smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1nc2c([nH]1)[C@@H](C1CC[NH+](CC3CC3)CC1)[N@@H+](Cc1ccccc1)CC2 ZINC000675012239 943609898 /nfs/dbraw/zinc/60/98/98/943609898.db2.gz GILFMMQIZOFYFX-JOCHJYFZSA-N 2 1 350.510 3.631 50 0 FHAAMP CC(C)C[N@@H+]1CCc2nc[nH]c2[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000675012731 943611668 /nfs/dbraw/zinc/61/16/68/943611668.db2.gz QFHTXYVVNUEKFJ-JOCHJYFZSA-N 2 1 352.526 3.877 50 0 FHAAMP CC(C)C[N@H+]1CCc2nc[nH]c2[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000675012731 943611670 /nfs/dbraw/zinc/61/16/70/943611670.db2.gz QFHTXYVVNUEKFJ-JOCHJYFZSA-N 2 1 352.526 3.877 50 0 FHAAMP COc1cc(C)c(C[N@H+]2CCCN(C)C3(CC[NH+](C)CC3)C2)cc1C(C)C ZINC000067695927 205383553 /nfs/dbraw/zinc/38/35/53/205383553.db2.gz KJFMJIIWPZEXFJ-UHFFFAOYSA-N 2 1 373.585 3.729 50 0 FHAAMP COCCn1cc[nH+]c1[C@@H]1CCCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000091663468 132203006 /nfs/dbraw/zinc/20/30/06/132203006.db2.gz YUKVYLAGRXCVSD-QGZVFWFLSA-N 2 1 350.466 3.770 50 0 FHAAMP Cc1cc(N2CCC3(CCC[N@H+]3Cc3ncc[nH]3)CC2)c2ccccc2[nH+]1 ZINC000072423552 136146226 /nfs/dbraw/zinc/14/62/26/136146226.db2.gz BSFVCGISSZSADS-UHFFFAOYSA-N 2 1 361.493 3.901 50 0 FHAAMP Cc1cc(C[NH+](C)Cc2cnccn2)c(C)c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000216231593 568113699 /nfs/dbraw/zinc/11/36/99/568113699.db2.gz FERXMYZZXGZOME-KRWDZBQOSA-N 2 1 352.526 3.957 50 0 FHAAMP Cc1cc(C[NH+](C)Cc2cnccn2)c(C)c(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000216231593 568113700 /nfs/dbraw/zinc/11/37/00/568113700.db2.gz FERXMYZZXGZOME-KRWDZBQOSA-N 2 1 352.526 3.957 50 0 FHAAMP Cc1cc(C[N@H+](C)Cc2cnccn2)c(C)c(C[NH+]2CCC[C@H](C)C2)c1 ZINC000216231593 568113701 /nfs/dbraw/zinc/11/37/01/568113701.db2.gz FERXMYZZXGZOME-KRWDZBQOSA-N 2 1 352.526 3.957 50 0 FHAAMP Cc1cc(C[N@@H+](C)Cc2cnccn2)c(C)c(C[NH+]2CCC[C@H](C)C2)c1 ZINC000216231593 568113702 /nfs/dbraw/zinc/11/37/02/568113702.db2.gz FERXMYZZXGZOME-KRWDZBQOSA-N 2 1 352.526 3.957 50 0 FHAAMP COc1cccc2c1OC[C@@H](C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000095366690 570455696 /nfs/dbraw/zinc/45/56/96/570455696.db2.gz BJUAVEDENSMDEU-LJQANCHMSA-N 2 1 366.505 3.501 50 0 FHAAMP Cc1ccccc1[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCC1)[NH+](C)C ZINC000095369712 570456145 /nfs/dbraw/zinc/45/61/45/570456145.db2.gz LFQPHCATNADCMQ-HXUWFJFHSA-N 2 1 357.542 3.513 50 0 FHAAMP Fc1ccc(C[NH+]2CCC(N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019888813 570905327 /nfs/dbraw/zinc/90/53/27/570905327.db2.gz YRGIUXAIASUVRH-UHFFFAOYSA-N 2 1 367.512 3.608 50 0 FHAAMP CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)CC1 ZINC000020206513 570913262 /nfs/dbraw/zinc/91/32/62/570913262.db2.gz ZQFVFUDPZYBZOI-HXUWFJFHSA-N 2 1 352.526 3.960 50 0 FHAAMP CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)CC1 ZINC000020206517 570913280 /nfs/dbraw/zinc/91/32/80/570913280.db2.gz ZQFVFUDPZYBZOI-FQEVSTJZSA-N 2 1 352.526 3.960 50 0 FHAAMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000243932304 571113178 /nfs/dbraw/zinc/11/31/78/571113178.db2.gz BUOLJMYVDSYYGE-UHFFFAOYSA-N 2 1 363.509 3.775 50 0 FHAAMP COc1ccnc(C[N@@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1OC ZINC000072155952 571175127 /nfs/dbraw/zinc/17/51/27/571175127.db2.gz KHEJKGWITISWQC-HXUWFJFHSA-N 2 1 369.509 3.888 50 0 FHAAMP COc1ccnc(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1OC ZINC000072155952 571175129 /nfs/dbraw/zinc/17/51/29/571175129.db2.gz KHEJKGWITISWQC-HXUWFJFHSA-N 2 1 369.509 3.888 50 0 FHAAMP C[N@H+](Cc1ccccc1C[NH+]1CCCC1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000072159324 571175716 /nfs/dbraw/zinc/17/57/16/571175716.db2.gz PCVLHUQDSYKNNP-XZOQPEGZSA-N 2 1 355.570 3.979 50 0 FHAAMP C[N@@H+](Cc1ccccc1C[NH+]1CCCC1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072159324 571175718 /nfs/dbraw/zinc/17/57/18/571175718.db2.gz PCVLHUQDSYKNNP-XZOQPEGZSA-N 3 1 355.570 3.979 50 0 FHAAMP C[N@H+](Cc1ccccc1C[NH+]1CCCC1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072159324 571175720 /nfs/dbraw/zinc/17/57/20/571175720.db2.gz PCVLHUQDSYKNNP-XZOQPEGZSA-N 3 1 355.570 3.979 50 0 FHAAMP C[NH+](Cc1ccccc1C[NH+]1CCCC1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072159324 571175723 /nfs/dbraw/zinc/17/57/23/571175723.db2.gz PCVLHUQDSYKNNP-XZOQPEGZSA-N 3 1 355.570 3.979 50 0 FHAAMP C[NH+](Cc1ccccc1C[NH+]1CCCC1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072159324 571175726 /nfs/dbraw/zinc/17/57/26/571175726.db2.gz PCVLHUQDSYKNNP-XZOQPEGZSA-N 3 1 355.570 3.979 50 0 FHAAMP CN(Cc1ccccc1C[NH+]1CCCC1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072159324 571175727 /nfs/dbraw/zinc/17/57/27/571175727.db2.gz PCVLHUQDSYKNNP-XZOQPEGZSA-N 2 1 355.570 3.979 50 0 FHAAMP CN(Cc1ccccc1C[NH+]1CCCC1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072159324 571175730 /nfs/dbraw/zinc/17/57/30/571175730.db2.gz PCVLHUQDSYKNNP-XZOQPEGZSA-N 2 1 355.570 3.979 50 0 FHAAMP Cc1cc(N2CCC[N@@H+](Cc3ccc([C@@H]4CCCCO4)o3)CC2)cc[nH+]1 ZINC000072171478 571177751 /nfs/dbraw/zinc/17/77/51/571177751.db2.gz ZIFMVYWTUXRQIK-FQEVSTJZSA-N 2 1 355.482 3.937 50 0 FHAAMP Cc1cc(N2CCCN(C[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc[nH+]1 ZINC000299801861 571203409 /nfs/dbraw/zinc/20/34/09/571203409.db2.gz ZTSYQKZMBJDDFE-HSZRJFAPSA-N 2 1 364.537 3.567 50 0 FHAAMP Cc1cc(N2CCC[N@H+](C[C@H]3CCCN3Cc3ccccc3)CC2)cc[nH+]1 ZINC000299801861 571203410 /nfs/dbraw/zinc/20/34/10/571203410.db2.gz ZTSYQKZMBJDDFE-HSZRJFAPSA-N 2 1 364.537 3.567 50 0 FHAAMP Cc1cc(N2CCC[N@@H+](C[C@H]3CCCN3Cc3ccccc3)CC2)cc[nH+]1 ZINC000299801861 571203415 /nfs/dbraw/zinc/20/34/15/571203415.db2.gz ZTSYQKZMBJDDFE-HSZRJFAPSA-N 2 1 364.537 3.567 50 0 FHAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC000077523204 571214564 /nfs/dbraw/zinc/21/45/64/571214564.db2.gz AHDTXQTWTCDXHH-UHFFFAOYSA-N 2 1 350.441 3.790 50 0 FHAAMP C[NH+](C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccco1 ZINC000426662393 571234596 /nfs/dbraw/zinc/23/45/96/571234596.db2.gz WHNPDIAMWZHGRK-HXUWFJFHSA-N 2 1 369.509 3.688 50 0 FHAAMP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ncccn3)CC2)C1 ZINC000091643938 571241517 /nfs/dbraw/zinc/24/15/17/571241517.db2.gz MBRXFODSRCSPFA-HXUWFJFHSA-N 2 1 350.510 3.568 50 0 FHAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ncccn3)CC2)C1 ZINC000091643938 571241519 /nfs/dbraw/zinc/24/15/19/571241519.db2.gz MBRXFODSRCSPFA-HXUWFJFHSA-N 2 1 350.510 3.568 50 0 FHAAMP Cc1ccc(CC[NH2+]C2CCN(c3ccc(-n4cc[nH+]c4C)cc3)CC2)o1 ZINC000023506306 940489885 /nfs/dbraw/zinc/48/98/85/940489885.db2.gz PCJIUVWLJYNCQZ-UHFFFAOYSA-N 2 1 364.493 3.883 50 0 FHAAMP C[N@H+](C[C@@H]1CCC[NH+](CCc2ccccc2F)C1)C1CCSCC1 ZINC000055244256 205211187 /nfs/dbraw/zinc/21/11/87/205211187.db2.gz OSRWTTKQWWVUQZ-KRWDZBQOSA-N 2 1 350.547 3.908 50 0 FHAAMP C[N@@H+](C[C@@H]1CCC[NH+](CCc2ccccc2F)C1)C1CCSCC1 ZINC000055244256 205211191 /nfs/dbraw/zinc/21/11/91/205211191.db2.gz OSRWTTKQWWVUQZ-KRWDZBQOSA-N 2 1 350.547 3.908 50 0 FHAAMP C[NH+](C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C1CCSCC1 ZINC000055244256 205211195 /nfs/dbraw/zinc/21/11/95/205211195.db2.gz OSRWTTKQWWVUQZ-KRWDZBQOSA-N 2 1 350.547 3.908 50 0 FHAAMP C[NH+](C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C1CCSCC1 ZINC000055244256 205211200 /nfs/dbraw/zinc/21/12/00/205211200.db2.gz OSRWTTKQWWVUQZ-KRWDZBQOSA-N 2 1 350.547 3.908 50 0 FHAAMP O=C(c1ccccc1)N1CCC([NH2+]C2(C[NH+]3CCCC3)CCCCC2)CC1 ZINC000065506744 205357056 /nfs/dbraw/zinc/35/70/56/205357056.db2.gz HVCUXMLVRPGMBW-UHFFFAOYSA-N 2 1 369.553 3.680 50 0 FHAAMP CC[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)C[C@@H](O)c1cccc(O)c1 ZINC000215735643 206349284 /nfs/dbraw/zinc/34/92/84/206349284.db2.gz VALIZYYIDUNRQB-HXUWFJFHSA-N 2 1 360.523 3.605 50 0 FHAAMP CSc1ncc(C[N@@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)cn1 ZINC000015067614 526221807 /nfs/dbraw/zinc/22/18/07/526221807.db2.gz RAJXTUHFPXFOJW-UHFFFAOYSA-N 2 1 370.566 3.585 50 0 FHAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nccn2Cc2ccccc2)C1 ZINC000082092009 527412236 /nfs/dbraw/zinc/41/22/36/527412236.db2.gz KXBPHCOBOKWOQL-NRFANRHFSA-N 2 1 363.509 3.706 50 0 FHAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nccn2Cc2ccccc2)C1 ZINC000082092009 527412243 /nfs/dbraw/zinc/41/22/43/527412243.db2.gz KXBPHCOBOKWOQL-NRFANRHFSA-N 2 1 363.509 3.706 50 0 FHAAMP Cc1[nH+]ccn1CC[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000095364698 570454997 /nfs/dbraw/zinc/45/49/97/570454997.db2.gz LIXSTSINUWVCQI-OAQYLSRUSA-N 2 1 368.525 3.560 50 0 FHAAMP CCC[NH+]1CCC([N@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)CC1 ZINC000012054283 570715573 /nfs/dbraw/zinc/71/55/73/570715573.db2.gz QIYLQDKJKDVJGI-OAQYLSRUSA-N 2 1 364.961 3.831 50 0 FHAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC1=CCCCC1 ZINC000012299973 570733340 /nfs/dbraw/zinc/73/33/40/570733340.db2.gz OKJQGSJNRGISGB-UHFFFAOYSA-N 2 1 361.574 3.532 50 0 FHAAMP CCn1ccnc1C[N@@H+](CC)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000015066662 570830965 /nfs/dbraw/zinc/83/09/65/570830965.db2.gz KNZGDKBPHRZDSK-UHFFFAOYSA-N 2 1 368.569 3.988 50 0 FHAAMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cnn1-c1ccc(F)cc1F ZINC000015073555 570831520 /nfs/dbraw/zinc/83/15/20/570831520.db2.gz SSEZWWQLAFCTRG-CQSZACIVSA-N 2 1 362.468 3.982 50 0 FHAAMP COc1cc(C[NH+]2CCCC2)ccc1OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072126702 571170347 /nfs/dbraw/zinc/17/03/47/571170347.db2.gz MNMPTIHYRAOEAF-VQTJNVASSA-N 2 1 358.526 3.934 50 0 FHAAMP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+](C)C1CCCCC1 ZINC000299792491 571201265 /nfs/dbraw/zinc/20/12/65/571201265.db2.gz FCGKGMOHVTVCSU-SFHVURJKSA-N 2 1 357.542 3.552 50 0 FHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cnc(N2CCCC2)s1 ZINC000077408131 571210775 /nfs/dbraw/zinc/21/07/75/571210775.db2.gz UUFRBPTYABMHGI-QGZVFWFLSA-N 2 1 359.543 3.693 50 0 FHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cnc(N2CCCC2)s1 ZINC000077408131 571210777 /nfs/dbraw/zinc/21/07/77/571210777.db2.gz UUFRBPTYABMHGI-QGZVFWFLSA-N 2 1 359.543 3.693 50 0 FHAAMP CCc1ncc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)cn1 ZINC000091255929 571238611 /nfs/dbraw/zinc/23/86/11/571238611.db2.gz GGTBLLBOOORESH-NRFANRHFSA-N 2 1 364.537 3.741 50 0 FHAAMP COc1cccc(-c2nc(CN3CCC(c4nccn4C)CC3)c(C)o2)c1 ZINC000091526764 571240278 /nfs/dbraw/zinc/24/02/78/571240278.db2.gz NNJSLMZOLSWNEH-UHFFFAOYSA-N 2 1 366.465 3.772 50 0 FHAAMP CC(C)n1cc(C[N@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000014951768 948007896 /nfs/dbraw/zinc/00/78/96/948007896.db2.gz NOUOVKRNMOJDBR-OAQYLSRUSA-N 2 1 354.542 3.851 50 0 FHAAMP CC(C)n1cc(C[N@@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000014951768 948007899 /nfs/dbraw/zinc/00/78/99/948007899.db2.gz NOUOVKRNMOJDBR-OAQYLSRUSA-N 2 1 354.542 3.851 50 0 FHAAMP CC(C)n1cc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000014951768 948007905 /nfs/dbraw/zinc/00/79/05/948007905.db2.gz NOUOVKRNMOJDBR-OAQYLSRUSA-N 2 1 354.542 3.851 50 0 FHAAMP CC(C)n1cc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000014951768 948007910 /nfs/dbraw/zinc/00/79/10/948007910.db2.gz NOUOVKRNMOJDBR-OAQYLSRUSA-N 2 1 354.542 3.851 50 0 FHAAMP Cc1nc2ccc(CNC(=O)C3([NH+]4CCCCC4)CCCCC3)cc2[nH]1 ZINC000216471073 206359050 /nfs/dbraw/zinc/35/90/50/206359050.db2.gz GAYFUNZKZXINSF-UHFFFAOYSA-N 2 1 354.498 3.676 50 0 FHAAMP CC[N@H+]1CCc2nc[nH]c2C12CCN(c1cc(C)[nH+]c3ccccc31)CC2 ZINC000091391458 132201503 /nfs/dbraw/zinc/20/15/03/132201503.db2.gz KESJIKDKFKTMML-UHFFFAOYSA-N 2 1 361.493 3.640 50 0 FHAAMP Cc1cc(Cl)cc2c(N3CCC([NH+]4CCC(O)CC4)CC3)cc[nH+]c12 ZINC000095368996 132208703 /nfs/dbraw/zinc/20/87/03/132208703.db2.gz JAMAZQIDEVJLIA-UHFFFAOYSA-N 2 1 359.901 3.622 50 0 FHAAMP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095370827 570456013 /nfs/dbraw/zinc/45/60/13/570456013.db2.gz SPIBABIHCCHXAD-OAQYLSRUSA-N 2 1 357.542 3.505 50 0 FHAAMP CC(C)c1[nH+]ccn1CCCNC(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095380178 570458182 /nfs/dbraw/zinc/45/81/82/570458182.db2.gz CQUCLCVMJQCNGZ-UHFFFAOYSA-N 2 1 360.546 3.558 50 0 FHAAMP CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000011879394 570598496 /nfs/dbraw/zinc/59/84/96/570598496.db2.gz IHTNOMZOWJWLSN-QHCPKHFHSA-N 2 1 372.553 3.747 50 0 FHAAMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC000011817645 570707620 /nfs/dbraw/zinc/70/76/20/570707620.db2.gz XVTMWWQRFXPHSI-UHFFFAOYSA-N 2 1 370.493 3.719 50 0 FHAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2ccccc2C)CC1 ZINC000011937767 570712466 /nfs/dbraw/zinc/71/24/66/570712466.db2.gz MXBHJYNPDVSGEQ-UHFFFAOYSA-N 2 1 367.537 3.751 50 0 FHAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)CC1 ZINC000019225001 570883156 /nfs/dbraw/zinc/88/31/56/570883156.db2.gz UTXZZQCMHMJXBK-HXUWFJFHSA-N 2 1 361.574 3.578 50 0 FHAAMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000107538181 570897359 /nfs/dbraw/zinc/89/73/59/570897359.db2.gz RFASCRIVTJIPDV-NVXWUHKLSA-N 2 1 363.933 3.639 50 0 FHAAMP Cc1[nH]c2ccccc2c1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022781212 570949731 /nfs/dbraw/zinc/94/97/31/570949731.db2.gz XLOOVGBTBDSMEJ-HXUWFJFHSA-N 2 1 368.550 3.616 50 0 FHAAMP C[C@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000038709181 571049297 /nfs/dbraw/zinc/04/92/97/571049297.db2.gz PGJAVWOIMLKVJE-OAHLLOKOSA-N 2 1 351.922 3.911 50 0 FHAAMP COCC[N@@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)C1 ZINC000426504403 571228925 /nfs/dbraw/zinc/22/89/25/571228925.db2.gz BUOMWCULTTUTCV-HXUWFJFHSA-N 2 1 359.901 3.827 50 0 FHAAMP COCC[N@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)C1 ZINC000426504403 571228927 /nfs/dbraw/zinc/22/89/27/571228927.db2.gz BUOMWCULTTUTCV-HXUWFJFHSA-N 2 1 359.901 3.827 50 0 FHAAMP CCc1ncc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)cn1 ZINC000091255931 571238648 /nfs/dbraw/zinc/23/86/48/571238648.db2.gz GGTBLLBOOORESH-OAQYLSRUSA-N 2 1 364.537 3.741 50 0 FHAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](C2CCCCCC2)CC1 ZINC000091486852 571240104 /nfs/dbraw/zinc/24/01/04/571240104.db2.gz NWFBHFZBIRNDBF-UHFFFAOYSA-N 2 1 370.545 3.753 50 0 FHAAMP COc1ccnc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)c1 ZINC000091677562 571242354 /nfs/dbraw/zinc/24/23/54/571242354.db2.gz JGDPAFNQKAOJQH-HXUWFJFHSA-N 2 1 365.521 3.792 50 0 FHAAMP C[NH+]1CCN(c2cc3c(nn2)N(Cc2ccccc2)c2ccccc2N3)CC1 ZINC000221529789 571309496 /nfs/dbraw/zinc/30/94/96/571309496.db2.gz PILRAFDSXLZALX-UHFFFAOYSA-N 2 1 372.476 3.624 50 0 FHAAMP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(C)c3[nH+]ccn3c2)cc1 ZINC000584890547 571314477 /nfs/dbraw/zinc/31/44/77/571314477.db2.gz PZRXWJGBMJIHDI-HXUWFJFHSA-N 2 1 362.477 3.524 50 0 FHAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(C)c3[nH+]ccn3c2)cc1 ZINC000584890547 571314479 /nfs/dbraw/zinc/31/44/79/571314479.db2.gz PZRXWJGBMJIHDI-HXUWFJFHSA-N 2 1 362.477 3.524 50 0 FHAAMP CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(C)c3[nH+]ccn3c2)cc1 ZINC000584890546 571314544 /nfs/dbraw/zinc/31/45/44/571314544.db2.gz PZRXWJGBMJIHDI-FQEVSTJZSA-N 2 1 362.477 3.524 50 0 FHAAMP CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(C)c3[nH+]ccn3c2)cc1 ZINC000584890546 571314545 /nfs/dbraw/zinc/31/45/45/571314545.db2.gz PZRXWJGBMJIHDI-FQEVSTJZSA-N 2 1 362.477 3.524 50 0 FHAAMP Cc1nnc([C@@H]2C[N@H+](CC(C)C)CC23CC[NH+](Cc2ccccc2)CC3)o1 ZINC000675013504 943615679 /nfs/dbraw/zinc/61/56/79/943615679.db2.gz GPKUKEAJSPEMFY-FQEVSTJZSA-N 2 1 368.525 3.716 50 0 FHAAMP CCc1cccc2c(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)c[nH]c21 ZINC000012567210 206293201 /nfs/dbraw/zinc/29/32/01/206293201.db2.gz MKDZZSRWPQLPIX-UHFFFAOYSA-N 2 1 363.505 3.852 50 0 FHAAMP CCc1cc(N2CCC([NH2+]CCCc3ccc(OC)cc3)CC2)nc(C)[nH+]1 ZINC000095503925 132212579 /nfs/dbraw/zinc/21/25/79/132212579.db2.gz WDBCYJXXHWNQSE-UHFFFAOYSA-N 2 1 368.525 3.547 50 0 FHAAMP Cc1cccc(N2CCC3(CCC[N@H+]3Cc3cnn(C(C)C)c3)CC2)[nH+]1 ZINC000072438719 136147549 /nfs/dbraw/zinc/14/75/49/136147549.db2.gz OPDJBUCQBHRMHK-UHFFFAOYSA-N 2 1 353.514 3.802 50 0 FHAAMP Cc1cccc(N2CCC3(CCC[N@@H+]3Cc3cnn(C(C)C)c3)CC2)[nH+]1 ZINC000072438719 136147550 /nfs/dbraw/zinc/14/75/50/136147550.db2.gz OPDJBUCQBHRMHK-UHFFFAOYSA-N 2 1 353.514 3.802 50 0 FHAAMP CC[N@@H+](Cc1ccncc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055099850 521418585 /nfs/dbraw/zinc/41/85/85/521418585.db2.gz KARXDBXIRGQASV-JOCHJYFZSA-N 2 1 367.537 3.867 50 0 FHAAMP CC[N@H+](Cc1ccncc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055099850 521418594 /nfs/dbraw/zinc/41/85/94/521418594.db2.gz KARXDBXIRGQASV-JOCHJYFZSA-N 2 1 367.537 3.867 50 0 FHAAMP CC[NH+](Cc1ccncc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055099850 521418600 /nfs/dbraw/zinc/41/86/00/521418600.db2.gz KARXDBXIRGQASV-JOCHJYFZSA-N 2 1 367.537 3.867 50 0 FHAAMP CC[NH+](Cc1ccncc1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055099850 521418610 /nfs/dbraw/zinc/41/86/10/521418610.db2.gz KARXDBXIRGQASV-JOCHJYFZSA-N 2 1 367.537 3.867 50 0 FHAAMP c1ccc([C@@H]2C[N@@H+](C3CC3)CC3(CC[NH+](Cc4ncccn4)CC3)C2)cc1 ZINC000095374147 570457290 /nfs/dbraw/zinc/45/72/90/570457290.db2.gz KBVIAWQFKJXGJY-FQEVSTJZSA-N 2 1 362.521 3.711 50 0 FHAAMP c1ccc([C@@H]2C[N@H+](C3CC3)CC3(CC[NH+](Cc4ncccn4)CC3)C2)cc1 ZINC000095374147 570457292 /nfs/dbraw/zinc/45/72/92/570457292.db2.gz KBVIAWQFKJXGJY-FQEVSTJZSA-N 2 1 362.521 3.711 50 0 FHAAMP CC[N@@H+](Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1)C1CC1 ZINC000095503384 570463295 /nfs/dbraw/zinc/46/32/95/570463295.db2.gz XEHNMAINWAQVTH-OAQYLSRUSA-N 2 1 360.542 3.675 50 0 FHAAMP CC[NH+](Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1)C1CC1 ZINC000095503384 570463296 /nfs/dbraw/zinc/46/32/96/570463296.db2.gz XEHNMAINWAQVTH-OAQYLSRUSA-N 2 1 360.542 3.675 50 0 FHAAMP CC[NH+](Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1)C1CC1 ZINC000095503384 570463299 /nfs/dbraw/zinc/46/32/99/570463299.db2.gz XEHNMAINWAQVTH-OAQYLSRUSA-N 2 1 360.542 3.675 50 0 FHAAMP COCC[NH+]1CCC(C[N@@H+](Cc2cc(C)c(C)o2)Cc2ccncc2)CC1 ZINC000012435047 570745239 /nfs/dbraw/zinc/74/52/39/570745239.db2.gz KFVQJNJNLDBQGG-UHFFFAOYSA-N 2 1 371.525 3.652 50 0 FHAAMP C[N@@H+](Cc1ccccc1)Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012587600 570751908 /nfs/dbraw/zinc/75/19/08/570751908.db2.gz ZHCMYNCSDBLXNO-JOCHJYFZSA-N 2 1 368.521 3.544 50 0 FHAAMP CC(C)[NH+]1CCC(C[N@@H+]2CCc3nc[nH]c3[C@H]2Cc2ccccc2)CC1 ZINC000067885168 571151211 /nfs/dbraw/zinc/15/12/11/571151211.db2.gz HIYYRGFQBSEVSP-OAQYLSRUSA-N 2 1 352.526 3.672 50 0 FHAAMP CC(C)[NH+]1CCC(C[N@H+]2CCc3nc[nH]c3[C@H]2Cc2ccccc2)CC1 ZINC000067885168 571151212 /nfs/dbraw/zinc/15/12/12/571151212.db2.gz HIYYRGFQBSEVSP-OAQYLSRUSA-N 2 1 352.526 3.672 50 0 FHAAMP COc1ccc2cc([C@H]3C[N@@H+](CC4CC[NH+](C)CC4)CCO3)ccc2c1 ZINC000071752644 571164920 /nfs/dbraw/zinc/16/49/20/571164920.db2.gz IPFLQESOGVYKIS-JOCHJYFZSA-N 2 1 354.494 3.564 50 0 FHAAMP CC[N@@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055099849 205206127 /nfs/dbraw/zinc/20/61/27/205206127.db2.gz KARXDBXIRGQASV-QFIPXVFZSA-N 2 1 367.537 3.867 50 0 FHAAMP CC[N@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055099849 205206130 /nfs/dbraw/zinc/20/61/30/205206130.db2.gz KARXDBXIRGQASV-QFIPXVFZSA-N 2 1 367.537 3.867 50 0 FHAAMP CC[NH+](Cc1ccncc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055099849 205206133 /nfs/dbraw/zinc/20/61/33/205206133.db2.gz KARXDBXIRGQASV-QFIPXVFZSA-N 2 1 367.537 3.867 50 0 FHAAMP CC[NH+](Cc1ccncc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055099849 205206137 /nfs/dbraw/zinc/20/61/37/205206137.db2.gz KARXDBXIRGQASV-QFIPXVFZSA-N 2 1 367.537 3.867 50 0 FHAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000057263123 205236871 /nfs/dbraw/zinc/23/68/71/205236871.db2.gz PQEVTWUVSSRING-UHFFFAOYSA-N 2 1 366.864 3.766 50 0 FHAAMP Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000215175877 132269642 /nfs/dbraw/zinc/26/96/42/132269642.db2.gz ZGCBQAWIYXOCQW-UHFFFAOYSA-N 2 1 361.493 3.515 50 0 FHAAMP CCn1ncc(C[N@@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)c1C ZINC000072425167 136146516 /nfs/dbraw/zinc/14/65/16/136146516.db2.gz RQNXPABAXORSND-UHFFFAOYSA-N 2 1 353.514 3.550 50 0 FHAAMP CCn1ncc(C[N@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)c1C ZINC000072425167 136146517 /nfs/dbraw/zinc/14/65/17/136146517.db2.gz RQNXPABAXORSND-UHFFFAOYSA-N 2 1 353.514 3.550 50 0 FHAAMP Cc1[nH+]cc(CN2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)n1C ZINC000012316064 568138337 /nfs/dbraw/zinc/13/83/37/568138337.db2.gz DZQXFKAHEOTEAO-HSZRJFAPSA-N 2 1 366.553 3.649 50 0 FHAAMP Cc1[nH+]cc(CN2CC[C@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)n1C ZINC000012316064 568138338 /nfs/dbraw/zinc/13/83/38/568138338.db2.gz DZQXFKAHEOTEAO-HSZRJFAPSA-N 2 1 366.553 3.649 50 0 FHAAMP Cc1ccccc1[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCC1)[NH+](C)C ZINC000095369711 570456258 /nfs/dbraw/zinc/45/62/58/570456258.db2.gz LFQPHCATNADCMQ-FQEVSTJZSA-N 2 1 357.542 3.513 50 0 FHAAMP c1ccc([C@H]2C[N@@H+](C3CC3)CC3(CC[NH+](Cc4ncccn4)CC3)C2)cc1 ZINC000095374146 570457257 /nfs/dbraw/zinc/45/72/57/570457257.db2.gz KBVIAWQFKJXGJY-HXUWFJFHSA-N 2 1 362.521 3.711 50 0 FHAAMP c1ccc([C@H]2C[N@H+](C3CC3)CC3(CC[NH+](Cc4ncccn4)CC3)C2)cc1 ZINC000095374146 570457261 /nfs/dbraw/zinc/45/72/61/570457261.db2.gz KBVIAWQFKJXGJY-HXUWFJFHSA-N 2 1 362.521 3.711 50 0 FHAAMP C[C@H]1CCCC[N@H+]1C1CN(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000096131831 570476409 /nfs/dbraw/zinc/47/64/09/570476409.db2.gz MUUDUPLGBNFTRO-SFHVURJKSA-N 2 1 370.541 3.763 50 0 FHAAMP COC(=O)CC[C@H]1C[N@H+](C2C3CC4CC(C3)CC2C4)CC[C@H]1[NH+]1CCCC1 ZINC000012191445 570725665 /nfs/dbraw/zinc/72/56/65/570725665.db2.gz GXVSUNLJFOBBLT-ZOHRNTLWSA-N 2 1 374.569 3.551 50 0 FHAAMP COCC[N@H+](Cc1cccnc1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012308272 570735476 /nfs/dbraw/zinc/73/54/76/570735476.db2.gz DYKMCLASRBDQEW-UHFFFAOYSA-N 2 1 371.500 3.581 50 0 FHAAMP CCC[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000012314703 570735839 /nfs/dbraw/zinc/73/58/39/570735839.db2.gz CGRYHZRAMJJNDP-FQEVSTJZSA-N 2 1 363.590 3.802 50 0 FHAAMP CC[NH+](CC)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000012714653 570757585 /nfs/dbraw/zinc/75/75/85/570757585.db2.gz FKUUTFAETYDGER-QFIPXVFZSA-N 2 1 363.590 3.613 50 0 FHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000244795499 571117460 /nfs/dbraw/zinc/11/74/60/571117460.db2.gz RHKUOQIVECYIPW-SFHVURJKSA-N 2 1 369.444 3.825 50 0 FHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000244795499 571117461 /nfs/dbraw/zinc/11/74/61/571117461.db2.gz RHKUOQIVECYIPW-SFHVURJKSA-N 2 1 369.444 3.825 50 0 FHAAMP c1cnn(CCC2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000244873452 571118108 /nfs/dbraw/zinc/11/81/08/571118108.db2.gz WQQNYQYOOHVACC-JOCHJYFZSA-N 2 1 352.526 3.507 50 0 FHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000244873186 571118385 /nfs/dbraw/zinc/11/83/85/571118385.db2.gz WLIKDIOZOUGASG-QGZVFWFLSA-N 2 1 372.513 3.626 50 0 FHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000244873186 571118386 /nfs/dbraw/zinc/11/83/86/571118386.db2.gz WLIKDIOZOUGASG-QGZVFWFLSA-N 2 1 372.513 3.626 50 0 FHAAMP COc1ccc(OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1C[NH+]1CCCC1 ZINC000072151387 571174275 /nfs/dbraw/zinc/17/42/75/571174275.db2.gz MCAOYIPNJDDCCB-GHTZIAJQSA-N 2 1 358.526 3.934 50 0 FHAAMP Cc1cc(N2CCC[N@H+](Cc3c[nH]c(CC4CCCC4)n3)CC2)cc[nH+]1 ZINC000072164036 571176375 /nfs/dbraw/zinc/17/63/75/571176375.db2.gz ULPCEEXXWLXKIY-UHFFFAOYSA-N 2 1 353.514 3.558 50 0 FHAAMP Cc1cc(N2CCC[N@@H+](Cc3c[nH]c(CC4CCCC4)n3)CC2)cc[nH+]1 ZINC000072164036 571176377 /nfs/dbraw/zinc/17/63/77/571176377.db2.gz ULPCEEXXWLXKIY-UHFFFAOYSA-N 2 1 353.514 3.558 50 0 FHAAMP CCC[N@H+]1CC2(C[C@@H]1C(=O)NC(C)(C)c1ccc(C)cc1)CC[NH+](C)CC2 ZINC000072457591 571197523 /nfs/dbraw/zinc/19/75/23/571197523.db2.gz HFWCRSRTWAOMNY-HXUWFJFHSA-N 2 1 371.569 3.543 50 0 FHAAMP CCOc1cc(C[NH2+]CCC[NH+](C)C)cc(Br)c1OC(C)C ZINC000040719600 205077421 /nfs/dbraw/zinc/07/74/21/205077421.db2.gz OQFXELLMAAIROV-UHFFFAOYSA-N 2 1 373.335 3.676 50 0 FHAAMP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000095385015 132209731 /nfs/dbraw/zinc/20/97/31/132209731.db2.gz ONDKFZCRRXRSDL-GOSISDBHSA-N 3 1 363.509 3.767 50 0 FHAAMP COc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1C(C)C ZINC000091680369 522195705 /nfs/dbraw/zinc/19/57/05/522195705.db2.gz CBKHQWFZKJUNKY-NHCUHLMSSA-N 2 1 374.569 3.653 50 0 FHAAMP COc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1C(C)C ZINC000091680369 522195711 /nfs/dbraw/zinc/19/57/11/522195711.db2.gz CBKHQWFZKJUNKY-NHCUHLMSSA-N 2 1 374.569 3.653 50 0 FHAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000095382770 570459722 /nfs/dbraw/zinc/45/97/22/570459722.db2.gz MIHGCEJHYBDPOL-NRFANRHFSA-N 2 1 374.488 3.578 50 0 FHAAMP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1OCc1ccccc1F ZINC000097546477 570490361 /nfs/dbraw/zinc/49/03/61/570490361.db2.gz HGMSNAFXRCTNGS-GOSISDBHSA-N 2 1 358.457 3.727 50 0 FHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2c(C)cc(C)cc2-n2cccn2)C1 ZINC000072138833 571171622 /nfs/dbraw/zinc/17/16/22/571171622.db2.gz QICXVGHMNSPHQG-FQEVSTJZSA-N 2 1 363.509 3.906 50 0 FHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2-n2cccn2)C1 ZINC000072138833 571171624 /nfs/dbraw/zinc/17/16/24/571171624.db2.gz QICXVGHMNSPHQG-FQEVSTJZSA-N 2 1 363.509 3.906 50 0 FHAAMP Cc1cc(N2CCC[N@@H+](Cc3ccc(-c4cc[nH]n4)s3)CC2)cc[nH+]1 ZINC000072148447 571174145 /nfs/dbraw/zinc/17/41/45/571174145.db2.gz YYRIBAIGHYPKLT-UHFFFAOYSA-N 2 1 353.495 3.554 50 0 FHAAMP Cc1cc(-n2cccn2)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000072419757 571192910 /nfs/dbraw/zinc/19/29/10/571192910.db2.gz BCIGAYVNGOCHCT-QHCPKHFHSA-N 2 1 364.537 3.879 50 0 FHAAMP Cc1cc(-n2cccn2)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000072419757 571192912 /nfs/dbraw/zinc/19/29/12/571192912.db2.gz BCIGAYVNGOCHCT-QHCPKHFHSA-N 2 1 364.537 3.879 50 0 FHAAMP Cc1cc(-n2cccn2)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000072419757 571192914 /nfs/dbraw/zinc/19/29/14/571192914.db2.gz BCIGAYVNGOCHCT-QHCPKHFHSA-N 2 1 364.537 3.879 50 0 FHAAMP COc1ccc(Br)c(C[N@@H+](C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000170595398 571266358 /nfs/dbraw/zinc/26/63/58/571266358.db2.gz AEUSPSHMKCCUJW-ZDUSSCGKSA-N 2 1 355.320 3.620 50 0 FHAAMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000089644268 571272276 /nfs/dbraw/zinc/27/22/76/571272276.db2.gz RFASCRIVTJIPDV-RDJZCZTQSA-N 2 1 363.933 3.639 50 0 FHAAMP COCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675011768 943609370 /nfs/dbraw/zinc/60/93/70/943609370.db2.gz BQFFJOXBNWVDEH-QFIPXVFZSA-N 2 1 374.573 3.638 50 0 FHAAMP COCCC[N@H+]1CCc2nc[nH]c2[C@@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675011768 943609372 /nfs/dbraw/zinc/60/93/72/943609372.db2.gz BQFFJOXBNWVDEH-QFIPXVFZSA-N 2 1 374.573 3.638 50 0 FHAAMP CC[NH+](CC)CCCn1c(C)c(C)c2c1nc[nH+]c2NCc1ccco1 ZINC000005345502 204204182 /nfs/dbraw/zinc/20/41/82/204204182.db2.gz YSPJYWZCFZXOKZ-UHFFFAOYSA-N 2 1 355.486 3.985 50 0 FHAAMP c1ccc(CC2CC[NH+](CCC[NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000006764375 204267043 /nfs/dbraw/zinc/26/70/43/204267043.db2.gz XMSCRPPXDCCMLV-UHFFFAOYSA-N 2 1 366.505 3.850 50 0 FHAAMP Cc1ccccc1-n1cc(C[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cn1 ZINC000055153680 205207928 /nfs/dbraw/zinc/20/79/28/205207928.db2.gz CHFAHCRPGWEETL-RBBKRZOGSA-N 2 1 352.526 3.877 50 0 FHAAMP Cc1ccccc1-n1cc(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cn1 ZINC000055153680 205207931 /nfs/dbraw/zinc/20/79/31/205207931.db2.gz CHFAHCRPGWEETL-RBBKRZOGSA-N 2 1 352.526 3.877 50 0 FHAAMP Cc1ccccc1-n1cc(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000055153680 205207935 /nfs/dbraw/zinc/20/79/35/205207935.db2.gz CHFAHCRPGWEETL-RBBKRZOGSA-N 2 1 352.526 3.877 50 0 FHAAMP Cc1ccccc1-n1cc(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000055153680 205207939 /nfs/dbraw/zinc/20/79/39/205207939.db2.gz CHFAHCRPGWEETL-RBBKRZOGSA-N 2 1 352.526 3.877 50 0 FHAAMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])NCc2ccccc2)C1 ZINC000057887170 205245742 /nfs/dbraw/zinc/24/57/42/205245742.db2.gz VUJHIYGIBRMEET-GOSISDBHSA-N 2 1 350.510 3.733 50 0 FHAAMP CCCc1cc(N2CCC([NH2+]CCCc3ccc(O)cc3)CC2)nc(C)[nH+]1 ZINC000096133442 132219896 /nfs/dbraw/zinc/21/98/96/132219896.db2.gz ORAVMHGYUFZHSS-UHFFFAOYSA-N 2 1 368.525 3.634 50 0 FHAAMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000082127074 527391887 /nfs/dbraw/zinc/39/18/87/527391887.db2.gz KYXKZPNGZUEAAP-NRFANRHFSA-N 2 1 368.525 3.787 50 0 FHAAMP Cc1[nH+]ccn1CCC1CC[NH+](Cc2cc(=O)c3cc(C)ccc3[nH]2)CC1 ZINC000091769199 570437929 /nfs/dbraw/zinc/43/79/29/570437929.db2.gz FQVKMIRAYPVCGK-UHFFFAOYSA-N 2 1 364.493 3.644 50 0 FHAAMP COc1cccc2c1OC[C@H](C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000095366689 570455476 /nfs/dbraw/zinc/45/54/76/570455476.db2.gz BJUAVEDENSMDEU-IBGZPJMESA-N 2 1 366.505 3.501 50 0 FHAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000095382769 570459374 /nfs/dbraw/zinc/45/93/74/570459374.db2.gz MIHGCEJHYBDPOL-OAQYLSRUSA-N 2 1 374.488 3.578 50 0 FHAAMP Cc1nccn1CCC[NH+]1CCC2(C[C@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095511437 570465845 /nfs/dbraw/zinc/46/58/45/570465845.db2.gz YASLDDFKRWNICI-NRFANRHFSA-N 2 1 352.526 3.536 50 0 FHAAMP COc1cccc(COc2ccccc2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000097522476 570489880 /nfs/dbraw/zinc/48/98/80/570489880.db2.gz NSLXUTCHBRGYSC-HSZRJFAPSA-N 2 1 366.505 3.850 50 0 FHAAMP COc1cccc(COc2ccccc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000097522476 570489882 /nfs/dbraw/zinc/48/98/82/570489882.db2.gz NSLXUTCHBRGYSC-HSZRJFAPSA-N 2 1 366.505 3.850 50 0 FHAAMP CCn1nc(C)c(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)c1C ZINC000011874540 570710851 /nfs/dbraw/zinc/71/08/51/570710851.db2.gz GHNJPFGRAODTRZ-UHFFFAOYSA-N 2 1 358.530 3.765 50 0 FHAAMP CC[NH+](CC)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000012714649 570757628 /nfs/dbraw/zinc/75/76/28/570757628.db2.gz FKUUTFAETYDGER-JOCHJYFZSA-N 2 1 363.590 3.613 50 0 FHAAMP CCn1nc(C)c(C[N@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)c1C ZINC000012714878 570757646 /nfs/dbraw/zinc/75/76/46/570757646.db2.gz ZPFYMRIUWROXLR-QFIPXVFZSA-N 2 1 368.569 3.906 50 0 FHAAMP CCn1nc(C)c(C[N@@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)c1C ZINC000012714878 570757647 /nfs/dbraw/zinc/75/76/47/570757647.db2.gz ZPFYMRIUWROXLR-QFIPXVFZSA-N 2 1 368.569 3.906 50 0 FHAAMP CCn1nc(C)c(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)c1C ZINC000012714878 570757652 /nfs/dbraw/zinc/75/76/52/570757652.db2.gz ZPFYMRIUWROXLR-QFIPXVFZSA-N 2 1 368.569 3.906 50 0 FHAAMP CCn1nc(C)c(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000012714878 570757655 /nfs/dbraw/zinc/75/76/55/570757655.db2.gz ZPFYMRIUWROXLR-QFIPXVFZSA-N 2 1 368.569 3.906 50 0 FHAAMP CCC[NH+]1CCC([N@H+]2CCC[C@@](Cc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000020204012 570913191 /nfs/dbraw/zinc/91/31/91/570913191.db2.gz BMDGAEKUZCTZEV-QHCPKHFHSA-N 2 1 372.553 3.749 50 0 FHAAMP Cc1ccc(C[N@@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000252482267 571131913 /nfs/dbraw/zinc/13/19/13/571131913.db2.gz DBWZXOAHPHOXLR-UHFFFAOYSA-N 2 1 369.578 3.839 50 0 FHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(C)c(C)c3)c2)C1 ZINC000072144055 571172430 /nfs/dbraw/zinc/17/24/30/571172430.db2.gz BLHFOOVZJBKCGX-HXUWFJFHSA-N 2 1 363.509 3.906 50 0 FHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(C)c(C)c3)c2)C1 ZINC000072144055 571172432 /nfs/dbraw/zinc/17/24/32/571172432.db2.gz BLHFOOVZJBKCGX-HXUWFJFHSA-N 2 1 363.509 3.906 50 0 FHAAMP COc1ccnc(C[N@@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1OC ZINC000072155950 571175068 /nfs/dbraw/zinc/17/50/68/571175068.db2.gz KHEJKGWITISWQC-FQEVSTJZSA-N 2 1 369.509 3.888 50 0 FHAAMP COc1ccnc(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1OC ZINC000072155950 571175070 /nfs/dbraw/zinc/17/50/70/571175070.db2.gz KHEJKGWITISWQC-FQEVSTJZSA-N 2 1 369.509 3.888 50 0 FHAAMP Cn1ncc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c1C1CC1 ZINC000072424946 571194141 /nfs/dbraw/zinc/19/41/41/571194141.db2.gz DLJQJLPGGYDVLP-UHFFFAOYSA-N 2 1 352.526 3.642 50 0 FHAAMP CN(C)c1ncc(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)s1 ZINC000072469307 571198329 /nfs/dbraw/zinc/19/83/29/571198329.db2.gz MSSAARTUBNNNFO-LJQANCHMSA-N 2 1 358.555 3.998 50 0 FHAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3[nH]cnc3C)CC2)C1 ZINC000091665312 571242107 /nfs/dbraw/zinc/24/21/07/571242107.db2.gz MEJPUJAJMSQYHF-HXUWFJFHSA-N 2 1 352.526 3.810 50 0 FHAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)cc1F ZINC000063549009 205293708 /nfs/dbraw/zinc/29/37/08/205293708.db2.gz LHXRTQCOKDQDGS-UHFFFAOYSA-N 2 1 361.424 4.000 50 0 FHAAMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000170614630 206274372 /nfs/dbraw/zinc/27/43/72/206274372.db2.gz PYDJQKFWHSKERD-RXVVDRJESA-N 2 1 357.542 3.593 50 0 FHAAMP Cc1cc(C)c2[nH+]ccc(N3CCC4(CC3)c3[nH]cnc3CC[N@@H+]4C)c2c1 ZINC000091987641 132205275 /nfs/dbraw/zinc/20/52/75/132205275.db2.gz GZTXLMQXIWXLAP-UHFFFAOYSA-N 2 1 361.493 3.558 50 0 FHAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCCCC2)cc1 ZINC000020537881 523341836 /nfs/dbraw/zinc/34/18/36/523341836.db2.gz VXILIUXKXLAAMH-JOCHJYFZSA-N 2 1 368.521 3.544 50 0 FHAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cccnc3N)CC2)C1 ZINC000092066511 570446593 /nfs/dbraw/zinc/44/65/93/570446593.db2.gz GBPHLNUOPWUZRZ-NRFANRHFSA-N 2 1 364.537 3.755 50 0 FHAAMP Cc1nc[nH]c1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095389128 570460564 /nfs/dbraw/zinc/46/05/64/570460564.db2.gz SUMWUYJVFDSNJH-HXUWFJFHSA-N 2 1 364.537 3.952 50 0 FHAAMP C[C@@H]1CCCC[N@H+]1C1CN(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000096131830 570476355 /nfs/dbraw/zinc/47/63/55/570476355.db2.gz MUUDUPLGBNFTRO-GOSISDBHSA-N 2 1 370.541 3.763 50 0 FHAAMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000075760823 570633058 /nfs/dbraw/zinc/63/30/58/570633058.db2.gz QRJLPBLJAZZBKS-UHFFFAOYSA-N 2 1 353.510 3.871 50 0 FHAAMP CC[N@H+](Cc1nccn1C)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000011818851 570708164 /nfs/dbraw/zinc/70/81/64/570708164.db2.gz LASUFDNLEWGYQB-UHFFFAOYSA-N 2 1 354.542 3.505 50 0 FHAAMP C[N@@H+](CCCn1cccn1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011880124 570711235 /nfs/dbraw/zinc/71/12/35/570711235.db2.gz RJUCHCSNQMJAKC-FQEVSTJZSA-N 2 1 374.960 3.813 50 0 FHAAMP C[NH+](CCCn1cccn1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011880124 570711239 /nfs/dbraw/zinc/71/12/39/570711239.db2.gz RJUCHCSNQMJAKC-FQEVSTJZSA-N 2 1 374.960 3.813 50 0 FHAAMP C[NH+](CCCn1cccn1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011880124 570711243 /nfs/dbraw/zinc/71/12/43/570711243.db2.gz RJUCHCSNQMJAKC-FQEVSTJZSA-N 2 1 374.960 3.813 50 0 FHAAMP CC(C)n1cc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cn1 ZINC000012478891 570748648 /nfs/dbraw/zinc/74/86/48/570748648.db2.gz GGXGLBKSDCGUPN-UHFFFAOYSA-N 2 1 372.532 3.990 50 0 FHAAMP Fc1ccccc1C[NH+]1CCC(C[N@@H+](CC2CC2)C[C@H]2CCCO2)CC1 ZINC000012707377 571050975 /nfs/dbraw/zinc/05/09/75/571050975.db2.gz UFPHXPLBZUJCDA-OAQYLSRUSA-N 2 1 360.517 3.929 50 0 FHAAMP Cc1cc(N2CCC[N@H+](Cc3cn(C)nc3-c3ccccc3)CC2)cc[nH+]1 ZINC000072147392 571173817 /nfs/dbraw/zinc/17/38/17/571173817.db2.gz LPUUXSORWVZXNL-UHFFFAOYSA-N 2 1 361.493 3.503 50 0 FHAAMP OC1(c2ccc(Cl)cc2)CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000299790761 571200681 /nfs/dbraw/zinc/20/06/81/571200681.db2.gz BRCSWNJTFWSIFB-FXAWDEMLSA-N 2 1 362.945 3.888 50 0 FHAAMP OC1(c2ccc(Cl)cc2)CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000299790761 571200685 /nfs/dbraw/zinc/20/06/85/571200685.db2.gz BRCSWNJTFWSIFB-FXAWDEMLSA-N 2 1 362.945 3.888 50 0 FHAAMP [NH3+]CCc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000077425215 571211225 /nfs/dbraw/zinc/21/12/25/571211225.db2.gz MGPYKAKRFDDYGI-HXUWFJFHSA-N 2 1 352.457 3.930 50 0 FHAAMP [NH3+]CCc1cccc(C[N@H+]2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000077425215 571211227 /nfs/dbraw/zinc/21/12/27/571211227.db2.gz MGPYKAKRFDDYGI-HXUWFJFHSA-N 2 1 352.457 3.930 50 0 FHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccn2)no1 ZINC000077489125 571213431 /nfs/dbraw/zinc/21/34/31/571213431.db2.gz YQTTVUZSVSIMTJ-KRWDZBQOSA-N 2 1 351.454 3.686 50 0 FHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccn2)no1 ZINC000077489125 571213433 /nfs/dbraw/zinc/21/34/33/571213433.db2.gz YQTTVUZSVSIMTJ-KRWDZBQOSA-N 2 1 351.454 3.686 50 0 FHAAMP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3nccn3C)CC2)C1 ZINC000091713446 571242757 /nfs/dbraw/zinc/24/27/57/571242757.db2.gz VYOVYETYGDJMIY-HXUWFJFHSA-N 2 1 352.526 3.512 50 0 FHAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3nccn3C)CC2)C1 ZINC000091713446 571242759 /nfs/dbraw/zinc/24/27/59/571242759.db2.gz VYOVYETYGDJMIY-HXUWFJFHSA-N 2 1 352.526 3.512 50 0 FHAAMP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3nccn3C)CC2)C1 ZINC000091713447 571242800 /nfs/dbraw/zinc/24/28/00/571242800.db2.gz VYOVYETYGDJMIY-FQEVSTJZSA-N 2 1 352.526 3.512 50 0 FHAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3nccn3C)CC2)C1 ZINC000091713447 571242803 /nfs/dbraw/zinc/24/28/03/571242803.db2.gz VYOVYETYGDJMIY-FQEVSTJZSA-N 2 1 352.526 3.512 50 0 FHAAMP c1coc([C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH+](CC2CC2)CC3)n1 ZINC000675013433 943615130 /nfs/dbraw/zinc/61/51/30/943615130.db2.gz DOAXARLTJRVLDN-FQEVSTJZSA-N 2 1 351.494 3.766 50 0 FHAAMP c1coc([C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH+](CC2CC2)CC3)n1 ZINC000675013434 943615194 /nfs/dbraw/zinc/61/51/94/943615194.db2.gz DOAXARLTJRVLDN-HXUWFJFHSA-N 2 1 351.494 3.766 50 0 FHAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000106942581 209274384 /nfs/dbraw/zinc/27/43/84/209274384.db2.gz YOZZITXHJIIVLG-JOCHJYFZSA-N 2 1 372.532 3.953 50 0 FHAAMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000106942581 209274385 /nfs/dbraw/zinc/27/43/85/209274385.db2.gz YOZZITXHJIIVLG-JOCHJYFZSA-N 2 1 372.532 3.953 50 0 FHAAMP COc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ncc[nH]2)CC(C)C)CC1 ZINC000012201749 207347608 /nfs/dbraw/zinc/34/76/08/207347608.db2.gz KNTLODHIRALUAT-UHFFFAOYSA-N 2 1 370.541 3.789 50 0 FHAAMP COc1ccc([C@@H](CNC(=[NH2+])NCc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000058112146 208555712 /nfs/dbraw/zinc/55/57/12/208555712.db2.gz LHEWNSAQXJQRPO-OAQYLSRUSA-N 2 1 366.509 3.536 50 0 FHAAMP C[C@H](CC1(C)CC1)[NH+]1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000063883514 208610618 /nfs/dbraw/zinc/61/06/18/208610618.db2.gz LXALMUNPVKTYML-GOSISDBHSA-N 2 1 359.562 3.870 50 0 FHAAMP CCCCSc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(N)[nH+]1 ZINC000095360066 209027703 /nfs/dbraw/zinc/02/77/03/209027703.db2.gz XGOQUIFPXLRRIW-INIZCTEOSA-N 2 1 357.527 3.637 50 0 FHAAMP CCCCSc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(N)[nH+]1 ZINC000095360066 209027705 /nfs/dbraw/zinc/02/77/05/209027705.db2.gz XGOQUIFPXLRRIW-INIZCTEOSA-N 2 1 357.527 3.637 50 0 FHAAMP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2nc3ccccc3s2)CC1 ZINC000095370077 209032986 /nfs/dbraw/zinc/03/29/86/209032986.db2.gz FNVXBDAVMAKFBS-UHFFFAOYSA-N 2 1 369.538 3.829 50 0 FHAAMP Cc1cc(N2CC[NH+](Cc3cc(C[NH+]4CCCCC4)cs3)CC2)cc[nH+]1 ZINC000097480194 132229314 /nfs/dbraw/zinc/22/93/14/132229314.db2.gz NICUCCQDPQNQMD-UHFFFAOYSA-N 3 1 370.566 3.760 50 0 FHAAMP COc1ccc(C[N@@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)cc1O ZINC000072474884 136149090 /nfs/dbraw/zinc/14/90/90/136149090.db2.gz ANNXKOJLHSSMER-UHFFFAOYSA-N 2 1 367.493 3.739 50 0 FHAAMP COc1ccc(C[N@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)cc1O ZINC000072474884 136149091 /nfs/dbraw/zinc/14/90/91/136149091.db2.gz ANNXKOJLHSSMER-UHFFFAOYSA-N 2 1 367.493 3.739 50 0 FHAAMP Cc1cc(N2CCC[N@@H+](Cc3ccc([C@H]4CCCCO4)o3)CC2)cc[nH+]1 ZINC000244899350 525066576 /nfs/dbraw/zinc/06/65/76/525066576.db2.gz ZIFMVYWTUXRQIK-HXUWFJFHSA-N 2 1 355.482 3.937 50 0 FHAAMP CN1Cc2ccccc2C[C@@H]1C[N@@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000216050379 568102735 /nfs/dbraw/zinc/10/27/35/568102735.db2.gz XEKWJZOYOXGDBF-HXUWFJFHSA-N 2 1 369.578 3.832 50 0 FHAAMP CN(Cc1ccc(C[NH+]2CCCC2)s1)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000216050379 568102736 /nfs/dbraw/zinc/10/27/36/568102736.db2.gz XEKWJZOYOXGDBF-HXUWFJFHSA-N 2 1 369.578 3.832 50 0 FHAAMP CN(Cc1ccc(C[NH+]2CCCC2)s1)C[C@H]1Cc2ccccc2C[N@H+]1C ZINC000216050379 568102737 /nfs/dbraw/zinc/10/27/37/568102737.db2.gz XEKWJZOYOXGDBF-HXUWFJFHSA-N 2 1 369.578 3.832 50 0 FHAAMP CC[N@@H+](CCCn1cccn1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000014956759 570826829 /nfs/dbraw/zinc/82/68/29/570826829.db2.gz QCBHENXKQAEDMR-UHFFFAOYSA-N 2 1 368.569 3.858 50 0 FHAAMP COc1ccc([C@H](CNC(=[NH2+])NCc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000058112152 571125330 /nfs/dbraw/zinc/12/53/30/571125330.db2.gz LHEWNSAQXJQRPO-NRFANRHFSA-N 2 1 366.509 3.536 50 0 FHAAMP COc1cc(O[C@@]23CC[N@@H+](C2)CCC3)cc(Cl)c1CN1CCCC1 ZINC000067847061 571150395 /nfs/dbraw/zinc/15/03/95/571150395.db2.gz GLFVJOYIVWJUDA-IBGZPJMESA-N 2 1 350.890 3.562 50 0 FHAAMP COc1cc(O[C@@]23CC[N@@H+](C2)CCC3)cc(Cl)c1C[NH+]1CCCC1 ZINC000067847061 571150398 /nfs/dbraw/zinc/15/03/98/571150398.db2.gz GLFVJOYIVWJUDA-IBGZPJMESA-N 2 1 350.890 3.562 50 0 FHAAMP COCc1ccc(C[N@@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)o1 ZINC000020540796 941896069 /nfs/dbraw/zinc/89/60/69/941896069.db2.gz SFQMPGRAZHRWOC-UHFFFAOYSA-N 2 1 356.510 3.813 50 0 FHAAMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@](C)(O)c1ccccc1 ZINC000179395980 942226583 /nfs/dbraw/zinc/22/65/83/942226583.db2.gz BXPIUIUMAIHQJH-QFIPXVFZSA-N 2 1 353.510 3.528 50 0 FHAAMP CC(C)c1nnc([C@@H]2C[N@@H+](C)CC23CC[NH+](Cc2ccsc2)CC3)o1 ZINC000257174416 942460009 /nfs/dbraw/zinc/46/00/09/942460009.db2.gz GRBGUHFJEOEEFQ-INIZCTEOSA-N 2 1 360.527 3.566 50 0 FHAAMP C[NH2+][C@@H](c1nc(C2CCCC2)nn1C1CC[NH+](C)CC1)c1ccccc1 ZINC000096130363 209116058 /nfs/dbraw/zinc/11/60/58/209116058.db2.gz OAAPIVSNTWUHNG-LJQANCHMSA-N 2 1 353.514 3.511 50 0 FHAAMP FC(F)(F)CCC[N@H+]1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012317913 207360226 /nfs/dbraw/zinc/36/02/26/207360226.db2.gz AQOHIPFUQCFQEM-SFHVURJKSA-N 2 1 355.448 3.958 50 0 FHAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cccc4c3OCO4)CC2)o1 ZINC000012442541 207379083 /nfs/dbraw/zinc/37/90/83/207379083.db2.gz MXUACPWFSQZCDZ-UHFFFAOYSA-N 2 1 356.466 3.661 50 0 FHAAMP C[NH+](C)Cc1cccc(C[N@H+]2CCCC23CCN(c2ccccn2)CC3)c1 ZINC000072454807 536028323 /nfs/dbraw/zinc/02/83/23/536028323.db2.gz REVZOMDTSJCNGJ-UHFFFAOYSA-N 2 1 364.537 3.778 50 0 FHAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cccc(O)c3)CC2)cc1 ZINC000012072745 570716433 /nfs/dbraw/zinc/71/64/33/570716433.db2.gz UIVPFQGFXGYKAV-UHFFFAOYSA-N 2 1 368.521 3.787 50 0 FHAAMP CCn1nc(C)c(C[N@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)c1C ZINC000012714875 570757819 /nfs/dbraw/zinc/75/78/19/570757819.db2.gz ZPFYMRIUWROXLR-JOCHJYFZSA-N 2 1 368.569 3.906 50 0 FHAAMP CCn1nc(C)c(C[N@@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)c1C ZINC000012714875 570757823 /nfs/dbraw/zinc/75/78/23/570757823.db2.gz ZPFYMRIUWROXLR-JOCHJYFZSA-N 2 1 368.569 3.906 50 0 FHAAMP CCn1nc(C)c(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000012714875 570757826 /nfs/dbraw/zinc/75/78/26/570757826.db2.gz ZPFYMRIUWROXLR-JOCHJYFZSA-N 2 1 368.569 3.906 50 0 FHAAMP CCn1nc(C)c(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000012714875 570757831 /nfs/dbraw/zinc/75/78/31/570757831.db2.gz ZPFYMRIUWROXLR-JOCHJYFZSA-N 2 1 368.569 3.906 50 0 FHAAMP CCn1c(C[N@H+](C)CCC23CC4CC(CC(C4)C2)C3)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243919612 571112908 /nfs/dbraw/zinc/11/29/08/571112908.db2.gz BPSPDSJHUHTIOE-CAZKFNJPSA-N 2 1 371.573 3.541 50 0 FHAAMP CCn1c(C[N@@H+](C)CCC23CC4CC(CC(C4)C2)C3)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243919612 571112909 /nfs/dbraw/zinc/11/29/09/571112909.db2.gz BPSPDSJHUHTIOE-CAZKFNJPSA-N 2 1 371.573 3.541 50 0 FHAAMP C[N@H+](C[C@H]1CCC[NH+](CCc2ccccc2F)C1)C1CCSCC1 ZINC000055244257 571118452 /nfs/dbraw/zinc/11/84/52/571118452.db2.gz OSRWTTKQWWVUQZ-QGZVFWFLSA-N 2 1 350.547 3.908 50 0 FHAAMP C[N@@H+](C[C@H]1CCC[NH+](CCc2ccccc2F)C1)C1CCSCC1 ZINC000055244257 571118453 /nfs/dbraw/zinc/11/84/53/571118453.db2.gz OSRWTTKQWWVUQZ-QGZVFWFLSA-N 2 1 350.547 3.908 50 0 FHAAMP C[NH+](C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C1CCSCC1 ZINC000055244257 571118455 /nfs/dbraw/zinc/11/84/55/571118455.db2.gz OSRWTTKQWWVUQZ-QGZVFWFLSA-N 2 1 350.547 3.908 50 0 FHAAMP C[NH+](C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C1CCSCC1 ZINC000055244257 571118456 /nfs/dbraw/zinc/11/84/56/571118456.db2.gz OSRWTTKQWWVUQZ-QGZVFWFLSA-N 2 1 350.547 3.908 50 0 FHAAMP C[NH2+]CCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000057263116 571122286 /nfs/dbraw/zinc/12/22/86/571122286.db2.gz IPPSIYDSVTXVEP-UHFFFAOYSA-N 2 1 366.864 3.766 50 0 FHAAMP Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](CC2CC[NH2+]CC2)CCO3)s1 ZINC000067964924 571152509 /nfs/dbraw/zinc/15/25/09/571152509.db2.gz QSAZHFMPMKGEHH-UHFFFAOYSA-N 2 1 358.507 3.623 50 0 FHAAMP C[NH+](C)CC(C)(C)C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072128306 571170697 /nfs/dbraw/zinc/17/06/97/571170697.db2.gz YTZUJTDEPXUGDE-UHFFFAOYSA-N 2 1 358.448 3.577 50 0 FHAAMP Cc1cc(-n2cccn2)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000072419758 571192945 /nfs/dbraw/zinc/19/29/45/571192945.db2.gz BCIGAYVNGOCHCT-HSZRJFAPSA-N 2 1 364.537 3.879 50 0 FHAAMP Cc1cc(-n2cccn2)ccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000072419758 571192946 /nfs/dbraw/zinc/19/29/46/571192946.db2.gz BCIGAYVNGOCHCT-HSZRJFAPSA-N 2 1 364.537 3.879 50 0 FHAAMP Cc1cc(-n2cccn2)ccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000072419758 571192947 /nfs/dbraw/zinc/19/29/47/571192947.db2.gz BCIGAYVNGOCHCT-HSZRJFAPSA-N 2 1 364.537 3.879 50 0 FHAAMP [NH3+]CCc1ccc(C[N@H+]2CCC[C@H](C(=O)CCc3ccccc3)C2)cc1 ZINC000072438436 571196778 /nfs/dbraw/zinc/19/67/78/571196778.db2.gz BXNOHIFDAVBEPK-QFIPXVFZSA-N 2 1 350.506 3.602 50 0 FHAAMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])NCc2ccccc2)C1 ZINC000057887171 571345905 /nfs/dbraw/zinc/34/59/05/571345905.db2.gz VUJHIYGIBRMEET-SFHVURJKSA-N 2 1 350.510 3.733 50 0 FHAAMP O[C@H]1[C@H]([N@@H+]2CC=C(c3ccccc3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000023232292 937186873 /nfs/dbraw/zinc/18/68/73/937186873.db2.gz IJKVOYUDTPKBPB-PKTZIBPZSA-N 2 1 360.501 3.513 50 0 FHAAMP COCCC[N@@H+]1CCc2nc[nH]c2[C@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675011767 943609266 /nfs/dbraw/zinc/60/92/66/943609266.db2.gz BQFFJOXBNWVDEH-JOCHJYFZSA-N 2 1 374.573 3.638 50 0 FHAAMP COCCC[N@H+]1CCc2nc[nH]c2[C@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675011767 943609274 /nfs/dbraw/zinc/60/92/74/943609274.db2.gz BQFFJOXBNWVDEH-JOCHJYFZSA-N 2 1 374.573 3.638 50 0 FHAAMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237564907 209350231 /nfs/dbraw/zinc/35/02/31/209350231.db2.gz SIFJTXFRBYLKEX-BVYCBKJFSA-N 2 1 365.521 3.588 50 0 FHAAMP c1cc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)co1 ZINC000011787682 207321655 /nfs/dbraw/zinc/32/16/55/207321655.db2.gz LAAJXJQOOXDKID-GOSISDBHSA-N 2 1 372.538 3.637 50 0 FHAAMP CCCn1cc(C[N@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)c(C)n1 ZINC000012301912 207354843 /nfs/dbraw/zinc/35/48/43/207354843.db2.gz WJAHRVFVZGMPNY-JOCHJYFZSA-N 2 1 368.569 3.988 50 0 FHAAMP CCCn1cc(C[N@@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)c(C)n1 ZINC000012301912 207354846 /nfs/dbraw/zinc/35/48/46/207354846.db2.gz WJAHRVFVZGMPNY-JOCHJYFZSA-N 2 1 368.569 3.988 50 0 FHAAMP CCCn1cc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000012301912 207354849 /nfs/dbraw/zinc/35/48/49/207354849.db2.gz WJAHRVFVZGMPNY-JOCHJYFZSA-N 2 1 368.569 3.988 50 0 FHAAMP CCCn1cc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000012301912 207354855 /nfs/dbraw/zinc/35/48/55/207354855.db2.gz WJAHRVFVZGMPNY-JOCHJYFZSA-N 2 1 368.569 3.988 50 0 FHAAMP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)n(-c2cccnc2)c1 ZINC000012307647 207358820 /nfs/dbraw/zinc/35/88/20/207358820.db2.gz SBJCTYASCIUZAH-QFIPXVFZSA-N 2 1 350.510 3.570 50 0 FHAAMP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)n(-c2cccnc2)c1 ZINC000012307647 207358827 /nfs/dbraw/zinc/35/88/27/207358827.db2.gz SBJCTYASCIUZAH-QFIPXVFZSA-N 2 1 350.510 3.570 50 0 FHAAMP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)n(-c2cccnc2)c1 ZINC000012307647 207358833 /nfs/dbraw/zinc/35/88/33/207358833.db2.gz SBJCTYASCIUZAH-QFIPXVFZSA-N 2 1 350.510 3.570 50 0 FHAAMP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)n(-c2cccnc2)c1 ZINC000012307647 207358839 /nfs/dbraw/zinc/35/88/39/207358839.db2.gz SBJCTYASCIUZAH-QFIPXVFZSA-N 2 1 350.510 3.570 50 0 FHAAMP Cc1ncc(C[N@H+]2CC[C@@H](C3CC[NH+](CCc4ccccc4)CC3)C2)cn1 ZINC000012577404 207396585 /nfs/dbraw/zinc/39/65/85/207396585.db2.gz KEWNXHSZINNMOK-HSZRJFAPSA-N 2 1 364.537 3.562 50 0 FHAAMP CCc1cc(N2CCC([NH2+]CCCc3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000095505861 132212466 /nfs/dbraw/zinc/21/24/66/132212466.db2.gz VUYSQZKYDPBJLS-UHFFFAOYSA-N 2 1 356.489 3.678 50 0 FHAAMP CCCc1cc(N2CCC([N@H+](C)CCc3scnc3C)CC2)nc(C)[nH+]1 ZINC000095521816 132214213 /nfs/dbraw/zinc/21/42/13/132214213.db2.gz NUDHDUOKEPSTBI-UHFFFAOYSA-N 2 1 373.570 3.646 50 0 FHAAMP CCCc1cc(N2CCC([N@@H+](C)CCc3scnc3C)CC2)nc(C)[nH+]1 ZINC000095521816 132214214 /nfs/dbraw/zinc/21/42/14/132214214.db2.gz NUDHDUOKEPSTBI-UHFFFAOYSA-N 2 1 373.570 3.646 50 0 FHAAMP C[NH+](C)CCC[N@@H+](C)C1CCN(c2cccc(-c3cscn3)c2)CC1 ZINC000063833196 136133064 /nfs/dbraw/zinc/13/30/64/136133064.db2.gz SFOZVHVKTYPLBL-UHFFFAOYSA-N 2 1 358.555 3.662 50 0 FHAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH+]2CCCCC2)cc1 ZINC000020537884 523341331 /nfs/dbraw/zinc/34/13/31/523341331.db2.gz VXILIUXKXLAAMH-QFIPXVFZSA-N 2 1 368.521 3.544 50 0 FHAAMP OC[C@H]1C[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C[C@H]1C[NH+]1CCCC1 ZINC000091364470 527621365 /nfs/dbraw/zinc/62/13/65/527621365.db2.gz WRLYSZKIKYTAMJ-QZTJIDSGSA-N 2 1 374.912 3.736 50 0 FHAAMP OC[C@H]1C[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C[C@H]1C[NH+]1CCCC1 ZINC000091364470 527621372 /nfs/dbraw/zinc/62/13/72/527621372.db2.gz WRLYSZKIKYTAMJ-QZTJIDSGSA-N 2 1 374.912 3.736 50 0 FHAAMP OCc1ccc(C[C@H]2CC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)cc1 ZINC000091595641 527633386 /nfs/dbraw/zinc/63/33/86/527633386.db2.gz NCNYTOZTDKLSNW-HXUWFJFHSA-N 2 1 370.562 3.901 50 0 FHAAMP C[NH+](C)Cc1csc(C[N@H+]2CCCC23CCN(c2ccccn2)CC3)c1 ZINC000072480963 536060856 /nfs/dbraw/zinc/06/08/56/536060856.db2.gz GQMYXNDXBPDZJK-UHFFFAOYSA-N 2 1 370.566 3.840 50 0 FHAAMP O=C(c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000215248772 568060017 /nfs/dbraw/zinc/06/00/17/568060017.db2.gz SNUSSVZURNTBCJ-QGZVFWFLSA-N 2 1 369.534 3.834 50 0 FHAAMP O=C(c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000215248772 568060018 /nfs/dbraw/zinc/06/00/18/568060018.db2.gz SNUSSVZURNTBCJ-QGZVFWFLSA-N 2 1 369.534 3.834 50 0 FHAAMP C[N@@H+](C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1)C1CCOCC1 ZINC000012703907 570756967 /nfs/dbraw/zinc/75/69/67/570756967.db2.gz LWWDRVDJLKIDRX-GOSISDBHSA-N 2 1 350.934 3.705 50 0 FHAAMP C[NH+](C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C1CCOCC1 ZINC000012703907 570756972 /nfs/dbraw/zinc/75/69/72/570756972.db2.gz LWWDRVDJLKIDRX-GOSISDBHSA-N 2 1 350.934 3.705 50 0 FHAAMP C[NH+](C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C1CCOCC1 ZINC000012703907 570756975 /nfs/dbraw/zinc/75/69/75/570756975.db2.gz LWWDRVDJLKIDRX-GOSISDBHSA-N 2 1 350.934 3.705 50 0 FHAAMP CCCOc1ccc(CC[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000055225439 571117799 /nfs/dbraw/zinc/11/77/99/571117799.db2.gz MJVXHNPIPIKWFZ-VQTJNVASSA-N 2 1 360.542 3.881 50 0 FHAAMP C[NH+]1CCC(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000072150867 571174496 /nfs/dbraw/zinc/17/44/96/571174496.db2.gz OBTIOJSWRDKMHE-UHFFFAOYSA-N 2 1 363.549 3.735 50 0 FHAAMP CNc1nc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)cs1 ZINC000091643671 571241633 /nfs/dbraw/zinc/24/16/33/571241633.db2.gz IPKHVDZTOSRSHL-GOSISDBHSA-N 2 1 370.566 3.886 50 0 FHAAMP CNc1nc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)cs1 ZINC000091643671 571241635 /nfs/dbraw/zinc/24/16/35/571241635.db2.gz IPKHVDZTOSRSHL-GOSISDBHSA-N 2 1 370.566 3.886 50 0 FHAAMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000170676408 571284940 /nfs/dbraw/zinc/28/49/40/571284940.db2.gz YXMKEUDBGAPEKE-HNNXBMFYSA-N 2 1 367.415 3.816 50 0 FHAAMP Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3cc(C[NH+]4CCCCC4)cs3)C2)n1 ZINC000097413189 209179748 /nfs/dbraw/zinc/17/97/48/209179748.db2.gz DARWHFAKCHSWJB-LJQANCHMSA-N 2 1 358.555 3.994 50 0 FHAAMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000032927274 208057880 /nfs/dbraw/zinc/05/78/80/208057880.db2.gz DGTATBUMLIIHQL-LJQANCHMSA-N 2 1 357.542 3.910 50 0 FHAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2C)c(OC)c1 ZINC000040720574 208263626 /nfs/dbraw/zinc/26/36/26/208263626.db2.gz FNTQQAZPOJEHRX-UHFFFAOYSA-N 2 1 362.901 3.935 50 0 FHAAMP COc1cc(C)c(C[N@@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)cc1C(C)C ZINC000091931258 209005048 /nfs/dbraw/zinc/00/50/48/209005048.db2.gz BQNFZCJMLGXHQW-NQIIRXRSSA-N 2 1 362.558 3.652 50 0 FHAAMP COc1cc(C)c(C[N@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)cc1C(C)C ZINC000091931258 209005053 /nfs/dbraw/zinc/00/50/53/209005053.db2.gz BQNFZCJMLGXHQW-NQIIRXRSSA-N 2 1 362.558 3.652 50 0 FHAAMP Cc1nccn1CCC[NH+]1CCC2(C[C@@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095511438 209069627 /nfs/dbraw/zinc/06/96/27/209069627.db2.gz YASLDDFKRWNICI-OAQYLSRUSA-N 2 1 352.526 3.536 50 0 FHAAMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000263357948 525243661 /nfs/dbraw/zinc/24/36/61/525243661.db2.gz SIFJTXFRBYLKEX-COPCDDAFSA-N 2 1 365.521 3.588 50 0 FHAAMP Cc1ccc(C[N@H+](C)Cc2cc(C)cc(CN3CC[NH+](C)CC3)c2C)o1 ZINC000215290133 568062209 /nfs/dbraw/zinc/06/22/09/568062209.db2.gz PMWDIPPREILETF-UHFFFAOYSA-N 2 1 355.526 3.584 50 0 FHAAMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4F)o3)C2)CC1 ZINC000215824807 568090874 /nfs/dbraw/zinc/09/08/74/568090874.db2.gz YGFLCSKAJQYORB-SFHVURJKSA-N 2 1 371.500 3.545 50 0 FHAAMP CC1=C(CC[N@@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)C(C)(C)CCC1 ZINC000221421426 568405180 /nfs/dbraw/zinc/40/51/80/568405180.db2.gz CXCWXOHVZDJGEP-OAQYLSRUSA-N 2 1 374.573 3.601 50 0 FHAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2([NH+]3CCCC3)CCCCC2)cc1 ZINC000223747090 568718835 /nfs/dbraw/zinc/71/88/35/568718835.db2.gz PZSDMDLOWXPTST-UHFFFAOYSA-N 2 1 366.509 3.596 50 0 FHAAMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000106922517 570894354 /nfs/dbraw/zinc/89/43/54/570894354.db2.gz ZTWSFFSBFYQQQV-HUUCEWRRSA-N 2 1 371.447 3.696 50 0 FHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000244873185 571118119 /nfs/dbraw/zinc/11/81/19/571118119.db2.gz WLIKDIOZOUGASG-KRWDZBQOSA-N 2 1 372.513 3.626 50 0 FHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000244873185 571118120 /nfs/dbraw/zinc/11/81/20/571118120.db2.gz WLIKDIOZOUGASG-KRWDZBQOSA-N 2 1 372.513 3.626 50 0 FHAAMP c1cnn(CCC2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000299799294 571202979 /nfs/dbraw/zinc/20/29/79/571202979.db2.gz RAWYIEJWBMZPSM-HSZRJFAPSA-N 2 1 366.553 3.897 50 0 FHAAMP [NH3+]CCc1cccc(C[N@@H+]2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000077425217 571211187 /nfs/dbraw/zinc/21/11/87/571211187.db2.gz MGPYKAKRFDDYGI-FQEVSTJZSA-N 2 1 352.457 3.930 50 0 FHAAMP [NH3+]CCc1cccc(C[N@H+]2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000077425217 571211190 /nfs/dbraw/zinc/21/11/90/571211190.db2.gz MGPYKAKRFDDYGI-FQEVSTJZSA-N 2 1 352.457 3.930 50 0 FHAAMP Clc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc2c1OCCO2 ZINC000057281496 571342495 /nfs/dbraw/zinc/34/24/95/571342495.db2.gz CVIPFPWGDUUODQ-UHFFFAOYSA-N 2 1 372.896 3.865 50 0 FHAAMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc2c(c1)CCO2 ZINC000162252437 940119654 /nfs/dbraw/zinc/11/96/54/940119654.db2.gz GLNZEPKBOHRPKF-HXUWFJFHSA-N 2 1 366.509 3.738 50 0 FHAAMP c1nc2c([nH]1)[C@H](C1CC[NH+](CC3CC3)CC1)[N@@H+](Cc1ccccc1)CC2 ZINC000675012240 943609790 /nfs/dbraw/zinc/60/97/90/943609790.db2.gz GILFMMQIZOFYFX-QFIPXVFZSA-N 2 1 350.510 3.631 50 0 FHAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)CC2)oc1C ZINC000162785622 944876959 /nfs/dbraw/zinc/87/69/59/944876959.db2.gz MTXNYANHADCFNM-OAHLLOKOSA-N 2 1 371.481 3.583 50 0 FHAAMP COC(=O)C1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000225515020 209816732 /nfs/dbraw/zinc/81/67/32/209816732.db2.gz FUZIRSBRHSAHJH-QUCCMNQESA-N 2 1 358.526 3.610 50 0 FHAAMP COCCn1c(C)cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000007779656 207206379 /nfs/dbraw/zinc/20/63/79/207206379.db2.gz HQVMJHXMAZZUGR-UHFFFAOYSA-N 2 1 355.526 3.506 50 0 FHAAMP C[NH+]1CCC([NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000011839453 207322928 /nfs/dbraw/zinc/32/29/28/207322928.db2.gz WNXMXVRRZGNQOW-IBGZPJMESA-N 2 1 356.489 3.709 50 0 FHAAMP CC[N@@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012308241 207359754 /nfs/dbraw/zinc/35/97/54/207359754.db2.gz SCNLWBCBVLKTOB-NRFANRHFSA-N 2 1 355.501 3.997 50 0 FHAAMP CC[N@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012308241 207359760 /nfs/dbraw/zinc/35/97/60/207359760.db2.gz SCNLWBCBVLKTOB-NRFANRHFSA-N 2 1 355.501 3.997 50 0 FHAAMP CC[NH+](Cc1ccncc1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012308241 207359765 /nfs/dbraw/zinc/35/97/65/207359765.db2.gz SCNLWBCBVLKTOB-NRFANRHFSA-N 2 1 355.501 3.997 50 0 FHAAMP CC[NH+](Cc1ccncc1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012308241 207359774 /nfs/dbraw/zinc/35/97/74/207359774.db2.gz SCNLWBCBVLKTOB-NRFANRHFSA-N 2 1 355.501 3.997 50 0 FHAAMP Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023580859 207849711 /nfs/dbraw/zinc/84/97/11/207849711.db2.gz HCIJHBQPKGEFGJ-QGZVFWFLSA-N 2 1 366.490 3.978 50 0 FHAAMP COCCn1cc[nH+]c1[C@H]1CCCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000091663467 132203037 /nfs/dbraw/zinc/20/30/37/132203037.db2.gz YUKVYLAGRXCVSD-KRWDZBQOSA-N 2 1 350.466 3.770 50 0 FHAAMP CC[NH+](CC)CCn1c2ccccc2n(CCOc2ccccc2C)c1=[NH2+] ZINC000020069480 520713559 /nfs/dbraw/zinc/71/35/59/520713559.db2.gz GVVBPJFLTPUFRB-UHFFFAOYSA-N 2 1 366.509 3.651 50 0 FHAAMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4F)o3)C2)CC1 ZINC000215824855 568090895 /nfs/dbraw/zinc/09/08/95/568090895.db2.gz YGFLCSKAJQYORB-GOSISDBHSA-N 2 1 371.500 3.545 50 0 FHAAMP C[C@@H](C1CC[NH+](Cc2[nH]c3ccccc3c2Cl)CC1)[NH+]1CCOCC1 ZINC000216274112 568115938 /nfs/dbraw/zinc/11/59/38/568115938.db2.gz UGHTVWSWGRZAFH-HNNXBMFYSA-N 2 1 361.917 3.754 50 0 FHAAMP CC1=C(CC[N@@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)C(C)(C)CCC1 ZINC000221421491 568405234 /nfs/dbraw/zinc/40/52/34/568405234.db2.gz CXCWXOHVZDJGEP-NRFANRHFSA-N 2 1 374.573 3.601 50 0 FHAAMP CCNC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C(C)C)cc1)C2 ZINC000426503257 570613287 /nfs/dbraw/zinc/61/32/87/570613287.db2.gz KCEYOHUGQZEISM-HSZRJFAPSA-N 2 1 371.569 3.624 50 0 FHAAMP CCNC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000426503257 570613291 /nfs/dbraw/zinc/61/32/91/570613291.db2.gz KCEYOHUGQZEISM-HSZRJFAPSA-N 2 1 371.569 3.624 50 0 FHAAMP CCNC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000426503257 570613294 /nfs/dbraw/zinc/61/32/94/570613294.db2.gz KCEYOHUGQZEISM-HSZRJFAPSA-N 2 1 371.569 3.624 50 0 FHAAMP C[N@@H+](C[C@@H](O)COc1ccccc1C[NH2+]C1CCCC1)C1CCCCC1 ZINC000012713054 570757938 /nfs/dbraw/zinc/75/79/38/570757938.db2.gz QHUMRKMKUMXTTN-OAQYLSRUSA-N 2 1 360.542 3.723 50 0 FHAAMP COc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc(OC)c1 ZINC000012752762 570760037 /nfs/dbraw/zinc/76/00/37/570760037.db2.gz WYVKGMLWBBQCTR-UHFFFAOYSA-N 2 1 372.509 3.949 50 0 FHAAMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCc3nc4ccccc4o3)C2)[nH+]1 ZINC000225542323 571044500 /nfs/dbraw/zinc/04/45/00/571044500.db2.gz VCMRGPARVWQNRV-KRWDZBQOSA-N 2 1 350.466 3.898 50 0 FHAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCc3nc4ccccc4o3)C2)[nH+]1 ZINC000225542323 571044502 /nfs/dbraw/zinc/04/45/02/571044502.db2.gz VCMRGPARVWQNRV-KRWDZBQOSA-N 2 1 350.466 3.898 50 0 FHAAMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072308821 571066430 /nfs/dbraw/zinc/06/64/30/571066430.db2.gz DXSSDAKQZKAAGY-GOSISDBHSA-N 2 1 353.510 3.832 50 0 FHAAMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072308821 571066434 /nfs/dbraw/zinc/06/64/34/571066434.db2.gz DXSSDAKQZKAAGY-GOSISDBHSA-N 2 1 353.510 3.832 50 0 FHAAMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072308821 571066436 /nfs/dbraw/zinc/06/64/36/571066436.db2.gz DXSSDAKQZKAAGY-GOSISDBHSA-N 2 1 353.510 3.832 50 0 FHAAMP C[C@H](c1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)o1)[NH+]1CCCCC1 ZINC000299782434 571198577 /nfs/dbraw/zinc/19/85/77/571198577.db2.gz NAZXLZPNUZEOBL-GOSISDBHSA-N 2 1 373.541 3.917 50 0 FHAAMP CCn1cc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(C)n1 ZINC000426428119 571224101 /nfs/dbraw/zinc/22/41/01/571224101.db2.gz QMILQZCWRHYJOD-UHFFFAOYSA-N 2 1 372.532 3.737 50 0 FHAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3[nH]cnc3C)CC2)C1 ZINC000091665313 571242021 /nfs/dbraw/zinc/24/20/21/571242021.db2.gz MEJPUJAJMSQYHF-FQEVSTJZSA-N 2 1 352.526 3.810 50 0 FHAAMP C[NH+](Cc1ccccc1)C[C@@H]1OC(C)(C)O[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000252500453 571281229 /nfs/dbraw/zinc/28/12/29/571281229.db2.gz SVXWEYMZCNCRQT-VXKWHMMOSA-N 2 1 368.521 3.771 50 0 FHAAMP CC(C)c1nnc([C@H]2C[N@@H+](C)CC23CC[NH+](Cc2ccsc2)CC3)o1 ZINC000257174417 942460403 /nfs/dbraw/zinc/46/04/03/942460403.db2.gz GRBGUHFJEOEEFQ-MRXNPFEDSA-N 2 1 360.527 3.566 50 0 FHAAMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000048711590 209332425 /nfs/dbraw/zinc/33/24/25/209332425.db2.gz HSBCNOKCIULSPZ-MRXNPFEDSA-N 2 1 358.917 3.716 50 0 FHAAMP C[NH2+][C@H](c1nc(C2CCCC2)nn1C1CC[NH+](C)CC1)c1ccccc1 ZINC000096130362 209115536 /nfs/dbraw/zinc/11/55/36/209115536.db2.gz OAAPIVSNTWUHNG-IBGZPJMESA-N 2 1 353.514 3.511 50 0 FHAAMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CSc1ccc(F)cc1 ZINC000004299428 207011615 /nfs/dbraw/zinc/01/16/15/207011615.db2.gz KAXFVIRAZLZREN-FQEVSTJZSA-N 2 1 374.525 3.533 50 0 FHAAMP Cc1[nH+]cc(CN2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)n1C ZINC000012316065 207359556 /nfs/dbraw/zinc/35/95/56/207359556.db2.gz DZQXFKAHEOTEAO-QHCPKHFHSA-N 2 1 366.553 3.649 50 0 FHAAMP Cc1[nH+]cc(CN2CC[C@@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)n1C ZINC000012316065 207359562 /nfs/dbraw/zinc/35/95/62/207359562.db2.gz DZQXFKAHEOTEAO-QHCPKHFHSA-N 2 1 366.553 3.649 50 0 FHAAMP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000095380763 132209401 /nfs/dbraw/zinc/20/94/01/132209401.db2.gz GESZKUGKYLGXRS-UHFFFAOYSA-N 3 1 363.509 3.767 50 0 FHAAMP CN1Cc2ccccc2C[C@H]1C[N@@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000216050431 568102742 /nfs/dbraw/zinc/10/27/42/568102742.db2.gz XEKWJZOYOXGDBF-FQEVSTJZSA-N 2 1 369.578 3.832 50 0 FHAAMP CN(Cc1ccc(C[NH+]2CCCC2)s1)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000216050431 568102743 /nfs/dbraw/zinc/10/27/43/568102743.db2.gz XEKWJZOYOXGDBF-FQEVSTJZSA-N 2 1 369.578 3.832 50 0 FHAAMP CN(Cc1ccc(C[NH+]2CCCC2)s1)C[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000216050431 568102744 /nfs/dbraw/zinc/10/27/44/568102744.db2.gz XEKWJZOYOXGDBF-FQEVSTJZSA-N 2 1 369.578 3.832 50 0 FHAAMP C[C@H](c1ccc(-c2ccc(CN3CCN(C)CC3)cn2)cc1)[NH+]1CCCC1 ZINC000216215001 568112992 /nfs/dbraw/zinc/11/29/92/568112992.db2.gz YTPGWTJYSWUKLK-LJQANCHMSA-N 2 1 364.537 3.653 50 0 FHAAMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000004989492 570774889 /nfs/dbraw/zinc/77/48/89/570774889.db2.gz JTFOBBVDBIYLDQ-GOSISDBHSA-N 2 1 368.521 3.889 50 0 FHAAMP COCC[NH+]1CCC(C[N@@H+](Cc2sccc2C)Cc2ccncc2)CC1 ZINC000055280958 571119252 /nfs/dbraw/zinc/11/92/52/571119252.db2.gz IRTXBTYSEJVTGO-UHFFFAOYSA-N 2 1 373.566 3.812 50 0 FHAAMP Cc1[nH+]ccn1[C@H](C)c1nc(CCc2ccccc2)nn1-c1cc[nH+]c(C)c1 ZINC000065387025 571142409 /nfs/dbraw/zinc/14/24/09/571142409.db2.gz BPZPILZEKMHQRB-QGZVFWFLSA-N 2 1 372.476 3.870 50 0 FHAAMP CN(CC[NH+]1CCCCCC1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299779745 571197576 /nfs/dbraw/zinc/19/75/76/571197576.db2.gz SRCPCYRUJQIANF-BDTNDASRSA-N 2 1 369.553 3.546 50 0 FHAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000299786717 571199500 /nfs/dbraw/zinc/19/95/00/571199500.db2.gz POXKFQDUXKDFCP-UHFFFAOYSA-N 2 1 367.497 3.663 50 0 FHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccco2)nc1 ZINC000077453038 571212032 /nfs/dbraw/zinc/21/20/32/571212032.db2.gz JNJFBKHRPYZYFK-SFHVURJKSA-N 2 1 351.454 3.686 50 0 FHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccco2)nc1 ZINC000077453038 571212033 /nfs/dbraw/zinc/21/20/33/571212033.db2.gz JNJFBKHRPYZYFK-SFHVURJKSA-N 2 1 351.454 3.686 50 0 FHAAMP C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C[C@H]1CCCO ZINC000091644166 571241609 /nfs/dbraw/zinc/24/16/09/571241609.db2.gz BWARLSTYWHFGDO-GGAORHGYSA-N 2 1 352.522 3.878 50 0 FHAAMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000170614632 571268146 /nfs/dbraw/zinc/26/81/46/571268146.db2.gz PYDJQKFWHSKERD-GHTZIAJQSA-N 2 1 357.542 3.593 50 0 FHAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)CC2)oc1C ZINC000162785496 944876493 /nfs/dbraw/zinc/87/64/93/944876493.db2.gz MTXNYANHADCFNM-HNNXBMFYSA-N 2 1 371.481 3.583 50 0 FHAAMP Cc1ccc(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2ccco2)C[C@H]3CO)s1 ZINC000097076207 209168364 /nfs/dbraw/zinc/16/83/64/209168364.db2.gz FEIQYGINJCLWFY-SFHVURJKSA-N 2 1 374.550 3.746 50 0 FHAAMP C[N@@H+](CCCn1cccn1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011880125 207327604 /nfs/dbraw/zinc/32/76/04/207327604.db2.gz RJUCHCSNQMJAKC-HXUWFJFHSA-N 2 1 374.960 3.813 50 0 FHAAMP C[NH+](CCCn1cccn1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011880125 207327607 /nfs/dbraw/zinc/32/76/07/207327607.db2.gz RJUCHCSNQMJAKC-HXUWFJFHSA-N 2 1 374.960 3.813 50 0 FHAAMP C[NH+](CCCn1cccn1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011880125 207327612 /nfs/dbraw/zinc/32/76/12/207327612.db2.gz RJUCHCSNQMJAKC-HXUWFJFHSA-N 2 1 374.960 3.813 50 0 FHAAMP CCC[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1 ZINC000012385633 207367586 /nfs/dbraw/zinc/36/75/86/207367586.db2.gz GCQKYJWNVKYTQJ-FQEVSTJZSA-N 2 1 374.479 3.992 50 0 FHAAMP c1ccc2c(c1)CC([N@H+]1CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C1)C2 ZINC000012436285 207377084 /nfs/dbraw/zinc/37/70/84/207377084.db2.gz DDVIYEKYJMGRDH-QHCPKHFHSA-N 2 1 361.533 3.783 50 0 FHAAMP COCC[NH+]1CCC(C[N@@H+](C/C=C/c2ccccc2)C[C@H]2CCCO2)CC1 ZINC000012577925 207397148 /nfs/dbraw/zinc/39/71/48/207397148.db2.gz KIHBIWXDXVLCSJ-DXSBJVNVSA-N 2 1 372.553 3.539 50 0 FHAAMP Cc1[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c2ccccn12 ZINC000095384659 209042015 /nfs/dbraw/zinc/04/20/15/209042015.db2.gz FGEFRPYEIRYNAX-LEWJYISDSA-N 2 1 360.505 3.739 50 0 FHAAMP C[NH+](C[C@H](O)COc1cccc(C[N@@H+](C)CC2CC2)c1)C1CCCCC1 ZINC000095504316 209065004 /nfs/dbraw/zinc/06/50/04/209065004.db2.gz CPMVMCCTFDKEQB-NRFANRHFSA-N 2 1 360.542 3.533 50 0 FHAAMP C[NH+](Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1)CC1CC1 ZINC000095504316 209065007 /nfs/dbraw/zinc/06/50/07/209065007.db2.gz CPMVMCCTFDKEQB-NRFANRHFSA-N 2 1 360.542 3.533 50 0 FHAAMP C[NH+](Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1)CC1CC1 ZINC000095504316 209065010 /nfs/dbraw/zinc/06/50/10/209065010.db2.gz CPMVMCCTFDKEQB-NRFANRHFSA-N 2 1 360.542 3.533 50 0 FHAAMP Oc1ccccc1N1CC[NH+](Cc2cc(C[NH+]3CCCCC3)cs2)CC1 ZINC000218922186 132273622 /nfs/dbraw/zinc/27/36/22/132273622.db2.gz KKTGVMQZMLTWMY-UHFFFAOYSA-N 2 1 371.550 3.762 50 0 FHAAMP CCNC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C(C)C)cc1)C2 ZINC000426503258 570613353 /nfs/dbraw/zinc/61/33/53/570613353.db2.gz KCEYOHUGQZEISM-QHCPKHFHSA-N 2 1 371.569 3.624 50 0 FHAAMP CCNC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000426503258 570613355 /nfs/dbraw/zinc/61/33/55/570613355.db2.gz KCEYOHUGQZEISM-QHCPKHFHSA-N 2 1 371.569 3.624 50 0 FHAAMP CCNC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000426503258 570613359 /nfs/dbraw/zinc/61/33/59/570613359.db2.gz KCEYOHUGQZEISM-QHCPKHFHSA-N 2 1 371.569 3.624 50 0 FHAAMP C[N@H+](Cc1ccc(O)cc1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000014962413 570826776 /nfs/dbraw/zinc/82/67/76/570826776.db2.gz SZWPSZNTHGXOQN-UHFFFAOYSA-N 2 1 356.485 3.918 50 0 FHAAMP CCn1ccnc1C[N@H+](C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000015067389 570830859 /nfs/dbraw/zinc/83/08/59/570830859.db2.gz OOPIVOGLDJADSU-UHFFFAOYSA-N 2 1 374.960 3.943 50 0 FHAAMP CCn1ccnc1C[N@@H+](C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000015067389 570830862 /nfs/dbraw/zinc/83/08/62/570830862.db2.gz OOPIVOGLDJADSU-UHFFFAOYSA-N 2 1 374.960 3.943 50 0 FHAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](C3CCCCCCC3)CC2)CC1 ZINC000015077402 570832005 /nfs/dbraw/zinc/83/20/05/570832005.db2.gz VFFFUSUTFLTNIL-UHFFFAOYSA-N 2 1 363.590 3.756 50 0 FHAAMP CCCOc1c(Br)cc(C[NH2+]CCC[NH+](C)C)cc1OCC ZINC000020968184 570927096 /nfs/dbraw/zinc/92/70/96/570927096.db2.gz OLFJVJLDLMDZJZ-UHFFFAOYSA-N 2 1 373.335 3.678 50 0 FHAAMP C[C@@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000038709180 571049324 /nfs/dbraw/zinc/04/93/24/571049324.db2.gz PGJAVWOIMLKVJE-HNNXBMFYSA-N 2 1 351.922 3.911 50 0 FHAAMP Cc1ccc(F)c(NC(=O)CN2CCC(c3[nH+]ccn3C(C)C)CC2)c1 ZINC000240228141 571108905 /nfs/dbraw/zinc/10/89/05/571108905.db2.gz KGQSNOFRDCORFB-UHFFFAOYSA-N 2 1 358.461 3.730 50 0 FHAAMP c1coc([C@H](CNc2nc(C3CCCC3)nc3c2C[NH2+]C3)[NH+]2CCCC2)c1 ZINC000072125353 571170344 /nfs/dbraw/zinc/17/03/44/571170344.db2.gz QYTWJHIVXXNEOZ-SFHVURJKSA-N 2 1 367.497 3.579 50 0 FHAAMP CCCC[N@@H+]1CCn2nc(CNc3cc(C(F)(F)F)cc(C)[nH+]3)cc2C1 ZINC000299756782 571192209 /nfs/dbraw/zinc/19/22/09/571192209.db2.gz GXGYWLAVRQZMMS-UHFFFAOYSA-N 2 1 367.419 3.833 50 0 FHAAMP CCCC[N@H+]1CCn2nc(CNc3cc(C(F)(F)F)cc(C)[nH+]3)cc2C1 ZINC000299756782 571192212 /nfs/dbraw/zinc/19/22/12/571192212.db2.gz GXGYWLAVRQZMMS-UHFFFAOYSA-N 2 1 367.419 3.833 50 0 FHAAMP CCC[N@H+]1CC2(C[C@H]1C(=O)NC(C)(C)c1ccc(C)cc1)CC[NH+](C)CC2 ZINC000072457593 571197715 /nfs/dbraw/zinc/19/77/15/571197715.db2.gz HFWCRSRTWAOMNY-FQEVSTJZSA-N 2 1 371.569 3.543 50 0 FHAAMP C[C@@H](c1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)o1)[NH+]1CCCCC1 ZINC000299782455 571198597 /nfs/dbraw/zinc/19/85/97/571198597.db2.gz NAZXLZPNUZEOBL-SFHVURJKSA-N 2 1 373.541 3.917 50 0 FHAAMP Clc1ccc(Oc2cccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)c2)cc1 ZINC000097675435 209191345 /nfs/dbraw/zinc/19/13/45/209191345.db2.gz JQHSMEOBALXNGV-LJQANCHMSA-N 2 1 371.912 3.612 50 0 FHAAMP Cc1ccc(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2ccco2)C[C@@H]3CO)s1 ZINC000097076205 209168603 /nfs/dbraw/zinc/16/86/03/209168603.db2.gz FEIQYGINJCLWFY-GOSISDBHSA-N 2 1 374.550 3.746 50 0 FHAAMP COCC[NH+]1CCC(C[N@@H+](C/C=C/c2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000012577919 207395190 /nfs/dbraw/zinc/39/51/90/207395190.db2.gz KIHBIWXDXVLCSJ-LKYAVPRHSA-N 2 1 372.553 3.539 50 0 FHAAMP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@]4(CO)C3)cc2)c1 ZINC000072149232 208810292 /nfs/dbraw/zinc/81/02/92/208810292.db2.gz JGLAJLYTPCOTQP-DHIUTWEWSA-N 2 1 350.506 3.598 50 0 FHAAMP Cc1cccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@]4(CO)C3)cc2)c1 ZINC000072149232 208810297 /nfs/dbraw/zinc/81/02/97/208810297.db2.gz JGLAJLYTPCOTQP-DHIUTWEWSA-N 2 1 350.506 3.598 50 0 FHAAMP OC[C@H]1C[N@@H+](Cc2ccccc2-c2ccco2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091931157 209006393 /nfs/dbraw/zinc/00/63/93/209006393.db2.gz WOXZOWQHWMIWEG-NHCUHLMSSA-N 2 1 368.521 3.863 50 0 FHAAMP Cn1ccnc1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095390198 209045363 /nfs/dbraw/zinc/04/53/63/209045363.db2.gz MUSBPSIKIOSSES-FQEVSTJZSA-N 2 1 364.537 3.654 50 0 FHAAMP Cn1ccnc1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095390198 209045366 /nfs/dbraw/zinc/04/53/66/209045366.db2.gz MUSBPSIKIOSSES-FQEVSTJZSA-N 2 1 364.537 3.654 50 0 FHAAMP Cc1nc[nH]c1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095389127 209045695 /nfs/dbraw/zinc/04/56/95/209045695.db2.gz SUMWUYJVFDSNJH-FQEVSTJZSA-N 2 1 364.537 3.952 50 0 FHAAMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000106922515 570894237 /nfs/dbraw/zinc/89/42/37/570894237.db2.gz ZTWSFFSBFYQQQV-CABCVRRESA-N 2 1 371.447 3.696 50 0 FHAAMP CCC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(c3cc(C)cc[nH+]3)CC2)[C@H]1O ZINC000019794386 570903342 /nfs/dbraw/zinc/90/33/42/570903342.db2.gz VSLAVQJOPBVEPK-YADHBBJMSA-N 2 1 365.521 3.686 50 0 FHAAMP CCC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(c3cc(C)cc[nH+]3)CC2)[C@H]1O ZINC000019794386 570903346 /nfs/dbraw/zinc/90/33/46/570903346.db2.gz VSLAVQJOPBVEPK-YADHBBJMSA-N 2 1 365.521 3.686 50 0 FHAAMP COC(=O)C1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000225514953 571042067 /nfs/dbraw/zinc/04/20/67/571042067.db2.gz FUZIRSBRHSAHJH-UYAOXDASSA-N 2 1 358.526 3.610 50 0 FHAAMP CC(=O)Nc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000058168829 571127109 /nfs/dbraw/zinc/12/71/09/571127109.db2.gz NZOMONHXPWCRJB-UHFFFAOYSA-N 2 1 352.413 3.568 50 0 FHAAMP Cc1ccc(C[N@@H+]2CCCN(C)C3(CC[NH+](C)CC3)C2)c(Cl)c1Cl ZINC000067934636 571152135 /nfs/dbraw/zinc/15/21/35/571152135.db2.gz HYAZWWVEGDGODM-UHFFFAOYSA-N 2 1 370.368 3.904 50 0 FHAAMP COc1c[nH]c(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cc1=O ZINC000072166644 571176634 /nfs/dbraw/zinc/17/66/34/571176634.db2.gz BJHZUQGFMMPROB-IBGZPJMESA-N 2 1 355.482 3.585 50 0 FHAAMP [NH3+]CCc1ccc(C[N@H+]2CCC[C@@H](C(=O)CCc3ccccc3)C2)cc1 ZINC000072438434 571196846 /nfs/dbraw/zinc/19/68/46/571196846.db2.gz BXNOHIFDAVBEPK-JOCHJYFZSA-N 2 1 350.506 3.602 50 0 FHAAMP c1cnn(CCC2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000299799297 571203050 /nfs/dbraw/zinc/20/30/50/571203050.db2.gz RAWYIEJWBMZPSM-QHCPKHFHSA-N 2 1 366.553 3.897 50 0 FHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccn2)no1 ZINC000077489127 571213769 /nfs/dbraw/zinc/21/37/69/571213769.db2.gz YQTTVUZSVSIMTJ-QGZVFWFLSA-N 2 1 351.454 3.686 50 0 FHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccn2)no1 ZINC000077489127 571213771 /nfs/dbraw/zinc/21/37/71/571213771.db2.gz YQTTVUZSVSIMTJ-QGZVFWFLSA-N 2 1 351.454 3.686 50 0 FHAAMP CNc1nc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)cs1 ZINC000091643670 571241497 /nfs/dbraw/zinc/24/14/97/571241497.db2.gz IPKHVDZTOSRSHL-SFHVURJKSA-N 2 1 370.566 3.886 50 0 FHAAMP CNc1nc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)cs1 ZINC000091643670 571241498 /nfs/dbraw/zinc/24/14/98/571241498.db2.gz IPKHVDZTOSRSHL-SFHVURJKSA-N 2 1 370.566 3.886 50 0 FHAAMP CCC[NH+]1CCC([N@H+]2C[C@H](COc3ccccc3)C3(C2)CCOCC3)CC1 ZINC000257174177 942458176 /nfs/dbraw/zinc/45/81/76/942458176.db2.gz CYQHMUQDWWSIBG-HXUWFJFHSA-N 2 1 372.553 3.668 50 0 FHAAMP [NH3+]Cc1ccc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)cc1 ZINC000299789614 210031770 /nfs/dbraw/zinc/03/17/70/210031770.db2.gz YRPYMJQBIWRENN-ZCNNSNEGSA-N 2 1 360.461 3.888 50 0 FHAAMP Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@H+](C)C4)c2)OCC[NH2+]C3)s1 ZINC000299790685 210030174 /nfs/dbraw/zinc/03/01/74/210030174.db2.gz BFIVJJNKEKHPKU-INIZCTEOSA-N 2 1 372.534 3.926 50 0 FHAAMP CCCCc1ncc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)[nH]1 ZINC000015078292 211121529 /nfs/dbraw/zinc/12/15/29/211121529.db2.gz MCJMJEXXBKJKQU-UHFFFAOYSA-N 2 1 358.530 3.998 50 0 FHAAMP CCCCc1nc(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)c[nH]1 ZINC000015078292 211121534 /nfs/dbraw/zinc/12/15/34/211121534.db2.gz MCJMJEXXBKJKQU-UHFFFAOYSA-N 2 1 358.530 3.998 50 0 FHAAMP CCCCc1nc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)c[nH]1 ZINC000015078292 211121538 /nfs/dbraw/zinc/12/15/38/211121538.db2.gz MCJMJEXXBKJKQU-UHFFFAOYSA-N 2 1 358.530 3.998 50 0 FHAAMP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(C)o3)C2)cc1 ZINC000015070632 211118419 /nfs/dbraw/zinc/11/84/19/211118419.db2.gz LSXVVCCMILNBQX-FQEVSTJZSA-N 2 1 356.510 3.983 50 0 FHAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(C)o3)C2)cc1 ZINC000015070632 211118423 /nfs/dbraw/zinc/11/84/23/211118423.db2.gz LSXVVCCMILNBQX-FQEVSTJZSA-N 2 1 356.510 3.983 50 0 FHAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(C)o3)C2)cc1 ZINC000015070632 211118429 /nfs/dbraw/zinc/11/84/29/211118429.db2.gz LSXVVCCMILNBQX-FQEVSTJZSA-N 2 1 356.510 3.983 50 0 FHAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(C)o3)C2)cc1 ZINC000015070632 211118434 /nfs/dbraw/zinc/11/84/34/211118434.db2.gz LSXVVCCMILNBQX-FQEVSTJZSA-N 2 1 356.510 3.983 50 0 FHAAMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2cnn(Cc3ccccc3)c2)CC1 ZINC000065408551 221215149 /nfs/dbraw/zinc/21/51/49/221215149.db2.gz DNYATKYHTMRHPU-JOCHJYFZSA-N 2 1 350.510 3.505 50 0 FHAAMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2cnn(Cc3ccccc3)c2)CC1 ZINC000065408551 221215150 /nfs/dbraw/zinc/21/51/50/221215150.db2.gz DNYATKYHTMRHPU-JOCHJYFZSA-N 2 1 350.510 3.505 50 0 FHAAMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC=C(c2cnn(Cc3ccccc3)c2)CC1 ZINC000065408551 221215153 /nfs/dbraw/zinc/21/51/53/221215153.db2.gz DNYATKYHTMRHPU-JOCHJYFZSA-N 2 1 350.510 3.505 50 0 FHAAMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC=C(c2cnn(Cc3ccccc3)c2)CC1 ZINC000065408551 221215154 /nfs/dbraw/zinc/21/51/54/221215154.db2.gz DNYATKYHTMRHPU-JOCHJYFZSA-N 2 1 350.510 3.505 50 0 FHAAMP Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CC1CC[NH+](C)CC1)CCO2 ZINC000067804713 221289160 /nfs/dbraw/zinc/28/91/60/221289160.db2.gz CTJYFHDOFSYCKY-UHFFFAOYSA-N 2 1 366.505 3.904 50 0 FHAAMP C[C@@H]1C[N@@H+](C)CCCN1Cc1cccc(OCCCC[NH+]2CCCCC2)c1 ZINC000216464673 524891070 /nfs/dbraw/zinc/89/10/70/524891070.db2.gz DSHXZLSUASVRQU-OAQYLSRUSA-N 2 1 373.585 3.858 50 0 FHAAMP C[C@@H]1CN(C)CCC[N@@H+]1Cc1cccc(OCCCC[NH+]2CCCCC2)c1 ZINC000216464673 524891083 /nfs/dbraw/zinc/89/10/83/524891083.db2.gz DSHXZLSUASVRQU-OAQYLSRUSA-N 2 1 373.585 3.858 50 0 FHAAMP C[C@@H]1CN(C)CCC[N@H+]1Cc1cccc(OCCCC[NH+]2CCCCC2)c1 ZINC000216464673 524891092 /nfs/dbraw/zinc/89/10/92/524891092.db2.gz DSHXZLSUASVRQU-OAQYLSRUSA-N 2 1 373.585 3.858 50 0 FHAAMP OCc1ccc(C[C@@H]2CC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)cc1 ZINC000091595640 527632781 /nfs/dbraw/zinc/63/27/81/527632781.db2.gz NCNYTOZTDKLSNW-FQEVSTJZSA-N 2 1 370.562 3.901 50 0 FHAAMP c1ccc(C[NH+]2CCC(NCc3ccnc(N4CCCCC4)c3)CC2)cc1 ZINC000075809294 570633214 /nfs/dbraw/zinc/63/32/14/570633214.db2.gz ZUNUHJVMUKPUJB-UHFFFAOYSA-N 2 1 364.537 3.826 50 0 FHAAMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccnc(N4CCCCC4)c3)CC2)cc1 ZINC000075809294 570633217 /nfs/dbraw/zinc/63/32/17/570633217.db2.gz ZUNUHJVMUKPUJB-UHFFFAOYSA-N 2 1 364.537 3.826 50 0 FHAAMP COc1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc1O ZINC000012385606 570741416 /nfs/dbraw/zinc/74/14/16/570741416.db2.gz AVRCYNQGASPHCC-UHFFFAOYSA-N 2 1 358.482 3.646 50 0 FHAAMP CCCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012464160 570748022 /nfs/dbraw/zinc/74/80/22/570748022.db2.gz LSLGLUIUJYFKEY-OAQYLSRUSA-N 2 1 371.569 3.622 50 0 FHAAMP CCCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012464160 570748027 /nfs/dbraw/zinc/74/80/27/570748027.db2.gz LSLGLUIUJYFKEY-OAQYLSRUSA-N 2 1 371.569 3.622 50 0 FHAAMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000032927276 570867862 /nfs/dbraw/zinc/86/78/62/570867862.db2.gz DGTATBUMLIIHQL-IBGZPJMESA-N 2 1 357.542 3.910 50 0 FHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CCCC2)s1 ZINC000077408130 571210737 /nfs/dbraw/zinc/21/07/37/571210737.db2.gz UUFRBPTYABMHGI-KRWDZBQOSA-N 2 1 359.543 3.693 50 0 FHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cnc(N2CCCC2)s1 ZINC000077408130 571210738 /nfs/dbraw/zinc/21/07/38/571210738.db2.gz UUFRBPTYABMHGI-KRWDZBQOSA-N 2 1 359.543 3.693 50 0 FHAAMP C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000426513502 571229417 /nfs/dbraw/zinc/22/94/17/571229417.db2.gz BTUZXVMTDDREDZ-IBGZPJMESA-N 2 1 369.553 3.761 50 0 FHAAMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc2c(c1)CCO2 ZINC000162252300 940124680 /nfs/dbraw/zinc/12/46/80/940124680.db2.gz GLNZEPKBOHRPKF-FQEVSTJZSA-N 2 1 366.509 3.738 50 0 FHAAMP Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@H+](C)C4)c2)OCC[NH2+]C3)s1 ZINC000299790708 210030759 /nfs/dbraw/zinc/03/07/59/210030759.db2.gz BFIVJJNKEKHPKU-MRXNPFEDSA-N 2 1 372.534 3.926 50 0 FHAAMP C[C@@H](CC1(C)CC1)[NH+]1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000063883512 212035658 /nfs/dbraw/zinc/03/56/58/212035658.db2.gz LXALMUNPVKTYML-SFHVURJKSA-N 2 1 359.562 3.870 50 0 FHAAMP C[N@@H+](C[C@H](O)COc1ccccc1C[NH2+]C1CCCC1)C1CCCCC1 ZINC000012713061 220021613 /nfs/dbraw/zinc/02/16/13/220021613.db2.gz QHUMRKMKUMXTTN-NRFANRHFSA-N 2 1 360.542 3.723 50 0 FHAAMP Cc1[nH+]ccn1CCC1CCN(C(=O)c2ccc([C@H]3CCC[NH2+]3)s2)CC1 ZINC000023430468 211389994 /nfs/dbraw/zinc/38/99/94/211389994.db2.gz BODACRVRLCXCPF-QGZVFWFLSA-N 2 1 372.538 3.620 50 0 FHAAMP COc1ccccc1-c1ncc(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)cn1 ZINC000067841567 221292908 /nfs/dbraw/zinc/29/29/08/221292908.db2.gz RYBOEFOZRQUSSJ-UHFFFAOYSA-N 2 1 366.509 3.508 50 0 FHAAMP CN1CC[N@@H+](C)CC12CC[NH+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000067847129 221293352 /nfs/dbraw/zinc/29/33/52/221293352.db2.gz DZJVWZQAWMUXID-UHFFFAOYSA-N 2 1 373.928 3.812 50 0 FHAAMP CCCc1nc(N2CCC([NH2+]CCc3nc(CC)cs3)CC2)cc(C)[nH+]1 ZINC000095512441 132213304 /nfs/dbraw/zinc/21/33/04/132213304.db2.gz CSMZOTUUKDFDGV-UHFFFAOYSA-N 2 1 373.570 3.558 50 0 FHAAMP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1OCc1ccccc1F ZINC000097546476 222189476 /nfs/dbraw/zinc/18/94/76/222189476.db2.gz HGMSNAFXRCTNGS-SFHVURJKSA-N 2 1 358.457 3.727 50 0 FHAAMP O=C(c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000215248820 568059986 /nfs/dbraw/zinc/05/99/86/568059986.db2.gz SNUSSVZURNTBCJ-KRWDZBQOSA-N 2 1 369.534 3.834 50 0 FHAAMP O=C(c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000215248820 568059987 /nfs/dbraw/zinc/05/99/87/568059987.db2.gz SNUSSVZURNTBCJ-KRWDZBQOSA-N 2 1 369.534 3.834 50 0 FHAAMP Cc1cc([C@H]2CCCN2Cc2cccc(OCCCn3ccnc3)c2)on1 ZINC000215625583 568080559 /nfs/dbraw/zinc/08/05/59/568080559.db2.gz WLYIAJXZFQLMAM-HXUWFJFHSA-N 2 1 366.465 3.986 50 0 FHAAMP c1c[nH]c(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)n1 ZINC000095358409 570453212 /nfs/dbraw/zinc/45/32/12/570453212.db2.gz RPLLSCMWSKQAHV-IBGZPJMESA-N 2 1 350.510 3.644 50 0 FHAAMP c1c[nH]c(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C2CC2)C3)n1 ZINC000095358409 570453214 /nfs/dbraw/zinc/45/32/14/570453214.db2.gz RPLLSCMWSKQAHV-IBGZPJMESA-N 2 1 350.510 3.644 50 0 FHAAMP c1cnn(CCC2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000244873453 571118153 /nfs/dbraw/zinc/11/81/53/571118153.db2.gz WQQNYQYOOHVACC-QFIPXVFZSA-N 2 1 352.526 3.507 50 0 FHAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000055308145 571119126 /nfs/dbraw/zinc/11/91/26/571119126.db2.gz CFEKYFIFEOPWCJ-UHFFFAOYSA-N 2 1 365.456 3.632 50 0 FHAAMP C[NH+](Cc1ccccc1)C[C@H]1OC(C)(C)O[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000252500451 571133264 /nfs/dbraw/zinc/13/32/64/571133264.db2.gz SVXWEYMZCNCRQT-FGZHOGPDSA-N 2 1 368.521 3.771 50 0 FHAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2cnc(-c3cccs3)nc2)CC1 ZINC000077299458 571206804 /nfs/dbraw/zinc/20/68/04/571206804.db2.gz IXUIHJYQLMUMKS-UHFFFAOYSA-N 2 1 365.506 3.621 50 0 FHAAMP Cc1c2ccccc2oc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091587394 571240938 /nfs/dbraw/zinc/24/09/38/571240938.db2.gz APJAFXXCMWKTLQ-RTBURBONSA-N 2 1 356.510 3.658 50 0 FHAAMP Cc1c2ccccc2oc1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091587394 571240940 /nfs/dbraw/zinc/24/09/40/571240940.db2.gz APJAFXXCMWKTLQ-RTBURBONSA-N 2 1 356.510 3.658 50 0 FHAAMP Cc1[nH+]ccn1-c1ccc(N2CCC([N@H+](C)Cc3ccco3)CC2)cc1 ZINC000023310832 940158149 /nfs/dbraw/zinc/15/81/49/940158149.db2.gz RQCPWZIHQLREMZ-UHFFFAOYSA-N 2 1 350.466 3.875 50 0 FHAAMP Cc1[nH+]ccn1-c1ccc(N2CCC([N@@H+](C)Cc3ccco3)CC2)cc1 ZINC000023310832 940158151 /nfs/dbraw/zinc/15/81/51/940158151.db2.gz RQCPWZIHQLREMZ-UHFFFAOYSA-N 2 1 350.466 3.875 50 0 FHAAMP C[N@H+]1CC2(C[C@H]1C(=O)Nc1ccccc1)CC[NH+](Cc1ccsc1)CC2 ZINC000675010577 943606081 /nfs/dbraw/zinc/60/60/81/943606081.db2.gz KKEZEUPXYDHDTK-IBGZPJMESA-N 2 1 369.534 3.673 50 0 FHAAMP COc1cc(C[N@@H+](C)C2CCN(C)CC2)ccc1OCc1ccccc1 ZINC000004987777 947796486 /nfs/dbraw/zinc/79/64/86/947796486.db2.gz AIFVSAUCNVSQOG-UHFFFAOYSA-N 2 1 354.494 3.800 50 0 FHAAMP CC(C)(C)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000014981095 211110272 /nfs/dbraw/zinc/11/02/72/211110272.db2.gz BITQBFXCVZOKGJ-FQEVSTJZSA-N 2 1 371.569 3.525 50 0 FHAAMP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1OC ZINC000058168764 221101724 /nfs/dbraw/zinc/10/17/24/221101724.db2.gz SPSRGMYKQNKBJR-UHFFFAOYSA-N 2 1 355.413 3.627 50 0 FHAAMP Cc1ccc2[nH]c(CCCNc3nc(CC[NH3+])nc4ccccc43)[nH+]c2c1C ZINC000067725939 221278219 /nfs/dbraw/zinc/27/82/19/221278219.db2.gz SDWYUPVMGDGNKT-UHFFFAOYSA-N 2 1 374.492 3.669 50 0 FHAAMP CCOc1cc(C)c(C[N@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)cc1C(C)C ZINC000067955208 221309690 /nfs/dbraw/zinc/30/96/90/221309690.db2.gz DGAYYXGUNHONFU-UHFFFAOYSA-N 2 1 373.585 3.729 50 0 FHAAMP CC(C)[NH+]1CCC([C@H]2c3[nH]cnc3CC[N@H+]2CCc2ccccc2)CC1 ZINC000071775927 221375334 /nfs/dbraw/zinc/37/53/34/221375334.db2.gz MVDDRJNHILYVQQ-QFIPXVFZSA-N 2 1 352.526 3.672 50 0 FHAAMP CC(C)[NH+]1CCC([C@H]2c3[nH]cnc3CC[N@@H+]2CCc2ccccc2)CC1 ZINC000071775927 221375337 /nfs/dbraw/zinc/37/53/37/221375337.db2.gz MVDDRJNHILYVQQ-QFIPXVFZSA-N 2 1 352.526 3.672 50 0 FHAAMP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000095354233 132207256 /nfs/dbraw/zinc/20/72/56/132207256.db2.gz SVWHILPIIJXKDC-LJQANCHMSA-N 2 1 363.509 3.767 50 0 FHAAMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000082127071 527391895 /nfs/dbraw/zinc/39/18/95/527391895.db2.gz KYXKZPNGZUEAAP-OAQYLSRUSA-N 2 1 368.525 3.787 50 0 FHAAMP Cc1cc(CN2CCc3n[nH]cc3C2)c(C)c(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000215197877 568057287 /nfs/dbraw/zinc/05/72/87/568057287.db2.gz JLKRIQWODBNSBY-QGZVFWFLSA-N 2 1 352.526 3.959 50 0 FHAAMP Cc1cc(C[NH+]2CCc3n[nH]cc3C2)c(C)c(C[N@H+]2CCCC[C@H]2C)c1 ZINC000215197877 568057288 /nfs/dbraw/zinc/05/72/88/568057288.db2.gz JLKRIQWODBNSBY-QGZVFWFLSA-N 2 1 352.526 3.959 50 0 FHAAMP Cc1cc(C[NH+]2CCc3n[nH]cc3C2)c(C)c(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000215197877 568057289 /nfs/dbraw/zinc/05/72/89/568057289.db2.gz JLKRIQWODBNSBY-QGZVFWFLSA-N 2 1 352.526 3.959 50 0 FHAAMP Cc1cc(C[NH+]2CCCC[C@H]2C)c(C)c(C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000215197877 568057290 /nfs/dbraw/zinc/05/72/90/568057290.db2.gz JLKRIQWODBNSBY-QGZVFWFLSA-N 2 1 352.526 3.959 50 0 FHAAMP Cc1cc(C[NH+]2CCCC[C@H]2C)c(C)c(C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000215197877 568057291 /nfs/dbraw/zinc/05/72/91/568057291.db2.gz JLKRIQWODBNSBY-QGZVFWFLSA-N 2 1 352.526 3.959 50 0 FHAAMP CCCSc1ncc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2C)cn1 ZINC000055099081 571116045 /nfs/dbraw/zinc/11/60/45/571116045.db2.gz PMQDVVUDOKPQCE-UHFFFAOYSA-N 2 1 353.495 3.763 50 0 FHAAMP CC[N@@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055100489 571116651 /nfs/dbraw/zinc/11/66/51/571116651.db2.gz ZBPWXTYNSHDKAJ-QFIPXVFZSA-N 2 1 367.537 3.867 50 0 FHAAMP CC[N@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055100489 571116653 /nfs/dbraw/zinc/11/66/53/571116653.db2.gz ZBPWXTYNSHDKAJ-QFIPXVFZSA-N 2 1 367.537 3.867 50 0 FHAAMP CC[NH+](Cc1cccnc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055100489 571116657 /nfs/dbraw/zinc/11/66/57/571116657.db2.gz ZBPWXTYNSHDKAJ-QFIPXVFZSA-N 2 1 367.537 3.867 50 0 FHAAMP CC[NH+](Cc1cccnc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055100489 571116659 /nfs/dbraw/zinc/11/66/59/571116659.db2.gz ZBPWXTYNSHDKAJ-QFIPXVFZSA-N 2 1 367.537 3.867 50 0 FHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(C)c(C)c3)c2)C1 ZINC000072144054 571172263 /nfs/dbraw/zinc/17/22/63/571172263.db2.gz BLHFOOVZJBKCGX-FQEVSTJZSA-N 2 1 363.509 3.906 50 0 FHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(C)c(C)c3)c2)C1 ZINC000072144054 571172266 /nfs/dbraw/zinc/17/22/66/571172266.db2.gz BLHFOOVZJBKCGX-FQEVSTJZSA-N 2 1 363.509 3.906 50 0 FHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000072165571 571176753 /nfs/dbraw/zinc/17/67/53/571176753.db2.gz DZICXMBPGRYONK-IBGZPJMESA-N 2 1 361.493 3.869 50 0 FHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000072165571 571176754 /nfs/dbraw/zinc/17/67/54/571176754.db2.gz DZICXMBPGRYONK-IBGZPJMESA-N 2 1 361.493 3.869 50 0 FHAAMP Cc1ccc(F)c(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)c1Cl ZINC000077520352 571214518 /nfs/dbraw/zinc/21/45/18/571214518.db2.gz JAOHYMAKHBFVEQ-MRXNPFEDSA-N 2 1 367.940 3.635 50 0 FHAAMP Cc1c(C)n(CCc2ccccc2)c2nc[nH+]c(NCCC[NH+](C)C)c12 ZINC000006760404 571245427 /nfs/dbraw/zinc/24/54/27/571245427.db2.gz RHMNEXKZSZPUMG-UHFFFAOYSA-N 2 1 351.498 3.654 50 0 FHAAMP C[NH+](Cc1ccccc1)C[C@@H]1OC(C)(C)O[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000252500452 571281271 /nfs/dbraw/zinc/28/12/71/571281271.db2.gz SVXWEYMZCNCRQT-SZPZYZBQSA-N 2 1 368.521 3.771 50 0 FHAAMP C[NH+](Cc1ccccc1)C[C@H]1OC(C)(C)O[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000252500452 571281272 /nfs/dbraw/zinc/28/12/72/571281272.db2.gz SVXWEYMZCNCRQT-SZPZYZBQSA-N 2 1 368.521 3.771 50 0 FHAAMP C[NH+](Cc1ccccc1)C[C@H]1OC(C)(C)O[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000252500452 571281274 /nfs/dbraw/zinc/28/12/74/571281274.db2.gz SVXWEYMZCNCRQT-SZPZYZBQSA-N 2 1 368.521 3.771 50 0 FHAAMP C[N@@H+](Cc1ccccc1Cl)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023145147 936385192 /nfs/dbraw/zinc/38/51/92/936385192.db2.gz LCRLLILASJGZCN-UXHICEINSA-N 2 1 356.897 3.509 50 0 FHAAMP Cc1[nH+]ccn1-c1ccc(N2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000023505456 940489524 /nfs/dbraw/zinc/48/95/24/940489524.db2.gz QBMLWWDOTNSWRV-UHFFFAOYSA-N 2 1 372.516 3.907 50 0 FHAAMP CC(C)n1cc(C[N@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000014951773 211106087 /nfs/dbraw/zinc/10/60/87/211106087.db2.gz NOUOVKRNMOJDBR-NRFANRHFSA-N 2 1 354.542 3.851 50 0 FHAAMP CC(C)n1cc(C[N@@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000014951773 211106093 /nfs/dbraw/zinc/10/60/93/211106093.db2.gz NOUOVKRNMOJDBR-NRFANRHFSA-N 2 1 354.542 3.851 50 0 FHAAMP CC(C)n1cc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000014951773 211106097 /nfs/dbraw/zinc/10/60/97/211106097.db2.gz NOUOVKRNMOJDBR-NRFANRHFSA-N 2 1 354.542 3.851 50 0 FHAAMP CC(C)n1cc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000014951773 211106099 /nfs/dbraw/zinc/10/60/99/211106099.db2.gz NOUOVKRNMOJDBR-NRFANRHFSA-N 2 1 354.542 3.851 50 0 FHAAMP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2nccc3ccccc32)C1 ZINC000095521165 132213876 /nfs/dbraw/zinc/21/38/76/132213876.db2.gz BLOMYRPYDFMMKH-LJQANCHMSA-N 2 1 363.509 3.767 50 0 FHAAMP Oc1ccc(N2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)s3)CC2)cc1 ZINC000222260376 132276706 /nfs/dbraw/zinc/27/67/06/132276706.db2.gz JQPIQZJLKPAOGI-UHFFFAOYSA-N 2 1 371.550 3.762 50 0 FHAAMP Cc1cc(C)n([C@H]2CC[N@@H+](Cc3cc(C[NH+]4CCCCC4)cs3)C2)n1 ZINC000097413190 222178693 /nfs/dbraw/zinc/17/86/93/222178693.db2.gz DARWHFAKCHSWJB-IBGZPJMESA-N 2 1 358.555 3.994 50 0 FHAAMP COc1ccc(C[N@H+](C)Cc2cnc3ccccn23)cc1C[NH+]1CCCC1 ZINC000097514389 222186964 /nfs/dbraw/zinc/18/69/64/222186964.db2.gz MEHGXCZQYMMSPX-UHFFFAOYSA-N 2 1 364.493 3.571 50 0 FHAAMP COc1ccc(C[N@@H+](C)Cc2cnc3ccccn23)cc1C[NH+]1CCCC1 ZINC000097514389 222186966 /nfs/dbraw/zinc/18/69/66/222186966.db2.gz MEHGXCZQYMMSPX-UHFFFAOYSA-N 2 1 364.493 3.571 50 0 FHAAMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000089969000 520749688 /nfs/dbraw/zinc/74/96/88/520749688.db2.gz WBXGORCVEWFAKV-NRFANRHFSA-N 2 1 357.542 3.552 50 0 FHAAMP Cc1cc([C@@H]2CCCN2Cc2cccc(OCCCn3ccnc3)c2)on1 ZINC000215625536 568080605 /nfs/dbraw/zinc/08/06/05/568080605.db2.gz WLYIAJXZFQLMAM-FQEVSTJZSA-N 2 1 366.465 3.986 50 0 FHAAMP CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000091809015 570439401 /nfs/dbraw/zinc/43/94/01/570439401.db2.gz HYYASPNRTBPEKJ-IFMALSPDSA-N 2 1 369.553 3.619 50 0 FHAAMP COC(=O)C1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000225514987 571041809 /nfs/dbraw/zinc/04/18/09/571041809.db2.gz FUZIRSBRHSAHJH-AZUAARDMSA-N 2 1 358.526 3.610 50 0 FHAAMP Cc1cc(N2CCC[N@@H+](CCC(=O)Nc3ccccc3Cl)CC2)cc[nH+]1 ZINC000252489303 571132597 /nfs/dbraw/zinc/13/25/97/571132597.db2.gz JNXOKDFHXWGBHV-UHFFFAOYSA-N 2 1 372.900 3.584 50 0 FHAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(C[NH+]3CCCC3)s2)CC1 ZINC000077319456 571207254 /nfs/dbraw/zinc/20/72/54/571207254.db2.gz UWYQFXXRIJEWAY-UHFFFAOYSA-N 3 1 370.566 3.760 50 0 FHAAMP Cc1c[nH+]ccc1N1CCCN(Cc2ccc(C[NH+]3CCCC3)s2)CC1 ZINC000077319456 571207256 /nfs/dbraw/zinc/20/72/56/571207256.db2.gz UWYQFXXRIJEWAY-UHFFFAOYSA-N 2 1 370.566 3.760 50 0 FHAAMP COc1ccnc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)c1 ZINC000091677567 571242345 /nfs/dbraw/zinc/24/23/45/571242345.db2.gz JGDPAFNQKAOJQH-FQEVSTJZSA-N 2 1 365.521 3.792 50 0 FHAAMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000089644265 571272261 /nfs/dbraw/zinc/27/22/61/571272261.db2.gz RFASCRIVTJIPDV-WBVHZDCISA-N 2 1 363.933 3.639 50 0 FHAAMP C[N@H+]1CC2(C[C@@H]1C(=O)Nc1ccccc1)CC[NH+](Cc1ccsc1)CC2 ZINC000675010578 943606271 /nfs/dbraw/zinc/60/62/71/943606271.db2.gz KKEZEUPXYDHDTK-LJQANCHMSA-N 2 1 369.534 3.673 50 0 FHAAMP CCc1[nH+]ccn1Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299796015 210035466 /nfs/dbraw/zinc/03/54/66/210035466.db2.gz LNZRHWNRAWSBNN-KSZLIROESA-N 2 1 363.465 3.570 50 0 FHAAMP CCc1[nH+]ccn1Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299796015 210035472 /nfs/dbraw/zinc/03/54/72/210035472.db2.gz LNZRHWNRAWSBNN-KSZLIROESA-N 2 1 363.465 3.570 50 0 FHAAMP C[N@@H+](CCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[NH+]2CCC[C@H]12)C1CCCC1 ZINC000299775354 210021388 /nfs/dbraw/zinc/02/13/88/210021388.db2.gz ITAFIYRPNKUJJZ-BDTNDASRSA-N 2 1 369.553 3.593 50 0 FHAAMP C[NH+](CCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)C1CCCC1 ZINC000299775354 210021392 /nfs/dbraw/zinc/02/13/92/210021392.db2.gz ITAFIYRPNKUJJZ-BDTNDASRSA-N 2 1 369.553 3.593 50 0 FHAAMP C[NH+](CCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12)C1CCCC1 ZINC000299775354 210021399 /nfs/dbraw/zinc/02/13/99/210021399.db2.gz ITAFIYRPNKUJJZ-BDTNDASRSA-N 2 1 369.553 3.593 50 0 FHAAMP COc1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc1OC ZINC000015074692 211119384 /nfs/dbraw/zinc/11/93/84/211119384.db2.gz PEOJKMMRXDZRLR-UHFFFAOYSA-N 2 1 372.509 3.949 50 0 FHAAMP Cc1[nH+]ccn1[C@@H](C)c1nc(CCc2ccccc2)nn1-c1cc[nH+]c(C)c1 ZINC000065387027 221208760 /nfs/dbraw/zinc/20/87/60/221208760.db2.gz BPZPILZEKMHQRB-KRWDZBQOSA-N 2 1 372.476 3.870 50 0 FHAAMP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])C3)c(C)o2)c2ccccc12 ZINC000067727334 221278006 /nfs/dbraw/zinc/27/80/06/221278006.db2.gz YEARWIUHNOJCKN-OAHLLOKOSA-N 2 1 351.450 3.592 50 0 FHAAMP COc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])C3)c(C)o2)c2ccccc12 ZINC000067727334 221278007 /nfs/dbraw/zinc/27/80/07/221278007.db2.gz YEARWIUHNOJCKN-OAHLLOKOSA-N 2 1 351.450 3.592 50 0 FHAAMP CCn1nc(C)c(C[N@@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)c1C ZINC000072463273 136148834 /nfs/dbraw/zinc/14/88/34/136148834.db2.gz MMNGEZVAHGCTBP-UHFFFAOYSA-N 2 1 367.541 3.858 50 0 FHAAMP CCn1nc(C)c(C[N@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)c1C ZINC000072463273 136148835 /nfs/dbraw/zinc/14/88/35/136148835.db2.gz MMNGEZVAHGCTBP-UHFFFAOYSA-N 2 1 367.541 3.858 50 0 FHAAMP Cn1ccnc1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095390199 570460892 /nfs/dbraw/zinc/46/08/92/570460892.db2.gz MUSBPSIKIOSSES-HXUWFJFHSA-N 2 1 364.537 3.654 50 0 FHAAMP Cn1ccnc1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095390199 570460893 /nfs/dbraw/zinc/46/08/93/570460893.db2.gz MUSBPSIKIOSSES-HXUWFJFHSA-N 2 1 364.537 3.654 50 0 FHAAMP C[NH+](C[C@@H](O)COc1cccc(C[N@@H+](C)CC2CC2)c1)C1CCCCC1 ZINC000095504315 570463739 /nfs/dbraw/zinc/46/37/39/570463739.db2.gz CPMVMCCTFDKEQB-OAQYLSRUSA-N 2 1 360.542 3.533 50 0 FHAAMP C[NH+](Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1)CC1CC1 ZINC000095504315 570463743 /nfs/dbraw/zinc/46/37/43/570463743.db2.gz CPMVMCCTFDKEQB-OAQYLSRUSA-N 2 1 360.542 3.533 50 0 FHAAMP C[NH+](Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1)CC1CC1 ZINC000095504315 570463746 /nfs/dbraw/zinc/46/37/46/570463746.db2.gz CPMVMCCTFDKEQB-OAQYLSRUSA-N 2 1 360.542 3.533 50 0 FHAAMP CC[NH+](CC)CCCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000005348359 570649600 /nfs/dbraw/zinc/64/96/00/570649600.db2.gz FYIWFHZKFLEGGB-UHFFFAOYSA-N 2 1 355.486 3.833 50 0 FHAAMP CC[N@H+](Cc1nc(C)c[nH]1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012317758 570736356 /nfs/dbraw/zinc/73/63/56/570736356.db2.gz ALXTWGWXPAXCDM-UHFFFAOYSA-N 2 1 354.542 3.803 50 0 FHAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000244795670 571117484 /nfs/dbraw/zinc/11/74/84/571117484.db2.gz RLMUSEAHJVBCMO-GOSISDBHSA-N 2 1 351.454 3.511 50 0 FHAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000244795670 571117487 /nfs/dbraw/zinc/11/74/87/571117487.db2.gz RLMUSEAHJVBCMO-GOSISDBHSA-N 2 1 351.454 3.511 50 0 FHAAMP Cc1cc(C)n(-c2ccccc2C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)n1 ZINC000252510251 571133704 /nfs/dbraw/zinc/13/37/04/571133704.db2.gz ZFKUQCLECXJUFC-UHFFFAOYSA-N 2 1 363.509 3.906 50 0 FHAAMP C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000426513506 571229403 /nfs/dbraw/zinc/22/94/03/571229403.db2.gz BTUZXVMTDDREDZ-LJQANCHMSA-N 2 1 369.553 3.761 50 0 FHAAMP COc1ccc(Br)c(C[N@@H+](C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000170595399 571266449 /nfs/dbraw/zinc/26/64/49/571266449.db2.gz AEUSPSHMKCCUJW-CYBMUJFWSA-N 2 1 355.320 3.620 50 0 FHAAMP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+](C)C1CCCCC1 ZINC000299792481 210033830 /nfs/dbraw/zinc/03/38/30/210033830.db2.gz FCGKGMOHVTVCSU-GOSISDBHSA-N 2 1 357.542 3.552 50 0 FHAAMP CCC[NH+]1CCC([N@H+]2CCC[C@](Cc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000020204015 211269647 /nfs/dbraw/zinc/26/96/47/211269647.db2.gz BMDGAEKUZCTZEV-HSZRJFAPSA-N 2 1 372.553 3.749 50 0 FHAAMP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000095354234 132207263 /nfs/dbraw/zinc/20/72/63/132207263.db2.gz SVWHILPIIJXKDC-IBGZPJMESA-N 2 1 363.509 3.767 50 0 FHAAMP CCc1cc(N2CCC([NH2+]CCc3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000095509750 132213254 /nfs/dbraw/zinc/21/32/54/132213254.db2.gz VZEKMGYDXMXJPT-UHFFFAOYSA-N 2 1 358.917 3.802 50 0 FHAAMP C[NH+](C)Cc1csc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC000091625411 521937440 /nfs/dbraw/zinc/93/74/40/521937440.db2.gz NPHVVKBNCXHOCM-PZJWPPBQSA-N 2 1 369.578 3.906 50 0 FHAAMP C[NH+](C)Cc1csc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)c1 ZINC000091625411 521937453 /nfs/dbraw/zinc/93/74/53/521937453.db2.gz NPHVVKBNCXHOCM-PZJWPPBQSA-N 2 1 369.578 3.906 50 0 FHAAMP C[NH+](C)Cc1csc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)c1 ZINC000091625411 521937468 /nfs/dbraw/zinc/93/74/68/521937468.db2.gz NPHVVKBNCXHOCM-PZJWPPBQSA-N 2 1 369.578 3.906 50 0 FHAAMP C[C@H]1C[N@@H+](C)CCCN1Cc1cccc(OCCCC[NH+]2CCCCC2)c1 ZINC000216464719 524553911 /nfs/dbraw/zinc/55/39/11/524553911.db2.gz DSHXZLSUASVRQU-NRFANRHFSA-N 2 1 373.585 3.858 50 0 FHAAMP C[C@H]1CN(C)CCC[N@@H+]1Cc1cccc(OCCCC[NH+]2CCCCC2)c1 ZINC000216464719 524553921 /nfs/dbraw/zinc/55/39/21/524553921.db2.gz DSHXZLSUASVRQU-NRFANRHFSA-N 2 1 373.585 3.858 50 0 FHAAMP C[C@H]1CN(C)CCC[N@H+]1Cc1cccc(OCCCC[NH+]2CCCCC2)c1 ZINC000216464719 524553931 /nfs/dbraw/zinc/55/39/31/524553931.db2.gz DSHXZLSUASVRQU-NRFANRHFSA-N 2 1 373.585 3.858 50 0 FHAAMP CCn1cc(C[N@@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)c(C)n1 ZINC000072422071 536052984 /nfs/dbraw/zinc/05/29/84/536052984.db2.gz FFQJDEVWOVGFJT-UHFFFAOYSA-N 2 1 353.514 3.550 50 0 FHAAMP CCn1cc(C[N@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)c(C)n1 ZINC000072422071 536052991 /nfs/dbraw/zinc/05/29/91/536052991.db2.gz FFQJDEVWOVGFJT-UHFFFAOYSA-N 2 1 353.514 3.550 50 0 FHAAMP C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000011839452 570708730 /nfs/dbraw/zinc/70/87/30/570708730.db2.gz WNXMXVRRZGNQOW-LJQANCHMSA-N 2 1 356.489 3.709 50 0 FHAAMP CN1CCC([N@@H+](C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)CC1 ZINC000012836580 570765123 /nfs/dbraw/zinc/76/51/23/570765123.db2.gz FSGAMLYAINRQRU-UHFFFAOYSA-N 2 1 363.977 3.621 50 0 FHAAMP C[N@H+](CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC000012836580 570765128 /nfs/dbraw/zinc/76/51/28/570765128.db2.gz FSGAMLYAINRQRU-UHFFFAOYSA-N 3 1 363.977 3.621 50 0 FHAAMP C[N@@H+](CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC000012836580 570765131 /nfs/dbraw/zinc/76/51/31/570765131.db2.gz FSGAMLYAINRQRU-UHFFFAOYSA-N 3 1 363.977 3.621 50 0 FHAAMP C[NH+](C)C1(CNC(=O)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCCC1 ZINC000072307008 571064082 /nfs/dbraw/zinc/06/40/82/571064082.db2.gz BNWBEIGFBXUYLC-NRFANRHFSA-N 2 1 371.569 3.669 50 0 FHAAMP c1coc([C@@H](CNc2nc(C3CCCC3)nc3c2C[NH2+]C3)[NH+]2CCCC2)c1 ZINC000072125352 571170341 /nfs/dbraw/zinc/17/03/41/571170341.db2.gz QYTWJHIVXXNEOZ-GOSISDBHSA-N 2 1 367.497 3.579 50 0 FHAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)C2CCSCC2)CC1 ZINC000012206145 945282604 /nfs/dbraw/zinc/28/26/04/945282604.db2.gz SOIRMIFUIZLSIT-UHFFFAOYSA-N 2 1 362.583 3.777 50 0 FHAAMP Clc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](Cc4c[nH]cn4)CC3)C2)cc1 ZINC000019739585 211251444 /nfs/dbraw/zinc/25/14/44/211251444.db2.gz LHEKNONCEQMITH-GOSISDBHSA-N 2 1 358.917 3.797 50 0 FHAAMP Clc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](Cc4c[nH]cn4)CC3)C2)cc1 ZINC000019739585 211251448 /nfs/dbraw/zinc/25/14/48/211251448.db2.gz LHEKNONCEQMITH-GOSISDBHSA-N 2 1 358.917 3.797 50 0 FHAAMP Clc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](Cc4cnc[nH]4)CC3)C2)cc1 ZINC000019739585 211251453 /nfs/dbraw/zinc/25/14/53/211251453.db2.gz LHEKNONCEQMITH-GOSISDBHSA-N 2 1 358.917 3.797 50 0 FHAAMP Clc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](Cc4cnc[nH]4)CC3)C2)cc1 ZINC000019739585 211251457 /nfs/dbraw/zinc/25/14/57/211251457.db2.gz LHEKNONCEQMITH-GOSISDBHSA-N 2 1 358.917 3.797 50 0 FHAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)CC1 ZINC000019225004 211207265 /nfs/dbraw/zinc/20/72/65/211207265.db2.gz UTXZZQCMHMJXBK-FQEVSTJZSA-N 2 1 361.574 3.578 50 0 FHAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000015074953 211119016 /nfs/dbraw/zinc/11/90/16/211119016.db2.gz BGWBDYZIXORBGK-FQEVSTJZSA-N 2 1 363.590 3.612 50 0 FHAAMP C[N@@H+](Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1)C[C@H]1CCC[NH2+]C1 ZINC000065502040 221226632 /nfs/dbraw/zinc/22/66/32/221226632.db2.gz SOWWTBYRCOVKGH-INIZCTEOSA-N 2 1 373.447 3.649 50 0 FHAAMP C[N@H+](Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1)C[C@H]1CCC[NH2+]C1 ZINC000065502040 221226634 /nfs/dbraw/zinc/22/66/34/221226634.db2.gz SOWWTBYRCOVKGH-INIZCTEOSA-N 2 1 373.447 3.649 50 0 FHAAMP C[N@@H+](Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000065502034 221227286 /nfs/dbraw/zinc/22/72/86/221227286.db2.gz SOWWTBYRCOVKGH-MRXNPFEDSA-N 2 1 373.447 3.649 50 0 FHAAMP C[N@H+](Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000065502034 221227290 /nfs/dbraw/zinc/22/72/90/221227290.db2.gz SOWWTBYRCOVKGH-MRXNPFEDSA-N 2 1 373.447 3.649 50 0 FHAAMP Fc1ccc(N2CC[NH+](Cc3cc(C[NH+]4CCCC4)cs3)CC2)cc1 ZINC000215801814 132270844 /nfs/dbraw/zinc/27/08/44/132270844.db2.gz RHFSYXAPMFUBHV-UHFFFAOYSA-N 2 1 359.514 3.805 50 0 FHAAMP C[NH+](C)CCCOc1ccccc1CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000215305330 568062870 /nfs/dbraw/zinc/06/28/70/568062870.db2.gz UJINXVNJZHIJNF-JOCHJYFZSA-N 2 1 367.537 3.506 50 0 FHAAMP Cc1[nH+]ccn1CC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000095364697 570455123 /nfs/dbraw/zinc/45/51/23/570455123.db2.gz LIXSTSINUWVCQI-NRFANRHFSA-N 2 1 368.525 3.560 50 0 FHAAMP COc1ccc2c(c1)CCc1c-2[nH+]c2ccccc2c1N1CC[NH+](C)CC1 ZINC000005510144 570629058 /nfs/dbraw/zinc/62/90/58/570629058.db2.gz JPFQXPGSXGYEHW-UHFFFAOYSA-N 2 1 359.473 3.761 50 0 FHAAMP CC(C)CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011842677 570709283 /nfs/dbraw/zinc/70/92/83/570709283.db2.gz FLSDWZBEKRDBHP-OAQYLSRUSA-N 2 1 371.569 3.525 50 0 FHAAMP CC(C)CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011842677 570709284 /nfs/dbraw/zinc/70/92/84/570709284.db2.gz FLSDWZBEKRDBHP-OAQYLSRUSA-N 2 1 371.569 3.525 50 0 FHAAMP CCC[NH+]1CCC([N@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)CC1 ZINC000012054284 570715694 /nfs/dbraw/zinc/71/56/94/570715694.db2.gz QIYLQDKJKDVJGI-NRFANRHFSA-N 2 1 364.961 3.831 50 0 FHAAMP CCCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012464164 570748075 /nfs/dbraw/zinc/74/80/75/570748075.db2.gz LSLGLUIUJYFKEY-NRFANRHFSA-N 2 1 371.569 3.622 50 0 FHAAMP CCCCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012464164 570748080 /nfs/dbraw/zinc/74/80/80/570748080.db2.gz LSLGLUIUJYFKEY-NRFANRHFSA-N 2 1 371.569 3.622 50 0 FHAAMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072308820 571066548 /nfs/dbraw/zinc/06/65/48/571066548.db2.gz DXSSDAKQZKAAGY-SFHVURJKSA-N 2 1 353.510 3.832 50 0 FHAAMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072308820 571066553 /nfs/dbraw/zinc/06/65/53/571066553.db2.gz DXSSDAKQZKAAGY-SFHVURJKSA-N 2 1 353.510 3.832 50 0 FHAAMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000072308820 571066558 /nfs/dbraw/zinc/06/65/58/571066558.db2.gz DXSSDAKQZKAAGY-SFHVURJKSA-N 2 1 353.510 3.832 50 0 FHAAMP Cc1[nH+]ccn1CC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000244646859 571113697 /nfs/dbraw/zinc/11/36/97/571113697.db2.gz GQIQMMSSWLJCGE-UHFFFAOYSA-N 2 1 360.889 3.586 50 0 FHAAMP C[NH+]1CCC(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)CC1 ZINC000299768422 210017900 /nfs/dbraw/zinc/01/79/00/210017900.db2.gz KQTDUKCBUJUOGA-ZCNNSNEGSA-N 2 1 366.509 3.647 50 0 FHAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](CC2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000015074954 211119689 /nfs/dbraw/zinc/11/96/89/211119689.db2.gz BGWBDYZIXORBGK-HXUWFJFHSA-N 2 1 363.590 3.612 50 0 FHAAMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cnn1-c1ccc(F)cc1F ZINC000015073554 211119169 /nfs/dbraw/zinc/11/91/69/211119169.db2.gz SSEZWWQLAFCTRG-AWEZNQCLSA-N 2 1 362.468 3.982 50 0 FHAAMP [NH3+]C[C@H]1Cc2cc(Oc3cc(F)c(C[NH+]4CCCC4)c(F)c3)ccc2O1 ZINC000067867614 221297033 /nfs/dbraw/zinc/29/70/33/221297033.db2.gz PYIRBEGRMIDDCH-MRXNPFEDSA-N 2 1 360.404 3.615 50 0 FHAAMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000089969001 520749593 /nfs/dbraw/zinc/74/95/93/520749593.db2.gz WBXGORCVEWFAKV-OAQYLSRUSA-N 2 1 357.542 3.552 50 0 FHAAMP Cc1cccc2cc(C[NH2+]C3CCCC3)c(N3CC[N@H+]4CCC[C@H]4C3)nc12 ZINC000244718719 524974339 /nfs/dbraw/zinc/97/43/39/524974339.db2.gz LPUHKMJWIJSDDN-NRFANRHFSA-N 2 1 364.537 3.860 50 0 FHAAMP CC[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)C[C@H](O)c1cccc(O)c1 ZINC000215735595 568086337 /nfs/dbraw/zinc/08/63/37/568086337.db2.gz VALIZYYIDUNRQB-FQEVSTJZSA-N 2 1 360.523 3.605 50 0 FHAAMP CCC[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000012314702 570735957 /nfs/dbraw/zinc/73/59/57/570735957.db2.gz CGRYHZRAMJJNDP-HXUWFJFHSA-N 2 1 363.590 3.802 50 0 FHAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040720566 571092059 /nfs/dbraw/zinc/09/20/59/571092059.db2.gz SBYMCEZOGWJFAU-UHFFFAOYSA-N 2 1 362.901 3.935 50 0 FHAAMP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OCc1c(F)cccc1Cl ZINC000040719473 571092131 /nfs/dbraw/zinc/09/21/31/571092131.db2.gz UPXLHYOQXZHFQZ-UHFFFAOYSA-N 2 1 366.864 3.766 50 0 FHAAMP CC[N@@H+](Cc1cccnc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055100491 571116621 /nfs/dbraw/zinc/11/66/21/571116621.db2.gz ZBPWXTYNSHDKAJ-JOCHJYFZSA-N 2 1 367.537 3.867 50 0 FHAAMP CC[N@H+](Cc1cccnc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055100491 571116623 /nfs/dbraw/zinc/11/66/23/571116623.db2.gz ZBPWXTYNSHDKAJ-JOCHJYFZSA-N 2 1 367.537 3.867 50 0 FHAAMP CC[NH+](Cc1cccnc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055100491 571116626 /nfs/dbraw/zinc/11/66/26/571116626.db2.gz ZBPWXTYNSHDKAJ-JOCHJYFZSA-N 2 1 367.537 3.867 50 0 FHAAMP CC[NH+](Cc1cccnc1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055100491 571116629 /nfs/dbraw/zinc/11/66/29/571116629.db2.gz ZBPWXTYNSHDKAJ-JOCHJYFZSA-N 2 1 367.537 3.867 50 0 FHAAMP Cc1cc(N2CCC[N@@H+](Cc3cnc(C4CCCCC4)nc3)CC2)cc[nH+]1 ZINC000072167799 571177006 /nfs/dbraw/zinc/17/70/06/571177006.db2.gz QGIJXZCEGMKSDA-UHFFFAOYSA-N 2 1 365.525 3.940 50 0 FHAAMP C[NH+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccco1 ZINC000426662391 571234573 /nfs/dbraw/zinc/23/45/73/571234573.db2.gz WHNPDIAMWZHGRK-FQEVSTJZSA-N 2 1 369.509 3.688 50 0 FHAAMP CN(CC[N@@H+](C)C1CCCC1)C(=O)[C@H]1C[C@@H](c2ccccc2)[NH+]2CCC[C@H]12 ZINC000299797524 529903088 /nfs/dbraw/zinc/90/30/88/529903088.db2.gz OEMSVTCAIZCBJA-BDTNDASRSA-N 2 1 369.553 3.545 50 0 FHAAMP CN(CC[NH+](C)C1CCCC1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299797524 529903089 /nfs/dbraw/zinc/90/30/89/529903089.db2.gz OEMSVTCAIZCBJA-BDTNDASRSA-N 2 1 369.553 3.545 50 0 FHAAMP CN(CC[NH+](C)C1CCCC1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299797524 529903090 /nfs/dbraw/zinc/90/30/90/529903090.db2.gz OEMSVTCAIZCBJA-BDTNDASRSA-N 2 1 369.553 3.545 50 0 FHAAMP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc(C)o3)C2)cc1 ZINC000015070634 220145459 /nfs/dbraw/zinc/14/54/59/220145459.db2.gz LSXVVCCMILNBQX-HXUWFJFHSA-N 2 1 356.510 3.983 50 0 FHAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(C)o3)C2)cc1 ZINC000015070634 220145461 /nfs/dbraw/zinc/14/54/61/220145461.db2.gz LSXVVCCMILNBQX-HXUWFJFHSA-N 2 1 356.510 3.983 50 0 FHAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(C)o3)C2)cc1 ZINC000015070634 220145462 /nfs/dbraw/zinc/14/54/62/220145462.db2.gz LSXVVCCMILNBQX-HXUWFJFHSA-N 2 1 356.510 3.983 50 0 FHAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(C)o3)C2)cc1 ZINC000015070634 220145464 /nfs/dbraw/zinc/14/54/64/220145464.db2.gz LSXVVCCMILNBQX-HXUWFJFHSA-N 2 1 356.510 3.983 50 0 FHAAMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](c2ccnc(-c3cccc(O)c3)c2)C1 ZINC000065464046 221223029 /nfs/dbraw/zinc/22/30/29/221223029.db2.gz ANGDNBFSOMQAEQ-IBGZPJMESA-N 2 1 353.510 3.831 50 0 FHAAMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)c(C)o2)c(OC)c1C ZINC000067854714 221294950 /nfs/dbraw/zinc/29/49/50/221294950.db2.gz QBCLELSYMAUVBZ-INIZCTEOSA-N 2 1 373.497 3.536 50 0 FHAAMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)c(C)o2)c(OC)c1C ZINC000067854713 221295718 /nfs/dbraw/zinc/29/57/18/221295718.db2.gz QBCLELSYMAUVBZ-MRXNPFEDSA-N 2 1 373.497 3.536 50 0 FHAAMP CC(C)[NH+]1CCC([C@@H]2c3[nH]cnc3CC[N@H+]2CCc2ccccc2)CC1 ZINC000071775926 221375352 /nfs/dbraw/zinc/37/53/52/221375352.db2.gz MVDDRJNHILYVQQ-JOCHJYFZSA-N 2 1 352.526 3.672 50 0 FHAAMP CC(C)[NH+]1CCC([C@@H]2c3[nH]cnc3CC[N@@H+]2CCc2ccccc2)CC1 ZINC000071775926 221375355 /nfs/dbraw/zinc/37/53/55/221375355.db2.gz MVDDRJNHILYVQQ-JOCHJYFZSA-N 2 1 352.526 3.672 50 0 FHAAMP CCc1cc(N2CCC([NH2+]Cc3ccc(Cl)s3)CC2)nc(C)[nH+]1 ZINC000095509625 132212823 /nfs/dbraw/zinc/21/28/23/132212823.db2.gz CWLUTVZLCQLENZ-UHFFFAOYSA-N 2 1 350.919 3.821 50 0 FHAAMP COc1cccc(COc2ccccc2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000097522482 222188658 /nfs/dbraw/zinc/18/86/58/222188658.db2.gz NSLXUTCHBRGYSC-QHCPKHFHSA-N 2 1 366.505 3.850 50 0 FHAAMP COc1cccc(COc2ccccc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000097522482 222188662 /nfs/dbraw/zinc/18/86/62/222188662.db2.gz NSLXUTCHBRGYSC-QHCPKHFHSA-N 2 1 366.505 3.850 50 0 FHAAMP Cc1cc(CN2CCc3n[nH]cc3C2)c(C)c(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000215197827 568057273 /nfs/dbraw/zinc/05/72/73/568057273.db2.gz JLKRIQWODBNSBY-KRWDZBQOSA-N 2 1 352.526 3.959 50 0 FHAAMP Cc1cc(C[NH+]2CCc3n[nH]cc3C2)c(C)c(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000215197827 568057274 /nfs/dbraw/zinc/05/72/74/568057274.db2.gz JLKRIQWODBNSBY-KRWDZBQOSA-N 2 1 352.526 3.959 50 0 FHAAMP Cc1cc(C[NH+]2CCc3n[nH]cc3C2)c(C)c(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000215197827 568057275 /nfs/dbraw/zinc/05/72/75/568057275.db2.gz JLKRIQWODBNSBY-KRWDZBQOSA-N 2 1 352.526 3.959 50 0 FHAAMP Cc1cc(C[NH+]2CCCC[C@@H]2C)c(C)c(C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000215197827 568057276 /nfs/dbraw/zinc/05/72/76/568057276.db2.gz JLKRIQWODBNSBY-KRWDZBQOSA-N 2 1 352.526 3.959 50 0 FHAAMP Cc1cc(C[NH+]2CCCC[C@@H]2C)c(C)c(C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000215197827 568057277 /nfs/dbraw/zinc/05/72/77/568057277.db2.gz JLKRIQWODBNSBY-KRWDZBQOSA-N 2 1 352.526 3.959 50 0 FHAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](CC2CCCCC2)CC1 ZINC000091847212 570440577 /nfs/dbraw/zinc/44/05/77/570440577.db2.gz IQEHHAWUBOEQHQ-UHFFFAOYSA-N 2 1 370.545 3.611 50 0 FHAAMP Cn1c(C[NH+]2CCCCCC2)nnc1C1CC[NH+](Cc2cccs2)CC1 ZINC000091907047 570442093 /nfs/dbraw/zinc/44/20/93/570442093.db2.gz ITROREDQIGGDIM-UHFFFAOYSA-N 2 1 373.570 3.632 50 0 FHAAMP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000095370828 570456335 /nfs/dbraw/zinc/45/63/35/570456335.db2.gz SPIBABIHCCHXAD-NRFANRHFSA-N 2 1 357.542 3.505 50 0 FHAAMP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237585438 570566780 /nfs/dbraw/zinc/56/67/80/570566780.db2.gz SIFJTXFRBYLKEX-STZQEDGTSA-N 2 1 365.521 3.588 50 0 FHAAMP COc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000005484900 570663007 /nfs/dbraw/zinc/66/30/07/570663007.db2.gz IAPZOQVPRJPFDJ-UHFFFAOYSA-N 2 1 354.494 3.501 50 0 FHAAMP CCCn1cc(C[N@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)c(C)n1 ZINC000012301913 570733861 /nfs/dbraw/zinc/73/38/61/570733861.db2.gz WJAHRVFVZGMPNY-QFIPXVFZSA-N 2 1 368.569 3.988 50 0 FHAAMP CCCn1cc(C[N@@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)c(C)n1 ZINC000012301913 570733862 /nfs/dbraw/zinc/73/38/62/570733862.db2.gz WJAHRVFVZGMPNY-QFIPXVFZSA-N 2 1 368.569 3.988 50 0 FHAAMP CCCn1cc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000012301913 570733864 /nfs/dbraw/zinc/73/38/64/570733864.db2.gz WJAHRVFVZGMPNY-QFIPXVFZSA-N 2 1 368.569 3.988 50 0 FHAAMP CCCn1cc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000012301913 570733865 /nfs/dbraw/zinc/73/38/65/570733865.db2.gz WJAHRVFVZGMPNY-QFIPXVFZSA-N 2 1 368.569 3.988 50 0 FHAAMP Cc1[nH+]ccn1CCC1CCN(C(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)CC1 ZINC000023430464 570963702 /nfs/dbraw/zinc/96/37/02/570963702.db2.gz BODACRVRLCXCPF-KRWDZBQOSA-N 2 1 372.538 3.620 50 0 FHAAMP Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023580857 570965484 /nfs/dbraw/zinc/96/54/84/570965484.db2.gz HCIJHBQPKGEFGJ-KRWDZBQOSA-N 2 1 366.490 3.978 50 0 FHAAMP Clc1ccc(OCc2cccnc2)c(CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000075780461 571138985 /nfs/dbraw/zinc/13/89/85/571138985.db2.gz JWPFFBZVLHYIJG-MRXNPFEDSA-N 2 1 371.912 3.888 50 0 FHAAMP Clc1ccc(OCc2cccnc2)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000075780461 571138987 /nfs/dbraw/zinc/13/89/87/571138987.db2.gz JWPFFBZVLHYIJG-MRXNPFEDSA-N 2 1 371.912 3.888 50 0 FHAAMP Clc1ccc(OCc2cccnc2)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000075780461 571138989 /nfs/dbraw/zinc/13/89/89/571138989.db2.gz JWPFFBZVLHYIJG-MRXNPFEDSA-N 2 1 371.912 3.888 50 0 FHAAMP CN(C)c1ncc(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)s1 ZINC000072469305 571198244 /nfs/dbraw/zinc/19/82/44/571198244.db2.gz MSSAARTUBNNNFO-IBGZPJMESA-N 2 1 358.555 3.998 50 0 FHAAMP C[N@@H+](C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1)C1CCOCC1 ZINC000012703902 220018304 /nfs/dbraw/zinc/01/83/04/220018304.db2.gz LWWDRVDJLKIDRX-SFHVURJKSA-N 2 1 350.934 3.705 50 0 FHAAMP C[NH+](C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C1CCOCC1 ZINC000012703902 220018307 /nfs/dbraw/zinc/01/83/07/220018307.db2.gz LWWDRVDJLKIDRX-SFHVURJKSA-N 2 1 350.934 3.705 50 0 FHAAMP C[NH+](C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C1CCOCC1 ZINC000012703902 220018308 /nfs/dbraw/zinc/01/83/08/220018308.db2.gz LWWDRVDJLKIDRX-SFHVURJKSA-N 2 1 350.934 3.705 50 0 FHAAMP COc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2ccc(C)o2)C1 ZINC000012705241 220018526 /nfs/dbraw/zinc/01/85/26/220018526.db2.gz SYCUHCQTENFQLP-LJQANCHMSA-N 2 1 356.510 3.983 50 0 FHAAMP COc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2ccc(C)o2)C1 ZINC000012705241 220018529 /nfs/dbraw/zinc/01/85/29/220018529.db2.gz SYCUHCQTENFQLP-LJQANCHMSA-N 2 1 356.510 3.983 50 0 FHAAMP COc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2ccc(C)o2)C1 ZINC000012705241 220018532 /nfs/dbraw/zinc/01/85/32/220018532.db2.gz SYCUHCQTENFQLP-LJQANCHMSA-N 2 1 356.510 3.983 50 0 FHAAMP COc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2ccc(C)o2)C1 ZINC000012705241 220018535 /nfs/dbraw/zinc/01/85/35/220018535.db2.gz SYCUHCQTENFQLP-LJQANCHMSA-N 2 1 356.510 3.983 50 0 FHAAMP CSc1ncc(C[N@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000014961480 220137845 /nfs/dbraw/zinc/13/78/45/220137845.db2.gz BBHBBNFXMQSGIW-LJQANCHMSA-N 2 1 370.566 3.585 50 0 FHAAMP CSc1ncc(C[N@@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000014961480 220137848 /nfs/dbraw/zinc/13/78/48/220137848.db2.gz BBHBBNFXMQSGIW-LJQANCHMSA-N 2 1 370.566 3.585 50 0 FHAAMP CSc1ncc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000014961480 220137851 /nfs/dbraw/zinc/13/78/51/220137851.db2.gz BBHBBNFXMQSGIW-LJQANCHMSA-N 2 1 370.566 3.585 50 0 FHAAMP CSc1ncc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000014961480 220137853 /nfs/dbraw/zinc/13/78/53/220137853.db2.gz BBHBBNFXMQSGIW-LJQANCHMSA-N 2 1 370.566 3.585 50 0 FHAAMP CC(C)(C)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000014981093 220139364 /nfs/dbraw/zinc/13/93/64/220139364.db2.gz BITQBFXCVZOKGJ-HXUWFJFHSA-N 2 1 371.569 3.525 50 0 FHAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055200162 221061869 /nfs/dbraw/zinc/06/18/69/221061869.db2.gz CGUKPAXJNAKFNX-UHFFFAOYSA-N 2 1 361.424 4.000 50 0 FHAAMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC=C(c2cnn(Cc3ccccc3)c2)CC1 ZINC000065408552 221214359 /nfs/dbraw/zinc/21/43/59/221214359.db2.gz DNYATKYHTMRHPU-QFIPXVFZSA-N 2 1 350.510 3.505 50 0 FHAAMP C[N@H+]1CCC[C@H]1CC[NH+]1CC=C(c2cnn(Cc3ccccc3)c2)CC1 ZINC000065408552 221214361 /nfs/dbraw/zinc/21/43/61/221214361.db2.gz DNYATKYHTMRHPU-QFIPXVFZSA-N 2 1 350.510 3.505 50 0 FHAAMP C[NH+]1CCC[C@H]1CC[N@H+]1CC=C(c2cnn(Cc3ccccc3)c2)CC1 ZINC000065408552 221214364 /nfs/dbraw/zinc/21/43/64/221214364.db2.gz DNYATKYHTMRHPU-QFIPXVFZSA-N 2 1 350.510 3.505 50 0 FHAAMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC=C(c2cnn(Cc3ccccc3)c2)CC1 ZINC000065408552 221214365 /nfs/dbraw/zinc/21/43/65/221214365.db2.gz DNYATKYHTMRHPU-QFIPXVFZSA-N 2 1 350.510 3.505 50 0 FHAAMP Cc1cccc(N2CCC3(CCC[N@H+]3Cc3cnc(C(C)C)nc3)CC2)[nH+]1 ZINC000072431611 136147036 /nfs/dbraw/zinc/14/70/36/136147036.db2.gz BRSODSCXTVJISP-UHFFFAOYSA-N 2 1 365.525 3.938 50 0 FHAAMP Cc1cccc(N2CCC3(CCC[N@@H+]3Cc3cnc(C(C)C)nc3)CC2)[nH+]1 ZINC000072431611 136147037 /nfs/dbraw/zinc/14/70/37/136147037.db2.gz BRSODSCXTVJISP-UHFFFAOYSA-N 2 1 365.525 3.938 50 0 FHAAMP CC[NH+]1CCC(c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)CC1 ZINC000299773692 528989831 /nfs/dbraw/zinc/98/98/31/528989831.db2.gz GXRAHJCKIUCQNT-ZCNNSNEGSA-N 2 1 366.509 3.962 50 0 FHAAMP C[C@@H](c1ccc(-c2ccc(CN3CCN(C)CC3)cn2)cc1)[NH+]1CCCC1 ZINC000216214953 568112978 /nfs/dbraw/zinc/11/29/78/568112978.db2.gz YTPGWTJYSWUKLK-IBGZPJMESA-N 2 1 364.537 3.653 50 0 FHAAMP COc1c(C)c[nH+]c(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1C ZINC000092061654 570446173 /nfs/dbraw/zinc/44/61/73/570446173.db2.gz KLUOMXXYZJWKCS-LEWJYISDSA-N 2 1 365.521 3.803 50 0 FHAAMP COc1c(C)c[nH+]c(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)c1C ZINC000092061654 570446175 /nfs/dbraw/zinc/44/61/75/570446175.db2.gz KLUOMXXYZJWKCS-LEWJYISDSA-N 2 1 365.521 3.803 50 0 FHAAMP Cc1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)on1 ZINC000095530538 570470063 /nfs/dbraw/zinc/47/00/63/570470063.db2.gz DMSQQNALGHGYQH-FQEVSTJZSA-N 2 1 361.530 3.619 50 0 FHAAMP CC[N@H+](Cc1cccc(F)c1F)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000011703327 570705668 /nfs/dbraw/zinc/70/56/68/570705668.db2.gz JITXGWIORVXQGL-UHFFFAOYSA-N 2 1 365.512 3.593 50 0 FHAAMP C[N@@H+](CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C1CCOCC1 ZINC000011878614 570710660 /nfs/dbraw/zinc/71/06/60/570710660.db2.gz QVMXRFDMKGXNGL-UHFFFAOYSA-N 2 1 350.934 3.705 50 0 FHAAMP CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)o1 ZINC000072152605 571174806 /nfs/dbraw/zinc/17/48/06/571174806.db2.gz SOGWQIYAGXCNBK-HXUWFJFHSA-N 2 1 369.509 3.770 50 0 FHAAMP CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)o1 ZINC000072152605 571174807 /nfs/dbraw/zinc/17/48/07/571174807.db2.gz SOGWQIYAGXCNBK-HXUWFJFHSA-N 2 1 369.509 3.770 50 0 FHAAMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000229979410 571178356 /nfs/dbraw/zinc/17/83/56/571178356.db2.gz RFASCRIVTJIPDV-DOTOQJQBSA-N 2 1 363.933 3.639 50 0 FHAAMP Cc1ccc(F)c(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)c1Cl ZINC000077520356 571214663 /nfs/dbraw/zinc/21/46/63/571214663.db2.gz JAOHYMAKHBFVEQ-INIZCTEOSA-N 2 1 367.940 3.635 50 0 FHAAMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000170614633 571268098 /nfs/dbraw/zinc/26/80/98/571268098.db2.gz PYDJQKFWHSKERD-WIYYLYMNSA-N 2 1 357.542 3.593 50 0 FHAAMP C[N@@H+](Cc1cccc(OC2CC[NH2+]CC2)c1)Cc1cccc2ncccc12 ZINC000299757124 529995694 /nfs/dbraw/zinc/99/56/94/529995694.db2.gz HZGHPLNNYMIOOJ-UHFFFAOYSA-N 2 1 361.489 3.998 50 0 FHAAMP C[N@@H+](Cc1ccccc1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012587594 220010460 /nfs/dbraw/zinc/01/04/60/220010460.db2.gz ZHCMYNCSDBLXNO-QFIPXVFZSA-N 2 1 368.521 3.544 50 0 FHAAMP C[N@@H+](C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1)CC(C)(C)CO ZINC000012709912 220018977 /nfs/dbraw/zinc/01/89/77/220018977.db2.gz GFJCCUGTGPMEFU-SFHVURJKSA-N 2 1 352.950 3.545 50 0 FHAAMP C[NH+](C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)CC(C)(C)CO ZINC000012709912 220018980 /nfs/dbraw/zinc/01/89/80/220018980.db2.gz GFJCCUGTGPMEFU-SFHVURJKSA-N 2 1 352.950 3.545 50 0 FHAAMP C[NH+](C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)CC(C)(C)CO ZINC000012709912 220018983 /nfs/dbraw/zinc/01/89/83/220018983.db2.gz GFJCCUGTGPMEFU-SFHVURJKSA-N 2 1 352.950 3.545 50 0 FHAAMP Fc1ccccc1C[NH+]1CCC(C[N@@H+](CC2CC2)C[C@@H]2CCCO2)CC1 ZINC000012707372 220019301 /nfs/dbraw/zinc/01/93/01/220019301.db2.gz UFPHXPLBZUJCDA-NRFANRHFSA-N 2 1 360.517 3.929 50 0 FHAAMP C[N@@H+](CC1CC[NH+](CCc2cccc(F)c2)CC1)C1CCSCC1 ZINC000015077867 220147175 /nfs/dbraw/zinc/14/71/75/220147175.db2.gz HRBBHSWYXBZNBL-UHFFFAOYSA-N 2 1 350.547 3.908 50 0 FHAAMP CCC[NH+]1CCC([NH2+][C@H]2CCCc3nc(-c4ccccc4)ncc32)CC1 ZINC000015066473 220144561 /nfs/dbraw/zinc/14/45/61/220144561.db2.gz ZUCNBGXXGJSMES-FQEVSTJZSA-N 2 1 350.510 3.985 50 0 FHAAMP COc1ccc([C@@H](CNC(=[NH2+])Nc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000057752114 221092641 /nfs/dbraw/zinc/09/26/41/221092641.db2.gz FAFFUVADPHRESY-HXUWFJFHSA-N 2 1 352.482 3.859 50 0 FHAAMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000006788179 263347008 /nfs/dbraw/zinc/34/70/08/263347008.db2.gz XLWINFFXDVVNRG-GOSISDBHSA-N 2 1 351.494 3.658 50 0 FHAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020875047 521997142 /nfs/dbraw/zinc/99/71/42/521997142.db2.gz OJWBYEXKBHQGIL-UHFFFAOYSA-N 2 1 362.901 3.935 50 0 FHAAMP CC[N@@H+](Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1)C1CC1 ZINC000095503385 570463354 /nfs/dbraw/zinc/46/33/54/570463354.db2.gz XEHNMAINWAQVTH-NRFANRHFSA-N 2 1 360.542 3.675 50 0 FHAAMP CC[NH+](Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1)C1CC1 ZINC000095503385 570463357 /nfs/dbraw/zinc/46/33/57/570463357.db2.gz XEHNMAINWAQVTH-NRFANRHFSA-N 2 1 360.542 3.675 50 0 FHAAMP CC[NH+](Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1)C1CC1 ZINC000095503385 570463361 /nfs/dbraw/zinc/46/33/61/570463361.db2.gz XEHNMAINWAQVTH-NRFANRHFSA-N 2 1 360.542 3.675 50 0 FHAAMP Cc1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)on1 ZINC000095530539 570469875 /nfs/dbraw/zinc/46/98/75/570469875.db2.gz DMSQQNALGHGYQH-HXUWFJFHSA-N 2 1 361.530 3.619 50 0 FHAAMP CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000011879393 570597982 /nfs/dbraw/zinc/59/79/82/570597982.db2.gz IHTNOMZOWJWLSN-HSZRJFAPSA-N 2 1 372.553 3.747 50 0 FHAAMP Clc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c2c(c1)COCO2 ZINC000047971121 570932985 /nfs/dbraw/zinc/93/29/85/570932985.db2.gz GUGQALJCSFKAKK-UHFFFAOYSA-N 2 1 350.890 3.514 50 0 FHAAMP C[NH+](C)C1(CNC(=O)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCCC1 ZINC000072307009 571064266 /nfs/dbraw/zinc/06/42/66/571064266.db2.gz BNWBEIGFBXUYLC-OAQYLSRUSA-N 2 1 371.569 3.669 50 0 FHAAMP CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)o1 ZINC000072152604 571174624 /nfs/dbraw/zinc/17/46/24/571174624.db2.gz SOGWQIYAGXCNBK-FQEVSTJZSA-N 2 1 369.509 3.770 50 0 FHAAMP CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)o1 ZINC000072152604 571174626 /nfs/dbraw/zinc/17/46/26/571174626.db2.gz SOGWQIYAGXCNBK-FQEVSTJZSA-N 2 1 369.509 3.770 50 0 FHAAMP CC(C)C[N@@H+]1CCc2nc[nH]c2[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000675012732 943611642 /nfs/dbraw/zinc/61/16/42/943611642.db2.gz QFHTXYVVNUEKFJ-QFIPXVFZSA-N 2 1 352.526 3.877 50 0 FHAAMP CC(C)C[N@H+]1CCc2nc[nH]c2[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000675012732 943611644 /nfs/dbraw/zinc/61/16/44/943611644.db2.gz QFHTXYVVNUEKFJ-QFIPXVFZSA-N 2 1 352.526 3.877 50 0 FHAAMP C[N@@H+](C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1)CC(C)(C)CO ZINC000012709918 220020138 /nfs/dbraw/zinc/02/01/38/220020138.db2.gz GFJCCUGTGPMEFU-GOSISDBHSA-N 2 1 352.950 3.545 50 0 FHAAMP C[NH+](C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)CC(C)(C)CO ZINC000012709918 220020140 /nfs/dbraw/zinc/02/01/40/220020140.db2.gz GFJCCUGTGPMEFU-GOSISDBHSA-N 2 1 352.950 3.545 50 0 FHAAMP C[NH+](C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)CC(C)(C)CO ZINC000012709918 220020141 /nfs/dbraw/zinc/02/01/41/220020141.db2.gz GFJCCUGTGPMEFU-GOSISDBHSA-N 2 1 352.950 3.545 50 0 FHAAMP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876280 220344424 /nfs/dbraw/zinc/34/44/24/220344424.db2.gz XOSDSGPAWJMODT-UHFFFAOYSA-N 2 1 366.864 3.766 50 0 FHAAMP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])C3)c(C)o2)c2ccccc12 ZINC000067727337 221277352 /nfs/dbraw/zinc/27/73/52/221277352.db2.gz YEARWIUHNOJCKN-HNNXBMFYSA-N 2 1 351.450 3.592 50 0 FHAAMP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])C3)c(C)o2)c2ccccc12 ZINC000067727337 221277355 /nfs/dbraw/zinc/27/73/55/221277355.db2.gz YEARWIUHNOJCKN-HNNXBMFYSA-N 2 1 351.450 3.592 50 0 FHAAMP COc1ccc2cc([C@@H]3C[N@@H+](CC4CC[NH+](C)CC4)CCO3)ccc2c1 ZINC000071752643 221364340 /nfs/dbraw/zinc/36/43/40/221364340.db2.gz IPFLQESOGVYKIS-QFIPXVFZSA-N 2 1 354.494 3.564 50 0 FHAAMP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000095385016 132209788 /nfs/dbraw/zinc/20/97/88/132209788.db2.gz ONDKFZCRRXRSDL-SFHVURJKSA-N 3 1 363.509 3.767 50 0 FHAAMP OC[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)C[C@H]1C[NH+]1CCCC1 ZINC000091416997 527621247 /nfs/dbraw/zinc/62/12/47/527621247.db2.gz PPQSUDCQGYDETF-NHCUHLMSSA-N 2 1 366.505 3.615 50 0 FHAAMP OC[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)C[C@H]1C[NH+]1CCCC1 ZINC000091416997 527621253 /nfs/dbraw/zinc/62/12/53/527621253.db2.gz PPQSUDCQGYDETF-NHCUHLMSSA-N 2 1 366.505 3.615 50 0 FHAAMP CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000215290534 568062180 /nfs/dbraw/zinc/06/21/80/568062180.db2.gz YRGMEFUIEOMBND-FQEVSTJZSA-N 2 1 360.542 3.534 50 0 FHAAMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3)cc1C[NH+](C)C ZINC000091951466 570443492 /nfs/dbraw/zinc/44/34/92/570443492.db2.gz GZSJWGJQSMRBOH-RBBKRZOGSA-N 2 1 371.569 3.619 50 0 FHAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cccc(C)n3)CC2)cc1 ZINC000011665497 570704571 /nfs/dbraw/zinc/70/45/71/570704571.db2.gz VHEKOOQCNJWXQK-UHFFFAOYSA-N 2 1 367.537 3.785 50 0 FHAAMP CC(C)CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011842678 570709350 /nfs/dbraw/zinc/70/93/50/570709350.db2.gz FLSDWZBEKRDBHP-NRFANRHFSA-N 2 1 371.569 3.525 50 0 FHAAMP CC(C)CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011842678 570709351 /nfs/dbraw/zinc/70/93/51/570709351.db2.gz FLSDWZBEKRDBHP-NRFANRHFSA-N 2 1 371.569 3.525 50 0 FHAAMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC(=O)NC1CCCCC1 ZINC000072309905 571071156 /nfs/dbraw/zinc/07/11/56/571071156.db2.gz XSXYFNLPONJICJ-UHFFFAOYSA-N 2 1 359.558 3.573 50 0 FHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cc(-c2cccnc2)no1 ZINC000243893572 571112303 /nfs/dbraw/zinc/11/23/03/571112303.db2.gz ASLLSDQEUGSOAO-GOSISDBHSA-N 2 1 351.454 3.686 50 0 FHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cc(-c2cccnc2)no1 ZINC000243893572 571112304 /nfs/dbraw/zinc/11/23/04/571112304.db2.gz ASLLSDQEUGSOAO-GOSISDBHSA-N 2 1 351.454 3.686 50 0 FHAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000244795671 571117387 /nfs/dbraw/zinc/11/73/87/571117387.db2.gz RLMUSEAHJVBCMO-SFHVURJKSA-N 2 1 351.454 3.511 50 0 FHAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000244795671 571117389 /nfs/dbraw/zinc/11/73/89/571117389.db2.gz RLMUSEAHJVBCMO-SFHVURJKSA-N 2 1 351.454 3.511 50 0 FHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2c(C)cc(C)cc2-n2cccn2)C1 ZINC000072138834 571171748 /nfs/dbraw/zinc/17/17/48/571171748.db2.gz QICXVGHMNSPHQG-HXUWFJFHSA-N 2 1 363.509 3.906 50 0 FHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2-n2cccn2)C1 ZINC000072138834 571171749 /nfs/dbraw/zinc/17/17/49/571171749.db2.gz QICXVGHMNSPHQG-HXUWFJFHSA-N 2 1 363.509 3.906 50 0 FHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000072165572 571176770 /nfs/dbraw/zinc/17/67/70/571176770.db2.gz DZICXMBPGRYONK-LJQANCHMSA-N 2 1 361.493 3.869 50 0 FHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000072165572 571176771 /nfs/dbraw/zinc/17/67/71/571176771.db2.gz DZICXMBPGRYONK-LJQANCHMSA-N 2 1 361.493 3.869 50 0 FHAAMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000170614631 571268186 /nfs/dbraw/zinc/26/81/86/571268186.db2.gz PYDJQKFWHSKERD-NQIIRXRSSA-N 2 1 357.542 3.593 50 0 FHAAMP Cc1[nH+]cn(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)c1C ZINC000299802926 223106052 /nfs/dbraw/zinc/10/60/52/223106052.db2.gz YICIUABCJHPSEJ-OTWHNJEPSA-N 2 1 363.465 3.624 50 0 FHAAMP Cc1[nH+]cn(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)c1C ZINC000299802926 223106053 /nfs/dbraw/zinc/10/60/53/223106053.db2.gz YICIUABCJHPSEJ-OTWHNJEPSA-N 2 1 363.465 3.624 50 0 FHAAMP Cc1[nH]c2ccccc2c1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022781205 220398405 /nfs/dbraw/zinc/39/84/05/220398405.db2.gz XLOOVGBTBDSMEJ-FQEVSTJZSA-N 2 1 368.550 3.616 50 0 FHAAMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000048711589 221014114 /nfs/dbraw/zinc/01/41/14/221014114.db2.gz HSBCNOKCIULSPZ-INIZCTEOSA-N 2 1 358.917 3.716 50 0 FHAAMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](c2ccnc(-c3cccc(O)c3)c2)C1 ZINC000065464053 221223017 /nfs/dbraw/zinc/22/30/17/221223017.db2.gz ANGDNBFSOMQAEQ-LJQANCHMSA-N 2 1 353.510 3.831 50 0 FHAAMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000006788178 263347084 /nfs/dbraw/zinc/34/70/84/263347084.db2.gz XLWINFFXDVVNRG-SFHVURJKSA-N 2 1 351.494 3.658 50 0 FHAAMP COC(=O)c1cccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000253369386 522216330 /nfs/dbraw/zinc/21/63/30/522216330.db2.gz BYBXZNBCRKUFQA-OEWRPIJISA-N 2 1 366.505 3.719 50 0 FHAAMP C[C@@H]1C[C@H](N(C)C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000263357949 525414669 /nfs/dbraw/zinc/41/46/69/525414669.db2.gz SIFJTXFRBYLKEX-QIJUGHKUSA-N 2 1 365.521 3.588 50 0 FHAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nccn2Cc2ccccc2)C1 ZINC000082092012 527413412 /nfs/dbraw/zinc/41/34/12/527413412.db2.gz KXBPHCOBOKWOQL-OAQYLSRUSA-N 2 1 363.509 3.706 50 0 FHAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nccn2Cc2ccccc2)C1 ZINC000082092012 527413419 /nfs/dbraw/zinc/41/34/19/527413419.db2.gz KXBPHCOBOKWOQL-OAQYLSRUSA-N 2 1 363.509 3.706 50 0 FHAAMP CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000215290484 568062199 /nfs/dbraw/zinc/06/21/99/568062199.db2.gz YRGMEFUIEOMBND-HXUWFJFHSA-N 2 1 360.542 3.534 50 0 FHAAMP c1c[nH]c(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C2CC2)C3)n1 ZINC000095358408 570453311 /nfs/dbraw/zinc/45/33/11/570453311.db2.gz RPLLSCMWSKQAHV-LJQANCHMSA-N 2 1 350.510 3.644 50 0 FHAAMP c1c[nH]c(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C2CC2)C3)n1 ZINC000095358408 570453314 /nfs/dbraw/zinc/45/33/14/570453314.db2.gz RPLLSCMWSKQAHV-LJQANCHMSA-N 2 1 350.510 3.644 50 0 FHAAMP COc1ccc(CC[N@H+](Cc2ccc(C)o2)CC2CC[NH+](C)CC2)cc1 ZINC000011933122 570711974 /nfs/dbraw/zinc/71/19/74/570711974.db2.gz DMQBWEWPTOOVBM-UHFFFAOYSA-N 2 1 356.510 3.983 50 0 FHAAMP Cc1cccc(NC[C@H]2CC[N@H+](CCCc3nc4ccccc4o3)C2)[nH+]1 ZINC000225542347 571044469 /nfs/dbraw/zinc/04/44/69/571044469.db2.gz VCMRGPARVWQNRV-QGZVFWFLSA-N 2 1 350.466 3.898 50 0 FHAAMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCc3nc4ccccc4o3)C2)[nH+]1 ZINC000225542347 571044471 /nfs/dbraw/zinc/04/44/71/571044471.db2.gz VCMRGPARVWQNRV-QGZVFWFLSA-N 2 1 350.466 3.898 50 0 FHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2cccnc2)no1 ZINC000243893574 571112312 /nfs/dbraw/zinc/11/23/12/571112312.db2.gz ASLLSDQEUGSOAO-SFHVURJKSA-N 2 1 351.454 3.686 50 0 FHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cc(-c2cccnc2)no1 ZINC000243893574 571112313 /nfs/dbraw/zinc/11/23/13/571112313.db2.gz ASLLSDQEUGSOAO-SFHVURJKSA-N 2 1 351.454 3.686 50 0 FHAAMP Clc1ccc(OCc2cccnc2)c(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000075780453 571139120 /nfs/dbraw/zinc/13/91/20/571139120.db2.gz JWPFFBZVLHYIJG-INIZCTEOSA-N 2 1 371.912 3.888 50 0 FHAAMP Clc1ccc(OCc2cccnc2)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000075780453 571139122 /nfs/dbraw/zinc/13/91/22/571139122.db2.gz JWPFFBZVLHYIJG-INIZCTEOSA-N 2 1 371.912 3.888 50 0 FHAAMP Clc1ccc(OCc2cccnc2)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000075780453 571139123 /nfs/dbraw/zinc/13/91/23/571139123.db2.gz JWPFFBZVLHYIJG-INIZCTEOSA-N 2 1 371.912 3.888 50 0 FHAAMP COc1c[nH]c(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cc1=O ZINC000072166645 571176778 /nfs/dbraw/zinc/17/67/78/571176778.db2.gz BJHZUQGFMMPROB-LJQANCHMSA-N 2 1 355.482 3.585 50 0 FHAAMP COCC[N@@H+]1CCC[C@]2(CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)C1 ZINC000426504402 571228979 /nfs/dbraw/zinc/22/89/79/571228979.db2.gz BUOMWCULTTUTCV-FQEVSTJZSA-N 2 1 359.901 3.827 50 0 FHAAMP COCC[N@H+]1CCC[C@]2(CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)C1 ZINC000426504402 571228980 /nfs/dbraw/zinc/22/89/80/571228980.db2.gz BUOMWCULTTUTCV-FQEVSTJZSA-N 2 1 359.901 3.827 50 0 FHAAMP c1ccc(C[NH+]2CCC(N3C[C@H]4CC[C@H](C[N@@H+]4CC4CCC4)C3)CC2)cc1 ZINC000091595471 571241121 /nfs/dbraw/zinc/24/11/21/571241121.db2.gz QMOLEYMEKIBWAE-ISKFKSNPSA-N 2 1 367.581 3.847 50 0 FHAAMP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ncccn3)CC2)C1 ZINC000091643939 571241464 /nfs/dbraw/zinc/24/14/64/571241464.db2.gz MBRXFODSRCSPFA-FQEVSTJZSA-N 2 1 350.510 3.568 50 0 FHAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ncccn3)CC2)C1 ZINC000091643939 571241466 /nfs/dbraw/zinc/24/14/66/571241466.db2.gz MBRXFODSRCSPFA-FQEVSTJZSA-N 2 1 350.510 3.568 50 0 FHAAMP CCOc1cc(C)c(C[N@H+]2C[C@@H](C[NH+](C)C)C[C@H](CO)C2)cc1C(C)C ZINC000091746164 571243309 /nfs/dbraw/zinc/24/33/09/571243309.db2.gz UDOSAGAQTRGLTR-MOPGFXCFSA-N 2 1 362.558 3.509 50 0 FHAAMP CCOc1cc(C)c(C[N@@H+]2C[C@@H](C[NH+](C)C)C[C@H](CO)C2)cc1C(C)C ZINC000091746164 571243311 /nfs/dbraw/zinc/24/33/11/571243311.db2.gz UDOSAGAQTRGLTR-MOPGFXCFSA-N 2 1 362.558 3.509 50 0 FHAAMP CCC[N@@H+](C)CC1(O)CCC2(CC[NH+](Cc3cccs3)CC2)CC1 ZINC000257191452 942658972 /nfs/dbraw/zinc/65/89/72/942658972.db2.gz PSTLYOFNMCROAX-UHFFFAOYSA-N 2 1 350.572 3.977 50 0 FHAAMP Cc1nnc([C@H]2C[N@H+](CC(C)C)CC23CC[NH+](Cc2ccccc2)CC3)o1 ZINC000675013505 943615602 /nfs/dbraw/zinc/61/56/02/943615602.db2.gz GPKUKEAJSPEMFY-HXUWFJFHSA-N 2 1 368.525 3.716 50 0 FHAAMP C[NH+]1CCC([NH+]2CCC(CCc3noc(-c4ccc(F)cc4)n3)CC2)CC1 ZINC000675019919 943630353 /nfs/dbraw/zinc/63/03/53/943630353.db2.gz RICFHXWIVPXMJV-UHFFFAOYSA-N 2 1 372.488 3.615 50 0 FHAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccc4c(c3)OCCO4)CC2)o1 ZINC000014976235 220138754 /nfs/dbraw/zinc/13/87/54/220138754.db2.gz FJSSTKCFTGSUPO-UHFFFAOYSA-N 2 1 370.493 3.703 50 0 FHAAMP Cc1ccccc1NC(=O)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000065432029 221219280 /nfs/dbraw/zinc/21/92/80/221219280.db2.gz NUVZZDSLYBYPEF-UHFFFAOYSA-N 2 1 351.494 3.578 50 0 FHAAMP COCC[NH+]1CCC(C[N@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071416118 221345842 /nfs/dbraw/zinc/34/58/42/221345842.db2.gz QALHWIYUSKRZBJ-HXUWFJFHSA-N 2 1 362.533 3.829 50 0 FHAAMP CCc1cc(N2CCC([NH2+]CCc3c[nH]c4ccccc34)CC2)nc(C)[nH+]1 ZINC000095524144 132214105 /nfs/dbraw/zinc/21/41/05/132214105.db2.gz DKNUEAOJQVPOKF-UHFFFAOYSA-N 2 1 363.509 3.630 50 0 FHAAMP CCCn1ccnc1C[N@@H+]1CCCC12CCN(c1cccc(C)[nH+]1)CC2 ZINC000072428393 136146702 /nfs/dbraw/zinc/14/67/02/136146702.db2.gz XJIHLRYNSGLMJW-UHFFFAOYSA-N 2 1 353.514 3.632 50 0 FHAAMP CCCn1ccnc1C[N@H+]1CCCC12CCN(c1cccc(C)[nH+]1)CC2 ZINC000072428393 136146703 /nfs/dbraw/zinc/14/67/03/136146703.db2.gz XJIHLRYNSGLMJW-UHFFFAOYSA-N 2 1 353.514 3.632 50 0 FHAAMP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000220739376 568360070 /nfs/dbraw/zinc/36/00/70/568360070.db2.gz GWZSEKUOSTYJLB-UHFFFAOYSA-N 2 1 357.325 3.664 50 0 FHAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cccnc3N)CC2)C1 ZINC000092066510 570446679 /nfs/dbraw/zinc/44/66/79/570446679.db2.gz GBPHLNUOPWUZRZ-OAQYLSRUSA-N 2 1 364.537 3.755 50 0 FHAAMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CSc1ccc(F)cc1 ZINC000004299429 570583860 /nfs/dbraw/zinc/58/38/60/570583860.db2.gz KAXFVIRAZLZREN-HXUWFJFHSA-N 2 1 374.525 3.533 50 0 FHAAMP COC(=O)C1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000225515056 571041990 /nfs/dbraw/zinc/04/19/90/571041990.db2.gz FUZIRSBRHSAHJH-ICSRJNTNSA-N 2 1 358.526 3.610 50 0 FHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccco2)nc1 ZINC000077453040 571212005 /nfs/dbraw/zinc/21/20/05/571212005.db2.gz JNJFBKHRPYZYFK-GOSISDBHSA-N 2 1 351.454 3.686 50 0 FHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccco2)nc1 ZINC000077453040 571212006 /nfs/dbraw/zinc/21/20/06/571212006.db2.gz JNJFBKHRPYZYFK-GOSISDBHSA-N 2 1 351.454 3.686 50 0 FHAAMP COc1ccc([C@]2(CC[NH2+]C3CC[NH+](C)CC3)CCOC(C)(C)C2)cc1 ZINC000031819149 571353896 /nfs/dbraw/zinc/35/38/96/571353896.db2.gz YFWZPSFRPAVUEZ-JOCHJYFZSA-N 2 1 360.542 3.596 50 0 FHAAMP CC1(C)CC([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)(C)[NH2+]1 ZINC000007984384 571358034 /nfs/dbraw/zinc/35/80/34/571358034.db2.gz FUMBMTYCNLEWBB-UHFFFAOYSA-N 2 1 352.906 3.900 50 0 FHAAMP COCCn1c(C)cnc1C[C@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000581816345 940620928 /nfs/dbraw/zinc/62/09/28/940620928.db2.gz UQHITFVZLVLDMV-HXUWFJFHSA-N 2 1 355.526 3.909 50 0 FHAAMP COCCn1c(C)c[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000581816345 940620931 /nfs/dbraw/zinc/62/09/31/940620931.db2.gz UQHITFVZLVLDMV-HXUWFJFHSA-N 2 1 355.526 3.909 50 0 FHAAMP COCCn1c(C)c[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000581816345 940620935 /nfs/dbraw/zinc/62/09/35/940620935.db2.gz UQHITFVZLVLDMV-HXUWFJFHSA-N 2 1 355.526 3.909 50 0 FHAAMP Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000067840033 221291893 /nfs/dbraw/zinc/29/18/93/221291893.db2.gz YNRYEXLSGBWLPD-UHFFFAOYSA-N 2 1 372.896 3.907 50 0 FHAAMP Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](CC1CC[NH2+]CC1)CCO2 ZINC000067872026 221298766 /nfs/dbraw/zinc/29/87/66/221298766.db2.gz GNFAHKJIDYYEDK-UHFFFAOYSA-N 2 1 352.478 3.562 50 0 FHAAMP COc1ccc2[nH]c(C[NH+]3CCN(c4cc[nH+]cc4C)CC3)c(C)c2c1 ZINC000097217441 132228095 /nfs/dbraw/zinc/22/80/95/132228095.db2.gz UDPKFTZLNCZSLW-UHFFFAOYSA-N 2 1 350.466 3.511 50 0 FHAAMP Clc1ccc(Oc2cccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)c2)cc1 ZINC000097675436 222204239 /nfs/dbraw/zinc/20/42/39/222204239.db2.gz JQHSMEOBALXNGV-IBGZPJMESA-N 2 1 371.912 3.612 50 0 FHAAMP COCC[N@@H+](CC=C(C)C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012429339 570744094 /nfs/dbraw/zinc/74/40/94/570744094.db2.gz WDPVYESDBXQKDM-UHFFFAOYSA-N 2 1 360.542 3.822 50 0 FHAAMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000004989491 570774984 /nfs/dbraw/zinc/77/49/84/570774984.db2.gz JTFOBBVDBIYLDQ-SFHVURJKSA-N 2 1 368.521 3.889 50 0 FHAAMP [NH3+]Cc1cccc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)c1 ZINC000299761914 223085379 /nfs/dbraw/zinc/08/53/79/223085379.db2.gz ZVHDTVWHPDTELL-ZCNNSNEGSA-N 2 1 360.461 3.888 50 0 FHAAMP c1ccc([C@@H]2C[C@H](c3noc(CCC[NH+]4CCCC4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299782827 223095181 /nfs/dbraw/zinc/09/51/81/223095181.db2.gz DWMZMEBCQRNTFZ-ZCNNSNEGSA-N 2 1 366.509 3.791 50 0 FHAAMP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(-c4ccccc4)ncc32)CC1 ZINC000015066472 220143931 /nfs/dbraw/zinc/14/39/31/220143931.db2.gz ZUCNBGXXGJSMES-HXUWFJFHSA-N 2 1 350.510 3.985 50 0 FHAAMP COc1ccc([C@H](CNC(=[NH2+])Nc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000057752123 221093331 /nfs/dbraw/zinc/09/33/31/221093331.db2.gz FAFFUVADPHRESY-FQEVSTJZSA-N 2 1 352.482 3.859 50 0 FHAAMP CC(C)[NH+]1CCC(C[N@@H+]2CCc3nc[nH]c3[C@@H]2Cc2ccccc2)CC1 ZINC000067885165 221301481 /nfs/dbraw/zinc/30/14/81/221301481.db2.gz HIYYRGFQBSEVSP-NRFANRHFSA-N 2 1 352.526 3.672 50 0 FHAAMP CC(C)[NH+]1CCC(C[N@H+]2CCc3nc[nH]c3[C@@H]2Cc2ccccc2)CC1 ZINC000067885165 221301484 /nfs/dbraw/zinc/30/14/84/221301484.db2.gz HIYYRGFQBSEVSP-NRFANRHFSA-N 2 1 352.526 3.672 50 0 FHAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071385537 221344644 /nfs/dbraw/zinc/34/46/44/221344644.db2.gz YOZZITXHJIIVLG-QFIPXVFZSA-N 2 1 372.532 3.953 50 0 FHAAMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071385537 221344648 /nfs/dbraw/zinc/34/46/48/221344648.db2.gz YOZZITXHJIIVLG-QFIPXVFZSA-N 2 1 372.532 3.953 50 0 FHAAMP COCC[NH+]1CCC(C[N@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071416119 221346488 /nfs/dbraw/zinc/34/64/88/221346488.db2.gz QALHWIYUSKRZBJ-FQEVSTJZSA-N 2 1 362.533 3.829 50 0 FHAAMP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2nccc3ccccc32)C1 ZINC000095521166 132214006 /nfs/dbraw/zinc/21/40/06/132214006.db2.gz BLOMYRPYDFMMKH-IBGZPJMESA-N 2 1 363.509 3.767 50 0 FHAAMP C[C@H](C1CC[NH+](Cc2[nH]c3ccccc3c2Cl)CC1)[NH+]1CCOCC1 ZINC000216274153 568115906 /nfs/dbraw/zinc/11/59/06/568115906.db2.gz UGHTVWSWGRZAFH-OAHLLOKOSA-N 2 1 361.917 3.754 50 0 FHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000244795498 571117239 /nfs/dbraw/zinc/11/72/39/571117239.db2.gz RHKUOQIVECYIPW-GOSISDBHSA-N 2 1 369.444 3.825 50 0 FHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000244795498 571117241 /nfs/dbraw/zinc/11/72/41/571117241.db2.gz RHKUOQIVECYIPW-GOSISDBHSA-N 2 1 369.444 3.825 50 0 FHAAMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000244872962 571118194 /nfs/dbraw/zinc/11/81/94/571118194.db2.gz WHNHEPICTDPYCG-HSZRJFAPSA-N 2 1 363.549 3.878 50 0 FHAAMP CC(=O)Nc1ccc(CC[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000076094443 571274356 /nfs/dbraw/zinc/27/43/56/571274356.db2.gz SRQHZBWARUXVFH-UHFFFAOYSA-N 2 1 367.537 3.935 50 0 FHAAMP COc1ccc([C@@]2(CC[NH2+]C3CC[NH+](C)CC3)CCOC(C)(C)C2)cc1 ZINC000031819145 571353883 /nfs/dbraw/zinc/35/38/83/571353883.db2.gz YFWZPSFRPAVUEZ-QFIPXVFZSA-N 2 1 360.542 3.596 50 0 FHAAMP