C@H](Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000020588734 521789131 /nfs/dbraw/zinc/78/91/31/521789131.db2.gz PZBWXTCPMCQDAJ-QGZVFWFLSA-N 1 0 365.348 4.861 50 0 FJAARO COc1cc(C)c(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1C ZINC000239339020 522194992 /nfs/dbraw/zinc/19/49/92/522194992.db2.gz LPDWVKCSVCIFOF-JTHBVZDNSA-N 1 0 356.554 4.541 50 0 FJAARO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)C3=C[C@H]21 ZINC000248195155 524260347 /nfs/dbraw/zinc/26/03/47/524260347.db2.gz ORYWHTWXSGORLG-ZAXWGQPQSA-N 1 0 371.521 4.505 50 0 FJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)c(C)c3)CC2)c1 ZINC000020889770 524385925 /nfs/dbraw/zinc/38/59/25/524385925.db2.gz PLFXZIMLFVCZRY-UHFFFAOYSA-N 1 0 365.521 4.646 50 0 FJAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000078282212 524389063 /nfs/dbraw/zinc/38/90/63/524389063.db2.gz LYLIMNXRRNEDBX-KBPBESRZSA-N 1 0 361.283 4.517 50 0 FJAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000020889680 525136022 /nfs/dbraw/zinc/13/60/22/525136022.db2.gz 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ZINC000019913528 527622160 /nfs/dbraw/zinc/62/21/60/527622160.db2.gz JTDGKKYLYJREMC-UHFFFAOYSA-N 1 0 360.929 4.559 50 0 FJAARO Fc1ccccc1OC[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000215020710 568042472 /nfs/dbraw/zinc/04/24/72/568042472.db2.gz BNIATXQAOOWUQZ-OAHLLOKOSA-N 1 0 365.395 4.718 50 0 FJAARO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000216184770 568110535 /nfs/dbraw/zinc/11/05/35/568110535.db2.gz ZPNSOHUNLGXFFF-CVEARBPZSA-N 1 0 357.448 4.891 50 0 FJAARO Cc1nc(CC2CC[NH+](Cc3cccc(-c4ccccc4C)c3)CC2)no1 ZINC000216267382 568115567 /nfs/dbraw/zinc/11/55/67/568115567.db2.gz ISPHOKJSPSBWCR-UHFFFAOYSA-N 1 0 361.489 4.808 50 0 FJAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)c(OC)c1OC ZINC000022783255 568308863 /nfs/dbraw/zinc/30/88/63/568308863.db2.gz YMPWZVGFYMYOBC-NSHDSACASA-N 1 0 370.276 4.870 50 0 FJAARO CC(C)c1nc(CN(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC000095358819 570453485 /nfs/dbraw/zinc/45/34/85/570453485.db2.gz UKJHXERCHRFHBE-UHFFFAOYSA-N 1 0 371.550 4.525 50 0 FJAARO CCN(Cc1c(F)cccc1Cl)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095377876 570457901 /nfs/dbraw/zinc/45/79/01/570457901.db2.gz UYUYPNXKRVKVOU-KRWDZBQOSA-N 1 0 374.887 4.608 50 0 FJAARO CN(C(=O)OCc1ccccc1)[C@H](C[NH+]1CCCC1)c1ccccc1Cl ZINC000002580969 570525520 /nfs/dbraw/zinc/52/55/20/570525520.db2.gz CWZVLSCPBKADAJ-HXUWFJFHSA-N 1 0 372.896 4.746 50 0 FJAARO CC(C)CC(=O)N(c1ccccc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000034682517 570531711 /nfs/dbraw/zinc/53/17/11/570531711.db2.gz VCFBSOVLOFCDIV-UHFFFAOYSA-N 1 0 356.535 4.792 50 0 FJAARO CCc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034683076 570532274 /nfs/dbraw/zinc/53/22/74/570532274.db2.gz ZHELRQOANYEMAT-UHFFFAOYSA-N 1 0 370.562 4.964 50 0 FJAARO COc1cc(C[NH2+]C2CCCC2)c(Br)cc1OC1CCCC1 ZINC000002861321 570539534 /nfs/dbraw/zinc/53/95/34/570539534.db2.gz OQVAJQUCTXKXMW-UHFFFAOYSA-N 1 0 368.315 4.811 50 0 FJAARO Cc1ccc(COc2cccc(C[NH2+]CCCOc3ccccn3)c2)cc1 ZINC000113397051 570543996 /nfs/dbraw/zinc/54/39/96/570543996.db2.gz 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ZINC000004855356 570610803 /nfs/dbraw/zinc/61/08/03/570610803.db2.gz MKNFGGSMWLHCFH-UHFFFAOYSA-N 1 0 358.489 4.614 50 0 FJAARO CC(C)CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccoc1 ZINC000252549441 570623754 /nfs/dbraw/zinc/62/37/54/570623754.db2.gz RFIHHSWCFBYHHU-COPCDDAFSA-N 1 0 355.526 4.652 50 0 FJAARO Cc1sc(Cl)nc1C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000253420813 570626124 /nfs/dbraw/zinc/62/61/24/570626124.db2.gz MBHVMFMDZBZLLL-UHFFFAOYSA-N 1 0 372.881 4.557 50 0 FJAARO COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000005231480 570638175 /nfs/dbraw/zinc/63/81/75/570638175.db2.gz PZYKMCZWXPLMTD-HSZRJFAPSA-N 1 0 353.506 4.702 50 0 FJAARO CCCCOc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000005268992 570644081 /nfs/dbraw/zinc/64/40/81/570644081.db2.gz HYVACMNSZNKGJN-QGZVFWFLSA-N 1 0 363.461 4.542 50 0 FJAARO CCCCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000007261254 570662080 /nfs/dbraw/zinc/66/20/80/570662080.db2.gz KHWUIKKATKSRBA-UHFFFAOYSA-N 1 0 365.109 4.500 50 0 FJAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1ccccc1F ZINC000008472295 570682533 /nfs/dbraw/zinc/68/25/33/570682533.db2.gz RFFRHPDNLZKSCQ-UHFFFAOYSA-N 1 0 369.411 4.842 50 0 FJAARO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000009062704 570691340 /nfs/dbraw/zinc/69/13/40/570691340.db2.gz AZUITMGVZNLBIV-GOSISDBHSA-N 1 0 368.496 4.532 50 0 FJAARO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000009062705 570691424 /nfs/dbraw/zinc/69/14/24/570691424.db2.gz AZUITMGVZNLBIV-SFHVURJKSA-N 1 0 368.496 4.532 50 0 FJAARO CCOc1c(C[NH2+][C@H](C)c2ccccc2)cc(Br)cc1OC ZINC000010473877 570701292 /nfs/dbraw/zinc/70/12/92/570701292.db2.gz HUEQFQABOOYJNP-CYBMUJFWSA-N 1 0 364.283 4.707 50 0 FJAARO C[N@@H+]1C[C@H](C(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)C1 ZINC000229878601 570702215 /nfs/dbraw/zinc/70/22/15/570702215.db2.gz AHZUCLYTAPMAGO-IRXDYDNUSA-N 1 0 367.798 4.887 50 0 FJAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)n1 ZINC000011821049 570708649 /nfs/dbraw/zinc/70/86/49/570708649.db2.gz PFXZMWWSACIWJI-IBGZPJMESA-N 1 0 350.506 4.782 50 0 FJAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000011932787 570711187 /nfs/dbraw/zinc/71/11/87/570711187.db2.gz BFNCJFCJEVWVBC-LJQANCHMSA-N 1 0 366.505 4.669 50 0 FJAARO Cc1nn(C)cc1C[NH2+]Cc1cc2cc(C)ccc2nc1-c1ccc(F)cc1 ZINC000012154646 570723946 /nfs/dbraw/zinc/72/39/46/570723946.db2.gz XVLRBQNUODXMII-UHFFFAOYSA-N 1 0 374.463 4.681 50 0 FJAARO Cc1nn(C(C)C)c(C)c1C[NH2+][C@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000012197162 570726294 /nfs/dbraw/zinc/72/62/94/570726294.db2.gz BKWGVHIZABJING-CQSZACIVSA-N 1 0 369.488 4.565 50 0 FJAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H]([NH2+]Cc2ccsc2)C1 ZINC000012455873 570747146 /nfs/dbraw/zinc/74/71/46/570747146.db2.gz KQIOSOZPMKCJSN-GOSISDBHSA-N 1 0 355.482 4.876 50 0 FJAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(O)c2)cnn1-c1cccc2ccccc21 ZINC000012468408 570748003 /nfs/dbraw/zinc/74/80/03/570748003.db2.gz DEPZZGYRLLWCHC-MRXNPFEDSA-N 1 0 357.457 4.890 50 0 FJAARO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000017309597 570748916 /nfs/dbraw/zinc/74/89/16/570748916.db2.gz WFOYAGOPHNTAMD-GOSISDBHSA-N 1 0 354.457 4.785 50 0 FJAARO OC[C@@]1(Cc2ccccc2F)CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000012711697 570757948 /nfs/dbraw/zinc/75/79/48/570757948.db2.gz MQQBIQQOMXLLKM-XMMPIXPASA-N 1 0 363.476 4.796 50 0 FJAARO COCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013722192 570786836 /nfs/dbraw/zinc/78/68/36/570786836.db2.gz ABJIXXCXFYFCTQ-UHFFFAOYSA-N 1 0 354.277 4.699 50 0 FJAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1c(F)cccc1Cl ZINC000006882538 570787438 /nfs/dbraw/zinc/78/74/38/570787438.db2.gz BBFYWWWPFGQJRD-UHFFFAOYSA-N 1 0 351.849 4.955 50 0 FJAARO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccccc1F ZINC000006883544 570787509 /nfs/dbraw/zinc/78/75/09/570787509.db2.gz IQRHSBWEJVZZMO-UHFFFAOYSA-N 1 0 351.849 4.812 50 0 FJAARO CC[NH+](CC)CCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000013734112 570788424 /nfs/dbraw/zinc/78/84/24/570788424.db2.gz PHGSGQFYSZQGSU-UHFFFAOYSA-N 1 0 360.929 4.741 50 0 FJAARO COCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008469108 570795968 /nfs/dbraw/zinc/79/59/68/570795968.db2.gz XPXPREJJMXJAEL-UHFFFAOYSA-N 1 0 374.695 4.962 50 0 FJAARO Cc1sc2[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000014137089 570807968 /nfs/dbraw/zinc/80/79/68/570807968.db2.gz BQKLUWSPPHHPNO-WDEREUQCSA-N 1 0 361.898 4.667 50 0 FJAARO Cc1ccc(-c2ccsc2C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000032800824 570808066 /nfs/dbraw/zinc/80/80/66/570808066.db2.gz CFLGZKLZCPSPFH-SFHVURJKSA-N 1 0 370.543 4.818 50 0 FJAARO CC(C)[N@@H+]1C[C@H](C)[C@@](OC(=O)c2ccccc2)(c2ccccc2)C[C@H]1C ZINC000165231983 570825029 /nfs/dbraw/zinc/82/50/29/570825029.db2.gz ISISUCXOWWQKPO-YCRNBWNJSA-N 1 0 351.490 4.878 50 0 FJAARO Cc1ccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)[NH+](C)C)cc1 ZINC000015859870 570845991 /nfs/dbraw/zinc/84/59/91/570845991.db2.gz MPHIGBJTUNGGCB-INIZCTEOSA-N 1 0 372.921 4.896 50 0 FJAARO Fc1ccccc1C[n+]1c2cc(C(F)(F)F)ccc2n2c1CCCCC2 ZINC000015953015 570848363 /nfs/dbraw/zinc/84/83/63/570848363.db2.gz WMNKRROCQZPUEU-UHFFFAOYSA-N 1 0 363.378 4.861 50 0 FJAARO Clc1ccc(COc2ccc(C[NH2+]C[C@H]3CCCO3)cc2)c(Cl)c1 ZINC000016401557 570855849 /nfs/dbraw/zinc/85/58/49/570855849.db2.gz KJBRDHLOTFUALU-GOSISDBHSA-N 1 0 366.288 4.841 50 0 FJAARO COc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000104234933 570857985 /nfs/dbraw/zinc/85/79/85/570857985.db2.gz ZANBINYQLPJHJL-KUHUBIRLSA-N 1 0 358.869 4.513 50 0 FJAARO CCC[NH+]1CCC(NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000016580586 570858731 /nfs/dbraw/zinc/85/87/31/570858731.db2.gz NJQXYODDHGAHIS-UHFFFAOYSA-N 1 0 371.333 4.812 50 0 FJAARO COc1cc2c(cc1OC)[C@@]1(Cc3ccccc3)c3ccccc3C[N@@H+]1CC2 ZINC000019899089 570872955 /nfs/dbraw/zinc/87/29/55/570872955.db2.gz CLQQDVVZDDORTO-RUZDIDTESA-N 1 0 371.480 4.562 50 0 FJAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000046989499 570878059 /nfs/dbraw/zinc/87/80/59/570878059.db2.gz HBMMXPJWATVBDM-LBPRGKRZSA-N 1 0 361.288 4.517 50 0 FJAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc2cnccc21)c1ccsc1 ZINC000043161604 570896932 /nfs/dbraw/zinc/89/69/32/570896932.db2.gz MNKBUTLAFMZVPQ-IBGZPJMESA-N 1 0 368.506 4.501 50 0 FJAARO O=C(NC1CCCCCC1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020136966 570911045 /nfs/dbraw/zinc/91/10/45/570911045.db2.gz JENGUUDAHAOGLC-UHFFFAOYSA-N 1 0 362.517 4.698 50 0 FJAARO Clc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)n2)c1 ZINC000020598246 570920344 /nfs/dbraw/zinc/92/03/44/570920344.db2.gz ILJWZMYJAWUNOA-QGZVFWFLSA-N 1 0 353.853 4.770 50 0 FJAARO CCOc1cc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)ccc1OC(C)C ZINC000021719947 570933525 /nfs/dbraw/zinc/93/35/25/570933525.db2.gz KSPHCDDVGJOSBO-SFHVURJKSA-N 1 0 358.482 4.814 50 0 FJAARO CN(C)CC[N@@H+](Cc1ccccc1)CC(c1ccccc1)c1ccccc1 ZINC000022027669 570937562 /nfs/dbraw/zinc/93/75/62/570937562.db2.gz WDZRVHOEEFBQOV-UHFFFAOYSA-N 1 0 358.529 4.882 50 0 FJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H]1c1cccs1 ZINC000022131857 570940105 /nfs/dbraw/zinc/94/01/05/570940105.db2.gz ADEYNBKTCPUXNV-IBGZPJMESA-N 1 0 354.519 4.711 50 0 FJAARO COc1cc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)ccc1OCc1c(C)noc1C ZINC000022773499 570949719 /nfs/dbraw/zinc/94/97/19/570949719.db2.gz YHMSQQLGCFGBKM-AUSJPIAWSA-N 1 0 372.509 4.793 50 0 FJAARO CCN1CCC[C@H]1C[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000022936054 570953742 /nfs/dbraw/zinc/95/37/42/570953742.db2.gz FYNQHIRWDWTUMP-QFIPXVFZSA-N 1 0 374.528 4.993 50 0 FJAARO CCN1CCC[C@@H]1C[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000022936052 570953834 /nfs/dbraw/zinc/95/38/34/570953834.db2.gz FYNQHIRWDWTUMP-JOCHJYFZSA-N 1 0 374.528 4.993 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC000023339501 570961986 /nfs/dbraw/zinc/96/19/86/570961986.db2.gz LIEYDEQPOBLZMT-QGZVFWFLSA-N 1 0 353.416 4.735 50 0 FJAARO C[N@H+](CCOc1ccccc1)Cc1c(-c2ccccc2)nc2sccn12 ZINC000025139215 570991393 /nfs/dbraw/zinc/99/13/93/570991393.db2.gz NBNHSAHLHLZGTP-UHFFFAOYSA-N 1 0 363.486 4.574 50 0 FJAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccsc1 ZINC000025330530 570994116 /nfs/dbraw/zinc/99/41/16/570994116.db2.gz PKEXPNSMVQZYLL-INIZCTEOSA-N 1 0 374.893 4.694 50 0 FJAARO C[NH+](C)CCCNC(=O)c1sc2cc(C(C)(C)C)ccc2c1Cl ZINC000026688051 571007026 /nfs/dbraw/zinc/00/70/26/571007026.db2.gz WUUAXAOSQHGJSY-UHFFFAOYSA-N 1 0 352.931 4.534 50 0 FJAARO Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCCC2)cc1 ZINC000027581804 571014458 /nfs/dbraw/zinc/01/44/58/571014458.db2.gz RFUUQFMIJHBOOB-FQEVSTJZSA-N 1 0 356.897 4.605 50 0 FJAARO Cc1c2ccccc2oc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027664677 571018325 /nfs/dbraw/zinc/01/83/25/571018325.db2.gz NWJUAOXOETWRNM-QGZVFWFLSA-N 1 0 368.502 4.760 50 0 FJAARO Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCCCC2)cc1 ZINC000027664375 571018648 /nfs/dbraw/zinc/01/86/48/571018648.db2.gz HVKYOVWGLPIPPN-NRFANRHFSA-N 1 0 370.924 4.996 50 0 FJAARO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000027782634 571021116 /nfs/dbraw/zinc/02/11/16/571021116.db2.gz GTISVVVUIWFVSP-BZSISCHUSA-N 1 0 351.494 4.946 50 0 FJAARO CCCCOc1ccccc1C(=O)N1CCC(CC[NH+]2CCCCC2)CC1 ZINC000027994782 571025833 /nfs/dbraw/zinc/02/58/33/571025833.db2.gz LIDWHUKCDUFCBS-UHFFFAOYSA-N 1 0 372.553 4.594 50 0 FJAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000028289709 571029616 /nfs/dbraw/zinc/02/96/16/571029616.db2.gz VTJIJJXGEPKXQF-FQEVSTJZSA-N 1 0 364.489 4.699 50 0 FJAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@@H](C)c2ccccc2)c2c1cccc2Cl ZINC000028296764 571030833 /nfs/dbraw/zinc/03/08/33/571030833.db2.gz NOZOXHKYFNAUCM-MAUKXSAKSA-N 1 0 356.897 4.623 50 0 FJAARO c1ccc(C2CCC(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)CC2)cc1 ZINC000225450324 571036252 /nfs/dbraw/zinc/03/62/52/571036252.db2.gz KGGVADKXESQGMO-POOLCLQXSA-N 1 0 357.538 4.620 50 0 FJAARO C[C@@H](Nc1nc(C(F)F)nc2ccccc21)[C@H](c1ccccc1)[NH+](C)C ZINC000225532902 571043692 /nfs/dbraw/zinc/04/36/92/571043692.db2.gz GWRUGJNTCLOKQC-CXAGYDPISA-N 1 0 356.420 4.671 50 0 FJAARO Clc1ccc([C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)C2CC2)cc1 ZINC000225546270 571044858 /nfs/dbraw/zinc/04/48/58/571044858.db2.gz CSAJMZJGYZXHJX-OAQYLSRUSA-N 1 0 351.881 4.826 50 0 FJAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1 ZINC000012691507 571049699 /nfs/dbraw/zinc/04/96/99/571049699.db2.gz AVYHMIWKLHEANY-SFHVURJKSA-N 1 0 368.477 4.587 50 0 FJAARO CCc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000083825700 571051538 /nfs/dbraw/zinc/05/15/38/571051538.db2.gz JZVCCBCXJOFARS-PGRDOPGGSA-N 1 0 365.521 4.623 50 0 FJAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(N(CC)CC)cc2c1=O ZINC000008717368 571057171 /nfs/dbraw/zinc/05/71/71/571057171.db2.gz OHEYTYLJKWSRBY-QGZVFWFLSA-N 1 0 355.526 4.860 50 0 FJAARO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2cccc(OC)c2OC)cc1 ZINC000033087257 571062508 /nfs/dbraw/zinc/06/25/08/571062508.db2.gz KUTYQXGHOOTIAF-HXUWFJFHSA-N 1 0 355.478 4.830 50 0 FJAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000008862547 571063876 /nfs/dbraw/zinc/06/38/76/571063876.db2.gz URINTBWRYSKEDR-INIZCTEOSA-N 1 0 369.317 4.622 50 0 FJAARO CCC[C@](O)(c1ccc(O)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000016490197 571070114 /nfs/dbraw/zinc/07/01/14/571070114.db2.gz PHQMTFDPHUMHIK-GOTSBHOMSA-N 1 0 353.506 4.650 50 0 FJAARO Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](c4ccccc4)C3)n2)cc1F ZINC000084185405 571078237 /nfs/dbraw/zinc/07/82/37/571078237.db2.gz YZVTXPZIXDSYOV-IBGZPJMESA-N 1 0 365.452 4.606 50 0 FJAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1sc2ccccc2c1Cl ZINC000012759954 571078500 /nfs/dbraw/zinc/07/85/00/571078500.db2.gz OVFZPLNLYLGCGN-HNNXBMFYSA-N 1 0 370.905 4.559 50 0 FJAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000035805217 571078726 /nfs/dbraw/zinc/07/87/26/571078726.db2.gz RDSHOQFPXWAROE-MRXNPFEDSA-N 1 0 352.400 4.539 50 0 FJAARO Cc1oc(C)c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1C ZINC000040112347 571079392 /nfs/dbraw/zinc/07/93/92/571079392.db2.gz TUSOMGPHITXIJE-HNNXBMFYSA-N 1 0 354.494 4.509 50 0 FJAARO Fc1ccc(-c2ccc(C[NH2+]C3CCN(c4ccc(F)cc4)CC3)o2)cc1 ZINC000084419514 571085337 /nfs/dbraw/zinc/08/53/37/571085337.db2.gz MVYHYTPJNILRFG-UHFFFAOYSA-N 1 0 368.427 4.983 50 0 FJAARO Cc1cc(C)c(NC(=S)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC000245224733 571094604 /nfs/dbraw/zinc/09/46/04/571094604.db2.gz CLQOWQIQBDGAFV-HUUCEWRRSA-N 1 0 353.963 4.506 50 0 FJAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]C3CCCCCC3)cc2)cc1 ZINC000040733103 571094803 /nfs/dbraw/zinc/09/48/03/571094803.db2.gz FXBQMVXTIGRKDH-UHFFFAOYSA-N 1 0 366.505 4.825 50 0 FJAARO COc1cc(OC)c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1Br ZINC000230133022 571095915 /nfs/dbraw/zinc/09/59/15/571095915.db2.gz HTDDXJUOHOGXSM-XJKSGUPXSA-N 1 0 368.315 4.621 50 0 FJAARO C[C@@H](O)C[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040743996 571096129 /nfs/dbraw/zinc/09/61/29/571096129.db2.gz LPQPQHIFQXBALJ-OAHLLOKOSA-N 1 0 355.865 4.543 50 0 FJAARO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044938596 571105367 /nfs/dbraw/zinc/10/53/67/571105367.db2.gz YOPBNHGUCLVOQV-UHFFFAOYSA-N 1 0 354.519 4.649 50 0 FJAARO OCC1CC[NH+](Cc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 ZINC000072313898 571107340 /nfs/dbraw/zinc/10/73/40/571107340.db2.gz FTYYFMSRYKYKOO-UHFFFAOYSA-N 1 0 372.921 4.821 50 0 FJAARO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](C2CCCC2)C3)cc1 ZINC000015001522 571107902 /nfs/dbraw/zinc/10/79/02/571107902.db2.gz YWTRKDGYBHCOTG-UHFFFAOYSA-N 1 0 353.462 4.508 50 0 FJAARO FC(F)(F)c1cnc(NC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000052508097 571111559 /nfs/dbraw/zinc/11/15/59/571111559.db2.gz BFLMHDWRTKQPHJ-UHFFFAOYSA-N 1 0 369.818 4.830 50 0 FJAARO Cc1ccccc1[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccncc1 ZINC000055569074 571120903 /nfs/dbraw/zinc/12/09/03/571120903.db2.gz USIBCNBUUCZPEZ-QHCPKHFHSA-N 1 0 372.447 4.798 50 0 FJAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1Cl)c1cccc2ccccc21 ZINC000010330410 571125294 /nfs/dbraw/zinc/12/52/94/571125294.db2.gz FHNABUOLSBLBCZ-HXUWFJFHSA-N 1 0 352.865 4.526 50 0 FJAARO C[C@H](C[N@H+](C)Cc1ccccc1)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000248020290 571127487 /nfs/dbraw/zinc/12/74/87/571127487.db2.gz UNNQDXMODLDYNT-PXDATVDWSA-N 1 0 359.513 4.885 50 0 FJAARO CCCCCC[NH2+]Cc1nn(Cc2ccccc2C)nc1-c1ccccc1 ZINC000248161600 571128165 /nfs/dbraw/zinc/12/81/65/571128165.db2.gz PAZRHPGGBFVGFZ-UHFFFAOYSA-N 1 0 362.521 4.972 50 0 FJAARO Cc1ccccc1Cn1cc(C[NH2+]C[C@@H](O)c2ccccc2)c2ccccc21 ZINC000248168484 571128293 /nfs/dbraw/zinc/12/82/93/571128293.db2.gz UBPLBKSJXRSFSM-RUZDIDTESA-N 1 0 370.496 4.821 50 0 FJAARO CCn1nc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)n1 ZINC000248258142 571128531 /nfs/dbraw/zinc/12/85/31/571128531.db2.gz PHFGKABPTOFARM-LXGFQCHUSA-N 1 0 364.537 4.660 50 0 FJAARO CC[C@@H](C)[NH2+]Cc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000248261258 571128791 /nfs/dbraw/zinc/12/87/91/571128791.db2.gz WFEXGCRJEVVOQN-CQSZACIVSA-N 1 0 372.875 4.674 50 0 FJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccccc1-c1ccccc1 ZINC000015831723 571130838 /nfs/dbraw/zinc/13/08/38/571130838.db2.gz PMUFAZGDGRXHMD-GOSISDBHSA-N 1 0 351.494 4.740 50 0 FJAARO O=C(CC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1)Nc1ccccc1F ZINC000058357032 571131306 /nfs/dbraw/zinc/13/13/06/571131306.db2.gz RSWJDBUIAIFOSL-UHFFFAOYSA-N 1 0 365.452 4.515 50 0 FJAARO COc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)c1 ZINC000060040203 571135935 /nfs/dbraw/zinc/13/59/35/571135935.db2.gz JCDPIBADEZXMBJ-QFIPXVFZSA-N 1 0 360.457 4.624 50 0 FJAARO Clc1ccc(Cn2nc(C[NH2+]C3CCCC3)c(-c3ccccc3)n2)cc1 ZINC000253494054 571136069 /nfs/dbraw/zinc/13/60/69/571136069.db2.gz WGCPISZEQFYOTM-UHFFFAOYSA-N 1 0 366.896 4.679 50 0 FJAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000026121493 571140458 /nfs/dbraw/zinc/14/04/58/571140458.db2.gz BROFZEOVZHJXHP-UHFFFAOYSA-N 1 0 370.541 4.663 50 0 FJAARO O[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 ZINC000016480517 571141968 /nfs/dbraw/zinc/14/19/68/571141968.db2.gz LHAOGTINIFJFKH-NRFANRHFSA-N 1 0 367.876 4.742 50 0 FJAARO Cc1nc(-c2c(-c3ccccc3)ncn2C2CC(C)(C)[NH2+]C(C)(C)C2)c[nH]1 ZINC000065432264 571143565 /nfs/dbraw/zinc/14/35/65/571143565.db2.gz KOLHLPUBTFAVKL-UHFFFAOYSA-N 1 0 363.509 4.730 50 0 FJAARO Cc1ccc(C[N@@H+]2CCc3onc(-c4ccccc4)c3C2)c2cccnc12 ZINC000067541377 571146952 /nfs/dbraw/zinc/14/69/52/571146952.db2.gz RKWCJLVONBRASY-UHFFFAOYSA-N 1 0 355.441 4.757 50 0 FJAARO O=C(c1ccco1)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000034114397 571147330 /nfs/dbraw/zinc/14/73/30/571147330.db2.gz FZJVHWISUGFFQV-UHFFFAOYSA-N 1 0 374.484 4.634 50 0 in-vitro FJAARO Cc1ccsc1-c1nc(C[NH+]2CCC(CCn3cccn3)CC2)c(C)o1 ZINC000067741277 571149030 /nfs/dbraw/zinc/14/90/30/571149030.db2.gz UEGBPDBILDVFFP-UHFFFAOYSA-N 1 0 370.522 4.519 50 0 FJAARO Cc1nc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)oc1-c1ccc(Cl)cc1 ZINC000075109105 571155897 /nfs/dbraw/zinc/15/58/97/571155897.db2.gz LFYAKGRXZYAGFD-LJQANCHMSA-N 1 0 367.880 4.990 50 0 FJAARO Cc1ccc(C)c(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000004668278 571156326 /nfs/dbraw/zinc/15/63/26/571156326.db2.gz VOALHWNWJTWPEC-GHTZIAJQSA-N 1 0 373.610 4.975 50 0 FJAARO Cc1cnc(C)nc1NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000071315331 571160698 /nfs/dbraw/zinc/16/06/98/571160698.db2.gz WEOKRBDJJQXMKF-UHFFFAOYSA-N 1 0 374.366 4.912 50 0 FJAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000004700299 571163803 /nfs/dbraw/zinc/16/38/03/571163803.db2.gz ACBWMEKBGMQBRN-UHFFFAOYSA-N 1 0 364.533 4.647 50 0 FJAARO COc1ccc(O)cc1C[N@@H+]1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071750576 571164998 /nfs/dbraw/zinc/16/49/98/571164998.db2.gz JFZPWDDRDDXLAX-HNNXBMFYSA-N 1 0 361.432 4.524 50 0 FJAARO CC[C@@](O)(c1cccc(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071769307 571166258 /nfs/dbraw/zinc/16/62/58/571166258.db2.gz OKARETPOLGJSFX-WOJBJXKFSA-N 1 0 363.423 4.825 50 0 FJAARO Cc1cc(C)cc(NC(=O)[C@@H]([NH2+]CCc2cccs2)c2ccccc2)c1 ZINC000035351436 571167166 /nfs/dbraw/zinc/16/71/66/571167166.db2.gz LGDZVGYDBZHSHV-NRFANRHFSA-N 1 0 364.514 4.877 50 0 FJAARO CC1(C)C[C@@H](C[NH2+]CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)CCO1 ZINC000001817164 571171696 /nfs/dbraw/zinc/17/16/96/571171696.db2.gz VFBQBALYJXPYLA-WMZHIEFXSA-N 1 0 359.554 4.698 50 0 FJAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Cl)c1csc2ccccc21 ZINC000575622514 571173147 /nfs/dbraw/zinc/17/31/47/571173147.db2.gz ZHPHKFIIIHLALQ-KRWDZBQOSA-N 1 0 358.894 4.587 50 0 FJAARO C[C@@H](c1cccc(-c2ccc(-c3nc(C4CC4)no3)cn2)c1)[NH+]1CCCC1 ZINC000072161381 571175842 /nfs/dbraw/zinc/17/58/42/571175842.db2.gz JKBIPLYZIKMACN-HNNXBMFYSA-N 1 0 360.461 4.833 50 0 FJAARO COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H]2c2ccccn2)s1 ZINC000072162627 571176188 /nfs/dbraw/zinc/17/61/88/571176188.db2.gz FWTDAONVKRWIMG-SFHVURJKSA-N 1 0 351.475 4.551 50 0 FJAARO CC[NH2+][C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003280433 571178635 /nfs/dbraw/zinc/17/86/35/571178635.db2.gz GYNKNDFZSWFLJC-OAHLLOKOSA-N 1 0 356.775 4.648 50 0 FJAARO CC[NH2+][C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003280431 571178719 /nfs/dbraw/zinc/17/87/19/571178719.db2.gz GYNKNDFZSWFLJC-HNNXBMFYSA-N 1 0 356.775 4.648 50 0 FJAARO O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2cnc3n2CCC3)c1 ZINC000090607224 571179829 /nfs/dbraw/zinc/17/98/29/571179829.db2.gz JVDYPACVCQIYEY-UHFFFAOYSA-N 1 0 352.825 4.794 50 0 FJAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000003344841 571180989 /nfs/dbraw/zinc/18/09/89/571180989.db2.gz ITGKIXSJWAOOJF-SFHVURJKSA-N 1 0 362.395 4.917 50 0 FJAARO CCOc1ccccc1NC(=O)[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000003371962 571182369 /nfs/dbraw/zinc/18/23/69/571182369.db2.gz GHTQTHBTHYZPKR-QFIPXVFZSA-N 1 0 366.505 4.935 50 0 FJAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccc(F)c(C)c3)c2)cc1 ZINC000013000188 571187622 /nfs/dbraw/zinc/18/76/22/571187622.db2.gz PGJKBRZPGQNHHW-UHFFFAOYSA-N 1 0 362.448 4.985 50 0 FJAARO COc1ccc([C@H](CC[NH2+]Cc2ccc(OC)c(OC)c2)C(C)C)cc1 ZINC000001798357 571193776 /nfs/dbraw/zinc/19/37/76/571193776.db2.gz XABPPFYKVVQMGX-HXUWFJFHSA-N 1 0 357.494 4.632 50 0 FJAARO COc1ccc([C@@H](CC[NH2+]Cc2ccc(OC)c(OC)c2)C(C)C)cc1 ZINC000001798359 571193872 /nfs/dbraw/zinc/19/38/72/571193872.db2.gz XABPPFYKVVQMGX-FQEVSTJZSA-N 1 0 357.494 4.632 50 0 FJAARO Cc1cccc(-c2nc3cc4c(cc3cc2C[NH+]2CCC(O)CC2)CCC4)c1 ZINC000072457120 571197678 /nfs/dbraw/zinc/19/76/78/571197678.db2.gz OKYDXYAENJISPX-UHFFFAOYSA-N 1 0 372.512 4.656 50 0 FJAARO CCCC(=O)Nc1cccc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000092127706 571198109 /nfs/dbraw/zinc/19/81/09/571198109.db2.gz RWBAPVOYCAHFIM-ICSRJNTNSA-N 1 0 365.521 4.981 50 0 FJAARO COc1ccccc1[C@@]1(CC[NH2+]Cc2ccccc2)CCOC(C)(C)C1 ZINC000004027908 571206190 /nfs/dbraw/zinc/20/61/90/571206190.db2.gz SYGFEMKESHDRBP-QHCPKHFHSA-N 1 0 353.506 4.702 50 0 FJAARO Cc1cc(=O)[nH]c(-c2ccc(-c3ccc([C@H](C)[NH+]4CCCC4)cc3)cc2)n1 ZINC000534646713 571206598 /nfs/dbraw/zinc/20/65/98/571206598.db2.gz NEIVRZDQYNYLMH-KRWDZBQOSA-N 1 0 359.473 4.569 50 0 FJAARO CC(C)c1nc2sc3c(c2c(N2CC[NH+](C(C)C)CC2)n1)CCCCC3 ZINC000035893009 571209133 /nfs/dbraw/zinc/20/91/33/571209133.db2.gz JJGKLANOVCEUBR-UHFFFAOYSA-N 1 0 372.582 4.614 50 0 FJAARO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccccc2-c2ccco2)C1 ZINC000077405947 571210213 /nfs/dbraw/zinc/21/02/13/571210213.db2.gz CEZHKVHXIFAUAI-DEOSSOPVSA-N 1 0 361.485 4.764 50 0 FJAARO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2nc3cccnc3s2)CC1 ZINC000089534421 571211888 /nfs/dbraw/zinc/21/18/88/571211888.db2.gz VUOFBSGJMNSTDM-UHFFFAOYSA-N 1 0 362.502 4.861 50 0 FJAARO Cc1ccc([C@@H]2CN(c3cc(C)c4cc(F)ccc4n3)C[C@H]2[NH+](C)C)cc1 ZINC000077455315 571212220 /nfs/dbraw/zinc/21/22/20/571212220.db2.gz UTROMIPUASGNQP-RBBKRZOGSA-N 1 0 363.480 4.525 50 0 FJAARO C[C@H]1C[C@H](C)C[NH+](CCOCCOc2ccc(Cl)c3ccccc23)C1 ZINC000004906573 571213784 /nfs/dbraw/zinc/21/37/84/571213784.db2.gz YKVZILBGRZOAET-IRXDYDNUSA-N 1 0 361.913 4.867 50 0 FJAARO CN(CC[N@H+](C)C1CCCC1)C(=O)c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000426420127 571222530 /nfs/dbraw/zinc/22/25/30/571222530.db2.gz OGAMFWZQDLBSCZ-UHFFFAOYSA-N 1 0 372.459 4.578 50 0 FJAARO CC(=O)c1cccc(OCCCC[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000006624666 571237368 /nfs/dbraw/zinc/23/73/68/571237368.db2.gz RKUSPIIJEPLHLY-QFIPXVFZSA-N 1 0 352.478 4.670 50 0 FJAARO C[N@H+](Cc1cc(=O)c2cccc(Cl)c2[nH]1)[C@@H](c1ccccn1)C1CC1 ZINC000091254848 571238551 /nfs/dbraw/zinc/23/85/51/571238551.db2.gz LXVMZOMXCUBTBF-HXUWFJFHSA-N 1 0 353.853 4.572 50 0 FJAARO Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000006725020 571243810 /nfs/dbraw/zinc/24/38/10/571243810.db2.gz SQBIWQXZWMPRCU-HYFFOGBASA-N 1 0 350.506 4.961 50 0 FJAARO COCCC[NH2+]CC[C@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000006758248 571245383 /nfs/dbraw/zinc/24/53/83/571245383.db2.gz CSNJQYPQMKIACA-IEBWSBKVSA-N 1 0 367.961 4.720 50 0 FJAARO CCC[C@@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000006811652 571247907 /nfs/dbraw/zinc/24/79/07/571247907.db2.gz ZPRSLNGJTTYSCX-DNQXCXABSA-N 1 0 367.533 4.953 50 0 FJAARO COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2)c1OC ZINC000036347922 571249097 /nfs/dbraw/zinc/24/90/97/571249097.db2.gz GNTRNLFNBLSYAO-JOCHJYFZSA-N 1 0 362.473 4.501 50 0 FJAARO COc1ccc(OCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000006848077 571250452 /nfs/dbraw/zinc/25/04/52/571250452.db2.gz MRMWHBNJOBQHJX-UHFFFAOYSA-N 1 0 368.502 4.563 50 0 FJAARO CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)[C@H](C)c1cccc(OC)c1 ZINC000036392977 571252850 /nfs/dbraw/zinc/25/28/50/571252850.db2.gz CKFRHJHSNKIGLB-GOSISDBHSA-N 1 0 354.494 4.642 50 0 FJAARO Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000037210487 571265981 /nfs/dbraw/zinc/26/59/81/571265981.db2.gz KYAVDHQOFHWPNM-HXUWFJFHSA-N 1 0 368.527 4.704 50 0 FJAARO FC(F)(F)c1cc(NCC[N@@H+]2CCc3ccccc3C2)c2ccccc2n1 ZINC000089861164 571273674 /nfs/dbraw/zinc/27/36/74/571273674.db2.gz PRGYQORRLLPAKH-UHFFFAOYSA-N 1 0 371.406 4.724 50 0 FJAARO COc1ccccc1[C@@H](CC[NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000002126695 571278703 /nfs/dbraw/zinc/27/87/03/571278703.db2.gz ZJRAJVFUDNLVDK-IEBWSBKVSA-N 1 0 357.494 4.605 50 0 FJAARO CCc1ccc2c(CN(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cc(=O)oc2c1 ZINC000017524022 571282478 /nfs/dbraw/zinc/28/24/78/571282478.db2.gz YNOZRLSDBVLPBF-LIRRHRJNSA-N 1 0 351.446 4.704 50 0 FJAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037560033 571287943 /nfs/dbraw/zinc/28/79/43/571287943.db2.gz AEKGBZGUKIJVRF-UHFFFAOYSA-N 1 0 354.469 4.542 50 0 FJAARO CCCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037570634 571288156 /nfs/dbraw/zinc/28/81/56/571288156.db2.gz NUZFPHOJXYIHRQ-UHFFFAOYSA-N 1 0 368.496 4.932 50 0 FJAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2c(cccc2Cl)s1 ZINC000079190802 571327211 /nfs/dbraw/zinc/32/72/11/571327211.db2.gz MEIZQZZEDORMJF-XJKSGUPXSA-N 1 0 362.926 4.549 50 0 FJAARO Cc1[nH+]c(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccn12 ZINC000095446442 571329757 /nfs/dbraw/zinc/32/97/57/571329757.db2.gz QRWDFUZMJWMPCC-UHFFFAOYSA-N 1 0 372.428 4.757 50 0 FJAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)cc1OC(F)F ZINC000095453812 571329977 /nfs/dbraw/zinc/32/99/77/571329977.db2.gz YLSXNIZXOIVXGZ-QGZVFWFLSA-N 1 0 362.420 4.809 50 0 FJAARO O=C(C[NH2+][C@H](Cc1ccccc1)C1CC1)Nc1cccc(Cl)c1Cl ZINC000095466638 571330459 /nfs/dbraw/zinc/33/04/59/571330459.db2.gz GKXZTXOIPSJIEQ-QGZVFWFLSA-N 1 0 363.288 4.543 50 0 FJAARO O=C(C[NH2+][C@@H](Cc1ccccc1)C1CC1)Nc1cccc(Cl)c1Cl ZINC000095466637 571330469 /nfs/dbraw/zinc/33/04/69/571330469.db2.gz GKXZTXOIPSJIEQ-KRWDZBQOSA-N 1 0 363.288 4.543 50 0 FJAARO Cc1ccccc1NC(=S)N1CCC([N@@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000020733562 571331650 /nfs/dbraw/zinc/33/16/50/571331650.db2.gz TWLQFTCLKAJKAP-XLIONFOSSA-N 1 0 359.583 4.667 50 0 FJAARO Cc1ccccc1CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020766613 571331729 /nfs/dbraw/zinc/33/17/29/571331729.db2.gz SXLCHWAAYOUDQI-UHFFFAOYSA-N 1 0 354.497 4.883 50 0 FJAARO CCCCCC[NH2+]C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000002626771 571339501 /nfs/dbraw/zinc/33/95/01/571339501.db2.gz CMXDXGPJFDZWBN-QFIPXVFZSA-N 1 0 369.549 4.922 50 0 FJAARO CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000056597136 571341271 /nfs/dbraw/zinc/34/12/71/571341271.db2.gz PDNYOUGCQZUABU-KRWDZBQOSA-N 1 0 371.525 4.646 50 0 FJAARO CCOc1ccc([C@@](O)(CC)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000002907751 571341541 /nfs/dbraw/zinc/34/15/41/571341541.db2.gz OGZAONAWUUEDKY-RPWUZVMVSA-N 1 0 367.533 4.953 50 0 FJAARO C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000057427724 571343378 /nfs/dbraw/zinc/34/33/78/571343378.db2.gz LONPHRVCDZFBKG-KRWDZBQOSA-N 1 0 363.461 4.690 50 0 FJAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2cccs2)c2ccccc2)cc1F ZINC000057508779 571343914 /nfs/dbraw/zinc/34/39/14/571343914.db2.gz ZKHQUIFVUKEQPE-MGPUTAFESA-N 1 0 368.477 4.902 50 0 FJAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCCC3)CC2)c(C)c1 ZINC000003058492 571344394 /nfs/dbraw/zinc/34/43/94/571344394.db2.gz ADVDFVHZVVXYJR-UHFFFAOYSA-N 1 0 359.583 4.729 50 0 FJAARO C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003206352 571345509 /nfs/dbraw/zinc/34/55/09/571345509.db2.gz WGTOLGDFKAMFSC-SUMWQHHRSA-N 1 0 363.914 4.749 50 0 FJAARO CC1(C)CC(NC(=S)Nc2ccc(SC(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000003257193 571346182 /nfs/dbraw/zinc/34/61/82/571346182.db2.gz TZMDSWMMPSRZGR-UHFFFAOYSA-N 1 0 373.538 4.597 50 0 FJAARO C[C@@H]1CCc2c(sc3ncnc(NC[C@@H](c4ccccc4)[NH+](C)C)c23)C1 ZINC000003285402 571346687 /nfs/dbraw/zinc/34/66/87/571346687.db2.gz CVERDUYFQPGPKY-PBHICJAKSA-N 1 0 366.534 4.531 50 0 FJAARO CCn1c2ccccc2c2cc(NC(=O)C[NH2+]Cc3cccs3)ccc21 ZINC000003338896 571347761 /nfs/dbraw/zinc/34/77/61/571347761.db2.gz SFKDKUIBVILDKR-UHFFFAOYSA-N 1 0 363.486 4.604 50 0 FJAARO Cc1ccsc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000031077504 571350656 /nfs/dbraw/zinc/35/06/56/571350656.db2.gz VWPXRJSMMOUBSD-UHFFFAOYSA-N 1 0 364.514 4.715 50 0 FJAARO O[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc3c4ccccc4oc32)CC1 ZINC000670447507 571351141 /nfs/dbraw/zinc/35/11/41/571351141.db2.gz KINPOOHBFPDHPX-HSZRJFAPSA-N 1 0 372.468 4.927 50 0 FJAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000003588740 571351384 /nfs/dbraw/zinc/35/13/84/571351384.db2.gz PITDVXVLGILNFO-UHFFFAOYSA-N 1 0 373.488 4.599 50 0 FJAARO CCc1ccccc1NC(=S)N(CCC[NH+](CC)CC)Cc1ccco1 ZINC000003665550 571352183 /nfs/dbraw/zinc/35/21/83/571352183.db2.gz OWQDWMUPUWBYOD-UHFFFAOYSA-N 1 0 373.566 4.773 50 0 FJAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(OC)c(OC)c2)(C(C)C)CCO1 ZINC000004073514 571354765 /nfs/dbraw/zinc/35/47/65/571354765.db2.gz KTTAQLFNXHNCAF-FGZHOGPDSA-N 1 0 363.542 4.805 50 0 FJAARO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000032355544 571357190 /nfs/dbraw/zinc/35/71/90/571357190.db2.gz PSYXKCMZUDAQPS-QGZVFWFLSA-N 1 0 363.288 4.560 50 0 FJAARO C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCCc2ccccc21 ZINC000008126478 571359118 /nfs/dbraw/zinc/35/91/18/571359118.db2.gz QIWHYQZOGCWXNY-SFHVURJKSA-N 1 0 363.288 4.941 50 0 FJAARO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000008126762 571359208 /nfs/dbraw/zinc/35/92/08/571359208.db2.gz HXGGXHBPTDGCSA-QGZVFWFLSA-N 1 0 363.288 4.941 50 0 FJAARO CC[NH2+]Cc1cnc(C)c2oc(-c3cc(=O)oc4c(C)c(C)ccc34)cc21 ZINC000096115032 209885539 /nfs/dbraw/zinc/88/55/39/209885539.db2.gz FRIUYGLDKLXHRF-UHFFFAOYSA-N 1 0 362.429 4.636 50 0 FJAARO C[N@H+]1[C@H]2C=C(N(C(=O)c3ccc(Cl)cc3)c3ccccc3)C[C@@H]1CC2 ZINC000000755209 219319179 /nfs/dbraw/zinc/31/91/79/219319179.db2.gz PAAJTXSXVPEGFW-MOPGFXCFSA-N 1 0 352.865 4.737 50 0 FJAARO COC(=O)CN1C(c2ccccc2)=[NH+]c2ccc(C)cc2[C@@H]1c1ccccc1 ZINC000000845423 219329629 /nfs/dbraw/zinc/32/96/29/219329629.db2.gz ZMWKHABCFQCHRI-QHCPKHFHSA-N 1 0 370.452 4.651 50 0 FJAARO CC[NH+](CC)CCOc1nnc(-c2ccc(Cl)cc2)c2ccccc21 ZINC000001215876 219390223 /nfs/dbraw/zinc/39/02/23/219390223.db2.gz BKWFLVLTCCFMFJ-UHFFFAOYSA-N 1 0 355.869 4.671 50 0 FJAARO COc1ccc([C@H](O)[C@H](C[NH+]2CCCCCC2)c2ccccc2)cc1F ZINC000001250082 219392393 /nfs/dbraw/zinc/39/23/93/219392393.db2.gz DUCPMFSDYMOYQG-KNQAVFIVSA-N 1 0 357.469 4.528 50 0 FJAARO CC[NH+]1CCC(c2nc(-c3cccc(Br)c3)cs2)CC1 ZINC000001251744 219392962 /nfs/dbraw/zinc/39/29/62/219392962.db2.gz UOIUXZCCHBUOLE-UHFFFAOYSA-N 1 0 351.313 4.772 50 0 FJAARO Clc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCCO3)c3ccccc32)cc1 ZINC000253489816 222990807 /nfs/dbraw/zinc/99/08/07/222990807.db2.gz GNBVSMMWXVJBNN-IBGZPJMESA-N 1 0 354.881 4.612 50 0 FJAARO CN(C)c1ccc(C2=[NH+]N(c3ccc(C=O)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000004737686 219602060 /nfs/dbraw/zinc/60/20/60/219602060.db2.gz DLIZRVPRKOSFIO-XMMPIXPASA-N 1 0 369.468 4.921 50 0 FJAARO COc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1Br ZINC000000755531 209482300 /nfs/dbraw/zinc/48/23/00/209482300.db2.gz TVLNYZQIXUQKGI-UHFFFAOYSA-N 1 0 374.322 4.912 50 0 FJAARO CC(=O)Nc1sc2c(c1[C@H](c1ccccn1)[NH+]1CCCCC1)CCCC2 ZINC000000950033 209384598 /nfs/dbraw/zinc/38/45/98/209384598.db2.gz SEIHYLKRJMDYJI-FQEVSTJZSA-N 1 0 369.534 4.556 50 0 FJAARO Cc1cc(C)c(OCCCC[N@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000002823980 209398984 /nfs/dbraw/zinc/39/89/84/209398984.db2.gz URQBIGPVUPCUIG-AWEZNQCLSA-N 1 0 354.332 4.957 50 0 FJAARO FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CCCc1nc3ccccc3[nH]1)CCC2 ZINC000132670117 209372369 /nfs/dbraw/zinc/37/23/69/209372369.db2.gz FCVKLJNYECKALD-HNNXBMFYSA-N 1 0 374.410 4.577 50 0 FJAARO CCn1c2ccccc2c2cc(C[NH2+]Cc3nc4ccccc4[nH]3)ccc21 ZINC000113397856 209336528 /nfs/dbraw/zinc/33/65/28/209336528.db2.gz INQZCQHXIJSUCG-UHFFFAOYSA-N 1 0 354.457 4.981 50 0 FJAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc3ncccc32)cc1 ZINC000299786539 223096906 /nfs/dbraw/zinc/09/69/06/223096906.db2.gz MYVWAZLLZYHWBE-JOCHJYFZSA-N 1 0 374.488 4.665 50 0 FJAARO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000328594566 223115967 /nfs/dbraw/zinc/11/59/67/223115967.db2.gz VAAUUFQWRQVPQO-HAQNSBGRSA-N 1 0 358.700 4.725 50 0 FJAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000009992015 219888567 /nfs/dbraw/zinc/88/85/67/219888567.db2.gz BVMIFELLWLBZOX-UHFFFAOYSA-N 1 0 363.288 4.519 50 0 FJAARO COc1ccc([C@@]2(CC[NH2+]Cc3ccccc3)CCOC(C)(C)C2)cc1 ZINC000012384394 219986878 /nfs/dbraw/zinc/98/68/78/219986878.db2.gz GXKOSANWZUHEGJ-QHCPKHFHSA-N 1 0 353.506 4.702 50 0 FJAARO COc1ccccc1C[NH2+][C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 ZINC000012593218 220010533 /nfs/dbraw/zinc/01/05/33/220010533.db2.gz ONLAKLBOHLFOBT-NRFANRHFSA-N 1 0 361.489 4.665 50 0 FJAARO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000012676477 220016718 /nfs/dbraw/zinc/01/67/18/220016718.db2.gz PEGSMEXVVIIRRN-ACJLOTCBSA-N 1 0 373.294 4.517 50 0 FJAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000012702476 220017698 /nfs/dbraw/zinc/01/76/98/220017698.db2.gz JYPRTEYNYRBMSX-GOSISDBHSA-N 1 0 373.928 4.829 50 0 FJAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000012766621 220027377 /nfs/dbraw/zinc/02/73/77/220027377.db2.gz SJWZEJXWCCHUIY-NRFANRHFSA-N 1 0 363.457 4.756 50 0 FJAARO CC[C@H](C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000012773852 220028317 /nfs/dbraw/zinc/02/83/17/220028317.db2.gz NEMPPXBLRVZWMJ-SFHVURJKSA-N 1 0 350.506 4.612 50 0 FJAARO COCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000013722206 220089486 /nfs/dbraw/zinc/08/94/86/220089486.db2.gz KNZFKMBRYVOQQQ-UHFFFAOYSA-N 1 0 354.277 4.699 50 0 FJAARO CC[NH+](CC)CCCNCc1ccc(OCc2ccccc2Cl)cc1 ZINC000013734115 220090743 /nfs/dbraw/zinc/09/07/43/220090743.db2.gz LIHSSFDSZZNDLX-UHFFFAOYSA-N 1 0 360.929 4.741 50 0 FJAARO CSc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3C)C2)cc1 ZINC000015072274 220145986 /nfs/dbraw/zinc/14/59/86/220145986.db2.gz CRLTYSFVFXESTA-JOCHJYFZSA-N 1 0 355.547 4.534 50 0 FJAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C4CCCCCC4)C3)C2)c1 ZINC000015063389 220143389 /nfs/dbraw/zinc/14/33/89/220143389.db2.gz GUWMJHBVDHRTEW-XMMPIXPASA-N 1 0 368.565 4.780 50 0 FJAARO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000015074370 220145494 /nfs/dbraw/zinc/14/54/94/220145494.db2.gz QSWGTELULQXTEK-FQEVSTJZSA-N 1 0 365.477 4.610 50 0 FJAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000015582002 220155881 /nfs/dbraw/zinc/15/58/81/220155881.db2.gz RKVMGYKHIFONQX-UHFFFAOYSA-N 1 0 373.422 4.857 50 0 FJAARO Cc1cccc(C[N@H+]2CC=C(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000015861047 220168507 /nfs/dbraw/zinc/16/85/07/220168507.db2.gz MPAYNNUALYHGAL-UHFFFAOYSA-N 1 0 358.844 4.558 50 0 FJAARO Clc1ccc(COc2cccc(C[NH2+]C[C@H]3CCCO3)c2)c(Cl)c1 ZINC000016399605 220184051 /nfs/dbraw/zinc/18/40/51/220184051.db2.gz JYFHTHCQTLZZSU-GOSISDBHSA-N 1 0 366.288 4.841 50 0 FJAARO Clc1ccc(COc2ccc(C[NH2+]C[C@@H]3CCCO3)cc2)c(Cl)c1 ZINC000016401555 220184204 /nfs/dbraw/zinc/18/42/04/220184204.db2.gz KJBRDHLOTFUALU-SFHVURJKSA-N 1 0 366.288 4.841 50 0 FJAARO Cc1c2ccc3ccccc3c2oc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000016600057 220187827 /nfs/dbraw/zinc/18/78/27/220187827.db2.gz HYQXDNPZNKPXMC-UHFFFAOYSA-N 1 0 352.478 4.743 50 0 FJAARO CC1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000017311474 220213614 /nfs/dbraw/zinc/21/36/14/220213614.db2.gz WXOYKNACJXXWTG-UHFFFAOYSA-N 1 0 360.505 4.662 50 0 FJAARO C[NH+]1CCN(C/C=C2\c3ccccc3CSc3cc(Cl)ccc32)CC1 ZINC000019370806 220253098 /nfs/dbraw/zinc/25/30/98/220253098.db2.gz UFCNCLSIWYRAOP-UFWORHAWSA-N 1 0 370.949 4.625 50 0 FJAARO COc1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019365577 220254033 /nfs/dbraw/zinc/25/40/33/220254033.db2.gz XFGDBEADHRFUHJ-UHFFFAOYSA-N 1 0 372.512 4.602 50 0 FJAARO Cc1ccc(-c2c[n+]3ccccc3n2-c2ccc(Br)cc2)cc1 ZINC000000624170 206816309 /nfs/dbraw/zinc/81/63/09/206816309.db2.gz GQBJTOKEUYOFCP-UHFFFAOYSA-N 1 0 364.266 4.954 50 0 FJAARO CC(C)Oc1ccc([C@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000822598 206836718 /nfs/dbraw/zinc/83/67/18/206836718.db2.gz CGNFTBAYNOZJGF-PKTZIBPZSA-N 1 0 353.506 4.777 50 0 FJAARO C[N@H+](C1CCCCC1)C1CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC000003045530 206954399 /nfs/dbraw/zinc/95/43/99/206954399.db2.gz QNGQMUWRPDNPPL-UHFFFAOYSA-N 1 0 365.974 4.766 50 0 FJAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(C)cc3)n2CCOC)cc1 ZINC000004679260 207036969 /nfs/dbraw/zinc/03/69/69/207036969.db2.gz XKZVTLUJBVEBQY-UHFFFAOYSA-N 1 0 365.477 4.516 50 0 FJAARO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+]2C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000004672948 207037063 /nfs/dbraw/zinc/03/70/63/207037063.db2.gz BFFNCKPHSZVHRB-PQCJFMQRSA-N 1 0 366.549 4.984 50 0 FJAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000004745063 207045354 /nfs/dbraw/zinc/04/53/54/207045354.db2.gz IVSOCRIDXMJPBC-HSZRJFAPSA-N 1 0 372.512 4.710 50 0 FJAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000004725580 207042167 /nfs/dbraw/zinc/04/21/67/207042167.db2.gz KKKWPCQEYDOALJ-LFNFIXQYSA-N 1 0 362.517 4.679 50 0 FJAARO O=C(Nc1sc2c(c1C[NH+]1CCCCC1)CCC2)c1ccccc1F ZINC000004748616 207044282 /nfs/dbraw/zinc/04/42/82/207044282.db2.gz OWRODAHKBXWDSW-UHFFFAOYSA-N 1 0 358.482 4.614 50 0 FJAARO c1ccc(Oc2cccc(CN3CCC([NH+]4CCCCC4)CC3)c2)cc1 ZINC000004745805 207044316 /nfs/dbraw/zinc/04/43/16/207044316.db2.gz BMNGXGRQNLPAHV-UHFFFAOYSA-N 1 0 350.506 4.929 50 0 FJAARO CCC[NH+](CCC)CCCNC(=O)c1cc2cc3ccc(C)cc3nc2o1 ZINC000004906502 207059963 /nfs/dbraw/zinc/05/99/63/207059963.db2.gz TWRIBLFQBYIRHK-UHFFFAOYSA-N 1 0 367.493 4.531 50 0 FJAARO CC(C)COc1cccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000004990741 207069880 /nfs/dbraw/zinc/06/98/80/207069880.db2.gz DKLCOIRSADNPQN-UHFFFAOYSA-N 1 0 366.505 4.960 50 0 FJAARO CCCC[N@H+](CC)CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005050914 207076230 /nfs/dbraw/zinc/07/62/30/207076230.db2.gz HKEQUIGLRFPHJU-UHFFFAOYSA-N 1 0 372.534 4.549 50 0 FJAARO C[NH+](C)C[C@@H]1CCCC[C@@H]1OC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000005573826 207106133 /nfs/dbraw/zinc/10/61/33/207106133.db2.gz MLUKYQZFCRKVSG-PMGRVEHTSA-N 1 0 356.293 4.670 50 0 FJAARO CCOc1ccc(C(=O)[C@H](C[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000005718695 207113960 /nfs/dbraw/zinc/11/39/60/207113960.db2.gz FJJMGJUYIRDJOQ-JOCHJYFZSA-N 1 0 351.490 4.928 50 0 FJAARO Fc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)cc1 ZINC000005757315 207115794 /nfs/dbraw/zinc/11/57/94/207115794.db2.gz XNMDWXLSTZVJFR-UHFFFAOYSA-N 1 0 362.452 4.581 50 0 FJAARO COc1ccc([C@@H]2[NH2+]Cc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000005759757 207116665 /nfs/dbraw/zinc/11/66/65/207116665.db2.gz YBWUFNOXFGTPPO-FQEVSTJZSA-N 1 0 350.487 4.619 50 0 FJAARO CC(C)[NH+]1CCC(Nc2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000006998621 207183459 /nfs/dbraw/zinc/18/34/59/207183459.db2.gz SGPLCZZRNMNTMJ-UHFFFAOYSA-N 1 0 352.507 4.643 50 0 FJAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccccc1 ZINC000008244084 207224537 /nfs/dbraw/zinc/22/45/37/207224537.db2.gz GXRHKVSLMXCSIW-LJQANCHMSA-N 1 0 372.512 4.929 50 0 FJAARO C[NH+](C)CCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008373868 207231299 /nfs/dbraw/zinc/23/12/99/207231299.db2.gz QKXPOLCGSPTCRV-UHFFFAOYSA-N 1 0 367.320 4.614 50 0 FJAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008750079 207247052 /nfs/dbraw/zinc/24/70/52/207247052.db2.gz KBTNVNIEPJHVFE-TVGZPFHWSA-N 1 0 366.549 4.617 50 0 FJAARO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010139654 207295581 /nfs/dbraw/zinc/29/55/81/207295581.db2.gz KBRVTWONTIZWQC-UHFFFAOYSA-N 1 0 361.489 4.603 50 0 FJAARO Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCCn1cccn1 ZINC000011945283 207330430 /nfs/dbraw/zinc/33/04/30/207330430.db2.gz GBUVNQBCXRVLFU-XMMPIXPASA-N 1 0 370.500 4.711 50 0 FJAARO COC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000011935397 207330854 /nfs/dbraw/zinc/33/08/54/207330854.db2.gz HKGKYAXVKVCKHH-GOSISDBHSA-N 1 0 361.489 4.602 50 0 FJAARO Cc1nc2cc(NC(=O)[C@H]3CC34CC[NH+](CC(C)(C)C)CC4)ccc2s1 ZINC000012041175 207333860 /nfs/dbraw/zinc/33/38/60/207333860.db2.gz XBAUTSVRYHIMJI-MRXNPFEDSA-N 1 0 371.550 4.691 50 0 FJAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3cccc(SC)c3)c2C)cc1 ZINC000011842737 207325658 /nfs/dbraw/zinc/32/56/58/207325658.db2.gz PGKGNPCOSAZLMJ-OAHLLOKOSA-N 1 0 367.518 4.762 50 0 FJAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000011879373 207328111 /nfs/dbraw/zinc/32/81/11/207328111.db2.gz UCHPXRXBGADQOU-SFHVURJKSA-N 1 0 366.486 4.859 50 0 FJAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)cc1 ZINC000012154655 207343719 /nfs/dbraw/zinc/34/37/19/207343719.db2.gz GVGUBYJKLHGXNO-FQEVSTJZSA-N 1 0 361.489 4.773 50 0 FJAARO C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2c(NCc2cccs2)n1 ZINC000012135165 207341224 /nfs/dbraw/zinc/34/12/24/207341224.db2.gz RUEXPPPCZVZYHO-OAHLLOKOSA-N 1 0 352.507 4.678 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)cc1F ZINC000012151218 207343619 /nfs/dbraw/zinc/34/36/19/207343619.db2.gz UVADPZQJHLGRKV-RDJZCZTQSA-N 1 0 357.448 4.891 50 0 FJAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000012455875 207380251 /nfs/dbraw/zinc/38/02/51/207380251.db2.gz KQIOSOZPMKCJSN-SFHVURJKSA-N 1 0 355.482 4.876 50 0 FJAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)C2(C)CCCCC2)C1 ZINC000012592557 207397329 /nfs/dbraw/zinc/39/73/29/207397329.db2.gz HKXGXFJKFNMZCF-OAQYLSRUSA-N 1 0 370.581 4.678 50 0 FJAARO C[NH+](C)[C@H](CNC(=O)C1(Cc2ccccc2)CCCCC1)c1cccs1 ZINC000012948283 207441282 /nfs/dbraw/zinc/44/12/82/207441282.db2.gz CGXKGFJPWBDWNY-LJQANCHMSA-N 1 0 370.562 4.660 50 0 FJAARO COCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013722330 207479381 /nfs/dbraw/zinc/47/93/81/207479381.db2.gz GMOCUVALASRBHF-UHFFFAOYSA-N 1 0 354.277 4.699 50 0 FJAARO CCCCOCCC[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000013719938 207478683 /nfs/dbraw/zinc/47/86/83/207478683.db2.gz PYZLIBHOOKVYTC-UHFFFAOYSA-N 1 0 371.521 4.879 50 0 FJAARO COc1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1OCc1cccnc1 ZINC000030543947 208003200 /nfs/dbraw/zinc/00/32/00/208003200.db2.gz AUWVOGJMPZSHDS-QFIPXVFZSA-N 1 0 374.484 4.836 50 0 FJAARO C[C@@H](c1ccccc1)[N@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000032937453 208060259 /nfs/dbraw/zinc/06/02/59/208060259.db2.gz RVMBQMFUNIBPPN-XMHCIUCPSA-N 1 0 356.318 4.794 50 0 FJAARO CC(C)C(=O)N(c1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034682482 208105310 /nfs/dbraw/zinc/10/53/10/208105310.db2.gz VBQBECMDHYGPDR-UHFFFAOYSA-N 1 0 370.924 4.994 50 0 FJAARO Cc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000034682548 208105490 /nfs/dbraw/zinc/10/54/90/208105490.db2.gz IHPKTJFQHZXHAP-UHFFFAOYSA-N 1 0 374.484 4.899 50 0 FJAARO C[C@@H]1CCC[C@H]([NH2+][C@@H]2C3=C(CCCC3)C(=O)N2Cc2ccccc2)[C@@H]1C ZINC000036075253 208143466 /nfs/dbraw/zinc/14/34/66/208143466.db2.gz RROFHMUQHXNYJT-YAKVFXAGSA-N 1 0 352.522 4.640 50 0 FJAARO c1cnn(-c2ccc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4s3)cc2)c1 ZINC000037122291 208176423 /nfs/dbraw/zinc/17/64/23/208176423.db2.gz YHUQJBMDOLTRRG-IBGZPJMESA-N 1 0 360.486 4.819 50 0 FJAARO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000037201845 208179083 /nfs/dbraw/zinc/17/90/83/208179083.db2.gz SCZBBBNRXJPTBF-HSZRJFAPSA-N 1 0 374.484 4.516 50 0 FJAARO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037559960 208183200 /nfs/dbraw/zinc/18/32/00/208183200.db2.gz SBTIOTLIGONJIO-UHFFFAOYSA-N 1 0 372.459 4.763 50 0 FJAARO CCOc1cc(C[NH2+][C@H](C)c2ccncc2)ccc1OCc1ccccc1 ZINC000039976535 208216591 /nfs/dbraw/zinc/21/65/91/208216591.db2.gz XEMSHSXDFVJKDC-GOSISDBHSA-N 1 0 362.473 4.910 50 0 FJAARO CCCCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1C ZINC000040722339 208263191 /nfs/dbraw/zinc/26/31/91/208263191.db2.gz RRGNOMLPAKQHMX-UHFFFAOYSA-N 1 0 371.521 4.879 50 0 FJAARO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)cc(Cl)c1OC(C)C ZINC000040729279 208264703 /nfs/dbraw/zinc/26/47/03/208264703.db2.gz PBOVILJKQHEKMX-UHFFFAOYSA-N 1 0 363.885 4.824 50 0 FJAARO CC(C)Oc1ccc(C[NH2+]CCc2ccccc2F)cc1Br ZINC000040730911 208265093 /nfs/dbraw/zinc/26/50/93/208265093.db2.gz KHTFVQXYRSJOHF-UHFFFAOYSA-N 1 0 366.274 4.708 50 0 FJAARO Fc1cccc(Cl)c1COc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000040722870 208265766 /nfs/dbraw/zinc/26/57/66/208265766.db2.gz WYFHZMVYNRDHIX-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO COc1cc(Cl)cc(C[NH2+]CCc2c[nH]c3ccccc23)c1OC(C)C ZINC000040728364 208265886 /nfs/dbraw/zinc/26/58/86/208265886.db2.gz LLQNOPQZHUKUQX-UHFFFAOYSA-N 1 0 372.896 4.949 50 0 FJAARO OCCC[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040743773 208267263 /nfs/dbraw/zinc/26/72/63/208267263.db2.gz OUQHVJGKMKKHQD-UHFFFAOYSA-N 1 0 373.855 4.683 50 0 FJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1cccc(OC2CCCC2)c1 ZINC000019874472 220303470 /nfs/dbraw/zinc/30/34/70/220303470.db2.gz HVGIUGFHIKEJRF-JOCHJYFZSA-N 1 0 362.473 4.733 50 0 FJAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000020594950 220334930 /nfs/dbraw/zinc/33/49/30/220334930.db2.gz CMUPYGJONCRICR-UHFFFAOYSA-N 1 0 370.541 4.807 50 0 FJAARO CC(C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000020856726 220342458 /nfs/dbraw/zinc/34/24/58/220342458.db2.gz NUVDKAIHOWIXET-OAHLLOKOSA-N 1 0 351.416 4.931 50 0 FJAARO COc1cc2c(cc1OC)[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC2 ZINC000066345755 208697381 /nfs/dbraw/zinc/69/73/81/208697381.db2.gz YDSAXZXFUOAJSV-KRWDZBQOSA-N 1 0 365.395 4.542 50 0 FJAARO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2CC)cc1OC ZINC000021720867 220364579 /nfs/dbraw/zinc/36/45/79/220364579.db2.gz UYUDTDQMLAPIAV-QGZVFWFLSA-N 1 0 358.482 4.680 50 0 FJAARO Cc1ccc(C)c(NC(=O)N2CCC(C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000021718137 220365150 /nfs/dbraw/zinc/36/51/50/220365150.db2.gz ZQQUTVRSOCIZIK-QZTJIDSGSA-N 1 0 357.542 4.525 50 0 FJAARO Cc1[nH]c2ccc(C)cc2c1[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000021793231 220367899 /nfs/dbraw/zinc/36/78/99/220367899.db2.gz NWBCGGHNRCPGFJ-HSZRJFAPSA-N 1 0 362.517 4.773 50 0 FJAARO CCc1cccc2c(C[NH2+]C[C@H](c3cccs3)N3CCCC3)c[nH]c21 ZINC000022753879 220397727 /nfs/dbraw/zinc/39/77/27/220397727.db2.gz HESDKZQYBYCBHJ-LJQANCHMSA-N 1 0 353.535 4.719 50 0 FJAARO CC[NH2+]Cc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000040739871 208972010 /nfs/dbraw/zinc/97/20/10/208972010.db2.gz ICZDXZMETVQHMJ-UHFFFAOYSA-N 1 0 354.675 4.791 50 0 FJAARO CC(C)[NH+](CCNc1nnc(-c2ccc(F)cc2)c2ccccc21)C(C)C ZINC000033010826 220708384 /nfs/dbraw/zinc/70/83/84/220708384.db2.gz JHCXDBCNGOGUMJ-UHFFFAOYSA-N 1 0 366.484 4.967 50 0 FJAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000033023425 220710854 /nfs/dbraw/zinc/71/08/54/220710854.db2.gz SSLAIJYSEUCZNS-UHFFFAOYSA-N 1 0 368.443 4.624 50 0 FJAARO CCOc1cc(C[NH2+]C(C)C)ccc1OCc1c(F)cccc1Cl ZINC000040737446 220919592 /nfs/dbraw/zinc/91/95/92/220919592.db2.gz MSISVPBPJFEFTN-UHFFFAOYSA-N 1 0 351.849 4.955 50 0 FJAARO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C)cc3)n2)c1 ZINC000048309157 221006279 /nfs/dbraw/zinc/00/62/79/221006279.db2.gz XTPPPNXSWFOKPC-OAQYLSRUSA-N 1 0 362.473 4.866 50 0 FJAARO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc(C)cc3)n2)c1 ZINC000048309159 221007095 /nfs/dbraw/zinc/00/70/95/221007095.db2.gz XTPPPNXSWFOKPC-NRFANRHFSA-N 1 0 362.473 4.866 50 0 FJAARO Clc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)c2c(c1)COCO2 ZINC000049580952 221026049 /nfs/dbraw/zinc/02/60/49/221026049.db2.gz OAJJWUYIGXBTNS-UHFFFAOYSA-N 1 0 357.881 4.661 50 0 FJAARO Fc1ccc(C[N@H+](Cc2ccncc2)Cc2cccc(-n3cccn3)c2)cc1 ZINC000055270354 221064913 /nfs/dbraw/zinc/06/49/13/221064913.db2.gz UKVRCPBYXOMRRP-UHFFFAOYSA-N 1 0 372.447 4.609 50 0 FJAARO Cc1nc2scc(-c3cccs3)c2c(NC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000058183239 221104454 /nfs/dbraw/zinc/10/44/54/221104454.db2.gz XQOFBOMYPJCWMF-AWEZNQCLSA-N 1 0 372.563 4.870 50 0 FJAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)c(C)cc23)c1 ZINC000057483945 221089308 /nfs/dbraw/zinc/08/93/08/221089308.db2.gz QOKQYPPQUAMAII-OAQYLSRUSA-N 1 0 363.457 4.756 50 0 FJAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)CC(C)C ZINC000058828343 221123819 /nfs/dbraw/zinc/12/38/19/221123819.db2.gz YTKDVRJNNFTUBQ-AWEZNQCLSA-N 1 0 359.436 4.583 50 0 FJAARO C[NH+](C)Cc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000058345373 221115035 /nfs/dbraw/zinc/11/50/35/221115035.db2.gz MFAWIFLTKAJYJZ-UHFFFAOYSA-N 1 0 356.897 4.852 50 0 FJAARO Clc1ccccc1-c1cc(C2CC[NH+](Cc3cccnc3)CC2)[nH]n1 ZINC000067588403 221260641 /nfs/dbraw/zinc/26/06/41/221260641.db2.gz APDONXUKETXPTD-UHFFFAOYSA-N 1 0 352.869 4.505 50 0 FJAARO CC(C)C1CC[NH+](Cc2ccccc2-c2nc(C3CCC3)cc(=O)[nH]2)CC1 ZINC000067712876 221273969 /nfs/dbraw/zinc/27/39/69/221273969.db2.gz ZKFZORCITHWZNB-UHFFFAOYSA-N 1 0 365.521 4.572 50 0 FJAARO Cc1c(C[N@@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)cnn1C ZINC000071755014 221364736 /nfs/dbraw/zinc/36/47/36/221364736.db2.gz PSKJJZKRTPTRKB-INIZCTEOSA-N 1 0 365.443 4.592 50 0 FJAARO COc1cc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)ccc1O ZINC000071776537 221375069 /nfs/dbraw/zinc/37/50/69/221375069.db2.gz ZZPODXSRTODJKZ-OAHLLOKOSA-N 1 0 361.432 4.524 50 0 FJAARO Clc1ccc2c(c1)nccc2N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096634874 132225686 /nfs/dbraw/zinc/22/56/86/132225686.db2.gz WVAZDBQWWIYDKI-DAXSKMNVSA-N 1 0 363.892 4.724 50 0 FJAARO Cc1ccc2[nH+]c3c(c(Nc4ccc(N5CCOCC5)cc4)c2c1)CCC3 ZINC000000947018 132252302 /nfs/dbraw/zinc/25/23/02/132252302.db2.gz BNUPOZBDGOSFTI-UHFFFAOYSA-N 1 0 359.473 4.612 50 0 FJAARO c1ccc(COc2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000001226243 132381331 /nfs/dbraw/zinc/38/13/31/132381331.db2.gz RFXVLSFYGBZYOT-UHFFFAOYSA-N 1 0 358.485 4.588 50 0 FJAARO Cc1ccccc1N1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004980832 132825700 /nfs/dbraw/zinc/82/57/00/132825700.db2.gz FTHDQEJSUJXSSY-UHFFFAOYSA-N 1 0 372.512 4.896 50 0 FJAARO c1ccc(COc2cccc(C[NH+]3CCN(c4ccccc4)CC3)c2)cc1 ZINC000055292091 136126434 /nfs/dbraw/zinc/12/64/34/136126434.db2.gz KEIRUANAOKQIJE-UHFFFAOYSA-N 1 0 358.485 4.588 50 0 FJAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c1 ZINC000055543497 136127087 /nfs/dbraw/zinc/12/70/87/136127087.db2.gz CVIYNLVHJXVVIA-UHFFFAOYSA-N 1 0 359.395 4.509 50 0 FJAARO CC(C)(C)CC(=O)N1CCC([NH2+]C2(c3ccccc3)CCCCC2)CC1 ZINC000097037751 222154600 /nfs/dbraw/zinc/15/46/00/222154600.db2.gz KMQSBJRGNDAKEP-UHFFFAOYSA-N 1 0 356.554 4.863 50 0 FJAARO C[C@H](c1ccc(C(=O)NCCCSc2ccccc2)o1)[NH+]1CCCCC1 ZINC000097797677 222214914 /nfs/dbraw/zinc/21/49/14/222214914.db2.gz YSZXSLOHAXCPGV-QGZVFWFLSA-N 1 0 372.534 4.739 50 0 FJAARO Clc1ccc(Cl)c(-c2ccc(C[NH2+]CCOc3ccccn3)o2)c1 ZINC000057354915 263412105 /nfs/dbraw/zinc/41/21/05/263412105.db2.gz JAYDASGWTLFEIH-UHFFFAOYSA-N 1 0 363.244 4.817 50 0 FJAARO Cc1cc(C)n(Cc2ccc(-c3ccc([C@@H](C)[NH+]4CCCC4)cc3)nc2)n1 ZINC000426719782 263663472 /nfs/dbraw/zinc/66/34/72/263663472.db2.gz CFJBTEPEPFKJTK-LJQANCHMSA-N 1 0 360.505 4.767 50 0 FJAARO CC(C)[NH+]1CCC(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000020549631 519672037 /nfs/dbraw/zinc/67/20/37/519672037.db2.gz ZOFVYLMMCVOILF-NRFANRHFSA-N 1 0 368.546 4.509 50 0 FJAARO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(F)cc2)cc1OC ZINC000020931549 520296881 /nfs/dbraw/zinc/29/68/81/520296881.db2.gz LHUOFVVEGZFCQP-UHFFFAOYSA-N 1 0 351.849 4.609 50 0 FJAARO CCCOc1c(Cl)cc(C[NH2+]Cc2ccc(F)cc2)cc1OCC ZINC000020932008 520297311 /nfs/dbraw/zinc/29/73/11/520297311.db2.gz KSNCYYKGOPTDTD-UHFFFAOYSA-N 1 0 351.849 4.956 50 0 FJAARO CCCOc1ccc(Br)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000020929337 520325827 /nfs/dbraw/zinc/32/58/27/520325827.db2.gz HAEJEXCNYUJKHY-UHFFFAOYSA-N 1 0 352.247 4.667 50 0 FJAARO CCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc(C)cc1 ZINC000020874401 520724744 /nfs/dbraw/zinc/72/47/44/520724744.db2.gz DJSWJQMYUXHRNW-UHFFFAOYSA-N 1 0 351.446 4.856 50 0 FJAARO CC1=C(C)[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)N([C@@H](C)CCc2ccccc2)C1=O ZINC000245253568 520840519 /nfs/dbraw/zinc/84/05/19/520840519.db2.gz HVPIHAPTVNHLJF-RBOGUZDDSA-N 1 0 368.565 4.927 50 0 FJAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccn(C(C)(C)C)c2)cc1 ZINC000082125405 521910335 /nfs/dbraw/zinc/91/03/35/521910335.db2.gz ZTCGBUWKDKPKQM-NRFANRHFSA-N 1 0 367.537 4.672 50 0 FJAARO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000089361400 523343173 /nfs/dbraw/zinc/34/31/73/523343173.db2.gz LOUCQVTUKCNBCM-UHFFFAOYSA-N 1 0 372.512 4.824 50 0 FJAARO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(C)cc2)cc1 ZINC000020873638 523976582 /nfs/dbraw/zinc/97/65/82/523976582.db2.gz HVIMKAXIMCYAGD-UHFFFAOYSA-N 1 0 361.485 4.915 50 0 FJAARO CC[C@H](C)[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876221 524004810 /nfs/dbraw/zinc/00/48/10/524004810.db2.gz ADSVBUKRAAYPSK-ZDUSSCGKSA-N 1 0 351.849 4.955 50 0 FJAARO C[C@H]1C[NH+](CCCCOc2cccc(Oc3ccccc3)c2)C[C@H](C)O1 ZINC000020168453 524588884 /nfs/dbraw/zinc/58/88/84/524588884.db2.gz SGTHCPWGCBTTQS-OALUTQOASA-N 1 0 355.478 4.747 50 0 FJAARO C[C@@H]1C[NH+](CCCCOc2ccc(Cl)cc2C(C)(C)C)C[C@@H](C)O1 ZINC000020166804 524945494 /nfs/dbraw/zinc/94/54/94/524945494.db2.gz HVDDKMIHPYAPGZ-HZPDHXFCSA-N 1 0 353.934 4.906 50 0 FJAARO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1)c1cccc(Br)c1 ZINC000078282218 525593456 /nfs/dbraw/zinc/59/34/56/525593456.db2.gz LYLIMNXRRNEDBX-UONOGXRCSA-N 1 0 361.283 4.517 50 0 FJAARO Fc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c1 ZINC000020293906 526379960 /nfs/dbraw/zinc/37/99/60/526379960.db2.gz SUUQGAMPRHWMAT-INIZCTEOSA-N 1 0 371.406 4.874 50 0 FJAARO c1ccc(Oc2cccc(CN3CC[NH+](C[C@@H]4CC=CCC4)CC3)c2)cc1 ZINC000019889687 526488167 /nfs/dbraw/zinc/48/81/67/526488167.db2.gz RCKJJKBCKGESQF-OAQYLSRUSA-N 1 0 362.517 4.953 50 0 FJAARO Cc1noc(C)c1NC(=O)c1ccc([C@@H]2CCC[N@H+]2C/C=C/C(C)C)s1 ZINC000020537105 526547369 /nfs/dbraw/zinc/54/73/69/526547369.db2.gz OCZKARXEBDLTQR-YERXGYGTSA-N 1 0 373.522 4.954 50 0 FJAARO c1csc(-c2noc(C[N@H+]3CCCC[C@@H]3CCc3ccccc3)n2)c1 ZINC000012585316 526575671 /nfs/dbraw/zinc/57/56/71/526575671.db2.gz WVSUSAKFWHBFHR-QGZVFWFLSA-N 1 0 353.491 4.785 50 0 FJAARO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000089517378 526928089 /nfs/dbraw/zinc/92/80/89/526928089.db2.gz OYTOMXNSICLWAG-KBXCAEBGSA-N 1 0 350.487 4.827 50 0 FJAARO O=C(NCCC1=CCCCC1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020138588 527626180 /nfs/dbraw/zinc/62/61/80/527626180.db2.gz BRSQWAUMOHGRDZ-UHFFFAOYSA-N 1 0 374.528 4.865 50 0 FJAARO COc1ccc2[nH+]c(C)cc(N3CCC(C(=O)c4ccccc4)CC3)c2c1 ZINC000048314838 537047975 /nfs/dbraw/zinc/04/79/75/537047975.db2.gz RXJGSAQFJJAUAR-UHFFFAOYSA-N 1 0 360.457 4.651 50 0 FJAARO COc1ccc(C[N@H+](C)Cc2ccc([C@H]3CCCCO3)o2)c2cccnc12 ZINC000216405644 568122051 /nfs/dbraw/zinc/12/20/51/568122051.db2.gz KKEQUIWOZMDUQV-LJQANCHMSA-N 1 0 366.461 4.710 50 0 FJAARO Clc1cc(Cl)c(OCCCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000022385616 568255058 /nfs/dbraw/zinc/25/50/58/568255058.db2.gz AJVGPPRFJPIDHP-UHFFFAOYSA-N 1 0 352.689 4.528 50 0 FJAARO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C)ccc1OCc1c(C)noc1C ZINC000022773737 568308640 /nfs/dbraw/zinc/30/86/40/568308640.db2.gz ZIKMGVKDGDHWAM-KUHUBIRLSA-N 1 0 358.482 4.547 50 0 FJAARO COc1ccc(Br)cc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000755527 570454940 /nfs/dbraw/zinc/45/49/40/570454940.db2.gz UYROPOBGQSUWKF-UHFFFAOYSA-N 1 0 374.322 4.912 50 0 FJAARO C[N@H+](Cc1ccccc1)C1CCN(Cc2cccc(Br)c2)CC1 ZINC000001166737 570486419 /nfs/dbraw/zinc/48/64/19/570486419.db2.gz NPENXYMJUZLDCD-UHFFFAOYSA-N 1 0 373.338 4.546 50 0 FJAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000001179508 570489124 /nfs/dbraw/zinc/48/91/24/570489124.db2.gz KNWZWAHQFWXQCQ-UHFFFAOYSA-N 1 0 372.512 4.677 50 0 FJAARO CC(C)(C)[C@]1(O)CC[N@@H+]2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 ZINC000002008410 570511484 /nfs/dbraw/zinc/51/14/84/570511484.db2.gz ZZJYIKPMDIWRSN-HWBMXIPRSA-N 1 0 361.529 4.845 50 0 in-man FJAARO COc1ccc(-c2nc(Nc3ccccc3)s[n+]2-c2ccccc2)cc1 ZINC000002686646 570527901 /nfs/dbraw/zinc/52/79/01/570527901.db2.gz VLXHXUIVBOJLGD-UHFFFAOYSA-O 1 0 360.462 4.839 50 0 FJAARO C[C@@H]1CCC[C@H]([NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000002735246 570528851 /nfs/dbraw/zinc/52/88/51/570528851.db2.gz SFOSMKKSCGZSAJ-XXBNENTESA-N 1 0 362.517 4.690 50 0 FJAARO Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000034682896 570532237 /nfs/dbraw/zinc/53/22/37/570532237.db2.gz APFGNWLFYOJOBX-UHFFFAOYSA-N 1 0 368.496 4.901 50 0 FJAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2)cc1 ZINC000002846292 570536663 /nfs/dbraw/zinc/53/66/63/570536663.db2.gz KHKOHMSVAJFFNX-UHFFFAOYSA-N 1 0 369.468 4.838 50 0 FJAARO CCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000002866155 570540372 /nfs/dbraw/zinc/54/03/72/570540372.db2.gz VSSAKZJKKCFDEN-UHFFFAOYSA-N 1 0 351.849 4.574 50 0 FJAARO Cc1ccc(-c2ccc(C[NH2+]CCCOc3ccccn3)o2)cc1Cl ZINC000113396676 570543926 /nfs/dbraw/zinc/54/39/26/570543926.db2.gz JJPCDBDSSLMZEU-UHFFFAOYSA-N 1 0 356.853 4.862 50 0 FJAARO Cc1ccccc1COc1ccccc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000113401437 570544425 /nfs/dbraw/zinc/54/44/25/570544425.db2.gz UDFLFEKENHANJD-UHFFFAOYSA-N 1 0 371.484 4.783 50 0 FJAARO C[S@](=O)c1ccc(C[NH2+]CC(C)(C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408513115 570563776 /nfs/dbraw/zinc/56/37/76/570563776.db2.gz VGHYYCFGKBAFBL-QHCPKHFHSA-N 1 0 370.345 4.798 50 0 FJAARO COc1cc(OC)c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1Br ZINC000004022267 570573131 /nfs/dbraw/zinc/57/31/31/570573131.db2.gz HTDDXJUOHOGXSM-CJNGLKHVSA-N 1 0 368.315 4.621 50 0 FJAARO CN(C(=O)OCc1ccccc1)[C@@H](C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000004289955 570583594 /nfs/dbraw/zinc/58/35/94/570583594.db2.gz NKFRUBGRRCMOOP-FQEVSTJZSA-N 1 0 372.896 4.746 50 0 FJAARO CC1=C[C@H](C)[C@H](CN(CCC[NH+](C)C)C(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000004670474 570600126 /nfs/dbraw/zinc/60/01/26/570600126.db2.gz BTSDULYOJUKWAH-ZJOUEHCJSA-N 1 0 357.542 4.711 50 0 FJAARO CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000011917284 570602073 /nfs/dbraw/zinc/60/20/73/570602073.db2.gz WTJXNKDVVORAQI-IBGZPJMESA-N 1 0 374.912 4.552 50 0 FJAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Br)c1 ZINC000004991000 570616643 /nfs/dbraw/zinc/61/66/43/570616643.db2.gz OKDGOSIKJZJDTQ-UHFFFAOYSA-N 1 0 373.294 4.687 50 0 FJAARO FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCCc1nc3ccccc3[nH]1)CCC2 ZINC000132669910 570618396 /nfs/dbraw/zinc/61/83/96/570618396.db2.gz FCVKLJNYECKALD-OAHLLOKOSA-N 1 0 374.410 4.577 50 0 FJAARO C[NH+](C)CCCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c21 ZINC000005345728 570649187 /nfs/dbraw/zinc/64/91/87/570649187.db2.gz KOUSBZMTRLNIFB-UHFFFAOYSA-N 1 0 372.472 4.920 50 0 FJAARO CCCC[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000007261651 570661890 /nfs/dbraw/zinc/66/18/90/570661890.db2.gz UEGFVYCEQGNWKS-UHFFFAOYSA-N 1 0 365.109 4.500 50 0 FJAARO CCCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000007261672 570662068 /nfs/dbraw/zinc/66/20/68/570662068.db2.gz IYVMFEVXVTXBBV-UHFFFAOYSA-N 1 0 351.849 4.956 50 0 FJAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000008325913 570680261 /nfs/dbraw/zinc/68/02/61/570680261.db2.gz NDPIKAANTMTUEH-CYBMUJFWSA-N 1 0 351.849 4.955 50 0 FJAARO CC[C@@H](CO)[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000008326254 570680269 /nfs/dbraw/zinc/68/02/69/570680269.db2.gz XQKURUITCVXKJN-SFHVURJKSA-N 1 0 369.892 4.933 50 0 FJAARO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCc1ccccc1F ZINC000008495689 570682515 /nfs/dbraw/zinc/68/25/15/570682515.db2.gz WRMIAVCOFONIAT-UHFFFAOYSA-N 1 0 369.411 4.842 50 0 FJAARO Clc1ccc([C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)C2CC2)cc1 ZINC000180011540 570688146 /nfs/dbraw/zinc/68/81/46/570688146.db2.gz KAOGYOMIMIKTEE-NRFANRHFSA-N 1 0 351.881 4.826 50 0 FJAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2ccccc2Cl)cc1F ZINC000011664180 570704817 /nfs/dbraw/zinc/70/48/17/570704817.db2.gz LXOJPRHLKHXCPE-GFCCVEGCSA-N 1 0 359.832 4.729 50 0 FJAARO COC[C@H](C)[NH2+]Cc1cc2ccc(C)cc2nc1-c1cccc(Cl)c1 ZINC000011790323 570707058 /nfs/dbraw/zinc/70/70/58/570707058.db2.gz VKHOQMDYBBQVDC-HNNXBMFYSA-N 1 0 354.881 4.988 50 0 FJAARO COc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)c2ccccc2SC)C1 ZINC000011872904 570710335 /nfs/dbraw/zinc/71/03/35/570710335.db2.gz RSAONVIUHFBLSA-QGZVFWFLSA-N 1 0 355.503 4.512 50 0 FJAARO COc1cccc(-c2nc(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)c(C)o2)c1OC ZINC000012091988 570718235 /nfs/dbraw/zinc/71/82/35/570718235.db2.gz YFQJCRWPWPQCEV-IRXDYDNUSA-N 1 0 370.493 4.679 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)c(F)c1 ZINC000012242425 570731009 /nfs/dbraw/zinc/73/10/09/570731009.db2.gz XIOQELYSBBYAKV-JKSUJKDBSA-N 1 0 357.448 4.891 50 0 FJAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)c(F)c1 ZINC000012242426 570731023 /nfs/dbraw/zinc/73/10/23/570731023.db2.gz XIOQELYSBBYAKV-HOTGVXAUSA-N 1 0 357.448 4.891 50 0 FJAARO COc1cccc([C@H](C)[N@H+](C)Cc2cn(C)nc2-c2cccc(Cl)c2)c1 ZINC000012297828 570732845 /nfs/dbraw/zinc/73/28/45/570732845.db2.gz HFDACSASWWRGKT-HNNXBMFYSA-N 1 0 369.896 4.942 50 0 FJAARO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012305073 570734801 /nfs/dbraw/zinc/73/48/01/570734801.db2.gz DNTGSFAWVLLJCK-QFIPXVFZSA-N 1 0 356.469 4.844 50 0 FJAARO CCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)c1C ZINC000012441908 570746115 /nfs/dbraw/zinc/74/61/15/570746115.db2.gz URKWGAOENROFBU-LJQANCHMSA-N 1 0 367.537 4.604 50 0 FJAARO Cc1c([C@H](C)[NH2+]Cc2cccc(O)c2)cnn1-c1cccc2ccccc21 ZINC000012468412 570748259 /nfs/dbraw/zinc/74/82/59/570748259.db2.gz DEPZZGYRLLWCHC-INIZCTEOSA-N 1 0 357.457 4.890 50 0 FJAARO CCCCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000013719543 570786435 /nfs/dbraw/zinc/78/64/35/570786435.db2.gz XPNIZYNNVKRHGF-UHFFFAOYSA-N 1 0 357.494 4.571 50 0 FJAARO COCCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000013722428 570786843 /nfs/dbraw/zinc/78/68/43/570786843.db2.gz ZEUIQFSSZMNXEA-UHFFFAOYSA-N 1 0 353.437 4.684 50 0 FJAARO CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000007262308 570789960 /nfs/dbraw/zinc/78/99/60/570789960.db2.gz FFMQQEUVPFNZBZ-UHFFFAOYSA-N 1 0 364.283 4.536 50 0 FJAARO CCOc1c(Br)cc(C[NH2+][C@@H](C)c2ccccc2)cc1OC ZINC000008253361 570794174 /nfs/dbraw/zinc/79/41/74/570794174.db2.gz IUVSZMDMVGBGNC-ZDUSSCGKSA-N 1 0 364.283 4.707 50 0 FJAARO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H](C)c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000014137085 570807847 /nfs/dbraw/zinc/80/78/47/570807847.db2.gz BQKLUWSPPHHPNO-QWRGUYRKSA-N 1 0 361.898 4.667 50 0 FJAARO C[C@H]([NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccs1 ZINC000014197868 570812371 /nfs/dbraw/zinc/81/23/71/570812371.db2.gz CRRICWGIKOATBD-ZDUSSCGKSA-N 1 0 374.893 4.629 50 0 FJAARO CCc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1 ZINC000004555328 570834059 /nfs/dbraw/zinc/83/40/59/570834059.db2.gz QJJAKYLKEIFYTC-GOSISDBHSA-N 1 0 355.507 4.506 50 0 FJAARO CSc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1 ZINC000004555310 570834211 /nfs/dbraw/zinc/83/42/11/570834211.db2.gz FZDQLWKDVWVBJU-QGZVFWFLSA-N 1 0 373.547 4.665 50 0 FJAARO COc1ccc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1F ZINC000032900669 570839134 /nfs/dbraw/zinc/83/91/34/570839134.db2.gz AWIPMNBOKVQETJ-UHFFFAOYSA-N 1 0 370.468 4.851 50 0 FJAARO C[NH+](C)[C@H](CNC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000016381838 570855387 /nfs/dbraw/zinc/85/53/87/570855387.db2.gz PFYOGWMHUOBLBC-CYBMUJFWSA-N 1 0 374.362 4.644 50 0 FJAARO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000016449954 570856710 /nfs/dbraw/zinc/85/67/10/570856710.db2.gz GMDYYQSQBJXFRT-QGZVFWFLSA-N 1 0 366.288 4.841 50 0 FJAARO N#C/C(=C\C=C1C=CN(Cc2ccccc2)C=C1)C(=O)Nc1ccccc1 ZINC000000988856 570878468 /nfs/dbraw/zinc/87/84/68/570878468.db2.gz OKOWSVJXWZBFKM-CIAFOILYSA-N 1 0 353.425 4.545 50 0 FJAARO CCN(Cc1nc2ccccc2s1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000060197794 570881153 /nfs/dbraw/zinc/88/11/53/570881153.db2.gz FGWKVWAHBHICAB-HKUYNNGSSA-N 1 0 365.546 4.954 50 0 FJAARO COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc12 ZINC000019635026 570896218 /nfs/dbraw/zinc/89/62/18/570896218.db2.gz NYEVQQUSTIHWPG-UHFFFAOYSA-N 1 0 366.892 4.824 50 0 FJAARO CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C(F)(F)F)c1)[NH2+]CC2 ZINC000020506871 570918694 /nfs/dbraw/zinc/91/86/94/570918694.db2.gz GIAAWMMXZKYCJX-LJQANCHMSA-N 1 0 365.395 4.738 50 0 FJAARO COc1cc(Br)cc(C[NH2+]C2CCCCCCC2)c1OC ZINC000020933867 570927151 /nfs/dbraw/zinc/92/71/51/570927151.db2.gz ULRSSWOAUXJMEP-UHFFFAOYSA-N 1 0 356.304 4.669 50 0 FJAARO O=C(Cc1cccc2ccccc21)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021170496 570928978 /nfs/dbraw/zinc/92/89/78/570928978.db2.gz RCUHRLGFHXOUHH-QFIPXVFZSA-N 1 0 364.533 4.639 50 0 FJAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000021720814 570933823 /nfs/dbraw/zinc/93/38/23/570933823.db2.gz ANDDFFVAQPJWJP-SFHVURJKSA-N 1 0 350.466 4.581 50 0 FJAARO CC[C@H](C)[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000005061683 570934980 /nfs/dbraw/zinc/93/49/80/570934980.db2.gz CRSBMRJNJIXPFW-SWLSCSKDSA-N 1 0 365.304 4.850 50 0 FJAARO CC[NH+](CC)CCN(C(=O)c1ccc(C)cc1)c1nc2ccccc2s1 ZINC000005239761 570935382 /nfs/dbraw/zinc/93/53/82/570935382.db2.gz PZWVIEMZCWEUHL-UHFFFAOYSA-N 1 0 367.518 4.593 50 0 FJAARO CC1CC[NH+]([C@H](CNC(=O)c2ccccc2Cl)c2cccs2)CC1 ZINC000022680795 570948109 /nfs/dbraw/zinc/94/81/09/570948109.db2.gz ASZOKRSUXYTOHW-QGZVFWFLSA-N 1 0 362.926 4.605 50 0 FJAARO CCCC[NH+](CCCC)CCSCC(=O)Nc1ccccc1Cl ZINC000048522922 570954929 /nfs/dbraw/zinc/95/49/29/570954929.db2.gz CXCLAQTYTIFWIG-UHFFFAOYSA-N 1 0 356.963 4.914 50 0 FJAARO Cc1ccccc1-c1cccc(N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)c1 ZINC000023368111 570962093 /nfs/dbraw/zinc/96/20/93/570962093.db2.gz HKAULDVXNZREEO-FQEVSTJZSA-N 1 0 364.533 4.647 50 0 FJAARO Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCCCC2)cc1 ZINC000027584314 571015173 /nfs/dbraw/zinc/01/51/73/571015173.db2.gz VEVXNJDDKILSHU-JOCHJYFZSA-N 1 0 350.506 4.651 50 0 FJAARO CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027662463 571017251 /nfs/dbraw/zinc/01/72/51/571017251.db2.gz KLOLNFLYYVPKNS-SFHVURJKSA-N 1 0 356.535 4.613 50 0 FJAARO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000027782633 571021208 /nfs/dbraw/zinc/02/12/08/571021208.db2.gz GTISVVVUIWFVSP-NOCBQHASSA-N 1 0 351.494 4.946 50 0 FJAARO Clc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1 ZINC000028428026 571032150 /nfs/dbraw/zinc/03/21/50/571032150.db2.gz DTRQWUCVWNDBGL-MRXNPFEDSA-N 1 0 366.288 4.841 50 0 FJAARO FC(F)(F)[C@@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000029118815 571036894 /nfs/dbraw/zinc/03/68/94/571036894.db2.gz NBSUTKVDXVVSSV-MRXNPFEDSA-N 1 0 359.395 4.776 50 0 FJAARO Cc1ccc(Cl)c(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c1Cl ZINC000029482951 571039950 /nfs/dbraw/zinc/03/99/50/571039950.db2.gz DICBQRJOAHGLJV-INIZCTEOSA-N 1 0 363.288 4.860 50 0 FJAARO C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCc2ccccc21 ZINC000029483805 571040510 /nfs/dbraw/zinc/04/05/10/571040510.db2.gz NWNLBXIHYPINLX-QHCPKHFHSA-N 1 0 356.469 4.911 50 0 FJAARO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)c1ccc2ccccc2c1 ZINC000029485712 571041046 /nfs/dbraw/zinc/04/10/46/571041046.db2.gz VDAIFANXYRXOQG-GAJHUEQPSA-N 1 0 358.485 4.636 50 0 FJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1ccnc(OCC2CC2)c1 ZINC000225509658 571041690 /nfs/dbraw/zinc/04/16/90/571041690.db2.gz SEWDQECOHFHEGX-NRFANRHFSA-N 1 0 361.489 4.827 50 0 FJAARO CC(C)[NH2+]CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000008344757 571041875 /nfs/dbraw/zinc/04/18/75/571041875.db2.gz DXOJZXOQFUWGJE-HSZRJFAPSA-N 1 0 371.484 4.516 50 0 FJAARO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(Br)cc1 ZINC000012673054 571043178 /nfs/dbraw/zinc/04/31/78/571043178.db2.gz ZPANNUMIMZUMEQ-UGSOOPFHSA-N 1 0 373.294 4.517 50 0 FJAARO C[C@@H](Nc1nc(C(F)F)nc2ccccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000225532850 571043602 /nfs/dbraw/zinc/04/36/02/571043602.db2.gz GWRUGJNTCLOKQC-DYVFJYSZSA-N 1 0 356.420 4.671 50 0 FJAARO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000012676500 571043858 /nfs/dbraw/zinc/04/38/58/571043858.db2.gz PEGSMEXVVIIRRN-FZKQIMNGSA-N 1 0 373.294 4.517 50 0 FJAARO COc1ccc([C@H](O)[C@@H](C[NH+]2CCCCCC2)c2ccccc2)cc1F ZINC000001250080 571044720 /nfs/dbraw/zinc/04/47/20/571044720.db2.gz DUCPMFSDYMOYQG-UGKGYDQZSA-N 1 0 357.469 4.528 50 0 FJAARO CC(C)n1c(CC[NH2+]Cc2ccccc2Br)nc2ccccc21 ZINC000072289952 571045114 /nfs/dbraw/zinc/04/51/14/571045114.db2.gz HJQWBVKIJQHYQP-UHFFFAOYSA-N 1 0 372.310 4.712 50 0 FJAARO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc2ccccc21 ZINC000015445961 571048263 /nfs/dbraw/zinc/04/82/63/571048263.db2.gz JLPWIRKHZQJNMW-UHFFFAOYSA-N 1 0 372.390 4.929 50 0 FJAARO c1cn(Cc2ccccc2C[NH2+]Cc2ccc(-c3ccccc3)cc2)cn1 ZINC000030651708 571048837 /nfs/dbraw/zinc/04/88/37/571048837.db2.gz BUSQZPTVZUUFIW-UHFFFAOYSA-N 1 0 353.469 4.888 50 0 FJAARO Fc1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cn3ccnc3)o2)cc1 ZINC000030651984 571048884 /nfs/dbraw/zinc/04/88/84/571048884.db2.gz RRMMRKDXJPCYAQ-UHFFFAOYSA-N 1 0 361.420 4.620 50 0 FJAARO CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1 ZINC000008613183 571052642 /nfs/dbraw/zinc/05/26/42/571052642.db2.gz KJBNPDHVQMIBAD-OAQYLSRUSA-N 1 0 356.554 4.855 50 0 FJAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3CC)c(=O)c2c1 ZINC000008717333 571057073 /nfs/dbraw/zinc/05/70/73/571057073.db2.gz UUBLOMGJMUOWRT-QGZVFWFLSA-N 1 0 370.493 4.580 50 0 FJAARO CCCc1ccc(OCC[N@@H+]2CCCC[C@H]2c2cccnc2)c(OC)c1 ZINC000008739201 571058595 /nfs/dbraw/zinc/05/85/95/571058595.db2.gz ALSNXLQLDUXAAR-FQEVSTJZSA-N 1 0 354.494 4.649 50 0 FJAARO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cccc(OC)c2OC)cc1 ZINC000033087256 571062426 /nfs/dbraw/zinc/06/24/26/571062426.db2.gz KUTYQXGHOOTIAF-FQEVSTJZSA-N 1 0 355.478 4.830 50 0 FJAARO Brc1ccc(CNCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000039792982 571065721 /nfs/dbraw/zinc/06/57/21/571065721.db2.gz XNOOHFIBXNCRHC-UHFFFAOYSA-N 1 0 365.359 4.728 50 0 FJAARO Cc1cc2c(cc1C)[C@@H](N(Cc1nnc(C(C)C)o1)C1CC1)CCCO2 ZINC000072309434 571067913 /nfs/dbraw/zinc/06/79/13/571067913.db2.gz JOUOFEMHCFAGNJ-SFHVURJKSA-N 1 0 355.482 4.688 50 0 FJAARO CCc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(CC)cc2)on1 ZINC000035511256 571076833 /nfs/dbraw/zinc/07/68/33/571076833.db2.gz XCTPFPLBWKEAIR-IBGZPJMESA-N 1 0 350.466 4.527 50 0 FJAARO Cc1oc(C)c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1C ZINC000040112349 571079404 /nfs/dbraw/zinc/07/94/04/571079404.db2.gz TUSOMGPHITXIJE-OAHLLOKOSA-N 1 0 354.494 4.509 50 0 FJAARO COc1ccc(-c2nnc(C[N@H+](Cc3ccccc3)[C@@H](C)C3CC3)o2)cc1 ZINC000040120224 571080621 /nfs/dbraw/zinc/08/06/21/571080621.db2.gz ZDVZAHGOPDFEDQ-INIZCTEOSA-N 1 0 363.461 4.546 50 0 FJAARO CC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000038858402 571088386 /nfs/dbraw/zinc/08/83/86/571088386.db2.gz PPCREUSPRYUMPW-UHFFFAOYSA-N 1 0 350.462 4.518 50 0 FJAARO CC(C)Oc1ccccc1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000060300615 571089378 /nfs/dbraw/zinc/08/93/78/571089378.db2.gz SQALKJNQURQLIC-UHFFFAOYSA-N 1 0 366.505 4.641 50 0 FJAARO Fc1ccc(COc2ccc(C[NH2+]Cc3cccnc3)cc2)c(Cl)c1 ZINC000040722807 571093136 /nfs/dbraw/zinc/09/31/36/571093136.db2.gz QSKWEVYCDHZARG-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO COc1cccc(C[NH2+]Cc2cccs2)c1OCc1ccccc1C ZINC000040722309 571093143 /nfs/dbraw/zinc/09/31/43/571093143.db2.gz SQBUTPRKWMBJFZ-UHFFFAOYSA-N 1 0 353.487 4.934 50 0 FJAARO Fc1ccc(COc2ccc(C[NH2+]Cc3ccncc3)cc2)c(Cl)c1 ZINC000040722842 571093193 /nfs/dbraw/zinc/09/31/93/571093193.db2.gz JCUXXIFXAWHGOC-UHFFFAOYSA-N 1 0 356.828 4.743 50 0 FJAARO Cc1cccc(COc2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)c1 ZINC000040722637 571093266 /nfs/dbraw/zinc/09/32/66/571093266.db2.gz LRRARSATYGSALF-UHFFFAOYSA-N 1 0 361.441 4.593 50 0 FJAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000044934880 571105181 /nfs/dbraw/zinc/10/51/81/571105181.db2.gz FYXSMMFCPCWSHA-HXUWFJFHSA-N 1 0 364.533 4.701 50 0 FJAARO Cc1c(Cl)cccc1NC(=O)CC[N@@H+](C)Cc1cc2cc(F)ccc2[nH]1 ZINC000244641204 571113929 /nfs/dbraw/zinc/11/39/29/571113929.db2.gz GLHBWXWNUVNUOY-UHFFFAOYSA-N 1 0 373.859 4.729 50 0 FJAARO C[N@H+](Cc1ccccc1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000054991839 571115205 /nfs/dbraw/zinc/11/52/05/571115205.db2.gz XAFPHMRYPYEZPB-UHFFFAOYSA-N 1 0 373.338 4.546 50 0 FJAARO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2CCC ZINC000009942395 571121293 /nfs/dbraw/zinc/12/12/93/571121293.db2.gz LJIPUWVDBPXEAZ-UHFFFAOYSA-N 1 0 370.541 4.951 50 0 FJAARO c1c(C[NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccccc1 ZINC000248089814 571127591 /nfs/dbraw/zinc/12/75/91/571127591.db2.gz FHNSKSFZPABMEN-UHFFFAOYSA-N 1 0 370.452 4.708 50 0 FJAARO c1ccc(Cn2nc(C[NH2+]CCC3=CCCCC3)c(-c3ccccc3)n2)cc1 ZINC000248104666 571127926 /nfs/dbraw/zinc/12/79/26/571127926.db2.gz KXOSCNOGRQQPGM-UHFFFAOYSA-N 1 0 372.516 4.974 50 0 FJAARO Cc1ccccc1Cn1cc(C[NH2+]CCOc2ccccn2)c2ccccc21 ZINC000248145961 571127937 /nfs/dbraw/zinc/12/79/37/571127937.db2.gz HSBPFAYGMPQZHX-UHFFFAOYSA-N 1 0 371.484 4.562 50 0 FJAARO Cc1ccccc1Cn1cc(C[NH2+]CCCOC(C)C)c2ccccc21 ZINC000248143752 571127940 /nfs/dbraw/zinc/12/79/40/571127940.db2.gz GQAHDRBDLRKVHK-UHFFFAOYSA-N 1 0 350.506 4.903 50 0 FJAARO CC(C)(C)[NH2+]Cc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000248210361 571128365 /nfs/dbraw/zinc/12/83/65/571128365.db2.gz CWYFDJLTKFVDOI-UHFFFAOYSA-N 1 0 372.875 4.674 50 0 FJAARO CCCCCC[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248268386 571128523 /nfs/dbraw/zinc/12/85/23/571128523.db2.gz PFBFXEBDZYGCMK-UHFFFAOYSA-N 1 0 366.484 4.802 50 0 FJAARO CC[C@H](C)[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248255232 571128683 /nfs/dbraw/zinc/12/86/83/571128683.db2.gz UKOMQEPEHRBGRT-HNNXBMFYSA-N 1 0 354.885 4.535 50 0 FJAARO CCN(CC)CC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248235742 571128694 /nfs/dbraw/zinc/12/86/94/571128694.db2.gz DKGMMBUFAXMNOE-UHFFFAOYSA-N 1 0 369.940 4.774 50 0 FJAARO c1ccc(-c2ccc(OCC[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000045068794 571133251 /nfs/dbraw/zinc/13/32/51/571133251.db2.gz ZZNAMBJCBSFFCE-UHFFFAOYSA-N 1 0 358.485 4.555 50 0 FJAARO CCC[NH+](CCC)Cc1ccc(C(=O)N[C@@H](C)Cc2ccccc2)cc1 ZINC000033640306 571134164 /nfs/dbraw/zinc/13/41/64/571134164.db2.gz UDWOJTOOZQKHPI-IBGZPJMESA-N 1 0 352.522 4.670 50 0 FJAARO Clc1cccc(Cl)c1Cn1nc(C[NH2+]C2CC2)c(-c2ccccc2)n1 ZINC000253490594 571136076 /nfs/dbraw/zinc/13/60/76/571136076.db2.gz JIQBBFXVBAOYGP-UHFFFAOYSA-N 1 0 373.287 4.552 50 0 FJAARO Clc1ccc(Cn2nc(C[NH2+]C3CC3)c(-c3ccccc3)n2)cc1Cl ZINC000253490284 571136082 /nfs/dbraw/zinc/13/60/82/571136082.db2.gz HZXYJYZNAUHLOL-UHFFFAOYSA-N 1 0 373.287 4.552 50 0 FJAARO CC[C@@H](C)Oc1c(C[NH2+]Cc2cc3cc(OC)ccc3[nH]2)cccc1OC ZINC000063870064 571140262 /nfs/dbraw/zinc/14/02/62/571140262.db2.gz HTXSVLIPXAFTSS-OAHLLOKOSA-N 1 0 368.477 4.652 50 0 FJAARO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2CCC ZINC000026121480 571140442 /nfs/dbraw/zinc/14/04/42/571140442.db2.gz GFDKILYNDWBIBB-UHFFFAOYSA-N 1 0 370.541 4.807 50 0 FJAARO CCC[C@H](C)c1c(-c2ccccc2)ncn1CCCOC1CC[NH+](C)CC1 ZINC000065505872 571144526 /nfs/dbraw/zinc/14/45/26/571144526.db2.gz JDPRPQKMTROARJ-IBGZPJMESA-N 1 0 369.553 4.955 50 0 FJAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000520462391 571147184 /nfs/dbraw/zinc/14/71/84/571147184.db2.gz NOHNYFLGJVMVOQ-KRWDZBQOSA-N 1 0 357.910 4.981 50 0 FJAARO Cc1ccc(C2(O)CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)nc1 ZINC000067785113 571149395 /nfs/dbraw/zinc/14/93/95/571149395.db2.gz SWJYVKOCUYKGQM-UHFFFAOYSA-N 1 0 372.512 4.506 50 0 FJAARO O=C(CC[NH+]1CCCC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000575442870 571152020 /nfs/dbraw/zinc/15/20/20/571152020.db2.gz HNWZPBWCXMHKQM-UHFFFAOYSA-N 1 0 358.894 4.955 50 0 FJAARO C[C@@H]1C[C@@H](OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000075279223 571159483 /nfs/dbraw/zinc/15/94/83/571159483.db2.gz QWQRGWMBWMYNRI-UEVCKROQSA-N 1 0 373.581 4.533 50 0 FJAARO COc1ccc(CC[NH+](Cc2ccc(C)o2)Cc2ccc(C)o2)cc1OC ZINC000004699250 571163798 /nfs/dbraw/zinc/16/37/98/571163798.db2.gz CYQQPFWMPLQENJ-UHFFFAOYSA-N 1 0 369.461 4.752 50 0 FJAARO CC[NH+](CC)Cc1cccc(NC(=O)CCc2nc3ccccc3s2)c1 ZINC000031589030 571171143 /nfs/dbraw/zinc/17/11/43/571171143.db2.gz NLUBQDYJPNYUBB-UHFFFAOYSA-N 1 0 367.518 4.709 50 0 FJAARO CC[N@H+](C[C@@H](O)COc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000003253314 571177620 /nfs/dbraw/zinc/17/76/20/571177620.db2.gz YBHHLHKOBZIVOS-OAQYLSRUSA-N 1 0 353.506 4.748 50 0 FJAARO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000003456607 571183833 /nfs/dbraw/zinc/18/38/33/571183833.db2.gz HCVHDHGQTGLQIV-JOCHJYFZSA-N 1 0 369.549 4.944 50 0 FJAARO Nc1[nH]cc(-c2ccc(-c3cc(NC4CCCC4)nc4[nH]ccc43)cc2)[nH+]1 ZINC000072424836 571194201 /nfs/dbraw/zinc/19/42/01/571194201.db2.gz SCYJPNPVVAMCLB-UHFFFAOYSA-N 1 0 358.449 4.557 50 0 FJAARO COC[C@@H]1CC[N@H+](Cc2cc3cc(C)ccc3nc2-c2ccc(F)cc2)C1 ZINC000072431028 571195431 /nfs/dbraw/zinc/19/54/31/571195431.db2.gz ZHXYFHYZEXZOAS-QGZVFWFLSA-N 1 0 364.464 4.818 50 0 FJAARO O[C@@H]1CCC[N@H+](Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)C1 ZINC000072479300 571199768 /nfs/dbraw/zinc/19/97/68/571199768.db2.gz GZTOGFYTAQAVOV-LJQANCHMSA-N 1 0 370.855 4.651 50 0 FJAARO O[C@H]1CCC[N@H+](Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)C1 ZINC000072479299 571199878 /nfs/dbraw/zinc/19/98/78/571199878.db2.gz GZTOGFYTAQAVOV-IBGZPJMESA-N 1 0 370.855 4.651 50 0 FJAARO COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)CCO[C@H](C(C)C)C2)cc1 ZINC000004038355 571204096 /nfs/dbraw/zinc/20/40/96/571204096.db2.gz NJKRITVJGFNMNK-ZEQRLZLVSA-N 1 0 367.533 4.948 50 0 FJAARO CCc1ccc(NC(=O)c2cc3ccc(N(CC)CC)cc3oc2=[NH2+])cc1 ZINC000006518953 571207010 /nfs/dbraw/zinc/20/70/10/571207010.db2.gz JCSBPTGJVBOQJI-UHFFFAOYSA-N 1 0 363.461 4.573 50 0 FJAARO CCC[NH+]1CCC(Cc2noc(-c3oc4c(cccc4F)c3C)n2)CC1 ZINC000077321079 571207510 /nfs/dbraw/zinc/20/75/10/571207510.db2.gz WKKMSECQMOPIQO-UHFFFAOYSA-N 1 0 357.429 4.595 50 0 FJAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)cc1 ZINC000077453519 571212024 /nfs/dbraw/zinc/21/20/24/571212024.db2.gz ACZHQARTWWVWFJ-QHCPKHFHSA-N 1 0 373.500 4.664 50 0 FJAARO Cc1ccc2[nH]c([C@H]3CCCN3Cc3cc(-c4ccccc4)no3)nc2c1 ZINC000077503248 571213828 /nfs/dbraw/zinc/21/38/28/571213828.db2.gz MGROQUZCUXKBBW-OAQYLSRUSA-N 1 0 358.445 4.863 50 0 FJAARO COc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000040742592 571238603 /nfs/dbraw/zinc/23/86/03/571238603.db2.gz ADSNZLUTZUPTPR-UHFFFAOYSA-N 1 0 370.251 4.972 50 0 FJAARO CC[C@H](C)[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169681690 571247097 /nfs/dbraw/zinc/24/70/97/571247097.db2.gz IBJNXAISHPAMLM-FXAWDEMLSA-N 1 0 361.913 4.689 50 0 FJAARO CCOc1ccc([C@@](O)(CC)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000006811647 571247892 /nfs/dbraw/zinc/24/78/92/571247892.db2.gz KFUOXOPBNFCSNE-GOTSBHOMSA-N 1 0 353.506 4.563 50 0 FJAARO Cc1oc2c(c1C(=O)Nc1cccc(F)c1)CN(Cc1ccccc1)CC2 ZINC000065289653 571260517 /nfs/dbraw/zinc/26/05/17/571260517.db2.gz QKKCVZZKKLNFHU-UHFFFAOYSA-N 1 0 364.420 4.538 50 0 FJAARO CCc1ccc(N(C(C)=O)C2CCN(Cc3ccc(F)cc3F)CC2)cc1 ZINC000037580764 571288356 /nfs/dbraw/zinc/28/83/56/571288356.db2.gz TXIGHBQZUHFGOK-UHFFFAOYSA-N 1 0 372.459 4.545 50 0 FJAARO C[C@H](C[N@H+](C)Cc1ccccc1)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000032105893 571308444 /nfs/dbraw/zinc/30/84/44/571308444.db2.gz UNNQDXMODLDYNT-BWKNWUBXSA-N 1 0 359.513 4.885 50 0 FJAARO CC(C)(CO)[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1cccs1 ZINC000253427355 571313275 /nfs/dbraw/zinc/31/32/75/571313275.db2.gz FHVISRRPHHVJMR-MRXNPFEDSA-N 1 0 373.440 4.539 50 0 FJAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(-c3ccc(F)cc3Cl)c2)C1 ZINC000584887760 571314129 /nfs/dbraw/zinc/31/41/29/571314129.db2.gz KIVINMHZVDNEOF-OAHLLOKOSA-N 1 0 374.887 4.608 50 0 FJAARO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)CC3 ZINC000095466065 571330430 /nfs/dbraw/zinc/33/04/30/571330430.db2.gz SMFROKVGBGFDGB-KRWDZBQOSA-N 1 0 357.457 4.778 50 0 FJAARO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000095949233 571332613 /nfs/dbraw/zinc/33/26/13/571332613.db2.gz RNBSEUIBRXSCPW-JSGCOSHPSA-N 1 0 363.807 4.712 50 0 FJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCC[C@@](O)(c1ccccc1)c1ccccn1 ZINC000096027855 571334170 /nfs/dbraw/zinc/33/41/70/571334170.db2.gz DOMLQNJBAMPKKT-TXTKFYIRSA-N 1 0 352.522 4.751 50 0 FJAARO CCC(CC)[NH+]1CCN(C(=O)c2cc3cn(C4CCCC4)cc3s2)CC1 ZINC000097077561 571336791 /nfs/dbraw/zinc/33/67/91/571336791.db2.gz DPULLSGYJXTMNO-UHFFFAOYSA-N 1 0 373.566 4.764 50 0 FJAARO Clc1ccc(OCCC[NH2+]Cc2ccccc2)c(Br)c1 ZINC000002824016 571341260 /nfs/dbraw/zinc/34/12/60/571341260.db2.gz WDDZRPAQTJCDQY-UHFFFAOYSA-N 1 0 354.675 4.661 50 0 FJAARO CCC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000002907735 571341537 /nfs/dbraw/zinc/34/15/37/571341537.db2.gz BHPDOOMSPWWFHP-BJKOFHAPSA-N 1 0 367.533 4.953 50 0 FJAARO CCc1cccc(C)c1NC(=S)N1CCC([N@H+](C)CCC(C)C)CC1 ZINC000002912849 571341612 /nfs/dbraw/zinc/34/16/12/571341612.db2.gz QDAQXXBGLXKRHW-UHFFFAOYSA-N 1 0 361.599 4.697 50 0 FJAARO CCCC[N@H+](CC)Cc1ccc(CNC(=S)Nc2cccc(F)c2)o1 ZINC000003027316 571343672 /nfs/dbraw/zinc/34/36/72/571343672.db2.gz OZVUEEWLSMZGAU-UHFFFAOYSA-N 1 0 363.502 4.527 50 0 FJAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2C)CC1 ZINC000003060237 571344431 /nfs/dbraw/zinc/34/44/31/571344431.db2.gz VTVHIZHHHJLBBK-CYBMUJFWSA-N 1 0 353.963 4.540 50 0 FJAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000003060204 571344461 /nfs/dbraw/zinc/34/44/61/571344461.db2.gz PPWOUQLORDDTKZ-ZDUSSCGKSA-N 1 0 373.488 4.597 50 0 FJAARO Cc1ccc(NC(=S)NC[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1C ZINC000003061686 571344548 /nfs/dbraw/zinc/34/45/48/571344548.db2.gz YWDVXRJHWGVKPF-RBUKOAKNSA-N 1 0 367.562 4.673 50 0 FJAARO CC[N@H+](C[C@H](O)COc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000003253311 571346140 /nfs/dbraw/zinc/34/61/40/571346140.db2.gz YBHHLHKOBZIVOS-NRFANRHFSA-N 1 0 353.506 4.748 50 0 FJAARO Cc1cc(C)c(OCCCC[NH+]2CCC(C)CC2)c(Br)c1 ZINC000003310478 571347106 /nfs/dbraw/zinc/34/71/06/571347106.db2.gz DSRUNNBBZOHHPD-UHFFFAOYSA-N 1 0 354.332 4.957 50 0 FJAARO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)c1ccc2ccccc2c1 ZINC000003401588 571349111 /nfs/dbraw/zinc/34/91/11/571349111.db2.gz ZJGZUCOCPYGPMF-IERDGZPVSA-N 1 0 369.892 4.722 50 0 FJAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000003437412 571349660 /nfs/dbraw/zinc/34/96/60/571349660.db2.gz KYJWMEROZYEEGD-OAQYLSRUSA-N 1 0 360.457 4.514 50 0 FJAARO Cc1ccc(NC(=S)N(CCC[NH+]2CCCCC2)Cc2ccco2)cc1 ZINC000003665457 571352066 /nfs/dbraw/zinc/35/20/66/571352066.db2.gz YBJWWRZBKDAMKI-UHFFFAOYSA-N 1 0 371.550 4.663 50 0 FJAARO Cc1ccc(NC(=S)N(CC[NH+]2CCCCC2)Cc2ccco2)cc1C ZINC000003662452 571352101 /nfs/dbraw/zinc/35/21/01/571352101.db2.gz SNXVQBVEXISXBT-UHFFFAOYSA-N 1 0 371.550 4.581 50 0 FJAARO Cc1cc(C)cc(NC(=S)N(CC[NH+]2CCCCC2)Cc2ccco2)c1 ZINC000003665706 571352179 /nfs/dbraw/zinc/35/21/79/571352179.db2.gz AOYCOSVNHOHOKH-UHFFFAOYSA-N 1 0 371.550 4.581 50 0 FJAARO O=C(Nc1c(Cl)cccc1Cl)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004029314 571354228 /nfs/dbraw/zinc/35/42/28/571354228.db2.gz IXTGJEBIXNXKRT-SWLSCSKDSA-N 1 0 357.281 4.806 50 0 FJAARO COc1ccc2cc(C[NH2+][C@@H](C)c3ccc(-n4ccnc4)cc3)ccc2c1 ZINC000007984348 571358063 /nfs/dbraw/zinc/35/80/63/571358063.db2.gz NGCXNTIJDDFEPB-KRWDZBQOSA-N 1 0 357.457 4.885 50 0 FJAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000008002715 571358345 /nfs/dbraw/zinc/35/83/45/571358345.db2.gz YHHZMJJFUPUTOW-SFHVURJKSA-N 1 0 350.384 4.631 50 0 FJAARO