smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)s1 ZINC000023429548 695662038 /nfs/dbraw/zinc/66/20/38/695662038.db2.gz YUILBTFWZQZJIR-INIZCTEOSA-N 1 0 352.463 3.370 50 0 FGAARO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCCc3ccc(Cl)cc32)cn1 ZINC000626416256 715902694 /nfs/dbraw/zinc/90/26/94/715902694.db2.gz PODLLKZWYRCUNV-QGZVFWFLSA-N 1 0 361.877 3.297 50 0 FGAARO C[C@H]1CCc2c(sc3ncnc(N4CC[NH+](C[C@@H]5CCCO5)CC4)c32)C1 ZINC000009114737 721908816 /nfs/dbraw/zinc/90/88/16/721908816.db2.gz SWEZCMWWNROFOA-GJZGRUSLSA-N 1 0 372.538 3.117 50 0 FGAARO O=C(NCC12CCC[NH+]1CCC2)Nc1ccc(OC[C@H]2CCCCO2)cc1 ZINC000299759404 203752767 /nfs/dbraw/zinc/75/27/67/203752767.db2.gz HEOWUJSEYUJTAS-LJQANCHMSA-N 1 0 373.497 3.384 50 0 FGAARO CCCC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(C(=O)CCC)c1 ZINC000065739594 203824933 /nfs/dbraw/zinc/82/49/33/203824933.db2.gz AEDUKXINWRSRLC-MRXNPFEDSA-N 1 0 364.486 3.146 50 0 in-vitro FGAARO O=C(c1cccc(F)c1)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515232 204042104 /nfs/dbraw/zinc/04/21/04/204042104.db2.gz BKFSHGJQWRGFNT-UHFFFAOYSA-N 1 0 355.409 3.396 50 0 FGAARO CCn1c2ccccc2nc1N1CCN(C(=O)c2ccccc2F)CC1 ZINC000001370930 204002527 /nfs/dbraw/zinc/00/25/27/204002527.db2.gz RNDVGHBALFENFX-UHFFFAOYSA-N 1 0 352.413 3.158 50 0 FGAARO O=C(c1ccc(F)cc1)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515233 204042762 /nfs/dbraw/zinc/04/27/62/204042762.db2.gz AGVWNUNOPCPYFI-UHFFFAOYSA-N 1 0 355.409 3.396 50 0 FGAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000002258552 204030121 /nfs/dbraw/zinc/03/01/21/204030121.db2.gz BZOKKIDZLOABMB-UHFFFAOYSA-N 1 0 373.453 3.166 50 0 FGAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000002310735 204032488 /nfs/dbraw/zinc/03/24/88/204032488.db2.gz OVTWUXLSTLBFPI-GFCCVEGCSA-N 1 0 361.417 3.297 50 0 FGAARO COc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)cc1OC ZINC000002966498 204070967 /nfs/dbraw/zinc/07/09/67/204070967.db2.gz SDGCNDKOLODNNI-JOCHJYFZSA-N 1 0 367.469 3.354 50 0 FGAARO CCC(=O)c1ccc(OCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000003290746 204088120 /nfs/dbraw/zinc/08/81/20/204088120.db2.gz UQRPBNHGHRTEGI-IBGZPJMESA-N 1 0 354.450 3.077 50 0 FGAARO CCOc1cccc2cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)oc21 ZINC000003324310 204091680 /nfs/dbraw/zinc/09/16/80/204091680.db2.gz FMNGECCJARIWHR-UHFFFAOYSA-N 1 0 372.465 3.231 50 0 FGAARO O=C(c1ccccc1)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000004700619 204156967 /nfs/dbraw/zinc/15/69/67/204156967.db2.gz WOSSYFHXDGEEOT-UHFFFAOYSA-N 1 0 363.505 3.109 50 0 FGAARO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N(CCO)Cc1ccccc1 ZINC000004725531 204158646 /nfs/dbraw/zinc/15/86/46/204158646.db2.gz NXUNAOKFTHZVRJ-UHFFFAOYSA-N 1 0 370.468 3.059 50 0 FGAARO O=C1C[C@@H]([NH2+]C2CCCCC2)C(=O)N1c1ccc(Br)cc1 ZINC000004794906 204163697 /nfs/dbraw/zinc/16/36/97/204163697.db2.gz ULWFSIFMPIIIRM-CQSZACIVSA-N 1 0 351.244 3.003 50 0 FGAARO COc1ccc(OC[C@H](O)C[NH+]2CCC(c3ccccc3OC)CC2)cc1 ZINC000004276666 204130155 /nfs/dbraw/zinc/13/01/55/204130155.db2.gz AYVJLCPSUQEMNS-GOSISDBHSA-N 1 0 371.477 3.323 50 0 FGAARO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C(=O)OC)[nH]c2cccc(C)c21 ZINC000005478490 204210448 /nfs/dbraw/zinc/21/04/48/204210448.db2.gz FGNFHDNZLFXKRC-AWEZNQCLSA-N 1 0 357.454 3.466 50 0 FGAARO CC(C)[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000006943568 204283430 /nfs/dbraw/zinc/28/34/30/204283430.db2.gz UZQYJQSJAXLUOE-UHFFFAOYSA-N 1 0 351.299 3.145 50 0 FGAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc3oc4ccccc4c3c2)n1 ZINC000007045314 204287531 /nfs/dbraw/zinc/28/75/31/204287531.db2.gz UZWPGBLHIOJMIZ-UHFFFAOYSA-N 1 0 365.418 3.271 50 0 FGAARO CCOC(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1 ZINC000007065766 204288120 /nfs/dbraw/zinc/28/81/20/204288120.db2.gz IYGFPOOVIXLRJS-UHFFFAOYSA-N 1 0 355.438 3.247 50 0 FGAARO C[NH+](C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccccc1 ZINC000006660820 204260011 /nfs/dbraw/zinc/26/00/11/204260011.db2.gz MCBQZXPKGNLOKY-SFHVURJKSA-N 1 0 366.392 3.039 50 0 FGAARO O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)NCc1ccco1 ZINC000008261743 204323460 /nfs/dbraw/zinc/32/34/60/204323460.db2.gz SAPBJAHYAUBCBB-CQSZACIVSA-N 1 0 355.463 3.385 50 0 FGAARO C[C@@H](CO)[NH2+]CCOCCOc1ccc(Cl)cc1Cc1ccccc1 ZINC000008750403 204343896 /nfs/dbraw/zinc/34/38/96/204343896.db2.gz CAHWOCYEQDCWDH-INIZCTEOSA-N 1 0 363.885 3.297 50 0 FGAARO C[C@H]1Sc2ccc(C(=O)NCc3ccccc3C[NH+](C)C)cc2NC1=O ZINC000009916972 204386738 /nfs/dbraw/zinc/38/67/38/204386738.db2.gz QAJICAFQUJIPIN-CYBMUJFWSA-N 1 0 369.490 3.111 50 0 FGAARO COc1cc(C[NH2+]CCOCCO)ccc1OCc1ccccc1Cl ZINC000010435648 204396314 /nfs/dbraw/zinc/39/63/14/204396314.db2.gz CXOKEYZYNKUBSY-UHFFFAOYSA-N 1 0 365.857 3.026 50 0 FGAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](CC2CC2)CC1 ZINC000012574139 204475753 /nfs/dbraw/zinc/47/57/53/204475753.db2.gz GEXJNNHTUWBELC-UHFFFAOYSA-N 1 0 368.481 3.338 50 0 FGAARO CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000014531640 204582314 /nfs/dbraw/zinc/58/23/14/204582314.db2.gz HSATVVFYZFZYOL-GOSISDBHSA-N 1 0 367.493 3.272 50 0 FGAARO CN(C)[C@H](C[NH2+]CC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000022029763 204768847 /nfs/dbraw/zinc/76/88/47/204768847.db2.gz UPTWOBLBFUQCEV-LEWJYISDSA-N 1 0 351.494 3.073 50 0 FGAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000036095261 205004068 /nfs/dbraw/zinc/00/40/68/205004068.db2.gz NDXFWIOMTIWYRB-SIKLNZKXSA-N 1 0 371.477 3.116 50 0 FGAARO COCCC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036094991 205004111 /nfs/dbraw/zinc/00/41/11/205004111.db2.gz PVDVDFGDEVWQQZ-HXUWFJFHSA-N 1 0 373.493 3.282 50 0 FGAARO COCCC[N@@H+](Cc1ccc(C)s1)C[C@@H](O)COCc1ccccc1 ZINC000036101404 205004831 /nfs/dbraw/zinc/00/48/31/205004831.db2.gz CUFOXEKUTWHQBJ-LJQANCHMSA-N 1 0 363.523 3.473 50 0 FGAARO C[C@@H](CNC(=O)COc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000040108049 205056147 /nfs/dbraw/zinc/05/61/47/205056147.db2.gz SHYMZGNHXZAJOK-KGLIPLIRSA-N 1 0 369.303 3.065 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2cccnc2)on1 ZINC000040132671 205058839 /nfs/dbraw/zinc/05/88/39/205058839.db2.gz COIGIAOXXMBZFM-UHFFFAOYSA-N 1 0 362.433 3.131 50 0 FGAARO Clc1cccc(COc2cccc(C[NH2+]CCN3CCOCC3)c2)c1 ZINC000040720811 205076605 /nfs/dbraw/zinc/07/66/05/205076605.db2.gz KMLLPYSUQGSRRL-UHFFFAOYSA-N 1 0 360.885 3.341 50 0 FGAARO COc1c(Br)cc(Br)cc1C[NH2+]CCCCO ZINC000040720911 205076817 /nfs/dbraw/zinc/07/68/17/205076817.db2.gz KSVYDOYJCKAQLP-UHFFFAOYSA-N 1 0 367.081 3.082 50 0 FGAARO Cc1noc2nc(-c3cccc(Cl)c3)cc(C(=O)N3CC[C@@H]([NH3+])C3)c12 ZINC000299739909 205116063 /nfs/dbraw/zinc/11/60/63/205116063.db2.gz SQZZQCOZTITEMV-CYBMUJFWSA-N 1 0 356.813 3.025 50 0 FGAARO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cc(Cl)c[nH]3)cc2)C[C@@H](C)O1 ZINC000047539055 205147888 /nfs/dbraw/zinc/14/78/88/205147888.db2.gz PLNZCBRARDNODB-ZIAGYGMSSA-N 1 0 361.873 3.207 50 0 FGAARO C[N@@H+]1CCC[C@@H]1CCNc1nccc(-c2cnn(-c3ccc(F)cc3)c2)n1 ZINC000048327120 205157594 /nfs/dbraw/zinc/15/75/94/205157594.db2.gz IGPGPEFZDYDHKY-QGZVFWFLSA-N 1 0 366.444 3.365 50 0 FGAARO CCOc1ccc2ccccc2c1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000085467947 205170892 /nfs/dbraw/zinc/17/08/92/205170892.db2.gz VYKOCPXHCXPSDQ-UHFFFAOYSA-N 1 0 356.466 3.079 50 0 FGAARO CN(C(=O)C[NH2+]CCOc1ccccc1F)[C@H]1CCCc2ccccc21 ZINC000049580919 205175043 /nfs/dbraw/zinc/17/50/43/205175043.db2.gz RBESRZDJQXOSKC-IBGZPJMESA-N 1 0 356.441 3.330 50 0 FGAARO Cc1noc2ncc(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)cc12 ZINC000054224006 205199034 /nfs/dbraw/zinc/19/90/34/205199034.db2.gz IULXBYZPXGHHLG-YOEHRIQHSA-N 1 0 350.422 3.097 50 0 FGAARO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c(C)c1 ZINC000055108463 205206162 /nfs/dbraw/zinc/20/61/62/205206162.db2.gz VTRHUKUIDBOWAT-IBGZPJMESA-N 1 0 369.440 3.362 50 0 FGAARO CCOC(=O)c1cn(C[C@@H](C(C)C)[NH+](C)C)cc(Oc2ccccc2)c1=O ZINC000055091118 205206444 /nfs/dbraw/zinc/20/64/44/205206444.db2.gz PLXYZWNNNXRQNO-SFHVURJKSA-N 1 0 372.465 3.404 50 0 FGAARO O=c1oc2ccccc2n1CC[N@@H+](Cc1ccsc1)C[C@H]1CCCO1 ZINC000055344548 205216610 /nfs/dbraw/zinc/21/66/10/205216610.db2.gz VODXBTJSUQUMAC-MRXNPFEDSA-N 1 0 358.463 3.337 50 0 FGAARO CC(C)Oc1ccccc1C[NH+]1CCC(C(=O)Nc2cnccn2)CC1 ZINC000055904628 205226356 /nfs/dbraw/zinc/22/63/56/205226356.db2.gz LNAXBZPQOZGOBB-UHFFFAOYSA-N 1 0 354.454 3.115 50 0 FGAARO C[C@H](CNC(=O)N[C@H]1CCOc2c(Cl)cccc21)[NH+]1CCCCC1 ZINC000056806447 205232866 /nfs/dbraw/zinc/23/28/66/205232866.db2.gz TXGWBZTXZADJQV-CJNGLKHVSA-N 1 0 351.878 3.337 50 0 FGAARO O=C(c1cnc2ccccc2n1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000058055514 205249587 /nfs/dbraw/zinc/24/95/87/205249587.db2.gz GMZHDXNZVFLPEJ-UHFFFAOYSA-N 1 0 352.482 3.358 50 0 FGAARO CC(C)N(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C)C(C)C ZINC000058182343 205255888 /nfs/dbraw/zinc/25/58/88/205255888.db2.gz QJNRCLHULPRNRO-IAGOWNOFSA-N 1 0 369.550 3.400 50 0 FGAARO Cc1noc(C)c1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000058193224 205257068 /nfs/dbraw/zinc/25/70/68/205257068.db2.gz DTCLLJKYIYWOCF-UHFFFAOYSA-N 1 0 359.495 3.330 50 0 FGAARO Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)c12 ZINC000058209347 205259379 /nfs/dbraw/zinc/25/93/79/205259379.db2.gz HXLAECCYRJKBFN-OAHLLOKOSA-N 1 0 369.513 3.004 50 0 FGAARO CCCOc1cccc(CNC[C@@H](C[NH+](C)C)[C@H](O)c2ccccc2)c1 ZINC000058213546 205261976 /nfs/dbraw/zinc/26/19/76/205261976.db2.gz FRYCJMNGHVWVBR-RBBKRZOGSA-N 1 0 356.510 3.476 50 0 FGAARO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000058210725 205262669 /nfs/dbraw/zinc/26/26/69/205262669.db2.gz JKJHXEBCAGXTPQ-SCTDSRPQSA-N 1 0 369.509 3.201 50 0 FGAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CS3)C1 ZINC000058342921 205271771 /nfs/dbraw/zinc/27/17/71/205271771.db2.gz XJKNQWFRTCYQNE-IIAWOOMASA-N 1 0 373.522 3.208 50 0 FGAARO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000058015347 205247002 /nfs/dbraw/zinc/24/70/02/205247002.db2.gz SKVOZUUSZBBOFJ-WOJBJXKFSA-N 1 0 372.509 3.028 50 0 FGAARO Cc1nc(C[NH+](C)C)cc(N2CCC[C@H](COc3ccc(F)cc3)C2)n1 ZINC000063871155 205296052 /nfs/dbraw/zinc/29/60/52/205296052.db2.gz QQVQZTAMEVYIJC-INIZCTEOSA-N 1 0 358.461 3.281 50 0 FGAARO Clc1ccc(-c2noc(CN3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000064045034 205297459 /nfs/dbraw/zinc/29/74/59/205297459.db2.gz SYIXRAYAUSEKGB-UHFFFAOYSA-N 1 0 355.829 3.107 50 0 FGAARO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccc2c1CCCC2 ZINC000058433985 205276243 /nfs/dbraw/zinc/27/62/43/205276243.db2.gz JNASJCPXDGDSAI-YLJYHZDGSA-N 1 0 357.498 3.188 50 0 FGAARO Oc1ccc(-c2c(-c3ccccc3)ncn2CC[NH+]2CCC(O)CC2)cc1 ZINC000065425608 205349780 /nfs/dbraw/zinc/34/97/80/205349780.db2.gz NGJDPJNYEULXAN-UHFFFAOYSA-N 1 0 363.461 3.379 50 0 FGAARO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1cccc(C(=O)Nc2cnccn2)c1 ZINC000065435932 205349830 /nfs/dbraw/zinc/34/98/30/205349830.db2.gz JBIMVHBPAHQBKA-INIZCTEOSA-N 1 0 361.449 3.187 50 0 FGAARO Cc1ccsc1[C@@H]1CC[N@@H+](C2CCN(Cc3ccccn3)CC2)C[C@H]1O ZINC000065506883 205356474 /nfs/dbraw/zinc/35/64/74/205356474.db2.gz PKULFVQIMZTEDJ-WOJBJXKFSA-N 1 0 371.550 3.266 50 0 FGAARO Cc1cc([C@H]2CCCN2Cc2cnn(CC[NH+]3CCCCC3)c2C)on1 ZINC000065374587 205341760 /nfs/dbraw/zinc/34/17/60/205341760.db2.gz SGGBSLWMXVBLDW-LJQANCHMSA-N 1 0 357.502 3.311 50 0 FGAARO C[N@@H+](Cc1cc2c(cc1Cl)OCO2)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000065421124 205348153 /nfs/dbraw/zinc/34/81/53/205348153.db2.gz JYRPGTSWSGEQBZ-CYBMUJFWSA-N 1 0 364.873 3.292 50 0 FGAARO COC(=O)Cc1cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)n[nH]1 ZINC000067490644 205372794 /nfs/dbraw/zinc/37/27/94/205372794.db2.gz PHFXQCHHPVNVBG-UHFFFAOYSA-N 1 0 364.449 3.053 50 0 FGAARO CCCCc1nc(Cl)c(C[NH+]2CCC3(CC2)CCNC(=O)CC3)[nH]1 ZINC000067447266 205373096 /nfs/dbraw/zinc/37/30/96/205373096.db2.gz QCCYLJLYLOYMIT-UHFFFAOYSA-N 1 0 352.910 3.288 50 0 FGAARO COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C(C)C)C3)C2)c(OC)c1 ZINC000067459466 205373353 /nfs/dbraw/zinc/37/33/53/205373353.db2.gz KRULQXGURHQHIR-OAQYLSRUSA-N 1 0 360.498 3.174 50 0 FGAARO Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)c(C)c1 ZINC000067629971 205377606 /nfs/dbraw/zinc/37/76/06/205377606.db2.gz ONYOCULKMSJBCJ-UHFFFAOYSA-N 1 0 368.485 3.236 50 0 FGAARO COc1ccc(C[N@H+](C)C2CCN(C(=O)C(C)C)CC2)c2cccnc12 ZINC000067650742 205381132 /nfs/dbraw/zinc/38/11/32/205381132.db2.gz CRGRBYOTDGDSOO-UHFFFAOYSA-N 1 0 355.482 3.322 50 0 FGAARO O[C@@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067726428 205388203 /nfs/dbraw/zinc/38/82/03/205388203.db2.gz VCPIGJOEGRQOOM-RBUKOAKNSA-N 1 0 362.429 3.314 50 0 FGAARO Cc1cccc2[nH]c(C3CC[NH+](Cc4c(CO)cnc(C)c4O)CC3)nc21 ZINC000067743811 205389127 /nfs/dbraw/zinc/38/91/27/205389127.db2.gz VKGVIZMWTYEUBB-UHFFFAOYSA-N 1 0 366.465 3.152 50 0 FGAARO CC[C@@H]1CN(C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CC[NH2+]1 ZINC000067773754 205391406 /nfs/dbraw/zinc/39/14/06/205391406.db2.gz DNEWUGLAEYOTCP-CQSZACIVSA-N 1 0 358.442 3.026 50 0 FGAARO C[C@H](CNc1nc(-c2ccccc2)nc2c1CC[NH2+]C2)Oc1cccnc1 ZINC000067818501 205394995 /nfs/dbraw/zinc/39/49/95/205394995.db2.gz HFEMLRNMPNXNTI-OAHLLOKOSA-N 1 0 361.449 3.064 50 0 FGAARO Cc1ncc(C[NH+]2CCC3(CCN(C(=O)OCC(C)C)CC3)CC2)n1C ZINC000072132022 205474832 /nfs/dbraw/zinc/47/48/32/205474832.db2.gz DQSLWGBOUBAZIA-UHFFFAOYSA-N 1 0 362.518 3.199 50 0 FGAARO Cn1c(=O)cc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c2ccccc21 ZINC000095382798 205745273 /nfs/dbraw/zinc/74/52/73/205745273.db2.gz MYOAXMWHMMODNA-QGZVFWFLSA-N 1 0 367.493 3.019 50 0 FGAARO O=C(C[N@@H+]1CCC[C@H](c2ccccc2)C1)NCCSc1ccccn1 ZINC000095388245 205750278 /nfs/dbraw/zinc/75/02/78/205750278.db2.gz IPSQRPGKZARQIR-SFHVURJKSA-N 1 0 355.507 3.170 50 0 FGAARO COCCNC(=O)c1ccc(OC2CC[NH+](CC(C)C)CC2)c(Cl)c1 ZINC000095504283 205772259 /nfs/dbraw/zinc/77/22/59/205772259.db2.gz NRKFFBCYVWUOSR-UHFFFAOYSA-N 1 0 368.905 3.215 50 0 FGAARO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCOC1 ZINC000095941389 205795142 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CC(C)=CCN1CC2(CC1=O)CC[NH+](Cc1cccc3nonc31)CC2 ZINC000091680146 494642197 /nfs/dbraw/zinc/64/21/97/494642197.db2.gz RFHYPXQQTDXGOU-UHFFFAOYSA-N 1 0 354.454 3.004 50 0 FGAARO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC000024688137 494654722 /nfs/dbraw/zinc/65/47/22/494654722.db2.gz XTUVNQNFZXBLGM-GOSISDBHSA-N 1 0 364.486 3.057 50 0 FGAARO Cc1ccc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cc1F ZINC000091737222 494660438 /nfs/dbraw/zinc/66/04/38/494660438.db2.gz PFAFNIJSVBLLES-QFIPXVFZSA-N 1 0 373.516 3.043 50 0 FGAARO O=C(c1cccc(Cl)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091755148 494667238 /nfs/dbraw/zinc/66/72/38/494667238.db2.gz HBPMSSKNJFXDPU-QFBILLFUSA-N 1 0 355.869 3.472 50 0 FGAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000024856437 494671312 /nfs/dbraw/zinc/67/13/12/494671312.db2.gz WHNZFKFSKLCYCU-CALCHBBNSA-N 1 0 357.498 3.127 50 0 FGAARO CCOc1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)c1 ZINC000091780656 494676857 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O=C1CCC2(CC[NH+](C[C@H]3CC=CCC3)CC2)CN1CCc1c[nH]cn1 ZINC000091915362 494720778 /nfs/dbraw/zinc/72/07/78/494720778.db2.gz OOZAQHHGGGGOAC-SFHVURJKSA-N 1 0 356.514 3.013 50 0 FGAARO Cc1noc(-c2ccc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cc2)n1 ZINC000025332204 494725839 /nfs/dbraw/zinc/72/58/39/494725839.db2.gz KNRBUJAZVPFMOR-INIZCTEOSA-N 1 0 356.451 3.139 50 0 FGAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000091934338 494727549 /nfs/dbraw/zinc/72/75/49/494727549.db2.gz ADSQEEABIBYPSP-SFHVURJKSA-N 1 0 370.497 3.224 50 0 FGAARO Cc1nc(CC2CC[NH+](Cc3cc(=O)c4cccc(F)c4[nH]3)CC2)no1 ZINC000091951403 494731363 /nfs/dbraw/zinc/73/13/63/494731363.db2.gz CFSHMOQTVMPXBM-UHFFFAOYSA-N 1 0 356.401 3.226 50 0 FGAARO C[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000025640828 494764189 /nfs/dbraw/zinc/76/41/89/494764189.db2.gz YUUGDCVNJZKNGZ-CYBMUJFWSA-N 1 0 363.383 3.277 50 0 FGAARO CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000092038436 494764302 /nfs/dbraw/zinc/76/43/02/494764302.db2.gz BXFRNKIFMSZEHW-OAHLLOKOSA-N 1 0 360.527 3.482 50 0 FGAARO CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cc1 ZINC000092081123 494784300 /nfs/dbraw/zinc/78/43/00/494784300.db2.gz APWWJUQFTZNHRG-FUHWJXTLSA-N 1 0 371.506 3.165 50 0 FGAARO OC[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1C[NH+]1CCCCC1 ZINC000092081482 494784484 /nfs/dbraw/zinc/78/44/84/494784484.db2.gz GKTHZOHNTVZFMC-IAGOWNOFSA-N 1 0 356.432 3.232 50 0 FGAARO COc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793052 494885378 /nfs/dbraw/zinc/88/53/78/494885378.db2.gz YUNOZRJFQNZQBF-OAQYLSRUSA-N 1 0 368.477 3.336 50 0 FGAARO [NH3+][C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)C1 ZINC000132595435 494897149 /nfs/dbraw/zinc/89/71/49/494897149.db2.gz WIZICVQFEKRURO-CYBMUJFWSA-N 1 0 351.328 3.066 50 0 FGAARO O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCN(C2CC2)CC1 ZINC000127166350 494903186 /nfs/dbraw/zinc/90/31/86/494903186.db2.gz DSBCJRUMSCOHAK-UHFFFAOYSA-N 1 0 360.458 3.185 50 0 FGAARO CCC[N@H+](C)C[C@@H]1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000093753109 494917601 /nfs/dbraw/zinc/91/76/01/494917601.db2.gz QFFLQXWXSICAKW-INIZCTEOSA-N 1 0 370.497 3.012 50 0 FGAARO COCCCN1CC2(CC1=O)CC[NH+](Cc1ccnc3ccccc13)CC2 ZINC000095356946 494962450 /nfs/dbraw/zinc/96/24/50/494962450.db2.gz YBGFSFQGTRBAGH-UHFFFAOYSA-N 1 0 367.493 3.086 50 0 FGAARO COCCCN1CC2(CC1=O)CC[NH+](Cc1cc3ccccc3n1C)CC2 ZINC000095357100 494962533 /nfs/dbraw/zinc/96/25/33/494962533.db2.gz HIXBPTFXBDMUSF-UHFFFAOYSA-N 1 0 369.509 3.029 50 0 FGAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H]2CC[NH2+]C2)c(C)c1 ZINC000127565222 494962578 /nfs/dbraw/zinc/96/25/78/494962578.db2.gz YNPQGDDVDCZRJK-KRWDZBQOSA-N 1 0 360.461 3.248 50 0 FGAARO CC(C)CCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095368800 494967058 /nfs/dbraw/zinc/96/70/58/494967058.db2.gz VATRCUWRNSLBTC-MTNREXPMSA-N 1 0 370.493 3.240 50 0 FGAARO COCCOc1ccc(CNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000095375845 494968674 /nfs/dbraw/zinc/96/86/74/494968674.db2.gz BZJQUQCWUDVWOA-FQEVSTJZSA-N 1 0 368.477 3.109 50 0 FGAARO Cc1cccc2[nH]c(CCNC(=O)[C@@H]3CCC[N@H+](Cc4ccco4)C3)nc21 ZINC000095375690 494968681 /nfs/dbraw/zinc/96/86/81/494968681.db2.gz XEJFBPHIHUNBJA-MRXNPFEDSA-N 1 0 366.465 3.035 50 0 FGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCO[C@@H](c2ccccc2)C1 ZINC000095376702 494968813 /nfs/dbraw/zinc/96/88/13/494968813.db2.gz OJARTMXVMAOFRL-HXUWFJFHSA-N 1 0 354.450 3.092 50 0 FGAARO O=C(NCCOc1cccc2cccnc21)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095382840 494971088 /nfs/dbraw/zinc/97/10/88/494971088.db2.gz GNPPZOCSMSRVEG-GOSISDBHSA-N 1 0 367.493 3.384 50 0 FGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cc(OC)ccn2)C3)cc1 ZINC000095385224 494972127 /nfs/dbraw/zinc/97/21/27/494972127.db2.gz CPWFGSMTLDHGRG-AZUAARDMSA-N 1 0 367.493 3.195 50 0 FGAARO CN1CC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000095462862 494976976 /nfs/dbraw/zinc/97/69/76/494976976.db2.gz PKQIFKCDNWQBOR-AEFFLSMTSA-N 1 0 357.876 3.404 50 0 FGAARO C[C@H]1C[NH+](CCCN(Cc2cscn2)Cc2cscn2)C[C@H](C)O1 ZINC000095469324 494978601 /nfs/dbraw/zinc/97/86/01/494978601.db2.gz UERQCOAPGGQABW-GJZGRUSLSA-N 1 0 366.556 3.101 50 0 FGAARO O[C@H](COc1ccc(Cl)cc1CN1CCC1)C[NH+]1CCCCCC1 ZINC000095497745 494980525 /nfs/dbraw/zinc/98/05/25/494980525.db2.gz DGHFHBXLMBOCMJ-SFHVURJKSA-N 1 0 352.906 3.161 50 0 FGAARO CSCCc1nc(-c2csc(SC)n2)n(C2CC[NH+](C)CC2)n1 ZINC000095515157 494984214 /nfs/dbraw/zinc/98/42/14/494984214.db2.gz RJUMOPWNHAGUQO-UHFFFAOYSA-N 1 0 369.585 3.296 50 0 FGAARO CCCn1nc(C)c(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)c1C ZINC000095512795 494984382 /nfs/dbraw/zinc/98/43/82/494984382.db2.gz LGCULGKDAHMQGN-QGZVFWFLSA-N 1 0 358.486 3.031 50 0 FGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(F)c1F)CC2 ZINC000095511986 494984485 /nfs/dbraw/zinc/98/44/85/494984485.db2.gz FTBJBYZEMKKINJ-UHFFFAOYSA-N 1 0 374.435 3.088 50 0 FGAARO CC[C@H](C)n1nc(C)cc1NC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000095515357 494984582 /nfs/dbraw/zinc/98/45/82/494984582.db2.gz CWDBEJLKNUNSOI-HNNXBMFYSA-N 1 0 365.547 3.208 50 0 FGAARO O=C1[C@H]2CC[C@H](C[N@H+](CCSc3ccccc3)C2)N1Cc1cscn1 ZINC000095518827 494985095 /nfs/dbraw/zinc/98/50/95/494985095.db2.gz MIBIBOCQORAVLZ-DOTOQJQBSA-N 1 0 373.547 3.358 50 0 FGAARO CNC(=O)c1cccc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)c1 ZINC000095959501 494992431 /nfs/dbraw/zinc/99/24/31/494992431.db2.gz WSGIIBYZSMDVNG-UHFFFAOYSA-N 1 0 363.505 3.321 50 0 FGAARO O=C(Nc1ccc(N2CCCC2=O)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000096148518 495004605 /nfs/dbraw/zinc/00/46/05/495004605.db2.gz QGAWECSJMJFLKI-UHFFFAOYSA-N 1 0 370.497 3.296 50 0 FGAARO Cc1noc(-c2ccc(NC(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)cc2)n1 ZINC000096153848 495004847 /nfs/dbraw/zinc/00/48/47/495004847.db2.gz PNKIYDVCRQMTRN-ZDUSSCGKSA-N 1 0 355.442 3.136 50 0 FGAARO O=C(Nc1cccc(OC(F)F)c1)N1CCC([NH+]2CCSCC2)CC1 ZINC000096162943 495005835 /nfs/dbraw/zinc/00/58/35/495005835.db2.gz CXRPZQZKOZSOCR-UHFFFAOYSA-N 1 0 371.453 3.333 50 0 FGAARO COc1ccc(/C=C\C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000096585386 495012755 /nfs/dbraw/zinc/01/27/55/495012755.db2.gz ASISJWQWSGZSBK-ZMOVQZPESA-N 1 0 366.461 3.108 50 0 FGAARO COc1ccc(OC)c(/C=C\C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000096578766 495012966 /nfs/dbraw/zinc/01/29/66/495012966.db2.gz HGQSIMSBDPKEHJ-SCEWNMGZSA-N 1 0 372.440 3.275 50 0 FGAARO CN(Cc1ccc2nonc2c1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000097076821 495022754 /nfs/dbraw/zinc/02/27/54/495022754.db2.gz KMBGZVZJRGSBJV-UHFFFAOYSA-N 1 0 364.449 3.481 50 0 FGAARO COc1ccc(CN(Cc2ccccn2)C(=O)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000097294947 495032094 /nfs/dbraw/zinc/03/20/94/495032094.db2.gz OIIDRWFJJCHYLO-LJQANCHMSA-N 1 0 353.466 3.103 50 0 FGAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cccc(Cn2cccn2)c1 ZINC000097360187 495034013 /nfs/dbraw/zinc/03/40/13/495034013.db2.gz KJWORMZNHUAHFH-JOCHJYFZSA-N 1 0 374.488 3.151 50 0 FGAARO CC(=O)Nc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000097610134 495040205 /nfs/dbraw/zinc/04/02/05/495040205.db2.gz JYTNGAAYENRTHH-INIZCTEOSA-N 1 0 358.486 3.421 50 0 FGAARO Cc1ccccc1[C@@H](CNC(=O)CCc1cnn(C)c1)[NH+]1CCC(C)CC1 ZINC000097775481 495045643 /nfs/dbraw/zinc/04/56/43/495045643.db2.gz QDKDFZCWEXTRGM-OAQYLSRUSA-N 1 0 368.525 3.251 50 0 FGAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)/C=C\c1cccc(CO)c1 ZINC000098056700 495051853 /nfs/dbraw/zinc/05/18/53/495051853.db2.gz GEIAFEBFKWDETO-YAINUAMHSA-N 1 0 364.489 3.315 50 0 FGAARO O[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000102540319 495140361 /nfs/dbraw/zinc/14/03/61/495140361.db2.gz KOVYVNFNAIRKAP-LJQANCHMSA-N 1 0 354.479 3.479 50 0 FGAARO C[C@H](NC(=O)c1ccc(Br)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000170597966 495531308 /nfs/dbraw/zinc/53/13/08/495531308.db2.gz DWSHOCHWVBEFDM-LRDDRELGSA-N 1 0 362.271 3.265 50 0 FGAARO CCN(CC)c1nc2sc(C(=O)N3CC[C@H]([N@H+](C)CC)C3)cc2s1 ZINC000170606208 495533440 /nfs/dbraw/zinc/53/34/40/495533440.db2.gz FWYMDOYFNOBQQG-LBPRGKRZSA-N 1 0 366.556 3.370 50 0 FGAARO Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000170676898 495558940 /nfs/dbraw/zinc/55/89/40/495558940.db2.gz LIMCBAJYNOYYJZ-IBGZPJMESA-N 1 0 368.868 3.323 50 0 FGAARO CCc1oc(C(=O)N2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1C[NH+](CC)CC ZINC000221267211 497018602 /nfs/dbraw/zinc/01/86/02/497018602.db2.gz LDMOBYUIDBCKDL-OAHLLOKOSA-N 1 0 373.501 3.130 50 0 FGAARO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1O ZINC000225424690 497062453 /nfs/dbraw/zinc/06/24/53/497062453.db2.gz RHKJSDIEPZYGSD-GOEBONIOSA-N 1 0 359.445 3.125 50 0 FGAARO COCC[N@H+](CCCOc1ccc2c(c1)OCO2)C1CCSCC1 ZINC000225672300 497070388 /nfs/dbraw/zinc/07/03/88/497070388.db2.gz KRZBYMRXQABREJ-UHFFFAOYSA-N 1 0 353.484 3.028 50 0 FGAARO Cc1cc(F)ccc1CN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000230182725 497103649 /nfs/dbraw/zinc/10/36/49/497103649.db2.gz SUCXLWUITLTLJK-JOCHJYFZSA-N 1 0 373.516 3.043 50 0 FGAARO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000237539212 497251979 /nfs/dbraw/zinc/25/19/79/497251979.db2.gz CRSOYAMZBCTYBM-RYUDHWBXSA-N 1 0 367.540 3.094 50 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O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000047032959 206079536 /nfs/dbraw/zinc/07/95/36/206079536.db2.gz JOPAMBZDDNUKSW-SFHVURJKSA-N 1 0 366.433 3.080 50 0 FGAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)N(C)C1CC[NH2+]CC1 ZINC000237096036 206085761 /nfs/dbraw/zinc/08/57/61/206085761.db2.gz BMECTDDUOWKGCX-MDZDMXLPSA-N 1 0 366.509 3.080 50 0 FGAARO COc1cc(/C=C/C(=O)N2CCC[C@H]2C[NH3+])cc(Cl)c1OC(C)C ZINC000237165626 206088354 /nfs/dbraw/zinc/08/83/54/206088354.db2.gz LJYDGNUARZFZTC-UZYOAWRESA-N 1 0 352.862 3.099 50 0 FGAARO Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)C[NH+]2CCCC2)[C@H]3CCC1 ZINC000101204106 206138103 /nfs/dbraw/zinc/13/81/03/206138103.db2.gz NPWUHZYQTKDTJG-UWJYYQICSA-N 1 0 353.510 3.099 50 0 FGAARO CC(C)(C1CC[NH2+]CC1)S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000138623822 206136738 /nfs/dbraw/zinc/13/67/38/206136738.db2.gz BVEGYJCLXLHKIP-UHFFFAOYSA-N 1 0 353.381 3.396 50 0 FGAARO COc1ccccc1C(=O)NCCn1cc(SC(N)=[NH2+])c2ccccc21 ZINC000003851009 206165628 /nfs/dbraw/zinc/16/56/28/206165628.db2.gz XOBCREVAQPFILS-UHFFFAOYSA-N 1 0 368.462 3.065 50 0 FGAARO O=C1C[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 ZINC000004648914 206237038 /nfs/dbraw/zinc/23/70/38/206237038.db2.gz BLWQYVNRQCKEKS-MRXNPFEDSA-N 1 0 363.244 3.458 50 0 FGAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(Oc2ccccc2)c1 ZINC000106577571 206310477 /nfs/dbraw/zinc/31/04/77/206310477.db2.gz NPUIOTHJAFKPOF-FXAWDEMLSA-N 1 0 352.434 3.072 50 0 FGAARO Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000013120156 206334103 /nfs/dbraw/zinc/33/41/03/206334103.db2.gz RXRROCHGBLSSAP-UYAOXDASSA-N 1 0 365.477 3.181 50 0 FGAARO COCCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3ccc(C)o3)cc2)C1 ZINC000214967473 206343139 /nfs/dbraw/zinc/34/31/39/206343139.db2.gz FHPJYLQQHZBMBC-QGZVFWFLSA-N 1 0 356.466 3.343 50 0 FGAARO Cc1cccc(-c2ncc(C[NH+]3CCC(O)(c4cccnc4)CC3)cn2)c1 ZINC000215380438 206345059 /nfs/dbraw/zinc/34/50/59/206345059.db2.gz NCWDTYFFVJVKFH-UHFFFAOYSA-N 1 0 360.461 3.331 50 0 FGAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2[nH]c(-c3ccc(Cl)cc3)nc2C1 ZINC000215401580 206346506 /nfs/dbraw/zinc/34/65/06/206346506.db2.gz UHLXZWBWCCJXPW-QGZVFWFLSA-N 1 0 358.873 3.099 50 0 FGAARO Cc1nc(C2CC[NH+](Cc3ccc([C@H]4CCCO4)s3)CC2)cc(=O)[nH]1 ZINC000215861860 206352305 /nfs/dbraw/zinc/35/23/05/206352305.db2.gz YIWPQRLWNXBXEW-QGZVFWFLSA-N 1 0 359.495 3.371 50 0 FGAARO Fc1ccc2nc(CN3CCCO[C@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000216208253 206357011 /nfs/dbraw/zinc/35/70/11/206357011.db2.gz RVQJYNIPJJSJDU-HXUWFJFHSA-N 1 0 357.473 3.451 50 0 FGAARO Cc1ccc([C@H](CC(=O)NCC[NH+]2CCC(O)CC2)c2ccccc2)cc1 ZINC000219177944 206380305 /nfs/dbraw/zinc/38/03/05/206380305.db2.gz WILGWFZHAAAOPO-JOCHJYFZSA-N 1 0 366.505 3.090 50 0 FGAARO O=C(N[C@H](Cn1cccn1)c1ccccc1)C1([NH+]2CCCC2)CCCC1 ZINC000219316690 206382002 /nfs/dbraw/zinc/38/20/02/206382002.db2.gz HXYWRRPDTKUZDU-LJQANCHMSA-N 1 0 352.482 3.149 50 0 FGAARO O=C(N1CC[C@H]([NH+]2CCCC2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000060374130 221130436 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CN(C)c1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000002939541 132384433 /nfs/dbraw/zinc/38/44/33/132384433.db2.gz XDWLDLHOOWDFRE-UHFFFAOYSA-N 1 0 370.472 3.043 50 0 FGAARO c1nc(-c2ccccc2)sc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000055344678 136126591 /nfs/dbraw/zinc/12/65/91/136126591.db2.gz MNLSWRFQJNZHAP-MRXNPFEDSA-N 1 0 351.479 3.359 50 0 FGAARO CN1CC2(CC[NH+](C3CCN(c4ccc5c(c4)CCC5)CC3)CC2)OC1=O ZINC000072406874 136145129 /nfs/dbraw/zinc/14/51/29/136145129.db2.gz ZSAOLUGOPCSYBF-UHFFFAOYSA-N 1 0 369.509 3.061 50 0 FGAARO CCc1cc(N2CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)CC2)ncn1 ZINC000072419734 136145905 /nfs/dbraw/zinc/14/59/05/136145905.db2.gz XTMPKNSNFWDCHI-UHFFFAOYSA-N 1 0 368.525 3.065 50 0 FGAARO O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCC(Oc2cccnc2)CC1 ZINC000019745146 263375561 /nfs/dbraw/zinc/37/55/61/263375561.db2.gz IBADKEJRLIFLAC-MRXNPFEDSA-N 1 0 357.479 3.251 50 0 FGAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+][C@H](C)Cc3ccccc3)C2=O)cc1 ZINC000019771976 263376662 /nfs/dbraw/zinc/37/66/62/263376662.db2.gz UCQGLPIPPACENZ-OXQOHEQNSA-N 1 0 366.461 3.328 50 0 FGAARO Cc1c2ccccc2oc1C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027991979 493771123 /nfs/dbraw/zinc/77/11/23/493771123.db2.gz BCIHZAGBFVEFHH-UHFFFAOYSA-N 1 0 369.509 3.421 50 0 FGAARO CC[NH+](CC)CCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000865041 493777290 /nfs/dbraw/zinc/77/72/90/493777290.db2.gz OBPFJQCHOOQODN-UJKMTWAASA-N 1 0 374.484 3.220 50 0 FGAARO Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)oc2c1C ZINC000028290712 493783725 /nfs/dbraw/zinc/78/37/25/493783725.db2.gz JFFXNRIPCVFJQC-GOSISDBHSA-N 1 0 364.445 3.443 50 0 FGAARO Cc1ccc(OCC[N@@H+](C)CCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000028901532 493806070 /nfs/dbraw/zinc/80/60/70/493806070.db2.gz SBKZREDJSHSNRW-UHFFFAOYSA-N 1 0 356.422 3.063 50 0 FGAARO CNc1cc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c2ccccc2n1 ZINC000076017689 493809506 /nfs/dbraw/zinc/80/95/06/493809506.db2.gz DMXLXHNMQMDLDO-HRCADAONSA-N 1 0 354.498 3.373 50 0 FGAARO COCC[NH+]1CCC(N[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000076046878 493812417 /nfs/dbraw/zinc/81/24/17/493812417.db2.gz RDTZQVNBGNDWMR-LBPRGKRZSA-N 1 0 374.312 3.021 50 0 FGAARO C[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCc2ccccc21 ZINC000029489135 493841445 /nfs/dbraw/zinc/84/14/45/493841445.db2.gz FVVCTCHXFCMARO-HXUWFJFHSA-N 1 0 363.461 3.371 50 0 FGAARO CC(=O)Nc1ccc(/C=C/C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000029954286 493869499 /nfs/dbraw/zinc/86/94/99/493869499.db2.gz QFQDVNGZNRIJDH-IXDOJHRFSA-N 1 0 351.450 3.077 50 0 FGAARO C[NH+]1CCN(c2ccccc2NC(=O)COc2ccccc2Cl)CC1 ZINC000004932846 493901028 /nfs/dbraw/zinc/90/10/28/493901028.db2.gz MABNPEFPKVQMHA-UHFFFAOYSA-N 1 0 359.857 3.109 50 0 FGAARO C[C@H](CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)[NH+]1CCC(C)CC1 ZINC000069385765 493966193 /nfs/dbraw/zinc/96/61/93/493966193.db2.gz YVTCVROJUNFRNN-OAHLLOKOSA-N 1 0 358.511 3.385 50 0 FGAARO COc1cccc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)c1OC ZINC000082092491 493978514 /nfs/dbraw/zinc/97/85/14/493978514.db2.gz ZIKORXMKYZZLFE-UHFFFAOYSA-N 1 0 367.449 3.103 50 0 FGAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000082230389 493980592 /nfs/dbraw/zinc/98/05/92/493980592.db2.gz RMOPTDYDAZMVHO-UHFFFAOYSA-N 1 0 367.375 3.078 50 0 FGAARO CC(C)(CN1CCC2(CC1)Nc1ccccc1NC2=O)[NH+]1CCCCC1 ZINC000082136911 493981101 /nfs/dbraw/zinc/98/11/01/493981101.db2.gz FLALCGBUAXVIPX-UHFFFAOYSA-N 1 0 356.514 3.150 50 0 FGAARO c1c(CNc2ncnc3c2CCC3)nn2c1C[N@H+](C1CCCCC1)CCC2 ZINC000082146632 493981155 /nfs/dbraw/zinc/98/11/55/493981155.db2.gz ZBOLDKONLXUANW-UHFFFAOYSA-N 1 0 366.513 3.312 50 0 FGAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CN1C(C)C ZINC000032503300 493994132 /nfs/dbraw/zinc/99/41/32/493994132.db2.gz JVQIIXCMXMRRAN-SJORKVTESA-N 1 0 371.447 3.171 50 0 FGAARO CCc1nn2c(nc(C[N@H+](C)[C@@H]3CCCc4ccccc43)cc2=O)s1 ZINC000032753300 494012957 /nfs/dbraw/zinc/01/29/57/494012957.db2.gz XMQSJJBSXFGGDJ-MRXNPFEDSA-N 1 0 354.479 3.223 50 0 FGAARO Cc1cc(NC(=O)Nc2ccc3c(c2)OCO3)ccc1N1CC[NH+](C)CC1 ZINC000032870368 494023114 /nfs/dbraw/zinc/02/31/14/494023114.db2.gz MCTWPPNEKJOFOI-UHFFFAOYSA-N 1 0 368.437 3.120 50 0 FGAARO Cc1ccc2c(c1)-c1onc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c1CO2 ZINC000032920469 494027408 /nfs/dbraw/zinc/02/74/08/494027408.db2.gz MSCXOELNKJBACG-OAHLLOKOSA-N 1 0 369.465 3.394 50 0 FGAARO C[NH+](C)C[C@H](CNC(=O)Nc1cccc(Cl)c1)[C@@H](O)c1ccccc1 ZINC000032912654 494028059 /nfs/dbraw/zinc/02/80/59/494028059.db2.gz FBSSGQMNBKQRAQ-YJBOKZPZSA-N 1 0 361.873 3.373 50 0 FGAARO CC[NH+](CC)CCSc1ccc(C(=O)NCc2ccc(OC)cc2)cn1 ZINC000033115247 494045490 /nfs/dbraw/zinc/04/54/90/494045490.db2.gz JWZWBFQUFKXMTA-UHFFFAOYSA-N 1 0 373.522 3.454 50 0 FGAARO CC(C)Oc1ccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000063332448 494045693 /nfs/dbraw/zinc/04/56/93/494045693.db2.gz GVYYETBULSPHBV-UHFFFAOYSA-N 1 0 374.529 3.323 50 0 FGAARO COc1cc(C[N@@H+]2CCCC[C@@H]2CCNC(C)=O)cc(Cl)c1OC ZINC000077299646 494051901 /nfs/dbraw/zinc/05/19/01/494051901.db2.gz LKLKMNGOCGXSGJ-OAHLLOKOSA-N 1 0 354.878 3.238 50 0 FGAARO Cc1cccc(-n2cc(C[N@@H+]3CCCC[C@@H]3CCN3CCOCC3)cn2)c1 ZINC000077303099 494052266 /nfs/dbraw/zinc/05/22/66/494052266.db2.gz CEXAHWDBNFZYHT-OAQYLSRUSA-N 1 0 368.525 3.258 50 0 FGAARO FC(F)Oc1cccc(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)c1 ZINC000077355896 494065513 /nfs/dbraw/zinc/06/55/13/494065513.db2.gz GTVPTEYAMSDKPA-QGZVFWFLSA-N 1 0 354.441 3.365 50 0 FGAARO COCc1ccc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)s1 ZINC000077374999 494069909 /nfs/dbraw/zinc/06/99/09/494069909.db2.gz MZGJNPDLNVNACS-ZWKOTPCHSA-N 1 0 358.507 3.373 50 0 FGAARO Cc1cc(N2CCCN(C(=O)CCC(=O)c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000077387470 494073827 /nfs/dbraw/zinc/07/38/27/494073827.db2.gz UUNIQRHCLFQEAY-UHFFFAOYSA-N 1 0 369.440 3.231 50 0 FGAARO Cc1cc(F)cc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071614021 494093999 /nfs/dbraw/zinc/09/39/99/494093999.db2.gz LZVJPPKEAQQZKM-GOSISDBHSA-N 1 0 373.516 3.089 50 0 FGAARO 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COc1ccc2c(C)c(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)oc2c1 ZINC000091745239 494665370 /nfs/dbraw/zinc/66/53/70/494665370.db2.gz ULWWZLGRECJQFS-QGZVFWFLSA-N 1 0 372.465 3.123 50 0 FGAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1c(C)nc3cc(C)ccn31)C2 ZINC000091755344 494667327 /nfs/dbraw/zinc/66/73/27/494667327.db2.gz XFCCDHCEMLUWQP-RTBURBONSA-N 1 0 366.509 3.454 50 0 FGAARO COc1ccc(OCc2ccccn2)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000092616020 494688220 /nfs/dbraw/zinc/68/82/20/494688220.db2.gz VWJHLMXYSPOVFF-HXUWFJFHSA-N 1 0 367.493 3.339 50 0 FGAARO CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)cc1CO ZINC000091831110 494696578 /nfs/dbraw/zinc/69/65/78/494696578.db2.gz LQCFWULADBRKEP-PZJWPPBQSA-N 1 0 358.526 3.274 50 0 FGAARO c1cnn(C[C@@H]2CCC[N@@H+]2Cc2cnc3c(-c4ccccc4)cnn3c2)c1 ZINC000067955260 494707935 /nfs/dbraw/zinc/70/79/35/494707935.db2.gz OHSYFGXUFRKEMQ-IBGZPJMESA-N 1 0 358.449 3.257 50 0 FGAARO Cn1ccnc1C1CCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)CC1 ZINC000091859891 494708201 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FGAARO c1nnc2ccc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nn12 ZINC000027793455 494885126 /nfs/dbraw/zinc/88/51/26/494885126.db2.gz JSWDKVDZIABNBF-UHFFFAOYSA-N 1 0 370.460 3.036 50 0 FGAARO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@@H]3CC[NH2+]C3)cc12 ZINC000127217506 494910887 /nfs/dbraw/zinc/91/08/87/494910887.db2.gz IBIYTPPNVBHQQU-CYBMUJFWSA-N 1 0 374.897 3.200 50 0 FGAARO Cc1nccn1Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(C)cc3)C2)n1C ZINC000095354208 494961534 /nfs/dbraw/zinc/96/15/34/494961534.db2.gz DEAWXDJKEXXDMD-LJQANCHMSA-N 1 0 364.497 3.056 50 0 FGAARO O=C(NCc1coc(-c2ccccc2)n1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095358825 494963602 /nfs/dbraw/zinc/96/36/02/494963602.db2.gz MVLHRNQQBQGFPO-QGZVFWFLSA-N 1 0 365.433 3.463 50 0 FGAARO O=C(c1ccc2ncsc2c1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095362899 494964126 /nfs/dbraw/zinc/96/41/26/494964126.db2.gz WHTRNEARIQUUJB-WMLDXEAASA-N 1 0 371.506 3.012 50 0 FGAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](Cc1ccncc1)CC2 ZINC000095364348 494964387 /nfs/dbraw/zinc/96/43/87/494964387.db2.gz HNSVHTKSLDRQLH-UHFFFAOYSA-N 1 0 371.431 3.375 50 0 FGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2scnc2C)C3)cc1 ZINC000095363192 494964397 /nfs/dbraw/zinc/96/43/97/494964397.db2.gz KGIZOGQPIQXLEZ-DLBZAZTESA-N 1 0 371.506 3.197 50 0 FGAARO CCSc1ncc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)cn1 ZINC000095366149 494965178 /nfs/dbraw/zinc/96/51/78/494965178.db2.gz QHUUFMIJPBDFQY-QFBILLFUSA-N 1 0 369.538 3.080 50 0 FGAARO CCn1ccnc1CN1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095366505 494965606 /nfs/dbraw/zinc/96/56/06/494965606.db2.gz MZNXJZHTJAZCPC-CEWLAPEOSA-N 1 0 354.473 3.104 50 0 FGAARO Cc1cc(Cl)ccc1C(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000095370243 494967011 /nfs/dbraw/zinc/96/70/11/494967011.db2.gz CVFHZSLVHCRMTL-INIZCTEOSA-N 1 0 374.916 3.426 50 0 FGAARO Cc1cccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c1C ZINC000095372544 494967502 /nfs/dbraw/zinc/96/75/02/494967502.db2.gz QVMQROUUGTXSLG-IBGZPJMESA-N 1 0 368.525 3.471 50 0 FGAARO Cc1nccn1Cc1nnc([C@@H]2CCC[N@@H+](C3CCCCCC3)C2)n1C ZINC000095377361 494968601 /nfs/dbraw/zinc/96/86/01/494968601.db2.gz AJOFNNQZYBFAEN-QGZVFWFLSA-N 1 0 356.518 3.271 50 0 FGAARO COCCOc1ccc(CNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000095375844 494969062 /nfs/dbraw/zinc/96/90/62/494969062.db2.gz BZJQUQCWUDVWOA-HXUWFJFHSA-N 1 0 368.477 3.109 50 0 FGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-n3nc(C)cc3C)cc1)C2 ZINC000095376322 494969184 /nfs/dbraw/zinc/96/91/84/494969184.db2.gz LJXUOGPTCQJTPN-WIYYLYMNSA-N 1 0 366.509 3.436 50 0 FGAARO O=C(CN1CC[NH+](C2CC(c3ccc(F)cc3)C2)CC1)Nc1ccccc1 ZINC000095457016 494976228 /nfs/dbraw/zinc/97/62/28/494976228.db2.gz WESNNEZTMZEOIN-UHFFFAOYSA-N 1 0 367.468 3.328 50 0 FGAARO c1ccc(COc2ccc(C[NH2+]C[C@@H]3COC4(CCCC4)O3)cc2)nc1 ZINC000095459514 494977076 /nfs/dbraw/zinc/97/70/76/494977076.db2.gz KATURNBWTXSIJK-HXUWFJFHSA-N 1 0 354.450 3.436 50 0 FGAARO O=c1n(CCC[NH2+]C2CCC(c3ccccc3)CC2)nc2n1CCCC2 ZINC000095468653 494977508 /nfs/dbraw/zinc/97/75/08/494977508.db2.gz LZHCDRKCRIELIK-UHFFFAOYSA-N 1 0 354.498 3.087 50 0 FGAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc(-n2ccnc2)n1 ZINC000095465158 494977515 /nfs/dbraw/zinc/97/75/15/494977515.db2.gz BBNXDQKTAODJIF-UHFFFAOYSA-N 1 0 363.465 3.038 50 0 FGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccn1C(C)C)CC2 ZINC000095501076 494981197 /nfs/dbraw/zinc/98/11/97/494981197.db2.gz MRSSUPCMOSDFIT-UHFFFAOYSA-N 1 0 369.513 3.192 50 0 FGAARO COc1ccccc1Cc1nc(CCSC)n(C2CC[NH+](C)CC2)n1 ZINC000095504203 494982642 /nfs/dbraw/zinc/98/26/42/494982642.db2.gz JKFUWLCBYGJTIS-UHFFFAOYSA-N 1 0 360.527 3.050 50 0 FGAARO Cc1c[nH]c(CN2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)c(C)c1=O ZINC000095519921 494985195 /nfs/dbraw/zinc/98/51/95/494985195.db2.gz GKXWDJCOBPOYBG-HXUWFJFHSA-N 1 0 365.521 3.446 50 0 FGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCC2)c1 ZINC000095519501 494985862 /nfs/dbraw/zinc/98/58/62/494985862.db2.gz CRKHUYDYKGIZHD-UHFFFAOYSA-N 1 0 358.482 3.327 50 0 FGAARO Cc1ocnc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000095521348 494986018 /nfs/dbraw/zinc/98/60/18/494986018.db2.gz ILNWBPAWMYCPGV-INIZCTEOSA-N 1 0 359.445 3.149 50 0 FGAARO C[NH+](C)C1(CNC(=O)Nc2ccc(-c3cscn3)cc2)CCOCC1 ZINC000095525787 494987558 /nfs/dbraw/zinc/98/75/58/494987558.db2.gz VLFKJZOYTKRGIB-UHFFFAOYSA-N 1 0 360.483 3.042 50 0 FGAARO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000096012839 494996404 /nfs/dbraw/zinc/99/64/04/494996404.db2.gz BUCSYRWXRDNNQU-SZNDQCEHSA-N 1 0 369.465 3.017 50 0 FGAARO Cc1[nH]c2ccc(C(=O)N3CC[NH+](C4CCSCC4)CC3)cc2c1C ZINC000096133074 495003706 /nfs/dbraw/zinc/00/37/06/495003706.db2.gz BWSAVSIALXKFAJ-UHFFFAOYSA-N 1 0 357.523 3.438 50 0 FGAARO C[NH+]1CCC(Oc2ccc(NC(=O)N[C@H](CO)c3ccccc3)cc2)CC1 ZINC000096138004 495004010 /nfs/dbraw/zinc/00/40/10/495004010.db2.gz AJXPYSNYSAPZCE-HXUWFJFHSA-N 1 0 369.465 3.015 50 0 FGAARO Cc1[nH]c2ccc(C(=O)N3CCC([NH+]4CCSCC4)CC3)cc2c1C ZINC000096133058 495004059 /nfs/dbraw/zinc/00/40/59/495004059.db2.gz NBECTUGRXKBAEW-UHFFFAOYSA-N 1 0 357.523 3.438 50 0 FGAARO Cc1ccc(N(C)C)cc1NC(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000096150181 495004780 /nfs/dbraw/zinc/00/47/80/495004780.db2.gz NTNYAZRKNXMWCK-LJQANCHMSA-N 1 0 374.529 3.170 50 0 FGAARO Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(=O)[nH]c1C ZINC000096147846 495004830 /nfs/dbraw/zinc/00/48/30/495004830.db2.gz IVRCEZZWAYJZNN-LJQANCHMSA-N 1 0 371.456 3.088 50 0 FGAARO COc1ccccc1Cc1nc([C@@H]2CCC[C@H]([NH3+])C2)n(CC(F)(F)F)n1 ZINC000096151864 495004993 /nfs/dbraw/zinc/00/49/93/495004993.db2.gz DJKAANKQKAZBPX-KGLIPLIRSA-N 1 0 368.403 3.425 50 0 FGAARO COCCn1ccc2ccc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)cc21 ZINC000096343589 495010512 /nfs/dbraw/zinc/01/05/12/495010512.db2.gz VRXKASPWJOLRIR-WOJBJXKFSA-N 1 0 369.509 3.282 50 0 FGAARO O=C(/C=C\c1cnc2ccccc2n1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000096927254 495015487 /nfs/dbraw/zinc/01/54/87/495015487.db2.gz YXFILBRWLUSNKB-KHPPLWFESA-N 1 0 372.472 3.030 50 0 FGAARO COc1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)cc1Cl ZINC000097033771 495019860 /nfs/dbraw/zinc/01/98/60/495019860.db2.gz OBCFAGBLMDNGRA-ZDUSSCGKSA-N 1 0 353.871 3.301 50 0 FGAARO CN(CCC[NH+]1CCCCCC1)C(=O)CCc1nc2cc(F)ccc2[nH]1 ZINC000097505949 495037388 /nfs/dbraw/zinc/03/73/88/495037388.db2.gz WAAHFMNQWHETCV-UHFFFAOYSA-N 1 0 360.477 3.359 50 0 FGAARO Cc1ccccc1-c1ccc(NC(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000097515070 495037613 /nfs/dbraw/zinc/03/76/13/495037613.db2.gz KTRQPURCSYKCQC-GOSISDBHSA-N 1 0 367.493 3.488 50 0 FGAARO O=C(NCc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000097641782 495039840 /nfs/dbraw/zinc/03/98/40/495039840.db2.gz ZSQXLIBDCWJIAR-HNNXBMFYSA-N 1 0 370.415 3.213 50 0 FGAARO O=C(Cc1cn2ccsc2n1)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000097632034 495039975 /nfs/dbraw/zinc/03/99/75/495039975.db2.gz JKXFDWFICQGHJD-KRWDZBQOSA-N 1 0 372.469 3.031 50 0 FGAARO CN1CCN([C@H]2CC[N@H+](Cc3cccc(Oc4ccccc4)c3)C2)CC1 ZINC000097759250 495045330 /nfs/dbraw/zinc/04/53/30/495045330.db2.gz MEFCNOHKJMZRRD-FQEVSTJZSA-N 1 0 351.494 3.301 50 0 FGAARO Cc1cc2nc(C[N@@H+]3CCC[C@@H](CCc4ccccc4F)C3)cc(=O)n2[n-]1 ZINC000102468874 495137793 /nfs/dbraw/zinc/13/77/93/495137793.db2.gz PCMKYHKWVLTGFV-INIZCTEOSA-N 1 0 368.456 3.315 50 0 FGAARO CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1COc2ccccc2O1 ZINC000179632452 495669569 /nfs/dbraw/zinc/66/95/69/495669569.db2.gz LZZAWYQXJNOPEK-KRWDZBQOSA-N 1 0 350.422 3.134 50 0 FGAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)C1 ZINC000151027694 495715322 /nfs/dbraw/zinc/71/53/22/495715322.db2.gz XAERCHRTOVPREI-OAHLLOKOSA-N 1 0 369.513 3.196 50 0 FGAARO Clc1cc2ncc(N3CC[NH+](C[C@H]4CCOC4)CC3)nc2cc1Cl ZINC000181730677 496521302 /nfs/dbraw/zinc/52/13/02/496521302.db2.gz JQMVFMTUZLKYBY-GFCCVEGCSA-N 1 0 367.280 3.095 50 0 FGAARO COC(=O)C1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000170091635 496718877 /nfs/dbraw/zinc/71/88/77/496718877.db2.gz GRJNPEFJBZCTGU-HKUYNNGSSA-N 1 0 359.514 3.005 50 0 FGAARO O=S1(=O)CCCN1c1cccc(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000185288670 496724603 /nfs/dbraw/zinc/72/46/03/496724603.db2.gz VEEQPPWBVLFELS-IBGZPJMESA-N 1 0 372.490 3.230 50 0 FGAARO CCCN(C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1)C(C)C ZINC000248026287 496943933 /nfs/dbraw/zinc/94/39/33/496943933.db2.gz MFVRDTASLQAHLG-KRWDZBQOSA-N 1 0 356.514 3.432 50 0 FGAARO COc1ccc(CN(CCC2=CCCCC2)C(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000215200775 496978376 /nfs/dbraw/zinc/97/83/76/496978376.db2.gz FZNQWIHHOQZMQJ-FQEVSTJZSA-N 1 0 372.509 3.293 50 0 FGAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-c3ccc(F)cc3)c2)C1 ZINC000221258795 497018726 /nfs/dbraw/zinc/01/87/26/497018726.db2.gz GNBOTLNGRQADGL-MRXNPFEDSA-N 1 0 356.441 3.191 50 0 FGAARO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2COc3ccccc32)cc1 ZINC000248518928 497029974 /nfs/dbraw/zinc/02/99/74/497029974.db2.gz QDCZGBFGUHXABX-TXPKVOOTSA-N 1 0 359.491 3.312 50 0 FGAARO CCc1ccccc1C[N@@H+]1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000223245385 497034553 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CC(C)c1noc([C@H]2CCCCN2C(=O)CSCC[NH+]2CCCC2)n1 ZINC000243893666 497361491 /nfs/dbraw/zinc/36/14/91/497361491.db2.gz ATFBAKQDPOGFEW-OAHLLOKOSA-N 1 0 366.531 3.076 50 0 FGAARO Cc1c(NC(=O)C[N@H+](C[C@@H](O)c2ccccc2)C2CCCCC2)cnn1C ZINC000244715864 497367198 /nfs/dbraw/zinc/36/71/98/497367198.db2.gz LDSKUGBUYGHYIX-HXUWFJFHSA-N 1 0 370.497 3.035 50 0 FGAARO COc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCn1ccnc1C ZINC000244701219 497367461 /nfs/dbraw/zinc/36/74/61/497367461.db2.gz KCHKOCQYOYVGNE-QGZVFWFLSA-N 1 0 356.470 3.083 50 0 FGAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2ccccc2OCc2csc(C)n2)C1 ZINC000255507642 497368341 /nfs/dbraw/zinc/36/83/41/497368341.db2.gz ABBQGQOGDSMRHZ-XITLMJRVSA-N 1 0 371.506 3.112 50 0 FGAARO O=C(CC[N@@H+]1CCCC[C@@H]1CCN1CCCC1=O)Nc1ccccc1F ZINC000244866662 497371332 /nfs/dbraw/zinc/37/13/32/497371332.db2.gz WAGNMBPPGKYMQL-MRXNPFEDSA-N 1 0 361.461 3.021 50 0 FGAARO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@H]2CCCO2)o1 ZINC000245228663 497377749 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C[NH+]1CCN(CCOCCOc2ccc(Cl)cc2C(C)(C)C)CC1 ZINC000020118567 523903814 /nfs/dbraw/zinc/90/38/14/523903814.db2.gz OAQXNNUHACTWCA-UHFFFAOYSA-N 1 0 354.922 3.280 50 0 FGAARO COc1cccc2c1ccn2CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079193652 524251867 /nfs/dbraw/zinc/25/18/67/524251867.db2.gz URTCWOWYXLGSQJ-FUHWJXTLSA-N 1 0 355.482 3.031 50 0 FGAARO Cc1ccc(C[NH+]2CCC(Cc3nnc(CO)n3-c3ccccc3)CC2)o1 ZINC000082121118 524440741 /nfs/dbraw/zinc/44/07/41/524440741.db2.gz MUAZZCPLXUNFDE-UHFFFAOYSA-N 1 0 366.465 3.116 50 0 FGAARO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000020806452 525436045 /nfs/dbraw/zinc/43/60/45/525436045.db2.gz IMMKKTUZDDXYNS-HXUWFJFHSA-N 1 0 358.457 3.004 50 0 FGAARO CSc1ncc(C[NH2+][C@H]2CCCN(CCCc3ccccc3)C2)cn1 ZINC000020543097 526220796 /nfs/dbraw/zinc/22/07/96/526220796.db2.gz VLUGWOKWRYGQEY-IBGZPJMESA-N 1 0 356.539 3.385 50 0 FGAARO Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178566255 526296234 /nfs/dbraw/zinc/29/62/34/526296234.db2.gz KGUWARYIEWOXQL-KXPUMZMLSA-N 1 0 372.900 3.022 50 0 FGAARO O=C(CCc1cc2n(n1)CCC[N@H+](CC1CCCC1)C2)NC1CCCC1 ZINC000091526397 526582218 /nfs/dbraw/zinc/58/22/18/526582218.db2.gz MKMKFVUJHXQXQS-UHFFFAOYSA-N 1 0 358.530 3.270 50 0 FGAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1cccc(F)c1F ZINC000091694686 526645023 /nfs/dbraw/zinc/64/50/23/526645023.db2.gz HCGOMVOFSRPGMJ-UHFFFAOYSA-N 1 0 374.435 3.240 50 0 FGAARO Cc1nc(COc2ccccc2/C=C/C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cs1 ZINC000153331114 526910144 /nfs/dbraw/zinc/91/01/44/526910144.db2.gz HFJZILMSNSRHNV-JJGIJDNGSA-N 1 0 371.506 3.253 50 0 FGAARO CC[NH+]1CCC(CC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)CC1 ZINC000095387879 535444145 /nfs/dbraw/zinc/44/41/45/535444145.db2.gz WBVVRYYLYISCRX-UHFFFAOYSA-N 1 0 367.896 3.250 50 0 FGAARO COc1cccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccccc4)CC3)c21 ZINC000061925457 536924406 /nfs/dbraw/zinc/92/44/06/536924406.db2.gz XTBKNNFTFSWDSA-UHFFFAOYSA-N 1 0 373.460 3.442 50 0 FGAARO CCOc1ccc(C[N@H+](CC)Cc2cc(=O)n3nc(CC)sc3n2)cc1 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3.380 50 0 FGAARO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2ncsc2c1 ZINC000685939981 571099536 /nfs/dbraw/zinc/09/95/36/571099536.db2.gz PYHHDIJOKVWBJH-WBVHZDCISA-N 1 0 355.438 3.311 50 0 FGAARO CCC[NH+]1CCC(NC(=O)Nc2ccc(Br)nc2C)CC1 ZINC000091189484 571192452 /nfs/dbraw/zinc/19/24/52/571192452.db2.gz SDPSGEHCYCOBQG-UHFFFAOYSA-N 1 0 355.280 3.148 50 0 FGAARO CCc1oc(C(=O)NCCc2cccc(OC)c2)cc1C[NH+]1CCCC1 ZINC000426389234 571218879 /nfs/dbraw/zinc/21/88/79/571218879.db2.gz ICWUNHOYSNUQDT-UHFFFAOYSA-N 1 0 356.466 3.419 50 0 FGAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccco2)Cc2ccncc2)C1 ZINC000426403578 571220458 /nfs/dbraw/zinc/22/04/58/571220458.db2.gz SACPJXCTYZPQTM-GOSISDBHSA-N 1 0 356.470 3.117 50 0 FGAARO C[NH+](C)CCOc1ccccc1-c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000426442899 571225652 /nfs/dbraw/zinc/22/56/52/571225652.db2.gz KDFPISNRYJIMIM-IBGZPJMESA-N 1 0 368.477 3.203 50 0 FGAARO Cc1noc(C)c1CN(C)C(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000426473332 571227130 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C[NH+]1CCC(OC2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CC1 ZINC000169760695 705351114 /nfs/dbraw/zinc/35/11/14/705351114.db2.gz RCYJTQNUYHVEHJ-UHFFFAOYSA-N 1 0 354.853 3.195 50 0 FGAARO C[N@H+](CCCO)C1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000173754367 705470920 /nfs/dbraw/zinc/47/09/20/705470920.db2.gz LXSVAXLMTHCICA-UHFFFAOYSA-N 1 0 363.889 3.274 50 0 FGAARO Cc1ccc(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000187221710 712736305 /nfs/dbraw/zinc/73/63/05/712736305.db2.gz LUVGGDYGTIOSDV-IBGZPJMESA-N 1 0 359.495 3.157 50 0 FGAARO COCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000000585304 219305054 /nfs/dbraw/zinc/30/50/54/219305054.db2.gz SADNVKRDSWWFTK-UHFFFAOYSA-N 1 0 352.478 3.373 50 0 in-vitro FGAARO Cc1cc(OC[C@H](O)C[N@H+](CCO)Cc2ccccc2)cc(C)c1Cl ZINC000002941518 204068775 /nfs/dbraw/zinc/06/87/75/204068775.db2.gz UXUUMDPNURJRJX-GOSISDBHSA-N 1 0 363.885 3.191 50 0 FGAARO COc1ccccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000002934079 204069531 /nfs/dbraw/zinc/06/95/31/204069531.db2.gz PMXCHYOHHXFECK-HNNXBMFYSA-N 1 0 358.511 3.412 50 0 FGAARO COCCC[NH2+]CCOCCOc1ccc(Cl)cc1Br ZINC000003003770 204073157 /nfs/dbraw/zinc/07/31/57/204073157.db2.gz JBLNZNDTQWAJDN-UHFFFAOYSA-N 1 0 366.683 3.124 50 0 FGAARO CC(C)[N@H+](C)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000003041947 204075157 /nfs/dbraw/zinc/07/51/57/204075157.db2.gz XYGIRSIMHZBOKQ-UHFFFAOYSA-N 1 0 352.544 3.477 50 0 FGAARO C[N@@H+]1CCc2c(sc3[nH]c(=O)c4c(nc(-c5ccco5)[nH]c4=S)c23)C1 ZINC000004809805 204165976 /nfs/dbraw/zinc/16/59/76/204165976.db2.gz PSKHWSSEFJZJPS-UHFFFAOYSA-N 1 0 370.459 3.443 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000004333800 204133850 /nfs/dbraw/zinc/13/38/50/204133850.db2.gz QLAQDYCXRMLJAK-UHFFFAOYSA-N 1 0 360.461 3.267 50 0 FGAARO COc1cc(C)c(Cl)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004498619 204141863 /nfs/dbraw/zinc/14/18/63/204141863.db2.gz ZJEVXTOPJTVAAT-UHFFFAOYSA-N 1 0 374.934 3.245 50 0 FGAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)c(O)c2)N3)C1 ZINC000004556325 204146626 /nfs/dbraw/zinc/14/66/26/204146626.db2.gz HNYPYKXJCAKDEI-INIZCTEOSA-N 1 0 359.451 3.269 50 0 FGAARO CC[NH+](CC)CCNC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939333 204178597 /nfs/dbraw/zinc/17/85/97/204178597.db2.gz VHZNQFVIVMVFFA-UHFFFAOYSA-N 1 0 358.463 3.388 50 0 FGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cn2ncc3c2cccc3Cl)C1 ZINC000006768235 204267828 /nfs/dbraw/zinc/26/78/28/204267828.db2.gz JVPZZUDMBLFUPV-HUUCEWRRSA-N 1 0 362.905 3.174 50 0 FGAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000006769348 204268278 /nfs/dbraw/zinc/26/82/78/204268278.db2.gz LPSIHYJPNXQGEZ-IAGOWNOFSA-N 1 0 357.498 3.196 50 0 FGAARO COC(=O)c1ccc(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000006877176 204278619 /nfs/dbraw/zinc/27/86/19/204278619.db2.gz QKJZQGOXNDDPTQ-UHFFFAOYSA-N 1 0 359.470 3.203 50 0 FGAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cnn(-c2ccccc2)c1 ZINC000008013134 204315498 /nfs/dbraw/zinc/31/54/98/204315498.db2.gz IBRRTMFTTRYWRE-UHFFFAOYSA-N 1 0 360.461 3.398 50 0 FGAARO C[NH+](C)CCSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000008429203 204330834 /nfs/dbraw/zinc/33/08/34/204330834.db2.gz AIEPOYVTQSRTPF-UHFFFAOYSA-N 1 0 352.891 3.499 50 0 FGAARO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000008428769 204331041 /nfs/dbraw/zinc/33/10/41/204331041.db2.gz IGXCQQDIYZWPOD-APWZRJJASA-N 1 0 357.475 3.456 50 0 FGAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cnc2ccccc2n1 ZINC000008768621 204345336 /nfs/dbraw/zinc/34/53/36/204345336.db2.gz GSYIWRVGMOQSHS-IERDGZPVSA-N 1 0 358.445 3.386 50 0 FGAARO Cc1ccc2oc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)cc(=O)c2c1 ZINC000009337663 204363255 /nfs/dbraw/zinc/36/32/55/204363255.db2.gz PDKNQFGMJLPFKV-UHFFFAOYSA-N 1 0 364.445 3.353 50 0 FGAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nn1cnc2ccccc21 ZINC000010260749 204392913 /nfs/dbraw/zinc/39/29/13/204392913.db2.gz KPPMZTQEYQJMPG-UHFFFAOYSA-N 1 0 363.465 3.476 50 0 FGAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000011934758 204422215 /nfs/dbraw/zinc/42/22/15/204422215.db2.gz UNZFTJQKOPVFKN-IBGZPJMESA-N 1 0 356.470 3.255 50 0 FGAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1)N1CCCC1 ZINC000012448910 204465206 /nfs/dbraw/zinc/46/52/06/204465206.db2.gz IOHVRZHYBGCHPY-UHFFFAOYSA-N 1 0 365.477 3.361 50 0 FGAARO CCc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)OCO3)[NH+](C)C)cc1 ZINC000012803370 204498606 /nfs/dbraw/zinc/49/86/06/204498606.db2.gz GGWRJZAIHUFPDO-KRWDZBQOSA-N 1 0 355.438 3.402 50 0 FGAARO OCC[C@@H]1CN(Cc2cccc(F)c2F)CC[N@@H+]1CCc1ccccc1 ZINC000022929187 204791743 /nfs/dbraw/zinc/79/17/43/204791743.db2.gz UYDGVBPSHMIHTD-LJQANCHMSA-N 1 0 360.448 3.076 50 0 FGAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1F)C[C@@H]1CCCO1 ZINC000036031068 205001954 /nfs/dbraw/zinc/00/19/54/205001954.db2.gz RWVFZEGBTGFREU-SFTDATJTSA-N 1 0 373.468 3.384 50 0 FGAARO COCCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036095476 205003174 /nfs/dbraw/zinc/00/31/74/205003174.db2.gz KBKPBDZLMVUKDA-FQEVSTJZSA-N 1 0 361.457 3.413 50 0 FGAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000036095260 205003791 /nfs/dbraw/zinc/00/37/91/205003791.db2.gz NDXFWIOMTIWYRB-UGKGYDQZSA-N 1 0 371.477 3.116 50 0 FGAARO CC[NH+](CC)CCCNC(=O)c1nnsc1-c1ccc(Cl)cc1 ZINC000072242927 205031237 /nfs/dbraw/zinc/03/12/37/205031237.db2.gz UHLGXGKTDKXNPO-UHFFFAOYSA-N 1 0 352.891 3.320 50 0 FGAARO COc1ccc2[nH]c(CN3CC[N@H+](CC(C)C)[C@H](CCO)C3)c(C)c2c1 ZINC000038149297 205039034 /nfs/dbraw/zinc/03/90/34/205039034.db2.gz KXUCFNORMZXQHH-QGZVFWFLSA-N 1 0 359.514 3.010 50 0 FGAARO CSc1cccc(NC(=O)NC[C@@H](C[NH+](C)C)[C@H](O)c2ccccc2)c1 ZINC000040095935 205053901 /nfs/dbraw/zinc/05/39/01/205053901.db2.gz WGFJAJPCFZHCOF-QFBILLFUSA-N 1 0 373.522 3.441 50 0 FGAARO COc1ccc(CC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1F ZINC000040090768 205053991 /nfs/dbraw/zinc/05/39/91/205053991.db2.gz FFBBFWSXSVYJGT-GOSISDBHSA-N 1 0 350.478 3.250 50 0 FGAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000299739919 205115723 /nfs/dbraw/zinc/11/57/23/205115723.db2.gz SVJAQWWKXGQHIH-ZYHUDNBSSA-N 1 0 359.695 3.231 50 0 FGAARO C[NH+](C)CCc1nnc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)s1 ZINC000048187751 205153044 /nfs/dbraw/zinc/15/30/44/205153044.db2.gz MJQDCTCKTPFDEJ-INIZCTEOSA-N 1 0 373.526 3.444 50 0 FGAARO C[NH+](C)C1(CNC(=O)CCc2nc(-c3cccs3)no2)CCCCC1 ZINC000048332832 205157441 /nfs/dbraw/zinc/15/74/41/205157441.db2.gz BCALSLSYEMFSRZ-UHFFFAOYSA-N 1 0 362.499 3.111 50 0 FGAARO OC1CCC([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000048686500 205165962 /nfs/dbraw/zinc/16/59/62/205165962.db2.gz WEEAQPWAQWFPLC-UHFFFAOYSA-N 1 0 350.260 3.028 50 0 FGAARO Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)Nc3ccccc3)CC2)s1 ZINC000051098479 205180753 /nfs/dbraw/zinc/18/07/53/205180753.db2.gz UOYOCRSKOUKVBH-UHFFFAOYSA-N 1 0 371.506 3.280 50 0 FGAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CSCc2ccncc2)C1 ZINC000054227951 205199081 /nfs/dbraw/zinc/19/90/81/205199081.db2.gz KCGGXTFLMCOWCB-APWZRJJASA-N 1 0 355.507 3.267 50 0 FGAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000054991987 205205627 /nfs/dbraw/zinc/20/56/27/205205627.db2.gz PDHLQUNPOUNMNZ-RHSMWYFYSA-N 1 0 356.919 3.225 50 0 FGAARO Cc1ccc(-n2cc(C[NH+]3CCC(Cc4nncn4C)CC3)cn2)cc1C ZINC000055182971 205209228 /nfs/dbraw/zinc/20/92/28/205209228.db2.gz ZEGKTYYVPLCOQW-UHFFFAOYSA-N 1 0 364.497 3.072 50 0 FGAARO C[C@@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)c1nc2ccccc2[nH]1 ZINC000055198266 205209694 /nfs/dbraw/zinc/20/96/94/205209694.db2.gz HKIYTRJXPNOXGF-CQSZACIVSA-N 1 0 361.449 3.244 50 0 FGAARO CC(=O)N(C)Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000057170195 205234663 /nfs/dbraw/zinc/23/46/63/205234663.db2.gz HGEWMCVAVQOONF-NRFANRHFSA-N 1 0 365.477 3.268 50 0 FGAARO O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1cccs1)N1CCOCC1 ZINC000057435494 205240525 /nfs/dbraw/zinc/24/05/25/205240525.db2.gz BCBNDQQKBYCXNK-MJGOQNOKSA-N 1 0 356.491 3.485 50 0 FGAARO Cc1cccc(NC(=O)CC(=O)N2CCC([C@@H](C)[NH+]3CCCC3)CC2)c1C ZINC000055404565 205217464 /nfs/dbraw/zinc/21/74/64/205217464.db2.gz ZLMLAZDSAXEULW-GOSISDBHSA-N 1 0 371.525 3.355 50 0 FGAARO COc1ccc(CC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000058167961 205253750 /nfs/dbraw/zinc/25/37/50/205253750.db2.gz CAHNAQOHHFJRBP-UHFFFAOYSA-N 1 0 370.518 3.468 50 0 FGAARO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](CCc2ccncc2)CC1 ZINC000058003309 205247449 /nfs/dbraw/zinc/24/74/49/205247449.db2.gz HBNATRFKQDAGJI-UHFFFAOYSA-N 1 0 359.857 3.334 50 0 FGAARO Cc1ccccc1C(=O)NC1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000058440381 205276519 /nfs/dbraw/zinc/27/65/19/205276519.db2.gz IOYDQPSNJBXZOY-UHFFFAOYSA-N 1 0 358.404 3.158 50 0 FGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1cn(C)nc1-c1ccccc1 ZINC000064860973 205307863 /nfs/dbraw/zinc/30/78/63/205307863.db2.gz XDNSFISAUYKJKU-QGZVFWFLSA-N 1 0 354.498 3.010 50 0 FGAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2cnc(-c3ccco3)nc2)C[C@H]1O ZINC000065376434 205341237 /nfs/dbraw/zinc/34/12/37/205341237.db2.gz JPDWBOLVAFUXDA-HZPDHXFCSA-N 1 0 355.463 3.457 50 0 FGAARO Cc1ccc([C@H](C)NC(=O)C[NH2+]Cc2ccc(C(F)(F)F)nc2)cc1 ZINC000065384455 205342553 /nfs/dbraw/zinc/34/25/53/205342553.db2.gz PUMXHNXGPDSOOQ-ZDUSSCGKSA-N 1 0 351.372 3.376 50 0 FGAARO COc1ccccc1/C=C/C[N@@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000065396487 205344394 /nfs/dbraw/zinc/34/43/94/205344394.db2.gz QMTZNPYZFRSTGM-DPCDFWGDSA-N 1 0 367.445 3.288 50 0 FGAARO CCn1ncnc1NC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000065393496 205344975 /nfs/dbraw/zinc/34/49/75/205344975.db2.gz QZZOYYJYKHDVMM-HNNXBMFYSA-N 1 0 364.453 3.138 50 0 FGAARO COc1cccc([C@@H]2CC[N@H+](Cc3ccc(NC(C)=O)cc3)C[C@H]2O)c1 ZINC000065405330 205346874 /nfs/dbraw/zinc/34/68/74/205346874.db2.gz RIOWVISSRNRYSU-LEWJYISDSA-N 1 0 354.450 3.004 50 0 FGAARO CC(C)[NH+]1CCC(CN2CCc3nc[nH]c3[C@@H]2c2cccc(O)c2)CC1 ZINC000067431755 205371743 /nfs/dbraw/zinc/37/17/43/205371743.db2.gz NLKMZZWVLXXJAL-NRFANRHFSA-N 1 0 354.498 3.183 50 0 FGAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000067513547 205374921 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CC(C)[C@@H]1CN(C(=O)c2nn(C)c3ccccc32)CCC[N@@H+]1CC1CC1 ZINC000071748956 205437286 /nfs/dbraw/zinc/43/72/86/205437286.db2.gz VGECGFSTTPBKDC-IBGZPJMESA-N 1 0 354.498 3.156 50 0 FGAARO CC(C)c1cc(C(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)cs1 ZINC000072170311 205496741 /nfs/dbraw/zinc/49/67/41/205496741.db2.gz RDHFAZGEVJKJJC-MOPGFXCFSA-N 1 0 370.518 3.338 50 0 FGAARO Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCCC[C@@H]1CC[NH+](C)C ZINC000072424798 205541115 /nfs/dbraw/zinc/54/11/15/205541115.db2.gz PNZNDJDIROUQCK-SNVBAGLBSA-N 1 0 366.815 3.039 50 0 FGAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)n1 ZINC000091713028 205688945 /nfs/dbraw/zinc/68/89/45/205688945.db2.gz PVVLFUKKEQCRLL-NRFANRHFSA-N 1 0 370.472 3.073 50 0 FGAARO CC(=O)c1ccc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)s1 ZINC000095517756 205779817 /nfs/dbraw/zinc/77/98/17/205779817.db2.gz RJHWGKYSNGTBFE-DLBZAZTESA-N 1 0 356.491 3.429 50 0 FGAARO CC(C)(C)c1ccc(OCc2nc([C@@H]3CCC[C@H]([NH3+])C3)n(CCO)n2)cc1 ZINC000097635007 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C[NH+](C)C[C@]1(CO)CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000219300634 206381975 /nfs/dbraw/zinc/38/19/75/206381975.db2.gz IOGFFRZWSDSONQ-JOCHJYFZSA-N 1 0 368.477 3.255 50 0 FGAARO CCn1ncnc1CN1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000216379357 206358687 /nfs/dbraw/zinc/35/86/87/206358687.db2.gz SDGYEIHNLVSNIC-LJQANCHMSA-N 1 0 359.493 3.170 50 0 FGAARO COc1ccc(CCC(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023016582 206397307 /nfs/dbraw/zinc/39/73/07/206397307.db2.gz IKLWHDOPXIHADV-UHFFFAOYSA-N 1 0 356.466 3.249 50 0 FGAARO Cc1cc(N2CCN(C(=O)c3conc3-c3ccccc3)CC2)cc(C)[nH+]1 ZINC000082126448 132196477 /nfs/dbraw/zinc/19/64/77/132196477.db2.gz SNTFSZZOWPQVDW-UHFFFAOYSA-N 1 0 362.433 3.316 50 0 FGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2ccc3c(n2)CCCC3)C1 ZINC000095354476 132207175 /nfs/dbraw/zinc/20/71/75/132207175.db2.gz XLVDXHIZIDISPJ-LJQANCHMSA-N 1 0 367.541 3.493 50 0 FGAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)Cc1cnc(N2CCCCC2)nc1 ZINC000215336960 132269841 /nfs/dbraw/zinc/26/98/41/132269841.db2.gz 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CC1CC[NH+](CCCNC(=O)c2noc3c2COc2ccccc2-3)CC1 ZINC000033028802 494036793 /nfs/dbraw/zinc/03/67/93/494036793.db2.gz NVDQLWNGZHKKAD-UHFFFAOYSA-N 1 0 355.438 3.086 50 0 FGAARO Cc1ccc(C)c(CC(=O)N(Cc2cccnc2)C2CC[NH+](C)CC2)c1 ZINC000077302899 494051564 /nfs/dbraw/zinc/05/15/64/494051564.db2.gz DFEFSRAJAGBFFV-UHFFFAOYSA-N 1 0 351.494 3.364 50 0 FGAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCc1nc2ccccc2[nH]1 ZINC000077301973 494051789 /nfs/dbraw/zinc/05/17/89/494051789.db2.gz PZMDJVNPBDNXOX-SFHVURJKSA-N 1 0 362.477 3.011 50 0 FGAARO CCCOc1ccc(-c2nc(C(=O)NCC[NH+](C)C)cs2)c(F)c1 ZINC000034713617 494068117 /nfs/dbraw/zinc/06/81/17/494068117.db2.gz SCDLJJZUIAHLTM-UHFFFAOYSA-N 1 0 351.447 3.029 50 0 FGAARO CC1CC[NH+](CCCNC(=O)c2nn(C)c3c2CCc2sccc2-3)CC1 ZINC000035504916 494078525 /nfs/dbraw/zinc/07/85/25/494078525.db2.gz FIIOCFYUSWXZCT-UHFFFAOYSA-N 1 0 372.538 3.099 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3cccc4cnccc43)cnn2c1 ZINC000071278875 494090216 /nfs/dbraw/zinc/09/02/16/494090216.db2.gz 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Cc1cc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)c(C)o1 ZINC000095371592 494967394 /nfs/dbraw/zinc/96/73/94/494967394.db2.gz GIFDVRWHUJSLDR-UHFFFAOYSA-N 1 0 358.486 3.064 50 0 FGAARO CCc1ccccc1NC(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000095379505 494970184 /nfs/dbraw/zinc/97/01/84/494970184.db2.gz CCLXIFRKCJVSHH-SFHVURJKSA-N 1 0 369.513 3.419 50 0 FGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1OCCOCC)C2 ZINC000095384221 494971167 /nfs/dbraw/zinc/97/11/67/494971167.db2.gz CWRZXULHWDQCMY-QZTJIDSGSA-N 1 0 360.498 3.048 50 0 FGAARO CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)CCC[NH+]1CCCCC1 ZINC000095389006 494973308 /nfs/dbraw/zinc/97/33/08/494973308.db2.gz FOWXBTYUUHCLKY-UHFFFAOYSA-N 1 0 362.905 3.483 50 0 FGAARO CN(Cc1ccc2nsnc2c1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095392232 494973757 /nfs/dbraw/zinc/97/37/57/494973757.db2.gz AALHRDGUNKJEEY-QGZVFWFLSA-N 1 0 366.490 3.431 50 0 FGAARO FC(F)Oc1ccc(C[N@H+](CCN2CCOCC2)C2CCCC2)cc1 ZINC000095446688 494975016 /nfs/dbraw/zinc/97/50/16/494975016.db2.gz 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CC[NH+](CC)Cc1ccc(CNC(=O)Nn2cnc3ccccc32)cc1 ZINC000010405076 204396119 /nfs/dbraw/zinc/39/61/19/204396119.db2.gz POZDPJWRYZAFRF-UHFFFAOYSA-N 1 0 351.454 3.331 50 0 FGAARO CC(C)[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000012382484 204457214 /nfs/dbraw/zinc/45/72/14/204457214.db2.gz DBUTWGNWNRQZSE-ZDUSSCGKSA-N 1 0 369.303 3.205 50 0 FGAARO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000025938355 204844243 /nfs/dbraw/zinc/84/42/43/204844243.db2.gz GZJPIOAAPUOICF-FQEVSTJZSA-N 1 0 365.477 3.383 50 0 FGAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1 ZINC000040023375 204875799 /nfs/dbraw/zinc/87/57/99/204875799.db2.gz GSHQMDIUVYCEOY-KKSFZXQISA-N 1 0 368.477 3.373 50 0 FGAARO COCCC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COCc1ccccc1 ZINC000036095206 205004207 /nfs/dbraw/zinc/00/42/07/205004207.db2.gz MHCSPZXZGDDYSI-NRFANRHFSA-N 1 0 373.493 3.111 50 0 FGAARO COc1ccc2[nH]c(CN3CC[N@H+](CC=C(C)C)[C@H](CCO)C3)c(C)c2c1 ZINC000036379391 205013188 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C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2Br)C1 ZINC000299738945 205116748 /nfs/dbraw/zinc/11/67/48/205116748.db2.gz ISCYYBYTBCMJLZ-ZIAGYGMSSA-N 1 0 353.304 3.401 50 0 FGAARO C[C@@H]1C[C@@H](C)C[NH+](CCn2cnc3c(cccc3C(F)(F)F)c2=O)C1 ZINC000043102890 205100958 /nfs/dbraw/zinc/10/09/58/205100958.db2.gz NFZODPDONFRQKQ-CHWSQXEVSA-N 1 0 353.388 3.393 50 0 FGAARO O=C(Nc1cccc2ccccc21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047324772 205145425 /nfs/dbraw/zinc/14/54/25/205145425.db2.gz JXSXMYCAEZYBHD-UHFFFAOYSA-N 1 0 353.466 3.416 50 0 FGAARO CC[C@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000047284888 205145912 /nfs/dbraw/zinc/14/59/12/205145912.db2.gz GFJXOZUCOIAXAF-QFIPXVFZSA-N 1 0 365.521 3.244 50 0 FGAARO O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000047481811 205146460 /nfs/dbraw/zinc/14/64/60/205146460.db2.gz FECJSNNQRGIMKD-UHFFFAOYSA-N 1 0 370.497 3.015 50 0 FGAARO Cc1noc(C)c1C[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000047936595 205150731 /nfs/dbraw/zinc/15/07/31/205150731.db2.gz CQETVHALTXOMFH-UHFFFAOYSA-N 1 0 359.445 3.001 50 0 FGAARO CCCc1cn(C2CC[NH+](C3CCN(Cc4ccco4)CC3)CC2)nn1 ZINC000048155843 205151998 /nfs/dbraw/zinc/15/19/98/205151998.db2.gz JFMNQIPRQSINTE-UHFFFAOYSA-N 1 0 357.502 3.125 50 0 FGAARO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)N1CCC(C)CC1 ZINC000048324792 205158029 /nfs/dbraw/zinc/15/80/29/205158029.db2.gz ZVAIJIPRTFRDEI-UHFFFAOYSA-N 1 0 373.607 3.374 50 0 FGAARO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O)[NH+](C)C ZINC000048375366 205162385 /nfs/dbraw/zinc/16/23/85/205162385.db2.gz OZUUEWQTHBSNNE-HNNXBMFYSA-N 1 0 367.342 3.341 50 0 FGAARO CC(C)[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccc2c(c1)OCCCO2 ZINC000049587060 205174037 /nfs/dbraw/zinc/17/40/37/205174037.db2.gz PVMASAAEYXCPFG-FQEVSTJZSA-N 1 0 358.438 3.044 50 0 FGAARO CCCCOc1ccc([C@@H](C)NC(=O)N[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000052551222 205185080 /nfs/dbraw/zinc/18/50/80/205185080.db2.gz BVENCQTZPJEZLM-WBVHZDCISA-N 1 0 363.502 3.329 50 0 FGAARO O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000055088467 205207256 /nfs/dbraw/zinc/20/72/56/205207256.db2.gz ZJSYEKLSNLMADM-UHFFFAOYSA-N 1 0 360.542 3.041 50 0 FGAARO C[C@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)c1cn2ccsc2n1 ZINC000055307749 205215490 /nfs/dbraw/zinc/21/54/90/205215490.db2.gz YAMQBSLQHRNSHW-ZDUSSCGKSA-N 1 0 367.478 3.077 50 0 FGAARO COc1cccc(NC(=O)c2cccc(NC(=O)[C@@H](C)[NH+]3CCCC3)c2)c1 ZINC000055342952 205216382 /nfs/dbraw/zinc/21/63/82/205216382.db2.gz FPEJHINNYHNJPD-OAHLLOKOSA-N 1 0 367.449 3.370 50 0 FGAARO C[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1F ZINC000056422204 205231174 /nfs/dbraw/zinc/23/11/74/205231174.db2.gz PIRHSOQCNHRFSU-HNNXBMFYSA-N 1 0 356.445 3.246 50 0 FGAARO CN(C)C(=O)c1cccc(C[N@@H+]2CCC[C@H](C(=O)NC3CCCCC3)C2)c1 ZINC000058182001 205256157 /nfs/dbraw/zinc/25/61/57/205256157.db2.gz MJOJDPWDPYQPPN-IBGZPJMESA-N 1 0 371.525 3.049 50 0 FGAARO CC(C)(C)n1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cn1 ZINC000058218636 205263259 /nfs/dbraw/zinc/26/32/59/205263259.db2.gz AQBKSRAOVVNXHE-UHFFFAOYSA-N 1 0 358.511 3.439 50 0 FGAARO COCc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058218177 205263445 /nfs/dbraw/zinc/26/34/45/205263445.db2.gz ISIGDJUZDGYMNG-IBGZPJMESA-N 1 0 352.478 3.475 50 0 FGAARO Cc1nn(C)c2nc(C)cc(C(=O)N3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)c12 ZINC000058299672 205269888 /nfs/dbraw/zinc/26/98/88/205269888.db2.gz CYWLBZLGMAUVBX-HLLBOEOZSA-N 1 0 369.513 3.063 50 0 FGAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCCc2ccccc21 ZINC000059818114 205283596 /nfs/dbraw/zinc/28/35/96/205283596.db2.gz ACHIICLEPWZRMF-KDOFPFPSSA-N 1 0 352.434 3.087 50 0 FGAARO Fc1ccc(C[N@@H+]2CCCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000063993796 205297822 /nfs/dbraw/zinc/29/78/22/205297822.db2.gz FMPXISLWSMHOEO-UHFFFAOYSA-N 1 0 356.441 3.305 50 0 FGAARO COc1ccc(NC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)cc1 ZINC000065255103 205330304 /nfs/dbraw/zinc/33/03/04/205330304.db2.gz LUHXJLOUHBAKSA-UHFFFAOYSA-N 1 0 364.449 3.393 50 0 FGAARO O=C(NCc1cccc(F)c1)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255121 205331432 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C[NH+](C)[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000065532514 205358424 /nfs/dbraw/zinc/35/84/24/205358424.db2.gz MLGYXQNMBZVPAX-KRWDZBQOSA-N 1 0 374.510 3.009 50 0 FGAARO Cc1cccc(C(C)C)c1NC(=O)C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000065387424 205345809 /nfs/dbraw/zinc/34/58/09/205345809.db2.gz IRAFSBDYNMANBO-MRXNPFEDSA-N 1 0 354.450 3.487 50 0 FGAARO O[C@@H]1C[N@H+](Cc2ccccc2Cn2cccn2)CC[C@H]1c1ccc(F)cc1 ZINC000065397730 205347234 /nfs/dbraw/zinc/34/72/34/205347234.db2.gz XXAKSPGOMSVMMS-FCHUYYIVSA-N 1 0 365.452 3.421 50 0 FGAARO CC(C)[NH+]1CCC(C(=O)N[C@H](C)c2cnn(-c3ccccc3F)c2)CC1 ZINC000065417333 205347697 /nfs/dbraw/zinc/34/76/97/205347697.db2.gz OSRIESRDBVHDOA-OAHLLOKOSA-N 1 0 358.461 3.309 50 0 FGAARO Cc1cc(C)nc(NC(=O)c2cccc(C[N@@H+](C)CC3(C)COC3)c2)c1 ZINC000065421075 205348167 /nfs/dbraw/zinc/34/81/67/205348167.db2.gz CMSHRHAIELOOGB-UHFFFAOYSA-N 1 0 353.466 3.419 50 0 FGAARO CC1(C)C[C@@](CCNc2ncnc3c2CC[NH2+]C3)(c2ccccc2)CCO1 ZINC000067678406 205381702 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FGAARO CCC[NH+]1CCC(Cc2noc([C@@H]3CCC(=O)N(C4CCCC4)C3)n2)CC1 ZINC000091769929 205693346 /nfs/dbraw/zinc/69/33/46/205693346.db2.gz OWBARIRAAOQMBP-QGZVFWFLSA-N 1 0 374.529 3.383 50 0 FGAARO COc1ccc([C@H]2CN(C(=O)CCc3c[nH]c4ccccc34)C[C@@H]2[NH3+])cc1 ZINC000091779840 205694128 /nfs/dbraw/zinc/69/41/28/205694128.db2.gz AAVJJIIYGHMDLS-UXHICEINSA-N 1 0 363.461 3.062 50 0 FGAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)[C@@H]1CCCCO1 ZINC000095501020 205769244 /nfs/dbraw/zinc/76/92/44/205769244.db2.gz BQGHNKVNMAAEMX-FQEVSTJZSA-N 1 0 362.489 3.108 50 0 FGAARO C[C@H]([NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCOC1 ZINC000095941386 205795537 /nfs/dbraw/zinc/79/55/37/205795537.db2.gz KTDNPCKTWPAPEB-DZGCQCFKSA-N 1 0 362.857 3.231 50 0 FGAARO COc1ccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)cc1Cl ZINC000097033772 205894160 /nfs/dbraw/zinc/89/41/60/205894160.db2.gz OBCFAGBLMDNGRA-CYBMUJFWSA-N 1 0 353.871 3.301 50 0 FGAARO O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000047032945 206079901 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Cc1cccc(N2CC[NH+](CCC(=O)N(C)Cc3ccsc3)CC2)c1 ZINC000095352148 132206874 /nfs/dbraw/zinc/20/68/74/132206874.db2.gz RTSNFIBICSYINB-UHFFFAOYSA-N 1 0 357.523 3.227 50 0 FGAARO CSc1nccc(N2CCC([NH2+][C@H](CO)CC3CCCCC3)CC2)n1 ZINC000095384983 132209708 /nfs/dbraw/zinc/20/97/08/132209708.db2.gz CNIAEDNOZGJRJG-KRWDZBQOSA-N 1 0 364.559 3.088 50 0 FGAARO CCCc1cc(N2CCC([NH2+]CCNc3cc(C)ccn3)CC2)nc(C)n1 ZINC000096140608 132220492 /nfs/dbraw/zinc/22/04/92/132220492.db2.gz MWUHVXJJAMKURH-UHFFFAOYSA-N 1 0 368.529 3.111 50 0 FGAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000007268355 132259061 /nfs/dbraw/zinc/25/90/61/132259061.db2.gz AVFCAQITTHGPOR-UHFFFAOYSA-N 1 0 369.465 3.098 50 0 FGAARO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+]1CCCCCC1 ZINC000008717447 132260023 /nfs/dbraw/zinc/26/00/23/132260023.db2.gz FURXNJMXTLTREU-UHFFFAOYSA-N 1 0 355.482 3.461 50 0 FGAARO Cc1cc(N2CCn3nc(CNc4ncccn4)cc3C2)c2ccccc2[nH+]1 ZINC000299757254 132297859 /nfs/dbraw/zinc/29/78/59/132297859.db2.gz 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ZINC000012545295 136151565 /nfs/dbraw/zinc/15/15/65/136151565.db2.gz OFTKQZUWWIDDAR-UHFFFAOYSA-N 1 0 355.457 3.457 50 0 FGAARO OCC[C@H]1CN(Cc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000019781649 263376655 /nfs/dbraw/zinc/37/66/55/263376655.db2.gz MOQFWIFJTCAPIJ-QFIPXVFZSA-N 1 0 361.489 3.304 50 0 FGAARO C[C@@H]1CN(C/C=C/[C@@H]2CCCN2C(=O)OCc2ccccc2)C[C@@H](C)O1 ZINC000020445278 263380440 /nfs/dbraw/zinc/38/04/40/263380440.db2.gz NRNDWLWGGKQKAO-FIQLICGVSA-N 1 0 358.482 3.453 50 0 FGAARO CC[C@H]1CSC2=[N+](c3ccccc3)[C@](O)(c3ccc(OC)cc3)CN21 ZINC000000623119 493765753 /nfs/dbraw/zinc/76/57/53/493765753.db2.gz VDLHZCBRDNQXIK-OXJNMPFZSA-N 1 0 355.483 3.254 50 0 FGAARO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000000757784 493771321 /nfs/dbraw/zinc/77/13/21/493771321.db2.gz ZWRJMYNZLHVJCQ-OAQYLSRUSA-N 1 0 371.569 3.274 50 0 FGAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)COc1ccc(Br)cc1 ZINC000000787295 493772580 /nfs/dbraw/zinc/77/25/80/493772580.db2.gz RXAVZZWUJPHUKV-ZDUSSCGKSA-N 1 0 356.260 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O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000032903332 494025668 /nfs/dbraw/zinc/02/56/68/494025668.db2.gz OWXQIDXXBSGJAE-UHFFFAOYSA-N 1 0 360.461 3.425 50 0 FGAARO Cc1cc(C)cc(S(=O)(=O)N2CCC(C[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000032952051 494031557 /nfs/dbraw/zinc/03/15/57/494031557.db2.gz ANVPHRLLXUSDBT-MRXNPFEDSA-N 1 0 364.555 3.436 50 0 FGAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](C[C@@H]2CCCCO2)CC3)c1 ZINC000077376155 494070026 /nfs/dbraw/zinc/07/00/26/494070026.db2.gz XQPPNXIUDQLPCF-FQEVSTJZSA-N 1 0 372.509 3.079 50 0 FGAARO Cn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000077378097 494070157 /nfs/dbraw/zinc/07/01/57/494070157.db2.gz ZQXYZKBNLMQCOP-UHFFFAOYSA-N 1 0 373.932 3.444 50 0 FGAARO c1cn(Cc2ccc(N3CCC[N@@H+](C4Cc5ccccc5C4)CC3)nc2)cn1 ZINC000077420805 494079756 /nfs/dbraw/zinc/07/97/56/494079756.db2.gz PXIJDWNZKFGQQE-UHFFFAOYSA-N 1 0 373.504 3.006 50 0 FGAARO CCc1nc2c(ncnc2N2CCC[N@H+](Cc3ccccc3F)CC2)o1 ZINC000077453667 494085941 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3.421 50 0 FGAARO CC(C)(CNC(=O)NCc1ccc(NC(=O)C2CC2)cc1)[NH+]1CCCCC1 ZINC000012898224 494267841 /nfs/dbraw/zinc/26/78/41/494267841.db2.gz SHLHIBDWYJMNEH-UHFFFAOYSA-N 1 0 372.513 3.099 50 0 FGAARO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000012884959 494268185 /nfs/dbraw/zinc/26/81/85/494268185.db2.gz NMWGNUCHBWNEJY-INIZCTEOSA-N 1 0 353.466 3.458 50 0 FGAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C[C@H](C)O1 ZINC000012930011 494271308 /nfs/dbraw/zinc/27/13/08/494271308.db2.gz ZVTXJEGVOKYFCV-IYBDPMFKSA-N 1 0 369.509 3.276 50 0 FGAARO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(SC)cc1 ZINC000013669395 494292514 /nfs/dbraw/zinc/29/25/14/494292514.db2.gz VCPYKOREBYZXNO-HNNXBMFYSA-N 1 0 356.557 3.341 50 0 FGAARO C[C@@H]1SCC[N@H+](CCn2c(=O)oc3cccnc32)[C@H]1c1ccccc1 ZINC000089428276 494304983 /nfs/dbraw/zinc/30/49/83/494304983.db2.gz JGRLNJXGELFJKJ-WMLDXEAASA-N 1 0 355.463 3.168 50 0 FGAARO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000014200945 494310048 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CC[C@H](C)[N@H+](CCNC(=O)Cc1noc2ccccc21)Cc1ccco1 ZINC000015675053 494364890 /nfs/dbraw/zinc/36/48/90/494364890.db2.gz OSZKGQHXZJBPEK-HNNXBMFYSA-N 1 0 355.438 3.380 50 0 FGAARO Cc1nc(-c2ccccc2)oc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000073457478 494373631 /nfs/dbraw/zinc/37/36/31/494373631.db2.gz DCJKWTKNWRTRGG-UHFFFAOYSA-N 1 0 364.449 3.249 50 0 FGAARO C[C@H]1C[NH+](CCCCNc2nn3cc(C(C)(C)C)nc3s2)C[C@H](C)O1 ZINC000079063640 494398208 /nfs/dbraw/zinc/39/82/08/494398208.db2.gz CAKZVZZGLGSPDN-KBPBESRZSA-N 1 0 365.547 3.390 50 0 FGAARO O=C(C[NH2+]CCOc1ccccc1F)N[C@@H](c1ccco1)c1ccccc1 ZINC000016695451 494399924 /nfs/dbraw/zinc/39/99/24/494399924.db2.gz DYJJHJQMCGYIPY-OAQYLSRUSA-N 1 0 368.408 3.293 50 0 FGAARO Cc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)c2c1 ZINC000018244398 494430981 /nfs/dbraw/zinc/43/09/81/494430981.db2.gz XTGWWEOWJBKKCO-LJQANCHMSA-N 1 0 365.408 3.080 50 0 FGAARO COc1cc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc(OC)c1OC ZINC000019359202 494443666 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CCCC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](CC)CC1)n2C(C)C ZINC000020581705 494477220 /nfs/dbraw/zinc/47/72/20/494477220.db2.gz FAKYQBZTAIMARC-UHFFFAOYSA-N 1 0 371.529 3.493 50 0 FGAARO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[NH+](C)CC2)cc1 ZINC000020680326 494479012 /nfs/dbraw/zinc/47/90/12/494479012.db2.gz VCQAGTDIFJPFPX-UHFFFAOYSA-N 1 0 362.477 3.295 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CNc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000020662068 494479649 /nfs/dbraw/zinc/47/96/49/494479649.db2.gz UILVTVFGASFKBF-HNNXBMFYSA-N 1 0 356.861 3.365 50 0 FGAARO COc1cccc(-c2noc(N3CCC([NH+]4CCCCC4)CC3)n2)c1OC ZINC000021630796 494501352 /nfs/dbraw/zinc/50/13/52/494501352.db2.gz WIFZIEXRFTYLPP-UHFFFAOYSA-N 1 0 372.469 3.209 50 0 FGAARO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000022191496 494516412 /nfs/dbraw/zinc/51/64/12/494516412.db2.gz IWXWRZHXAMFJHU-MRXNPFEDSA-N 1 0 356.297 3.351 50 0 FGAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000022348497 494520480 /nfs/dbraw/zinc/52/04/80/494520480.db2.gz BKQRYDBIGDPNAG-CQSZACIVSA-N 1 0 373.453 3.311 50 0 FGAARO CCCCC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](CC)CC1)n2CC ZINC000022936158 494543076 /nfs/dbraw/zinc/54/30/76/494543076.db2.gz WZBCXNFBRMSITE-UHFFFAOYSA-N 1 0 371.529 3.322 50 0 FGAARO CCc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)s1 ZINC000023127683 494551371 /nfs/dbraw/zinc/55/13/71/494551371.db2.gz WJTBWLXAAMXKTE-UHFFFAOYSA-N 1 0 368.524 3.094 50 0 FGAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000023361134 494561929 /nfs/dbraw/zinc/56/19/29/494561929.db2.gz QIPUWKFKYZVUBH-NRFANRHFSA-N 1 0 365.521 3.482 50 0 FGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccc(O)c(Cl)c2)C[C@@H]1CCO ZINC000023375525 494562998 /nfs/dbraw/zinc/56/29/98/494562998.db2.gz HVZNYTLQXUAJNZ-IBGZPJMESA-N 1 0 374.912 3.423 50 0 FGAARO Cn1cc(-c2ccnc(NCC[N@@H+]3CCC[C@@H](c4ccccc4)C3)n2)cn1 ZINC000023478254 494568111 /nfs/dbraw/zinc/56/81/11/494568111.db2.gz VNNSKBYNFPZVHH-GOSISDBHSA-N 1 0 362.481 3.169 50 0 FGAARO Cc1c(Cl)cccc1C(=O)N1CCC(c2nccn2CC[NH+](C)C)CC1 ZINC000091270491 494577019 /nfs/dbraw/zinc/57/70/19/494577019.db2.gz OXYCZLDNSWDUEL-UHFFFAOYSA-N 1 0 374.916 3.426 50 0 FGAARO Nc1nc(Cl)cc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000024056797 494603082 /nfs/dbraw/zinc/60/30/82/494603082.db2.gz CHRQJFSVFIGLDB-UHFFFAOYSA-N 1 0 352.269 3.078 50 0 FGAARO Cc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccccc2O)n[nH]1)[NH+](C)C ZINC000091746246 494664586 /nfs/dbraw/zinc/66/45/86/494664586.db2.gz OPGTVPODYRHXFG-LJQANCHMSA-N 1 0 364.449 3.123 50 0 FGAARO Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)cc1 ZINC000067883607 494678770 /nfs/dbraw/zinc/67/87/70/494678770.db2.gz GORHKTSHVISOOV-QHCPKHFHSA-N 1 0 366.505 3.071 50 0 FGAARO COc1cccc(N2CC[C@@H](C[NH2+]Cc3c(C)nc4ccccn43)C2)c1 ZINC000075093179 494687143 /nfs/dbraw/zinc/68/71/43/494687143.db2.gz PBYIQPAQRMWYKU-KRWDZBQOSA-N 1 0 350.466 3.267 50 0 FGAARO COc1ccc([C@H](CNC(=O)NCc2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000025046616 494694242 /nfs/dbraw/zinc/69/42/42/494694242.db2.gz OEZSBLOJYQHAGQ-FQEVSTJZSA-N 1 0 371.456 3.471 50 0 FGAARO CC(C)[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1NC(=O)N(C)C ZINC000091860120 494706581 /nfs/dbraw/zinc/70/65/81/494706581.db2.gz UVYQPNQZMTVDRM-GOEBONIOSA-N 1 0 357.420 3.433 50 0 FGAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@H+](C)Cc3ccoc3)C2=O)cc1 ZINC000067966358 494712976 /nfs/dbraw/zinc/71/29/76/494712976.db2.gz XSUDHUIXIRBDRV-JOCHJYFZSA-N 1 0 370.493 3.389 50 0 FGAARO CSc1nc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)cs1 ZINC000091893040 494715927 /nfs/dbraw/zinc/71/59/27/494715927.db2.gz ZIKPDRBVAOIAKX-ZIAGYGMSSA-N 1 0 351.541 3.368 50 0 FGAARO COc1c(F)cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)cc1F ZINC000091986575 494744413 /nfs/dbraw/zinc/74/44/13/494744413.db2.gz ZTGSSJTZFDRXGU-FUHWJXTLSA-N 1 0 373.447 3.465 50 0 FGAARO Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)C2(C)CC[NH2+]CC2)c1C ZINC000092028373 494760199 /nfs/dbraw/zinc/76/01/99/494760199.db2.gz OVDSJYOULWZBNW-GOSISDBHSA-N 1 0 366.509 3.372 50 0 FGAARO O=C(CSc1ccncc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000092037287 494763502 /nfs/dbraw/zinc/76/35/02/494763502.db2.gz KYTNWYJGWDUUKE-RTBURBONSA-N 1 0 367.518 3.297 50 0 FGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc(C)nc1-c1ccccc1)C2 ZINC000092038869 494763567 /nfs/dbraw/zinc/76/35/67/494763567.db2.gz QVDMBAMLEFOAFO-IEBWSBKVSA-N 1 0 364.493 3.398 50 0 FGAARO Cc1cnc(CN2C[C@]3(CCC[N@H+](Cc4ccccc4)C3)CCC2=O)cn1 ZINC000092062503 494774510 /nfs/dbraw/zinc/77/45/10/494774510.db2.gz INVPYYWJTDCBQH-JOCHJYFZSA-N 1 0 364.493 3.190 50 0 FGAARO Cc1cc(C)c(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000026832945 494840185 /nfs/dbraw/zinc/84/01/85/494840185.db2.gz WTWDZGWKTFCDEZ-UHFFFAOYSA-N 1 0 372.534 3.339 50 0 FGAARO COc1cc[nH+]c(N2CCN(C(=O)c3cc4c(ccc(C)c4C)[nH]3)CC2)c1 ZINC000116752206 494847678 /nfs/dbraw/zinc/84/76/78/494847678.db2.gz ILFPFZNGCQQFJD-UHFFFAOYSA-N 1 0 364.449 3.151 50 0 FGAARO C[C@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)N1CCOCC1 ZINC000027219460 494857536 /nfs/dbraw/zinc/85/75/36/494857536.db2.gz CASDBGNICXFDOW-CQSZACIVSA-N 1 0 357.479 3.367 50 0 FGAARO COc1ccccc1[C@H](CNC(=O)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000027570662 494874727 /nfs/dbraw/zinc/87/47/27/494874727.db2.gz JFIANGOXSSCUOZ-FQEVSTJZSA-N 1 0 367.493 3.328 50 0 FGAARO COc1ccccc1OCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027604613 494877046 /nfs/dbraw/zinc/87/70/46/494877046.db2.gz TYJSRXOOPBMNLL-OAHLLOKOSA-N 1 0 360.479 3.089 50 0 FGAARO COc1ccc(CC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793096 494885185 /nfs/dbraw/zinc/88/51/85/494885185.db2.gz NGHWYPYOKUVHHZ-OAQYLSRUSA-N 1 0 352.478 3.499 50 0 FGAARO Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000027793209 494885236 /nfs/dbraw/zinc/88/52/36/494885236.db2.gz XTOVYJMJVBBSAK-FQEVSTJZSA-N 1 0 356.441 3.466 50 0 FGAARO CC[C@@H](CO)[N@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101103 494960800 /nfs/dbraw/zinc/96/08/00/494960800.db2.gz XKZMYDQOHMBSFL-NRFANRHFSA-N 1 0 357.494 3.263 50 0 FGAARO CC(C)c1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)n(C)n1 ZINC000095354545 494961328 /nfs/dbraw/zinc/96/13/28/494961328.db2.gz JJCBTRIVMRTXKT-RTBURBONSA-N 1 0 366.509 3.280 50 0 FGAARO Cc1c(C[N@@H+]2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)cnn1C ZINC000095361160 494963246 /nfs/dbraw/zinc/96/32/46/494963246.db2.gz BHPNXGHODGIZDA-IOMROCGXSA-N 1 0 372.463 3.069 50 0 FGAARO COc1ccnc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)c1 ZINC000095359138 494963362 /nfs/dbraw/zinc/96/33/62/494963362.db2.gz HDAQEQBBJJICNK-FQEVSTJZSA-N 1 0 365.477 3.071 50 0 FGAARO Cc1ccc([C@@H]2CN(C(=O)c3ccncc3F)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095364278 494964293 /nfs/dbraw/zinc/96/42/93/494964293.db2.gz VUVITAPPNKUMBH-CEWLAPEOSA-N 1 0 365.452 3.232 50 0 FGAARO COc1ccc([C@H](NC(=O)C2CC[NH+](C(C)C)CC2)c2ccncc2)cc1 ZINC000095363027 494964432 /nfs/dbraw/zinc/96/44/32/494964432.db2.gz PRPWXQYIZVIJKC-NRFANRHFSA-N 1 0 367.493 3.416 50 0 FGAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)N1CC1CCC1 ZINC000095362509 494964652 /nfs/dbraw/zinc/96/46/52/494964652.db2.gz OORGUQCHHROHPH-PZJWPPBQSA-N 1 0 364.493 3.095 50 0 FGAARO Cc1nc(C(=O)N2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cs1 ZINC000095372075 494967849 /nfs/dbraw/zinc/96/78/49/494967849.db2.gz NDQMVFXRWUHRTD-MISYRCLQSA-N 1 0 367.518 3.462 50 0 FGAARO COc1cccc(-c2cc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)on2)c1 ZINC000095375954 494968588 /nfs/dbraw/zinc/96/85/88/494968588.db2.gz RKCDUWIGJKRRFM-INIZCTEOSA-N 1 0 357.454 3.231 50 0 FGAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000095380947 494969613 /nfs/dbraw/zinc/96/96/13/494969613.db2.gz FRPBEDRELKRIFC-FQEVSTJZSA-N 1 0 361.505 3.125 50 0 FGAARO Cc1nn(C)c(C)c1CN(C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1)C1CC1 ZINC000095382693 494970649 /nfs/dbraw/zinc/97/06/49/494970649.db2.gz ADZICHFKPMVTQR-LJQANCHMSA-N 1 0 366.509 3.309 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccnc1 ZINC000095392619 494973659 /nfs/dbraw/zinc/97/36/59/494973659.db2.gz VDEGDRLPCUPRNH-SFHVURJKSA-N 1 0 354.454 3.306 50 0 FGAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)c(F)c1F ZINC000095501958 494981378 /nfs/dbraw/zinc/98/13/78/494981378.db2.gz PKOUKORLDRHLII-FUHWJXTLSA-N 1 0 371.431 3.291 50 0 FGAARO CCCn1ncc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3CCC)c1C ZINC000095501141 494981601 /nfs/dbraw/zinc/98/16/01/494981601.db2.gz IZBRMPPBUIHYSX-UHFFFAOYSA-N 1 0 370.545 3.084 50 0 FGAARO CCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)o1 ZINC000095501654 494981664 /nfs/dbraw/zinc/98/16/64/494981664.db2.gz HCNRDFZOTQPDBW-FUHWJXTLSA-N 1 0 353.466 3.250 50 0 FGAARO COc1ccc(OC)c(NC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)c1 ZINC000095502734 494981679 /nfs/dbraw/zinc/98/16/79/494981679.db2.gz SALFWWSTFOYMOU-HZPDHXFCSA-N 1 0 359.470 3.042 50 0 FGAARO Cc1cc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c(C)o1 ZINC000095501598 494981700 /nfs/dbraw/zinc/98/17/00/494981700.db2.gz WZWQZCWYDQCRAA-KRWDZBQOSA-N 1 0 358.486 3.064 50 0 FGAARO Cc1cc(CC(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)on1 ZINC000095505219 494982587 /nfs/dbraw/zinc/98/25/87/494982587.db2.gz DLFRXPQNGIEKDH-UHFFFAOYSA-N 1 0 373.472 3.078 50 0 FGAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2cccn2C)cc1 ZINC000095507007 494982652 /nfs/dbraw/zinc/98/26/52/494982652.db2.gz IAXCVNMJUOFTFL-UHFFFAOYSA-N 1 0 369.509 3.060 50 0 FGAARO O=C(Nc1ccc(OC(F)F)cc1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000095511274 494983333 /nfs/dbraw/zinc/98/33/33/494983333.db2.gz NQYVDGMNSMPKSK-MRXNPFEDSA-N 1 0 369.412 3.007 50 0 FGAARO CC(C)c1nccn1[C@@H](C)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000095515169 494984058 /nfs/dbraw/zinc/98/40/58/494984058.db2.gz UOWOTXJONGREKY-HNNXBMFYSA-N 1 0 360.527 3.410 50 0 FGAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2cc(C(N)=O)ccc2C)s1 ZINC000095512791 494984354 /nfs/dbraw/zinc/98/43/54/494984354.db2.gz XTBAPPNREOHFCS-UHFFFAOYSA-N 1 0 374.510 3.060 50 0 FGAARO Cc1nc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)no1 ZINC000095511840 494984589 /nfs/dbraw/zinc/98/45/89/494984589.db2.gz WGHCINDUXRXSJH-QGZVFWFLSA-N 1 0 362.905 3.418 50 0 FGAARO COc1cc(C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@H](NC(C)=O)C2)cc(OC)c1 ZINC000095519450 494985393 /nfs/dbraw/zinc/98/53/93/494985393.db2.gz IVOVRULRKYNABL-FCHUYYIVSA-N 1 0 368.477 3.116 50 0 FGAARO COc1cc2c(cc1CNC(=O)[C@@H]1CCC[N@H+](Cc3ccco3)C1)CCC2 ZINC000095523885 494986235 /nfs/dbraw/zinc/98/62/35/494986235.db2.gz CRDDCPHXSISRQZ-GOSISDBHSA-N 1 0 368.477 3.305 50 0 FGAARO COc1cccc([C@H](O)C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)c1 ZINC000095940790 494990649 /nfs/dbraw/zinc/99/06/49/494990649.db2.gz IRXGBBRDYCYLJO-LEWJYISDSA-N 1 0 366.465 3.050 50 0 FGAARO Cc1ccc(F)c(NC(=O)N2CCCC[C@@H]2CC[NH+]2CCN(C)CC2)c1 ZINC000096138087 495003722 /nfs/dbraw/zinc/00/37/22/495003722.db2.gz QIDZFULNHMTGIV-QGZVFWFLSA-N 1 0 362.493 3.158 50 0 FGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccon1 ZINC000096142340 495004319 /nfs/dbraw/zinc/00/43/19/495004319.db2.gz INMWLVNDAFHKCX-GOSISDBHSA-N 1 0 371.481 3.100 50 0 FGAARO C[C@@H](c1nc(-c2ccncc2)nn1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000096159629 495005900 /nfs/dbraw/zinc/00/59/00/495005900.db2.gz NUXGQLYLFRZPDP-INIZCTEOSA-N 1 0 354.502 3.154 50 0 FGAARO COc1ccc(-c2oncc2C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000096343820 495010725 /nfs/dbraw/zinc/01/07/25/495010725.db2.gz IBAOTBJYHGJRGE-VQIMIIECSA-N 1 0 369.465 3.345 50 0 FGAARO Cc1nn(C)c(C)c1/C=C\C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000096794584 495014460 /nfs/dbraw/zinc/01/44/60/495014460.db2.gz VVQGGQQOQVIZEJ-JJEJIETFSA-N 1 0 358.511 3.065 50 0 FGAARO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000096997200 495018501 /nfs/dbraw/zinc/01/85/01/495018501.db2.gz FLFVCYLHCCDCIH-OAQYLSRUSA-N 1 0 368.477 3.499 50 0 FGAARO Cc1nn(-c2ccc(Br)cc2)cc1CN(C)C1CC[NH2+]CC1 ZINC000097162624 495026149 /nfs/dbraw/zinc/02/61/49/495026149.db2.gz HQIQWRAGIJYMFE-UHFFFAOYSA-N 1 0 363.303 3.127 50 0 FGAARO C[NH+]1CCC(NC(=O)c2c3c(sc2-n2cccc2)CSCC3)CC1 ZINC000097252637 495029681 /nfs/dbraw/zinc/02/96/81/495029681.db2.gz POAAEILEVCOASX-UHFFFAOYSA-N 1 0 361.536 3.152 50 0 FGAARO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc2nccnc21 ZINC000097393923 495034469 /nfs/dbraw/zinc/03/44/69/495034469.db2.gz RYFVPFLMURAHOC-CQSZACIVSA-N 1 0 352.463 3.086 50 0 FGAARO O=C(C[NH+]1CCCCCCC1)N1CCn2nc(Cc3ccccc3)cc2C1 ZINC000097495295 495036468 /nfs/dbraw/zinc/03/64/68/495036468.db2.gz MSUMLZTVJWLRRL-UHFFFAOYSA-N 1 0 366.509 3.082 50 0 FGAARO Cc1ccc(-c2cccc(NC(=O)NCC[NH+]3CCC(CO)CC3)c2)cc1 ZINC000097547595 495037477 /nfs/dbraw/zinc/03/74/77/495037477.db2.gz DEQCVVZREVAQLQ-UHFFFAOYSA-N 1 0 367.493 3.488 50 0 FGAARO COc1ccc(F)c(F)c1C[N@H+](C)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000097619193 495039738 /nfs/dbraw/zinc/03/97/38/495039738.db2.gz VPPQHWKGJNPHAX-ZDUSSCGKSA-N 1 0 352.425 3.196 50 0 FGAARO O[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(Cn3cccn3)c2)CC1 ZINC000097813705 495045800 /nfs/dbraw/zinc/04/58/00/495045800.db2.gz FHCKCHRYMZASEA-QFIPXVFZSA-N 1 0 362.477 3.272 50 0 FGAARO C[N@H+](CCNC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2)C1CCCC1 ZINC000104805511 495307924 /nfs/dbraw/zinc/30/79/24/495307924.db2.gz ATNTURPSJCYVLM-GOSISDBHSA-N 1 0 373.497 3.179 50 0 FGAARO CCOc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])ccc1OCc1cccnc1 ZINC000130949414 495471470 /nfs/dbraw/zinc/47/14/70/495471470.db2.gz ARTYEQNZOGLLAK-GOSISDBHSA-N 1 0 369.465 3.013 50 0 FGAARO CC(C)C[NH+]1CCC(NC(=O)N(CCO)[C@H]2CCCc3ccccc32)CC1 ZINC000175691839 496502568 /nfs/dbraw/zinc/50/25/68/496502568.db2.gz PFVSNYDZAPODDM-NRFANRHFSA-N 1 0 373.541 3.188 50 0 FGAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COCC(C)C ZINC000169681742 496716634 /nfs/dbraw/zinc/71/66/34/496716634.db2.gz WPUHBPUWAACXED-FUHWJXTLSA-N 1 0 353.503 3.338 50 0 FGAARO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)o2)cc1 ZINC000215189411 496979377 /nfs/dbraw/zinc/97/93/77/496979377.db2.gz FXYKSXWISOTEJA-SFHVURJKSA-N 1 0 370.493 3.499 50 0 FGAARO O=C(OCCCC[NH+]1CCOCC1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000225525404 497066551 /nfs/dbraw/zinc/06/65/51/497066551.db2.gz IAVXLSCFWNKKAH-UONOGXRCSA-N 1 0 355.837 3.238 50 0 FGAARO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000229785614 497099865 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[NH3+]CC[C@@H]1CN(C(=O)c2ccc(-c3ccnc4ccccc43)cc2)CCO1 ZINC000534588289 504185105 /nfs/dbraw/zinc/18/51/05/504185105.db2.gz BOAHBOWLIIJGCP-GOSISDBHSA-N 1 0 361.445 3.092 50 0 FGAARO CN(Cc1cccnc1)C(=O)NC[C@H](c1ccccc1F)[NH+]1CCCC1 ZINC000534648539 504202946 /nfs/dbraw/zinc/20/29/46/504202946.db2.gz AKAKGWUULILNNA-LJQANCHMSA-N 1 0 356.445 3.199 50 0 FGAARO CCc1cc(-c2ccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cc2)nc(C)n1 ZINC000534674045 504211769 /nfs/dbraw/zinc/21/17/69/504211769.db2.gz NLOFBBWDZIFLGE-FQEVSTJZSA-N 1 0 364.493 3.325 50 0 FGAARO Cc1cc(C)nc(CN(C)C(=O)NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000584901190 507564220 /nfs/dbraw/zinc/56/42/20/507564220.db2.gz OFUIWYBAKUMYGZ-SFHVURJKSA-N 1 0 358.530 3.494 50 0 FGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3cccc4cc(C)oc43)cc2C1 ZINC000082121806 519855258 /nfs/dbraw/zinc/85/52/58/519855258.db2.gz CNBMEGSBXVTAQZ-UHFFFAOYSA-N 1 0 366.465 3.483 50 0 FGAARO CC(C)n1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cn1 ZINC000020205980 519948824 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Cc1cccc2[nH]c(CCN(C)C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)nc21 ZINC000426431069 571224578 /nfs/dbraw/zinc/22/45/78/571224578.db2.gz KZWVCTHYYJJLOQ-QGZVFWFLSA-N 1 0 371.529 3.176 50 0 FGAARO CC(C)c1csc(CCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000670436786 571347268 /nfs/dbraw/zinc/34/72/68/571347268.db2.gz FCOHMGDZMXVPTE-HNNXBMFYSA-N 1 0 350.532 3.079 50 0 FGAARO O=C(NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1onc2c1CCCC2 ZINC000670440229 571348728 /nfs/dbraw/zinc/34/87/28/571348728.db2.gz FUFDZZHBFFFGQC-GOSISDBHSA-N 1 0 367.493 3.238 50 0 FGAARO Cc1csc(SCC(=O)NCC[N@@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000670467820 571359283 /nfs/dbraw/zinc/35/92/83/571359283.db2.gz RFHBMBRSJCAHSU-INIZCTEOSA-N 1 0 361.536 3.149 50 0 FGAARO CCOc1cc(CN(C)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1OC ZINC000670470022 571360052 /nfs/dbraw/zinc/36/00/52/571360052.db2.gz WFOYCJJDAXLFCD-MRXNPFEDSA-N 1 0 363.502 3.108 50 0 FGAARO CSc1ncc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)cn1 ZINC000019770507 695641007 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CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000007777822 204307155 /nfs/dbraw/zinc/30/71/55/204307155.db2.gz UMSLGMJCGSIMRU-SFHVURJKSA-N 1 0 371.481 3.013 50 0 FGAARO O=C(COc1ccc2c(c1)CCC2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008133308 204318704 /nfs/dbraw/zinc/31/87/04/204318704.db2.gz PGGILJITGYQXRM-UHFFFAOYSA-N 1 0 364.489 3.466 50 0 FGAARO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000008132663 204319505 /nfs/dbraw/zinc/31/95/05/204319505.db2.gz NGZWUUQHNJOTMA-UYAOXDASSA-N 1 0 369.461 3.302 50 0 FGAARO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(OC)c1 ZINC000008429911 204331367 /nfs/dbraw/zinc/33/13/67/204331367.db2.gz HPAJMFMFOJRFJP-UHFFFAOYSA-N 1 0 354.450 3.230 50 0 FGAARO O=C(NC[C@@H]1CCC[N@@H+](C2CCOCC2)C1)c1cccc2ccccc21 ZINC000012714537 204486892 /nfs/dbraw/zinc/48/68/92/204486892.db2.gz BSWTVIYMCHGTTB-KRWDZBQOSA-N 1 0 352.478 3.461 50 0 FGAARO COc1cc(CN2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc(OC)c1OC ZINC000019496153 204684954 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CN(C)c1ccc(C(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1 ZINC000077103960 205037567 /nfs/dbraw/zinc/03/75/67/205037567.db2.gz FAROOKYAFGKMSQ-UHFFFAOYSA-N 1 0 357.523 3.424 50 0 FGAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000077200650 205038071 /nfs/dbraw/zinc/03/80/71/205038071.db2.gz DYFCCZYUILHUHB-QGZVFWFLSA-N 1 0 372.469 3.320 50 0 FGAARO CCOc1c(C[NH2+]CCCn2ccnc2)cc(Br)cc1OC ZINC000039279950 205045243 /nfs/dbraw/zinc/04/52/43/205045243.db2.gz LPAUYDAQAPKMMJ-UHFFFAOYSA-N 1 0 368.275 3.233 50 0 FGAARO Cc1nc2ccccc2nc1CN1CC[N@@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000039430182 205046069 /nfs/dbraw/zinc/04/60/69/205046069.db2.gz WDJMGCKOUSNBQX-LJQANCHMSA-N 1 0 368.525 3.140 50 0 FGAARO O[C@@H](C[NH2+]CC1(N2CCCCC2)CCCCC1)COCc1cccs1 ZINC000039943399 205048015 /nfs/dbraw/zinc/04/80/15/205048015.db2.gz JEPRVKJEFYPKNL-SFHVURJKSA-N 1 0 366.571 3.404 50 0 FGAARO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(OC)c1 ZINC000040046937 205050923 /nfs/dbraw/zinc/05/09/23/205050923.db2.gz 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205076957 /nfs/dbraw/zinc/07/69/57/205076957.db2.gz IXZNJAHDBUUJDJ-UHFFFAOYSA-N 1 0 371.319 3.048 50 0 FGAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccncc3)cc2)C1 ZINC000047596370 205147807 /nfs/dbraw/zinc/14/78/07/205147807.db2.gz WCCHQNWSXNAXOX-KRWDZBQOSA-N 1 0 352.482 3.313 50 0 FGAARO C[C@@H](CNC(=O)NC[C@@H]1CCN(c2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000049193569 205169879 /nfs/dbraw/zinc/16/98/79/205169879.db2.gz ONGUDBHLFFLSET-QYZOEREBSA-N 1 0 358.530 3.075 50 0 FGAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(-n2cccn2)nc1 ZINC000054462230 205201172 /nfs/dbraw/zinc/20/11/72/205201172.db2.gz TWXZUDZUJJTWDM-UHFFFAOYSA-N 1 0 358.449 3.360 50 0 FGAARO O=C(CC1=CC[NH2+]CC1)Nc1ccccc1OCCOc1ccccc1 ZINC000055073528 205206882 /nfs/dbraw/zinc/20/68/82/205206882.db2.gz CUTUIHPPPRBCJM-UHFFFAOYSA-N 1 0 352.434 3.393 50 0 FGAARO Cn1cnnc1CC1CC[NH+](Cc2ccc3cccc(Cl)c3n2)CC1 ZINC000055131638 205208301 /nfs/dbraw/zinc/20/83/01/205208301.db2.gz BWZDMPVDZMAUKA-UHFFFAOYSA-N 1 0 355.873 3.471 50 0 FGAARO CCOC(=O)C1=C(C[NH+](C(C)C)C(C)C)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000055226612 205212304 /nfs/dbraw/zinc/21/23/04/205212304.db2.gz CJJQBPILCKKQPU-LJQANCHMSA-N 1 0 373.497 3.319 50 0 FGAARO CC(C)C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000057065233 205233837 /nfs/dbraw/zinc/23/38/37/205233837.db2.gz GQYGZNQHVLSMCN-PXNSSMCTSA-N 1 0 361.505 3.279 50 0 FGAARO COc1cccc([C@@H](CNC(=O)CCCOc2ccccc2)[NH+](C)C)c1 ZINC000057288453 205236606 /nfs/dbraw/zinc/23/66/06/205236606.db2.gz NKFKLWRDXLIFEY-HXUWFJFHSA-N 1 0 356.466 3.273 50 0 FGAARO CCc1oc(C(=O)N2CC[C@@H](n3nc(C)cc3C)C2)cc1C[NH+]1CCCC1 ZINC000055402031 205217739 /nfs/dbraw/zinc/21/77/39/205217739.db2.gz NJWDDIUNVXJQGL-GOSISDBHSA-N 1 0 370.497 3.338 50 0 FGAARO CCC(=O)Nc1ccc(NC(=O)C[C@@H]2C[N@@H+](C(C)C)CCO2)cc1Cl ZINC000055393073 205218175 /nfs/dbraw/zinc/21/81/75/205218175.db2.gz XCCVIFVRAFDZFL-CQSZACIVSA-N 1 0 367.877 3.126 50 0 FGAARO c1ccc2c(c1)nnn2C1CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000055393710 205218439 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CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000014969156 494331317 /nfs/dbraw/zinc/33/13/17/494331317.db2.gz HOGLWIUULTYWAK-FQEVSTJZSA-N 1 0 366.509 3.209 50 0 FGAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@H+](Cc1nc3c(s1)CCCC3)C2 ZINC000014980707 494332142 /nfs/dbraw/zinc/33/21/42/494332142.db2.gz CPBCSHDSJONAKS-FQEVSTJZSA-N 1 0 359.539 3.246 50 0 FGAARO COc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1OC ZINC000015003912 494332915 /nfs/dbraw/zinc/33/29/15/494332915.db2.gz SMQYDLLQUDKCIV-UHFFFAOYSA-N 1 0 364.449 3.021 50 0 FGAARO O=C(NCc1cccs1)[C@H]1CC12CC[NH+](C1CCSCC1)CC2 ZINC000014992087 494333048 /nfs/dbraw/zinc/33/30/48/494333048.db2.gz PATVTCPXXIXULK-MRXNPFEDSA-N 1 0 350.553 3.362 50 0 FGAARO CCn1c2ccccc2nc1C[N@@H+]1CC[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000015068649 494336159 /nfs/dbraw/zinc/33/61/59/494336159.db2.gz OYUWPOLOVAWKNL-QFIPXVFZSA-N 1 0 366.509 3.281 50 0 FGAARO CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000015260882 494344826 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494821755 /nfs/dbraw/zinc/82/17/55/494821755.db2.gz CLDXEBRNAVUDRH-SFHVURJKSA-N 1 0 360.498 3.283 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1cc2c(c(Cl)c1)OCO2)c1cccc(F)c1 ZINC000027592502 494875783 /nfs/dbraw/zinc/87/57/83/494875783.db2.gz RRXPZODMGUCMRB-HNNXBMFYSA-N 1 0 364.804 3.241 50 0 FGAARO COc1ccc(CCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC000027675088 494881019 /nfs/dbraw/zinc/88/10/19/494881019.db2.gz IEYAADFEROBPDV-HNNXBMFYSA-N 1 0 362.495 3.117 50 0 FGAARO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)cc1C ZINC000095352235 494961520 /nfs/dbraw/zinc/96/15/20/494961520.db2.gz BBVXWEIVBHQDIH-FYYLOGMGSA-N 1 0 370.537 3.197 50 0 FGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)ccc1C)C2 ZINC000095358339 494962192 /nfs/dbraw/zinc/96/21/92/494962192.db2.gz JPXGOWXANKAXJS-GDBMZVCRSA-N 1 0 370.415 3.197 50 0 FGAARO COc1ccc2c(c1)CCN(C(=O)[C@@H]1CCC[N@H+](Cc3ccco3)C1)C2 ZINC000095355784 494962747 /nfs/dbraw/zinc/96/27/47/494962747.db2.gz OBROYFLVFJRZLI-GOSISDBHSA-N 1 0 354.450 3.085 50 0 FGAARO COCCCN1CC2(CC1=O)CC[NH+](CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000095368299 494966934 /nfs/dbraw/zinc/96/69/34/494966934.db2.gz FIZUMVMGDABQFT-QGZVFWFLSA-N 1 0 362.514 3.433 50 0 FGAARO CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095371178 494967537 /nfs/dbraw/zinc/96/75/37/494967537.db2.gz PHPMBEXUUXMCGM-HNNXBMFYSA-N 1 0 362.905 3.482 50 0 FGAARO COc1ccc([C@@H]2CN(C(=O)CCC3CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095374202 494967808 /nfs/dbraw/zinc/96/78/08/494967808.db2.gz XPRAUVHZDBLOER-KSEOMHKRSA-N 1 0 354.494 3.274 50 0 FGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000095376116 494968549 /nfs/dbraw/zinc/96/85/49/494968549.db2.gz GXEHWOAXAKUCMF-GOSISDBHSA-N 1 0 366.440 3.355 50 0 FGAARO CCc1ncc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095377755 494968705 /nfs/dbraw/zinc/96/87/05/494968705.db2.gz LZNYEVDSFQBLFF-KSEOMHKRSA-N 1 0 366.484 3.240 50 0 FGAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCCN(c2ccccc2)CC1 ZINC000095384648 494971248 /nfs/dbraw/zinc/97/12/48/494971248.db2.gz VQFORPQVJUSZEO-LJQANCHMSA-N 1 0 367.493 3.231 50 0 FGAARO O=C(NCc1cc(-c2ccccc2)on1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095387259 494972120 /nfs/dbraw/zinc/97/21/20/494972120.db2.gz CEWKPCOMBBNQSA-QGZVFWFLSA-N 1 0 365.433 3.463 50 0 FGAARO C[C@@H](C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1)c1ccccc1 ZINC000095385984 494972181 /nfs/dbraw/zinc/97/21/81/494972181.db2.gz RDFGMVORCNDXTP-GOSISDBHSA-N 1 0 368.525 3.345 50 0 FGAARO Cc1cccc(CC(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c1 ZINC000095386214 494972295 /nfs/dbraw/zinc/97/22/95/494972295.db2.gz FSPFBKWEFKRCJH-FQEVSTJZSA-N 1 0 368.525 3.092 50 0 FGAARO CN(C)C(=O)C1(C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CCCC1 ZINC000095445241 494974910 /nfs/dbraw/zinc/97/49/10/494974910.db2.gz PEHAMEUWZOJQAR-IBGZPJMESA-N 1 0 357.542 3.278 50 0 FGAARO COc1ccc(OC)c(CCC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000095469087 494977911 /nfs/dbraw/zinc/97/79/11/494977911.db2.gz 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ZINC000096926294 495015365 /nfs/dbraw/zinc/01/53/65/495015365.db2.gz NSSIZCKZSXKMKL-ZDTYVGOBSA-N 1 0 371.308 3.480 50 0 FGAARO [NH3+][C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)C1 ZINC000097019420 495019372 /nfs/dbraw/zinc/01/93/72/495019372.db2.gz VJQVQSXAUORFFZ-CQSZACIVSA-N 1 0 361.239 3.415 50 0 FGAARO O=C1[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)CCCN1c1cccnc1 ZINC000097106939 495024445 /nfs/dbraw/zinc/02/44/45/495024445.db2.gz FDJTUSGFGPXIHA-QGZVFWFLSA-N 1 0 356.495 3.481 50 0 FGAARO Cn1cc(CCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)cn1 ZINC000097213023 495028315 /nfs/dbraw/zinc/02/83/15/495028315.db2.gz NKCPJLCINJOGSW-HXUWFJFHSA-N 1 0 354.498 3.086 50 0 FGAARO Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)N1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000097323947 495031933 /nfs/dbraw/zinc/03/19/33/495031933.db2.gz XWNLPVKLEVHRKQ-CABCVRRESA-N 1 0 371.510 3.393 50 0 FGAARO Cc1cc(C)n(C[C@@H](C)NC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)n1 ZINC000097402292 495034459 /nfs/dbraw/zinc/03/44/59/495034459.db2.gz JIWKIFAYVRXEOE-QGZVFWFLSA-N 1 0 369.513 3.348 50 0 FGAARO O=C(Nc1ccccc1OCCCc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000097604118 495040059 /nfs/dbraw/zinc/04/00/59/495040059.db2.gz NKMRLXZSLDHQGH-KDURUIRLSA-N 1 0 365.477 3.381 50 0 FGAARO Cc1ccccc1-c1cccc(C[NH+]2CCN(CCn3cncn3)CC2)c1 ZINC000097732523 495044293 /nfs/dbraw/zinc/04/42/93/495044293.db2.gz XDGAEFDRXNEUEP-UHFFFAOYSA-N 1 0 361.493 3.071 50 0 FGAARO COc1ccc(C)cc1NC(=O)N1CCCC[C@@H]1CC[NH+]1CCN(C)CC1 ZINC000097785273 495045121 /nfs/dbraw/zinc/04/51/21/495045121.db2.gz OZVACUPBHDBRQN-GOSISDBHSA-N 1 0 374.529 3.028 50 0 FGAARO CC(=O)Nc1ccc2nc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)ccc2c1 ZINC000097758028 495045281 /nfs/dbraw/zinc/04/52/81/495045281.db2.gz JGDPQTGHUPSMSV-KRWDZBQOSA-N 1 0 361.449 3.363 50 0 FGAARO O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCC[n+]1cccc2ccccc21 ZINC000100771499 495066337 /nfs/dbraw/zinc/06/63/37/495066337.db2.gz HVWNHGXCVLCZKJ-SJORKVTESA-N 1 0 355.845 3.035 50 0 FGAARO Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc3n(n2)CC[NH2+]C3)ccc1F ZINC000102478631 495137799 /nfs/dbraw/zinc/13/77/99/495137799.db2.gz YJHNSJRKHUJSKB-GGPHIMKMSA-N 1 0 354.473 3.344 50 0 FGAARO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000170595944 495531320 /nfs/dbraw/zinc/53/13/20/495531320.db2.gz DZGQDFALPAMSHK-KBPBESRZSA-N 1 0 355.885 3.150 50 0 FGAARO c1ncc(N2CCC(OCC[NH+]3CCCC3)CC2)nc1OCC1CCCC1 ZINC000185506078 495602652 /nfs/dbraw/zinc/60/26/52/495602652.db2.gz JTQNHXUSJWIZHV-UHFFFAOYSA-N 1 0 374.529 3.127 50 0 FGAARO CCc1cccc2c(C3CCN(C(=O)[C@@H]4CN(CC)CCO4)CC3)c[nH]c21 ZINC000174186165 495854467 /nfs/dbraw/zinc/85/44/67/495854467.db2.gz QFKVHWIHYYVVFS-FQEVSTJZSA-N 1 0 369.509 3.157 50 0 FGAARO Cn1c(CO)nnc1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000215216045 496978360 /nfs/dbraw/zinc/97/83/60/496978360.db2.gz KNKXBBOBYKXWPU-AWEZNQCLSA-N 1 0 370.428 3.086 50 0 FGAARO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(-c2ccco2)cc1 ZINC000223487546 497037857 /nfs/dbraw/zinc/03/78/57/497037857.db2.gz AVABWDFRMPOKFL-IBGZPJMESA-N 1 0 354.450 3.320 50 0 FGAARO 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COc1cccc(C[N@H+]2CC=C(C(=O)NCc3cccc(C)c3)CC2)c1 ZINC000064817983 205306354 /nfs/dbraw/zinc/30/63/54/205306354.db2.gz XDYGKXVPDUOENI-UHFFFAOYSA-N 1 0 350.462 3.452 50 0 FGAARO Cc1sc2nc(CC[NH3+])nc(NC[C@H](C)Oc3cccnc3)c2c1C ZINC000065434009 205350004 /nfs/dbraw/zinc/35/00/04/205350004.db2.gz CVLQNFSMYDMFMO-NSHDSACASA-N 1 0 357.483 3.084 50 0 FGAARO CC[C@H](O)Cn1cc(C2=CC[N@H+](Cc3cccc4cccnc43)CC2)cn1 ZINC000065430850 205350556 /nfs/dbraw/zinc/35/05/56/205350556.db2.gz HIGYBHQOUPTBKJ-NRFANRHFSA-N 1 0 362.477 3.492 50 0 FGAARO O=C(CC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc(F)c1 ZINC000065493394 205354991 /nfs/dbraw/zinc/35/49/91/205354991.db2.gz HIYQRXKRPUAFKP-UHFFFAOYSA-N 1 0 369.440 3.180 50 0 FGAARO O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065407159 205348279 /nfs/dbraw/zinc/34/82/79/205348279.db2.gz XXBQXBFTCPBBJW-SJORKVTESA-N 1 0 358.445 3.263 50 0 FGAARO Cc1ccccc1-n1nc(CC(C)C)nc1CC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000065410207 205348642 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C[N@H+](Cc1cccs1)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067803415 205392695 /nfs/dbraw/zinc/39/26/95/205392695.db2.gz NVBHAHFMNWGNHP-OAQYLSRUSA-N 1 0 372.534 3.166 50 0 FGAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCO[C@H](CC[NH3+])C1 ZINC000067856454 205397351 /nfs/dbraw/zinc/39/73/51/205397351.db2.gz UUNZNJWEIHDWMM-OAHLLOKOSA-N 1 0 369.387 3.218 50 0 FGAARO Cc1ccc(C2(CN(C)Cc3noc4c3CCCC4)CC[NH2+]CC2)nc1 ZINC000067879162 205399291 /nfs/dbraw/zinc/39/92/91/205399291.db2.gz PEYVOOOUZDSDMQ-UHFFFAOYSA-N 1 0 354.498 3.010 50 0 FGAARO c1cn(CCCc2nc3ccccc3s2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072407439 205531115 /nfs/dbraw/zinc/53/11/15/205531115.db2.gz KHEVZBYGFQIGLE-UHFFFAOYSA-N 1 0 364.478 3.092 50 0 FGAARO CC[NH+]1CCC(CC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)CC1 ZINC000095382292 205745752 /nfs/dbraw/zinc/74/57/52/205745752.db2.gz JBJKIWNJARTANF-IBGZPJMESA-N 1 0 354.498 3.359 50 0 FGAARO Clc1ccc2nc(N3CCC([NH2+]CCc4c[nH]cn4)CC3)sc2c1 ZINC000095500550 205769216 /nfs/dbraw/zinc/76/92/16/205769216.db2.gz 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Nc1nc(CCC[NH2+]C2CCN(c3nc4ccccc4o3)CC2)cs1 ZINC000095387206 494972379 /nfs/dbraw/zinc/97/23/79/494972379.db2.gz RPHCSACJHVQTAC-UHFFFAOYSA-N 1 0 357.483 3.058 50 0 FGAARO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000095467120 494977987 /nfs/dbraw/zinc/97/79/87/494977987.db2.gz KDYBFJDOPWIFRQ-ZIAGYGMSSA-N 1 0 350.894 3.497 50 0 FGAARO COc1cccc2c1OC[C@H](CNC(=O)C1([NH+]3CCCC3)CCCCC1)C2 ZINC000095500720 494981163 /nfs/dbraw/zinc/98/11/63/494981163.db2.gz GTNXBJDLKKLELC-KRWDZBQOSA-N 1 0 372.509 3.161 50 0 FGAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)[C@H]1CCCCO1 ZINC000095501021 494981529 /nfs/dbraw/zinc/98/15/29/494981529.db2.gz BQGHNKVNMAAEMX-HXUWFJFHSA-N 1 0 362.489 3.108 50 0 FGAARO CCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095506989 494982566 /nfs/dbraw/zinc/98/25/66/494982566.db2.gz QBYDRNUVHINYJM-QFIPXVFZSA-N 1 0 370.537 3.283 50 0 FGAARO Cc1ccccc1COC1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)C1 ZINC000095511910 494984469 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204272047 /nfs/dbraw/zinc/27/20/47/204272047.db2.gz NGLIVSPQLSRTSQ-UHFFFAOYSA-N 1 0 370.497 3.071 50 0 FGAARO Cc1csc2nc(C[N@@H+](C)Cc3ccccc3N3CCCC3)cc(=O)n12 ZINC000008156320 204318710 /nfs/dbraw/zinc/31/87/10/204318710.db2.gz SYXVXAZVPACTKZ-UHFFFAOYSA-N 1 0 368.506 3.297 50 0 FGAARO C[N@H+](CCOc1ccccc1)Cc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000008405965 204331455 /nfs/dbraw/zinc/33/14/55/204331455.db2.gz OOFXCOCHJBDURX-UHFFFAOYSA-N 1 0 369.490 3.146 50 0 FGAARO COC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000008747869 204344218 /nfs/dbraw/zinc/34/42/18/204344218.db2.gz RLDRZNFCDRBODY-QAPCUYQASA-N 1 0 373.474 3.040 50 0 FGAARO CCOc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2CC)cc1 ZINC000010544194 204398029 /nfs/dbraw/zinc/39/80/29/204398029.db2.gz LTMLJKGIAMRXOA-MRXNPFEDSA-N 1 0 354.516 3.018 50 0 FGAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+]1CCC(C)CC1)C2 ZINC000014748344 204587081 /nfs/dbraw/zinc/58/70/81/204587081.db2.gz JFTXHENAHWEFEN-SFHVURJKSA-N 1 0 372.557 3.364 50 0 FGAARO COc1ccc([C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)N(C)C)cc1OC ZINC000038344814 204841556 /nfs/dbraw/zinc/84/15/56/204841556.db2.gz DUNQAXZELOEZIS-WOJBJXKFSA-N 1 0 354.494 3.454 50 0 FGAARO CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(C)[n+]2C)cc1 ZINC000032739642 204935831 /nfs/dbraw/zinc/93/58/31/204935831.db2.gz QANAHHIDCMHKQD-UHFFFAOYSA-N 1 0 365.458 3.175 50 0 FGAARO COc1ccc(C[N@H+](C[C@@H](O)COc2ccc(OC)cc2)C(C)C)cc1 ZINC000036102219 205005588 /nfs/dbraw/zinc/00/55/88/205005588.db2.gz YYEKWAPNVMJQAW-GOSISDBHSA-N 1 0 359.466 3.354 50 0 FGAARO COCCC[NH2+]Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000036154318 205007594 /nfs/dbraw/zinc/00/75/94/205007594.db2.gz DUIYVMYHKWIONY-UHFFFAOYSA-N 1 0 363.870 3.431 50 0 FGAARO CCCn1c(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)nc2ccccc21 ZINC000077290893 205038369 /nfs/dbraw/zinc/03/83/69/205038369.db2.gz BNIJULSMMYXVNL-AWEZNQCLSA-N 1 0 354.420 3.420 50 0 FGAARO Cc1cc(C)c(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)c(-n2cccn2)c1 ZINC000039394720 205045203 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C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1C(F)(F)F ZINC000058304565 205270080 /nfs/dbraw/zinc/27/00/80/205270080.db2.gz TWUFLKVIEYLDTR-ZDUSSCGKSA-N 1 0 359.392 3.280 50 0 FGAARO Cc1cccnc1NC(=O)C1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000058307162 205270298 /nfs/dbraw/zinc/27/02/98/205270298.db2.gz ZXDPCIXDQUZEQF-UHFFFAOYSA-N 1 0 367.449 3.012 50 0 FGAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc(N)nc(Cl)c3)cc2)C1 ZINC000058310266 205270306 /nfs/dbraw/zinc/27/03/06/205270306.db2.gz HMWNTZUJGKIPOT-AWEZNQCLSA-N 1 0 372.900 3.479 50 0 FGAARO Cc1cc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)n(C)n1 ZINC000057981111 205247315 /nfs/dbraw/zinc/24/73/15/205247315.db2.gz TVGQNMRMPNHGNY-UHFFFAOYSA-N 1 0 355.486 3.426 50 0 FGAARO FC(F)(F)CN1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000057976058 205248085 /nfs/dbraw/zinc/24/80/85/205248085.db2.gz AZDCJEHQHWFTRY-CQSZACIVSA-N 1 0 358.795 3.456 50 0 FGAARO Cc1onc(-c2ccccn2)c1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000064472215 205298328 /nfs/dbraw/zinc/29/83/28/205298328.db2.gz 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O[C@@H]1C[N@H+](Cc2cncn2Cc2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC000065403392 205347413 /nfs/dbraw/zinc/34/74/13/205347413.db2.gz QYEWTICQTQXSJR-FCHUYYIVSA-N 1 0 365.452 3.421 50 0 FGAARO CC(C)C[C@@H](C)[NH2+]Cc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067446977 205371382 /nfs/dbraw/zinc/37/13/82/205371382.db2.gz ZFMQPBUBWZNDET-GOSISDBHSA-N 1 0 353.514 3.327 50 0 FGAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[NH+]1CCC(C(N)=O)CC1 ZINC000067540846 205374822 /nfs/dbraw/zinc/37/48/22/205374822.db2.gz CDZBIPMFECODKE-UHFFFAOYSA-N 1 0 367.371 3.366 50 0 FGAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@@H]2CCCC[NH2+]2)CCO3)s1 ZINC000067604174 205376981 /nfs/dbraw/zinc/37/69/81/205376981.db2.gz MVWDRXYTEJKWGW-INIZCTEOSA-N 1 0 372.490 3.292 50 0 FGAARO Cc1ccccc1OCC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000067622322 205377752 /nfs/dbraw/zinc/37/77/52/205377752.db2.gz SJLXBCBPXZNOGH-UHFFFAOYSA-N 1 0 354.450 3.486 50 0 FGAARO Cc1cccnc1NC(=O)c1cccc(CN(C)C[C@@]2(C)CC[N@H+](C)C2)c1 ZINC000067649273 205378734 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O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc2c(c(Cl)c1)OCO2 ZINC000009534464 494127405 /nfs/dbraw/zinc/12/74/05/494127405.db2.gz BRUCJCGIMAFEQN-AWEZNQCLSA-N 1 0 362.813 3.229 50 0 FGAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000009620778 494128824 /nfs/dbraw/zinc/12/88/24/494128824.db2.gz HKHXRNNIBWZNPH-UHFFFAOYSA-N 1 0 374.876 3.224 50 0 FGAARO CCn1ccnc1CN1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072128911 494129454 /nfs/dbraw/zinc/12/94/54/494129454.db2.gz JURNMKJJYZZRDI-CEWLAPEOSA-N 1 0 372.463 3.243 50 0 FGAARO CCn1ccnc1CN1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072133827 494130559 /nfs/dbraw/zinc/13/05/59/494130559.db2.gz VAKGGSHJXAEKFU-CEMLEFRQSA-N 1 0 350.510 3.274 50 0 FGAARO COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)c(F)c1 ZINC000072137058 494131890 /nfs/dbraw/zinc/13/18/90/494131890.db2.gz HPYUOJIBEUTALB-UHFFFAOYSA-N 1 0 354.425 3.345 50 0 FGAARO Cn1ncc2c1nc(-c1ccncc1)nc2N[C@H](C[NH+](C)C)c1ccccc1 ZINC000072142178 494133381 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CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C(N)=O)C(C)C)cc1 ZINC000012868576 494267029 /nfs/dbraw/zinc/26/70/29/494267029.db2.gz RFXUJGVWYCMQJQ-HXUWFJFHSA-N 1 0 353.466 3.273 50 0 FGAARO COc1ccc([C@@H](CNC(=O)Nc2cc(C)on2)[NH+]2CCCCC2)cc1 ZINC000012949678 494271141 /nfs/dbraw/zinc/27/11/41/494271141.db2.gz ZWPGYEFLWSKKEV-QGZVFWFLSA-N 1 0 358.442 3.340 50 0 FGAARO CCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OCC)c1 ZINC000013717718 494294454 /nfs/dbraw/zinc/29/44/54/494294454.db2.gz KJXWKVLAWKKKKL-UHFFFAOYSA-N 1 0 353.426 3.353 50 0 FGAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC)C(=O)N2CCc1ccccc1 ZINC000014751657 494324932 /nfs/dbraw/zinc/32/49/32/494324932.db2.gz DLTINYAYBIJWDH-KRWDZBQOSA-N 1 0 357.498 3.146 50 0 FGAARO CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@H]1CCCCC[N@@H+]1C ZINC000014969152 494331231 /nfs/dbraw/zinc/33/12/31/494331231.db2.gz HOGLWIUULTYWAK-HXUWFJFHSA-N 1 0 366.509 3.209 50 0 FGAARO C[C@H]1CN(c2ccc(-c3nc(Cc4ccc(F)cc4)no3)cn2)CC[N@@H+]1C ZINC000014967550 494331809 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3.431 50 0 FGAARO CC[NH+](CC)CCCn1cnc2c(c(C)c(C)n2Cc2cccnc2)c1=N ZINC000006661364 204259913 /nfs/dbraw/zinc/25/99/13/204259913.db2.gz OEUNHUDXGYZGEW-UHFFFAOYSA-N 1 0 366.513 3.109 50 0 FGAARO CC(C)C[C@H]1Nc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2NC1=O ZINC000006785471 204270755 /nfs/dbraw/zinc/27/07/55/204270755.db2.gz SYJDAWARQFPYAA-LJQANCHMSA-N 1 0 372.513 3.071 50 0 FGAARO C[N@H+](CC(=O)NC(=O)NCc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000007988705 204314602 /nfs/dbraw/zinc/31/46/02/204314602.db2.gz TZIWHQKBPHGPIF-LJQANCHMSA-N 1 0 351.450 3.022 50 0 FGAARO Cc1ccc(OCc2nc(CSc3nc(N)cc(N)[nH+]3)cs2)cc1 ZINC000009322766 204362931 /nfs/dbraw/zinc/36/29/31/204362931.db2.gz XBNNVJNFDLRRCF-UHFFFAOYSA-N 1 0 359.480 3.277 50 0 FGAARO CCC(C)(C)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 ZINC000009337891 204363117 /nfs/dbraw/zinc/36/31/17/204363117.db2.gz CJVMXIUKWYVXNW-NSHDSACASA-N 1 0 352.500 3.376 50 0 FGAARO CC(C)C[NH+](CC(C)C)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O ZINC000009691494 204378582 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COc1ccc(CN2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c(OC)c1OC ZINC000019496158 204685367 /nfs/dbraw/zinc/68/53/67/204685367.db2.gz MQQNSGUELLSMFA-SJLPKXTDSA-N 1 0 362.514 3.409 50 0 FGAARO CCc1ccc([C@H](CNC(=O)CSc2nc(C)cc(C)n2)[NH+](C)C)cc1 ZINC000032732737 204935497 /nfs/dbraw/zinc/93/54/97/204935497.db2.gz MRLWQSSWDOAQJF-SFHVURJKSA-N 1 0 372.538 3.167 50 0 FGAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2cccc(OC)c2)C(C)C)cc1 ZINC000036098333 205003527 /nfs/dbraw/zinc/00/35/27/205003527.db2.gz ISNFDBBQYXVBFX-SFHVURJKSA-N 1 0 359.466 3.354 50 0 FGAARO COCCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000036095474 205003873 /nfs/dbraw/zinc/00/38/73/205003873.db2.gz KBKPBDZLMVUKDA-HXUWFJFHSA-N 1 0 361.457 3.413 50 0 FGAARO O=C(Cc1c[nH]c2ccccc12)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000039200686 205045176 /nfs/dbraw/zinc/04/51/76/205045176.db2.gz GTRAJIUTYNURIL-OAQYLSRUSA-N 1 0 373.500 3.412 50 0 FGAARO CCOc1ccc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)cc1 ZINC000039542422 205046790 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COc1ccc(F)cc1[C@@H](C)NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000045462885 205122507 /nfs/dbraw/zinc/12/25/07/205122507.db2.gz TZSXITZGXGTRGB-CQSZACIVSA-N 1 0 351.466 3.315 50 0 FGAARO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000045744821 205123471 /nfs/dbraw/zinc/12/34/71/205123471.db2.gz WDEMCJUFCWBQCM-CYBMUJFWSA-N 1 0 364.433 3.106 50 0 FGAARO CC(C)C[NH+]1CCC(NC(=O)c2ccc(Br)cc2F)CC1 ZINC000046049651 205130243 /nfs/dbraw/zinc/13/02/43/205130243.db2.gz HKMCTKTXRQUTGS-UHFFFAOYSA-N 1 0 357.267 3.438 50 0 FGAARO C[NH+](C)CCOc1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1 ZINC000048355226 205161261 /nfs/dbraw/zinc/16/12/61/205161261.db2.gz TWIKRCSOIZYNDK-UHFFFAOYSA-N 1 0 350.821 3.350 50 0 FGAARO CC(=O)Nc1ccc(C[NH2+]C[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000048779356 205166473 /nfs/dbraw/zinc/16/64/73/205166473.db2.gz SBXWHMFONMKEGP-QFIPXVFZSA-N 1 0 367.493 3.117 50 0 FGAARO CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)CC1CC[NH+](CC)CC1 ZINC000055042316 205204726 /nfs/dbraw/zinc/20/47/26/205204726.db2.gz OBTFUOXXKBNTIH-UHFFFAOYSA-N 1 0 356.514 3.384 50 0 FGAARO c1cn(CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)Cc2ccncc2)cn1 ZINC000055224958 205210949 /nfs/dbraw/zinc/21/09/49/205210949.db2.gz XUTRIMUODDNYLL-UHFFFAOYSA-N 1 0 362.437 3.354 50 0 FGAARO CCCCN(CC)Cc1nnc(CC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000055244568 205211693 /nfs/dbraw/zinc/21/16/93/205211693.db2.gz XFWMTQQWCQZLFD-UHFFFAOYSA-N 1 0 355.530 3.431 50 0 FGAARO CCOc1cc(C[NH2+]C[C@@H](C)n2cncn2)c(Cl)cc1OC(C)C ZINC000055370590 205216460 /nfs/dbraw/zinc/21/64/60/205216460.db2.gz AUWRAKNEXYAMKU-CYBMUJFWSA-N 1 0 352.866 3.468 50 0 FGAARO COC(=O)c1sccc1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000056356222 205229386 /nfs/dbraw/zinc/22/93/86/205229386.db2.gz ZNBVXHMGAZLIDR-UHFFFAOYSA-N 1 0 353.488 3.120 50 0 FGAARO O=C(NCCCC[NH+]1CCCC1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056805639 205233079 /nfs/dbraw/zinc/23/30/79/205233079.db2.gz ROYRYFTZWMVPKQ-MRXNPFEDSA-N 1 0 351.878 3.339 50 0 FGAARO CC(=O)N(C)Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000057170196 205235824 /nfs/dbraw/zinc/23/58/24/205235824.db2.gz HGEWMCVAVQOONF-OAQYLSRUSA-N 1 0 365.477 3.268 50 0 FGAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000057378572 205238651 /nfs/dbraw/zinc/23/86/51/205238651.db2.gz QLDWFFSEBCJSTP-JKSUJKDBSA-N 1 0 371.456 3.237 50 0 FGAARO COc1ccccc1[C@@H](CNC(=O)c1[nH]nc2ccccc21)[NH+]1CCCC1 ZINC000057386620 205239207 /nfs/dbraw/zinc/23/92/07/205239207.db2.gz SOWGJPMYRJNRGN-GOSISDBHSA-N 1 0 364.449 3.138 50 0 FGAARO COc1cc(C[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)cc2c1OCO2 ZINC000058172333 205254303 /nfs/dbraw/zinc/25/43/03/205254303.db2.gz KTVFYTIHTSRKTR-UHFFFAOYSA-N 1 0 369.396 3.347 50 0 FGAARO COc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1OC ZINC000058196881 205258863 /nfs/dbraw/zinc/25/88/63/205258863.db2.gz WHYBOGMOCUCPIP-QGZVFWFLSA-N 1 0 360.498 3.288 50 0 FGAARO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000058342948 205271834 /nfs/dbraw/zinc/27/18/34/205271834.db2.gz WRQQBSQSOMGVHM-MRXNPFEDSA-N 1 0 374.872 3.019 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COc1cccc([C@H]2CN(C(=O)c3c[nH]nc3C3CCCCC3)C[C@@H]2[NH3+])c1 ZINC000091770510 494673439 /nfs/dbraw/zinc/67/34/39/494673439.db2.gz BAOGMGKTYWVOBD-MOPGFXCFSA-N 1 0 368.481 3.033 50 0 FGAARO O=C(Nc1nccs1)c1cccc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)c1 ZINC000067880069 494677025 /nfs/dbraw/zinc/67/70/25/494677025.db2.gz ORTCZBUBGRRWQR-QGZVFWFLSA-N 1 0 367.478 3.257 50 0 FGAARO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000024925910 494678831 /nfs/dbraw/zinc/67/88/31/494678831.db2.gz JCYDWEKNCQQBSQ-UHFFFAOYSA-N 1 0 374.506 3.325 50 0 FGAARO Cc1c(NC(=O)c2ccco2)cccc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067908359 494689108 /nfs/dbraw/zinc/68/91/08/494689108.db2.gz AOZMMIZHUBCXMC-OAQYLSRUSA-N 1 0 367.449 3.056 50 0 FGAARO COCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccc(-n3nc(C)cc3C)c1)C2 ZINC000091817637 494689138 /nfs/dbraw/zinc/68/91/38/494689138.db2.gz VKIGHACMCOLUDZ-RBBKRZOGSA-N 1 0 368.525 3.032 50 0 FGAARO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](CC[C@H]1CCOC1)CC2 ZINC000091819514 494691444 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CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000095357125 494962336 /nfs/dbraw/zinc/96/23/36/494962336.db2.gz AMWLAVADBPUIAW-FQEVSTJZSA-N 1 0 350.462 3.373 50 0 FGAARO COCc1ccc(-c2nc(CC3CC[NH+](C)CC3)nn2CC(F)(F)F)o1 ZINC000095356775 494962408 /nfs/dbraw/zinc/96/24/08/494962408.db2.gz ASNHOTPZQXNUAI-UHFFFAOYSA-N 1 0 372.391 3.131 50 0 FGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000095365531 494965550 /nfs/dbraw/zinc/96/55/50/494965550.db2.gz IURGCPMOHAIHPH-UHFFFAOYSA-N 1 0 368.481 3.067 50 0 FGAARO O=C(c1ccc2c(c1)OCO2)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095369102 494966292 /nfs/dbraw/zinc/96/62/92/494966292.db2.gz JLWJPYFNVGEFFO-IEBWSBKVSA-N 1 0 364.445 3.152 50 0 FGAARO COc1nc(C)cc(C)c1CNC(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095372264 494967447 /nfs/dbraw/zinc/96/74/47/494967447.db2.gz MBZSUSIKHDPBMV-SFHVURJKSA-N 1 0 353.466 3.104 50 0 FGAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc4c(c3)OCO4)C2)N1Cc1ccccc1 ZINC000095373120 494967995 /nfs/dbraw/zinc/96/79/95/494967995.db2.gz PBEBYCWJCYGHLZ-RBUKOAKNSA-N 1 0 364.445 3.038 50 0 FGAARO CCCCn1ccnc1[C@H]1CCC[N@H+](Cc2nccc(OC)c2OC)C1 ZINC000095379662 494970049 /nfs/dbraw/zinc/97/00/49/494970049.db2.gz OBFCLJPRTNXQMP-INIZCTEOSA-N 1 0 358.486 3.475 50 0 FGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095379115 494970174 /nfs/dbraw/zinc/97/01/74/494970174.db2.gz GEWBQNPIQLUNMR-INIZCTEOSA-N 1 0 360.889 3.118 50 0 FGAARO CC(C)[NH+]1CCC(C(=O)N(C)CCc2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000095380638 494970209 /nfs/dbraw/zinc/97/02/09/494970209.db2.gz LWAQACMKSBZKLZ-UHFFFAOYSA-N 1 0 362.905 3.338 50 0 FGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CCn2cc(Cl)cn2)C3)cc1 ZINC000095384475 494970494 /nfs/dbraw/zinc/97/04/94/494970494.db2.gz OGAKZTUMZBNPIC-PKOBYXMFSA-N 1 0 374.916 3.142 50 0 FGAARO Cn1ccc(N2CCC[C@H]([NH2+][C@H]3CC=C(c4ccc(F)cc4)CC3)C2=O)n1 ZINC000095465704 494977658 /nfs/dbraw/zinc/97/76/58/494977658.db2.gz VEDQLMFWPKRPLF-OALUTQOASA-N 1 0 368.456 3.280 50 0 FGAARO C[C@]1(COC(=O)c2cnn3cccnc23)CCCC[N@@H+]1Cc1ccccc1 ZINC000095469300 494978456 /nfs/dbraw/zinc/97/84/56/494978456.db2.gz RPNJFCAVJIHNEZ-OAQYLSRUSA-N 1 0 364.449 3.331 50 0 FGAARO O=C(NCc1nnc2ccccn21)Nc1ccccc1C[NH+]1CCCCC1 ZINC000095497050 494980493 /nfs/dbraw/zinc/98/04/93/494980493.db2.gz DFCAFACNMSTGCO-UHFFFAOYSA-N 1 0 364.453 3.037 50 0 FGAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000095499696 494981120 /nfs/dbraw/zinc/98/11/20/494981120.db2.gz KDFPYMHUMXRNNT-UHFFFAOYSA-N 1 0 366.918 3.179 50 0 FGAARO CN(C)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095507150 494982796 /nfs/dbraw/zinc/98/27/96/494982796.db2.gz NHXMIJFETGDJCW-UHFFFAOYSA-N 1 0 352.478 3.474 50 0 FGAARO CC(C)[NH+]1CCC(CC(=O)N2CCn3cccc3[C@@H]2c2cccnc2)CC1 ZINC000095508092 494983456 /nfs/dbraw/zinc/98/34/56/494983456.db2.gz DYGCQSOXCFFRGG-QFIPXVFZSA-N 1 0 366.509 3.325 50 0 FGAARO CC[C@@H](C)n1nc(C)cc1NC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000095515356 494984407 /nfs/dbraw/zinc/98/44/07/494984407.db2.gz CWDBEJLKNUNSOI-OAHLLOKOSA-N 1 0 365.547 3.208 50 0 FGAARO Cn1ncc(Cl)c1C(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095520396 494985627 /nfs/dbraw/zinc/98/56/27/494985627.db2.gz VHCPPTCXXHZRSP-MRXNPFEDSA-N 1 0 372.900 3.168 50 0 FGAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000095517998 494985705 /nfs/dbraw/zinc/98/57/05/494985705.db2.gz FLBHCPWOFNPCEE-OALUTQOASA-N 1 0 370.453 3.103 50 0 FGAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ncoc2C)C1 ZINC000095521771 494986751 /nfs/dbraw/zinc/98/67/51/494986751.db2.gz QRSGEGUTQAPEHC-KRWDZBQOSA-N 1 0 371.481 3.018 50 0 FGAARO CNC(=O)c1ccc(CN2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)o1 ZINC000095526670 494987142 /nfs/dbraw/zinc/98/71/42/494987142.db2.gz PZBAOGVVOYIWDL-GOSISDBHSA-N 1 0 367.493 3.093 50 0 FGAARO COc1cccc([C@H](O)C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)c1 ZINC000095940789 494990748 /nfs/dbraw/zinc/99/07/48/494990748.db2.gz IRXGBBRDYCYLJO-NHCUHLMSSA-N 1 0 366.465 3.050 50 0 FGAARO 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NGGADQAWXHMCRI-NRFANRHFSA-N 1 0 352.478 3.321 50 0 FGAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C3CCOCC3)CC2)C1 ZINC000096154033 495005717 /nfs/dbraw/zinc/00/57/17/495005717.db2.gz DNGKFJRRZMTOIU-HXUWFJFHSA-N 1 0 356.510 3.141 50 0 FGAARO Cc1ccc([C@H](CNC(=O)c2cccnc2C(F)(F)F)[NH+](C)C)cc1 ZINC000097032173 495019950 /nfs/dbraw/zinc/01/99/50/495019950.db2.gz YCKPUXPQJKOSBO-HNNXBMFYSA-N 1 0 351.372 3.442 50 0 FGAARO c1cc(C[NH+]2CCC(OCc3nc(-c4cccnc4)no3)CC2)cs1 ZINC000097096125 495023218 /nfs/dbraw/zinc/02/32/18/495023218.db2.gz WRGZOKDEDZQDTE-UHFFFAOYSA-N 1 0 356.451 3.374 50 0 FGAARO CC(C)c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)c(=O)[nH]1 ZINC000097098803 495023253 /nfs/dbraw/zinc/02/32/53/495023253.db2.gz BZPWJGPBCMUXCQ-UHFFFAOYSA-N 1 0 371.456 3.032 50 0 FGAARO C[C@@]1(CNC(=O)c2cnc(N)c(Cl)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000097102604 495023728 /nfs/dbraw/zinc/02/37/28/495023728.db2.gz IHOSQNOUXNIBBK-IBGZPJMESA-N 1 0 358.873 3.102 50 0 FGAARO Cc1c(C(=O)N2CCC([NH+]3CCSCC3)CC2)[nH]nc1-c1ccccc1 ZINC000097179329 495027436 /nfs/dbraw/zinc/02/74/36/495027436.db2.gz UIIFLEBNFPLHFD-UHFFFAOYSA-N 1 0 370.522 3.039 50 0 FGAARO Cc1cc(C)n(-c2ccc(F)cc2C[NH+]2CCC3(COC(=O)O3)CC2)n1 ZINC000097463523 495035252 /nfs/dbraw/zinc/03/52/52/495035252.db2.gz YCVFOHVTEDCHRG-UHFFFAOYSA-N 1 0 359.401 3.130 50 0 FGAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCCSCc2cccc(Cl)c2)C1 ZINC000097546473 495037440 /nfs/dbraw/zinc/03/74/40/495037440.db2.gz UAOPEVWJYZCTDV-KRWDZBQOSA-N 1 0 370.946 3.189 50 0 FGAARO COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cn1 ZINC000097657272 495039589 /nfs/dbraw/zinc/03/95/89/495039589.db2.gz GNNQZCZBMGBGIS-QGZVFWFLSA-N 1 0 361.449 3.322 50 0 FGAARO COc1ccc(C2(CNC(=O)C[C@H]3C[N@@H+](C(C)C)CCO3)CCCC2)cc1 ZINC000097610000 495039997 /nfs/dbraw/zinc/03/99/97/495039997.db2.gz QAKYVDBFUODONB-FQEVSTJZSA-N 1 0 374.525 3.123 50 0 FGAARO O=C1CCCN1C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000097785225 495045391 /nfs/dbraw/zinc/04/53/91/495045391.db2.gz FCFFGZDWACGXIL-OAHLLOKOSA-N 1 0 356.388 3.420 50 0 FGAARO COCC[N@@H+]1CCC[C@@H](C(=O)NCc2cccc(-c3ccccc3)c2)C1 ZINC000097759484 495045454 /nfs/dbraw/zinc/04/54/54/495045454.db2.gz QLOKPMVLIPKEQD-OAQYLSRUSA-N 1 0 352.478 3.328 50 0 FGAARO Cc1ccc([C@@H]2NC(=[NH+]C3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000100134500 495063481 /nfs/dbraw/zinc/06/34/81/495063481.db2.gz HVHOQJLOEYNYHW-GOSISDBHSA-N 1 0 351.454 3.111 50 0 FGAARO CC[N@@H+]1CC[C@H](OC(=O)[C@](O)(c2ccccc2)c2ccc(C)cc2C)C1 ZINC000102189784 495124942 /nfs/dbraw/zinc/12/49/42/495124942.db2.gz LFDYMFMJCQVADI-UGKGYDQZSA-N 1 0 353.462 3.177 50 0 FGAARO CN(C)C(=O)c1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1 ZINC000102851691 495167311 /nfs/dbraw/zinc/16/73/11/495167311.db2.gz SNEROUXBBRDOCT-LJQANCHMSA-N 1 0 363.461 3.013 50 0 FGAARO CN(C)C(=O)c1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1 ZINC000102851690 495167352 /nfs/dbraw/zinc/16/73/52/495167352.db2.gz SNEROUXBBRDOCT-IBGZPJMESA-N 1 0 363.461 3.013 50 0 FGAARO Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000170602029 495532461 /nfs/dbraw/zinc/53/24/61/495532461.db2.gz VBEXGDNPUBZXLG-BLLLJJGKSA-N 1 0 356.470 3.252 50 0 FGAARO COc1ccc(-c2oncc2C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000170613629 495534565 /nfs/dbraw/zinc/53/45/65/495534565.db2.gz IBAOTBJYHGJRGE-APWZRJJASA-N 1 0 369.465 3.345 50 0 FGAARO CN(Cc1ccc2c(c1)OCO2)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176494987 495673135 /nfs/dbraw/zinc/67/31/35/495673135.db2.gz DLSNYONVJLWYCC-UHFFFAOYSA-N 1 0 373.497 3.354 50 0 FGAARO COc1cc(N[C@H]2CCC[N@H+](Cc3cnc4ccccn34)C2)cc(OC)c1 ZINC000155159714 495857541 /nfs/dbraw/zinc/85/75/41/495857541.db2.gz DQUGNMCKCWOYFW-INIZCTEOSA-N 1 0 366.465 3.428 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccncc1F ZINC000161663692 496217150 /nfs/dbraw/zinc/21/71/50/496217150.db2.gz BDKGMDGQXXHDMF-INIZCTEOSA-N 1 0 357.429 3.053 50 0 FGAARO CN(C)C1(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CCOCC1 ZINC000168356725 496709293 /nfs/dbraw/zinc/70/92/93/496709293.db2.gz OSJKGXCPTISLRO-INIZCTEOSA-N 1 0 358.404 3.273 50 0 FGAARO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(N3CCCS3(=O)=O)c1)CC2 ZINC000185295033 496725743 /nfs/dbraw/zinc/72/57/43/496725743.db2.gz MWTHUNHGQBRRKD-FQEVSTJZSA-N 1 0 372.490 3.012 50 0 FGAARO OCCOCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000247743118 496911901 /nfs/dbraw/zinc/91/19/01/496911901.db2.gz PDHOLEAKIHPKFS-UHFFFAOYSA-N 1 0 358.869 3.442 50 0 FGAARO OCCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000247791662 496915488 /nfs/dbraw/zinc/91/54/88/496915488.db2.gz ORNMGDKRAMWILH-UHFFFAOYSA-N 1 0 356.857 3.119 50 0 FGAARO CSc1ncc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)cn1 ZINC000221323244 497018775 /nfs/dbraw/zinc/01/87/75/497018775.db2.gz XFVRAHXZMGOJMZ-QGZVFWFLSA-N 1 0 356.495 3.156 50 0 FGAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCCC1)c1[nH]c2ccccc2c1Cl ZINC000222913465 497029094 /nfs/dbraw/zinc/02/90/94/497029094.db2.gz WAKOESNFVSVCQJ-ZFKCKOODSA-N 1 0 373.884 3.193 50 0 FGAARO COc1ccc(C(=O)CCC(=O)NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000223577603 497039912 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/nfs/dbraw/zinc/82/94/20/493829420.db2.gz NCYNQDIKROPFST-UHFFFAOYSA-N 1 0 364.921 3.221 50 0 FGAARO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000058183944 493831175 /nfs/dbraw/zinc/83/11/75/493831175.db2.gz WUTYYUBTFWCBHS-CQSZACIVSA-N 1 0 372.435 3.101 50 0 FGAARO CCOc1ccc([C@@]2(O)[C@@H](C)N3CCCC3=[N+]2c2ccc(OC)cc2)cc1 ZINC000003218579 493833455 /nfs/dbraw/zinc/83/34/55/493833455.db2.gz ZIYMBADOEKPYBI-ZHRRBRCNSA-N 1 0 367.469 3.353 50 0 FGAARO O[C@@H](C[NH2+]CCCn1ccnc1)COC(c1ccccc1)c1ccccc1 ZINC000003324523 493839087 /nfs/dbraw/zinc/83/90/87/493839087.db2.gz FGKXNQNQWKFCBX-NRFANRHFSA-N 1 0 365.477 3.030 50 0 FGAARO COc1ccc([C@@H]2CC[N@H+](Cc3cc(=O)n4c(C)csc4n3)C2)cc1 ZINC000058265174 493839798 /nfs/dbraw/zinc/83/97/98/493839798.db2.gz DQHZNGIZVWBTGY-OAHLLOKOSA-N 1 0 355.463 3.063 50 0 FGAARO c1sc(-c2ncccn2)nc1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000058282807 493841442 /nfs/dbraw/zinc/84/14/42/493841442.db2.gz GAHWFZGTVVBTJQ-OAHLLOKOSA-N 1 0 351.479 3.216 50 0 FGAARO COc1ccc(CCNC(=O)C[NH2+][C@@H]2CCCc3ccccc32)cc1OC ZINC000058444892 493854497 /nfs/dbraw/zinc/85/44/97/493854497.db2.gz SYRYQCZUIMXMMT-LJQANCHMSA-N 1 0 368.477 3.030 50 0 FGAARO COC(=O)c1ccccc1NC(=S)N1CC[NH+](C2CCCCC2)CC1 ZINC000003906921 493860192 /nfs/dbraw/zinc/86/01/92/493860192.db2.gz JDRFEWSSLHPYNU-UHFFFAOYSA-N 1 0 361.511 3.120 50 0 FGAARO CC[C@H](CNC(=O)c1cccc(OC)c1OC)[N@@H+]1CCc2ccccc2C1 ZINC000029909402 493866888 /nfs/dbraw/zinc/86/68/88/493866888.db2.gz SEGHYPKIJYXPRJ-GOSISDBHSA-N 1 0 368.477 3.271 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000004998400 493906937 /nfs/dbraw/zinc/90/69/37/493906937.db2.gz YSXMFZZOINHFGY-UHFFFAOYSA-N 1 0 350.677 3.137 50 0 FGAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000051180550 493952761 /nfs/dbraw/zinc/95/27/61/493952761.db2.gz BJDJLPNRWUVXCR-SIKLNZKXSA-N 1 0 363.505 3.466 50 0 FGAARO COc1ccc2[nH]c(C(=O)N3CCCN(c4cc[nH+]cc4C)CC3)cc2c1 ZINC000082096763 493978319 /nfs/dbraw/zinc/97/83/19/493978319.db2.gz HCMDIHNZUMROSP-UHFFFAOYSA-N 1 0 364.449 3.232 50 0 FGAARO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC2(CC1)OCCO2 ZINC000052533634 494037255 /nfs/dbraw/zinc/03/72/55/494037255.db2.gz FJMUMUJYLKAGKA-UHFFFAOYSA-N 1 0 361.873 3.232 50 0 FGAARO COc1ccc(C[N@@H+]2CCCC[C@H]2CCN2CCOCC2)cc1Cl ZINC000077300056 494051808 /nfs/dbraw/zinc/05/18/08/494051808.db2.gz QUZRNFUMHZLSTI-KRWDZBQOSA-N 1 0 352.906 3.425 50 0 FGAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)CN2CCCCCC2=O)cc1 ZINC000077318903 494056221 /nfs/dbraw/zinc/05/62/21/494056221.db2.gz AWGWLBAAHCGKFN-FQEVSTJZSA-N 1 0 371.525 3.204 50 0 FGAARO COc1ccc2n[nH]c(C[N@@H+]3CCCC[C@@H]3CCc3nccn3C)c2c1 ZINC000077321146 494056557 /nfs/dbraw/zinc/05/65/57/494056557.db2.gz GQAUSRPXGIRIQN-OAHLLOKOSA-N 1 0 353.470 3.292 50 0 FGAARO c1nc(CC2CCCC2)[nH]c1C[N@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000077323419 494057657 /nfs/dbraw/zinc/05/76/57/494057657.db2.gz JJSFTDLBWPLLQR-HXUWFJFHSA-N 1 0 360.546 3.219 50 0 FGAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000035262660 494072853 /nfs/dbraw/zinc/07/28/53/494072853.db2.gz ZDAZZXYJHQOODW-HKUYNNGSSA-N 1 0 365.477 3.215 50 0 FGAARO Cc1c[nH]c(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)c(C)c1=O ZINC000077385650 494073810 /nfs/dbraw/zinc/07/38/10/494073810.db2.gz ZONYQDJVOQNLHQ-JOCHJYFZSA-N 1 0 371.525 3.139 50 0 FGAARO Cc1ccc(C)c(C[N@H+]2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)c1 ZINC000077437761 494082500 /nfs/dbraw/zinc/08/25/00/494082500.db2.gz UFPVMHZIOQLZTK-IBGZPJMESA-N 1 0 367.541 3.407 50 0 FGAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)no2)cc1 ZINC000071195098 494089737 /nfs/dbraw/zinc/08/97/37/494089737.db2.gz QZGNGYAXJINXSN-KRWDZBQOSA-N 1 0 371.462 3.444 50 0 FGAARO CCc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)o1 ZINC000071385578 494091774 /nfs/dbraw/zinc/09/17/74/494091774.db2.gz MPICIHTVMZKRTF-GOSISDBHSA-N 1 0 373.541 3.141 50 0 FGAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cc(N2CCCCCCCC2)ccn1 ZINC000071422139 494093093 /nfs/dbraw/zinc/09/30/93/494093093.db2.gz CMUCOPWVAYQBGV-GOSISDBHSA-N 1 0 358.530 3.456 50 0 FGAARO CCCc1n[nH]cc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071589558 494094120 /nfs/dbraw/zinc/09/41/20/494094120.db2.gz QIIPWZUNWANOAR-HMXCVIKNSA-N 1 0 364.493 3.065 50 0 FGAARO Cc1nc2ccccn2c1C(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071638768 494094166 /nfs/dbraw/zinc/09/41/66/494094166.db2.gz AUPSQAIXUWFFFA-GOSISDBHSA-N 1 0 354.498 3.225 50 0 FGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)cc3)CC2)C1)N1CCCC1 ZINC000071730451 494095021 /nfs/dbraw/zinc/09/50/21/494095021.db2.gz AMADGOGUNQASHS-LJQANCHMSA-N 1 0 373.516 3.125 50 0 FGAARO Cc1cccc(C[NH2+]C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)c1 ZINC000071738853 494096987 /nfs/dbraw/zinc/09/69/87/494096987.db2.gz QZIWMABHHDXXBX-QHCPKHFHSA-N 1 0 366.505 3.071 50 0 FGAARO COCCOC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071747167 494097013 /nfs/dbraw/zinc/09/70/13/494097013.db2.gz POJGBOTVVIUQFZ-GOSISDBHSA-N 1 0 352.450 3.141 50 0 FGAARO C[C@@H](CNC(=O)COc1ccc2c(c1)CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000071800840 494101369 /nfs/dbraw/zinc/10/13/69/494101369.db2.gz XBZIWPCRBTYECL-KRWDZBQOSA-N 1 0 364.489 3.117 50 0 FGAARO Fc1cccc(CN2CCC[N@@H+]([C@@H]3CCOC4(CCOCC4)C3)CC2)c1 ZINC000077537964 494107807 /nfs/dbraw/zinc/10/78/07/494107807.db2.gz OMUNNUYOAYIBCS-HXUWFJFHSA-N 1 0 362.489 3.062 50 0 FGAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc2nsnc2c1 ZINC000038584525 494114956 /nfs/dbraw/zinc/11/49/56/494114956.db2.gz XUYXANFIMIEGOF-UHFFFAOYSA-N 1 0 372.519 3.395 50 0 FGAARO CC[C@]12C=CC[N@H+]3CC[C@@]4(c5ccc(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000053313751 494116337 /nfs/dbraw/zinc/11/63/37/494116337.db2.gz AEXBRBWRPNGGEZ-FKBYEOEOSA-N 1 0 366.461 3.230 50 0 in-vitro FGAARO C[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000009376840 494123185 /nfs/dbraw/zinc/12/31/85/494123185.db2.gz HDLLYQLMXJHAMA-OAHLLOKOSA-N 1 0 373.884 3.498 50 0 FGAARO COc1c(C)cnc(CN(Cc2cccnc2)[C@@H]2C[NH+]3CCC2CC3)c1C ZINC000072133077 494130761 /nfs/dbraw/zinc/13/07/61/494130761.db2.gz WCQRPPBMQLCKSQ-OAQYLSRUSA-N 1 0 366.509 3.198 50 0 FGAARO COc1cccc(C(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1O ZINC000072134289 494131181 /nfs/dbraw/zinc/13/11/81/494131181.db2.gz QECYCLQDAQXGCD-GOSISDBHSA-N 1 0 368.477 3.180 50 0 FGAARO CSc1cccc(NC(=O)NC[C@H](C[NH+](C)C)[C@H](O)c2ccccc2)c1 ZINC000040095933 494132029 /nfs/dbraw/zinc/13/20/29/494132029.db2.gz WGFJAJPCFZHCOF-VQIMIIECSA-N 1 0 373.522 3.441 50 0 FGAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCc3ccccc3)cc2)CC1 ZINC000040115669 494134061 /nfs/dbraw/zinc/13/40/61/494134061.db2.gz LBVBTZLIBZDNOC-UHFFFAOYSA-N 1 0 365.521 3.073 50 0 FGAARO CCCn1ccnc1CN(C)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072147769 494134477 /nfs/dbraw/zinc/13/44/77/494134477.db2.gz GXUOVEMYTIHSLY-HXUWFJFHSA-N 1 0 352.526 3.357 50 0 FGAARO O=C(CCCc1ccc(Cl)cc1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072154935 494136552 /nfs/dbraw/zinc/13/65/52/494136552.db2.gz MTVODRGKXHKWDJ-UHFFFAOYSA-N 1 0 364.917 3.110 50 0 FGAARO Cn1ncc2c1nc(CCc1ccccc1)nc2NC[C@H]1CCCC[N@@H+]1C ZINC000072158690 494138132 /nfs/dbraw/zinc/13/81/32/494138132.db2.gz YNMILDLARACBBG-QGZVFWFLSA-N 1 0 364.497 3.045 50 0 FGAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000072165575 494140376 /nfs/dbraw/zinc/14/03/76/494140376.db2.gz FPAZLWNNEFXGIX-AWEZNQCLSA-N 1 0 354.429 3.387 50 0 FGAARO Fc1cc(F)cc([C@@H]2C[N@H+](Cc3cccnc3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072167893 494142050 /nfs/dbraw/zinc/14/20/50/494142050.db2.gz XTRZQUDTDCQKJQ-PWRODBHTSA-N 1 0 355.432 3.422 50 0 FGAARO CCn1cc(C[NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c2ccccc21 ZINC000064669829 494142322 /nfs/dbraw/zinc/14/23/22/494142322.db2.gz QARFKVHGWRYQFW-IBGZPJMESA-N 1 0 369.509 3.168 50 0 FGAARO CN(Cc1cc(C[NH+]2CCCC2)cs1)Cc1nc(-c2cccnc2)no1 ZINC000072172650 494143222 /nfs/dbraw/zinc/14/32/22/494143222.db2.gz DUCXWAHBJBIMMH-UHFFFAOYSA-N 1 0 369.494 3.421 50 0 FGAARO Cc1cc(N2CCC(C(N)=O)CC2)c2cc(OC(F)(F)F)ccc2[nH+]1 ZINC000072286165 494147930 /nfs/dbraw/zinc/14/79/30/494147930.db2.gz GIUWWZJNRFRMAI-UHFFFAOYSA-N 1 0 353.344 3.144 50 0 FGAARO Cc1ccc(-c2nn(C)cc2CCC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000064861153 494155865 /nfs/dbraw/zinc/15/58/65/494155865.db2.gz XTVPPWCAWBUZNU-GOSISDBHSA-N 1 0 368.525 3.319 50 0 FGAARO O=C(NCC[NH+]1CCCC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968141 494162665 /nfs/dbraw/zinc/16/26/65/494162665.db2.gz XWSAJASKSOZWQP-UHFFFAOYSA-N 1 0 363.461 3.439 50 0 FGAARO COc1ccc(C(=O)N2CCC([C@H](C)[NH+]3CCCC3)CC2)c(F)c1F ZINC000072412052 494166531 /nfs/dbraw/zinc/16/65/31/494166531.db2.gz DFRJHGJRBQBTLB-ZDUSSCGKSA-N 1 0 352.425 3.310 50 0 FGAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccccc1-c1ncc[nH]1 ZINC000072412396 494166819 /nfs/dbraw/zinc/16/68/19/494166819.db2.gz UCCFOXWNRZTROU-GOSISDBHSA-N 1 0 360.461 3.205 50 0 FGAARO CC1CCN(C(=O)c2ccc3c(c2)CN(CC[NH+]2CCCCC2)C3=O)CC1 ZINC000072419604 494167602 /nfs/dbraw/zinc/16/76/02/494167602.db2.gz LFVBBKRYABSOSY-UHFFFAOYSA-N 1 0 369.509 3.000 50 0 FGAARO Cc1cc(-c2nn(C)c(Cl)c2CN2CCCC[C@@H]2CC[NH+](C)C)no1 ZINC000072418914 494167713 /nfs/dbraw/zinc/16/77/13/494167713.db2.gz ZACAIOVESFCZFP-CQSZACIVSA-N 1 0 365.909 3.343 50 0 FGAARO Cc1ccnn1CC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072427309 494171074 /nfs/dbraw/zinc/17/10/74/494171074.db2.gz QIPUILQAFQFOBK-QFIPXVFZSA-N 1 0 366.509 3.096 50 0 FGAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CC[C@H](O)[C@@H](O)C2)c1 ZINC000072427927 494171678 /nfs/dbraw/zinc/17/16/78/494171678.db2.gz YPZOUEHKMPDJGO-VXKWHMMOSA-N 1 0 362.473 3.446 50 0 FGAARO Cc1ccccc1C(=O)N1CC[N@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000072431165 494172998 /nfs/dbraw/zinc/17/29/98/494172998.db2.gz FFUOCJTZIZDVAJ-OAQYLSRUSA-N 1 0 366.505 3.137 50 0 FGAARO Cc1ncc2c(c1CNC(=O)CCCc1ccc(Cl)cc1)CC[NH2+]C2 ZINC000072434625 494175287 /nfs/dbraw/zinc/17/52/87/494175287.db2.gz MQMRJKCESIVJBX-UHFFFAOYSA-N 1 0 357.885 3.328 50 0 FGAARO c1ccc2c(c1)CC[C@@H]2Nc1nc(-c2cccnc2)nc2c1CC[NH2+]CC2 ZINC000072454162 494175998 /nfs/dbraw/zinc/17/59/98/494175998.db2.gz SEBJLLYKQMGJFY-IBGZPJMESA-N 1 0 357.461 3.326 50 0 FGAARO [NH3+]C[C@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CCO1 ZINC000072457052 494177924 /nfs/dbraw/zinc/17/79/24/494177924.db2.gz OHIGQHBGAFCWPC-HNNXBMFYSA-N 1 0 369.852 3.288 50 0 FGAARO C[NH+](C)[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072473118 494179406 /nfs/dbraw/zinc/17/94/06/494179406.db2.gz NXNQKKGKDCYIEF-NHCUHLMSSA-N 1 0 366.505 3.348 50 0 FGAARO COc1cccc(NC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)c1 ZINC000065255102 494183135 /nfs/dbraw/zinc/18/31/35/494183135.db2.gz JPTZKOLGRQREFT-UHFFFAOYSA-N 1 0 364.449 3.393 50 0 FGAARO Cc1ccc(C(=O)NCCNc2ccc(Nc3cc[nH+]cc3)nn2)c(C)c1 ZINC000011697767 494188013 /nfs/dbraw/zinc/18/80/13/494188013.db2.gz SWLXJZDRJUDLRG-UHFFFAOYSA-N 1 0 362.437 3.074 50 0 FGAARO C[NH+](C)Cc1cccc([C@H]2CC(=O)Nc3cc(N4CCOC4=O)ccc32)c1 ZINC000065384383 494192109 /nfs/dbraw/zinc/19/21/09/494192109.db2.gz MUUHLHHEGALXMC-GOSISDBHSA-N 1 0 365.433 3.179 50 0 FGAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1CN1C[C@@H](c2ccccc2)CC1=O ZINC000065396165 494192140 /nfs/dbraw/zinc/19/21/40/494192140.db2.gz IUSWMUVVIGGBLW-SFHVURJKSA-N 1 0 373.460 3.364 50 0 FGAARO Cc1cncc(NC(=O)c2ccc(CN3CCC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000065394108 494192624 /nfs/dbraw/zinc/19/26/24/494192624.db2.gz QFHUTZWZTDURLD-NRFANRHFSA-N 1 0 364.493 3.312 50 0 FGAARO Cc1ccccc1-c1ncc(C[NH2+]Cc2cccnc2-n2cncn2)s1 ZINC000065406204 494193200 /nfs/dbraw/zinc/19/32/00/494193200.db2.gz KGKLUFOUGWKULA-UHFFFAOYSA-N 1 0 362.462 3.384 50 0 FGAARO Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc([C@@H](C)[NH+]2CCCCC2)o1 ZINC000065420420 494195474 /nfs/dbraw/zinc/19/54/74/494195474.db2.gz IZWPCVLRYBZBCM-MRXNPFEDSA-N 1 0 358.486 3.449 50 0 FGAARO c1cc([C@H]2CC[N@@H+](Cc3cncnc3)C2)cc(-c2ccc3c(c2)OCCO3)n1 ZINC000065433346 494196669 /nfs/dbraw/zinc/19/66/69/494196669.db2.gz WYYYBMZJDHONKX-IBGZPJMESA-N 1 0 374.444 3.299 50 0 FGAARO CC(C)[C@H](CNC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1)[NH+](C)C ZINC000065496554 494204503 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C[N@H+](CN1C(=O)NC2(CCCCC2)C1=O)CC12CC3CC(CC(C3)C1)C2 ZINC000014139329 494306059 /nfs/dbraw/zinc/30/60/59/494306059.db2.gz HSHVBZISKDMJEL-UHFFFAOYSA-N 1 0 359.514 3.347 50 0 FGAARO COc1ccc([C@@H](C[NH2+][C@H](C)CC(N)=O)c2c[nH]c3ccccc32)cc1 ZINC000014160911 494306716 /nfs/dbraw/zinc/30/67/16/494306716.db2.gz IHAJWOVNKRISCN-RDTXWAMCSA-N 1 0 351.450 3.162 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc4ccccc4c3)cn2)CC1 ZINC000014157835 494306724 /nfs/dbraw/zinc/30/67/24/494306724.db2.gz FVTCVELRCYAPHK-UHFFFAOYSA-N 1 0 360.461 3.168 50 0 FGAARO O=C(NC[C@@H]1COc2ccccc2C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073024795 494307819 /nfs/dbraw/zinc/30/78/19/494307819.db2.gz OPTZWQCTERFASY-GOSISDBHSA-N 1 0 350.462 3.264 50 0 FGAARO c1nnc(CC2CC[NH+](Cc3ccc4nonc4c3)CC2)n1-c1ccccc1 ZINC000055166748 494308783 /nfs/dbraw/zinc/30/87/83/494308783.db2.gz ZVAJPZZSGWYAPJ-UHFFFAOYSA-N 1 0 374.448 3.258 50 0 FGAARO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC1CCCCC1 ZINC000014242217 494311972 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FGAARO CCn1ccnc1C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000015062653 494335528 /nfs/dbraw/zinc/33/55/28/494335528.db2.gz XIBHODFPVKBRQT-QFIPXVFZSA-N 1 0 366.509 3.226 50 0 FGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1)c1cccs1 ZINC000015065366 494336562 /nfs/dbraw/zinc/33/65/62/494336562.db2.gz DIVKVIQSLSATNB-AWEZNQCLSA-N 1 0 358.463 3.119 50 0 FGAARO Clc1ccccc1-n1cc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cn1 ZINC000015067079 494336736 /nfs/dbraw/zinc/33/67/36/494336736.db2.gz LBMDZVISUMMKRI-MRXNPFEDSA-N 1 0 368.872 3.074 50 0 FGAARO Cc1ccc(-c2nc(CN3CCC[N@H+](C[C@@H]4CCCO4)CC3)cs2)o1 ZINC000089656219 494338913 /nfs/dbraw/zinc/33/89/13/494338913.db2.gz QUQCAVKMQILWJM-KRWDZBQOSA-N 1 0 361.511 3.398 50 0 FGAARO c1cc(OCc2ccc3c(c2)OCCO3)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000015356894 494350688 /nfs/dbraw/zinc/35/06/88/494350688.db2.gz JCMKABLEQVKTQA-IBGZPJMESA-N 1 0 355.434 3.305 50 0 FGAARO COc1ccc(-c2noc(N3CCC([NH+]4CCCCC4)CC3)n2)cc1OC ZINC000015681010 494364817 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Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000021548722 494499317 /nfs/dbraw/zinc/49/93/17/494499317.db2.gz ZEOGGWCCOBAWLT-NRFANRHFSA-N 1 0 354.494 3.174 50 0 FGAARO C[C@H](C[NH3+])C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067490110 494551397 /nfs/dbraw/zinc/55/13/97/494551397.db2.gz BJSYWMVMONJSPU-GFCCVEGCSA-N 1 0 360.841 3.028 50 0 FGAARO CCOC(=O)c1ccc(OC[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000023230350 494556293 /nfs/dbraw/zinc/55/62/93/494556293.db2.gz VNSMXBQHDYTZJN-SFHVURJKSA-N 1 0 371.433 3.146 50 0 FGAARO OCC[C@@H]1C[N@H+](Cc2cccc3cnccc32)CCN1Cc1ccsc1 ZINC000023358694 494561596 /nfs/dbraw/zinc/56/15/96/494561596.db2.gz QOZPJUKJBKXFQX-HXUWFJFHSA-N 1 0 367.518 3.365 50 0 FGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056805555 494567166 /nfs/dbraw/zinc/56/71/66/494567166.db2.gz UWILZIVJWSPEOQ-XJKSGUPXSA-N 1 0 351.878 3.337 50 0 FGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056805554 494567251 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/nfs/dbraw/zinc/66/62/66/494666266.db2.gz CQWVFTAHLKDANW-HNNXBMFYSA-N 1 0 359.470 3.146 50 0 FGAARO COc1ccc(O)c(C(=O)NCc2cccnc2N2CCCCCCC2)c1 ZINC000067872317 494674472 /nfs/dbraw/zinc/67/44/72/494674472.db2.gz UOYMLGHDFMEREZ-UHFFFAOYSA-N 1 0 369.465 3.496 50 0 FGAARO Cc1cc(N[C@H](C)c2cnc(N3CCCCCCC3)nc2C)nc(N)[nH+]1 ZINC000091793892 494683573 /nfs/dbraw/zinc/68/35/73/494683573.db2.gz CITACLMJCMNLKL-CQSZACIVSA-N 1 0 355.490 3.409 50 0 FGAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000091845712 494702622 /nfs/dbraw/zinc/70/26/22/494702622.db2.gz VWDQKTAZAMRCTD-UHFFFAOYSA-N 1 0 364.497 3.231 50 0 FGAARO Cc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000025234017 494711564 /nfs/dbraw/zinc/71/15/64/494711564.db2.gz GYHQDVBNJQJKMO-FXAWDEMLSA-N 1 0 366.465 3.008 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000025419454 494738521 /nfs/dbraw/zinc/73/85/21/494738521.db2.gz GMVVCRQDSRPODK-NHCUHLMSSA-N 1 0 368.477 3.277 50 0 FGAARO COc1ccc(CC(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000025536159 494755407 /nfs/dbraw/zinc/75/54/07/494755407.db2.gz JOXIPPWRPHYADB-JOCHJYFZSA-N 1 0 366.505 3.437 50 0 FGAARO O=C(CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1)Nc1ccccc1 ZINC000025934797 494791205 /nfs/dbraw/zinc/79/12/05/494791205.db2.gz WMELDKOMWMJKMY-UHFFFAOYSA-N 1 0 355.457 3.362 50 0 FGAARO O=S(=O)(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000026832977 494840577 /nfs/dbraw/zinc/84/05/77/494840577.db2.gz JSIJUEOHFQTIBQ-UHFFFAOYSA-N 1 0 364.898 3.067 50 0 FGAARO CCc1cc(N2CCC([N@H+](C)CC[C@H](O)c3ccccc3)CC2)nc(C)n1 ZINC000095503184 494981788 /nfs/dbraw/zinc/98/17/88/494981788.db2.gz JJUMVOWFDVXMGI-NRFANRHFSA-N 1 0 368.525 3.372 50 0 FGAARO Cc1cnc(CNC(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3C)c2)cn1 ZINC000096162876 495005282 /nfs/dbraw/zinc/00/52/82/495005282.db2.gz XLQFFBOFOYEVDY-INIZCTEOSA-N 1 0 353.470 3.481 50 0 FGAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)nc3cc(Br)ccc32)C1 ZINC000133875613 495073447 /nfs/dbraw/zinc/07/34/47/495073447.db2.gz 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COc1ccc(C)cc1[N+]1=C2SCCCN2C[C@@]1(O)c1ccc(C)cc1 ZINC000003223831 493833159 /nfs/dbraw/zinc/83/31/59/493833159.db2.gz IFURUHVDTXMKIG-OAQYLSRUSA-N 1 0 369.510 3.483 50 0 FGAARO COc1ccc([C@]2(O)CN3CCCSC3=[N+]2c2ccccc2C)cc1 ZINC000003227241 493833193 /nfs/dbraw/zinc/83/31/93/493833193.db2.gz ZXXUBPMATHOHNX-HXUWFJFHSA-N 1 0 355.483 3.174 50 0 FGAARO Cc1ncsc1C(=O)N1CCC[N@H+](Cc2cccc3cccnc32)CC1 ZINC000058209201 493834026 /nfs/dbraw/zinc/83/40/26/493834026.db2.gz GXESBYHXLFXAOV-UHFFFAOYSA-N 1 0 366.490 3.348 50 0 FGAARO COc1cccc(C[NH+]2CCC(NC(=O)/C=C/c3csc(C)n3)CC2)c1 ZINC000058225799 493836834 /nfs/dbraw/zinc/83/68/34/493836834.db2.gz VJHCTUKFLKYGOX-VOTSOKGWSA-N 1 0 371.506 3.254 50 0 FGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000058264445 493839483 /nfs/dbraw/zinc/83/94/83/493839483.db2.gz WDLFJBWLLMTGST-BETUJISGSA-N 1 0 374.451 3.365 50 0 FGAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccnc1Nc1ccccc1F ZINC000058299145 493842957 /nfs/dbraw/zinc/84/29/57/493842957.db2.gz SHLTVPNGKIFURM-ROUUACIJSA-N 1 0 354.429 3.321 50 0 FGAARO Cc1nn(C)c2nc(C)cc(C(=O)N3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)c12 ZINC000058299669 493843097 /nfs/dbraw/zinc/84/30/97/493843097.db2.gz CYWLBZLGMAUVBX-UXLLHSPISA-N 1 0 369.513 3.063 50 0 FGAARO Cc1csc(NC(=O)C2CC[NH+](Cc3cccc4c3OCCO4)CC2)n1 ZINC000058305605 493843477 /nfs/dbraw/zinc/84/34/77/493843477.db2.gz RZBZYDHTNFFPSO-UHFFFAOYSA-N 1 0 373.478 3.073 50 0 FGAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3C=C12 ZINC000004043793 493861865 /nfs/dbraw/zinc/86/18/65/493861865.db2.gz IQLCNKFYAQMXOI-VGUOSERISA-N 1 0 373.493 3.060 50 0 FGAARO Cc1c(C(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c2ccccc2n1C ZINC000004062768 493863405 /nfs/dbraw/zinc/86/34/05/493863405.db2.gz QZEUPOIGYNSYJG-HNNXBMFYSA-N 1 0 355.482 3.050 50 0 FGAARO Cc1nn2c(nc(C)cc2N2CC[NH+](C)CC2)c1-c1ccccc1Cl ZINC000005244021 493920975 /nfs/dbraw/zinc/92/09/75/493920975.db2.gz HYOFPMIVKHWSSB-UHFFFAOYSA-N 1 0 355.873 3.418 50 0 FGAARO CC[NH+](CC)CCNC(=O)c1ccc(COc2ccc(F)cc2F)o1 ZINC000032611356 493999948 /nfs/dbraw/zinc/99/99/48/493999948.db2.gz RWSMFWDVCAHSSQ-UHFFFAOYSA-N 1 0 352.381 3.208 50 0 FGAARO COc1ccc(CCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000007105589 494000953 /nfs/dbraw/zinc/00/09/53/494000953.db2.gz RWFDVGATVFJASD-UHFFFAOYSA-N 1 0 353.466 3.018 50 0 FGAARO COc1ccc(F)c(F)c1C(=O)N1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000077374937 494069763 /nfs/dbraw/zinc/06/97/63/494069763.db2.gz ASTHDEISPUOIPI-DOTOQJQBSA-N 1 0 374.431 3.452 50 0 FGAARO O=C1CC[C@]2(CCC[N@H+](CCCOCc3ccccc3)C2)CN1C1CC1 ZINC000077375904 494070017 /nfs/dbraw/zinc/07/00/17/494070017.db2.gz MLZBUSFWQBRYHQ-QFIPXVFZSA-N 1 0 356.510 3.460 50 0 FGAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)c1 ZINC000077386176 494073673 /nfs/dbraw/zinc/07/36/73/494073673.db2.gz QPJPBEWBWIGQGV-MRXNPFEDSA-N 1 0 355.434 3.465 50 0 FGAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cnn(-c2ccccc2)c1 ZINC000077426619 494080595 /nfs/dbraw/zinc/08/05/95/494080595.db2.gz SGPUNYJKLDLLEJ-NRFANRHFSA-N 1 0 360.461 3.001 50 0 FGAARO CCc1c[nH]nc1C1CC[NH+](Cc2ccc(Sc3nncn3C)o2)CC1 ZINC000077438885 494083174 /nfs/dbraw/zinc/08/31/74/494083174.db2.gz BRIJPBHRMBIRSR-UHFFFAOYSA-N 1 0 372.498 3.224 50 0 FGAARO O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2ccc(-c3ccccn3)cc2)C1 ZINC000077470620 494089523 /nfs/dbraw/zinc/08/95/23/494089523.db2.gz MIYLFXSPTMSXPV-JOCHJYFZSA-N 1 0 351.494 3.171 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc2cc(Br)ccc21 ZINC000071281088 494091117 /nfs/dbraw/zinc/09/11/17/494091117.db2.gz MTMVUOJYPIWVSA-HNNXBMFYSA-N 1 0 364.287 3.004 50 0 FGAARO CCc1nc(C)c(C[N@@H+]2CCC(=O)N(Cc3ccccc3)[C@@H](CC)C2)[nH]1 ZINC000071552001 494094027 /nfs/dbraw/zinc/09/40/27/494094027.db2.gz CXEVXUYMOQWNFQ-SFHVURJKSA-N 1 0 354.498 3.294 50 0 FGAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)COc2ccccc2)CC1 ZINC000063856620 494094707 /nfs/dbraw/zinc/09/47/07/494094707.db2.gz HSEAJAONRKCLDC-UHFFFAOYSA-N 1 0 352.478 3.231 50 0 FGAARO Fc1cccc([C@@H]2C[N@H+](Cc3cccnc3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000071707844 494095411 /nfs/dbraw/zinc/09/54/11/494095411.db2.gz VKOLAMYKLXSPDD-IOMROCGXSA-N 1 0 355.432 3.422 50 0 FGAARO CC(C)[C@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)CCC(=O)N1CC1CC1 ZINC000071747336 494096840 /nfs/dbraw/zinc/09/68/40/494096840.db2.gz ANPSVYUJOAWBCG-OAQYLSRUSA-N 1 0 366.509 3.341 50 0 FGAARO O=C(c1cn2ccccc2n1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071738806 494096910 /nfs/dbraw/zinc/09/69/10/494096910.db2.gz ZFAKBOCGFNFKKZ-VLCRHTCISA-N 1 0 372.472 3.037 50 0 FGAARO CNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(SC)cc3)oc2C)C1 ZINC000071756902 494099162 /nfs/dbraw/zinc/09/91/62/494099162.db2.gz CRXGSCSQOAPULY-OAHLLOKOSA-N 1 0 359.495 3.330 50 0 FGAARO Cc1ccc(OC2(C(=O)N3CCC[C@H]3c3ccccn3)CC[NH2+]CC2)cc1 ZINC000077503841 494099378 /nfs/dbraw/zinc/09/93/78/494099378.db2.gz CEOYUSYYRFYOBA-FQEVSTJZSA-N 1 0 365.477 3.255 50 0 FGAARO CCCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071775473 494100730 /nfs/dbraw/zinc/10/07/30/494100730.db2.gz SFIOBVCQSBFJTG-HXUWFJFHSA-N 1 0 372.557 3.017 50 0 FGAARO Cc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)c2ccc(C)c(C)c2n1 ZINC000077517007 494102071 /nfs/dbraw/zinc/10/20/71/494102071.db2.gz AWMYWHJHMVUCED-JOCHJYFZSA-N 1 0 369.509 3.079 50 0 FGAARO CC[C@H]1CN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC[N@@H+]1C(C)C ZINC000077518592 494102925 /nfs/dbraw/zinc/10/29/25/494102925.db2.gz CVURPPGJUBPLTB-NRFANRHFSA-N 1 0 368.525 3.493 50 0 FGAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NC(=O)NC2CCCC2)cc1 ZINC000009512986 494126469 /nfs/dbraw/zinc/12/64/69/494126469.db2.gz CMRGZWIAQTXOSS-IBGZPJMESA-N 1 0 373.497 3.381 50 0 FGAARO Cc1nccnc1N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072133316 494130598 /nfs/dbraw/zinc/13/05/98/494130598.db2.gz HYADNTJFIWKVDA-ATZDWAIDSA-N 1 0 356.420 3.130 50 0 FGAARO COc1cc(C[NH+]2CCC(c3cc(=O)[nH]c(C)n3)CC2)cc(Cl)c1O ZINC000072138816 494132013 /nfs/dbraw/zinc/13/20/13/494132013.db2.gz IJTYAGLCUGMEGO-UHFFFAOYSA-N 1 0 363.845 3.238 50 0 FGAARO CC(C)c1cc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)cs1 ZINC000072145159 494133004 /nfs/dbraw/zinc/13/30/04/494133004.db2.gz RLYHGZNYRPIKSP-MOPGFXCFSA-N 1 0 370.518 3.420 50 0 FGAARO Cn1c(C[N@@H+]2CCCN(Cc3cccnc3)CC2)cc2cc(F)ccc21 ZINC000072161815 494139531 /nfs/dbraw/zinc/13/95/31/494139531.db2.gz ODVBRQDWUCXEDN-UHFFFAOYSA-N 1 0 352.457 3.420 50 0 FGAARO CCCn1nccc1C(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000072162011 494139847 /nfs/dbraw/zinc/13/98/47/494139847.db2.gz VAYKXWGHMQQWLX-LJQANCHMSA-N 1 0 354.498 3.072 50 0 FGAARO COC(=O)C1(C(=O)OC)CC([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000072233828 494145711 /nfs/dbraw/zinc/14/57/11/494145711.db2.gz XUKZBWNTUGTTOB-UHFFFAOYSA-N 1 0 367.445 3.184 50 0 FGAARO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000072422319 494169384 /nfs/dbraw/zinc/16/93/84/494169384.db2.gz ZXJODGUAHVFKAJ-OKILXGFUSA-N 1 0 370.415 3.419 50 0 FGAARO O=C(c1cncc(N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)n1)N1CCCC1 ZINC000072427075 494171250 /nfs/dbraw/zinc/17/12/50/494171250.db2.gz QYFRBZJHRUZDGV-GOSISDBHSA-N 1 0 371.529 3.169 50 0 FGAARO COc1c(F)cc(CN2CCC([C@@H](C)[NH+]3CCOCC3)CC2)cc1Cl ZINC000072478081 494181721 /nfs/dbraw/zinc/18/17/21/494181721.db2.gz FOMJQIWESKEEQL-CQSZACIVSA-N 1 0 370.896 3.420 50 0 FGAARO O=C(C[C@H]1COCC[N@@H+]1CCc1ccccc1)NCc1cccc(Cl)c1 ZINC000072478941 494182483 /nfs/dbraw/zinc/18/24/83/494182483.db2.gz QZYNIWBGRHKYME-FQEVSTJZSA-N 1 0 372.896 3.290 50 0 FGAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1[C@H]1CC(=O)Nc2ccc(F)cc21 ZINC000065454998 494199471 /nfs/dbraw/zinc/19/94/71/494199471.db2.gz YNJFNPMXXUKVBU-HNNXBMFYSA-N 1 0 363.396 3.461 50 0 FGAARO CC(C)[C@H](CNC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)[NH+](C)C ZINC000065496539 494204688 /nfs/dbraw/zinc/20/46/88/494204688.db2.gz IMQKUMRGMLYSFB-YJBOKZPZSA-N 1 0 366.937 3.052 50 0 FGAARO C[S@@](=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000065518161 494208013 /nfs/dbraw/zinc/20/80/13/494208013.db2.gz RWRXCVLXKJQTJX-QYBDOPJKSA-N 1 0 370.518 3.066 50 0 FGAARO CN(C(=O)CCc1ccncc1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012196613 494212646 /nfs/dbraw/zinc/21/26/46/494212646.db2.gz OKFOQWSSHBCSEJ-OAQYLSRUSA-N 1 0 351.494 3.180 50 0 FGAARO CC(=O)c1cc(C[N@@H+]2CC[C@H](C3CCN(c4ncccn4)CC3)C2)cs1 ZINC000012590930 494244932 /nfs/dbraw/zinc/24/49/32/494244932.db2.gz WDSCXSHOJNFMCQ-SFHVURJKSA-N 1 0 370.522 3.479 50 0 FGAARO C[N@H+](C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O)C1CCCCC1 ZINC000012706577 494251273 /nfs/dbraw/zinc/25/12/73/494251273.db2.gz LLYNVESZFGXBNN-HXUWFJFHSA-N 1 0 366.452 3.083 50 0 FGAARO CC1CC[NH+](CCCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012865453 494265973 /nfs/dbraw/zinc/26/59/73/494265973.db2.gz BVRBUKONKNJGBO-UHFFFAOYSA-N 1 0 365.326 3.394 50 0 FGAARO CC1CC[NH+](Cc2ccc(CNS(=O)(=O)c3cccs3)cc2)CC1 ZINC000012943969 494271877 /nfs/dbraw/zinc/27/18/77/494271877.db2.gz WFGJKZVKJYUQCA-UHFFFAOYSA-N 1 0 364.536 3.459 50 0 FGAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3cc(C)no3)nc21 ZINC000013595823 494290022 /nfs/dbraw/zinc/29/00/22/494290022.db2.gz ZHNGHRGZWZKTJR-UHFFFAOYSA-N 1 0 374.466 3.118 50 0 FGAARO O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000055107423 494302283 /nfs/dbraw/zinc/30/22/83/494302283.db2.gz HHJLFLRXBLBJFS-UHFFFAOYSA-N 1 0 360.542 3.042 50 0 FGAARO CCc1oc(C(=O)N[C@H]2C(=O)Nc3cccc(C)c32)cc1C[NH+](CC)CC ZINC000055109410 494303096 /nfs/dbraw/zinc/30/30/96/494303096.db2.gz JQRNQHGMCLNATG-LJQANCHMSA-N 1 0 369.465 3.415 50 0 FGAARO CC[NH+]1CCC(NC(=O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000014199919 494310320 /nfs/dbraw/zinc/31/03/20/494310320.db2.gz PAHIFVUFBFOCMQ-UHFFFAOYSA-N 1 0 354.450 3.458 50 0 FGAARO CCOc1ccccc1C[N@H+](CC)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000055199904 494312933 /nfs/dbraw/zinc/31/29/33/494312933.db2.gz ZJRLGSVFQPDEIV-UHFFFAOYSA-N 1 0 362.495 3.016 50 0 FGAARO Cc1c(C[N@@H+](C)[C@H](C)Cc2cc(C)ccn2)c(=O)n(-c2ccccc2)n1C ZINC000055271908 494321313 /nfs/dbraw/zinc/32/13/13/494321313.db2.gz ADWMTJIUFKJQKI-QGZVFWFLSA-N 1 0 364.493 3.251 50 0 FGAARO COc1cc2cc3[n+](cc2cc1OC)CCc1cc(OC)c(OC)cc1-3 ZINC000014682001 494323095 /nfs/dbraw/zinc/32/30/95/494323095.db2.gz CLFBXKHKECKSQM-UHFFFAOYSA-N 1 0 352.410 3.385 50 0 biogenic,in-vivo FGAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000014956442 494330612 /nfs/dbraw/zinc/33/06/12/494330612.db2.gz LMLDLWQIYZCDJV-OAQYLSRUSA-N 1 0 371.481 3.035 50 0 FGAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)c1ccccn1 ZINC000014969903 494331521 /nfs/dbraw/zinc/33/15/21/494331521.db2.gz WVLXNIRBKDJQIF-UHFFFAOYSA-N 1 0 355.457 3.247 50 0 FGAARO COCCn1c(C)cc(O)c([C@@H](c2ccccc2F)[NH+]2CCCCC2)c1=O ZINC000016993436 494405284 /nfs/dbraw/zinc/40/52/84/494405284.db2.gz ZTGDKKZSRIGZHR-HXUWFJFHSA-N 1 0 374.456 3.223 50 0 FGAARO OCC[C@@H]1CN(Cc2ccc(O)c(Cl)c2)CC[N@@H+]1C1CCCCC1 ZINC000019219633 494438489 /nfs/dbraw/zinc/43/84/89/494438489.db2.gz IIWGQMADWKKNRM-QGZVFWFLSA-N 1 0 352.906 3.247 50 0 FGAARO CC(C)c1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019770744 494459767 /nfs/dbraw/zinc/45/97/67/494459767.db2.gz XJXLJFCQHDTHSE-JOCHJYFZSA-N 1 0 368.521 3.368 50 0 FGAARO CC1=C(C(=O)Nc2ccc(F)cc2C)C2(CC[NH+](C(C)C)CC2)OC1=O ZINC000020581706 494477464 /nfs/dbraw/zinc/47/74/64/494477464.db2.gz RERUMARMDXAVCN-UHFFFAOYSA-N 1 0 360.429 3.189 50 0 FGAARO CCCOc1c(Br)cc(CNCCC[NH2+]C)cc1OCC ZINC000020968163 494483798 /nfs/dbraw/zinc/48/37/98/494483798.db2.gz IHOPBGCIZKXBAJ-UHFFFAOYSA-N 1 0 359.308 3.336 50 0 FGAARO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000067216547 494495758 /nfs/dbraw/zinc/49/57/58/494495758.db2.gz MNQKYHNUHMBFIY-UHFFFAOYSA-N 1 0 373.305 3.332 50 0 FGAARO CCC[NH+](CCC)CCNC(=O)COCc1cc(-c2cccs2)on1 ZINC000021528141 494498613 /nfs/dbraw/zinc/49/86/13/494498613.db2.gz ZMBIYEXQACFNGK-UHFFFAOYSA-N 1 0 365.499 3.158 50 0 FGAARO CC[NH+]1CCN(c2cc(C)nc3c(-c4ccc(F)cc4)c(C)nn32)CC1 ZINC000021798917 494507062 /nfs/dbraw/zinc/50/70/62/494507062.db2.gz HHOPDSHWDNRPLO-UHFFFAOYSA-N 1 0 353.445 3.294 50 0 FGAARO C[C@H](NC(=S)NC1CCCCC1)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022027283 494513873 /nfs/dbraw/zinc/51/38/73/494513873.db2.gz VKSBBIVKECNHLR-FXAWDEMLSA-N 1 0 374.598 3.160 50 0 FGAARO Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)NCCC[NH+](C)C ZINC000022350567 494520472 /nfs/dbraw/zinc/52/04/72/494520472.db2.gz POEIUNLIZCYUGN-UHFFFAOYSA-N 1 0 355.360 3.350 50 0 FGAARO Cc1ccc([C@@H](CNC(=O)Nc2cccc(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022582346 494527978 /nfs/dbraw/zinc/52/79/78/494527978.db2.gz LYKVGFLGNGFNOS-OAQYLSRUSA-N 1 0 366.509 3.414 50 0 FGAARO C[C@H](C(=O)Nc1ccccc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022915948 494542243 /nfs/dbraw/zinc/54/22/43/494542243.db2.gz HHBMBTZRZOQYKW-QGZVFWFLSA-N 1 0 355.457 3.013 50 0 FGAARO CCOc1c(CNC[C@@H]2CCC[N@@H+]2CC)cc(Br)cc1OC ZINC000022936898 494542885 /nfs/dbraw/zinc/54/28/85/494542885.db2.gz OVEVSLBDCLPXLG-HNNXBMFYSA-N 1 0 371.319 3.430 50 0 FGAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@](C)(O)C3)c(C)o2)c(OC)c1C ZINC000067472998 494548157 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Cc1nc(C2CC[NH+](Cc3ccc([C@@H]4CCCO4)s3)CC2)cc(=O)[nH]1 ZINC000215861811 496984540 /nfs/dbraw/zinc/98/45/40/496984540.db2.gz YIWPQRLWNXBXEW-KRWDZBQOSA-N 1 0 359.495 3.371 50 0 FGAARO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000219846212 497012276 /nfs/dbraw/zinc/01/22/76/497012276.db2.gz ZMZNYARZGFUIPG-MRXNPFEDSA-N 1 0 361.873 3.148 50 0 FGAARO Cc1cc(Cl)cc(Cl)c1CNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000222270846 497021973 /nfs/dbraw/zinc/02/19/73/497021973.db2.gz HRSTUENMYKDNHJ-UHFFFAOYSA-N 1 0 352.269 3.491 50 0 FGAARO O=C(c1cccc(-c2cccc(F)c2)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000222417254 497022864 /nfs/dbraw/zinc/02/28/64/497022864.db2.gz XMIRONRGUPVLBP-UHFFFAOYSA-N 1 0 368.452 3.430 50 0 FGAARO C[NH+]1CCC(C(=O)NCc2cc(-c3ccccc3)n[nH]2)(c2ccccc2)CC1 ZINC000223258781 497033924 /nfs/dbraw/zinc/03/39/24/497033924.db2.gz JJIAPDJKZUOYJZ-UHFFFAOYSA-N 1 0 374.488 3.357 50 0 FGAARO COc1ccc(CC[NH2+][C@H](c2cnn(C)c2)c2ccccc2)cc1OC ZINC000225667241 497071069 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Cc1ccc(OCCC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000237464741 209349613 /nfs/dbraw/zinc/34/96/13/209349613.db2.gz XFBXUGIRTWHBFV-UONOGXRCSA-N 1 0 369.303 3.112 50 0 FGAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)C1 ZINC000237259564 209340205 /nfs/dbraw/zinc/34/02/05/209340205.db2.gz QFPXILWOJSFYLV-HNNXBMFYSA-N 1 0 360.889 3.214 50 0 FGAARO C[NH2+]C1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 ZINC000237137657 209336517 /nfs/dbraw/zinc/33/65/17/209336517.db2.gz SYMSJWSFKWOMLP-UHFFFAOYSA-N 1 0 356.853 3.395 50 0 FGAARO COc1ccc(C[NH2+]CCCOc2ccccn2)cc1Br ZINC000113396550 209335805 /nfs/dbraw/zinc/33/58/05/209335805.db2.gz JNAYYHUKTYYMSK-UHFFFAOYSA-N 1 0 351.244 3.411 50 0 FGAARO COc1cc(CCC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1 ZINC000047415793 209328063 /nfs/dbraw/zinc/32/80/63/209328063.db2.gz XLPPAFLCGOMFFO-CALCHBBNSA-N 1 0 362.514 3.121 50 0 FGAARO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Cl)s1 ZINC000108143618 209282459 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Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(CCOc1ccc(F)cc1)C2 ZINC000095354377 209025241 /nfs/dbraw/zinc/02/52/41/209025241.db2.gz JMUDMZICGWCIOI-PKOBYXMFSA-N 1 0 373.472 3.406 50 0 FGAARO Cc1noc(C)c1CN1CC2(CC1=O)CC[NH+](Cc1cccc(O)c1)CC2 ZINC000095359546 209027388 /nfs/dbraw/zinc/02/73/88/209027388.db2.gz USCTURVYYKJUNM-UHFFFAOYSA-N 1 0 369.465 3.012 50 0 FGAARO Cc1nc2ncccc2c(NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)n1 ZINC000095360281 209027963 /nfs/dbraw/zinc/02/79/63/209027963.db2.gz VFIBTXXKAFQLTE-UHFFFAOYSA-N 1 0 365.485 3.004 50 0 FGAARO CC[N@@H+]1CCC[C@@](C)(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000095360444 209028440 /nfs/dbraw/zinc/02/84/40/209028440.db2.gz WPSMNQBHYFSVJK-LJQANCHMSA-N 1 0 364.917 3.272 50 0 FGAARO COc1ccc([C@@H]2C[N@H+](Cc3cccc(O)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095363865 209028733 /nfs/dbraw/zinc/02/87/33/209028733.db2.gz LWPBCTKPSHTETL-YTFSRNRJSA-N 1 0 364.489 3.463 50 0 FGAARO Cc1noc(C)c1CCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095365660 209031034 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FGAARO O=C(NCc1cc(-c2ccccc2)on1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095387260 209043519 /nfs/dbraw/zinc/04/35/19/209043519.db2.gz CEWKPCOMBBNQSA-KRWDZBQOSA-N 1 0 365.433 3.463 50 0 FGAARO CC[NH+](CC)[C@H](C)CNC(=O)c1sc2ccccc2c1C[S@](C)=O ZINC000095405594 209048368 /nfs/dbraw/zinc/04/83/68/209048368.db2.gz XTROCEDEOUIWCA-YEBMWUKDSA-N 1 0 366.552 3.240 50 0 FGAARO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2cccc(NC(N)=O)c2)c1 ZINC000095957644 209090345 /nfs/dbraw/zinc/09/03/45/209090345.db2.gz WBCLLDWQKSCVQJ-LJQANCHMSA-N 1 0 366.465 3.479 50 0 FGAARO CS[C@@H]1CN(C(=O)Nc2ccc(OC(C)C)cc2F)C[C@@H]1[NH+](C)C ZINC000095467096 209056014 /nfs/dbraw/zinc/05/60/14/209056014.db2.gz CIQPCTZNBRFRLK-JKSUJKDBSA-N 1 0 355.479 3.122 50 0 FGAARO Nn1c(SCCC[NH+]2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000095946377 209088218 /nfs/dbraw/zinc/08/82/18/209088218.db2.gz KQZWLFCAZAWYQG-UHFFFAOYSA-N 1 0 351.907 3.280 50 0 FGAARO Cc1ccccc1[C@@H](CNC(=O)Cn1ccnc1-c1ccccc1)[NH+](C)C ZINC000095508526 209067052 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Nc1nccc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)n1 ZINC000095372588 132208961 /nfs/dbraw/zinc/20/89/61/132208961.db2.gz HWBUQIAFUWRUSC-SFHVURJKSA-N 1 0 363.509 3.297 50 0 FGAARO CCc1cc(N2CCC([NH2+]CCSc3ccccn3)CC2)nc(C)n1 ZINC000096166856 132221765 /nfs/dbraw/zinc/22/17/65/132221765.db2.gz PFTDWZCAGAPFMO-UHFFFAOYSA-N 1 0 357.527 3.093 50 0 FGAARO C[C@@H](c1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1)[NH+]1CCCCC1 ZINC000097294785 132228481 /nfs/dbraw/zinc/22/84/81/132228481.db2.gz QAZNPKVZLBWTCO-SFHVURJKSA-N 1 0 365.525 3.442 50 0 FGAARO COc1ccc(F)cc1CC(=O)Nc1cc(C)cc(N2CC[NH+](C)CC2)c1 ZINC000241231134 132289522 /nfs/dbraw/zinc/28/95/22/132289522.db2.gz KSIYMWKJNBDCBN-UHFFFAOYSA-N 1 0 371.456 3.076 50 0 FGAARO Cc1cc([C@H]2CCCCN2CC[NH+]2CCN(c3ccccc3)CC2)no1 ZINC000243885813 132289663 /nfs/dbraw/zinc/28/96/63/132289663.db2.gz ACLSHESUIDDUHU-OAQYLSRUSA-N 1 0 354.498 3.332 50 0 FGAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](CCO)CC2)c1 ZINC000095519556 209073103 /nfs/dbraw/zinc/07/31/03/209073103.db2.gz IJZGCVNPWLGKOF-UHFFFAOYSA-N 1 0 354.450 3.005 50 0 FGAARO CCCOc1ccc(CNC(=O)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000033129043 136117645 /nfs/dbraw/zinc/11/76/45/136117645.db2.gz BPPBAGAGSTUUKC-UHFFFAOYSA-N 1 0 353.466 3.403 50 0 FGAARO O=C(CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCCCC1 ZINC000046502272 136122351 /nfs/dbraw/zinc/12/23/51/136122351.db2.gz FDCXMZKUGGMTSZ-UHFFFAOYSA-N 1 0 369.431 3.230 50 0 FGAARO O=C(C1=CCCCC1)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055283000 136126438 /nfs/dbraw/zinc/12/64/38/136126438.db2.gz ISCXCSOGVZOQKV-OAQYLSRUSA-N 1 0 371.500 3.439 50 0 FGAARO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)s1 ZINC000055568948 136127347 /nfs/dbraw/zinc/12/73/47/136127347.db2.gz CZMKRBJLQVIJMH-QGZVFWFLSA-N 1 0 372.538 3.486 50 0 FGAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000058391744 136131674 /nfs/dbraw/zinc/13/16/74/136131674.db2.gz OBIBDCYKDRLDPL-LJQANCHMSA-N 1 0 370.541 3.069 50 0 FGAARO Nc1nc(N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cc[nH+]1 ZINC000071780037 136141140 /nfs/dbraw/zinc/14/11/40/136141140.db2.gz PDMVZSSNSSHCDH-GFCCVEGCSA-N 1 0 350.344 3.177 50 0 FGAARO Fc1ccc(OCCC[NH+]2CCN(c3ccc4cc[nH]c4n3)CC2)cc1 ZINC000072422062 136146125 /nfs/dbraw/zinc/14/61/25/136146125.db2.gz QHENBTKSDXIEOF-UHFFFAOYSA-N 1 0 354.429 3.293 50 0 FGAARO O=C(N[C@H]1CC[C@H]1[NH2+]C1CCCCCC1)c1ccccc1N1CCOCC1 ZINC000072432677 136146921 /nfs/dbraw/zinc/14/69/21/136146921.db2.gz LDSCOIPTKJJGFU-UXHICEINSA-N 1 0 371.525 3.096 50 0 FGAARO O=C(Nc1cccc(-c2cnco2)c1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000095525757 209076307 /nfs/dbraw/zinc/07/63/07/209076307.db2.gz ALSQMLYOMGSRTA-SFHVURJKSA-N 1 0 370.453 3.060 50 0 FGAARO COc1cccc2c1OC[C@@H](Cc1ccc(C3(O)CC[NH2+]CC3)cc1)C2 ZINC000095526982 209076476 /nfs/dbraw/zinc/07/64/76/209076476.db2.gz RKXGSIGJDAEGKV-KRWDZBQOSA-N 1 0 353.462 3.060 50 0 FGAARO COc1ccc([C@@H]2CN(C(=O)CSc3ccccc3)C[C@H]2[NH+](C)C)cc1 ZINC000095528697 209078056 /nfs/dbraw/zinc/07/80/56/209078056.db2.gz GJXWXUUFAYCBLV-VQTJNVASSA-N 1 0 370.518 3.344 50 0 FGAARO CCOc1cccc(C(=O)NCC2([NH+]3CCN(CC)CC3)CCCCC2)c1 ZINC000028293565 493783788 /nfs/dbraw/zinc/78/37/88/493783788.db2.gz HCGHTIPBAYOFRN-UHFFFAOYSA-N 1 0 373.541 3.156 50 0 FGAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000048332014 493816755 /nfs/dbraw/zinc/81/67/55/493816755.db2.gz USRXOUHLZDVUEV-GPMSIDNRSA-N 1 0 362.539 3.201 50 0 FGAARO Cc1cc(NC(=O)[C@H](C)Nc2ccc(CC[NH+]3CCSCC3)cc2)on1 ZINC000057958253 493816981 /nfs/dbraw/zinc/81/69/81/493816981.db2.gz GOFWEZVCWNJJSZ-HNNXBMFYSA-N 1 0 374.510 3.013 50 0 FGAARO Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000057996679 493819883 /nfs/dbraw/zinc/81/98/83/493819883.db2.gz DDEXVUOHXOMRKE-UHFFFAOYSA-N 1 0 372.513 3.037 50 0 FGAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000002878850 493824422 /nfs/dbraw/zinc/82/44/22/493824422.db2.gz PWOZLHSFGXPZNH-SFHVURJKSA-N 1 0 372.852 3.121 50 0 FGAARO COc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(OC)cc3F)C2)cc1 ZINC000002966360 493826868 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Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000031701504 493956923 /nfs/dbraw/zinc/95/69/23/493956923.db2.gz ZNWIQSQGSTUWKM-SFHVURJKSA-N 1 0 367.493 3.461 50 0 FGAARO CCCC[N@H+](C)CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000061757693 493992448 /nfs/dbraw/zinc/99/24/48/493992448.db2.gz BHCVHBJPTGMTRI-UHFFFAOYSA-N 1 0 357.292 3.018 50 0 FGAARO C[C@H](CNC(=O)NC[C@@H]1CCN(c2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000061955755 493999346 /nfs/dbraw/zinc/99/93/46/493999346.db2.gz ONGUDBHLFFLSET-QRVBRYPASA-N 1 0 358.530 3.075 50 0 FGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(Br)cc2F)N1 ZINC000007127132 494002592 /nfs/dbraw/zinc/00/25/92/494002592.db2.gz JBSGRKHHFAHGQY-CYBMUJFWSA-N 1 0 360.190 3.034 50 0 FGAARO O=C(NC1CC1)c1cc(N2CC[NH+](C3CCCC3)CC2)nc2ccccc21 ZINC000032779330 494016171 /nfs/dbraw/zinc/01/61/71/494016171.db2.gz JVRVMFOFZOYOPG-UHFFFAOYSA-N 1 0 364.493 3.192 50 0 FGAARO Cc1ccc(OC2(C(=O)N[C@@H](C)CCc3ccco3)CC[NH2+]CC2)cc1 ZINC000077337568 494060399 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Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CC(C)(C)CN3CCOCC3)nc2c1 ZINC000077472391 494089719 /nfs/dbraw/zinc/08/97/19/494089719.db2.gz WONCGMBWRALOMR-LJQANCHMSA-N 1 0 356.514 3.367 50 0 FGAARO Cc1cc(S(=O)(=O)N(CC(C)C)C2CC[NH+](C)CC2)c(F)cc1F ZINC000084661682 494090347 /nfs/dbraw/zinc/09/03/47/494090347.db2.gz UKDXJYCSYAEZBI-UHFFFAOYSA-N 1 0 360.470 3.014 50 0 FGAARO CC(=O)c1ccc(C(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)s1 ZINC000077484835 494093050 /nfs/dbraw/zinc/09/30/50/494093050.db2.gz HBEUPHYAJNOIPQ-UHFFFAOYSA-N 1 0 357.479 3.082 50 0 FGAARO CC(C)[C@@H]1CN(C(=O)c2ccccc2-c2nc[nH]n2)CCC[N@@H+]1CC1CC1 ZINC000071760992 494099232 /nfs/dbraw/zinc/09/92/32/494099232.db2.gz FTWHYTVBCSCSAF-IBGZPJMESA-N 1 0 367.497 3.054 50 0 FGAARO CCN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)C(C)C ZINC000071765074 494100496 /nfs/dbraw/zinc/10/04/96/494100496.db2.gz NHWQRXOZPTWVMS-HXUWFJFHSA-N 1 0 372.557 3.015 50 0 FGAARO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)n(C)n1 ZINC000071779827 494101338 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CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2ccc(C)cc2Cl)n1 ZINC000072119268 494127821 /nfs/dbraw/zinc/12/78/21/494127821.db2.gz GKIUESKYDWKDCL-UHFFFAOYSA-N 1 0 362.865 3.412 50 0 FGAARO C[C@@H]1CN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CC[NH2+]1 ZINC000072140392 494132454 /nfs/dbraw/zinc/13/24/54/494132454.db2.gz MUMQSFAFWCJZNX-MRXNPFEDSA-N 1 0 363.465 3.105 50 0 FGAARO CCCN(Cc1nccn1C)C(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072142117 494133585 /nfs/dbraw/zinc/13/35/85/494133585.db2.gz CKUXCKOPHRIUCZ-UHFFFAOYSA-N 1 0 354.498 3.015 50 0 FGAARO c1ccc(-c2ncc(CN3CCC[N@H+](Cc4cccnc4)CC3)cn2)cc1 ZINC000072151927 494135733 /nfs/dbraw/zinc/13/57/33/494135733.db2.gz DQMLFYUVJLAZOE-UHFFFAOYSA-N 1 0 359.477 3.247 50 0 FGAARO Cc1ccc(Sc2ccc(C[N@H+]3C[C@@H]4C[C@H](O)[C@@H](O)C[C@@H]4C3)o2)cc1 ZINC000072160916 494139796 /nfs/dbraw/zinc/13/97/96/494139796.db2.gz JMYASIOODZFTRP-QXGSTGNESA-N 1 0 359.491 3.303 50 0 FGAARO c1cnn(Cc2ccccc2C[N@@H+]2CCCN(Cc3ccncc3)CC2)c1 ZINC000072168046 494141770 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O=C(c1c[nH]nc1-c1ccccc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000072434367 494175308 /nfs/dbraw/zinc/17/53/08/494175308.db2.gz XVZGRNCNOOFJJB-UHFFFAOYSA-N 1 0 366.490 3.486 50 0 FGAARO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)cc1 ZINC000072434349 494175450 /nfs/dbraw/zinc/17/54/50/494175450.db2.gz HJCIAJDEFFRHNR-HXUWFJFHSA-N 1 0 367.541 3.489 50 0 FGAARO Cc1ccc(CCN2C(=O)CC[C@H]3C[N@@H+](Cc4cccnc4)CC[C@H]32)o1 ZINC000072462788 494177981 /nfs/dbraw/zinc/17/79/81/494177981.db2.gz GRGHEZCFIPULBW-AZUAARDMSA-N 1 0 353.466 3.039 50 0 FGAARO COc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1Cn1cncn1 ZINC000072472843 494178929 /nfs/dbraw/zinc/17/89/29/494178929.db2.gz FVHINTNGGCYFGI-KRWDZBQOSA-N 1 0 366.440 3.464 50 0 FGAARO Nc1ncccc1C[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072470544 494179305 /nfs/dbraw/zinc/17/93/05/494179305.db2.gz OVDQXDDWDLMXSA-QFIPXVFZSA-N 1 0 364.493 3.069 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1Br ZINC000053990174 494181361 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CN(C[C@H]1CCC[NH2+]C1)C(=O)c1ccc(CSc2ccccn2)cc1 ZINC000065397913 494193738 /nfs/dbraw/zinc/19/37/38/494193738.db2.gz HQLJJIOSMDXTNV-KRWDZBQOSA-N 1 0 355.507 3.446 50 0 FGAARO O=C(C[NH2+]Cc1cccc(-n2cccn2)c1)Nc1ccc(Cl)cc1F ZINC000065421328 494195349 /nfs/dbraw/zinc/19/53/49/494195349.db2.gz LRTPAPWQJSYABO-UHFFFAOYSA-N 1 0 358.804 3.393 50 0 FGAARO CC(C)Cn1c2ccccc2nc1CN1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000065453940 494199347 /nfs/dbraw/zinc/19/93/47/494199347.db2.gz RIKSLKLMGRVERX-IBGZPJMESA-N 1 0 370.541 3.113 50 0 FGAARO CC1=CC[C@@H]2C[N@@H+](Cc3ccc(C(=O)Nc4cnn(C)c4)cc3)C[C@@H]2C1 ZINC000065455059 494199502 /nfs/dbraw/zinc/19/95/02/494199502.db2.gz ISRIWLGLMUTAGV-MOPGFXCFSA-N 1 0 350.466 3.461 50 0 FGAARO Fc1ccccc1CN1CCC([NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000054175985 494203768 /nfs/dbraw/zinc/20/37/68/494203768.db2.gz HDAOOQCSSQIPHT-UHFFFAOYSA-N 1 0 356.441 3.351 50 0 FGAARO [NH3+]CCc1nc2ccccc2c(N(Cc2cccnc2)Cc2cccnc2)n1 ZINC000065526752 494210271 /nfs/dbraw/zinc/21/02/71/494210271.db2.gz 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CC(=O)c1cc(CC(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cs1 ZINC000012718574 494252325 /nfs/dbraw/zinc/25/23/25/494252325.db2.gz QAGZPCQGVCTIBY-LJQANCHMSA-N 1 0 370.518 3.317 50 0 FGAARO C[C@@H]1C[NH+](CCCNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C[C@@H](C)O1 ZINC000012930000 494271544 /nfs/dbraw/zinc/27/15/44/494271544.db2.gz ZVTXJEGVOKYFCV-HZPDHXFCSA-N 1 0 369.509 3.276 50 0 FGAARO C[C@H]1CCCC[C@@H]1[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000054991985 494289182 /nfs/dbraw/zinc/28/91/82/494289182.db2.gz PDHLQUNPOUNMNZ-YOEHRIQHSA-N 1 0 356.919 3.225 50 0 FGAARO COc1cc(Cl)c(C)cc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000043349386 494290080 /nfs/dbraw/zinc/29/00/80/494290080.db2.gz KIVMKCLCCYISST-UHFFFAOYSA-N 1 0 360.845 3.406 50 0 FGAARO Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccn(C)n3)sc2c(C)c1 ZINC000013667362 494292415 /nfs/dbraw/zinc/29/24/15/494292415.db2.gz BRTUCWOWPAQBQV-UHFFFAOYSA-N 1 0 371.510 3.245 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1N1CCCC1 ZINC000014168016 494308431 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CCC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)C3CCCC3)CC2)[C@H]1O ZINC000020206649 494468675 /nfs/dbraw/zinc/46/86/75/494468675.db2.gz DBHHBYUJJNHWKZ-RTWAWAEBSA-N 1 0 370.537 3.494 50 0 FGAARO C[C@@H](NC(=S)NC1CCCCC1)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022027285 494513297 /nfs/dbraw/zinc/51/32/97/494513297.db2.gz VKSBBIVKECNHLR-YLJYHZDGSA-N 1 0 374.598 3.160 50 0 FGAARO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCN(C)C)cc1 ZINC000022095935 494514720 /nfs/dbraw/zinc/51/47/20/494514720.db2.gz VWNSIGDYHARVRZ-UHFFFAOYSA-N 1 0 364.493 3.258 50 0 FGAARO O=C(CCN1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1F ZINC000022200145 494517425 /nfs/dbraw/zinc/51/74/25/494517425.db2.gz UQMPKKUOLFOIHV-UHFFFAOYSA-N 1 0 355.457 3.015 50 0 FGAARO COc1ccccc1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000022772979 494533675 /nfs/dbraw/zinc/53/36/75/494533675.db2.gz IBWKCPCAHZTJIB-UHFFFAOYSA-N 1 0 350.212 3.476 50 0 FGAARO COc1cc(C[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000022818765 494537544 /nfs/dbraw/zinc/53/75/44/494537544.db2.gz 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ZINC000023197248 494555567 /nfs/dbraw/zinc/55/55/67/494555567.db2.gz YAXALNFKTQKGAA-LJQANCHMSA-N 1 0 370.493 3.143 50 0 FGAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCc2[nH]nc(-c3ccc(F)cc3F)c2C1 ZINC000023214106 494556276 /nfs/dbraw/zinc/55/62/76/494556276.db2.gz ZTCKQDDNJLTLCC-SFHVURJKSA-N 1 0 374.435 3.114 50 0 FGAARO C[C@H](O)c1cn(C2CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)nn1 ZINC000023542378 494571541 /nfs/dbraw/zinc/57/15/41/494571541.db2.gz IJCZBLTVBMCOCL-INIZCTEOSA-N 1 0 363.465 3.231 50 0 FGAARO Cc1ccc(C[NH+]2CCC(n3cc([C@H](O)c4ccccc4)nn3)CC2)o1 ZINC000023619524 494572812 /nfs/dbraw/zinc/57/28/12/494572812.db2.gz VPYKJWRIHKWPHX-HXUWFJFHSA-N 1 0 352.438 3.098 50 0 FGAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000023678767 494575389 /nfs/dbraw/zinc/57/53/89/494575389.db2.gz PNPNPQJDGMFNNW-SIKLNZKXSA-N 1 0 369.461 3.378 50 0 FGAARO [NH3+]CCC(=O)N1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067677288 494605899 /nfs/dbraw/zinc/60/58/99/494605899.db2.gz NADRELXSUJEZGU-UHFFFAOYSA-N 1 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497311311 /nfs/dbraw/zinc/31/13/11/497311311.db2.gz UROMAWDNDRPLMD-IMFGXOCKSA-N 1 0 370.518 3.455 50 0 FGAARO O=C(c1cccs1)N1CCC([NH2+][C@@H](c2ccccc2)[C@H]2C[C@@H](O)C2)CC1 ZINC000252552405 497311851 /nfs/dbraw/zinc/31/18/51/497311851.db2.gz UROMAWDNDRPLMD-HQRMLTQVSA-N 1 0 370.518 3.455 50 0 FGAARO O=C1[C@@H]2CC[C@@H](c3ccccc3)N2C(=O)N1[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000253398727 497331926 /nfs/dbraw/zinc/33/19/26/497331926.db2.gz OBNGXAXBXALLKQ-FHWLQOOXSA-N 1 0 353.466 3.171 50 0 FGAARO Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)NCC1CC[NH+](C)CC1 ZINC000240244204 497351645 /nfs/dbraw/zinc/35/16/45/497351645.db2.gz DKWRXCWRRPBLGT-MRXNPFEDSA-N 1 0 355.486 3.264 50 0 FGAARO COc1cc(C(F)(F)F)ncc1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000242183875 497353371 /nfs/dbraw/zinc/35/33/71/497353371.db2.gz XCQVPKDCTXWQEL-UHFFFAOYSA-N 1 0 360.380 3.105 50 0 FGAARO COc1ccccc1CC(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000243893559 497362406 /nfs/dbraw/zinc/36/24/06/497362406.db2.gz ASCJJLQCZSFGTG-LJQANCHMSA-N 1 0 352.478 3.152 50 0 FGAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCCN(C(=O)C4CCC4)CC3)c2)n1 ZINC000244707851 497367401 /nfs/dbraw/zinc/36/74/01/497367401.db2.gz KISSXVJYIVKMQJ-UHFFFAOYSA-N 1 0 366.509 3.324 50 0 FGAARO CCN(CCc1nc2cc(OC)ccc2[nH]1)Cc1nnc(-c2ccco2)o1 ZINC000244794913 497369628 /nfs/dbraw/zinc/36/96/28/497369628.db2.gz QWGSGHBAEGRARV-UHFFFAOYSA-N 1 0 367.409 3.279 50 0 FGAARO Cc1ccc(CN(C)CC(=O)N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)cc1 ZINC000244795603 497370248 /nfs/dbraw/zinc/37/02/48/497370248.db2.gz RJQBATQZIKKQSA-FUHIMQAGSA-N 1 0 358.507 3.117 50 0 FGAARO Cc1ccccc1C[NH+]1CCC2(CC1)C[C@](O)(c1ccccn1)CCO2 ZINC000257174328 497382810 /nfs/dbraw/zinc/38/28/10/497382810.db2.gz FQLLNJXSRJPPTQ-QFIPXVFZSA-N 1 0 352.478 3.423 50 0 FGAARO COCCO[C@H]1C[N@H+](C2CCN(Cc3ccncc3)CC2)C12CCCCC2 ZINC000257186784 497386365 /nfs/dbraw/zinc/38/63/65/497386365.db2.gz ZTTBZXUBBMRTKB-NRFANRHFSA-N 1 0 373.541 3.096 50 0 FGAARO Cc1cnc(-c2cccnc2)n1CC1CCN(C(=O)c2ccco2)CC1 ZINC000257188603 497387210 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NC(=O)C1(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)CCCCCC1 ZINC000299778643 497920957 /nfs/dbraw/zinc/92/09/57/497920957.db2.gz MZZOLLDRXAWEHW-UHFFFAOYSA-N 1 0 371.525 3.371 50 0 FGAARO O=C1C[C@@H](C[NH+]2CCC(OCc3cccnc3)CC2)CN1c1ccccc1 ZINC000299793226 497925064 /nfs/dbraw/zinc/92/50/64/497925064.db2.gz HIIKZEWYTAWGPA-IBGZPJMESA-N 1 0 365.477 3.116 50 0 FGAARO CC(C)=CCC[C@H](C)C[N@@H+]1CCn2nc(CNc3ncccn3)cc2C1 ZINC000299791124 497925519 /nfs/dbraw/zinc/92/55/19/497925519.db2.gz BZMFCHPDJADYDE-KRWDZBQOSA-N 1 0 354.502 3.483 50 0 FGAARO CCN1CCC(CNC(=O)Nc2cc(C)ccc2Cl)([NH+](C)C)CC1 ZINC000299798080 497926918 /nfs/dbraw/zinc/92/69/18/497926918.db2.gz PAJFNBWSBXJYSN-UHFFFAOYSA-N 1 0 352.910 3.186 50 0 FGAARO C[C@@H]1Cc2cc(NC(=O)N3CCC([NH+]4CCSCC4)CC3)ccc2O1 ZINC000299800278 497928096 /nfs/dbraw/zinc/92/80/96/497928096.db2.gz XLMDIUBQYICONL-CQSZACIVSA-N 1 0 361.511 3.055 50 0 FGAARO CC(C)C[N@H+](C1CN(C(=O)CCCc2ccccc2)C1)C1CCN(C)CC1 ZINC000575315895 505959796 /nfs/dbraw/zinc/95/97/96/505959796.db2.gz PCQLFGMCZKUWGH-UHFFFAOYSA-N 1 0 371.569 3.272 50 0 FGAARO Cc1cccc(CC2(O)CCN(C(=O)c3ccccc3C[NH+](C)C)CC2)c1 ZINC000366242452 498836856 /nfs/dbraw/zinc/83/68/56/498836856.db2.gz QZBDUQUNLQRSEJ-UHFFFAOYSA-N 1 0 366.505 3.266 50 0 FGAARO CC(C)(CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1=CCCC1 ZINC000333607166 499040984 /nfs/dbraw/zinc/04/09/84/499040984.db2.gz DNGQIBVSQNXCCS-OALUTQOASA-N 1 0 363.546 3.190 50 0 FGAARO C[C@H]([NH2+]C[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C)c1cncc(F)c1 ZINC000284401159 499101858 /nfs/dbraw/zinc/10/18/58/499101858.db2.gz BEAWUVXQUQGIOY-AUSJPIAWSA-N 1 0 357.477 3.221 50 0 FGAARO CO[C@H](C)c1nsc(N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)n1 ZINC000375699000 499546836 /nfs/dbraw/zinc/54/68/36/499546836.db2.gz WBZXFANKMFXVPP-ZBFHGGJFSA-N 1 0 361.515 3.131 50 0 FGAARO C[N@@H+]1CCCN(C(=O)NCc2cccc(OCc3ccccc3)c2)CC1 ZINC000410381145 499658861 /nfs/dbraw/zinc/65/88/61/499658861.db2.gz IGWNMAAXJXDBHA-UHFFFAOYSA-N 1 0 353.466 3.113 50 0 FGAARO CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)c1ccc(-c2ccc(CCO)cc2)cc1 ZINC000426530542 500285885 /nfs/dbraw/zinc/28/58/85/500285885.db2.gz SMCHZMGXAXSIPZ-HSZRJFAPSA-N 1 0 366.505 3.302 50 0 FGAARO COCC1CCN(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000426574687 500291017 /nfs/dbraw/zinc/29/10/17/500291017.db2.gz HWTDNXQYJSQLHV-UHFFFAOYSA-N 1 0 373.541 3.009 50 0 FGAARO C[N@@H+]1CCCN(C(=O)N[C@H](c2ccncc2)c2ccc(Cl)cc2)CC1 ZINC000426612756 500295066 /nfs/dbraw/zinc/29/50/66/500295066.db2.gz ZIXYEGOICNBCDH-SFHVURJKSA-N 1 0 358.873 3.172 50 0 FGAARO Cc1nc(NCC[NH+]2CCC(c3ccccc3)CC2)cc([C@H]2CCOC2)n1 ZINC000426674185 500304674 /nfs/dbraw/zinc/30/46/74/500304674.db2.gz KNMALURIBPVMQZ-FQEVSTJZSA-N 1 0 366.509 3.002 50 0 FGAARO CO[C@]12CC[N@H+](Cc3cccc(C)n3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426728344 500311532 /nfs/dbraw/zinc/31/15/32/500311532.db2.gz XADUJQIMGUQNQQ-SVFBPWRDSA-N 1 0 353.466 3.376 50 0 FGAARO OC1(C[NH2+]Cc2ncc(Cl)cc2Br)Cc2ccccc2C1 ZINC000527663523 503884310 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COCCOc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000078801226 524047763 /nfs/dbraw/zinc/04/77/63/524047763.db2.gz WVOCSSIITIJDPE-AWEZNQCLSA-N 1 0 369.893 3.171 50 0 FGAARO C[C@H](CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000252457225 524419943 /nfs/dbraw/zinc/41/99/43/524419943.db2.gz ONGUDBHLFFLSET-GUDVDZBRSA-N 1 0 358.530 3.075 50 0 FGAARO C[C@@H](NC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1)c1ccccc1Cl ZINC000089905820 525113940 /nfs/dbraw/zinc/11/39/40/525113940.db2.gz TXWBLUINTJLYJJ-KUHUBIRLSA-N 1 0 352.906 3.438 50 0 FGAARO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000089478800 525562914 /nfs/dbraw/zinc/56/29/14/525562914.db2.gz DTMCPMMIPNSTKJ-KBXCAEBGSA-N 1 0 352.434 3.087 50 0 FGAARO Cc1ccsc1[C@@H](CNC(=O)c1ccc(-c2cc[nH]n2)cc1)[NH+](C)C ZINC000091445145 525870927 /nfs/dbraw/zinc/87/09/27/525870927.db2.gz VLFLVBLNZULHJK-QGZVFWFLSA-N 1 0 354.479 3.479 50 0 FGAARO Cc1nnsc1C[N@@H+]1CCC[C@H](c2nccn2Cc2ccccc2)C1 ZINC000082139036 526447068 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Cc1ccc(-c2cc3n(n2)[C@H]([NH2+]CCCc2ccccc2)CNC3=O)cc1 ZINC000263617025 571046715 /nfs/dbraw/zinc/04/67/15/571046715.db2.gz LSLPHVIGAJNBSZ-NRFANRHFSA-N 1 0 360.461 3.323 50 0 FGAARO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccc2ncsc2c1 ZINC000659355663 571165528 /nfs/dbraw/zinc/16/55/28/571165528.db2.gz PYHHDIJOKVWBJH-RDJZCZTQSA-N 1 0 355.438 3.311 50 0 FGAARO CC[C@@H]1c2cccn2CCN1C(=O)c1ccc(Cl)cc1OCCC[NH3+] ZINC000426398045 571219669 /nfs/dbraw/zinc/21/96/69/571219669.db2.gz KVIBHDKQVPAUPZ-MRXNPFEDSA-N 1 0 361.873 3.476 50 0 FGAARO CCOC(=O)c1ccc(-c2cccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)c2)s1 ZINC000426410760 571221577 /nfs/dbraw/zinc/22/15/77/571221577.db2.gz VPRHSHOWLGKDEO-JKSUJKDBSA-N 1 0 370.474 3.026 50 0 FGAARO Cc1cccc2[nH]c(CCN(C)C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)nc21 ZINC000426431068 571224511 /nfs/dbraw/zinc/22/45/11/571224511.db2.gz KZWVCTHYYJJLOQ-KRWDZBQOSA-N 1 0 371.529 3.176 50 0 FGAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)c3ccc(-c4cc(F)c(F)cc4O)cc3)C[C@H]12 ZINC000426438969 571225278 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C[NH+](C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2 ZINC000004907815 493899905 /nfs/dbraw/zinc/89/99/05/493899905.db2.gz BGXNUWNHJBNHOJ-UHFFFAOYSA-N 1 0 355.507 3.090 50 0 FGAARO C[NH+]1CCN(c2ccc3c4c2cccc4C(=O)N(c2ccccc2)C3=O)CC1 ZINC000005577318 493936127 /nfs/dbraw/zinc/93/61/27/493936127.db2.gz MBLJVDDZHJPGJS-UHFFFAOYSA-N 1 0 371.440 3.392 50 0 FGAARO Cc1oc2cc3oc(=O)c(CC(=O)NCCC[NH+](C)C)c(C)c3cc2c1C ZINC000006623716 493971064 /nfs/dbraw/zinc/97/10/64/493971064.db2.gz FWTRZRHNXQFVJN-UHFFFAOYSA-N 1 0 370.449 3.075 50 0 FGAARO CC(C)N1C[C@@]2(CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)CCC1=O ZINC000082108417 493978548 /nfs/dbraw/zinc/97/85/48/493978548.db2.gz XRUHEFCHBSKAFM-QFIPXVFZSA-N 1 0 366.509 3.485 50 0 FGAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CN1CCCO ZINC000082156728 493980743 /nfs/dbraw/zinc/98/07/43/493980743.db2.gz JVMBQZHLCGFHCA-IBGZPJMESA-N 1 0 368.880 3.066 50 0 FGAARO COc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OCC(C)C ZINC000007126331 494002548 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c1ccc(-c2ccnc(CC[NH2+][C@@H]3CCOC4(CCOCC4)C3)n2)cc1 ZINC000077452104 494085925 /nfs/dbraw/zinc/08/59/25/494085925.db2.gz IXMJVCDQNMAKSJ-GOSISDBHSA-N 1 0 353.466 3.004 50 0 FGAARO COc1ccccc1C[N@H+]1C[C@@H](c2ccc(C)cc2)[C@H](NC(=O)C2CC2)C1 ZINC000077452823 494086455 /nfs/dbraw/zinc/08/64/55/494086455.db2.gz VJADFCCAXLLKIQ-LEWJYISDSA-N 1 0 364.489 3.498 50 0 FGAARO COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077469841 494088112 /nfs/dbraw/zinc/08/81/12/494088112.db2.gz XRWKOXIVJGASAV-JOCHJYFZSA-N 1 0 374.525 3.016 50 0 FGAARO O=C(C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)N[C@H]1CCOc2ccccc21 ZINC000053076211 494089504 /nfs/dbraw/zinc/08/95/04/494089504.db2.gz IWUMTLKBWMBLAK-QUCCMNQESA-N 1 0 368.452 3.473 50 0 FGAARO CCN(C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C(C)C ZINC000071730315 494095300 /nfs/dbraw/zinc/09/53/00/494095300.db2.gz MDWYIJUPOQVFJS-FQEVSTJZSA-N 1 0 372.557 3.015 50 0 FGAARO Cc1nc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)cc(-n2cccn2)n1 ZINC000071746054 494096971 /nfs/dbraw/zinc/09/69/71/494096971.db2.gz ZPDDXQZRTICNOU-SFHVURJKSA-N 1 0 363.465 3.418 50 0 FGAARO CC(C)[C@H]1C[N@H+](Cc2ccccn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071752252 494097586 /nfs/dbraw/zinc/09/75/86/494097586.db2.gz JGSUEINEEPZNCF-HXUWFJFHSA-N 1 0 355.457 3.480 50 0 FGAARO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc1 ZINC000084798573 494097964 /nfs/dbraw/zinc/09/79/64/494097964.db2.gz NYHOIHSZRVTLSJ-UHFFFAOYSA-N 1 0 357.429 3.110 50 0 FGAARO Cc1cc(C[NH+]2CCC([C@@H](O)c3cccs3)CC2)c(C)n1-n1cnnc1 ZINC000071749634 494098092 /nfs/dbraw/zinc/09/80/92/494098092.db2.gz WAXYIPUTHICWCB-LJQANCHMSA-N 1 0 371.510 3.015 50 0 FGAARO COc1ccc(F)c(-c2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)c(C)o2)c1 ZINC000071761304 494099483 /nfs/dbraw/zinc/09/94/83/494099483.db2.gz WKMHYHKPNCADRB-OAHLLOKOSA-N 1 0 359.445 3.468 50 0 FGAARO O=C(Nc1cccc(Cn2cccn2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071808617 494102189 /nfs/dbraw/zinc/10/21/89/494102189.db2.gz YJJNHQALEAUWHE-IBGZPJMESA-N 1 0 353.470 3.024 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(OC)c3)c(C)c2)CC1 ZINC000008747416 494103154 /nfs/dbraw/zinc/10/31/54/494103154.db2.gz DFIPACSVJYCOPY-UHFFFAOYSA-N 1 0 353.466 3.398 50 0 FGAARO O=C1CC[N@@H+](Cc2ccccn2)CCN1Cc1ccccc1C(F)(F)F ZINC000064058481 494104232 /nfs/dbraw/zinc/10/42/32/494104232.db2.gz GRDYPOQUEPPKCE-UHFFFAOYSA-N 1 0 363.383 3.335 50 0 FGAARO O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038853660 494118795 /nfs/dbraw/zinc/11/87/95/494118795.db2.gz VXMDKCVXSDJXRD-KRWDZBQOSA-N 1 0 352.434 3.309 50 0 FGAARO O=S(=O)(NC1CC[NH+](CCCc2ccccc2)CC1)c1cccs1 ZINC000040024256 494126904 /nfs/dbraw/zinc/12/69/04/494126904.db2.gz IHOLQRURQPJMJA-UHFFFAOYSA-N 1 0 364.536 3.124 50 0 FGAARO C[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccc(N2CCNC2=O)cc1 ZINC000072119501 494128476 /nfs/dbraw/zinc/12/84/76/494128476.db2.gz BKJFACUZINYKCR-UHFFFAOYSA-N 1 0 361.449 3.034 50 0 FGAARO COCc1ncc(C[N@@H+]2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)cn1 ZINC000072129079 494129416 /nfs/dbraw/zinc/12/94/16/494129416.db2.gz ZKCDBBWLGLWXSG-MRXNPFEDSA-N 1 0 351.454 3.187 50 0 FGAARO COc1ccc2c(c1)n[nH]c2C[NH+]1CCC(OCc2cccnc2)CC1 ZINC000072129244 494129764 /nfs/dbraw/zinc/12/97/64/494129764.db2.gz AWUIMABAAOGSAW-UHFFFAOYSA-N 1 0 352.438 3.148 50 0 FGAARO C(c1noc(C2CC2)n1)C1CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000072129773 494130948 /nfs/dbraw/zinc/13/09/48/494130948.db2.gz WPRHXTWIRMOLFN-RBUKOAKNSA-N 1 0 358.530 3.466 50 0 FGAARO c1ccc(CCCc2noc(-c3ccc(NC[C@H]4CCC[NH2+]4)nc3)n2)cc1 ZINC000072146395 494134383 /nfs/dbraw/zinc/13/43/83/494134383.db2.gz JOZOGFOPDPPCHU-GOSISDBHSA-N 1 0 363.465 3.471 50 0 FGAARO CCc1cc(N2C[C@@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ncn1 ZINC000072147975 494134988 /nfs/dbraw/zinc/13/49/88/494134988.db2.gz NLLLXCNWYIEPDM-KSEOMHKRSA-N 1 0 364.493 3.114 50 0 FGAARO CCCc1nc2c(cnn2C)c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000072154089 494137294 /nfs/dbraw/zinc/13/72/94/494137294.db2.gz RVQQUPYAWBHPFF-INIZCTEOSA-N 1 0 350.470 3.002 50 0 FGAARO Cc1ccc(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)nn1 ZINC000072168258 494141916 /nfs/dbraw/zinc/14/19/16/494141916.db2.gz XSPOJWWSRSHZTG-CDHQVMDDSA-N 1 0 356.420 3.130 50 0 FGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCc1cn(C)nc1-c1ccccc1 ZINC000064860978 494155987 /nfs/dbraw/zinc/15/59/87/494155987.db2.gz XDNSFISAUYKJKU-KRWDZBQOSA-N 1 0 354.498 3.010 50 0 FGAARO Cn1ccnc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072411540 494166590 /nfs/dbraw/zinc/16/65/90/494166590.db2.gz LUPTVYXEXZNHBY-LJQANCHMSA-N 1 0 369.509 3.219 50 0 FGAARO CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000072410222 494166712 /nfs/dbraw/zinc/16/67/12/494166712.db2.gz GFHFIKZWROKJQR-HXUWFJFHSA-N 1 0 360.461 3.221 50 0 FGAARO Cc1[nH]c2c(cccc2C(=O)N2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c1C ZINC000072470599 494178793 /nfs/dbraw/zinc/17/87/93/494178793.db2.gz JHEHLTUQUILDSU-GOSISDBHSA-N 1 0 369.509 3.236 50 0 FGAARO COc1ccc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cc1O ZINC000072473270 494178957 /nfs/dbraw/zinc/17/89/57/494178957.db2.gz CVMXAMLKFPSFSS-FQEVSTJZSA-N 1 0 352.478 3.076 50 0 FGAARO CN(C)Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)n1C ZINC000072473940 494180482 /nfs/dbraw/zinc/18/04/82/494180482.db2.gz MJBRUOAKMKDWBK-CQSZACIVSA-N 1 0 365.884 3.049 50 0 FGAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1cccc(Cl)c1 ZINC000011697783 494188546 /nfs/dbraw/zinc/18/85/46/494188546.db2.gz GXEZHDDTLSOILJ-UHFFFAOYSA-N 1 0 368.828 3.111 50 0 FGAARO CCOc1ccccc1-c1nc(C[N@H+](C)C[C@@H]2CC(=O)N(CC)C2)c(C)o1 ZINC000011753583 494190264 /nfs/dbraw/zinc/19/02/64/494190264.db2.gz GRRVFVJZSRQIOQ-INIZCTEOSA-N 1 0 371.481 3.349 50 0 FGAARO Cc1cc2ccccc2n1CCn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065372778 494191066 /nfs/dbraw/zinc/19/10/66/494191066.db2.gz GHVVUHQKBNHSQY-UHFFFAOYSA-N 1 0 364.474 3.067 50 0 FGAARO C[N@@H+]1CCCC[C@H]1CCc1nc(C2CC2)nn1-c1ccc2c(c1)OCO2 ZINC000065381029 494191103 /nfs/dbraw/zinc/19/11/03/494191103.db2.gz KTGCBACDCRCRRP-HNNXBMFYSA-N 1 0 354.454 3.290 50 0 FGAARO CCOC(=O)N1CCC([NH2+][C@@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000065425863 494196844 /nfs/dbraw/zinc/19/68/44/494196844.db2.gz FQCUVXJURZXCNW-AWEZNQCLSA-N 1 0 358.442 3.317 50 0 FGAARO CCOc1ccc(OCC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000065565089 494214063 /nfs/dbraw/zinc/21/40/63/494214063.db2.gz JDPKZBSMYZRTIC-LJQANCHMSA-N 1 0 368.477 3.245 50 0 FGAARO CN(Cc1ccsc1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012326187 494224330 /nfs/dbraw/zinc/22/43/30/494224330.db2.gz NEXTWAOEPIBLFS-QGZVFWFLSA-N 1 0 371.506 3.057 50 0 FGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccnc(N)c3)C2)cc1 ZINC000012718753 494251645 /nfs/dbraw/zinc/25/16/45/494251645.db2.gz NIBNCHTYXSWSIC-HXUWFJFHSA-N 1 0 366.509 3.257 50 0 FGAARO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)cc1 ZINC000012752801 494254311 /nfs/dbraw/zinc/25/43/11/494254311.db2.gz PCVABUZUKJDWAY-CVEARBPZSA-N 1 0 371.456 3.270 50 0 FGAARO CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012766977 494256753 /nfs/dbraw/zinc/25/67/53/494256753.db2.gz OSNALIUGMWHYTK-KRWDZBQOSA-N 1 0 351.450 3.000 50 0 FGAARO CCC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000012777460 494257669 /nfs/dbraw/zinc/25/76/69/494257669.db2.gz PCQKKLFPHWUDOG-IBGZPJMESA-N 1 0 352.482 3.356 50 0 FGAARO Cn1nccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012835081 494263450 /nfs/dbraw/zinc/26/34/50/494263450.db2.gz BYERAWSTQGYHCC-NRFANRHFSA-N 1 0 358.530 3.319 50 0 FGAARO C[NH+](C)Cc1ccc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000012992891 494274915 /nfs/dbraw/zinc/27/49/15/494274915.db2.gz UCGUEHAXOYJPIK-UHFFFAOYSA-N 1 0 374.488 3.353 50 0 FGAARO CCC(C)(C)[NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000013020521 494276169 /nfs/dbraw/zinc/27/61/69/494276169.db2.gz BSWBPNVBPRTUEX-CYBMUJFWSA-N 1 0 357.376 3.071 50 0 FGAARO COc1ccc(CNC(=S)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000013056149 494277266 /nfs/dbraw/zinc/27/72/66/494277266.db2.gz BHCORPMEDWELDK-HXUWFJFHSA-N 1 0 369.534 3.496 50 0 FGAARO CC[C@H](CO)[N@H+](Cc1ccco1)Cc1cc(Cn2cncn2)c(C)cc1C ZINC000055054312 494294735 /nfs/dbraw/zinc/29/47/35/494294735.db2.gz PTHUFYPDIQJTDO-HXUWFJFHSA-N 1 0 368.481 3.309 50 0 FGAARO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000055054685 494295243 /nfs/dbraw/zinc/29/52/43/494295243.db2.gz PZOCCENWASEUDP-OAHLLOKOSA-N 1 0 370.472 3.439 50 0 FGAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000013806283 494296342 /nfs/dbraw/zinc/29/63/42/494296342.db2.gz WYBGZMDVIQTODN-CHWSQXEVSA-N 1 0 373.453 3.022 50 0 FGAARO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)cc(OC)c1OC ZINC000014085975 494302275 /nfs/dbraw/zinc/30/22/75/494302275.db2.gz PIMZVZOPFWOISV-KRWDZBQOSA-N 1 0 370.449 3.488 50 0 FGAARO COC(C)(C)CCC[C@H](C)CC[NH+]1CCC(n2cc(CO)nn2)CC1 ZINC000055167678 494308612 /nfs/dbraw/zinc/30/86/12/494308612.db2.gz ZLEPEEDCHIWBAC-INIZCTEOSA-N 1 0 352.523 3.029 50 0 FGAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3cccn3-c3ncccn3)C2)cc1 ZINC000014951025 494330417 /nfs/dbraw/zinc/33/04/17/494330417.db2.gz PJLVCRDEOOIDNN-SFHVURJKSA-N 1 0 351.429 3.483 50 0 FGAARO C[N@H+](C[C@H](O)COc1ccccc1CN1CCCCO1)C1CCCCC1 ZINC000014970085 494332292 /nfs/dbraw/zinc/33/22/92/494332292.db2.gz UPJDGVJOPKYBJU-FQEVSTJZSA-N 1 0 362.514 3.218 50 0 FGAARO O=C(NC1CCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000015073394 494336377 /nfs/dbraw/zinc/33/63/77/494336377.db2.gz QCUPZNBIXISEMG-HXUWFJFHSA-N 1 0 369.553 3.422 50 0 FGAARO Cc1ccc2nc(C)c(C(=O)N3CC[N@@H+](CC(C)C)[C@@H](CCO)C3)cc2c1 ZINC000055568963 494362811 /nfs/dbraw/zinc/36/28/11/494362811.db2.gz GVLLXYSSGSAUBI-IBGZPJMESA-N 1 0 369.509 3.016 50 0 FGAARO CC[NH+](CC)CCN(Cc1cccs1)c1nccc(-n2cccn2)n1 ZINC000079098999 494403788 /nfs/dbraw/zinc/40/37/88/494403788.db2.gz VBNMTGCLLVEUHB-UHFFFAOYSA-N 1 0 356.499 3.072 50 0 FGAARO Cc1cccc(-c2cccc(N3CCC([NH2+]C[C@H]4CCC(=O)N4)CC3)c2)c1 ZINC000019114256 494435715 /nfs/dbraw/zinc/43/57/15/494435715.db2.gz ZQHDLMYVKVGGJO-OAQYLSRUSA-N 1 0 363.505 3.499 50 0 FGAARO COc1cc(C)c(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000019536146 494449225 /nfs/dbraw/zinc/44/92/25/494449225.db2.gz WJNDWFLDRFMOJC-UHFFFAOYSA-N 1 0 368.477 3.359 50 0 FGAARO Oc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000019744507 494458475 /nfs/dbraw/zinc/45/84/75/494458475.db2.gz RKBBMYYVJRWFDB-OAQYLSRUSA-N 1 0 369.484 3.318 50 0 FGAARO C[NH+]1CCC(Nc2ccc(-c3nc(-c4ccccc4F)no3)cn2)CC1 ZINC000020451337 494473036 /nfs/dbraw/zinc/47/30/36/494473036.db2.gz MJKKHBJDZQAODH-UHFFFAOYSA-N 1 0 353.401 3.444 50 0 FGAARO OCC[C@H]1CN(Cc2cccc3cccnc32)CC[N@@H+]1C1CCCCC1 ZINC000020448897 494473620 /nfs/dbraw/zinc/47/36/20/494473620.db2.gz IEQHHNVZDHTVAI-NRFANRHFSA-N 1 0 353.510 3.436 50 0 FGAARO CCC(C)(C)OC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020726756 494480151 /nfs/dbraw/zinc/48/01/51/494480151.db2.gz BMYOBAYOVYPZLD-QGZVFWFLSA-N 1 0 374.447 3.394 50 0 FGAARO CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000020927175 494484042 /nfs/dbraw/zinc/48/40/42/494484042.db2.gz FDZRJLFXRAHTCQ-VIFPVBQESA-N 1 0 367.081 3.081 50 0 FGAARO Cc1cc(Cl)c(OCCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000022034469 494513686 /nfs/dbraw/zinc/51/36/86/494513686.db2.gz MXYFTNQPCUXOIF-UHFFFAOYSA-N 1 0 361.711 3.427 50 0 FGAARO Cc1c(Cl)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)nc2ccccc12 ZINC000022089125 494514545 /nfs/dbraw/zinc/51/45/45/494514545.db2.gz XLPQDFJDCSHWOV-MRXNPFEDSA-N 1 0 359.901 3.493 50 0 FGAARO Cc1c(Cl)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)nc2ccccc12 ZINC000022089121 494514737 /nfs/dbraw/zinc/51/47/37/494514737.db2.gz XLPQDFJDCSHWOV-INIZCTEOSA-N 1 0 359.901 3.493 50 0 FGAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000022679092 494530739 /nfs/dbraw/zinc/53/07/39/494530739.db2.gz RENZVAIKXRINHW-OAHLLOKOSA-N 1 0 359.451 3.435 50 0 FGAARO COc1cc2c(cc1C[NH2+][C@@H]1CCN(Cc3ccccc3)C1)O[C@@H](C)C2 ZINC000022780775 494535112 /nfs/dbraw/zinc/53/51/12/494535112.db2.gz ZAQDOLYJBIWKRN-OXJNMPFZSA-N 1 0 352.478 3.383 50 0 FGAARO CC[C@@H](OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000022870655 494539964 /nfs/dbraw/zinc/53/99/64/494539964.db2.gz NUSRKGCTOQJRPV-DHIUTWEWSA-N 1 0 368.521 3.333 50 0 FGAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@H]([NH3+])C(C)C)CCO2 ZINC000067434897 494540995 /nfs/dbraw/zinc/54/09/95/494540995.db2.gz BJJDEJCVRZAZSK-LJQANCHMSA-N 1 0 354.450 3.072 50 0 FGAARO C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022915814 494541478 /nfs/dbraw/zinc/54/14/78/494541478.db2.gz JWPIXNZEHRKQLH-INIZCTEOSA-N 1 0 373.447 3.152 50 0 FGAARO CC(C)C[C@H](C)[NH2+]Cc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067446978 494543038 /nfs/dbraw/zinc/54/30/38/494543038.db2.gz ZFMQPBUBWZNDET-SFHVURJKSA-N 1 0 353.514 3.327 50 0 FGAARO O=S(=O)(Cc1cccc(Cl)c1)NCC1CC[NH+](C2CCCC2)CC1 ZINC000022999925 494545205 /nfs/dbraw/zinc/54/52/05/494545205.db2.gz JZXUZTKCYPYYJH-UHFFFAOYSA-N 1 0 370.946 3.414 50 0 FGAARO c1coc([C@H](Cn2cc(-c3ccc4c(c3)OCCO4)nn2)[NH+]2CCCC2)c1 ZINC000067473030 494548098 /nfs/dbraw/zinc/54/80/98/494548098.db2.gz FLGNBCZGCQANED-KRWDZBQOSA-N 1 0 366.421 3.146 50 0 FGAARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000023106644 494549718 /nfs/dbraw/zinc/54/97/18/494549718.db2.gz DXVOEHCBEUBUNB-AWEZNQCLSA-N 1 0 365.886 3.068 50 0 FGAARO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000023115069 494550093 /nfs/dbraw/zinc/55/00/93/494550093.db2.gz LXXPJTBBEVYIMQ-LJQANCHMSA-N 1 0 360.885 3.210 50 0 FGAARO CC[C@H]([NH3+])C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067490456 494551202 /nfs/dbraw/zinc/55/12/02/494551202.db2.gz XYWHKMWGTLQVDW-INIZCTEOSA-N 1 0 360.841 3.171 50 0 FGAARO COCC[NH+]1CCC(CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000023127937 494551652 /nfs/dbraw/zinc/55/16/52/494551652.db2.gz IBJJVPMOKOIGJN-UHFFFAOYSA-N 1 0 352.478 3.442 50 0 FGAARO Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1C ZINC000023127676 494551837 /nfs/dbraw/zinc/55/18/37/494551837.db2.gz QOFHOEFRHPOPMF-UHFFFAOYSA-N 1 0 362.495 3.087 50 0 FGAARO Fc1ccc(C[NH+]2CCC(n3cc(-c4cccnc4)nn3)CC2)cc1F ZINC000023506856 494569417 /nfs/dbraw/zinc/56/94/17/494569417.db2.gz MDZNDICHZRGPIO-UHFFFAOYSA-N 1 0 355.392 3.455 50 0 FGAARO Cc1ccc2[nH]c(CCNc3cc([C@H]4CCC[NH2+]C4)nc(C)n3)nc2c1C ZINC000067654432 494597899 /nfs/dbraw/zinc/59/78/99/494597899.db2.gz RDIMTAGXILYTBX-INIZCTEOSA-N 1 0 364.497 3.400 50 0 FGAARO O=C1CCC2(CC[NH+](Cc3cccc(Cl)c3Cl)CC2)CN1CCO ZINC000091486524 494610316 /nfs/dbraw/zinc/61/03/16/494610316.db2.gz IDIXRZCDIAGLGS-UHFFFAOYSA-N 1 0 371.308 3.190 50 0 FGAARO COc1ccc(-c2cc(C(=O)N(C)CC[C@@H](C)[NH+]3CCCC3)[nH]n2)cc1 ZINC000091552008 494616750 /nfs/dbraw/zinc/61/67/50/494616750.db2.gz NSOCHULRNFAGGT-OAHLLOKOSA-N 1 0 356.470 3.032 50 0 FGAARO CN1CC[N@H+](CCc2cccc3ccccc32)C[C@@]12CCC(=O)N(C)CC2 ZINC000091574363 494619665 /nfs/dbraw/zinc/61/96/65/494619665.db2.gz LQNGCRVWFXGWAL-QHCPKHFHSA-N 1 0 365.521 3.011 50 0 FGAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3OCC)oc2C)C1 ZINC000067723221 494625689 /nfs/dbraw/zinc/62/56/89/494625689.db2.gz UHJRFAUROPPMDI-OAHLLOKOSA-N 1 0 357.454 3.007 50 0 FGAARO CC(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)cc1 ZINC000091604773 494626718 /nfs/dbraw/zinc/62/67/18/494626718.db2.gz VQFFMWTWRQAVHA-UYAOXDASSA-N 1 0 364.493 3.337 50 0 FGAARO Cc1nc2c(nc(C)nc2NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)o1 ZINC000091707249 494655235 /nfs/dbraw/zinc/65/52/35/494655235.db2.gz AXVITAJEZCKVRY-INIZCTEOSA-N 1 0 351.454 3.444 50 0 FGAARO C[NH+]1CCC(Cc2noc([C@@H]3CCC(=O)N(CC4CCCCC4)C3)n2)CC1 ZINC000091747101 494666798 /nfs/dbraw/zinc/66/67/98/494666798.db2.gz AIXDQKODQKLWJD-GOSISDBHSA-N 1 0 374.529 3.240 50 0 FGAARO O[C@@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067852131 494667130 /nfs/dbraw/zinc/66/71/30/494667130.db2.gz PIYNHUKMMDJWLV-PKOBYXMFSA-N 1 0 350.418 3.247 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCCCCCCC3)cnn2c1 ZINC000067856366 494667240 /nfs/dbraw/zinc/66/72/40/494667240.db2.gz GTBNPCWLLBEHLN-UHFFFAOYSA-N 1 0 357.502 3.368 50 0 FGAARO Cc1nnnn1CCC[N@@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067872901 494673616 /nfs/dbraw/zinc/67/36/16/494673616.db2.gz CSGQUQKWJZITBQ-UHFFFAOYSA-N 1 0 374.448 3.238 50 0 FGAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cnc2ccccc2c1O ZINC000025133112 494703035 /nfs/dbraw/zinc/70/30/35/494703035.db2.gz JLTARPRCHMYSID-UHFFFAOYSA-N 1 0 361.445 3.054 50 0 FGAARO Cc1nn2cc(CC[NH2+]Cc3c[nH]nc3-c3ccc(C)c(C)c3)nc2s1 ZINC000067946459 494705777 /nfs/dbraw/zinc/70/57/77/494705777.db2.gz NNVTUPOCRHEPQJ-UHFFFAOYSA-N 1 0 366.494 3.438 50 0 FGAARO CCc1nc2ccccc2n1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000025421080 494739163 /nfs/dbraw/zinc/73/91/63/494739163.db2.gz ZRFDRNZYEVCITE-LJQANCHMSA-N 1 0 350.466 3.018 50 0 FGAARO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1OC(F)F ZINC000025608120 494760031 /nfs/dbraw/zinc/76/00/31/494760031.db2.gz IIZRCIYDWRBPMR-GFCCVEGCSA-N 1 0 370.421 3.391 50 0 FGAARO O=C(NCc1ccncc1)c1cccc2[nH]cc(C[NH+]3CCSCC3)c21 ZINC000075483590 494774391 /nfs/dbraw/zinc/77/43/91/494774391.db2.gz QASSUADOQAFTON-UHFFFAOYSA-N 1 0 366.490 3.042 50 0 FGAARO O=c1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)[nH]c2ccc(F)cc12 ZINC000092097716 494787569 /nfs/dbraw/zinc/78/75/69/494787569.db2.gz DSFZALYNLJHDMG-UHFFFAOYSA-N 1 0 352.409 3.151 50 0 FGAARO COc1ccccc1[C@H](CNC(=O)c1ccc2[nH]cnc2c1)[NH+]1CCCC1 ZINC000027570782 494874533 /nfs/dbraw/zinc/87/45/33/494874533.db2.gz YXAPPUXYLARVEZ-IBGZPJMESA-N 1 0 364.449 3.138 50 0 FGAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H]2CC[NH2+]C2)cc1C ZINC000127202036 494908668 /nfs/dbraw/zinc/90/86/68/494908668.db2.gz FKSXVEWJJNUMPP-SFHVURJKSA-N 1 0 360.461 3.248 50 0 FGAARO CC[NH+]1CCC(CC(=O)N(Cc2ccncc2)Cc2ccc(O)cc2)CC1 ZINC000095518557 494985859 /nfs/dbraw/zinc/98/58/59/494985859.db2.gz ZSZGRGKHGUUQPQ-UHFFFAOYSA-N 1 0 367.493 3.438 50 0 FGAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1 ZINC000133279297 494993657 /nfs/dbraw/zinc/99/36/57/494993657.db2.gz ZPAYGDRZFKADFE-CQSZACIVSA-N 1 0 354.878 3.207 50 0 FGAARO CCCSc1ccccc1N1CC[NH+](CCCCNC(=O)OC)CC1 ZINC000096026627 494997789 /nfs/dbraw/zinc/99/77/89/494997789.db2.gz OJUQEYSKYKZIRF-UHFFFAOYSA-N 1 0 365.543 3.447 50 0 FGAARO Cc1cnc(CNC(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3C)c2)cn1 ZINC000096162877 495005894 /nfs/dbraw/zinc/00/58/94/495005894.db2.gz XLQFFBOFOYEVDY-MRXNPFEDSA-N 1 0 353.470 3.481 50 0 FGAARO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000135581082 495314370 /nfs/dbraw/zinc/31/43/70/495314370.db2.gz LALHLCFIWKSBKF-QGZVFWFLSA-N 1 0 351.454 3.412 50 0 FGAARO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000135581103 495314657 /nfs/dbraw/zinc/31/46/57/495314657.db2.gz LALHLCFIWKSBKF-KRWDZBQOSA-N 1 0 351.454 3.412 50 0 FGAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000106531053 495464263 /nfs/dbraw/zinc/46/42/63/495464263.db2.gz FTOUIPUXPQZHPE-UONOGXRCSA-N 1 0 360.454 3.147 50 0 FGAARO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000170598126 495531464 /nfs/dbraw/zinc/53/14/64/495531464.db2.gz YCLYNTOCURDDEO-UHFFFAOYSA-N 1 0 356.873 3.017 50 0 FGAARO CCCN(CCC[NH+](C)C)C(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 ZINC000170605737 495533468 /nfs/dbraw/zinc/53/34/68/495533468.db2.gz WGLDEOLBDRSMRU-UHFFFAOYSA-N 1 0 373.419 3.468 50 0 FGAARO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc(C2CC2)on1 ZINC000171870740 496070546 /nfs/dbraw/zinc/07/05/46/496070546.db2.gz ITWVTABBNMVRAW-AYHJJNSGSA-N 1 0 351.450 3.477 50 0 FGAARO COc1ccc2oc(C[NH2+]Cc3ccnc(O[C@H]4CCOC4)c3)cc2c1 ZINC000153856847 496603874 /nfs/dbraw/zinc/60/38/74/496603874.db2.gz ATLHMOVADBMBLC-KRWDZBQOSA-N 1 0 354.406 3.294 50 0 FGAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000169677691 496716675 /nfs/dbraw/zinc/71/66/75/496716675.db2.gz CCAVGQAFZYKWBT-DOTOQJQBSA-N 1 0 353.503 3.480 50 0 FGAARO CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1)C(C)C ZINC000248026290 496943879 /nfs/dbraw/zinc/94/38/79/496943879.db2.gz MFVRDTASLQAHLG-QGZVFWFLSA-N 1 0 356.514 3.432 50 0 FGAARO Cn1nc(C[N@H+](C)C[C@H]2CC(=O)N(C3CCCC3)C2)c2c1cccc2Cl ZINC000215058579 496977248 /nfs/dbraw/zinc/97/72/48/496977248.db2.gz KSPZPNSBRQSATR-CQSZACIVSA-N 1 0 374.916 3.450 50 0 FGAARO COc1ccc(CN(Cc2cccc(F)c2)C(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000215324965 496978573 /nfs/dbraw/zinc/97/85/73/496978573.db2.gz BRSMWKFJMGNOHP-QGZVFWFLSA-N 1 0 356.441 3.363 50 0 FGAARO O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)[C@H]1CCc2ccccc21 ZINC000215148114 496978911 /nfs/dbraw/zinc/97/89/11/496978911.db2.gz HEOSFWVLYMZIDE-NRFANRHFSA-N 1 0 350.462 3.203 50 0 FGAARO NC(=O)COc1ccc(CN2CCCC[C@@H]2c2nccs2)cc1Cl ZINC000215286465 496979450 /nfs/dbraw/zinc/97/94/50/496979450.db2.gz OTSQZJOKBURUSM-CQSZACIVSA-N 1 0 365.886 3.388 50 0 FGAARO COc1cc2c(cc1C[NH+]1CCC3(CC1)CCC(=O)N(C)CC3)CCC2 ZINC000215445963 496979667 /nfs/dbraw/zinc/97/96/67/496979667.db2.gz MBMBASFEMIABEL-UHFFFAOYSA-N 1 0 356.510 3.408 50 0 FGAARO CCn1nc(CC(C)C)cc1C(=O)NC1CC[NH+](Cc2ccco2)CC1 ZINC000215651804 496982044 /nfs/dbraw/zinc/98/20/44/496982044.db2.gz QQOPFJNQOISSAS-UHFFFAOYSA-N 1 0 358.486 3.089 50 0 FGAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)n1 ZINC000215730277 496982988 /nfs/dbraw/zinc/98/29/88/496982988.db2.gz YPWJNSNERJBXGL-OAHLLOKOSA-N 1 0 354.433 3.126 50 0 FGAARO Fc1ccc(C2=CCN(Cc3cnc(NC[C@@H]4CCCO4)nc3)CC2)cc1 ZINC000215992029 496985725 /nfs/dbraw/zinc/98/57/25/496985725.db2.gz KLFWOGJADYSVTB-FQEVSTJZSA-N 1 0 368.456 3.496 50 0 FGAARO CC(C)c1nccn1[C@H](C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000218949563 497005769 /nfs/dbraw/zinc/00/57/69/497005769.db2.gz IRIYVFVJKBAGIM-GOSISDBHSA-N 1 0 368.525 3.391 50 0 FGAARO CCc1nc2ccccc2n1CCC(=O)N(C)C[C@@H]1Cc2ccccc2O1 ZINC000219721472 497010634 /nfs/dbraw/zinc/01/06/34/497010634.db2.gz HSKNXGDEJGQUDU-KRWDZBQOSA-N 1 0 363.461 3.451 50 0 FGAARO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC(Oc2ccc(F)cc2)C1 ZINC000221411589 497019099 /nfs/dbraw/zinc/01/90/99/497019099.db2.gz LBQYBYMIYDQJMY-FQEVSTJZSA-N 1 0 354.425 3.080 50 0 FGAARO COCc1nc(C2CC([NH3+])C2)cc(N(C)Cc2cc3cc(F)ccc3[nH]2)n1 ZINC000222363498 497022331 /nfs/dbraw/zinc/02/23/31/497022331.db2.gz NGGGTSZXJLZBMG-UHFFFAOYSA-N 1 0 369.444 3.085 50 0 FGAARO O=C(CC[NH+]1CCCCC1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000223065041 497032611 /nfs/dbraw/zinc/03/26/11/497032611.db2.gz OVUNOOCOHJPJEA-FQVRHNBASA-N 1 0 367.493 3.039 50 0 FGAARO CC(C)C[NH+]1CCC(N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)CC1 ZINC000225451299 497063643 /nfs/dbraw/zinc/06/36/43/497063643.db2.gz QYKWFFZQGCCJSD-UHFFFAOYSA-N 1 0 363.889 3.225 50 0 FGAARO O=C1O[C@@H](C[N@H+](Cc2ccc3c(c2)OCCO3)C2CCCC2)CC12CC2 ZINC000225468636 497063840 /nfs/dbraw/zinc/06/38/40/497063840.db2.gz OUNUWMGRLTVXJJ-QGZVFWFLSA-N 1 0 357.450 3.298 50 0 FGAARO CN(C)c1ccc(C(=O)N2CCC([N@@H+]3CCc4sccc4C3)CC2)cc1 ZINC000225688613 497071389 /nfs/dbraw/zinc/07/13/89/497071389.db2.gz PTFJZCYHSLYDDZ-UHFFFAOYSA-N 1 0 369.534 3.477 50 0 FGAARO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2c(F)cccc2OC(F)(F)F)cn1 ZINC000225807176 497076372 /nfs/dbraw/zinc/07/63/72/497076372.db2.gz DVXJBWZYWKHPSA-GOEBONIOSA-N 1 0 373.350 3.468 50 0 FGAARO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1 ZINC000192733213 497199025 /nfs/dbraw/zinc/19/90/25/497199025.db2.gz VSXRAMTXCREZEM-SFHVURJKSA-N 1 0 362.495 3.275 50 0 FGAARO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000237499498 497246509 /nfs/dbraw/zinc/24/65/09/497246509.db2.gz CTYQCKZYRFFNIO-XJKSGUPXSA-N 1 0 374.916 3.401 50 0 FGAARO Cc1cc(SCC(=O)NC[C@H]([NH3+])C2CC2)c(C)cc1Br ZINC000237797034 497293827 /nfs/dbraw/zinc/29/38/27/497293827.db2.gz CJENQSSWXKGAPW-ZDUSSCGKSA-N 1 0 357.317 3.012 50 0 FGAARO CC(C)(C)c1oc(C(N)=O)cc1C[NH+]1CCC([C@H](O)c2ccccn2)CC1 ZINC000252500786 497307498 /nfs/dbraw/zinc/30/74/98/497307498.db2.gz TVIPYXBUKXZVFQ-SFHVURJKSA-N 1 0 371.481 3.017 50 0 FGAARO O=C1[C@@H]2CC[C@@H](c3ccccc3)N2C(=O)N1[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000253398729 497331544 /nfs/dbraw/zinc/33/15/44/497331544.db2.gz OBNGXAXBXALLKQ-QYZOEREBSA-N 1 0 353.466 3.171 50 0 FGAARO CCOc1cccc(/C=C\C(=O)N2CC[C@H](C[NH3+])C2)c1OC1CCCC1 ZINC000254925206 497353037 /nfs/dbraw/zinc/35/30/37/497353037.db2.gz JVHAZYAZDBHYMX-BLIJAFNYSA-N 1 0 358.482 3.227 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O=C(NCCC[NH+]1CCC(O)CC1)Nc1cccc(-c2ccccc2)c1 ZINC000299766645 497916660 /nfs/dbraw/zinc/91/66/60/497916660.db2.gz DVMBLQHOPSEZTO-UHFFFAOYSA-N 1 0 353.466 3.322 50 0 FGAARO O=C(NC[C@H]1C[NH2+]CCO1)c1cccc(-c2cccc(C(F)(F)F)c2)c1 ZINC000299789349 497923859 /nfs/dbraw/zinc/92/38/59/497923859.db2.gz XSCYZESXOZESSZ-QGZVFWFLSA-N 1 0 364.367 3.091 50 0 FGAARO O=C(NC[C@@H]1C[NH2+]CCO1)c1cccc(-c2cccc(C(F)(F)F)c2)c1 ZINC000299789348 497923975 /nfs/dbraw/zinc/92/39/75/497923975.db2.gz XSCYZESXOZESSZ-KRWDZBQOSA-N 1 0 364.367 3.091 50 0 FGAARO COc1ccc(-n2cc([C@@H](C)NC(=O)CC[NH+]3CCCCCC3)cn2)cc1 ZINC000299793511 497925643 /nfs/dbraw/zinc/92/56/43/497925643.db2.gz GRXACOKQMPXYQO-QGZVFWFLSA-N 1 0 370.497 3.324 50 0 FGAARO O=C(NCc1ccc(F)cc1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000575315865 505960070 /nfs/dbraw/zinc/96/00/70/505960070.db2.gz ICWXLXQBDKOLPR-UYAOXDASSA-N 1 0 353.441 3.242 50 0 FGAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000575547324 505980387 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CCC[N@@H+]1CCCn2nc(CNC(=O)Cc3ccc(C(C)C)cc3)cc2C1 ZINC000082106654 519854696 /nfs/dbraw/zinc/85/46/96/519854696.db2.gz WHJJQLAVCANFBL-UHFFFAOYSA-N 1 0 368.525 3.481 50 0 FGAARO CCCOc1ccccc1C[NH+]1CCC2(CCC(=O)N(CCOC)C2)CC1 ZINC000091460985 520474378 /nfs/dbraw/zinc/47/43/78/520474378.db2.gz YMEOPJREDNVDLA-UHFFFAOYSA-N 1 0 374.525 3.326 50 0 FGAARO CCCOc1ccccc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091625709 520474627 /nfs/dbraw/zinc/47/46/27/520474627.db2.gz UPNZHLWOJYSTSQ-RTBURBONSA-N 1 0 374.525 3.032 50 0 FGAARO CC[NH+](CC)CCc1nnc(NC(=O)N[C@H]2CCc3ccccc32)s1 ZINC000020362791 520714231 /nfs/dbraw/zinc/71/42/31/520714231.db2.gz QWMFWMGGNDCJSE-HNNXBMFYSA-N 1 0 359.499 3.231 50 0 FGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000020909669 523350114 /nfs/dbraw/zinc/35/01/14/523350114.db2.gz LRDCIWGXAYOVAN-OAQYLSRUSA-N 1 0 354.494 3.154 50 0 FGAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H]([NH2+]C1CCCC1)C2 ZINC000020600471 523610063 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Cc1ccccc1[C@@H](CNC(=O)c1nc2cccc(C)n2c1F)[NH+](C)C ZINC000216509482 525366674 /nfs/dbraw/zinc/36/66/74/525366674.db2.gz IOVNIEXSJOAWQJ-MRXNPFEDSA-N 1 0 354.429 3.123 50 0 FGAARO Cc1ccc(OCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cc1 ZINC000091664144 525384456 /nfs/dbraw/zinc/38/44/56/525384456.db2.gz JFJJFOCTXUMEKG-NHCUHLMSSA-N 1 0 364.489 3.497 50 0 FGAARO COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCC[N@@H+](C4CCCC4)C3)c2c1 ZINC000091663567 525493156 /nfs/dbraw/zinc/49/31/56/525493156.db2.gz NVOLFXPNXMTKND-QGZVFWFLSA-N 1 0 369.509 3.490 50 0 FGAARO COc1ccc2cc(-c3n[nH]cc3C[NH2+]CCc3cnn(C)c3)ccc2c1 ZINC000020204562 525618392 /nfs/dbraw/zinc/61/83/92/525618392.db2.gz CCTGDFIOJMZKMD-UHFFFAOYSA-N 1 0 361.449 3.304 50 0 FGAARO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000242302169 525875558 /nfs/dbraw/zinc/87/55/58/525875558.db2.gz YQAIANYNQFKWLL-FGTMMUONSA-N 1 0 359.514 3.044 50 0 FGAARO c1cc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)o2)n[nH]1 ZINC000091587262 526411720 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FGAARO Cn1c(CCCNC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)nc2ccccc21 ZINC000072169127 494143369 /nfs/dbraw/zinc/14/33/69/494143369.db2.gz OCNNWQCPBMIQRX-MRXNPFEDSA-N 1 0 362.477 3.013 50 0 FGAARO COc1cccc(C[N@H+]2CC=C(C(=O)NCc3ccc(C)cc3)CC2)c1 ZINC000064817999 494152057 /nfs/dbraw/zinc/15/20/57/494152057.db2.gz ZTENLDIINOLJNY-UHFFFAOYSA-N 1 0 350.462 3.452 50 0 FGAARO Cc1nc([C@@]2(O)CCC[NH2+]CC2)sc1CCOc1ccccc1F ZINC000072343622 494154659 /nfs/dbraw/zinc/15/46/59/494154659.db2.gz KLTQUFCURSAUHP-GOSISDBHSA-N 1 0 350.459 3.173 50 0 FGAARO Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072408547 494165320 /nfs/dbraw/zinc/16/53/20/494165320.db2.gz MOQGYXXWODEYAI-HXUWFJFHSA-N 1 0 367.541 3.223 50 0 FGAARO Cc1cc2cccc(C(=O)N3CCC([C@H](C)[NH+]4CCOCC4)CC3)c2o1 ZINC000072421023 494169630 /nfs/dbraw/zinc/16/96/30/494169630.db2.gz PKOAFEVAWXTSHO-INIZCTEOSA-N 1 0 356.466 3.314 50 0 FGAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@@H](CN3CCCC3=O)C2)cc1 ZINC000072436198 494175084 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COc1cccc(OC)c1CNc1nc(CC[NH3+])nc2sc(C)c(C)c21 ZINC000065370982 494191367 /nfs/dbraw/zinc/19/13/67/494191367.db2.gz ZJHOFUHTMDIHMV-UHFFFAOYSA-N 1 0 372.494 3.439 50 0 FGAARO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(OCc3cccnc3)CC2)cc1 ZINC000065387628 494192027 /nfs/dbraw/zinc/19/20/27/494192027.db2.gz OIZPLWFEOOGECY-GOSISDBHSA-N 1 0 367.493 3.248 50 0 FGAARO Cn1cccc1[C@@H](CNC(=O)c1ccc2c(c1)OCO2)[NH+]1CCCCCC1 ZINC000011846358 494193260 /nfs/dbraw/zinc/19/32/60/494193260.db2.gz RUYHKFCOQCZPNG-GOSISDBHSA-N 1 0 369.465 3.101 50 0 FGAARO COc1cccc([C@@H]2CCN2C(=O)C2CC[NH+](Cc3ccco3)CC2)c1 ZINC000065465034 494200222 /nfs/dbraw/zinc/20/02/22/494200222.db2.gz NXGRDCCIFVOXCH-FQEVSTJZSA-N 1 0 354.450 3.474 50 0 FGAARO COc1ccc(NC(=O)CC[N@H+]2CC=C(c3cnn(C)c3)CC2)cc1Cl ZINC000065507308 494205495 /nfs/dbraw/zinc/20/54/95/494205495.db2.gz WFTJHEQHWOPUCZ-UHFFFAOYSA-N 1 0 374.872 3.200 50 0 FGAARO Cc1cccc(N2CCN(C(=O)C[NH2+][C@@H](C)c3cccc(F)c3)CC2)c1 ZINC000012528597 494237966 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[NH3+]Cc1cccc2c1N(S(=O)(=O)c1ccc(C(F)F)cc1)CCC2 ZINC000624390156 715526588 /nfs/dbraw/zinc/52/65/88/715526588.db2.gz WJTJNLVCQQEWDL-UHFFFAOYSA-N 1 0 352.406 3.224 50 0 FGAARO [NH3+]C1CCN(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000659628522 719930923 /nfs/dbraw/zinc/93/09/23/719930923.db2.gz QLXJKTGBLQANMT-INIZCTEOSA-N 1 0 366.303 3.349 50 0 FGAARO CC(C)(C)OC(=O)NCCCC[C@@H]([NH2+]CCO)c1ccc(F)cc1F ZINC000888097012 739470459 /nfs/dbraw/zinc/47/04/59/739470459.db2.gz VKNOODKOPUXCNU-MRXNPFEDSA-N 1 0 358.429 3.283 50 0 FGAARO C[NH2+]CCCNCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261491705 210006227 /nfs/dbraw/zinc/00/62/27/210006227.db2.gz DVOPVHVKUPTSPK-UHFFFAOYSA-N 1 0 369.900 3.346 50 0 FGAARO Cc1[nH]c(=S)sc1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000023640334 209713545 /nfs/dbraw/zinc/71/35/45/209713545.db2.gz VWWDNYKRDJDBAH-UHFFFAOYSA-N 1 0 361.536 3.064 50 0 FGAARO NC(=[NH2+])Sc1cn(CCNC(=O)c2ccc(F)cc2)c2ccccc12 ZINC000002455114 209396023 /nfs/dbraw/zinc/39/60/23/209396023.db2.gz 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CCOc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc(Cl)c1O ZINC000007984730 207215073 /nfs/dbraw/zinc/21/50/73/207215073.db2.gz ATKPDAJOMHMJJY-MRXNPFEDSA-N 1 0 362.857 3.477 50 0 FGAARO COc1cc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cc(OC)c1OC ZINC000008013049 207215460 /nfs/dbraw/zinc/21/54/60/207215460.db2.gz BMRIJQTZOHICNP-UHFFFAOYSA-N 1 0 353.422 3.188 50 0 FGAARO COCCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000010450999 207300313 /nfs/dbraw/zinc/30/03/13/207300313.db2.gz IAZOPVWEAVGLGZ-UHFFFAOYSA-N 1 0 368.477 3.106 50 0 FGAARO CC(C)c1cc(C(=O)N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)on1 ZINC000011662550 207316323 /nfs/dbraw/zinc/31/63/23/207316323.db2.gz NIYLIMVPYXUMBS-QGZVFWFLSA-N 1 0 353.466 3.160 50 0 FGAARO O=C(CCC1CC[NH+](C/C=C/c2ccccc2)CC1)NC[C@@H]1CCCO1 ZINC000011934245 207331681 /nfs/dbraw/zinc/33/16/81/207331681.db2.gz CXDXGAPBSCCQLF-VPVJOJIASA-N 1 0 356.510 3.487 50 0 FGAARO CCn1ccnc1CN(C)CC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000011936082 207331785 /nfs/dbraw/zinc/33/17/85/207331785.db2.gz 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CCc1oc(C(=O)N2CCC3(CCOCC3)CC2)cc1C[NH+]1CCCC1 ZINC000071405743 494092064 /nfs/dbraw/zinc/09/20/64/494092064.db2.gz LWRRCGKXQICRHW-UHFFFAOYSA-N 1 0 360.498 3.471 50 0 FGAARO Cc1nc2cccc(C(=O)N3CCC[N@H+](CC4CC4)[C@H](C(C)C)C3)c2[nH]1 ZINC000071419272 494092876 /nfs/dbraw/zinc/09/28/76/494092876.db2.gz CFRYFHIARRDLQU-IBGZPJMESA-N 1 0 354.498 3.454 50 0 FGAARO COc1nc(C)c(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)s1 ZINC000071440245 494093307 /nfs/dbraw/zinc/09/33/07/494093307.db2.gz SIFSUMILZQCQLZ-HNNXBMFYSA-N 1 0 351.516 3.043 50 0 FGAARO Cc1ncncc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071754712 494097627 /nfs/dbraw/zinc/09/76/27/494097627.db2.gz XLTUWLZSCQQYEC-HXUWFJFHSA-N 1 0 370.472 3.297 50 0 FGAARO Cc1ccc(OC2(C(=O)N3CCC[C@@H]3c3ccccn3)CC[NH2+]CC2)cc1 ZINC000077503839 494099100 /nfs/dbraw/zinc/09/91/00/494099100.db2.gz CEOYUSYYRFYOBA-HXUWFJFHSA-N 1 0 365.477 3.255 50 0 FGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cccc(F)c3)CC2)C1)N1CCCC1 ZINC000071774515 494100520 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CCCCc1nc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c[nH]1 ZINC000072412338 494166630 /nfs/dbraw/zinc/16/66/30/494166630.db2.gz MAOXTPJOPZCRLY-NRFANRHFSA-N 1 0 352.526 3.427 50 0 FGAARO CC(C)(O)CCc1cccc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000072412136 494166927 /nfs/dbraw/zinc/16/69/27/494166927.db2.gz OFZWZSMSYAXNGS-UHFFFAOYSA-N 1 0 367.493 3.138 50 0 FGAARO c1cn(-c2ccccc2Cc2ccccc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072418418 494168219 /nfs/dbraw/zinc/16/82/19/494168219.db2.gz SCDHMKYSYIQMMB-UHFFFAOYSA-N 1 0 355.445 3.430 50 0 FGAARO Cc1ccc(-c2nc(-c3ccc(C(=O)NCC[NH+](C)C)s3)no2)cc1 ZINC000065062920 494169372 /nfs/dbraw/zinc/16/93/72/494169372.db2.gz SWMYYQKWTOEMGE-UHFFFAOYSA-N 1 0 356.451 3.065 50 0 FGAARO COCCCN(Cc1cnc(C2CCCCC2)nc1)C1CC[NH+](C)CC1 ZINC000072432993 494173914 /nfs/dbraw/zinc/17/39/14/494173914.db2.gz ZSOXHYBUSFPYLP-UHFFFAOYSA-N 1 0 360.546 3.457 50 0 FGAARO Cc1nn2c(nc(C)cc2NCC2([NH+]3CCOCC3)CCCCC2)c1C ZINC000072433373 494174240 /nfs/dbraw/zinc/17/42/40/494174240.db2.gz 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ZINC000011818656 494192596 /nfs/dbraw/zinc/19/25/96/494192596.db2.gz UOUMLIOKECZQSE-GOSISDBHSA-N 1 0 364.493 3.431 50 0 FGAARO c1cnn(-c2ccccc2CNc2ncnc3sc4c(c32)CC[NH2+]C4)c1 ZINC000065406375 494193268 /nfs/dbraw/zinc/19/32/68/494193268.db2.gz OZBZRFLSFCSDRG-UHFFFAOYSA-N 1 0 362.462 3.135 50 0 FGAARO CCc1nccn1C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000065405397 494193467 /nfs/dbraw/zinc/19/34/67/494193467.db2.gz VTKYKSGZIDWULO-QGZVFWFLSA-N 1 0 354.498 3.037 50 0 FGAARO Cn1cccc1[C@H](CNC(=O)COc1ccccc1F)[NH+]1CCCCCC1 ZINC000011846389 494193775 /nfs/dbraw/zinc/19/37/75/494193775.db2.gz JFHQPZWJJPULCJ-IBGZPJMESA-N 1 0 373.472 3.277 50 0 FGAARO Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc([C@H](C)[NH+]2CCCCC2)o1 ZINC000065420424 494195381 /nfs/dbraw/zinc/19/53/81/494195381.db2.gz IZWPCVLRYBZBCM-INIZCTEOSA-N 1 0 358.486 3.449 50 0 FGAARO Cc1ccc(CN(C(=O)C2CC[NH+](CCO)CC2)C2CCCC2)s1 ZINC000065428320 494196327 /nfs/dbraw/zinc/19/63/27/494196327.db2.gz NLZKKJGXDYHIFF-UHFFFAOYSA-N 1 0 350.528 3.032 50 0 FGAARO CC[N@@H+]1CCC[C@H](c2c(-c3ccccc3)ncn2Cc2cc(=O)[nH]cn2)C1 ZINC000065490589 494204496 /nfs/dbraw/zinc/20/44/96/494204496.db2.gz ZOFLRAFQWHDGEE-KRWDZBQOSA-N 1 0 363.465 3.293 50 0 FGAARO CC1CC[NH+](C[C@@H](O)CN2CCC[C@@H]2Cc2ccccc2Cl)CC1 ZINC000065512037 494206359 /nfs/dbraw/zinc/20/63/59/494206359.db2.gz KYVOZMLZJSFUSV-RTBURBONSA-N 1 0 350.934 3.440 50 0 FGAARO CC(C)=CCC[C@H](C)C[NH2+]Cc1cccnc1N1CCN(C(C)=O)CC1 ZINC000012478579 494235750 /nfs/dbraw/zinc/23/57/50/494235750.db2.gz ZRXXNPFNEJXXHP-SFHVURJKSA-N 1 0 358.530 3.222 50 0 FGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)CC1CC1 ZINC000012716004 494251315 /nfs/dbraw/zinc/25/13/15/494251315.db2.gz WSAJDCVJIARQAA-UHFFFAOYSA-N 1 0 362.489 3.313 50 0 FGAARO CC1(C)CC(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)CC(C)(C)[NH2+]1 ZINC000012808265 494261506 /nfs/dbraw/zinc/26/15/06/494261506.db2.gz QJKSNZIYAROVSO-FMIVXFBMSA-N 1 0 369.509 3.252 50 0 FGAARO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2C(N)=O)C(C)C)cc1 ZINC000012868569 494266827 /nfs/dbraw/zinc/26/68/27/494266827.db2.gz RFXUJGVWYCMQJQ-FQEVSTJZSA-N 1 0 353.466 3.273 50 0 FGAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1COc2ccccc2C1)c1ccccc1 ZINC000012901357 494269735 /nfs/dbraw/zinc/26/97/35/494269735.db2.gz XBHZGKXAHQQDBD-PMACEKPBSA-N 1 0 352.478 3.437 50 0 FGAARO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000013649000 494292550 /nfs/dbraw/zinc/29/25/50/494292550.db2.gz LLRKTXUQVZVSAI-AWEZNQCLSA-N 1 0 374.934 3.282 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c5c(cccc53)CC4)cn2)CC1 ZINC000014142190 494305754 /nfs/dbraw/zinc/30/57/54/494305754.db2.gz BWMRUVPPBQXTQD-UHFFFAOYSA-N 1 0 372.472 3.338 50 0 FGAARO Cc1csc(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000014139184 494305795 /nfs/dbraw/zinc/30/57/95/494305795.db2.gz HQZSTNBCIPXYHG-UHFFFAOYSA-N 1 0 361.536 3.324 50 0 FGAARO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000014198591 494310007 /nfs/dbraw/zinc/31/00/07/494310007.db2.gz BFJUSXATGURXNP-UHFFFAOYSA-N 1 0 364.898 3.414 50 0 FGAARO CC(=O)Oc1c(C)cc(C[NH2+]Cc2ccccc2-n2cncn2)cc1C ZINC000055252816 494319120 /nfs/dbraw/zinc/31/91/20/494319120.db2.gz XTMOULKYBFMUFE-UHFFFAOYSA-N 1 0 350.422 3.099 50 0 FGAARO COc1cc(C[N@H+]2CCC(=O)N(Cc3ccccc3C)CC2)ccc1F ZINC000055283665 494321911 /nfs/dbraw/zinc/32/19/11/494321911.db2.gz AQVLAIMGRTXWGD-UHFFFAOYSA-N 1 0 356.441 3.377 50 0 FGAARO CCCC[N@H+](C)[C@@H]1CCc2c(c(C(=O)NC)nn2CCc2ccccc2)C1 ZINC000014743629 494324816 /nfs/dbraw/zinc/32/48/16/494324816.db2.gz BRTXVGIAUHWLBA-GOSISDBHSA-N 1 0 368.525 3.075 50 0 FGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccncc2)C1 ZINC000014971796 494331261 /nfs/dbraw/zinc/33/12/61/494331261.db2.gz UUNCBSYIZKFKER-GOSISDBHSA-N 1 0 367.493 3.117 50 0 FGAARO Cc1cc2cc(C(=O)N[C@@H]3CCCN(C4CC[NH+](C)CC4)C3)ccc2o1 ZINC000014971717 494332218 /nfs/dbraw/zinc/33/22/18/494332218.db2.gz JLQLZNACTWHRSI-GOSISDBHSA-N 1 0 355.482 3.030 50 0 FGAARO O=C(Cc1cscn1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]21 ZINC000015006231 494333353 /nfs/dbraw/zinc/33/33/53/494333353.db2.gz RXMNCYLTDSHIAG-MJGOQNOKSA-N 1 0 355.507 3.199 50 0 FGAARO Cc1cccc(-c2ncc(C[NH2+]C[C@@H]3CCCN(C(=O)C(C)C)C3)cn2)c1 ZINC000055370979 494333934 /nfs/dbraw/zinc/33/39/34/494333934.db2.gz BKDKBOKCPVCCSV-SFHVURJKSA-N 1 0 366.509 3.436 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccoc3)c(C(F)(F)F)c2)CC1 ZINC000044796843 494381388 /nfs/dbraw/zinc/38/13/88/494381388.db2.gz KKVMHHAEALEQOL-UHFFFAOYSA-N 1 0 353.344 3.303 50 0 FGAARO COc1cc(OC)cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000016603986 494395902 /nfs/dbraw/zinc/39/59/02/494395902.db2.gz CBCISEXIJPDIBB-UHFFFAOYSA-N 1 0 354.450 3.098 50 0 in-vivo FGAARO C[C@@H]1C[N@@H+](CCCCNc2nn3cc(C(C)(C)C)nc3s2)C[C@H](C)O1 ZINC000079063630 494398317 /nfs/dbraw/zinc/39/83/17/494398317.db2.gz CAKZVZZGLGSPDN-OKILXGFUSA-N 1 0 365.547 3.390 50 0 FGAARO COc1ccc(-c2c[n+](CC(=O)c3ccc(F)cc3)c3n2CCC3)cc1 ZINC000017206222 494409577 /nfs/dbraw/zinc/40/95/77/494409577.db2.gz ZNXYGDWJDFPCPV-UHFFFAOYSA-N 1 0 351.401 3.419 50 0 FGAARO Cc1ccc(C)c(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000018223098 494429186 /nfs/dbraw/zinc/42/91/86/494429186.db2.gz WKCRJEVLTKCATR-IBGZPJMESA-N 1 0 361.445 3.249 50 0 FGAARO COc1cc(CN(CC[NH+](C)C)Cc2ccccc2)cc(OC)c1OC ZINC000019359540 494443739 /nfs/dbraw/zinc/44/37/39/494443739.db2.gz CIBLLGVAAXACPQ-UHFFFAOYSA-N 1 0 358.482 3.276 50 0 FGAARO O[C@H](COc1ccc2ccccc2c1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019537650 494449019 /nfs/dbraw/zinc/44/90/19/494449019.db2.gz ZHRCZANNCYDLNV-QFIPXVFZSA-N 1 0 362.473 3.402 50 0 FGAARO Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000019902222 494463316 /nfs/dbraw/zinc/46/33/16/494463316.db2.gz NPYVEWIXRQWELX-HXUWFJFHSA-N 1 0 371.912 3.367 50 0 FGAARO C[C@@H](Cc1ccsc1)[NH2+]Cc1c(C(=O)N2CCCC2)nc2sccn12 ZINC000020600624 494476975 /nfs/dbraw/zinc/47/69/75/494476975.db2.gz HUJNYVZHECWBPW-ZDUSSCGKSA-N 1 0 374.535 3.414 50 0 FGAARO C[NH+]1CCN(CCOc2ccc3cc(-c4ccccc4)c(=O)oc3c2)CC1 ZINC000020591282 494477321 /nfs/dbraw/zinc/47/73/21/494477321.db2.gz KQGSUIUUYWCLIS-UHFFFAOYSA-N 1 0 364.445 3.086 50 0 FGAARO C[C@@H]1C[N@H+]([C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000020906385 494482662 /nfs/dbraw/zinc/48/26/62/494482662.db2.gz INAJIWAZAPJDNT-DAYGRLMNSA-N 1 0 350.890 3.330 50 0 FGAARO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000020906007 494482807 /nfs/dbraw/zinc/48/28/07/494482807.db2.gz MMMJRGAVMJKWDQ-OAQYLSRUSA-N 1 0 365.521 3.487 50 0 FGAARO OCC[C@H]1C[N@H+](Cc2cccc3ncccc23)CCN1Cc1ccccc1 ZINC000020999652 494485497 /nfs/dbraw/zinc/48/54/97/494485497.db2.gz MQGDHLAOUWUUIE-NRFANRHFSA-N 1 0 361.489 3.304 50 0 FGAARO CCC[NH+](CCC)CCNC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000021158607 494489657 /nfs/dbraw/zinc/48/96/57/494489657.db2.gz KREKBWPZUAYOTL-UHFFFAOYSA-N 1 0 371.529 3.018 50 0 FGAARO CC[NH+](CC)CCn1c(C)c(C)c2c3nc(-c4ccco4)nn3cnc21 ZINC000021801882 494506589 /nfs/dbraw/zinc/50/65/89/494506589.db2.gz YDCHEVUQVIWTAX-UHFFFAOYSA-N 1 0 352.442 3.298 50 0 FGAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(C)c(Cl)c1 ZINC000021868444 494508911 /nfs/dbraw/zinc/50/89/11/494508911.db2.gz PBZCKTLLNNSBFP-UHFFFAOYSA-N 1 0 362.857 3.315 50 0 FGAARO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000022030065 494513762 /nfs/dbraw/zinc/51/37/62/494513762.db2.gz JNEBDUFKUCXJOW-RTWAWAEBSA-N 1 0 368.521 3.414 50 0 FGAARO C[NH+]1CCN(C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000022467367 494524613 /nfs/dbraw/zinc/52/46/13/494524613.db2.gz BQEJTOYWTWAQFQ-LJQANCHMSA-N 1 0 362.558 3.388 50 0 FGAARO Cc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1C ZINC000022579439 494527551 /nfs/dbraw/zinc/52/75/51/494527551.db2.gz GEUWISCOGXQGPS-OAQYLSRUSA-N 1 0 369.484 3.161 50 0 FGAARO Cc1ccc([C@H](CNC(=O)c2ccc(C)c(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022582499 494527723 /nfs/dbraw/zinc/52/77/23/494527723.db2.gz RYFIQHJQIVAVFE-QFIPXVFZSA-N 1 0 365.521 3.330 50 0 FGAARO CCc1ccc([C@H](CNC(=O)CCc2ccc3c(c2)OCO3)[NH+](C)C)cc1 ZINC000022684597 494531553 /nfs/dbraw/zinc/53/15/53/494531553.db2.gz VXOJDANACUUBHM-IBGZPJMESA-N 1 0 368.477 3.329 50 0 FGAARO Cc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1C ZINC000022794641 494535760 /nfs/dbraw/zinc/53/57/60/494535760.db2.gz GEUWISCOGXQGPS-NRFANRHFSA-N 1 0 369.484 3.161 50 0 FGAARO CN1CC[NH+](CC[C@@H]2CCCCN2C(=O)Nc2cccc(Cl)c2)CC1 ZINC000022935576 494543755 /nfs/dbraw/zinc/54/37/55/494543755.db2.gz LHKHANAQZQZTPA-SFHVURJKSA-N 1 0 364.921 3.364 50 0 FGAARO CC(C)c1cc(C2CC[NH+](CCn3c4ccccc4oc3=O)CC2)[nH]n1 ZINC000067459634 494545457 /nfs/dbraw/zinc/54/54/57/494545457.db2.gz QQIZRGUGQOXTOA-UHFFFAOYSA-N 1 0 354.454 3.321 50 0 FGAARO COc1ccc(-c2cc3nc(C)cc(NCCC[NH+](C)C)n3n2)cc1OC ZINC000023118829 494550673 /nfs/dbraw/zinc/55/06/73/494550673.db2.gz AVZHJVCXKCETKO-UHFFFAOYSA-N 1 0 369.469 3.086 50 0 FGAARO CN1C[C@H]([NH2+]C2CCN(c3ccc(-c4ccco4)cc3)CC2)CCC1=O ZINC000023159180 494554491 /nfs/dbraw/zinc/55/44/91/494554491.db2.gz CAJHYMBJNBEAKH-GOSISDBHSA-N 1 0 353.466 3.126 50 0 FGAARO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1c(F)cccc1F ZINC000023354625 494562239 /nfs/dbraw/zinc/56/22/39/494562239.db2.gz JNWZUQDNRFTBSJ-UHFFFAOYSA-N 1 0 359.420 3.111 50 0 FGAARO O=C(Nc1ccnn1C1CC[NH+](CC[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000067697055 494613062 /nfs/dbraw/zinc/61/30/62/494613062.db2.gz AKEDRJVGBJHBDF-QGZVFWFLSA-N 1 0 368.481 3.199 50 0 FGAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]Cc3ccccc3)C2=O)cc1 ZINC000067714481 494622710 /nfs/dbraw/zinc/62/27/10/494622710.db2.gz BBGSTWKGUMLTGP-QHCPKHFHSA-N 1 0 366.505 3.453 50 0 FGAARO COc1ccccc1Oc1ncccc1CNC(=O)[C@H]([NH3+])CC(C)(C)C ZINC000067725168 494624539 /nfs/dbraw/zinc/62/45/39/494624539.db2.gz JJHYSOFEEOJVHN-OAHLLOKOSA-N 1 0 357.454 3.262 50 0 FGAARO CCn1nc(C)c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)c1C ZINC000091620686 494628642 /nfs/dbraw/zinc/62/86/42/494628642.db2.gz CSOLRVAXTQBOAG-VQTJNVASSA-N 1 0 353.514 3.011 50 0 FGAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000067754729 494635959 /nfs/dbraw/zinc/63/59/59/494635959.db2.gz CLZZUTIKGVYHKJ-GOSISDBHSA-N 1 0 365.477 3.497 50 0 FGAARO NC(=O)c1ccc2[nH]c(C[N@@H+]3CC[C@@H](c4ccccc4F)C3)cc(=O)c2c1 ZINC000091665502 494638824 /nfs/dbraw/zinc/63/88/24/494638824.db2.gz SGWAGBMIZJDQHT-CQSZACIVSA-N 1 0 365.408 3.168 50 0 FGAARO COC(=O)c1cccc(C[NH+]2CCC(c3nc4c(cccc4C)[nH]3)CC2)n1 ZINC000067804561 494651432 /nfs/dbraw/zinc/65/14/32/494651432.db2.gz PHFSEAPCUAZAMG-UHFFFAOYSA-N 1 0 364.449 3.433 50 0 FGAARO O=C1CCC2(CC[NH+](C[C@H]3CCCCO3)CC2)CN1Cc1ccccc1 ZINC000091707025 494654938 /nfs/dbraw/zinc/65/49/38/494654938.db2.gz DJLBSKHSJBEFGH-HXUWFJFHSA-N 1 0 356.510 3.460 50 0 FGAARO Cc1nc([C@@H](C)Nc2nc(-c3ccncc3)nc3c2CC[NH2+]C3)cs1 ZINC000067841638 494663895 /nfs/dbraw/zinc/66/38/95/494663895.db2.gz CFIHVSXVJVTANQ-LLVKDONJSA-N 1 0 352.467 3.122 50 0 FGAARO O=c1n(C/C=C/c2ccccc2)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000067847414 494666189 /nfs/dbraw/zinc/66/61/89/494666189.db2.gz IYGGAMZLJIKGAG-BLRBJFNZSA-N 1 0 360.461 3.214 50 0 FGAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000075105188 494691384 /nfs/dbraw/zinc/69/13/84/494691384.db2.gz CYIVDQIFBCZBCZ-OXJNMPFZSA-N 1 0 367.534 3.014 50 0 FGAARO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)C[C@@H]1C=CCC1 ZINC000075106378 494691615 /nfs/dbraw/zinc/69/16/15/494691615.db2.gz DIPXIDICAGVYCO-NQIIRXRSSA-N 1 0 356.510 3.247 50 0 FGAARO CNc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)s1 ZINC000091830549 494693966 /nfs/dbraw/zinc/69/39/66/494693966.db2.gz USMWKPPYPWGGGI-DLBZAZTESA-N 1 0 370.522 3.230 50 0 FGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000067947917 494706230 /nfs/dbraw/zinc/70/62/30/494706230.db2.gz NBCMLSDPEZRGKT-GOSISDBHSA-N 1 0 364.449 3.171 50 0 FGAARO CC(=O)OC12C[C@@H]3C[C@H](C1)CC(c1nc(CC4CC[NH+](C)CC4)no1)(C3)C2 ZINC000067954941 494706970 /nfs/dbraw/zinc/70/69/70/494706970.db2.gz FMCYCMURBRJWIH-AGXSTUJCSA-N 1 0 373.497 3.107 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccsc1 ZINC000025328831 494722965 /nfs/dbraw/zinc/72/29/65/494722965.db2.gz QAJCREOVIWJETR-OALUTQOASA-N 1 0 374.506 3.339 50 0 FGAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000057378580 494727290 /nfs/dbraw/zinc/72/72/90/494727290.db2.gz QLDWFFSEBCJSTP-HZPDHXFCSA-N 1 0 371.456 3.237 50 0 FGAARO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H](c2ccccc2)N(C)C)c1C ZINC000025637834 494763444 /nfs/dbraw/zinc/76/34/44/494763444.db2.gz JUNSZGMUSJLQOE-SFTDATJTSA-N 1 0 356.510 3.244 50 0 FGAARO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573541 494874449 /nfs/dbraw/zinc/87/44/49/494874449.db2.gz GVZUQRXCNVSYKM-ZWKOTPCHSA-N 1 0 357.498 3.128 50 0 FGAARO COc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027604606 494876366 /nfs/dbraw/zinc/87/63/66/494876366.db2.gz YLHWCOXNVFVUQR-KRWDZBQOSA-N 1 0 360.479 3.089 50 0 FGAARO CCOC(=O)NCCCCC[NH+]1CCN(c2ccccc2SC)CC1 ZINC000096026660 494997278 /nfs/dbraw/zinc/99/72/78/494997278.db2.gz FDTUCIVPNBDBLI-UHFFFAOYSA-N 1 0 365.543 3.447 50 0 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COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(OC)c(C)c1)CC2 ZINC000091677220 523294344 /nfs/dbraw/zinc/29/43/44/523294344.db2.gz SCCVWLBVMUNVNO-UHFFFAOYSA-N 1 0 374.525 3.245 50 0 FGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000020449524 523349590 /nfs/dbraw/zinc/34/95/90/523349590.db2.gz LMFSOMXVXAPIIQ-FQEVSTJZSA-N 1 0 361.493 3.364 50 0 FGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1 ZINC000020515524 523351878 /nfs/dbraw/zinc/35/18/78/523351878.db2.gz YENADURZQPSUDS-OAQYLSRUSA-N 1 0 354.494 3.154 50 0 FGAARO COc1ccc(CC[C@H]2CCCCN2C(=O)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000157320386 523983661 /nfs/dbraw/zinc/98/36/61/523983661.db2.gz OPLLZOHHCWOGGG-QZTJIDSGSA-N 1 0 360.498 3.017 50 0 FGAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1c[nH]nc1-c1cccc(F)c1)C2 ZINC000020601282 524243773 /nfs/dbraw/zinc/24/37/73/524243773.db2.gz KIOZMOHFZWQOLV-KRWDZBQOSA-N 1 0 353.397 3.318 50 0 FGAARO Cc1ccc(CNC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)cc1 ZINC000091664182 524524699 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Cc1cc(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)on1 ZINC000221902549 568472692 /nfs/dbraw/zinc/47/26/92/568472692.db2.gz BUJHZIAAAMDVMV-PZJWPPBQSA-N 1 0 368.525 3.154 50 0 FGAARO COCCOc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)cn1 ZINC000108490344 570907266 /nfs/dbraw/zinc/90/72/66/570907266.db2.gz KRRGRWKQMQCECU-GHTZIAJQSA-N 1 0 369.509 3.107 50 0 FGAARO COC(=O)Nc1cccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000047711158 570930450 /nfs/dbraw/zinc/93/04/50/570930450.db2.gz GMIUVLHCCFUJRY-KRWDZBQOSA-N 1 0 374.416 3.428 50 0 FGAARO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(NC(=O)c2ccco2)c1 ZINC000048374066 570952381 /nfs/dbraw/zinc/95/23/81/570952381.db2.gz YPAMDBMOXILTGJ-KRWDZBQOSA-N 1 0 355.438 3.023 50 0 FGAARO CCN(CC)CC[NH2+]C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000049552146 570964352 /nfs/dbraw/zinc/96/43/52/570964352.db2.gz QLLAZIKNFIRIJK-PKTZIBPZSA-N 1 0 370.537 3.393 50 0 FGAARO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000083888586 571056948 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CCCC[C@H](NC(=O)C1CC[NH+](C2CCOCC2)CC1)c1cccnc1 ZINC000670451132 571352695 /nfs/dbraw/zinc/35/26/95/571352695.db2.gz ZNVZYBQCXLLSCC-FQEVSTJZSA-N 1 0 359.514 3.320 50 0 FGAARO CN(C)c1nc(Cl)c(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2)s1 ZINC000019955757 695641160 /nfs/dbraw/zinc/64/11/60/695641160.db2.gz UTOQXQRHDUCLSH-CQSZACIVSA-N 1 0 365.934 3.012 50 0 FGAARO O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832001 700219405 /nfs/dbraw/zinc/21/94/05/700219405.db2.gz NNFBEUQCMJPLJS-SFHVURJKSA-N 1 0 353.890 3.253 50 0 FGAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)C1 ZINC000108333735 700525111 /nfs/dbraw/zinc/52/51/11/700525111.db2.gz NLSKRDFGGXEASI-NSHDSACASA-N 1 0 355.360 3.138 50 0 FGAARO C[C@@](O)(C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccccc1 ZINC000183155289 705879435 /nfs/dbraw/zinc/87/94/35/705879435.db2.gz BJHOICPBSSYYQL-QGZVFWFLSA-N 1 0 353.388 3.447 50 0 FGAARO CC(C)(C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 ZINC000185091971 712683896 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CN(C)c1cccc(C(=O)NCC2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000043971673 209312034 /nfs/dbraw/zinc/31/20/34/209312034.db2.gz LXVWOQLATMCSOC-UHFFFAOYSA-N 1 0 357.523 3.456 50 0 FGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000105707843 209268154 /nfs/dbraw/zinc/26/81/54/209268154.db2.gz SZDREZZDYIYRNW-IEBWSBKVSA-N 1 0 356.853 3.034 50 0 FGAARO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c(-c2ccccc2)o1 ZINC000097766695 209196375 /nfs/dbraw/zinc/19/63/75/209196375.db2.gz XGKHMQZHNFFCOM-GOSISDBHSA-N 1 0 356.466 3.438 50 0 FGAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1cn2cccnc2n1 ZINC000097744929 209195607 /nfs/dbraw/zinc/19/56/07/209195607.db2.gz DQWNXUNTCPXFCA-LJQANCHMSA-N 1 0 363.465 3.076 50 0 FGAARO c1cc(C2CCCC2)sc1C[N@@H+]1CCCO[C@H](CN2CCOCC2)C1 ZINC000097744560 209194237 /nfs/dbraw/zinc/19/42/37/209194237.db2.gz OIJQJSUPUYHSQD-GOSISDBHSA-N 1 0 364.555 3.329 50 0 FGAARO Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000097729464 209192473 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CC(C)(CNC(=O)[C@@H]1COc2ccccc2C1)[N@@H+]1CCc2ccccc2C1 ZINC000096138299 209118326 /nfs/dbraw/zinc/11/83/26/209118326.db2.gz RBVMTLOALOIARH-FQEVSTJZSA-N 1 0 364.489 3.191 50 0 FGAARO CCc1[nH]nc(C(=O)N2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)c1C ZINC000096132893 209117606 /nfs/dbraw/zinc/11/76/06/209117606.db2.gz FVHAETJRIVIAMG-SFHVURJKSA-N 1 0 366.509 3.375 50 0 FGAARO COc1cc(CN2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000019496020 220261256 /nfs/dbraw/zinc/26/12/56/220261256.db2.gz FOBJMCDAWKXSBE-SJLPKXTDSA-N 1 0 362.514 3.409 50 0 FGAARO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434768 206895934 /nfs/dbraw/zinc/89/59/34/206895934.db2.gz IRZDOABOJRWRRF-QPRVAFDKSA-N 1 0 365.558 3.347 50 0 FGAARO COc1ccc([C@]2(O)CN(c3ccccc3OC)C3=[N+]2CCCCC3)cc1 ZINC000004086853 207000162 /nfs/dbraw/zinc/00/01/62/207000162.db2.gz ZMHWGQDMWVGOBB-JOCHJYFZSA-N 1 0 367.469 3.354 50 0 FGAARO CCCC[NH2+]Cc1ccc(OCC(=O)NCCc2ccccc2)c(OC)c1 ZINC000004820918 207051292 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COc1cccc(NC(=O)Nc2cc(C)cc(N3CC[NH+](C)CC3)c2)c1 ZINC000241383400 132289614 /nfs/dbraw/zinc/28/96/14/132289614.db2.gz MVCHDKUQMLUDEL-UHFFFAOYSA-N 1 0 354.454 3.399 50 0 FGAARO C[NH+]1CCN(c2ccc(-c3ccnn3C(=O)Nc3ccccc3)cc2)CC1 ZINC000003016084 132384690 /nfs/dbraw/zinc/38/46/90/132384690.db2.gz SRZYDFRYSQQTCO-UHFFFAOYSA-N 1 0 361.449 3.382 50 0 FGAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCc1ccccc1 ZINC000031094719 136117317 /nfs/dbraw/zinc/11/73/17/136117317.db2.gz IFBQLYUMUMTYOM-IBGZPJMESA-N 1 0 366.509 3.087 50 0 FGAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000048315751 136123540 /nfs/dbraw/zinc/12/35/40/136123540.db2.gz YBGYXQWRRALLDK-UHFFFAOYSA-N 1 0 367.428 3.015 50 0 FGAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CC(F)(F)F)C2)CC1 ZINC000055371346 136126750 /nfs/dbraw/zinc/12/67/50/136126750.db2.gz HMUZGWXYUKZICF-INIZCTEOSA-N 1 0 369.431 3.060 50 0 FGAARO Cc1cc2ccccc2nc1N1CCC[C@@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000063832255 136133106 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Cc1[nH]ccc1C(=O)N(C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000095530340 209079292 /nfs/dbraw/zinc/07/92/92/209079292.db2.gz UUJKSGFXFNMSSG-UHFFFAOYSA-N 1 0 357.473 3.489 50 0 FGAARO CC(C)C[NH+](CC(C)C)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O ZINC000009365348 263361268 /nfs/dbraw/zinc/36/12/68/263361268.db2.gz WVDBYCLUBRJMPP-LJQANCHMSA-N 1 0 367.440 3.303 50 0 FGAARO COc1ccc(C(=O)N(Cc2ccc(C)s2)C2CC2)cc1OCC[NH3+] ZINC000426370769 263567089 /nfs/dbraw/zinc/56/70/89/263567089.db2.gz YTZHPPLFLSLUPI-UHFFFAOYSA-N 1 0 360.479 3.207 50 0 FGAARO CC(C)[NH+](CCNC(=O)N1Cc2cnc(-c3ccccc3)nc2C1)C(C)C ZINC000426477259 263598214 /nfs/dbraw/zinc/59/82/14/263598214.db2.gz SCFQSGKOLDEOPQ-UHFFFAOYSA-N 1 0 367.497 3.288 50 0 FGAARO COCc1cc(N2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)ncn1 ZINC000426674016 263655455 /nfs/dbraw/zinc/65/54/55/263655455.db2.gz INZJGRJOHOVJFX-OAQYLSRUSA-N 1 0 358.530 3.496 50 0 FGAARO Cc1ccn2cc(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)nc2c1 ZINC000027930973 493766694 /nfs/dbraw/zinc/76/66/94/493766694.db2.gz 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ZINC000048390410 493825606 /nfs/dbraw/zinc/82/56/06/493825606.db2.gz UFCFOIHOHMLEMT-LJQANCHMSA-N 1 0 366.465 3.431 50 0 FGAARO Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000058170310 493829178 /nfs/dbraw/zinc/82/91/78/493829178.db2.gz RXRROCHGBLSSAP-ICSRJNTNSA-N 1 0 365.477 3.181 50 0 FGAARO COc1cccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)c1 ZINC000003049936 493830441 /nfs/dbraw/zinc/83/04/41/493830441.db2.gz JWWRDAFNACGHRY-HNNXBMFYSA-N 1 0 358.511 3.412 50 0 FGAARO Cc1noc(Cl)c1CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000058202477 493832919 /nfs/dbraw/zinc/83/29/19/493832919.db2.gz NKEQWLJMRPCYFG-UHFFFAOYSA-N 1 0 361.873 3.132 50 0 FGAARO COc1ccc(C)cc1[N+]1=C2SCCCN2C[C@]1(O)c1ccc(C)cc1 ZINC000003223830 493833552 /nfs/dbraw/zinc/83/35/52/493833552.db2.gz IFURUHVDTXMKIG-NRFANRHFSA-N 1 0 369.510 3.483 50 0 FGAARO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1OC(F)F ZINC000003290739 493835808 /nfs/dbraw/zinc/83/58/08/493835808.db2.gz YRHUCWMONVYLOQ-HNNXBMFYSA-N 1 0 364.392 3.329 50 0 FGAARO COc1ccccc1[C@H](CNC(=S)NCc1ccccc1)[NH+]1CCCC1 ZINC000003351582 493840185 /nfs/dbraw/zinc/84/01/85/493840185.db2.gz ISRJYAINPUNEIO-IBGZPJMESA-N 1 0 369.534 3.496 50 0 FGAARO Cc1ccc(NC(=O)[C@H]([NH2+]CCCN2CCCC2=O)c2ccccc2)cc1 ZINC000003453886 493846287 /nfs/dbraw/zinc/84/62/87/493846287.db2.gz MCWCQEYDEWPYCX-OAQYLSRUSA-N 1 0 365.477 3.277 50 0 FGAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000058370485 493847096 /nfs/dbraw/zinc/84/70/96/493847096.db2.gz FTOUIPUXPQZHPE-ZIAGYGMSSA-N 1 0 360.454 3.147 50 0 FGAARO Clc1cc(C[NH2+]Cc2ccnc(-n3cccn3)c2)cc2c1OCCCO2 ZINC000058369789 493847128 /nfs/dbraw/zinc/84/71/28/493847128.db2.gz ITMIOERKHCWOBU-UHFFFAOYSA-N 1 0 370.840 3.372 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cncc(Br)c1 ZINC000003477107 493847875 /nfs/dbraw/zinc/84/78/75/493847875.db2.gz AZLBVVFYAYWUKW-UHFFFAOYSA-N 1 0 374.282 3.239 50 0 FGAARO CCCCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000004123068 493865921 /nfs/dbraw/zinc/86/59/21/493865921.db2.gz RGHVXVWGZQXNDM-UHFFFAOYSA-N 1 0 362.543 3.222 50 0 FGAARO Cc1ccc(F)c(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1 ZINC000059746196 493908566 /nfs/dbraw/zinc/90/85/66/493908566.db2.gz MBLHYHJWZAPZQI-UHFFFAOYSA-N 1 0 368.449 3.026 50 0 FGAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCCc2ccccc21 ZINC000059818110 493909310 /nfs/dbraw/zinc/90/93/10/493909310.db2.gz ACHIICLEPWZRMF-KSSFIOAISA-N 1 0 352.434 3.087 50 0 FGAARO COc1cc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)ccc1OC(C)C ZINC000030900360 493912325 /nfs/dbraw/zinc/91/23/25/493912325.db2.gz JSELRVBNJVMPQM-UHFFFAOYSA-N 1 0 371.481 3.004 50 0 FGAARO CC(C)C[N@@H+]1CCCn2nc(CNc3cnc4ccccc4n3)cc2C1 ZINC000082108503 493978239 /nfs/dbraw/zinc/97/82/39/493978239.db2.gz AXKOHZVOVCVBDZ-UHFFFAOYSA-N 1 0 350.470 3.300 50 0 FGAARO C[NH+]1CCC(C2CCN(C(=O)c3ccccc3N3CCCC3)CC2)CC1 ZINC000082091874 493978741 /nfs/dbraw/zinc/97/87/41/493978741.db2.gz TVMSJWXWVHBCEO-UHFFFAOYSA-N 1 0 355.526 3.481 50 0 FGAARO CSc1ccc(Cl)c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000032267792 493978952 /nfs/dbraw/zinc/97/89/52/493978952.db2.gz MGNZZGZKTLDKON-ZDUSSCGKSA-N 1 0 356.919 3.149 50 0 FGAARO Cc1nn(Cc2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)c(C)c1Cl ZINC000032501759 493994186 /nfs/dbraw/zinc/99/41/86/493994186.db2.gz VOHYXLYUPHEAJZ-SFHVURJKSA-N 1 0 372.900 3.122 50 0 FGAARO C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032879763 494023688 /nfs/dbraw/zinc/02/36/88/494023688.db2.gz MZSAHILUJIKMEY-ZACQAIPSSA-N 1 0 369.509 3.372 50 0 FGAARO CS(=O)(=O)c1ccc(OCCC[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000069893878 494024630 /nfs/dbraw/zinc/02/46/30/494024630.db2.gz YBHNABPDBRETQT-GOSISDBHSA-N 1 0 359.491 3.349 50 0 FGAARO Cn1ccnc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000077298001 494051113 /nfs/dbraw/zinc/05/11/13/494051113.db2.gz SRLNJGNGABDLPS-MRXNPFEDSA-N 1 0 353.466 3.229 50 0 FGAARO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]CC3(SC)CCC3)C2)c1 ZINC000568455267 505697374 /nfs/dbraw/zinc/69/73/74/505697374.db2.gz BRXUQYZBWCEECK-HNNXBMFYSA-N 1 0 350.528 3.405 50 0 FGAARO Oc1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2nc(-c3cnccn3)no2)c1 ZINC000077345053 494062481 /nfs/dbraw/zinc/06/24/81/494062481.db2.gz DNSWTKQLLYFVEB-INIZCTEOSA-N 1 0 365.437 3.220 50 0 FGAARO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1c1ccc(C)cc1 ZINC000077437899 494082590 /nfs/dbraw/zinc/08/25/90/494082590.db2.gz ZCGOVIIOTDASPQ-AZUAARDMSA-N 1 0 364.449 3.082 50 0 FGAARO CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000077440498 494083975 /nfs/dbraw/zinc/08/39/75/494083975.db2.gz DGQROSZBCICQRZ-LJQANCHMSA-N 1 0 363.486 3.483 50 0 FGAARO CC(C)[C@H](CNC(=O)c1cn(C)nc1C(F)(F)F)[NH+]1CCCCCC1 ZINC000053025489 494085533 /nfs/dbraw/zinc/08/55/33/494085533.db2.gz VYQYFGCHDQHSHO-AWEZNQCLSA-N 1 0 360.424 3.069 50 0 FGAARO Cc1cccc(C[NH2+]C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)c1 ZINC000071738852 494096870 /nfs/dbraw/zinc/09/68/70/494096870.db2.gz QZIWMABHHDXXBX-HSZRJFAPSA-N 1 0 366.505 3.071 50 0 FGAARO CC(C)[C@@H]1C[N@H+](CCC(=O)NC2CC2)CCCN1Cc1ccc(F)cc1 ZINC000071751694 494097840 /nfs/dbraw/zinc/09/78/40/494097840.db2.gz UNIBNEDBPSOTGA-FQEVSTJZSA-N 1 0 361.505 3.027 50 0 FGAARO CSCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(-n2cccn2)cc1 ZINC000071759139 494099495 /nfs/dbraw/zinc/09/94/95/494099495.db2.gz PBZGHRMETAQPTE-IBGZPJMESA-N 1 0 353.495 3.296 50 0 FGAARO Cc1ccc(OC2(C(=O)N3CCC[C@H]3c3nccs3)CC[NH2+]CC2)cc1 ZINC000077521214 494103373 /nfs/dbraw/zinc/10/33/73/494103373.db2.gz BSFMJDVHKHDSKM-KRWDZBQOSA-N 1 0 371.506 3.316 50 0 FGAARO O=C(c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCCC1 ZINC000040024790 494127061 /nfs/dbraw/zinc/12/70/61/494127061.db2.gz KFCOSXJGPCWUAE-UHFFFAOYSA-N 1 0 363.505 3.240 50 0 FGAARO O=C(C[C@@H]1COCC[NH2+]1)N(CCc1c[nH]c2ccccc12)C1CCCCC1 ZINC000072133024 494130445 /nfs/dbraw/zinc/13/04/45/494130445.db2.gz YPTWDZDFHDYJSG-GOSISDBHSA-N 1 0 369.509 3.250 50 0 FGAARO O=C1C[C@@H]([NH2+]Cc2cnc(-c3cccs3)nc2)CN1c1ccccc1 ZINC000072133225 494131241 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CC(C)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)c(Br)c1 ZINC000065363946 494191118 /nfs/dbraw/zinc/19/11/18/494191118.db2.gz OQQDKTYTLMRPPY-UHFFFAOYSA-N 1 0 369.303 3.162 50 0 FGAARO CCNc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000065362437 494191402 /nfs/dbraw/zinc/19/14/02/494191402.db2.gz IBCDQCIFJZVMJG-UHFFFAOYSA-N 1 0 374.876 3.224 50 0 FGAARO c1ccc(N2CCN(c3ncccc3C[NH2+]C[C@@H]3CC=CCC3)CC2)nc1 ZINC000011817631 494192457 /nfs/dbraw/zinc/19/24/57/494192457.db2.gz AGHYLUHORIKRFO-LJQANCHMSA-N 1 0 363.509 3.249 50 0 FGAARO CSCCc1c(-c2ccccc2)ncn1CCN1CC[NH+](C(C)C)CC1 ZINC000065404514 494192990 /nfs/dbraw/zinc/19/29/90/494192990.db2.gz RSCFQKSTAKHDPY-UHFFFAOYSA-N 1 0 372.582 3.482 50 0 FGAARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCC2)cc1 ZINC000011845551 494193032 /nfs/dbraw/zinc/19/30/32/494193032.db2.gz ZXBOADCKEVGQQI-FQEVSTJZSA-N 1 0 355.482 3.379 50 0 FGAARO [NH3+]CCc1nc2ccccc2c(N(Cc2ccsc2)C[C@H]2CCCO2)n1 ZINC000065398058 494193100 /nfs/dbraw/zinc/19/31/00/494193100.db2.gz 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C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012786575 494258912 /nfs/dbraw/zinc/25/89/12/494258912.db2.gz UDKDTVOBTKOSMS-GHMZBOCLSA-N 1 0 358.829 3.187 50 0 FGAARO COc1cccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)Oc2ccccc2)c1 ZINC000012868200 494267320 /nfs/dbraw/zinc/26/73/20/494267320.db2.gz MWJAVVPXKCGGPJ-LJQANCHMSA-N 1 0 361.463 3.241 50 0 FGAARO CC(=O)Nc1nc2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2s1 ZINC000013691340 494293424 /nfs/dbraw/zinc/29/34/24/494293424.db2.gz DCUXBZHLALWVNJ-UHFFFAOYSA-N 1 0 374.510 3.294 50 0 FGAARO CCOC(=O)c1cn(C[C@H](C(C)C)[NH+](C)C)cc(Oc2ccccc2)c1=O ZINC000055091121 494299643 /nfs/dbraw/zinc/29/96/43/494299643.db2.gz PLXYZWNNNXRQNO-GOSISDBHSA-N 1 0 372.465 3.404 50 0 FGAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000014114923 494303780 /nfs/dbraw/zinc/30/37/80/494303780.db2.gz RTIJCVAESLRSDZ-UHFFFAOYSA-N 1 0 351.349 3.358 50 0 FGAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2oc1=O ZINC000055154654 494307232 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FGAARO C[NH+](C)CCCOc1ccc(CN(C(=O)c2ccccn2)C2CC2)cc1 ZINC000014982547 494331920 /nfs/dbraw/zinc/33/19/20/494331920.db2.gz ZMEOKLJDCAMFKM-UHFFFAOYSA-N 1 0 353.466 3.217 50 0 FGAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1cccs1 ZINC000014990963 494333439 /nfs/dbraw/zinc/33/34/39/494333439.db2.gz FURDGGMEALVQRK-MRXNPFEDSA-N 1 0 362.470 3.437 50 0 FGAARO CC[NH+](CC)[C@H](CNC(=O)c1snnc1C)c1ccccc1Cl ZINC000015859939 494371051 /nfs/dbraw/zinc/37/10/51/494371051.db2.gz AIVUKQGPGHYDNX-CQSZACIVSA-N 1 0 352.891 3.313 50 0 FGAARO Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCCC2)o1 ZINC000015860176 494371073 /nfs/dbraw/zinc/37/10/73/494371073.db2.gz WGWJRUXNQLHJOM-SFHVURJKSA-N 1 0 360.429 3.449 50 0 FGAARO CCN1C[C@H](C[N@H+](C)Cc2ccc(C(=O)OC)cc2)Oc2ccccc21 ZINC000016423449 494390043 /nfs/dbraw/zinc/39/00/43/494390043.db2.gz GKVGSZXCDDNYHX-SFHVURJKSA-N 1 0 354.450 3.193 50 0 FGAARO Cc1cccc(-c2cccc(N3CCC([NH2+]C[C@@H]4CCC(=O)N4)CC3)c2)c1 ZINC000019114253 494435423 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C[C@@H](C(=O)Nc1ccccc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022915953 494541956 /nfs/dbraw/zinc/54/19/56/494541956.db2.gz HHBMBTZRZOQYKW-KRWDZBQOSA-N 1 0 355.457 3.013 50 0 FGAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CO)C3)c(C)o2)c(OC)c1C ZINC000067588709 494575978 /nfs/dbraw/zinc/57/59/78/494575978.db2.gz PSWQVXOEHNZFQX-OAHLLOKOSA-N 1 0 360.454 3.180 50 0 FGAARO O=C(NCc1nc(-c2ccccc2)no1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000067614275 494585645 /nfs/dbraw/zinc/58/56/45/494585645.db2.gz XONHJEVEZJEQOP-UHFFFAOYSA-N 1 0 362.433 3.262 50 0 FGAARO COC(=O)CCCC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C)C2 ZINC000091468955 494604483 /nfs/dbraw/zinc/60/44/83/494604483.db2.gz GAOFGKDSNRLLIV-IBGZPJMESA-N 1 0 372.509 3.058 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)NC[C@@H](C)c3ccccc3)cnn2c1 ZINC000067676822 494606123 /nfs/dbraw/zinc/60/61/23/494606123.db2.gz WPYYWMDOPXTCIP-MRXNPFEDSA-N 1 0 365.481 3.105 50 0 FGAARO C[C@@H](C(=O)N1CCc2onc(-c3ccccc3)c2C1)[NH+]1CCC(C)CC1 ZINC000067688416 494612887 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O=C(N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)c1ccnc(Cl)c1 ZINC000012591348 207399082 /nfs/dbraw/zinc/39/90/82/207399082.db2.gz IFKHTZFZEAXVSC-KRWDZBQOSA-N 1 0 355.869 3.097 50 0 FGAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000012586880 207399479 /nfs/dbraw/zinc/39/94/79/207399479.db2.gz RYANKEIABMNEKJ-LJQANCHMSA-N 1 0 371.424 3.470 50 0 FGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000014538105 207521008 /nfs/dbraw/zinc/52/10/08/207521008.db2.gz LXCQEDUFUXLNDM-GOSISDBHSA-N 1 0 366.509 3.176 50 0 FGAARO COc1ccc([C@H](CNC(=O)COc2ccccc2C)[NH+]2CCCC2)cc1 ZINC000015951995 207574877 /nfs/dbraw/zinc/57/48/77/207574877.db2.gz TUCTYAWPANXDFM-FQEVSTJZSA-N 1 0 368.477 3.336 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1cc2c(c(Cl)c1)OCO2)c1ccsc1 ZINC000025330556 207890568 /nfs/dbraw/zinc/89/05/68/207890568.db2.gz CTCBFSNVWADPQL-ZDUSSCGKSA-N 1 0 352.843 3.163 50 0 FGAARO Cc1cc(C)cc(OCC[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000028727121 207974220 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FGAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccc(OC)cc2)CC2CC2)cc1 ZINC000036102416 208145867 /nfs/dbraw/zinc/14/58/67/208145867.db2.gz DPURGVDYMPOMEK-IBGZPJMESA-N 1 0 371.477 3.356 50 0 FGAARO COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1OC ZINC000036103674 208146609 /nfs/dbraw/zinc/14/66/09/208146609.db2.gz HNQJXIMZKSEBMK-GOSISDBHSA-N 1 0 359.466 3.354 50 0 FGAARO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000037218933 208178095 /nfs/dbraw/zinc/17/80/95/208178095.db2.gz IQDCACKLDXFLCU-ULQDDVLXSA-N 1 0 359.514 3.012 50 0 FGAARO CC(C)N(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000039551821 208214815 /nfs/dbraw/zinc/21/48/15/208214815.db2.gz SSORPPMLKBZMJS-OAQYLSRUSA-N 1 0 371.569 3.272 50 0 FGAARO CN1CC[N@H+](CCCNC(=O)c2ccc(F)c(F)c2)[C@H](c2ccccc2)C1 ZINC000040081476 208222808 /nfs/dbraw/zinc/22/28/08/208222808.db2.gz SGUHAWCNGKQMAB-FQEVSTJZSA-N 1 0 373.447 3.073 50 0 FGAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)Cc1cccc(F)c1 ZINC000040107646 208229827 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O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1SC[C@@H]1CCCO1 ZINC000048303917 208398641 /nfs/dbraw/zinc/39/86/41/208398641.db2.gz SKHUGYPNQCIOKK-RDJZCZTQSA-N 1 0 360.523 3.172 50 0 FGAARO CC(C)(C)n1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000058225422 208571471 /nfs/dbraw/zinc/57/14/71/208571471.db2.gz LUBHWBXGOGYLOY-OAHLLOKOSA-N 1 0 360.527 3.342 50 0 FGAARO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2c(C)noc2C)c(OC)c1 ZINC000065497080 208685192 /nfs/dbraw/zinc/68/51/92/208685192.db2.gz DRIDQFHYGUTNFH-QGZVFWFLSA-N 1 0 373.453 3.474 50 0 FGAARO c1cc(-c2nc3c(c(N[C@H]4COC5(C4)CCCCC5)n2)C[NH2+]C3)ccn1 ZINC000072151310 208812786 /nfs/dbraw/zinc/81/27/86/208812786.db2.gz BWXKDRCRYWAYNR-OAHLLOKOSA-N 1 0 351.454 3.046 50 0 FGAARO CSc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)cc1 ZINC000091426147 208974979 /nfs/dbraw/zinc/97/49/79/208974979.db2.gz QLDJHPOOIOQLLV-PKOBYXMFSA-N 1 0 367.518 3.427 50 0 FGAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(N)nc3)CC2)C1 ZINC000091664969 208987888 /nfs/dbraw/zinc/98/78/88/208987888.db2.gz WRKBNMIMLVKKFH-LJQANCHMSA-N 1 0 364.493 3.006 50 0 FGAARO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@@H](c2cccnc2)C2CC2)c1 ZINC000096012837 209096529 /nfs/dbraw/zinc/09/65/29/209096529.db2.gz BUCSYRWXRDNNQU-SPLOXXLWSA-N 1 0 369.465 3.017 50 0 FGAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc(C)ccc1O)C2 ZINC000091966274 209007750 /nfs/dbraw/zinc/00/77/50/209007750.db2.gz MDOOAKNFXHIEAH-DLBZAZTESA-N 1 0 369.465 3.042 50 0 FGAARO COc1cc(C[NH+]2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc(OC)c1 ZINC000092004006 209011150 /nfs/dbraw/zinc/01/11/50/209011150.db2.gz RGPLFOQMESQCMT-UHFFFAOYSA-N 1 0 372.509 3.318 50 0 FGAARO CN(C(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1)c1ccccc1 ZINC000095352385 209022924 /nfs/dbraw/zinc/02/29/24/209022924.db2.gz NYMOOCYEVQKUHM-SFHVURJKSA-N 1 0 369.513 3.271 50 0 FGAARO Cc1cccc(C[N@@H+]2CCC[C@H](c3nccn3Cc3cscn3)C2)n1 ZINC000095352680 209023120 /nfs/dbraw/zinc/02/31/20/209023120.db2.gz LHUBLCRUZBMNBH-INIZCTEOSA-N 1 0 353.495 3.471 50 0 FGAARO OCCOc1cccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000095353315 209023318 /nfs/dbraw/zinc/02/33/18/209023318.db2.gz VKSQOQNNNMCLIC-FCHUYYIVSA-N 1 0 366.505 3.154 50 0 FGAARO CC(=O)N1CC[C@]2(O)CC[N@@H+](C/C(=C\CC(C)C)c3ccccc3)C[C@@H]2C1 ZINC000095363890 209029735 /nfs/dbraw/zinc/02/97/35/209029735.db2.gz MNMLVCIFIHWQOF-QVOKGMLNSA-N 1 0 370.537 3.421 50 0 FGAARO Cc1cc(C)n([C@H]2CCN(C(=O)C[NH+]3CCC(c4ccccc4)CC3)C2)n1 ZINC000095365659 209030564 /nfs/dbraw/zinc/03/05/64/209030564.db2.gz HJCBHNKBQUHGQY-NRFANRHFSA-N 1 0 366.509 3.153 50 0 FGAARO CSc1ccccc1C(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000095386127 209043967 /nfs/dbraw/zinc/04/39/67/209043967.db2.gz DACUVPHPXJZQBS-INIZCTEOSA-N 1 0 372.538 3.186 50 0 FGAARO Cc1cccc2cc(C(=O)N3CCCO[C@H](C[NH+]4CCCCC4)C3)n(C)c21 ZINC000095372126 209034917 /nfs/dbraw/zinc/03/49/17/209034917.db2.gz XLEZQEIKTYEJAV-LJQANCHMSA-N 1 0 369.509 3.204 50 0 FGAARO COc1cccc([C@@H]2CN(C(=O)c3cccs3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095372076 209035810 /nfs/dbraw/zinc/03/58/10/209035810.db2.gz HRYFLHOXZHTYKO-DFQSSKMNSA-N 1 0 368.502 3.459 50 0 FGAARO CC(C)c1ncc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cn1 ZINC000095374391 209036823 /nfs/dbraw/zinc/03/68/23/209036823.db2.gz AXBLLYALSFYQKJ-AZUAARDMSA-N 1 0 351.498 3.091 50 0 FGAARO Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)cc1 ZINC000095379244 209039621 /nfs/dbraw/zinc/03/96/21/209039621.db2.gz HHISMMJCGOIBIR-LJQANCHMSA-N 1 0 354.498 3.163 50 0 FGAARO CCn1nc(C)c(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c1C ZINC000095383033 209041682 /nfs/dbraw/zinc/04/16/82/209041682.db2.gz VTUBGAUMWACMNE-IBGZPJMESA-N 1 0 366.509 3.158 50 0 FGAARO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Cl)s1 ZINC000095446105 209050898 /nfs/dbraw/zinc/05/08/98/209050898.db2.gz SXESVJGLBJQCTP-GJZGRUSLSA-N 1 0 364.898 3.014 50 0 FGAARO Cc1ccc([C@@H]2CN(C(=O)CCc3ccc(O)cc3)C[C@H]2[NH+](C)C)cc1 ZINC000095501734 209063289 /nfs/dbraw/zinc/06/32/89/209063289.db2.gz YJKOJCDTZCFQHU-LEWJYISDSA-N 1 0 352.478 3.189 50 0 FGAARO O=C(NCc1c[nH]nc1-c1cccs1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095511058 209069170 /nfs/dbraw/zinc/06/91/70/209069170.db2.gz LIIPDAJRCQEZSL-CQSZACIVSA-N 1 0 370.478 3.260 50 0 FGAARO Cc1ccc(C2(O)CC[NH+](C[C@H]3CCOc4ccccc4C3)CC2)nc1 ZINC000095517874 209070419 /nfs/dbraw/zinc/07/04/19/209070419.db2.gz WJZMLSZCDSTEHW-SFHVURJKSA-N 1 0 352.478 3.315 50 0 FGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C)cc1F)CC2 ZINC000095519821 209072336 /nfs/dbraw/zinc/07/23/36/209072336.db2.gz CVDDHTAEGKZUAZ-UHFFFAOYSA-N 1 0 370.472 3.257 50 0 FGAARO CCCN1CCc2nc[nH]c2C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000095519962 209072483 /nfs/dbraw/zinc/07/24/83/209072483.db2.gz KYLNFGOBVMOUQH-UHFFFAOYSA-N 1 0 350.510 3.136 50 0 FGAARO O=C1CC2(CN1Cc1ccc(F)c(F)c1)CCN(c1cc[nH+]cc1)CC2 ZINC000091604351 132202533 /nfs/dbraw/zinc/20/25/33/132202533.db2.gz CEZHXYBKRAXUEY-UHFFFAOYSA-N 1 0 357.404 3.379 50 0 FGAARO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@H]3c3ccco3)CC2)c1 ZINC000095363884 132208076 /nfs/dbraw/zinc/20/80/76/132208076.db2.gz ODKQTMJGQKAJDV-FQEVSTJZSA-N 1 0 367.493 3.464 50 0 FGAARO C[NH+](C)CCn1ccnc1C1CCN(c2ccc3c(n2)CCCC3)CC1 ZINC000095499837 132211940 /nfs/dbraw/zinc/21/19/40/132211940.db2.gz ITRJPFGHMVACSI-UHFFFAOYSA-N 1 0 353.514 3.103 50 0 FGAARO CCCc1cc(N2CCC([NH2+]C[C@H](O)c3ccccc3)CC2)nc(C)n1 ZINC000095523883 132214136 /nfs/dbraw/zinc/21/41/36/132214136.db2.gz UNFYBIJWWBBCQU-FQEVSTJZSA-N 1 0 354.498 3.030 50 0 FGAARO Cc1ccc(SC2CCN(c3cc(C4CC([NH3+])C4)nc(N)n3)CC2)cc1 ZINC000222756831 132277431 /nfs/dbraw/zinc/27/74/31/132277431.db2.gz NMVQRRWBXKTYAR-UHFFFAOYSA-N 1 0 369.538 3.333 50 0 FGAARO CC(C)(O)C[NH+]1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000225535869 132285273 /nfs/dbraw/zinc/28/52/73/132285273.db2.gz HMGIYWKUZMHWDM-UHFFFAOYSA-N 1 0 368.506 3.251 50 0 FGAARO O=C(NC1(C[NH+]2CCCC2)CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000244659810 132289943 /nfs/dbraw/zinc/28/99/43/132289943.db2.gz HJERTYNXKMBWCC-UHFFFAOYSA-N 1 0 371.525 3.052 50 0 FGAARO CCSc1nc2sc3c(c2c(N2CC[NH2+]CC2)n1)CC(C)(C)OC3 ZINC000002439787 132383445 /nfs/dbraw/zinc/38/34/45/132383445.db2.gz VLILIFBANMKCMB-UHFFFAOYSA-N 1 0 364.540 3.064 50 0 FGAARO O=C(Cc1ccccc1)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004712160 132824125 /nfs/dbraw/zinc/82/41/25/132824125.db2.gz PWMGGTUTVOKGOM-UHFFFAOYSA-N 1 0 363.505 3.042 50 0 FGAARO c1ccc(Cc2noc(-c3ccc(N4CC[N@@H+]5CCC[C@@H]5C4)nc3)n2)cc1 ZINC000039356395 136118979 /nfs/dbraw/zinc/11/89/79/136118979.db2.gz WEQVBFKCJIRKQH-GOSISDBHSA-N 1 0 361.449 3.007 50 0 FGAARO CCCCN1CC[NH+](C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000063855474 136132971 /nfs/dbraw/zinc/13/29/71/136132971.db2.gz JXDFNWSNLGAHQK-UHFFFAOYSA-N 1 0 367.541 3.259 50 0 FGAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Br ZINC000070928665 136138587 /nfs/dbraw/zinc/13/85/87/136138587.db2.gz RLYONZWLJONWFS-UHFFFAOYSA-N 1 0 374.282 3.491 50 0 FGAARO Cc1cccc(N2CCC([N@@H+]3CCC[C@]4(CN(C)C(=O)O4)C3)CC2)c1C ZINC000072476603 136149399 /nfs/dbraw/zinc/14/93/99/136149399.db2.gz HULWWHSDXFSATG-NRFANRHFSA-N 1 0 357.498 3.189 50 0 FGAARO CC(C)C[NH+](CC(C)C)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O ZINC000009365349 263360926 /nfs/dbraw/zinc/36/09/26/263360926.db2.gz WVDBYCLUBRJMPP-IBGZPJMESA-N 1 0 367.440 3.303 50 0 FGAARO Cc1noc(C)c1CN(C)C(=O)NCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000426473333 263596722 /nfs/dbraw/zinc/59/67/22/263596722.db2.gz ATHNSNZYYKYVMQ-SFHVURJKSA-N 1 0 370.497 3.231 50 0 FGAARO CN(Cc1ccccn1)C(=O)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000426604665 263643852 /nfs/dbraw/zinc/64/38/52/263643852.db2.gz WISXWSSJEGJVLE-UHFFFAOYSA-N 1 0 366.509 3.178 50 0 FGAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccccc1O ZINC000000784016 493772269 /nfs/dbraw/zinc/77/22/69/493772269.db2.gz WHGWZZZSNDKTSQ-UHFFFAOYSA-N 1 0 352.438 3.336 50 0 FGAARO CNc1cc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc2n1 ZINC000076017687 493809543 /nfs/dbraw/zinc/80/95/43/493809543.db2.gz DMXLXHNMQMDLDO-OWCLPIDISA-N 1 0 354.498 3.373 50 0 FGAARO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000002638553 493813125 /nfs/dbraw/zinc/81/31/25/493813125.db2.gz NJXITJKVUZNXHA-JOCHJYFZSA-N 1 0 368.521 3.297 50 0 FGAARO CCCNC(=O)NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(CC)cc1 ZINC000057929570 493816049 /nfs/dbraw/zinc/81/60/49/493816049.db2.gz RNDLYQRMLIGDJB-SFHVURJKSA-N 1 0 359.495 3.225 50 0 FGAARO COCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000068524018 493832912 /nfs/dbraw/zinc/83/29/12/493832912.db2.gz BJRIWMLHIAZMGO-QGZVFWFLSA-N 1 0 353.466 3.443 50 0 FGAARO CCOC(=O)c1c(NC(=O)CC[NH2+]Cc2ccco2)sc2c1CCC2 ZINC000003291306 493835775 /nfs/dbraw/zinc/83/57/75/493835775.db2.gz PTJXCYAIQZCZNN-UHFFFAOYSA-N 1 0 362.451 3.125 50 0 FGAARO C[N@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCc2ccccc21 ZINC000029488605 493841200 /nfs/dbraw/zinc/84/12/00/493841200.db2.gz ZWJDZSHSHKZZKC-HXUWFJFHSA-N 1 0 363.461 3.371 50 0 FGAARO Cc1cc(OC[C@@H](O)C[NH2+]CCCn2ccnc2)c(C(C)C)cc1Cl ZINC000003418293 493843466 /nfs/dbraw/zinc/84/34/66/493843466.db2.gz QFXPJIVKFIFQME-INIZCTEOSA-N 1 0 365.905 3.388 50 0 FGAARO CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)C[N@@H+](C)C(C)C)n2)cc1 ZINC000058341172 493845063 /nfs/dbraw/zinc/84/50/63/493845063.db2.gz YVBNWXCSWRJIFB-ZDUSSCGKSA-N 1 0 374.510 3.286 50 0 FGAARO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000058365137 493847170 /nfs/dbraw/zinc/84/71/70/493847170.db2.gz KNAPZDSLRKSGIV-AWEZNQCLSA-N 1 0 353.457 3.346 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)CC1 ZINC000004739331 493891387 /nfs/dbraw/zinc/89/13/87/493891387.db2.gz FLABPBWIAMSXCA-UHFFFAOYSA-N 1 0 367.493 3.463 50 0 FGAARO O=c1nc2n(CC[NH+]3CCCCC3)c3ccccc3n2nc1-c1ccccc1 ZINC000051325928 493961850 /nfs/dbraw/zinc/96/18/50/493961850.db2.gz OFKSFYPRQLWPKB-UHFFFAOYSA-N 1 0 373.460 3.197 50 0 FGAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccnc1Nc1ccccc1F ZINC000069492594 493975583 /nfs/dbraw/zinc/97/55/83/493975583.db2.gz SHLTVPNGKIFURM-QZTJIDSGSA-N 1 0 354.429 3.321 50 0 FGAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000032268685 493979238 /nfs/dbraw/zinc/97/92/38/493979238.db2.gz ABVVEXIVFVENAK-INIZCTEOSA-N 1 0 350.528 3.104 50 0 FGAARO Cc1scc(C(=O)NCc2cc3n(n2)CCC[NH2+]C3)c1-c1ccccc1 ZINC000082148345 493980944 /nfs/dbraw/zinc/98/09/44/493980944.db2.gz DZDADHJMCIRWPH-UHFFFAOYSA-N 1 0 366.490 3.343 50 0 FGAARO FC(F)(F)Oc1ccccc1CC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082137807 493981029 /nfs/dbraw/zinc/98/10/29/493981029.db2.gz FXPZNHXEOMODCV-HNNXBMFYSA-N 1 0 359.388 3.446 50 0 FGAARO COc1cc2c(cc1C[N@@H+]1CCCC[C@H]1CCc1nccn1C)OCO2 ZINC000077302319 494051872 /nfs/dbraw/zinc/05/18/72/494051872.db2.gz JZGKYSVZCGDIKR-INIZCTEOSA-N 1 0 357.454 3.145 50 0 FGAARO CC(C)n1cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cn1 ZINC000077356636 494066494 /nfs/dbraw/zinc/06/64/94/494066494.db2.gz WXZTZLSHIWDRDW-UHFFFAOYSA-N 1 0 354.498 3.245 50 0 FGAARO CCn1nc(C(C)C)cc1C(=O)N(Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000077470869 494089690 /nfs/dbraw/zinc/08/96/90/494089690.db2.gz RDRUGJYXMGGHEA-UHFFFAOYSA-N 1 0 369.513 3.158 50 0 FGAARO Cc1ccc2[nH]c(=O)c(C[NH+]3CCC(OCc4ccccn4)CC3)cc2c1 ZINC000071278729 494089778 /nfs/dbraw/zinc/08/97/78/494089778.db2.gz BGMJMVDVMSSDCP-UHFFFAOYSA-N 1 0 363.461 3.413 50 0 FGAARO C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000071376264 494092199 /nfs/dbraw/zinc/09/21/99/494092199.db2.gz SSEPQZRBORUHOT-GOSISDBHSA-N 1 0 356.441 3.363 50 0 FGAARO CN(C)C(=O)CC[N@@H+]1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071589435 494093832 /nfs/dbraw/zinc/09/38/32/494093832.db2.gz XPWASMOWOCCPLM-NRFANRHFSA-N 1 0 366.505 3.388 50 0 FGAARO CCNc1nc(C)c(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)s1 ZINC000071613862 494093914 /nfs/dbraw/zinc/09/39/14/494093914.db2.gz WJWIBMFMFQURJP-MRXNPFEDSA-N 1 0 364.559 3.466 50 0 FGAARO O=C(c1ccc(NCc2ccncc2)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000071552299 494094362 /nfs/dbraw/zinc/09/43/62/494094362.db2.gz GGQGTRXZGAQXCC-UHFFFAOYSA-N 1 0 364.493 3.300 50 0 FGAARO CCc1nc(C)c(C[N@@H+]2CCC(=O)N(Cc3ccccc3)[C@H](CC)C2)[nH]1 ZINC000071551999 494094563 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CC(C)C[NH+]1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)CC1 ZINC000065229886 494181065 /nfs/dbraw/zinc/18/10/65/494181065.db2.gz XJTNGQCGNOMAFH-UHFFFAOYSA-N 1 0 362.477 3.415 50 0 FGAARO O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000072477901 494181326 /nfs/dbraw/zinc/18/13/26/494181326.db2.gz XFIYUKQQVRADGF-UHFFFAOYSA-N 1 0 365.477 3.132 50 0 FGAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccc(Cl)cc1 ZINC000011697784 494187724 /nfs/dbraw/zinc/18/77/24/494187724.db2.gz KQYZKBGPZBNOTA-UHFFFAOYSA-N 1 0 368.828 3.111 50 0 FGAARO Cn1cc(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c2ccccc21 ZINC000065373410 494191534 /nfs/dbraw/zinc/19/15/34/494191534.db2.gz UDUOJYBLPHFWBZ-AZUAARDMSA-N 1 0 364.445 3.257 50 0 FGAARO O[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1c1ccc(F)cc1 ZINC000065383176 494192210 /nfs/dbraw/zinc/19/22/10/494192210.db2.gz HUELTKXDRBJMCY-LEWJYISDSA-N 1 0 351.425 3.362 50 0 FGAARO COc1ccc(OC)c([C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)c1 ZINC000065426321 494196361 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CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000012790027 494259662 /nfs/dbraw/zinc/25/96/62/494259662.db2.gz LEAPFBFLTBEGGC-CYBMUJFWSA-N 1 0 359.297 3.009 50 0 FGAARO C[C@@H](O)c1ccc(N2CC[NH+](CCC(=O)Nc3ccccc3)CC2)c(F)c1 ZINC000012824558 494263541 /nfs/dbraw/zinc/26/35/41/494263541.db2.gz CWTZVQPZEDHXIK-MRXNPFEDSA-N 1 0 371.456 3.030 50 0 FGAARO Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(C[NH+](C)C)cc3)c12 ZINC000012890427 494268435 /nfs/dbraw/zinc/26/84/35/494268435.db2.gz YZBWESMNDGFWFK-UHFFFAOYSA-N 1 0 364.449 3.400 50 0 FGAARO CC1CC[NH+](CCNC(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC000054780165 494270330 /nfs/dbraw/zinc/27/03/30/494270330.db2.gz MZDOAWXASKJNMH-UHFFFAOYSA-N 1 0 353.466 3.122 50 0 FGAARO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000013042183 494277332 /nfs/dbraw/zinc/27/73/32/494277332.db2.gz SDAXFDVLLNOLON-OAHLLOKOSA-N 1 0 351.450 3.410 50 0 FGAARO CCc1oc(C(=O)N(CC)[C@@H]2CCCC[C@H]2O)cc1C[NH+](CC)CC ZINC000055199317 494313186 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CCc1cccc(C)c1-n1nnnc1C1([NH2+]C)C2CC3CC(C2)CC1C3 ZINC000015414285 494353585 /nfs/dbraw/zinc/35/35/85/494353585.db2.gz BNIFRRWGCKVDQL-UHFFFAOYSA-N 1 0 351.498 3.404 50 0 FGAARO CC[N@H+](CCc1ccccc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000015442033 494354618 /nfs/dbraw/zinc/35/46/18/494354618.db2.gz USBFGAGHBFUDIF-UHFFFAOYSA-N 1 0 367.449 3.005 50 0 FGAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)ccc1OCC(N)=O ZINC000015837225 494369937 /nfs/dbraw/zinc/36/99/37/494369937.db2.gz KQWFWTUJBYPAAH-QGZVFWFLSA-N 1 0 358.413 3.036 50 0 FGAARO CCOC(=O)c1ccc(NC(=S)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000016274690 494382196 /nfs/dbraw/zinc/38/21/96/494382196.db2.gz BGYJGDUKJAXFGL-GOSISDBHSA-N 1 0 371.506 3.453 50 0 FGAARO CCNC(=O)N1CCc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cc21 ZINC000089977455 494418984 /nfs/dbraw/zinc/41/89/84/494418984.db2.gz NPFYCERSIMFNID-SFHVURJKSA-N 1 0 370.497 3.124 50 0 FGAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000019740657 494458359 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CSc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000022197788 494516289 /nfs/dbraw/zinc/51/62/89/494516289.db2.gz MCVLDFJUMQXJHN-UHFFFAOYSA-N 1 0 371.506 3.265 50 0 FGAARO O=C(CCc1ccccc1Cl)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022375585 494521808 /nfs/dbraw/zinc/52/18/08/494521808.db2.gz RHGPLOLGYCAMSV-UHFFFAOYSA-N 1 0 364.917 3.424 50 0 FGAARO COc1ccc(C[NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)c(OC)c1 ZINC000022787418 494535152 /nfs/dbraw/zinc/53/51/52/494535152.db2.gz YWHUNDAWXIJIEV-SFHVURJKSA-N 1 0 374.481 3.114 50 0 FGAARO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022931078 494543604 /nfs/dbraw/zinc/54/36/04/494543604.db2.gz OKBNWVNMFQPLOV-KRWDZBQOSA-N 1 0 355.457 3.013 50 0 FGAARO CN1CC[NH+](CC[C@@H]2CCCCN2C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000022935606 494543661 /nfs/dbraw/zinc/54/36/61/494543661.db2.gz HHVHVGYARCDIOQ-SFHVURJKSA-N 1 0 364.921 3.364 50 0 FGAARO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccc(F)cc1F ZINC000023039749 494547716 /nfs/dbraw/zinc/54/77/16/494547716.db2.gz 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CC(=O)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015582689 211132781 /nfs/dbraw/zinc/13/27/81/211132781.db2.gz UFDQPTAQZQOSAY-UHFFFAOYSA-N 1 0 366.461 3.049 50 0 FGAARO COc1cc2nc(N(C)C)c(C[NH2+]C3CCCC3)cc2c(OC)c1OC ZINC000014996171 211112873 /nfs/dbraw/zinc/11/28/73/211112873.db2.gz STFMDVMLUZLIDZ-UHFFFAOYSA-N 1 0 359.470 3.359 50 0 FGAARO CCN1CCC([NH2+][C@H]2CC(=O)N(Cc3cccc4ccccc43)C2)CC1 ZINC000014962095 211108390 /nfs/dbraw/zinc/10/83/90/211108390.db2.gz ZXYVOLARYQBMRD-FQEVSTJZSA-N 1 0 351.494 3.015 50 0 FGAARO O=C(c1cnccn1)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000014958665 211106943 /nfs/dbraw/zinc/10/69/43/211106943.db2.gz OZSDGLLRZJIOFK-OAQYLSRUSA-N 1 0 356.514 3.375 50 0 FGAARO COCC(=O)NC[C@@H]1CCC2(CC[NH+](C[C@H](C)CCC=C(C)C)CC2)O1 ZINC000014889028 211104285 /nfs/dbraw/zinc/10/42/85/211104285.db2.gz LBMYFMLTAPGMAZ-MOPGFXCFSA-N 1 0 366.546 3.145 50 0 FGAARO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@H]([NH+]1CCCCC1)C2 ZINC000014541010 211094918 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C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1F ZINC000002427325 210397585 /nfs/dbraw/zinc/39/75/85/210397585.db2.gz WFEFUEHMCIFZRR-SFHVURJKSA-N 1 0 366.392 3.039 50 0 FGAARO Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)C[NH+]2CCCCC2)[C@@H]3CCC1 ZINC000001240710 210338443 /nfs/dbraw/zinc/33/84/43/210338443.db2.gz CEJOHNZZTXVAFM-PGRDOPGGSA-N 1 0 367.537 3.490 50 0 FGAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000000895088 210289158 /nfs/dbraw/zinc/28/91/58/210289158.db2.gz RINYNDHGPMMUPG-UHFFFAOYSA-N 1 0 352.862 3.252 50 0 FGAARO C[C@H]([NH2+]CCOc1ccccc1F)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000049580910 221026044 /nfs/dbraw/zinc/02/60/44/221026044.db2.gz OTFHDNNBGDXCJA-HNAYVOBHSA-N 1 0 356.441 3.376 50 0 FGAARO O=C(NCCOc1ccccc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061036722 221133736 /nfs/dbraw/zinc/13/37/36/221133736.db2.gz AEBUHORZYBFAPM-UHFFFAOYSA-N 1 0 373.522 3.338 50 0 FGAARO Cn1nc(C2CC2)c2c1NC(=O)C[C@H]2c1cc(C[NH+]2CCCC2)cs1 ZINC000065396728 221210786 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CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000065564031 221234192 /nfs/dbraw/zinc/23/41/92/221234192.db2.gz QRMZNBYASUJKHW-RHSMWYFYSA-N 1 0 367.440 3.449 50 0 FGAARO Cc1c(C[N@H+](C)Cc2ccc(Cl)nc2)c(=O)n(-c2ccccc2)n1C ZINC000065497043 221226804 /nfs/dbraw/zinc/22/68/04/221226804.db2.gz RJKMEHVADMGFME-UHFFFAOYSA-N 1 0 356.857 3.165 50 0 FGAARO COc1cccc([C@@H]2CCN(Cc3[nH+]c(C)n4ccccc34)C[C@H]2O)c1 ZINC000065498121 221227295 /nfs/dbraw/zinc/22/72/95/221227295.db2.gz KITWNGMYUDBSIR-GHTZIAJQSA-N 1 0 351.450 3.002 50 0 FGAARO CCc1nccn1CCCNc1nc(CC[NH3+])nc2sc(C)c(C)c21 ZINC000065531025 221230771 /nfs/dbraw/zinc/23/07/71/221230771.db2.gz QQJNDQMGDVBLIB-UHFFFAOYSA-N 1 0 358.515 3.070 50 0 FGAARO COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000066350392 221245291 /nfs/dbraw/zinc/24/52/91/221245291.db2.gz YILPNLUWKUCJBY-NHCUHLMSSA-N 1 0 355.478 3.280 50 0 FGAARO COc1cccc2ccc(C[NH+]3CCC(O)(c4ccc(C)cn4)CC3)nc21 ZINC000067643167 221265326 /nfs/dbraw/zinc/26/53/26/221265326.db2.gz NEIHQFVOPKRZST-UHFFFAOYSA-N 1 0 363.461 3.430 50 0 FGAARO Cc1c(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cnn1C ZINC000067514205 221258580 /nfs/dbraw/zinc/25/85/80/221258580.db2.gz VFHRGGYEFZCHIP-OAQYLSRUSA-N 1 0 374.479 3.495 50 0 FGAARO CC(C)[C@@H]([NH3+])C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067559702 221259852 /nfs/dbraw/zinc/25/98/52/221259852.db2.gz UTNGFSWXZRTZFV-OAHLLOKOSA-N 1 0 367.371 3.492 50 0 FGAARO C[N@H+](Cc1ccccc1)C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067641763 221264153 /nfs/dbraw/zinc/26/41/53/221264153.db2.gz SEJHKQCHENDGKQ-QFIPXVFZSA-N 1 0 358.526 3.442 50 0 FGAARO Cc1cc(C[NH2+]C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)cc(C)n1 ZINC000067723971 221276241 /nfs/dbraw/zinc/27/62/41/221276241.db2.gz HCFFDPPKHDBFGP-JOCHJYFZSA-N 1 0 373.541 3.112 50 0 FGAARO Cc1ccc2c(c1)c(CNc1cc(C3CC[NH2+]CC3)nc(C)n1)nn2C ZINC000067727124 221278106 /nfs/dbraw/zinc/27/81/06/221278106.db2.gz HVKBIQRFIFUISG-UHFFFAOYSA-N 1 0 350.470 3.059 50 0 FGAARO C[C@@]1(C(=O)N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)CCC[NH2+]C1 ZINC000067675308 221269322 /nfs/dbraw/zinc/26/93/22/221269322.db2.gz CFIUCIARFIXBHJ-OAQYLSRUSA-N 1 0 370.472 3.312 50 0 FGAARO Cc1cc(N2C[C@H]3OC(=O)N(CCc4ccccn4)[C@H]3C2)c2ccccc2[nH+]1 ZINC000067756768 221281674 /nfs/dbraw/zinc/28/16/74/221281674.db2.gz LYDRQIUJMMWTML-LEWJYISDSA-N 1 0 374.444 3.190 50 0 FGAARO Cc1nc(NCc2c[nH]nc2-c2cccs2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000067787067 221285853 /nfs/dbraw/zinc/28/58/53/221285853.db2.gz XZFIPHLUJLSLQP-ZDUSSCGKSA-N 1 0 354.483 3.316 50 0 FGAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]Cc3ccoc3)C2=O)cc1 ZINC000067821601 221290627 /nfs/dbraw/zinc/29/06/27/221290627.db2.gz WPHQNFYGXUZVOI-NRFANRHFSA-N 1 0 356.466 3.046 50 0 FGAARO Cc1cc(C(=O)N2CCCC3(CC[NH2+]CC3)CC2)cc2sc(N)nc21 ZINC000067841117 221292660 /nfs/dbraw/zinc/29/26/60/221292660.db2.gz QPTQXDDUJDOHAS-UHFFFAOYSA-N 1 0 358.511 3.183 50 0 FGAARO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000067852415 221295296 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COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@H](C)CCSC ZINC000071752030 221363473 /nfs/dbraw/zinc/36/34/73/221363473.db2.gz GBNUKAVUXZUGLC-CYBMUJFWSA-N 1 0 363.527 3.220 50 0 FGAARO COc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000071752011 221363800 /nfs/dbraw/zinc/36/38/00/221363800.db2.gz SFUACLXSVHPFTD-BHDDXSALSA-N 1 0 362.473 3.398 50 0 FGAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NCC3CC3)CC2)CC1 ZINC000071754458 221365111 /nfs/dbraw/zinc/36/51/11/221365111.db2.gz RBMQSSNVKFWFOO-UHFFFAOYSA-N 1 0 369.553 3.198 50 0 FGAARO Cc1noc2nc(C)nc(N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c12 ZINC000077387816 132183421 /nfs/dbraw/zinc/18/34/21/132183421.db2.gz ISLCNLSBFGQCDZ-UHFFFAOYSA-N 1 0 367.497 3.325 50 0 FGAARO Cc1nc[nH]c1C[NH2+]C1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000095519772 132213937 /nfs/dbraw/zinc/21/39/37/132213937.db2.gz KYCXSDNYYDSNAA-UHFFFAOYSA-N 1 0 356.499 3.098 50 0 FGAARO Cc1cc(N2CCN(Cc3nn(C)c4cccc(Cl)c34)CC2)cc[nH+]1 ZINC000215938034 132270778 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Cc1cc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)cc[nH+]1 ZINC000072433040 136147087 /nfs/dbraw/zinc/14/70/87/136147087.db2.gz XOCMIKWWDAGZCJ-NRFANRHFSA-N 1 0 350.466 3.194 50 0 FGAARO CNc1cc(C)[nH+]c(N[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n1 ZINC000072478676 136149465 /nfs/dbraw/zinc/14/94/65/136149465.db2.gz BPPWDVZXNLOUKE-CYBMUJFWSA-N 1 0 366.391 3.321 50 0 FGAARO COCCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(N3CCCC3)c2C)C1 ZINC000096139399 222042438 /nfs/dbraw/zinc/04/24/38/222042438.db2.gz YATSOPGBVKPGOE-GOSISDBHSA-N 1 0 374.529 3.075 50 0 FGAARO Cc1nnc2n1[C@@H](C)CN(C(=O)c1ccc(C[NH+]3CCCCCC3)cc1)C2 ZINC000096140478 222044895 /nfs/dbraw/zinc/04/48/95/222044895.db2.gz ICQQQOGLFWONKT-INIZCTEOSA-N 1 0 367.497 3.180 50 0 FGAARO Cc1nc(-c2ccc(C[NH+]3CCN(C)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000096166425 222066104 /nfs/dbraw/zinc/06/61/04/222066104.db2.gz XVRZPAKNEGKURP-UHFFFAOYSA-N 1 0 365.456 3.129 50 0 FGAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC(O)(c2ccccc2)CC1 ZINC000097547370 222189818 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CCC(CC)[C@H](C[NH2+]Cc1ccc(-n2ccnc2)cc1)N1CCOCC1 ZINC000097287640 222173573 /nfs/dbraw/zinc/17/35/73/222173573.db2.gz ZSNFOVWOHJJZHQ-NRFANRHFSA-N 1 0 356.514 3.099 50 0 FGAARO COc1ccc(CN(Cc2ccccn2)C(=O)[C@H]2CCCCC[N@@H+]2C)cc1 ZINC000097637850 222201349 /nfs/dbraw/zinc/20/13/49/222201349.db2.gz AHVHDYKVUBKSTA-OAQYLSRUSA-N 1 0 367.493 3.493 50 0 FGAARO C[N@@H+]1CCCC[C@H]1C(=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000097642265 222201470 /nfs/dbraw/zinc/20/14/70/222201470.db2.gz YUCCQKMGFHWJIX-RJYAGPCLSA-N 1 0 354.498 3.437 50 0 FGAARO O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)c1cnc2c(c1)CCCC2 ZINC000097729737 222209143 /nfs/dbraw/zinc/20/91/43/222209143.db2.gz VOAXIIPTINPEPE-UHFFFAOYSA-N 1 0 365.477 3.060 50 0 FGAARO O=C(Nc1cccc(-c2c[nH]cn2)c1)N1CCC([NH+]2CCSCC2)CC1 ZINC000097797565 222214681 /nfs/dbraw/zinc/21/46/81/222214681.db2.gz NGPZVEACNKFQFU-UHFFFAOYSA-N 1 0 371.510 3.122 50 0 FGAARO Cc1cccc(CN2CC[N@H+](Cc3cc(C)c(C)cc3C)C[C@H]2CCO)n1 ZINC000104504398 222358976 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CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)NCC[C@H]1CCCC[N@@H+]1C ZINC000426507893 263613613 /nfs/dbraw/zinc/61/36/13/263613613.db2.gz OAIDDNDRBIPKMG-GOSISDBHSA-N 1 0 373.476 3.232 50 0 FGAARO CCNC(=O)NC(=O)C[N@H+](Cc1ccc(C)cc1)[C@H]1CCc2ccccc21 ZINC000058028973 493822165 /nfs/dbraw/zinc/82/21/65/493822165.db2.gz VLKFVMJFAWQJMD-FQEVSTJZSA-N 1 0 365.477 3.330 50 0 FGAARO CCC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000048390411 493825461 /nfs/dbraw/zinc/82/54/61/493825461.db2.gz UFCFOIHOHMLEMT-IBGZPJMESA-N 1 0 366.465 3.431 50 0 FGAARO C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(N3CCC[N@H+](C)CC3)nc2)o1 ZINC000058108242 493826105 /nfs/dbraw/zinc/82/61/05/493826105.db2.gz HWQDOMGGHQSOTL-APWZRJJASA-N 1 0 354.498 3.230 50 0 FGAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(F)cc1 ZINC000058137817 493826904 /nfs/dbraw/zinc/82/69/04/493826904.db2.gz NBNWRKKEFBICGK-ZDUSSCGKSA-N 1 0 355.413 3.007 50 0 FGAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1ccccc1O ZINC000029370336 493835380 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O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1Br ZINC000030363480 493888274 /nfs/dbraw/zinc/88/82/74/493888274.db2.gz KDHFYZUMNNRFSN-UHFFFAOYSA-N 1 0 359.267 3.237 50 0 FGAARO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Br)C1)N1CCCC1 ZINC000004745214 493891033 /nfs/dbraw/zinc/89/10/33/493891033.db2.gz JTMCVIHPBVCGPP-HNNXBMFYSA-N 1 0 351.288 3.284 50 0 FGAARO CCOC(=O)C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000006703545 493974694 /nfs/dbraw/zinc/97/46/94/493974694.db2.gz CZVYQDQMCMBVDD-UHFFFAOYSA-N 1 0 356.260 3.103 50 0 FGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2ncc3c2cccc3Cl)C1 ZINC000006768234 493978704 /nfs/dbraw/zinc/97/87/04/493978704.db2.gz JVPZZUDMBLFUPV-GJZGRUSLSA-N 1 0 362.905 3.174 50 0 FGAARO CCC[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000082155826 493980730 /nfs/dbraw/zinc/98/07/30/493980730.db2.gz FJXIUDMJRGELEX-TZMCWYRMSA-N 1 0 364.433 3.056 50 0 FGAARO O=C(CCc1nc2ccccc2[nH]1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032400469 493986414 /nfs/dbraw/zinc/98/64/14/493986414.db2.gz 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494073473 /nfs/dbraw/zinc/07/34/73/494073473.db2.gz YLGFMMPRCMRFNG-UHFFFAOYSA-N 1 0 357.523 3.161 50 0 FGAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000035365927 494075022 /nfs/dbraw/zinc/07/50/22/494075022.db2.gz PBDQECPQIPZIES-GDBMZVCRSA-N 1 0 356.919 3.225 50 0 FGAARO Cc1nc[nH]c1C[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000077394515 494075550 /nfs/dbraw/zinc/07/55/50/494075550.db2.gz UUFMMOSWCSRAOG-UHFFFAOYSA-N 1 0 372.900 3.386 50 0 FGAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000008267195 494079682 /nfs/dbraw/zinc/07/96/82/494079682.db2.gz OPIJXTKETWLPDC-HUUCEWRRSA-N 1 0 373.888 3.371 50 0 FGAARO CCn1ccc2c1cccc2C[N@@H+]1CCC[C@@H](C(=O)c2nccn2C)C1 ZINC000077455578 494087185 /nfs/dbraw/zinc/08/71/85/494087185.db2.gz CMTRZIQZTLEMLQ-QGZVFWFLSA-N 1 0 350.466 3.490 50 0 FGAARO O=C(c1ccc2cc[nH]c2c1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077524457 494104642 /nfs/dbraw/zinc/10/46/42/494104642.db2.gz ICIBHWDLVOSBAQ-UHFFFAOYSA-N 1 0 359.473 3.483 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1 ZINC000038629035 494115401 /nfs/dbraw/zinc/11/54/01/494115401.db2.gz XNXLQAGJQKHOIJ-KRWDZBQOSA-N 1 0 358.507 3.215 50 0 FGAARO O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000040013507 494125754 /nfs/dbraw/zinc/12/57/54/494125754.db2.gz XGGIATAKQZQSOB-SINXNMPMSA-N 1 0 364.445 3.382 50 0 FGAARO CC1(C)CC(NC(=O)c2ccccc2OC[C@@H]2CCCO2)CC(C)(C)[NH2+]1 ZINC000040047604 494127864 /nfs/dbraw/zinc/12/78/64/494127864.db2.gz YOMDWYRTOMMVKT-INIZCTEOSA-N 1 0 360.498 3.283 50 0 FGAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1-n1nc(C)cc1C ZINC000072122227 494128038 /nfs/dbraw/zinc/12/80/38/494128038.db2.gz QODQVXXWEWOVLE-HXUWFJFHSA-N 1 0 354.498 3.370 50 0 FGAARO [NH3+]C1(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000072137383 494131757 /nfs/dbraw/zinc/13/17/57/494131757.db2.gz HSSZBCQUIHHASH-KRWDZBQOSA-N 1 0 364.445 3.392 50 0 FGAARO CC[C@H](C)Oc1ccc(C[N@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)cc1Cl 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FGAARO C[C@H](CNc1nc(-c2cccnc2)nc2c1C[NH2+]C2)N(C)c1ccccc1 ZINC000072168762 494142157 /nfs/dbraw/zinc/14/21/57/494142157.db2.gz OHXXAVXQDSUUNZ-OAHLLOKOSA-N 1 0 360.465 3.079 50 0 FGAARO Cc1cc(NCCN2CCOCC2)c2cc(OC(F)(F)F)ccc2[nH+]1 ZINC000072286166 494147518 /nfs/dbraw/zinc/14/75/18/494147518.db2.gz JXQFPRXYPCPGJH-UHFFFAOYSA-N 1 0 355.360 3.186 50 0 FGAARO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc([S@@](C)=O)cc2)c1 ZINC000072309633 494150743 /nfs/dbraw/zinc/15/07/43/494150743.db2.gz QAAXMDIYCKFCDX-VWLOTQADSA-N 1 0 359.495 3.197 50 0 FGAARO Cc1nccn1CCCC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000072314242 494151615 /nfs/dbraw/zinc/15/16/15/494151615.db2.gz UPEJNEAUBLOSLD-UHFFFAOYSA-N 1 0 354.498 3.095 50 0 FGAARO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000072313861 494151954 /nfs/dbraw/zinc/15/19/54/494151954.db2.gz LIZSTYICLRWCMA-CHWSQXEVSA-N 1 0 363.811 3.179 50 0 FGAARO COc1cc(C[NH2+]CCOCCO)ccc1OCc1cccc(Cl)c1 ZINC000010436177 494153026 /nfs/dbraw/zinc/15/30/26/494153026.db2.gz 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3.106 50 0 FGAARO Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000011853335 494193761 /nfs/dbraw/zinc/19/37/61/494193761.db2.gz BWQHZQIYXOVLNT-UHFFFAOYSA-N 1 0 351.494 3.246 50 0 FGAARO COc1cc(C[NH2+][C@H]2CC(=O)N(CC(C)(C)C)C2)cc(Cl)c1OC ZINC000011878703 494194353 /nfs/dbraw/zinc/19/43/53/494194353.db2.gz NOHDLMFDUQVMNU-ZDUSSCGKSA-N 1 0 354.878 3.094 50 0 FGAARO CC(C)c1ccc(CN2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000011873430 494195081 /nfs/dbraw/zinc/19/50/81/494195081.db2.gz MJLKXHAVIAVBJR-DHIUTWEWSA-N 1 0 367.537 3.315 50 0 FGAARO O=C(c1ccc(OC2CC[NH+]([C@@H]3CCSC3)CC2)cc1)N1CCCC1 ZINC000012075640 494202411 /nfs/dbraw/zinc/20/24/11/494202411.db2.gz RYFKVVORCTXYPF-QGZVFWFLSA-N 1 0 360.523 3.271 50 0 FGAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)Cc1ccncc1 ZINC000012300429 494220257 /nfs/dbraw/zinc/22/02/57/494220257.db2.gz RIGHBYXVXZUDHN-UHFFFAOYSA-N 1 0 369.484 3.176 50 0 FGAARO CCc1[nH]nc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c1C ZINC000012300084 494220307 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c1ccc([C@H]([C@@H]2CCO[C@H]2n2nnc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000043454416 494298251 /nfs/dbraw/zinc/29/82/51/494298251.db2.gz JVTGDLZAVNBRJM-IOMROCGXSA-N 1 0 364.449 3.040 50 0 FGAARO COc1ccc(C[NH+]2CCC(Cc3nncn3-c3ccccc3)CC2)cn1 ZINC000055119953 494304932 /nfs/dbraw/zinc/30/49/32/494304932.db2.gz DBBXRECVCRBYCW-UHFFFAOYSA-N 1 0 363.465 3.126 50 0 FGAARO COc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cc1O ZINC000055171816 494310297 /nfs/dbraw/zinc/31/02/97/494310297.db2.gz VYGZZAPWESPEBD-UHFFFAOYSA-N 1 0 363.417 3.338 50 0 FGAARO CCOc1ccccc1CN(C(=O)C[C@@H]1C[N@@H+](C(C)C)CCO1)C1CC1 ZINC000055393053 494337268 /nfs/dbraw/zinc/33/72/68/494337268.db2.gz SANBFDOGWABICS-LJQANCHMSA-N 1 0 360.498 3.076 50 0 FGAARO Cc1cc2c(cc1C[NH+]1CCC(n3cc(C(C)(C)C)nn3)CC1)OCO2 ZINC000055413404 494340546 /nfs/dbraw/zinc/34/05/46/494340546.db2.gz WKSSGKVWSHNMRQ-UHFFFAOYSA-N 1 0 356.470 3.450 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cnc4ccccc4n3)cc2)CC1 ZINC000021892625 494509726 /nfs/dbraw/zinc/50/97/26/494509726.db2.gz LWWWFQCIGJPIDD-UHFFFAOYSA-N 1 0 361.449 3.024 50 0 FGAARO C[NH+]1CCC(NCc2nc(-c3ccccn3)c(-c3cccc(F)c3)[nH]2)CC1 ZINC000067540744 494561843 /nfs/dbraw/zinc/56/18/43/494561843.db2.gz JUGQBROBISLFHY-UHFFFAOYSA-N 1 0 365.456 3.462 50 0 FGAARO CC(C)n1cnnc1C[N@@H+]1CC[C@@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091462209 494604800 /nfs/dbraw/zinc/60/48/00/494604800.db2.gz PIQAEGBCZHGZIF-HXUWFJFHSA-N 1 0 359.518 3.006 50 0 FGAARO Cc1cccn2c(C[NH+]3CCC(NC(=O)NC4CCCCC4)CC3)cnc12 ZINC000092481263 494639637 /nfs/dbraw/zinc/63/96/37/494639637.db2.gz YEWWFMOCFKNVBT-UHFFFAOYSA-N 1 0 369.513 3.239 50 0 FGAARO Cc1cccn2c(C[NH+]3CCC(NC(=O)Nc4ccccc4)CC3)cnc12 ZINC000092480591 494641160 /nfs/dbraw/zinc/64/11/60/494641160.db2.gz UECLCLGLJNHCPR-UHFFFAOYSA-N 1 0 363.465 3.429 50 0 FGAARO C[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)CC[C@@]1(O)C1CCOCC1 ZINC000091746455 494664771 /nfs/dbraw/zinc/66/47/71/494664771.db2.gz RQHOIGPSKRCIAM-UZLBHIALSA-N 1 0 351.462 3.094 50 0 FGAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccccc1OC(F)(F)C(F)F)C2 ZINC000091756980 494667709 /nfs/dbraw/zinc/66/77/09/494667709.db2.gz ZUBLVHDSXUKHEM-NWDGAFQWSA-N 1 0 360.351 3.090 50 0 FGAARO CN1CC[C@]2(CN(Cc3ccc(C(C)(C)C)cc3)CC[N@@H+]2C)CCC1=O ZINC000091769034 494673558 /nfs/dbraw/zinc/67/35/58/494673558.db2.gz LBJIRMUCPMXQGM-QFIPXVFZSA-N 1 0 357.542 3.113 50 0 FGAARO COc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000047305932 494678375 /nfs/dbraw/zinc/67/83/75/494678375.db2.gz YFXRCBDDWYCUFN-UHFFFAOYSA-N 1 0 368.477 3.102 50 0 FGAARO C[C@H]1C[NH+](CCCCNC(=O)CCCc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000075107216 494690538 /nfs/dbraw/zinc/69/05/38/494690538.db2.gz JQUUXEQSUDELLD-ROUUACIJSA-N 1 0 371.525 3.496 50 0 FGAARO O=C(COc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000075107356 494691365 /nfs/dbraw/zinc/69/13/65/494691365.db2.gz XDSYMZRWBJUGHL-HDICACEKSA-N 1 0 370.880 3.309 50 0 FGAARO O=C(C[NH+]1CCC(COCc2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000075156579 494698531 /nfs/dbraw/zinc/69/85/31/494698531.db2.gz AWLUINPGAKBVEB-UHFFFAOYSA-N 1 0 350.890 3.191 50 0 FGAARO c1ncn(Cc2nnc(C3CC[NH+](C4CCCCCC4)CC3)n2C2CC2)n1 ZINC000091848729 494705080 /nfs/dbraw/zinc/70/50/80/494705080.db2.gz AZSDYORTQLIDNK-UHFFFAOYSA-N 1 0 369.517 3.155 50 0 FGAARO Fc1cc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)cc(F)c1F ZINC000091871382 494709520 /nfs/dbraw/zinc/70/95/20/494709520.db2.gz VJQKXQNXNNFYHY-CZUORRHYSA-N 1 0 354.416 3.179 50 0 FGAARO O=C(CCc1ccncc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091876388 494712105 /nfs/dbraw/zinc/71/21/05/494712105.db2.gz QOTNHJDDTNLBOA-PZJWPPBQSA-N 1 0 367.468 3.276 50 0 FGAARO CN1CC[NH+](Cc2ccc(-c3ncnn3CC3CCCCC3)cc2)CC1 ZINC000091895756 494715625 /nfs/dbraw/zinc/71/56/25/494715625.db2.gz XTQAKBQYPWWEIN-UHFFFAOYSA-N 1 0 353.514 3.273 50 0 FGAARO O=C1CCC2(CC[NH+](C[C@@H]3CC=CCC3)CC2)CN1CCc1c[nH]cn1 ZINC000091915363 494721115 /nfs/dbraw/zinc/72/11/15/494721115.db2.gz OOZAQHHGGGGOAC-GOSISDBHSA-N 1 0 356.514 3.013 50 0 FGAARO CC(C)n1cc(-c2cn([C@H]3CCC[N@H+](Cc4cccc(O)c4)C3)nn2)cn1 ZINC000091987880 494745363 /nfs/dbraw/zinc/74/53/63/494745363.db2.gz XCAOQKKEUDVINM-SFHVURJKSA-N 1 0 366.469 3.265 50 0 FGAARO CCc1ccccc1OC1CN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000092098193 494788137 /nfs/dbraw/zinc/78/81/37/494788137.db2.gz QSZFJJAOTNKZFK-UHFFFAOYSA-N 1 0 354.450 3.341 50 0 FGAARO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CCC(=O)N(C)C)CC2 ZINC000025918991 494789360 /nfs/dbraw/zinc/78/93/60/494789360.db2.gz KSLUPBDRIYIRNU-FQEVSTJZSA-N 1 0 374.506 3.191 50 0 FGAARO Cc1cccc(C)c1NC(=O)CN(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000026179693 494807136 /nfs/dbraw/zinc/80/71/36/494807136.db2.gz HVAYPAOCIHYQEH-UHFFFAOYSA-N 1 0 374.529 3.193 50 0 FGAARO CC1(C)CC(NC(=O)NCc2ccc(Cn3cccn3)cc2)CC(C)(C)[NH2+]1 ZINC000026179488 494807703 /nfs/dbraw/zinc/80/77/03/494807703.db2.gz XQRZFPUNULUNSO-UHFFFAOYSA-N 1 0 369.513 3.040 50 0 FGAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCn3cccn3)CC2)C1 ZINC000095353474 494961584 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O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000019781761 211254795 /nfs/dbraw/zinc/25/47/95/211254795.db2.gz SBQSPHMTAPPYFB-UHFFFAOYSA-N 1 0 361.449 3.118 50 0 FGAARO COc1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1C ZINC000019537120 211231736 /nfs/dbraw/zinc/23/17/36/211231736.db2.gz RSGUBFVTPUIXDB-UHFFFAOYSA-N 1 0 368.477 3.359 50 0 FGAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3F)C2=O)cc1 ZINC000018106438 211191310 /nfs/dbraw/zinc/19/13/10/211191310.db2.gz SIYKKZNHJPWOTF-LJQANCHMSA-N 1 0 370.424 3.079 50 0 FGAARO C[NH+](C)CCNC(=S)N[C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000017457971 211185712 /nfs/dbraw/zinc/18/57/12/211185712.db2.gz ZWKLQHUUOJCNDA-GOSISDBHSA-N 1 0 359.564 3.352 50 0 FGAARO Cc1ccc2oc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)nc2n1 ZINC000015867842 211149638 /nfs/dbraw/zinc/14/96/38/211149638.db2.gz RWDPSNXASDSVSK-UHFFFAOYSA-N 1 0 362.499 3.049 50 0 FGAARO CSc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccnc3)C2)cc1 ZINC000015078176 211121658 /nfs/dbraw/zinc/12/16/58/211121658.db2.gz VRAQSURCANPWIH-QGZVFWFLSA-N 1 0 355.507 3.446 50 0 FGAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(OC(C)C)c(CO)c1)C2 ZINC000015065477 211117731 /nfs/dbraw/zinc/11/77/31/211117731.db2.gz PYBNWJSBZJTGPP-SFHVURJKSA-N 1 0 357.450 3.068 50 0 FGAARO Cc1ccccc1C[C@@]1(CO)CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000015066560 211117565 /nfs/dbraw/zinc/11/75/65/211117565.db2.gz KPMLBXKAPNZOAL-QHCPKHFHSA-N 1 0 369.505 3.183 50 0 FGAARO O=C(CCC1CC[NH+](C[C@@H]2CCOC2)CC1)NCc1cccc(Cl)c1 ZINC000014979242 211110679 /nfs/dbraw/zinc/11/06/79/211110679.db2.gz BYCSHECRJMMQGG-SFHVURJKSA-N 1 0 364.917 3.485 50 0 FGAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000014543176 211093795 /nfs/dbraw/zinc/09/37/95/211093795.db2.gz BUBOJBHSQSRQPW-QGZVFWFLSA-N 1 0 372.488 3.027 50 0 FGAARO CCCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013717747 211052174 /nfs/dbraw/zinc/05/21/74/211052174.db2.gz RYYKZKXZODATMS-UHFFFAOYSA-N 1 0 353.426 3.353 50 0 FGAARO O=S(=O)(Cc1c(F)cccc1Cl)NCCC[NH+]1CCCCCC1 ZINC000013646623 211046468 /nfs/dbraw/zinc/04/64/68/211046468.db2.gz HAFWUDYBWYVCEQ-UHFFFAOYSA-N 1 0 362.898 3.165 50 0 FGAARO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1 ZINC000013038378 211021668 /nfs/dbraw/zinc/02/16/68/211021668.db2.gz MWMBUYQIBAILSZ-ZDUSSCGKSA-N 1 0 355.829 3.210 50 0 FGAARO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000012932257 211010657 /nfs/dbraw/zinc/01/06/57/211010657.db2.gz KGKSEQWRRWCRNI-UHFFFAOYSA-N 1 0 364.898 3.283 50 0 FGAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 ZINC000012883561 211001803 /nfs/dbraw/zinc/00/18/03/211001803.db2.gz JYDVWCCQIDSHNK-UHFFFAOYSA-N 1 0 357.479 3.088 50 0 FGAARO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012786567 210993153 /nfs/dbraw/zinc/99/31/53/210993153.db2.gz UDKDTVOBTKOSMS-WDEREUQCSA-N 1 0 358.829 3.187 50 0 FGAARO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000012382479 210950302 /nfs/dbraw/zinc/95/03/02/210950302.db2.gz LRLOVPHMUJQAGH-CYBMUJFWSA-N 1 0 369.303 3.205 50 0 FGAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](CCC(C)C)CC1 ZINC000012030241 210909606 /nfs/dbraw/zinc/90/96/06/210909606.db2.gz ZRZKBPKLDCQKOY-UHFFFAOYSA-N 1 0 360.498 3.477 50 0 FGAARO CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000009365928 210830434 /nfs/dbraw/zinc/83/04/34/210830434.db2.gz LFRMMFLUKMWTOC-UHFFFAOYSA-N 1 0 372.490 3.079 50 0 FGAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cnn(Cc2ccccc2)c1 ZINC000008013120 210765473 /nfs/dbraw/zinc/76/54/73/210765473.db2.gz QMTLKHPPKCXZGI-UHFFFAOYSA-N 1 0 374.488 3.457 50 0 FGAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000002448556 210399257 /nfs/dbraw/zinc/39/92/57/210399257.db2.gz SGKIEVYXEHGYBR-UHFFFAOYSA-N 1 0 357.454 3.466 50 0 FGAARO Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)[NH+](C)C)cc1 ZINC000010328889 210355813 /nfs/dbraw/zinc/35/58/13/210355813.db2.gz LDOZXROBRVKYGS-ZDUSSCGKSA-N 1 0 351.244 3.383 50 0 FGAARO CCOC(=O)c1ccc(OC[C@H](O)C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000009862397 210342245 /nfs/dbraw/zinc/34/22/45/210342245.db2.gz VDOWGORELMFZSD-PQGQHUGISA-N 1 0 373.493 3.161 50 0 FGAARO COc1ccc(-n2c(=O)c3ccccc3nc2SCC[NH+](C)C)cc1 ZINC000001301153 210341251 /nfs/dbraw/zinc/34/12/51/210341251.db2.gz GPIKJIFIGDYFNV-UHFFFAOYSA-N 1 0 355.463 3.048 50 0 FGAARO C[C@H](Cc1ccccc1)[NH2+]CC(=O)Nc1cc(N(C)C)nc2ccccc21 ZINC000001306931 210340494 /nfs/dbraw/zinc/34/04/94/210340494.db2.gz DYHXPTWXDVZTSN-MRXNPFEDSA-N 1 0 362.477 3.460 50 0 FGAARO CCN1CCN(C(=O)C2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CC1 ZINC000000785839 210270300 /nfs/dbraw/zinc/27/03/00/210270300.db2.gz VZDDZROJQALZKE-UHFFFAOYSA-N 1 0 357.542 3.186 50 0 FGAARO NC(=O)c1ccccc1NC(=O)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025911652 220499836 /nfs/dbraw/zinc/49/98/36/220499836.db2.gz FPJXBCXMAYNBHO-UHFFFAOYSA-N 1 0 365.477 3.069 50 0 FGAARO CCCc1nn2c(nc(C[N@H+](CC)Cc3ccc(F)cc3)cc2=O)s1 ZINC000064592888 221149386 /nfs/dbraw/zinc/14/93/86/221149386.db2.gz LGCHWFZLBJYMDD-UHFFFAOYSA-N 1 0 360.458 3.265 50 0 FGAARO CCc1ccc(-c2cn3cc(C(=O)N4CCC[N@H+](C)CC4)ccc3n2)cc1 ZINC000065229935 221182789 /nfs/dbraw/zinc/18/27/89/221182789.db2.gz PEQWLXKVKKCWDM-UHFFFAOYSA-N 1 0 362.477 3.341 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(-c2oc3c(cccc3C)c2C)no1 ZINC000065010066 221164077 /nfs/dbraw/zinc/16/40/77/221164077.db2.gz SMGRCDGGIVHGRC-AWEZNQCLSA-N 1 0 368.437 3.314 50 0 FGAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000065373485 221205194 /nfs/dbraw/zinc/20/51/94/221205194.db2.gz IRXMLKYSGKSJPZ-IBGZPJMESA-N 1 0 353.466 3.403 50 0 FGAARO CC1(C)C[NH2+]CCN1Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1 ZINC000065397043 221210577 /nfs/dbraw/zinc/21/05/77/221210577.db2.gz BVPCOEPVTRHFKB-UHFFFAOYSA-N 1 0 359.420 3.401 50 0 FGAARO Cc1ccc(CNC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)cc1 ZINC000065255129 221188461 /nfs/dbraw/zinc/18/84/61/221188461.db2.gz NMIIACKGUWVFMZ-UHFFFAOYSA-N 1 0 362.477 3.371 50 0 FGAARO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)C1 ZINC000065426564 221216881 /nfs/dbraw/zinc/21/68/81/221216881.db2.gz XKIUYYFOWIXQFU-MRXNPFEDSA-N 1 0 362.433 3.180 50 0 FGAARO O=c1c2c(ncn1Cc1cc(Cl)ccc1Cl)sc1c2CC[NH2+]C1 ZINC000065425940 221217271 /nfs/dbraw/zinc/21/72/71/221217271.db2.gz UDAVCSOLYRPZTL-UHFFFAOYSA-N 1 0 366.273 3.459 50 0 FGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[C@H](Nc2ccccc2)C1 ZINC000065565321 221234062 /nfs/dbraw/zinc/23/40/62/221234062.db2.gz DRYTVWSNVROCEJ-OALUTQOASA-N 1 0 368.481 3.313 50 0 FGAARO Cc1ccc(NC(=O)C[NH2+]C2CCN(Cc3cccc(O)c3)CC2)cc1C ZINC000065505513 221228424 /nfs/dbraw/zinc/22/84/24/221228424.db2.gz GAOJRTSFDPEBAJ-UHFFFAOYSA-N 1 0 367.493 3.202 50 0 FGAARO O=C(CC1CC[NH+](Cc2ccccc2)CC1)Nc1cnc2n1CCCC2 ZINC000067472954 221255443 /nfs/dbraw/zinc/25/54/43/221255443.db2.gz PHGMNVCIUHJSSA-UHFFFAOYSA-N 1 0 352.482 3.460 50 0 FGAARO Cc1ccc(Sc2cc(-c3cccc4c3O[C@@H](C[NH3+])C4)nc(N)n2)cc1 ZINC000067723012 221276303 /nfs/dbraw/zinc/27/63/03/221276303.db2.gz XATUODTZUZEFEZ-CQSZACIVSA-N 1 0 364.474 3.448 50 0 FGAARO CC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067674135 221267861 /nfs/dbraw/zinc/26/78/61/221267861.db2.gz ZUEIDKFEBRDRKU-LJQANCHMSA-N 1 0 370.472 3.406 50 0 FGAARO CC(C)[C@H]1C=CC[N@@H+]1Cc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1 ZINC000067712959 221274267 /nfs/dbraw/zinc/27/42/67/221274267.db2.gz RJMPOWVJOAAYPZ-HXUWFJFHSA-N 1 0 363.461 3.434 50 0 FGAARO COc1ccc(-c2nc(CN3CCC[C@H](C[NH3+])C3)c(C)o2)c(OC)c1C ZINC000067847511 221293777 /nfs/dbraw/zinc/29/37/77/221293777.db2.gz CQWVFTAHLKDANW-OAHLLOKOSA-N 1 0 359.470 3.146 50 0 FGAARO [NH3+]C[C@@H]1Cc2c(ccc3cc(-c4cc(C(=O)NC5CC5)ccn4)ccc23)O1 ZINC000067850748 221294828 /nfs/dbraw/zinc/29/48/28/221294828.db2.gz OLKJRQSWNHRTIG-KRWDZBQOSA-N 1 0 359.429 3.056 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3cccc4cccnc43)cnn2c1 ZINC000067851108 221295173 /nfs/dbraw/zinc/29/51/73/221295173.db2.gz YZUPCTFHQMJFMK-UHFFFAOYSA-N 1 0 374.448 3.372 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc(C(C)=O)cc3)cnn2c1 ZINC000067920456 221304917 /nfs/dbraw/zinc/30/49/17/221304917.db2.gz JCFKOSZKGOVBRP-UHFFFAOYSA-N 1 0 365.437 3.026 50 0 FGAARO COc1cccc(-c2n[nH]cc2-c2nc(CC3CC[NH+](C)CC3)no2)c1 ZINC000067921766 221305720 /nfs/dbraw/zinc/30/57/20/221305720.db2.gz HWYXNHSDWOCQNH-UHFFFAOYSA-N 1 0 353.426 3.020 50 0 FGAARO C[C@@H](Nc1cc(C2CC[NH2+]CC2)ncn1)c1ccc2c(c1)OCCCO2 ZINC000067974483 221310833 /nfs/dbraw/zinc/31/08/33/221310833.db2.gz BFDICKVJXKDMSE-CQSZACIVSA-N 1 0 354.454 3.278 50 0 FGAARO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000069221951 221322787 /nfs/dbraw/zinc/32/27/87/221322787.db2.gz CDNXUBZQODHZAP-KGLIPLIRSA-N 1 0 352.862 3.060 50 0 FGAARO CC(C)(C)OC(=O)NC1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000070459691 221333015 /nfs/dbraw/zinc/33/30/15/221333015.db2.gz RBGXOFMNJBJTTH-MRXNPFEDSA-N 1 0 354.878 3.363 50 0 FGAARO O=C(Nc1ccccc1Cn1cccn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069519319 221326224 /nfs/dbraw/zinc/32/62/24/221326224.db2.gz FRKNVRBYTMXETE-GOSISDBHSA-N 1 0 353.470 3.024 50 0 FGAARO O=c1n(CCCc2ccccc2)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000071747755 221359409 /nfs/dbraw/zinc/35/94/09/221359409.db2.gz LVWAOGPRCFPGBC-IBGZPJMESA-N 1 0 362.477 3.134 50 0 FGAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071751169 221362249 /nfs/dbraw/zinc/36/22/49/221362249.db2.gz YKYWAAXPQBQHSV-OAQYLSRUSA-N 1 0 369.553 3.294 50 0 FGAARO Cc1[nH]c2c(cc(C)cc2CNC(=O)CC[C@H](C)[NH+]2CCOCC2)c1C ZINC000071751510 221362626 /nfs/dbraw/zinc/36/26/26/221362626.db2.gz SZUDFTNETRQFJD-HNNXBMFYSA-N 1 0 357.498 3.210 50 0 FGAARO Cc1ccc(-c2ccnc(NCc3c(C)ncc4c3CC[NH2+]C4)n2)c(C)n1 ZINC000071755130 221364995 /nfs/dbraw/zinc/36/49/95/221364995.db2.gz ISSDARGBZZEROX-UHFFFAOYSA-N 1 0 360.465 3.117 50 0 FGAARO O=C(c1cccc2c1OCC2)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072131743 221414375 /nfs/dbraw/zinc/41/43/75/221414375.db2.gz KDSPQYFLMBELKJ-BHDDXSALSA-N 1 0 374.484 3.324 50 0 FGAARO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@@H]3c3ccco3)CC2)c1 ZINC000095363883 132207970 /nfs/dbraw/zinc/20/79/70/132207970.db2.gz ODKQTMJGQKAJDV-HXUWFJFHSA-N 1 0 367.493 3.464 50 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FGAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CCn2nc3ccccn3c2=O)cc1 ZINC000032778033 494015737 /nfs/dbraw/zinc/01/57/37/494015737.db2.gz DUXFQPZTHNSLLM-IBGZPJMESA-N 1 0 366.465 3.122 50 0 FGAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000077200649 494030877 /nfs/dbraw/zinc/03/08/77/494030877.db2.gz DYFCCZYUILHUHB-KRWDZBQOSA-N 1 0 372.469 3.320 50 0 FGAARO CC(=O)c1cc(CC(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)cs1 ZINC000077343171 494061852 /nfs/dbraw/zinc/06/18/52/494061852.db2.gz ZLYGUPISBPMADI-RBUKOAKNSA-N 1 0 370.518 3.358 50 0 FGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000077356557 494066770 /nfs/dbraw/zinc/06/67/70/494066770.db2.gz FZLBMILBBAUNNI-UHFFFAOYSA-N 1 0 362.433 3.398 50 0 FGAARO CCOc1c(Br)cc(C[NH2+]C2CCC(O)CC2)cc1OC ZINC000035161308 494073197 /nfs/dbraw/zinc/07/31/97/494073197.db2.gz ZJISYIQCOOUWFE-UHFFFAOYSA-N 1 0 358.276 3.250 50 0 FGAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cccc(Cn2cccn2)c1 ZINC000077386404 494073398 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[NH3+][C@H]1CCCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 ZINC000072165078 494140903 /nfs/dbraw/zinc/14/09/03/494140903.db2.gz GKEQVYNNJHJGDE-SFHVURJKSA-N 1 0 360.461 3.493 50 0 FGAARO CCOc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc(=O)[nH]c(C)n3)C1)CCC2 ZINC000072163598 494141066 /nfs/dbraw/zinc/14/10/66/494141066.db2.gz XDAJISGEEUKCLS-GOSISDBHSA-N 1 0 367.493 3.345 50 0 FGAARO C[C@@H](CNc1nc(-c2cccnc2)nc2c1C[NH2+]C2)N(C)c1ccccc1 ZINC000072168761 494141942 /nfs/dbraw/zinc/14/19/42/494141942.db2.gz OHXXAVXQDSUUNZ-HNNXBMFYSA-N 1 0 360.465 3.079 50 0 FGAARO OCC[NH2+]CCNCc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040720680 494145841 /nfs/dbraw/zinc/14/58/41/494145841.db2.gz RTNRFIFDBIAMAM-UHFFFAOYSA-N 1 0 369.292 3.244 50 0 FGAARO OCC[NH2+]CCNCc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040719518 494146489 /nfs/dbraw/zinc/14/64/89/494146489.db2.gz NORAYELQMXKKNG-UHFFFAOYSA-N 1 0 369.292 3.244 50 0 FGAARO Cc1nc([C@]2(O)CCC[NH2+]CC2)sc1CCOc1ccccc1F ZINC000072343621 494154576 /nfs/dbraw/zinc/15/45/76/494154576.db2.gz 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FGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CSc2ccccn2)C1 ZINC000011937029 494198634 /nfs/dbraw/zinc/19/86/34/494198634.db2.gz IKMKKBRODAVFMG-SFHVURJKSA-N 1 0 355.507 3.297 50 0 FGAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000012053830 494201349 /nfs/dbraw/zinc/20/13/49/494201349.db2.gz RHMGWURYSHCURP-IBGZPJMESA-N 1 0 372.509 3.379 50 0 FGAARO O=C(c1ccoc1)N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000042209237 494209878 /nfs/dbraw/zinc/20/98/78/494209878.db2.gz PCBPQJASDMDQIM-UHFFFAOYSA-N 1 0 368.412 3.203 50 0 FGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cnccn1 ZINC000012300568 494220071 /nfs/dbraw/zinc/22/00/71/494220071.db2.gz YEMQOAOQIQVAEC-GOSISDBHSA-N 1 0 370.472 3.033 50 0 FGAARO C[N@@H+]1CCC[C@@H](C(=O)NCc2cccnc2Oc2ccc(F)cc2F)C1 ZINC000012299400 494220332 /nfs/dbraw/zinc/22/03/32/494220332.db2.gz SERXKQVFSFQKPL-CQSZACIVSA-N 1 0 361.392 3.110 50 0 FGAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000012301046 494221196 /nfs/dbraw/zinc/22/11/96/494221196.db2.gz JWLIBLFBBKIJFT-CYBMUJFWSA-N 1 0 363.408 3.417 50 0 FGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(Cc4ncc[nH]4)C3)C2)c1 ZINC000012306251 494221318 /nfs/dbraw/zinc/22/13/18/494221318.db2.gz QSEKNTBFUUHULX-FQEVSTJZSA-N 1 0 358.461 3.046 50 0 FGAARO Cc1occc1C(=O)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012448508 494234969 /nfs/dbraw/zinc/23/49/69/494234969.db2.gz RUOHMCYKIUXNFK-LJQANCHMSA-N 1 0 353.466 3.357 50 0 FGAARO C[N@@H+]1CCCN(C(=O)c2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000078241819 494261020 /nfs/dbraw/zinc/26/10/20/494261020.db2.gz OBQLGTMPNUUDTM-UHFFFAOYSA-N 1 0 365.886 3.153 50 0 FGAARO CSc1nnc(CC2CC[NH+](CCOCc3ccccc3)CC2)n1C ZINC000055074052 494297043 /nfs/dbraw/zinc/29/70/43/494297043.db2.gz AOJHIBIKYVJFAQ-UHFFFAOYSA-N 1 0 360.527 3.008 50 0 FGAARO CCC(CC)C[N@@H+]1CCOc2ccc(CN3CCC[C@H]3C(=O)OC)cc2C1 ZINC000055099821 494301134 /nfs/dbraw/zinc/30/11/34/494301134.db2.gz RUVZBEFQKYLHEF-FQEVSTJZSA-N 1 0 374.525 3.455 50 0 FGAARO Cc1c(NCc2cccnc2)cccc1C(=O)N1CC([NH+]2CCCCC2)C1 ZINC000055182629 494311064 /nfs/dbraw/zinc/31/10/64/494311064.db2.gz HSVSPKOTPYLXJR-UHFFFAOYSA-N 1 0 364.493 3.312 50 0 FGAARO CCN(C(=O)CN(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1nc2ccccc2s1 ZINC000078969736 494385998 /nfs/dbraw/zinc/38/59/98/494385998.db2.gz VEUADMIEZRXZOT-WBVHZDCISA-N 1 0 374.554 3.311 50 0 FGAARO COc1ccc([C@H](C)NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1F ZINC000078988579 494389608 /nfs/dbraw/zinc/38/96/08/494389608.db2.gz VNRUXMHGJXXXQX-LBPRGKRZSA-N 1 0 355.373 3.298 50 0 FGAARO CC[C@H](C)NC(=S)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000020153677 494468698 /nfs/dbraw/zinc/46/86/98/494468698.db2.gz DIOMXZUOZQUEFZ-HNNXBMFYSA-N 1 0 371.554 3.380 50 0 FGAARO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(F)c1 ZINC000056422215 494503535 /nfs/dbraw/zinc/50/35/35/494503535.db2.gz JKQVLDCZSAYGFX-OAHLLOKOSA-N 1 0 356.445 3.246 50 0 FGAARO CCN1CCC[C@H]1C[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000022936454 494543101 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CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)cc1)C2 ZINC000091736864 494660754 /nfs/dbraw/zinc/66/07/54/494660754.db2.gz DYVYZSBBARGMJS-WIYYLYMNSA-N 1 0 364.493 3.375 50 0 FGAARO Cc1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)c(C)c1=O ZINC000091736546 494661756 /nfs/dbraw/zinc/66/17/56/494661756.db2.gz HIBPMSIILBSXNT-JOCHJYFZSA-N 1 0 371.525 3.139 50 0 FGAARO C[C@@H](COc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057177848 494669751 /nfs/dbraw/zinc/66/97/51/494669751.db2.gz MPIWETGSGGOYQR-SFHVURJKSA-N 1 0 352.478 3.482 50 0 FGAARO CC[NH+](CC)Cc1cccc(NC(=O)c2cnc3c(c2)c(C)nn3C)c1 ZINC000024927273 494680207 /nfs/dbraw/zinc/68/02/07/494680207.db2.gz XZGUWYGVAUFTNQ-UHFFFAOYSA-N 1 0 351.454 3.371 50 0 FGAARO CC(=O)Nc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000025063775 494695079 /nfs/dbraw/zinc/69/50/79/494695079.db2.gz JSNWZKPFBYZVIR-GOSISDBHSA-N 1 0 371.506 3.202 50 0 FGAARO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)c2cc(CC(C)C)nn2C)C1 ZINC000091859883 494708005 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CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)nc2ccccc21 ZINC000249684736 497231989 /nfs/dbraw/zinc/23/19/89/497231989.db2.gz FAZXWAVEMUXQQK-QGZVFWFLSA-N 1 0 354.498 3.281 50 0 FGAARO Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000237513388 497249390 /nfs/dbraw/zinc/24/93/90/497249390.db2.gz FPFVDMJRIDTREP-OMAIJTBJSA-N 1 0 372.900 3.245 50 0 FGAARO [NH3+][C@H]1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000237844873 497301791 /nfs/dbraw/zinc/30/17/91/497301791.db2.gz DVUKGOXGQWIBGT-NSHDSACASA-N 1 0 352.221 3.354 50 0 FGAARO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1nc(C2CC2)cs1 ZINC000252489819 497305025 /nfs/dbraw/zinc/30/50/25/497305025.db2.gz KBMALZAGUDOWAF-JTQLQIEISA-N 1 0 368.300 3.123 50 0 FGAARO CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000252510456 497308337 /nfs/dbraw/zinc/30/83/37/497308337.db2.gz ZLGBXVRWJUKZJP-HNNXBMFYSA-N 1 0 362.477 3.235 50 0 FGAARO CC[NH+](CC)Cc1ccc(NC(=O)CCc2cccc(C(=O)NC)c2)cc1 ZINC000252508360 497308415 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FGAARO CCC[N@@H+]1CCC[C@H](Cn2cc(COc3ccc4c(c3)CCC4)nn2)C1 ZINC000257190782 497388463 /nfs/dbraw/zinc/38/84/63/497388463.db2.gz NTKXOGVIKIXRTA-KRWDZBQOSA-N 1 0 354.498 3.468 50 0 FGAARO [NH3+][C@@H](C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)C1CCOCC1 ZINC000261967663 497485126 /nfs/dbraw/zinc/48/51/26/497485126.db2.gz LJDCHABTSDKLBB-QGZVFWFLSA-N 1 0 361.829 3.220 50 0 FGAARO CC[N@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289384016 498127903 /nfs/dbraw/zinc/12/79/03/498127903.db2.gz CMZAVUANANNZTM-CQSZACIVSA-N 1 0 361.454 3.462 50 0 FGAARO O=C(C[C@H]1CCCc2ccccc21)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333465969 499010701 /nfs/dbraw/zinc/01/07/01/499010701.db2.gz HLFZZZGHLDYARC-QGZVFWFLSA-N 1 0 364.493 3.160 50 0 FGAARO Nc1ncccc1C[N@@H+]1CC[C@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000426500056 500280753 /nfs/dbraw/zinc/28/07/53/500280753.db2.gz FXARAGBNFRFVCK-NRFANRHFSA-N 1 0 356.514 3.059 50 0 FGAARO Cn1c(SCCCC(=O)c2ccc(F)cc2)nnc1C1CC[NH2+]CC1 ZINC000426563536 500289413 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O=C(NCC1CC[NH2+]CC1)c1ccc(-c2ccc(C(F)(F)F)nc2)cc1 ZINC000534631687 504195892 /nfs/dbraw/zinc/19/58/92/504195892.db2.gz BPAJEAHCODEISF-UHFFFAOYSA-N 1 0 363.383 3.497 50 0 FGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)NCCCn1cccc1 ZINC000534667769 504210450 /nfs/dbraw/zinc/21/04/50/504210450.db2.gz LZFYSPXADVWWIT-UHFFFAOYSA-N 1 0 354.498 3.316 50 0 FGAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C\c2cc(Br)ccc2F)C1 ZINC000606442102 507406553 /nfs/dbraw/zinc/40/65/53/507406553.db2.gz QRWNNCKHVOIPHE-DJFZKKHWSA-N 1 0 355.251 3.059 50 0 FGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)N(C)Cc3nccs3)CC2)o1 ZINC000584890029 507556348 /nfs/dbraw/zinc/55/63/48/507556348.db2.gz MDWVELOOBFFJKV-UHFFFAOYSA-N 1 0 362.499 3.098 50 0 FGAARO CN(CC[C@H](O)c1ccccc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000584888062 507557331 /nfs/dbraw/zinc/55/73/31/507557331.db2.gz FQBAQODDHYLOJK-FQEVSTJZSA-N 1 0 359.514 3.159 50 0 FGAARO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccsc3)C2)c(OC)c1 ZINC000585150053 507579417 /nfs/dbraw/zinc/57/94/17/507579417.db2.gz JMRSAOSAGOITTE-CQSZACIVSA-N 1 0 361.467 3.161 50 0 FGAARO CC(=O)NCc1cc2n(n1)CCN(Cc1ccc(-c3ccccc3)s1)C2 ZINC000082134081 519674928 /nfs/dbraw/zinc/67/49/28/519674928.db2.gz PYJQNWQNMZHDBY-UHFFFAOYSA-N 1 0 366.490 3.264 50 0 FGAARO CCCOc1cccc(C[NH2+]CCSc2nnnn2-c2ccccc2)c1 ZINC000020925017 520452623 /nfs/dbraw/zinc/45/26/23/520452623.db2.gz IPLRWNUXNKRBHC-UHFFFAOYSA-N 1 0 369.494 3.333 50 0 FGAARO CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1cc2n(n1)CC[N@@H+](CC(C)C)C2 ZINC000082161082 520843316 /nfs/dbraw/zinc/84/33/16/520843316.db2.gz UPMBXUYERPIZDE-OAQYLSRUSA-N 1 0 364.493 3.074 50 0 FGAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000020202770 520959671 /nfs/dbraw/zinc/95/96/71/520959671.db2.gz UFKQTVHBWKEKTR-GOSISDBHSA-N 1 0 371.481 3.171 50 0 FGAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000020202772 520961683 /nfs/dbraw/zinc/96/16/83/520961683.db2.gz UFKQTVHBWKEKTR-SFHVURJKSA-N 1 0 371.481 3.171 50 0 FGAARO CCCn1ncc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)c1C ZINC000091304529 521671857 /nfs/dbraw/zinc/67/18/57/521671857.db2.gz BDNOARGPNVKERL-PZJWPPBQSA-N 1 0 353.514 3.093 50 0 FGAARO CN(C)Cc1nnc(C2CC[NH+](CCc3ccccc3)CC2)n1C1CC1 ZINC000082120224 521939463 /nfs/dbraw/zinc/93/94/63/521939463.db2.gz YYEUPYQESDSUIY-UHFFFAOYSA-N 1 0 353.514 3.097 50 0 FGAARO C[NH2+]C1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)CC1 ZINC000179141430 521949673 /nfs/dbraw/zinc/94/96/73/521949673.db2.gz CSZIOMZFQIYOAI-UHFFFAOYSA-N 1 0 366.387 3.024 50 0 FGAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccn(C(F)F)n1 ZINC000082146859 522658536 /nfs/dbraw/zinc/65/85/36/522658536.db2.gz ILSJKBOERXCJAM-UHFFFAOYSA-N 1 0 362.424 3.262 50 0 FGAARO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000020539427 522958784 /nfs/dbraw/zinc/95/87/84/522958784.db2.gz RBBABVISSYOABY-LJQANCHMSA-N 1 0 366.509 3.170 50 0 FGAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](CCC=C(C)C)CC1 ZINC000091663556 523206548 /nfs/dbraw/zinc/20/65/48/523206548.db2.gz JGKIWBYVHCNMKS-UHFFFAOYSA-N 1 0 356.518 3.387 50 0 FGAARO Cc1ccc(CC(=O)NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)cc1C ZINC000082138909 524265536 /nfs/dbraw/zinc/26/55/36/524265536.db2.gz OXRVKEBSQSYWOX-UHFFFAOYSA-N 1 0 368.525 3.221 50 0 FGAARO Cc1cc(C)cc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c1 ZINC000020535240 524383235 /nfs/dbraw/zinc/38/32/35/524383235.db2.gz PZGDWAJYJDCPOS-QFIPXVFZSA-N 1 0 353.510 3.076 50 0 FGAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1Cl ZINC000020532039 525120134 /nfs/dbraw/zinc/12/01/34/525120134.db2.gz YCOUCSIJXDGLTH-UHFFFAOYSA-N 1 0 351.878 3.225 50 0 FGAARO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000089478802 525641074 /nfs/dbraw/zinc/64/10/74/525641074.db2.gz DTMCPMMIPNSTKJ-RDTXWAMCSA-N 1 0 352.434 3.087 50 0 FGAARO Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](C[NH3+])C3)c2C2CC2)cc1Cl ZINC000178569920 525932033 /nfs/dbraw/zinc/93/20/33/525932033.db2.gz IAIZVWSNUUJVOT-ZDUSSCGKSA-N 1 0 358.873 3.132 50 0 FGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)CCC(=O)c2ccccc2)CC1 ZINC000082083342 526235474 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CC(C)c1ccc(C[NH+]2CCN(c3cc(=O)n4ccccc4n3)CC2)cc1 ZINC000024060499 535371130 /nfs/dbraw/zinc/37/11/30/535371130.db2.gz MIEQIKNMHQQPNL-UHFFFAOYSA-N 1 0 362.477 3.140 50 0 FGAARO CCCc1cc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)nc(C)n1 ZINC000095390046 535398118 /nfs/dbraw/zinc/39/81/18/535398118.db2.gz SEVMALBPJGEAFB-GOSISDBHSA-N 1 0 370.545 3.270 50 0 FGAARO CCOc1cccc([C@H](C)NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000068843316 535476349 /nfs/dbraw/zinc/47/63/49/535476349.db2.gz AFUZYYXVUFIWNH-INIZCTEOSA-N 1 0 354.454 3.073 50 0 FGAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccccn2)CC1 ZINC000058244576 535746604 /nfs/dbraw/zinc/74/66/04/535746604.db2.gz VMEACQFLSDYLIF-HNNXBMFYSA-N 1 0 371.460 3.245 50 0 FGAARO CCc1nnc2c(N3CC[NH+](C4CCCCC4)CC3)nc3ccccc3n12 ZINC000007504152 535860932 /nfs/dbraw/zinc/86/09/32/535860932.db2.gz WPGXGASXHIPYJX-UHFFFAOYSA-N 1 0 364.497 3.295 50 0 FGAARO COc1cccc(OC)c1CNC(=O)N(C)[C@H](C[NH+](C)C)c1ccccc1 ZINC000426477340 570606227 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50 0 FGAARO COc1ccc(S[C@H](C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000058198000 493832110 /nfs/dbraw/zinc/83/21/10/493832110.db2.gz DBXFSLOWSSAKNL-CVEARBPZSA-N 1 0 350.528 3.412 50 0 FGAARO Cc1cc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)no1 ZINC000058208676 493833248 /nfs/dbraw/zinc/83/32/48/493833248.db2.gz KJNKSJBGXXMOIC-UHFFFAOYSA-N 1 0 367.371 3.396 50 0 FGAARO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1 ZINC000058217964 493834591 /nfs/dbraw/zinc/83/45/91/493834591.db2.gz WEASWDTYQBICBG-UHFFFAOYSA-N 1 0 358.461 3.204 50 0 FGAARO C[NH+](C)CCCCNC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 ZINC000048533629 493835891 /nfs/dbraw/zinc/83/58/91/493835891.db2.gz ZVYWDKSCDOPKLQ-UHFFFAOYSA-N 1 0 356.253 3.319 50 0 FGAARO C[N@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCc2ccccc21 ZINC000029488608 493841390 /nfs/dbraw/zinc/84/13/90/493841390.db2.gz ZWJDZSHSHKZZKC-FQEVSTJZSA-N 1 0 363.461 3.371 50 0 FGAARO COc1ccc([C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000004028969 493861062 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C[C@H]1C[C@H](C)C[NH+](CCNC(=O)c2ccc(F)cc2Br)C1 ZINC000040107588 494132545 /nfs/dbraw/zinc/13/25/45/494132545.db2.gz IDASMUFFTBMWNH-RYUDHWBXSA-N 1 0 357.267 3.296 50 0 FGAARO Fc1ccc(N2CCC[N@H+](Cc3cnc(-c4ccccn4)nc3)CC2)cc1 ZINC000072143976 494133354 /nfs/dbraw/zinc/13/33/54/494133354.db2.gz IQJXJRILRYCFBW-UHFFFAOYSA-N 1 0 363.440 3.390 50 0 FGAARO CCc1nccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072148239 494134188 /nfs/dbraw/zinc/13/41/88/494134188.db2.gz OCRRJMXPRXSMJJ-CEMLEFRQSA-N 1 0 366.484 3.240 50 0 FGAARO NC(=O)c1cccc(C[C@@H]2CC[N@H+](CCC(F)(F)C(F)(F)F)C2)c1 ZINC000072162577 494139900 /nfs/dbraw/zinc/13/99/00/494139900.db2.gz DDNXLTXDULZSAT-LBPRGKRZSA-N 1 0 350.331 3.238 50 0 FGAARO CCc1nn(C)c(Cl)c1CN(Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000072161016 494139975 /nfs/dbraw/zinc/13/99/75/494139975.db2.gz ZRHSBHGNEVZJTB-UHFFFAOYSA-N 1 0 361.921 3.127 50 0 FGAARO Cc1cc(C(=O)N2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)ccc1O ZINC000072166418 494140289 /nfs/dbraw/zinc/14/02/89/494140289.db2.gz OKRDTKBABGOCLR-HXUWFJFHSA-N 1 0 350.462 3.364 50 0 FGAARO O=C1Nc2ccccc2[C@@]12CCC[N@H+](Cc1cnc(-c3ccccn3)nc1)C2 ZINC000072163983 494140700 /nfs/dbraw/zinc/14/07/00/494140700.db2.gz YTZRGVYHYGAYRH-QFIPXVFZSA-N 1 0 371.444 3.025 50 0 FGAARO CCc1nc2c(cnn2C)c(N(C)Cc2ccccc2C[NH+]2CCCC2)n1 ZINC000072164455 494141028 /nfs/dbraw/zinc/14/10/28/494141028.db2.gz YITIJTUUZPVPBM-UHFFFAOYSA-N 1 0 364.497 3.158 50 0 FGAARO CCc1n[nH]cc1C(=O)N(C)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072171340 494143032 /nfs/dbraw/zinc/14/30/32/494143032.db2.gz CBLMVHVHQCJJNY-SFHVURJKSA-N 1 0 354.498 3.141 50 0 FGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)C=C(C)C)C2)cc1OC ZINC000072174320 494144679 /nfs/dbraw/zinc/14/46/79/494144679.db2.gz VDNWHVBEHXZRPR-SFHVURJKSA-N 1 0 360.498 3.135 50 0 FGAARO C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1nc2c(s1)CCCC2 ZINC000072289188 494147943 /nfs/dbraw/zinc/14/79/43/494147943.db2.gz GRDHCVNCKPYQCH-KGLIPLIRSA-N 1 0 350.532 3.257 50 0 FGAARO COc1ccc(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(Cl)c1 ZINC000072309144 494150788 /nfs/dbraw/zinc/15/07/88/494150788.db2.gz CEVKKLKQBIJSRG-IAGOWNOFSA-N 1 0 365.949 3.339 50 0 FGAARO CC(C)C[NH+]1CCC(NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)CC1 ZINC000072313286 494151825 /nfs/dbraw/zinc/15/18/25/494151825.db2.gz LOZDJJWYYCGKNS-UHFFFAOYSA-N 1 0 367.497 3.199 50 0 FGAARO COc1cccc(C[NH2+]CCOCCO)c1OCc1ccc(Cl)cc1 ZINC000010435655 494152968 /nfs/dbraw/zinc/15/29/68/494152968.db2.gz RYYJQCKOEMMZRL-UHFFFAOYSA-N 1 0 365.857 3.026 50 0 FGAARO CSc1ccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000010544069 494156143 /nfs/dbraw/zinc/15/61/43/494156143.db2.gz RTTBEQGWOLUWRU-GJZGRUSLSA-N 1 0 356.557 3.055 50 0 FGAARO CSc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000010544070 494156354 /nfs/dbraw/zinc/15/63/54/494156354.db2.gz RTTBEQGWOLUWRU-HUUCEWRRSA-N 1 0 356.557 3.055 50 0 FGAARO Cc1cc(C)n(Cc2ccc(C(=O)N(C)CC[NH+]3CCCCCC3)cc2)n1 ZINC000072423620 494170602 /nfs/dbraw/zinc/17/06/02/494170602.db2.gz PJMOCHNASASFGQ-UHFFFAOYSA-N 1 0 368.525 3.496 50 0 FGAARO Cc1c(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)[nH]c2c1c(C)ccc2C ZINC000072457336 494178000 /nfs/dbraw/zinc/17/80/00/494178000.db2.gz RSQSZGRNQLPGBT-UHFFFAOYSA-N 1 0 362.477 3.372 50 0 FGAARO CC[N@@H+]1CC[C@@H](CN(C)c2cc(-c3ccc(F)cc3)nc3ccnn32)C1 ZINC000072469969 494178601 /nfs/dbraw/zinc/17/86/01/494178601.db2.gz RGIIYEDNYZQTHA-HNNXBMFYSA-N 1 0 353.445 3.313 50 0 FGAARO CCn1ccc2cc(C(=O)N3CCC([C@@H](C)[NH+]4CCOCC4)CC3)ccc21 ZINC000072479241 494182555 /nfs/dbraw/zinc/18/25/55/494182555.db2.gz KGXKNHNVSSRRHW-QGZVFWFLSA-N 1 0 369.509 3.234 50 0 FGAARO O=C(C[C@@H]1COCC[N@@H+]1CCc1ccccc1)NCc1cccc(Cl)c1 ZINC000072478942 494182771 /nfs/dbraw/zinc/18/27/71/494182771.db2.gz QZYNIWBGRHKYME-HXUWFJFHSA-N 1 0 372.896 3.290 50 0 FGAARO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)s1 ZINC000072479915 494182854 /nfs/dbraw/zinc/18/28/54/494182854.db2.gz FJGCYEWHCFJOMY-MRXNPFEDSA-N 1 0 359.543 3.160 50 0 FGAARO COc1ccc(C[C@H]2CN(C3CC[NH+](Cc4ccco4)CC3)CCO2)cc1 ZINC000011754008 494190306 /nfs/dbraw/zinc/19/03/06/494190306.db2.gz XDRIWJJBORZMCB-QFIPXVFZSA-N 1 0 370.493 3.196 50 0 FGAARO CC(C)C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000012022377 494200519 /nfs/dbraw/zinc/20/05/19/494200519.db2.gz DKUYBRVXVZBVLU-HXUWFJFHSA-N 1 0 364.555 3.206 50 0 FGAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccoc2)C1 ZINC000012201597 494213500 /nfs/dbraw/zinc/21/35/00/494213500.db2.gz KQVPWOQPVBBECS-KRWDZBQOSA-N 1 0 356.466 3.315 50 0 FGAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1ccnn1C ZINC000012199636 494213815 /nfs/dbraw/zinc/21/38/15/494213815.db2.gz SKPBNEYTZFSCDI-UHFFFAOYSA-N 1 0 374.916 3.100 50 0 FGAARO COCC[NH2+]CC[C@H]1CCC(=O)N1CC(c1ccccc1)c1ccccc1 ZINC000012244269 494217060 /nfs/dbraw/zinc/21/70/60/494217060.db2.gz QMEFEUJXQYWMCD-OAQYLSRUSA-N 1 0 366.505 3.436 50 0 FGAARO Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c(=O)[nH]1 ZINC000012316096 494222805 /nfs/dbraw/zinc/22/28/05/494222805.db2.gz FPKCHBCZIXNQIQ-LJQANCHMSA-N 1 0 367.493 3.265 50 0 FGAARO C[C@H](Cc1cccnc1)NC(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000012430724 494232227 /nfs/dbraw/zinc/23/22/27/494232227.db2.gz RXTHMUBTBCDKIN-GOSISDBHSA-N 1 0 363.505 3.152 50 0 FGAARO CC(C)[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012441430 494233291 /nfs/dbraw/zinc/23/32/91/494233291.db2.gz CSVSBRUOHGTWMO-UHFFFAOYSA-N 1 0 365.326 3.392 50 0 FGAARO CC(=O)N1CCC([NH2+][C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)CC1 ZINC000012459513 494234818 /nfs/dbraw/zinc/23/48/18/494234818.db2.gz SLZMLWISJHKMJI-HNNXBMFYSA-N 1 0 373.545 3.215 50 0 FGAARO O=C(CCc1ccccc1)NC1CC[NH+](Cn2cnc3ccccc32)CC1 ZINC000054490607 494241099 /nfs/dbraw/zinc/24/10/99/494241099.db2.gz JPGMVQPKIHCKHG-UHFFFAOYSA-N 1 0 362.477 3.207 50 0 FGAARO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCc2ccccc21 ZINC000012561254 494242681 /nfs/dbraw/zinc/24/26/81/494242681.db2.gz RRELOWFIYKQSSY-UHFFFAOYSA-N 1 0 369.896 3.441 50 0 FGAARO COc1ccc(CC(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000012573267 494243376 /nfs/dbraw/zinc/24/33/76/494243376.db2.gz HHYJKFGAVAGXJJ-OAQYLSRUSA-N 1 0 366.505 3.451 50 0 FGAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000012638183 494248278 /nfs/dbraw/zinc/24/82/78/494248278.db2.gz MRSZTXWELDGMQC-IBGZPJMESA-N 1 0 371.868 3.034 50 0 FGAARO CC(=O)c1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1ccccc1F)CC2 ZINC000089331290 494290312 /nfs/dbraw/zinc/29/03/12/494290312.db2.gz XVMVEHVNDQZUQO-UHFFFAOYSA-N 1 0 354.425 3.458 50 0 FGAARO O=C(c1ccc(Cn2ccnc2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000044442539 494358765 /nfs/dbraw/zinc/35/87/65/494358765.db2.gz KYCBUXUMSSITIJ-UHFFFAOYSA-N 1 0 352.482 3.022 50 0 FGAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)n2)CC1 ZINC000015778120 494367946 /nfs/dbraw/zinc/36/79/46/494367946.db2.gz QHVGJVLPPBFEPS-UHFFFAOYSA-N 1 0 373.888 3.141 50 0 FGAARO CCNC(=O)N1CCc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cc21 ZINC000089977456 494418853 /nfs/dbraw/zinc/41/88/53/494418853.db2.gz NPFYCERSIMFNID-GOSISDBHSA-N 1 0 370.497 3.124 50 0 FGAARO COc1ccc(CN2CCN(c3cc(C)[nH+]c(C)c3)CC2)c(OC)c1OC ZINC000020149257 494468775 /nfs/dbraw/zinc/46/87/75/494468775.db2.gz LXRSTTWGSMMEGF-UHFFFAOYSA-N 1 0 371.481 3.046 50 0 FGAARO C[C@H]1C[C@H](NC(=O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000079559069 494481710 /nfs/dbraw/zinc/48/17/10/494481710.db2.gz XASJHNRRHAATNU-QFBILLFUSA-N 1 0 356.441 3.374 50 0 FGAARO C[NH+](C)C[C@@H]1CSCCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000090608977 494486890 /nfs/dbraw/zinc/48/68/90/494486890.db2.gz GBUAGGPHVOJCRW-MRXNPFEDSA-N 1 0 370.584 3.042 50 0 FGAARO O[C@H](COC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccccc2)CC1 ZINC000023114554 494549771 /nfs/dbraw/zinc/54/97/71/494549771.db2.gz SWJCVFHBQCXJGR-BSCKTTFPSA-N 1 0 370.537 3.155 50 0 FGAARO Cc1ccccc1OCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023128079 494551113 /nfs/dbraw/zinc/55/11/13/494551113.db2.gz CFVFWCQJWOSSGT-UHFFFAOYSA-N 1 0 358.507 3.464 50 0 FGAARO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCOc3c(Cl)cccc32)C1 ZINC000056729603 494552390 /nfs/dbraw/zinc/55/23/90/494552390.db2.gz BAWAMDUDZCJSRA-XJKSGUPXSA-N 1 0 351.878 3.195 50 0 FGAARO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000074540162 494555947 /nfs/dbraw/zinc/55/59/47/494555947.db2.gz CMBPIJBJGUUGJD-QGZVFWFLSA-N 1 0 357.498 3.434 50 0 FGAARO Cc1ccc2ncccc2c1C[N@H+]1CC[C@H]([NH+](C)C)[C@H](CCC(=O)[O-])C1 ZINC000091425593 494595603 /nfs/dbraw/zinc/59/56/03/494595603.db2.gz BNGUPRLZFRDWBJ-UZLBHIALSA-N 1 0 355.482 3.160 50 0 FGAARO NC(=O)c1cccnc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024052539 494600400 /nfs/dbraw/zinc/60/04/00/494600400.db2.gz LHZNUCLQYLNHNT-UHFFFAOYSA-N 1 0 372.472 3.092 50 0 FGAARO COC(=O)CCCC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2 ZINC000091468954 494605409 /nfs/dbraw/zinc/60/54/09/494605409.db2.gz GAOFGKDSNRLLIV-LJQANCHMSA-N 1 0 372.509 3.058 50 0 FGAARO Cc1cccc2[nH]c(C3CCN(C(=O)[C@H]4Cc5ccccc5C[NH2+]4)CC3)nc21 ZINC000091646042 494636664 /nfs/dbraw/zinc/63/66/64/494636664.db2.gz LHLUJZWBRNEXAS-HXUWFJFHSA-N 1 0 374.488 3.292 50 0 FGAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1Cl)CC2 ZINC000091664093 494638754 /nfs/dbraw/zinc/63/87/54/494638754.db2.gz AIMBEDSZAQZPGC-UHFFFAOYSA-N 1 0 368.880 3.330 50 0 FGAARO CCN1CCc2nc[nH]c2C12CC[NH+](C/C=C/c1ccc(OC)cc1)CC2 ZINC000091768888 494673329 /nfs/dbraw/zinc/67/33/29/494673329.db2.gz NIGTWAHXGXVDQB-SNAWJCMRSA-N 1 0 366.509 3.301 50 0 FGAARO CC(C)CC(=O)Nc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000075110207 494693288 /nfs/dbraw/zinc/69/32/88/494693288.db2.gz CLGWSEZAZJAJQY-YJBOKZPZSA-N 1 0 360.502 3.475 50 0 FGAARO COCCn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000091830424 494693669 /nfs/dbraw/zinc/69/36/69/494693669.db2.gz OQRHYVZSMJWIMO-LJQANCHMSA-N 1 0 365.481 3.095 50 0 FGAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000091932076 494725218 /nfs/dbraw/zinc/72/52/18/494725218.db2.gz GOWOBHZRPLLKLN-UHFFFAOYSA-N 1 0 368.460 3.062 50 0 FGAARO O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000057425353 494742863 /nfs/dbraw/zinc/74/28/63/494742863.db2.gz DGSQNYDITYZFSY-SFHVURJKSA-N 1 0 364.898 3.455 50 0 FGAARO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](C/C=C/c1ccccc1)C2 ZINC000092020569 494758391 /nfs/dbraw/zinc/75/83/91/494758391.db2.gz ZYRPOEFSOYXLDE-XCBOUCJHSA-N 1 0 365.477 3.428 50 0 FGAARO CCC(CC)[C@H](CNC(=O)NCc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000026307456 494816900 /nfs/dbraw/zinc/81/69/00/494816900.db2.gz INWFSBOUJBTYEG-SFHVURJKSA-N 1 0 367.921 3.276 50 0 FGAARO CC1(C)CC(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)CC(C)(C)[NH2+]1 ZINC000026360468 494821591 /nfs/dbraw/zinc/82/15/91/494821591.db2.gz CLDXEBRNAVUDRH-GOSISDBHSA-N 1 0 360.498 3.283 50 0 FGAARO COc1ccc([C@H](CNc2nn3cc(C)nc3s2)[NH+]2CCCC2)cc1 ZINC000026692702 494834898 /nfs/dbraw/zinc/83/48/98/494834898.db2.gz AODGNZDYQLVJOO-INIZCTEOSA-N 1 0 357.483 3.357 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1cccs1 ZINC000027674761 494880400 /nfs/dbraw/zinc/88/04/00/494880400.db2.gz MLLKQHKILPXSIM-MSOLQXFVSA-N 1 0 374.506 3.339 50 0 FGAARO CCOC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000093419514 494890018 /nfs/dbraw/zinc/89/00/18/494890018.db2.gz BIKOPMSZOIOSAC-HNNXBMFYSA-N 1 0 357.454 3.096 50 0 FGAARO Cc1cc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)nn1-c1cc(C)cc(C)c1 ZINC000127344221 494931363 /nfs/dbraw/zinc/93/13/63/494931363.db2.gz WGGBFSCYQGMBTM-QGZVFWFLSA-N 1 0 355.486 3.213 50 0 FGAARO Cc1nccn1Cc1nnc([C@@H]2CCC[N@H+](CC3CCCCC3)C2)n1C ZINC000095355795 494962580 /nfs/dbraw/zinc/96/25/80/494962580.db2.gz JNHHWNVKIYFBLP-GOSISDBHSA-N 1 0 356.518 3.128 50 0 FGAARO CN(Cc1noc2c1CCCC2)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095362738 494964545 /nfs/dbraw/zinc/96/45/45/494964545.db2.gz AQNIMFLXLGALDD-UHFFFAOYSA-N 1 0 357.454 3.017 50 0 FGAARO Cc1cc(Cl)ccc1C(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095370244 494966717 /nfs/dbraw/zinc/96/67/17/494966717.db2.gz CVFHZSLVHCRMTL-MRXNPFEDSA-N 1 0 374.916 3.426 50 0 FGAARO COCCCN1CC2(CC1=O)CC[NH+](C/C=C/c1ccccc1OC)CC2 ZINC000095377319 494968699 /nfs/dbraw/zinc/96/86/99/494968699.db2.gz GKTIHMGOWKDCAG-VMPITWQZSA-N 1 0 372.509 3.059 50 0 FGAARO COc1ccc([C@@H]2CN(C(=O)NC3CCCC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095375081 494968828 /nfs/dbraw/zinc/96/88/28/494968828.db2.gz SKVWDYFJGAEDFA-PWRODBHTSA-N 1 0 369.509 3.209 50 0 FGAARO Cc1cccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1O ZINC000095378231 494969927 /nfs/dbraw/zinc/96/99/27/494969927.db2.gz XEGDWPDJPWMOAU-RTBURBONSA-N 1 0 350.462 3.437 50 0 FGAARO COc1ccc([C@@H]2CN(c3ccc(Cl)nn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095384531 494970598 /nfs/dbraw/zinc/97/05/98/494970598.db2.gz VCCRJLGURSROPO-PWIZWCRZSA-N 1 0 370.884 3.205 50 0 FGAARO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000095383568 494970715 /nfs/dbraw/zinc/97/07/15/494970715.db2.gz XPDJLPNSRREYSF-MRXNPFEDSA-N 1 0 370.888 3.093 50 0 FGAARO Cc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)s1 ZINC000095386878 494972018 /nfs/dbraw/zinc/97/20/18/494972018.db2.gz SJGZQSPUJXBYFG-DFQSSKMNSA-N 1 0 368.502 3.465 50 0 FGAARO CC(=O)Nc1ccc(F)c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000095463200 494977011 /nfs/dbraw/zinc/97/70/11/494977011.db2.gz XGSUHYQJKBQTEV-CQSZACIVSA-N 1 0 357.429 3.034 50 0 FGAARO Cc1cccc(NC(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c1C ZINC000095504678 494982382 /nfs/dbraw/zinc/98/23/82/494982382.db2.gz DJQZZEMUMLKEAT-SFHVURJKSA-N 1 0 369.513 3.473 50 0 FGAARO C[N@@H+]1CCC[C@@H](CCC(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)C1 ZINC000095506762 494982803 /nfs/dbraw/zinc/98/28/03/494982803.db2.gz KDLLUIHPHUIJKR-INIZCTEOSA-N 1 0 352.482 3.083 50 0 FGAARO O=C(NCc1c[nH]nc1-c1cccs1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095511057 494983546 /nfs/dbraw/zinc/98/35/46/494983546.db2.gz LIIPDAJRCQEZSL-AWEZNQCLSA-N 1 0 370.478 3.260 50 0 FGAARO O=C(NCc1ccco1)C1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095517587 494985552 /nfs/dbraw/zinc/98/55/52/494985552.db2.gz KQSKQKCJPVWTQD-KRWDZBQOSA-N 1 0 368.477 3.249 50 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COc1cccc2ccc(CN3CC[NH+](C4CCSCC4)CC3)nc21 ZINC000216517055 496989616 /nfs/dbraw/zinc/98/96/16/496989616.db2.gz ROGISGMPWOXCKX-UHFFFAOYSA-N 1 0 357.523 3.257 50 0 FGAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000221985015 497020902 /nfs/dbraw/zinc/02/09/02/497020902.db2.gz FAKNNWBCPSDWNA-DYESRHJHSA-N 1 0 370.468 3.372 50 0 FGAARO O=C(CC[NH+]1CCCCCCC1)NCc1ccc(N2CCCC2=O)cc1 ZINC000223872524 497044155 /nfs/dbraw/zinc/04/41/55/497044155.db2.gz ZHRKDPUEIWOZMV-UHFFFAOYSA-N 1 0 357.498 3.086 50 0 FGAARO O=C(COc1ccc(Cl)cc1Cl)NCCn1ccnc1C1CC1 ZINC000225566274 497067592 /nfs/dbraw/zinc/06/75/92/497067592.db2.gz AYZIDYLJUCNVJM-UHFFFAOYSA-N 1 0 354.237 3.263 50 0 FGAARO O=C(COc1ccc(Cl)cc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225685202 497071998 /nfs/dbraw/zinc/07/19/98/497071998.db2.gz GZVBWCHRYPVVMO-IBGZPJMESA-N 1 0 370.880 3.378 50 0 FGAARO COc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(CN3CCCC3=O)c1)C2 ZINC000192439137 497114541 /nfs/dbraw/zinc/11/45/41/497114541.db2.gz UXADGUVXYJVHET-HXUWFJFHSA-N 1 0 364.489 3.465 50 0 FGAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 ZINC000237061520 497186466 /nfs/dbraw/zinc/18/64/66/497186466.db2.gz KCPAIPPBRSSALP-GOSISDBHSA-N 1 0 368.477 3.216 50 0 FGAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCCCOc1ccc(Br)cc1 ZINC000237486143 497245095 /nfs/dbraw/zinc/24/50/95/497245095.db2.gz SYIIFGLMZLLDIN-ZFWWWQNUSA-N 1 0 369.303 3.336 50 0 FGAARO Cc1cccc(NC(=O)CC[NH+]2CCC([C@H](O)c3ccccn3)CC2)c1C ZINC000252485218 497304010 /nfs/dbraw/zinc/30/40/10/497304010.db2.gz GPDQHEONOCEHRL-QFIPXVFZSA-N 1 0 367.493 3.473 50 0 FGAARO CC(C)(C)n1cc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)nn1 ZINC000252490499 497304908 /nfs/dbraw/zinc/30/49/08/497304908.db2.gz KVHDTMKVGTVEKW-UHFFFAOYSA-N 1 0 371.485 3.150 50 0 FGAARO O=C(CCc1ccccc1F)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000240067997 497350406 /nfs/dbraw/zinc/35/04/06/497350406.db2.gz SGTQVFFNTDRNRK-UHFFFAOYSA-N 1 0 364.530 3.482 50 0 FGAARO COCCN(C)c1ccc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)cn1 ZINC000242389280 497354456 /nfs/dbraw/zinc/35/44/56/497354456.db2.gz ZVVFMKIBYDLYPV-GOSISDBHSA-N 1 0 359.445 3.307 50 0 FGAARO COc1cc(/C=C\C(=O)N2CC[C@H](C[NH3+])C2)cc(Cl)c1OCC(C)C ZINC000255045300 497356998 /nfs/dbraw/zinc/35/69/98/497356998.db2.gz YRCXDRROIKCZLE-FOSCPCJNSA-N 1 0 366.889 3.204 50 0 FGAARO C[NH2+]C[C@@H]1CCN(C(=O)/C(=C\c2ccccc2OC)c2ccccc2)C1 ZINC000255069210 497357432 /nfs/dbraw/zinc/35/74/32/497357432.db2.gz LVUVGJUKFIIRAW-PNWWAVQQSA-N 1 0 350.462 3.304 50 0 FGAARO O[C@H]1C[C@@H]([C@H]([NH2+]C2CSCCSC2)c2cnc3ccccc3c2)C1 ZINC000244601765 497366659 /nfs/dbraw/zinc/36/66/59/497366659.db2.gz DRLHKJJTGNIXID-YJLNNSPDSA-N 1 0 360.548 3.485 50 0 FGAARO O=C(CN(Cc1ccsc1)C[C@@H]1CCCO1)Nc1ccc(Cl)cn1 ZINC000244794548 497370173 /nfs/dbraw/zinc/37/01/73/497370173.db2.gz QOUKEWDHTIZCPE-HNNXBMFYSA-N 1 0 365.886 3.416 50 0 FGAARO CN(Cc1cc(C(N)=O)oc1C(C)(C)C)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000244866509 497371604 /nfs/dbraw/zinc/37/16/04/497371604.db2.gz VXKXYRPFZYXABI-SFHVURJKSA-N 1 0 369.509 3.165 50 0 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500295436 /nfs/dbraw/zinc/29/54/36/500295436.db2.gz OMQWTHQDJNGWNU-MGPUTAFESA-N 1 0 366.461 3.176 50 0 FGAARO Cc1ccccc1[C@@H](CNC(=O)N(C)Cc1ncc[nH]1)[NH+]1CCC(C)CC1 ZINC000534634904 504196965 /nfs/dbraw/zinc/19/69/65/504196965.db2.gz YWUYFPPCOFFSMP-LJQANCHMSA-N 1 0 369.513 3.333 50 0 FGAARO COCCN(Cc1cccc2ccccc21)C(=O)NCC(C)(C)[NH+](C)C ZINC000534638493 504198536 /nfs/dbraw/zinc/19/85/36/504198536.db2.gz YUKIPWWQQHKGBC-UHFFFAOYSA-N 1 0 357.498 3.338 50 0 FGAARO O=C(c1ccc(-c2ccc(CSCCO)cc2)cc1)N1CCC[NH2+]CC1 ZINC000534664744 504208895 /nfs/dbraw/zinc/20/88/95/504208895.db2.gz BVWBCRKAOLUQIP-UHFFFAOYSA-N 1 0 370.518 3.015 50 0 FGAARO C[C@@H](Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1)C1CC(F)(F)C1 ZINC000529535116 504719372 /nfs/dbraw/zinc/71/93/72/504719372.db2.gz URCDADXWDQRZAD-HIFRSBDPSA-N 1 0 351.441 3.230 50 0 FGAARO Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000521396552 504726389 /nfs/dbraw/zinc/72/63/89/504726389.db2.gz GEZREWRSLQBMRT-BEFAXECRSA-N 1 0 371.529 3.290 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ZINC000023128081 220413214 /nfs/dbraw/zinc/41/32/14/220413214.db2.gz KJQYLQAMKIEGFV-UHFFFAOYSA-N 1 0 362.470 3.294 50 0 FGAARO O=C(COc1ccccc1F)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127994 220413555 /nfs/dbraw/zinc/41/35/55/220413555.db2.gz VIZBOJCDIJNFEF-UHFFFAOYSA-N 1 0 356.441 3.233 50 0 FGAARO C[C@@H]1CCC[C@H]2CCC[N@H+](CC(=O)Nc3ccccc3C(=O)NC3CC3)[C@H]12 ZINC000048302127 221006819 /nfs/dbraw/zinc/00/68/19/221006819.db2.gz INTKUTDZBCLARK-VWKPWSFCSA-N 1 0 369.509 3.418 50 0 FGAARO C[C@@H]([NH2+]CCOc1ccccc1F)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000049580911 221026188 /nfs/dbraw/zinc/02/61/88/221026188.db2.gz OTFHDNNBGDXCJA-DNVCBOLYSA-N 1 0 356.441 3.376 50 0 FGAARO CC[NH+](CC)CCNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000050081140 221029895 /nfs/dbraw/zinc/02/98/95/221029895.db2.gz DZVFYEFPBMIMHX-HXUWFJFHSA-N 1 0 367.493 3.006 50 0 FGAARO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000065457887 221221732 /nfs/dbraw/zinc/22/17/32/221221732.db2.gz FFJYUULNWPTWDX-UHFFFAOYSA-N 1 0 369.494 3.094 50 0 FGAARO c1cc2c(cc1C[NH+]1CCC(Cc3noc(C4CC4)n3)CC1)OCCO2 ZINC000065493147 221225391 /nfs/dbraw/zinc/22/53/91/221225391.db2.gz FHDAAXPLAMXVPA-UHFFFAOYSA-N 1 0 355.438 3.173 50 0 FGAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N(C)Cc3ccoc3)nc2)C1 ZINC000067473391 221256414 /nfs/dbraw/zinc/25/64/14/221256414.db2.gz XPRDRPJCZJGEHL-QGZVFWFLSA-N 1 0 370.497 3.019 50 0 FGAARO CS(=O)(=O)Cc1ccc(Oc2ccc(C[NH+]3CCCC3)cc2F)nc1 ZINC000067473072 221256086 /nfs/dbraw/zinc/25/60/86/221256086.db2.gz PJPHWVLWDPSLCF-UHFFFAOYSA-N 1 0 364.442 3.153 50 0 FGAARO CCNc1cc(N2CCN(C(=O)Nc3cccc(CC)c3)CC2)nc(C)[nH+]1 ZINC000067613215 221262512 /nfs/dbraw/zinc/26/25/12/221262512.db2.gz OWIRPVVGIFBDCX-UHFFFAOYSA-N 1 0 368.485 3.133 50 0 FGAARO COc1ccc2c(c1)C[C@H]([NH2+]CCC(=O)Nc1cc(F)ccc1F)CC2 ZINC000067713125 221275038 /nfs/dbraw/zinc/27/50/38/221275038.db2.gz IDGYJTOZHCXYBO-MRXNPFEDSA-N 1 0 360.404 3.449 50 0 FGAARO CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067674136 221267983 /nfs/dbraw/zinc/26/79/83/221267983.db2.gz ZUEIDKFEBRDRKU-IBGZPJMESA-N 1 0 370.472 3.406 50 0 FGAARO CCCc1cc(CN(C)c2nc(CC[NH3+])nc3sc(C)c(C)c32)[nH]n1 ZINC000067741525 221279309 /nfs/dbraw/zinc/27/93/09/221279309.db2.gz REFCVKMGKRCBQL-UHFFFAOYSA-N 1 0 358.515 3.121 50 0 FGAARO [NH3+]C1(C(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)CCC1 ZINC000067787178 221286211 /nfs/dbraw/zinc/28/62/11/221286211.db2.gz CJHJGOJXVBMXBD-UHFFFAOYSA-N 1 0 358.873 3.318 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3cnc4ccccc4c3)cnn2c1 ZINC000067833413 221291321 /nfs/dbraw/zinc/29/13/21/221291321.db2.gz DFUPRHBFOVPAQU-UHFFFAOYSA-N 1 0 374.448 3.372 50 0 FGAARO Cc1nc2c(c(NCc3cc(-c4ccccc4Cl)no3)n1)CC[NH2+]C2 ZINC000067884908 221301444 /nfs/dbraw/zinc/30/14/44/221301444.db2.gz OHJGPTNGOOBOKV-UHFFFAOYSA-N 1 0 355.829 3.351 50 0 FGAARO O=C1CC[C@@H]([NH2+]CC2(c3cccc(F)c3)CCOCC2)CCN1CC1CC1 ZINC000067908881 221303837 /nfs/dbraw/zinc/30/38/37/221303837.db2.gz UENJVKXMZRFEMW-HXUWFJFHSA-N 1 0 374.500 3.255 50 0 FGAARO CC(=O)N1CCC([N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)CC1 ZINC000067934330 221307241 /nfs/dbraw/zinc/30/72/41/221307241.db2.gz FMWFCAIQBZSMND-FCHUYYIVSA-N 1 0 352.478 3.001 50 0 FGAARO CCc1nnc2ccc(NCC3CC[NH+](Cc4ccccc4)CC3)nn21 ZINC000068692231 221316100 /nfs/dbraw/zinc/31/61/00/221316100.db2.gz WRKMCBNONBSHGL-UHFFFAOYSA-N 1 0 350.470 3.011 50 0 FGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2cc(Br)ccc21 ZINC000071281086 221338181 /nfs/dbraw/zinc/33/81/81/221338181.db2.gz MTMVUOJYPIWVSA-OAHLLOKOSA-N 1 0 364.287 3.004 50 0 FGAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1cc(N2CCCCCCCC2)ccn1 ZINC000071422140 221347507 /nfs/dbraw/zinc/34/75/07/221347507.db2.gz CMUCOPWVAYQBGV-SFHVURJKSA-N 1 0 358.530 3.456 50 0 FGAARO Cc1cccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1F ZINC000071753680 221363267 /nfs/dbraw/zinc/36/32/67/221363267.db2.gz CKNLIQVZKLCKNI-SFHVURJKSA-N 1 0 373.516 3.089 50 0 FGAARO CC(C)[C@H]1C[N@H+](Cc2ccc(CO)o2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071759061 221366254 /nfs/dbraw/zinc/36/62/54/221366254.db2.gz RLPDSJLCSCRAPS-HXUWFJFHSA-N 1 0 374.456 3.170 50 0 FGAARO CC(C)[C@@H]1CN(CCn2c3ccccc3oc2=O)CCC[N@@H+]1CC1CC1 ZINC000071763147 221369775 /nfs/dbraw/zinc/36/97/75/221369775.db2.gz WGWVQCLRTDRTQZ-IBGZPJMESA-N 1 0 357.498 3.037 50 0 FGAARO Cc1c(NCc2ccccn2)cccc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000071764301 221370861 /nfs/dbraw/zinc/37/08/61/221370861.db2.gz JQCOTWABAHSRFS-JOCHJYFZSA-N 1 0 364.493 3.218 50 0 FGAARO Cc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1O ZINC000071764710 221371157 /nfs/dbraw/zinc/37/11/57/221371157.db2.gz NJZXGZQDLHZBEK-NJDAHSKKSA-N 1 0 362.473 3.403 50 0 FGAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(c1cccc([C@@H](C)O)n1)CC2 ZINC000091725912 132203447 /nfs/dbraw/zinc/20/34/47/132203447.db2.gz KJCLHXKTUMOETM-MRXNPFEDSA-N 1 0 369.513 3.012 50 0 FGAARO COc1cccc2ccc(N3CCC([C@H](C)[NH+]4CCOCC4)CC3)nc21 ZINC000095385886 132210031 /nfs/dbraw/zinc/21/00/31/132210031.db2.gz BQDOTZYILRJJBN-INIZCTEOSA-N 1 0 355.482 3.181 50 0 FGAARO CCCc1nc(C)cc(N2CCC([NH2+]Cc3nccn3CCC)CC2)n1 ZINC000095507206 132212913 /nfs/dbraw/zinc/21/29/13/132212913.db2.gz MPTVHQNEVFZUMY-UHFFFAOYSA-N 1 0 356.518 3.103 50 0 FGAARO C[C@@H](c1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1)[NH+]1CCCC1 ZINC000097514915 132229709 /nfs/dbraw/zinc/22/97/09/132229709.db2.gz QEXRNTIVSVVZAA-KRWDZBQOSA-N 1 0 351.498 3.052 50 0 FGAARO O[C@H]1C[C@@H]([C@H](Cc2ccncc2)[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000252533059 132292892 /nfs/dbraw/zinc/29/28/92/132292892.db2.gz FUGPIMABWNOOGL-BWAGFHJFSA-N 1 0 351.494 3.022 50 0 FGAARO O[C@H](COCc1ccccc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023224589 132375088 /nfs/dbraw/zinc/37/50/88/132375088.db2.gz FMBKMCKREHIWGL-FQEVSTJZSA-N 1 0 360.885 3.040 50 0 FGAARO CCNc1nc(N2CCN(C(=O)Nc3ccc(C)cc3C)CC2)cc(C)[nH+]1 ZINC000064800044 136133879 /nfs/dbraw/zinc/13/38/79/136133879.db2.gz QNXAVFKWCZLLNM-UHFFFAOYSA-N 1 0 368.485 3.188 50 0 FGAARO Cc1cc(N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)nc(N)[nH+]1 ZINC000067785724 136137654 /nfs/dbraw/zinc/13/76/54/136137654.db2.gz VPIBAYJXPXEFNG-AWEZNQCLSA-N 1 0 352.417 3.280 50 0 FGAARO CNc1cc(C)[nH+]c(N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n1 ZINC000072478677 136149526 /nfs/dbraw/zinc/14/95/26/136149526.db2.gz BPPWDVZXNLOUKE-ZDUSSCGKSA-N 1 0 366.391 3.321 50 0 FGAARO C[N@H+](C[C@H]1CCCCO1)C1CCN(c2cccc(N3CCCC3=O)c2)CC1 ZINC000023231836 136152528 /nfs/dbraw/zinc/15/25/28/136152528.db2.gz PYZGPTPCZBUKDN-OAQYLSRUSA-N 1 0 371.525 3.283 50 0 FGAARO Cc1nc(N)sc1C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000077459260 221630233 /nfs/dbraw/zinc/63/02/33/221630233.db2.gz PZZHCWXVAQUZFW-UHFFFAOYSA-N 1 0 358.511 3.018 50 0 FGAARO CN1CC[C@H]([NH2+]C2CCN(CC(F)F)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000095462861 221912233 /nfs/dbraw/zinc/91/22/33/221912233.db2.gz PKQIFKCDNWQBOR-WMZOPIPTSA-N 1 0 357.876 3.404 50 0 FGAARO CC[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000096134155 222039983 /nfs/dbraw/zinc/03/99/83/222039983.db2.gz YWFLYOCSPFGHQP-YYRKOSNBSA-N 1 0 351.288 3.310 50 0 FGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C)c(C)s1)CC2 ZINC000096162688 222061938 /nfs/dbraw/zinc/06/19/38/222061938.db2.gz UJDSTMFRWLSDMT-UHFFFAOYSA-N 1 0 372.538 3.488 50 0 FGAARO C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)cc1 ZINC000097546448 222189494 /nfs/dbraw/zinc/18/94/94/222189494.db2.gz BJALNAOTHIGATJ-NRFANRHFSA-N 1 0 366.509 3.100 50 0 FGAARO CC1(C)CC(NC(=O)/C=C\c2ccc(N3CCCC3=O)cc2)CC(C)(C)[NH2+]1 ZINC000096943273 222144757 /nfs/dbraw/zinc/14/47/57/222144757.db2.gz QJKSNZIYAROVSO-XFXZXTDPSA-N 1 0 369.509 3.252 50 0 FGAARO OC[C@H]1CN(Cc2cscn2)CCC12CC[NH+](Cc1ccccc1)CC2 ZINC000097173137 222166957 /nfs/dbraw/zinc/16/69/57/222166957.db2.gz GZCPWRLKHBFSLZ-LJQANCHMSA-N 1 0 371.550 3.240 50 0 FGAARO CC[NH+](CC)[C@H](CNC(=O)c1cc2c(C)nn(C)c2s1)CC(C)C ZINC000097288428 222173172 /nfs/dbraw/zinc/17/31/72/222173172.db2.gz YQHODZXEPGTYCP-AWEZNQCLSA-N 1 0 350.532 3.430 50 0 FGAARO CCC(CC)[C@H](C[NH2+]Cc1ccc(-n2cccn2)cc1)N1CCOCC1 ZINC000097287626 222173559 /nfs/dbraw/zinc/17/35/59/222173559.db2.gz YOWLUYPLGSFNBS-NRFANRHFSA-N 1 0 356.514 3.099 50 0 FGAARO CC(C)CNC(=O)c1cccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000097636487 222201886 /nfs/dbraw/zinc/20/18/86/222201886.db2.gz VTYITHZVHLCLEE-UHFFFAOYSA-N 1 0 372.513 3.165 50 0 FGAARO c1cc(C2CCCC2)sc1C[N@@H+]1CCCO[C@@H](CN2CCOCC2)C1 ZINC000097744563 222210012 /nfs/dbraw/zinc/21/00/12/222210012.db2.gz OIJQJSUPUYHSQD-SFHVURJKSA-N 1 0 364.555 3.329 50 0 FGAARO C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000106112604 222382362 /nfs/dbraw/zinc/38/23/62/222382362.db2.gz XAMSQOIRHKCXAG-HOTGVXAUSA-N 1 0 369.465 3.269 50 0 FGAARO COc1ccc(OCC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000106135309 222383321 /nfs/dbraw/zinc/38/33/21/222383321.db2.gz HGLNKRHPTFOUTI-SJLPKXTDSA-N 1 0 354.450 3.026 50 0 FGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)N[C@@H](C)Cc2ccsc2)CC1 ZINC000426370129 263566715 /nfs/dbraw/zinc/56/67/15/263566715.db2.gz TWTAARRNPJPQMT-INIZCTEOSA-N 1 0 358.511 3.304 50 0 FGAARO [NH3+]CCOc1cccc(CC(=O)N(Cc2ccccn2)C2CCCCC2)c1 ZINC000426380366 263570417 /nfs/dbraw/zinc/57/04/17/263570417.db2.gz KNDZIMJQDKQQLN-UHFFFAOYSA-N 1 0 367.493 3.323 50 0 FGAARO Cc1cc2n(n1)CCN(C(=O)c1ccc(C[NH+]3CCCCCC3)cc1)C2 ZINC000426419775 263583165 /nfs/dbraw/zinc/58/31/65/263583165.db2.gz NMNHWQOCPCRBKT-UHFFFAOYSA-N 1 0 352.482 3.224 50 0 FGAARO CO[C@]12CC[N@H+](Cc3ccc4cc(O)ccc4c3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426503754 263612503 /nfs/dbraw/zinc/61/25/03/263612503.db2.gz YADVAUQTOWAHFW-FDFHNCONSA-N 1 0 371.477 3.066 50 0 FGAARO CN(CCC[C@@H]1CCCO1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000426667672 263654064 /nfs/dbraw/zinc/65/40/64/263654064.db2.gz VUVBTEHZTIMNNI-OAQYLSRUSA-N 1 0 373.541 3.499 50 0 FGAARO COc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c(OC)c1OC ZINC000057681664 493785225 /nfs/dbraw/zinc/78/52/25/493785225.db2.gz NQTNMBXWCPROCC-INIZCTEOSA-N 1 0 360.454 3.232 50 0 FGAARO CC[C@@H](CNC(=O)NCc1cccc(OC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000028392029 493788295 /nfs/dbraw/zinc/78/82/95/493788295.db2.gz XGJRNVIYEQYYJX-FQEVSTJZSA-N 1 0 367.493 3.331 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1-n1cccn1)c1ccsc1 ZINC000048149895 493792781 /nfs/dbraw/zinc/79/27/81/493792781.db2.gz VSMZPKXECNEJHW-KRWDZBQOSA-N 1 0 355.467 3.358 50 0 FGAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)[C@H]1COc2ccccc2O1 ZINC000002497088 493810137 /nfs/dbraw/zinc/81/01/37/493810137.db2.gz PSHDTDQZMSOJJK-ZUOKHONESA-N 1 0 359.422 3.031 50 0 FGAARO CCCCc1c(C)c(OC(C)=O)c(C)cc1OC[C@H](O)C[NH2+]C(C)C ZINC000002546410 493811268 /nfs/dbraw/zinc/81/12/68/493811268.db2.gz DKIMWMCAQKZWPJ-QGZVFWFLSA-N 1 0 351.487 3.309 50 0 FGAARO Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H]3C[NH+]3CCCC3)o2)cc1 ZINC000058134697 493826860 /nfs/dbraw/zinc/82/68/60/493826860.db2.gz LKZJQOAXGVINMJ-SFHVURJKSA-N 1 0 368.481 3.064 50 0 FGAARO Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(NCCCCC[NH3+])n1 ZINC000048435630 493827966 /nfs/dbraw/zinc/82/79/66/493827966.db2.gz LMTZMXKLJLQPIC-UHFFFAOYSA-N 1 0 350.470 3.487 50 0 FGAARO COc1ccc(OCC[NH+]2CCC(NC(=O)c3cccs3)CC2)cc1 ZINC000058171295 493829559 /nfs/dbraw/zinc/82/95/59/493829559.db2.gz RHLPGJNKKZEMPU-UHFFFAOYSA-N 1 0 360.479 3.030 50 0 FGAARO C[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@@H]1CCc2ccccc21 ZINC000029489180 493841188 /nfs/dbraw/zinc/84/11/88/493841188.db2.gz CFIXEXKZHZAXDA-HXUWFJFHSA-N 1 0 363.461 3.137 50 0 FGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(=O)[nH]c2ccccc21 ZINC000003422751 493844675 /nfs/dbraw/zinc/84/46/75/493844675.db2.gz XMAMJSKOJMHDCU-GOSISDBHSA-N 1 0 365.433 3.078 50 0 FGAARO CC[NH+]1CCC(NC(=O)c2ccccc2OCc2c(C)noc2C)CC1 ZINC000029608828 493846803 /nfs/dbraw/zinc/84/68/03/493846803.db2.gz XGVLBXCRTTYUEY-UHFFFAOYSA-N 1 0 357.454 3.085 50 0 FGAARO CCC[NH+]1CCC(N(C(=O)c2ccc(NC(=O)NCC)cc2)C2CC2)CC1 ZINC000004241108 493869554 /nfs/dbraw/zinc/86/95/54/493869554.db2.gz XJBUIYKSETXBCG-UHFFFAOYSA-N 1 0 372.513 3.307 50 0 FGAARO C[NH+](C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccs1 ZINC000004337878 493873402 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CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000040018036 494126995 /nfs/dbraw/zinc/12/69/95/494126995.db2.gz HWTYRPOJCBENLV-NRFANRHFSA-N 1 0 352.478 3.497 50 0 FGAARO CC(C)n1ncc2cc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cnc21 ZINC000040025466 494127085 /nfs/dbraw/zinc/12/70/85/494127085.db2.gz INDIMOLOTJSLJD-OAHLLOKOSA-N 1 0 357.483 3.106 50 0 FGAARO CCn1ccnc1CN1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072120728 494127688 /nfs/dbraw/zinc/12/76/88/494127688.db2.gz JURNMKJJYZZRDI-HMXCVIKNSA-N 1 0 372.463 3.243 50 0 FGAARO CCOc1ncccc1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000040068828 494128610 /nfs/dbraw/zinc/12/86/10/494128610.db2.gz MADWXVYEENVYFG-UHFFFAOYSA-N 1 0 368.481 3.076 50 0 FGAARO COc1ccccc1[C@H]1CN(C(=O)c2cc(C)c[nH]2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072127199 494128954 /nfs/dbraw/zinc/12/89/54/494128954.db2.gz FEXAMRCXFUSXHW-DUXKGJEZSA-N 1 0 365.477 3.034 50 0 FGAARO Cc1ccnc(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072127222 494129883 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O=C1Nc2ccccc2[C@]12CCC[N@H+](Cc1nnc(-c3ccccc3)o1)C2 ZINC000072153836 494137142 /nfs/dbraw/zinc/13/71/42/494137142.db2.gz IQOXJNBVUGBZFW-OAQYLSRUSA-N 1 0 360.417 3.223 50 0 FGAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccsc1)N1CCN(c2ccccn2)CC1 ZINC000040154257 494137694 /nfs/dbraw/zinc/13/76/94/494137694.db2.gz UHFYNYFVSZMMQX-SFHVURJKSA-N 1 0 370.522 3.019 50 0 FGAARO CC[NH+](CC)C[C@H](O)CSc1nnc(Nc2ccccc2C)s1 ZINC000009967888 494138149 /nfs/dbraw/zinc/13/81/49/494138149.db2.gz WBCIDFNSOHBPCQ-ZDUSSCGKSA-N 1 0 352.529 3.385 50 0 FGAARO O=C(c1ccc(O)cc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072157313 494138452 /nfs/dbraw/zinc/13/84/52/494138452.db2.gz VMSOZDYVIUOMHD-PWRODBHTSA-N 1 0 366.436 3.234 50 0 FGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000072162037 494138972 /nfs/dbraw/zinc/13/89/72/494138972.db2.gz NCPKBJIJQXISEB-HXUWFJFHSA-N 1 0 356.445 3.117 50 0 FGAARO COc1cc(C[NH2+]CCCCCO)cc(Br)c1OC(C)C ZINC000040728978 494146252 /nfs/dbraw/zinc/14/62/52/494146252.db2.gz SCRQOKFPGQOUIW-UHFFFAOYSA-N 1 0 360.292 3.497 50 0 FGAARO C[NH+](C)C[C@@H]1CCCC[C@H]1NC(=O)CCn1ncc2ccc(Cl)cc21 ZINC000072246246 494146850 /nfs/dbraw/zinc/14/68/50/494146850.db2.gz KRBTYGOEKTUCHV-DOTOQJQBSA-N 1 0 362.905 3.316 50 0 FGAARO O=C(OC1CCCCC1)c1ccnc(NCCCC[NH+]2CCOCC2)c1 ZINC000072307830 494149728 /nfs/dbraw/zinc/14/97/28/494149728.db2.gz YAUARSDNYJBLRN-UHFFFAOYSA-N 1 0 361.486 3.095 50 0 FGAARO COc1ccc(Br)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000010813241 494161879 /nfs/dbraw/zinc/16/18/79/494161879.db2.gz QCFAIRCHUBHOBY-UHFFFAOYSA-N 1 0 369.303 3.497 50 0 FGAARO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072420160 494169604 /nfs/dbraw/zinc/16/96/04/494169604.db2.gz JDURTXMNVGDTJF-HXUWFJFHSA-N 1 0 367.541 3.223 50 0 FGAARO Cc1nc2c(c(NCc3ccc(-c4ccccn4)s3)n1)CC[NH2+]CC2 ZINC000072420371 494169658 /nfs/dbraw/zinc/16/96/58/494169658.db2.gz CBFAFGMMGOEPLS-UHFFFAOYSA-N 1 0 351.479 3.209 50 0 FGAARO 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COc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)Oc2ccccc2)cc1 ZINC000014109102 494303897 /nfs/dbraw/zinc/30/38/97/494303897.db2.gz LNHAYQMGJCGLTC-IBGZPJMESA-N 1 0 361.463 3.241 50 0 FGAARO CC[C@@H](C)Oc1ccc(C[NH+]2CCC(O)(Cn3ccnc3)CC2)cc1OC ZINC000055254977 494319162 /nfs/dbraw/zinc/31/91/62/494319162.db2.gz YQQKAWLNXYAWHE-QGZVFWFLSA-N 1 0 373.497 3.096 50 0 FGAARO Cc1cc(C)c(C[N@@H+](Cc2cnn(C)c2)CC(C)C)cc1Cn1cncn1 ZINC000055253720 494319484 /nfs/dbraw/zinc/31/94/84/494319484.db2.gz DVYCSWLICDPUQD-UHFFFAOYSA-N 1 0 366.513 3.335 50 0 FGAARO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(NCc2ccc(F)cc2)c1 ZINC000055308535 494325912 /nfs/dbraw/zinc/32/59/12/494325912.db2.gz MEMNGANJBMVNRH-KRWDZBQOSA-N 1 0 355.457 3.462 50 0 FGAARO O=S(=O)(NCC1CC[NH+](Cc2ccsc2)CC1)c1cccs1 ZINC000043944348 494331248 /nfs/dbraw/zinc/33/12/48/494331248.db2.gz KCQPYLVGKYGWTL-UHFFFAOYSA-N 1 0 356.538 3.000 50 0 FGAARO CCOC(=O)c1cn(C[C@@H]2CCC[N@@H+]2CC)cc(Oc2ccccc2)c1=O ZINC000055401700 494337865 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Cc1cc(-n2nc(C(C)C)nc2[C@H](Cc2c[nH]cn2)n2cccc2)cc[nH+]1 ZINC000067539924 494562219 /nfs/dbraw/zinc/56/22/19/494562219.db2.gz IZTHOOWOSXYCKA-SFHVURJKSA-N 1 0 361.453 3.451 50 0 FGAARO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000024140219 494608027 /nfs/dbraw/zinc/60/80/27/494608027.db2.gz SXDYPUAIHHKAPZ-UHFFFAOYSA-N 1 0 370.493 3.405 50 0 FGAARO CCN1CCC[C@]2(CC[N@H+](Cc3cnc(C4CCCCC4)nc3)C2)C1=O ZINC000091493457 494609856 /nfs/dbraw/zinc/60/98/56/494609856.db2.gz DHGSMKMOGZCBEB-OAQYLSRUSA-N 1 0 356.514 3.359 50 0 FGAARO O=C(CCc1cc2n(n1)CCC[N@H+](C[C@@H]1CC=CCC1)C2)N1CCCC1 ZINC000091486994 494611226 /nfs/dbraw/zinc/61/12/26/494611226.db2.gz BDCAFVZHKKSFAR-GOSISDBHSA-N 1 0 356.514 3.000 50 0 FGAARO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@@H]1COc2ccccc2C1 ZINC000091620397 494629314 /nfs/dbraw/zinc/62/93/14/494629314.db2.gz ZSRFNEKGHDJVCZ-INIZCTEOSA-N 1 0 356.491 3.080 50 0 FGAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)c2ccccc12 ZINC000091635651 494634007 /nfs/dbraw/zinc/63/40/07/494634007.db2.gz MUDKZGNHVNPYEE-AZUAARDMSA-N 1 0 365.521 3.133 50 0 FGAARO COc1cc2c(cc1CN1C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C1)OCCCO2 ZINC000091645260 494636282 /nfs/dbraw/zinc/63/62/82/494636282.db2.gz LKSVZMLDWUGBKJ-PKOBYXMFSA-N 1 0 372.509 3.163 50 0 FGAARO CC(C)N1CCC[C@]2(CC[N@H+](Cc3nccn3Cc3ccccc3)C2)C1=O ZINC000091645514 494637502 /nfs/dbraw/zinc/63/75/02/494637502.db2.gz CGJRAAWWKVEEPV-JOCHJYFZSA-N 1 0 366.509 3.154 50 0 FGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cccnn3)CC2)C1 ZINC000091664544 494638287 /nfs/dbraw/zinc/63/82/87/494638287.db2.gz NVUJFISSLPPIIY-LJQANCHMSA-N 1 0 364.493 3.208 50 0 FGAARO OC[C@H]1CN(Cc2c(F)ccc(Cl)c2F)C[C@H]1C[NH+]1CCCCC1 ZINC000091665429 494639392 /nfs/dbraw/zinc/63/93/92/494639392.db2.gz NNGLNUCDCKQWKW-ZIAGYGMSSA-N 1 0 358.860 3.144 50 0 FGAARO OC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH+]1CCCCC1 ZINC000091695700 494648118 /nfs/dbraw/zinc/64/81/18/494648118.db2.gz RSWVEWKWTPTTPY-IAGOWNOFSA-N 1 0 356.432 3.232 50 0 FGAARO OC[C@H]1CN(Cc2c[nH]nc2C2CCCCC2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091713976 494656989 /nfs/dbraw/zinc/65/69/89/494656989.db2.gz RTPGUPSVVZYVMC-NHCUHLMSSA-N 1 0 374.573 3.374 50 0 FGAARO Cc1ccc2nc(C(=O)NC[C@H](c3ccc(F)cc3)[NH+]3CCCC3)cn2c1 ZINC000091756719 494667893 /nfs/dbraw/zinc/66/78/93/494667893.db2.gz RVGCTJNSSTVZLT-LJQANCHMSA-N 1 0 366.440 3.349 50 0 FGAARO Cc1cc(C(F)(F)F)cc(N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)n1 ZINC000108259626 494672192 /nfs/dbraw/zinc/67/21/92/494672192.db2.gz MEUDHHLHCMALLD-QGZVFWFLSA-N 1 0 365.399 3.092 50 0 FGAARO CC(C)n1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cn1 ZINC000091780736 494677329 /nfs/dbraw/zinc/67/73/29/494677329.db2.gz ANRJPPUXSOFBDX-UYAOXDASSA-N 1 0 352.482 3.201 50 0 FGAARO C[C@@H]1CCC[C@@H](C)C1NC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000075092527 494687917 /nfs/dbraw/zinc/68/79/17/494687917.db2.gz MCWLSFXHFRIMIV-IAGOWNOFSA-N 1 0 358.530 3.212 50 0 FGAARO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)c1ccccc1 ZINC000075106383 494690907 /nfs/dbraw/zinc/69/09/07/494690907.db2.gz UXTIWAYYXLWXGW-NRFANRHFSA-N 1 0 352.478 3.204 50 0 FGAARO CN(C)c1cccc(C(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)c1 ZINC000075149184 494699819 /nfs/dbraw/zinc/69/98/19/494699819.db2.gz HFPRPSDYVCMSKP-OAQYLSRUSA-N 1 0 364.493 3.277 50 0 FGAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](CC2CCCCC2)CC1 ZINC000091847367 494705425 /nfs/dbraw/zinc/70/54/25/494705425.db2.gz SSKIVHFUNFVFBV-UHFFFAOYSA-N 1 0 356.518 3.303 50 0 FGAARO COc1cccc([C@H](CNC(=O)CCCOc2ccccc2)[NH+](C)C)c1 ZINC000057288452 494706372 /nfs/dbraw/zinc/70/63/72/494706372.db2.gz NKFKLWRDXLIFEY-FQEVSTJZSA-N 1 0 356.466 3.273 50 0 FGAARO O=c1cc(C[NH+]2CCC(OCc3ccccn3)CC2)[nH]c2c(F)cccc12 ZINC000091871315 494709352 /nfs/dbraw/zinc/70/93/52/494709352.db2.gz YKMHQXSFXVPCEN-UHFFFAOYSA-N 1 0 367.424 3.243 50 0 FGAARO O=C1CCC2(CC[NH+](Cc3ccoc3)CC2)CN1CCc1ccncc1 ZINC000091907085 494718582 /nfs/dbraw/zinc/71/85/82/494718582.db2.gz YHAIEWVLHHVPNZ-UHFFFAOYSA-N 1 0 353.466 3.122 50 0 FGAARO Cc1noc(C)c1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091914957 494720497 /nfs/dbraw/zinc/72/04/97/494720497.db2.gz WNKQLMHZZCMJBI-FUHWJXTLSA-N 1 0 357.429 3.167 50 0 FGAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1sccc1C(N)=O)c1ccc(Cl)cc1 ZINC000057383507 494729026 /nfs/dbraw/zinc/72/90/26/494729026.db2.gz MURAXGPVMXEXFD-OAHLLOKOSA-N 1 0 365.886 3.426 50 0 FGAARO CCNc1ncc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cn1 ZINC000091943556 494730255 /nfs/dbraw/zinc/73/02/55/494730255.db2.gz ZEJHLGQYOHYDGB-IBGZPJMESA-N 1 0 367.497 3.256 50 0 FGAARO CC(=O)N[C@@H]1C[N@H+](Cc2ccc3cccc(F)c3n2)C[C@H]1c1ccc(C)o1 ZINC000091951341 494731544 /nfs/dbraw/zinc/73/15/44/494731544.db2.gz MCCOZDXXZFXPRT-IEBWSBKVSA-N 1 0 367.424 3.379 50 0 FGAARO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H](c2ccccc2)N(C)C)c1C ZINC000025637840 494763485 /nfs/dbraw/zinc/76/34/85/494763485.db2.gz JUNSZGMUSJLQOE-LEWJYISDSA-N 1 0 356.510 3.244 50 0 FGAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000092036894 494763629 /nfs/dbraw/zinc/76/36/29/494763629.db2.gz DFVXNUKYJLZRSA-SFHVURJKSA-N 1 0 369.509 3.466 50 0 FGAARO COc1ccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)cc1Cl ZINC000092038588 494764381 /nfs/dbraw/zinc/76/43/81/494764381.db2.gz CIKWHYCHQDZRMO-QZTJIDSGSA-N 1 0 366.933 3.265 50 0 FGAARO COc1cccc([C@H]2CN(C(=O)CCCC(=O)c3ccccc3)C[C@@H]2[NH3+])c1 ZINC000092045569 494768588 /nfs/dbraw/zinc/76/85/88/494768588.db2.gz CHPZUPUJLNIIPL-UXHICEINSA-N 1 0 366.461 3.002 50 0 FGAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sccc1C(N)=O)c1ccc(Cl)cc1 ZINC000027537436 494872254 /nfs/dbraw/zinc/87/22/54/494872254.db2.gz XAWGWVPSCFDVRM-ZJUUUORDSA-N 1 0 351.859 3.178 50 0 FGAARO COc1ccccc1[C@@H](CNC(=O)c1ccc2[nH]cnc2c1)[NH+]1CCCC1 ZINC000027570778 494874604 /nfs/dbraw/zinc/87/46/04/494874604.db2.gz YXAPPUXYLARVEZ-LJQANCHMSA-N 1 0 364.449 3.138 50 0 FGAARO Cc1ccc2[nH]c(CCC(=O)N3C[C@@H](C(C)C)[C@H]([NH+](C)C)C3)nc2c1C ZINC000095353855 494961357 /nfs/dbraw/zinc/96/13/57/494961357.db2.gz VUZSEUOHWGNMNA-FUHWJXTLSA-N 1 0 356.514 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QPHKPTFAPLMETL-UHFFFAOYSA-N 1 0 357.381 3.452 50 0 FGAARO CCOc1ccc([C@]2(O)[C@@H](C)N3CCCC3=[N+]2c2ccc(OC)cc2)cc1 ZINC000003218580 210455698 /nfs/dbraw/zinc/45/56/98/210455698.db2.gz ZIYMBADOEKPYBI-OPAMFIHVSA-N 1 0 367.469 3.353 50 0 FGAARO Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000002421867 210398585 /nfs/dbraw/zinc/39/85/85/210398585.db2.gz AFNCQKSMZYNBCY-IBGZPJMESA-N 1 0 362.429 3.208 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000002635639 210409810 /nfs/dbraw/zinc/40/98/10/210409810.db2.gz FHCPLXLTFFPFFI-KRWDZBQOSA-N 1 0 361.283 3.411 50 0 FGAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)c1cccc(F)c1 ZINC000002514732 210403559 /nfs/dbraw/zinc/40/35/59/210403559.db2.gz NMMSLWMXRGEUHH-UHFFFAOYSA-N 1 0 355.409 3.396 50 0 FGAARO C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000002401364 210396347 /nfs/dbraw/zinc/39/63/47/210396347.db2.gz BWWNXZZVYXBXRW-SFHVURJKSA-N 1 0 366.392 3.039 50 0 FGAARO C[NH+](C)[C@@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccccc1 ZINC000001243855 210338512 /nfs/dbraw/zinc/33/85/12/210338512.db2.gz SREGGMYCLLEVFK-WOJBJXKFSA-N 1 0 352.459 3.476 50 0 FGAARO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000000757888 210268834 /nfs/dbraw/zinc/26/88/34/210268834.db2.gz QNAMJLJRRGLARY-HXUWFJFHSA-N 1 0 357.542 3.231 50 0 FGAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1OC ZINC000000778799 210268619 /nfs/dbraw/zinc/26/86/19/210268619.db2.gz QIGXKNQEHXZZOO-MRXNPFEDSA-N 1 0 360.498 3.174 50 0 FGAARO Cc1ccc([C@H](CNC(=O)c2ccccc2C)N2CC[NH+](C)CC2)cc1 ZINC000022582370 220391799 /nfs/dbraw/zinc/39/17/99/220391799.db2.gz KFFPVLUOIAGQSS-NRFANRHFSA-N 1 0 351.494 3.022 50 0 FGAARO Cc1ccc([C@H](CNC(=O)Nc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022582323 220391853 /nfs/dbraw/zinc/39/18/53/220391853.db2.gz DOMUWYCGOCMUDJ-FQEVSTJZSA-N 1 0 352.482 3.105 50 0 FGAARO COc1ccc(Cl)cc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000048356439 221010182 /nfs/dbraw/zinc/01/01/82/221010182.db2.gz SNDNSZIRBAXDGC-UHFFFAOYSA-N 1 0 362.857 3.219 50 0 FGAARO CCCNC(=O)NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000057929572 221095775 /nfs/dbraw/zinc/09/57/75/221095775.db2.gz RNDLYQRMLIGDJB-GOSISDBHSA-N 1 0 359.495 3.225 50 0 FGAARO C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(N3CCSCC3)nc2)no1 ZINC000065216444 221181554 /nfs/dbraw/zinc/18/15/54/221181554.db2.gz UFSWHESLEFWKPS-AWEZNQCLSA-N 1 0 359.499 3.059 50 0 FGAARO Cc1nc(N(C)C)cc(NCCNC(=O)Nc2ccc3ccccc3c2)[nH+]1 ZINC000065364749 221203759 /nfs/dbraw/zinc/20/37/59/221203759.db2.gz CTQSNJIOWYTHHB-UHFFFAOYSA-N 1 0 364.453 3.238 50 0 FGAARO CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000065383603 221207749 /nfs/dbraw/zinc/20/77/49/221207749.db2.gz VLSHRZHZLLKBNZ-HNNXBMFYSA-N 1 0 365.886 3.393 50 0 FGAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H]1Cn1cccn1 ZINC000065394261 221209364 /nfs/dbraw/zinc/20/93/64/221209364.db2.gz DBGVXRIDTISHIN-FQEVSTJZSA-N 1 0 352.482 3.174 50 0 FGAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2cnn3c2nc(C)cc3C)C[C@H]1O ZINC000065423357 221217852 /nfs/dbraw/zinc/21/78/52/221217852.db2.gz JVNQBFMRWGWFHX-IAGOWNOFSA-N 1 0 356.495 3.066 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000065511820 221228376 /nfs/dbraw/zinc/22/83/76/221228376.db2.gz PLEQLUWSSWFVCB-SWLSCSKDSA-N 1 0 353.919 3.112 50 0 FGAARO COc1cccc(C)c1NC(=O)c1cccc(CN2CCC[N@H+](C)CC2)c1 ZINC000065527941 221231394 /nfs/dbraw/zinc/23/13/94/221231394.db2.gz CTPRNGRPUJWHJI-UHFFFAOYSA-N 1 0 367.493 3.393 50 0 FGAARO O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000067283448 221250852 /nfs/dbraw/zinc/25/08/52/221250852.db2.gz DUTWQGPBPSRHCX-UHFFFAOYSA-N 1 0 373.888 3.011 50 0 FGAARO C[N@H+](CCc1ccccc1)C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067447288 221254374 /nfs/dbraw/zinc/25/43/74/221254374.db2.gz LNZRCDRZXOBNQE-QHCPKHFHSA-N 1 0 372.553 3.485 50 0 FGAARO C[C@H]1CCC[N@H+](CCC(=O)N2CCc3onc(-c4ccccc4)c3C2)C1 ZINC000067515019 221258522 /nfs/dbraw/zinc/25/85/22/221258522.db2.gz ZEUWPPKNRIIDCL-INIZCTEOSA-N 1 0 353.466 3.348 50 0 FGAARO Cc1ccc2c(c1)c(CNc1cc([C@@H]3CCC[NH2+]C3)nc(C)n1)nn2C ZINC000067559293 221259488 /nfs/dbraw/zinc/25/94/88/221259488.db2.gz BBMXCELVFRVEQA-OAHLLOKOSA-N 1 0 350.470 3.059 50 0 FGAARO Cc1c2ccccc2[nH]c1C[N@@H+](C)C[C@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000067588749 221261547 /nfs/dbraw/zinc/26/15/47/221261547.db2.gz FGKOFKGEWGLJNY-JOCHJYFZSA-N 1 0 371.525 3.308 50 0 FGAARO Cc1ccnc([C@H](Nc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)C2CC2)c1 ZINC000067605543 221262543 /nfs/dbraw/zinc/26/25/43/221262543.db2.gz YRHGGUVGGMQCCR-HXUWFJFHSA-N 1 0 372.476 3.451 50 0 FGAARO Cc1nccn1-c1ccccc1CNc1cc([C@@H]2CCC[NH2+]C2)nc(C)n1 ZINC000067724492 221276165 /nfs/dbraw/zinc/27/61/65/221276165.db2.gz MPFKPSAGVUPXRN-QGZVFWFLSA-N 1 0 362.481 3.358 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc4[nH]ccc4c3)cnn2c1 ZINC000067677343 221270587 /nfs/dbraw/zinc/27/05/87/221270587.db2.gz GHHGHLBSXQLKMC-UHFFFAOYSA-N 1 0 362.437 3.305 50 0 FGAARO COc1ccc(Oc2ccc(-c3nccn3C)nn2)cc1C[NH+]1CCCC1 ZINC000067785903 221284219 /nfs/dbraw/zinc/28/42/19/221284219.db2.gz CCIAKOWJWLEELW-UHFFFAOYSA-N 1 0 365.437 3.274 50 0 FGAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO3)s1 ZINC000067868417 221296638 /nfs/dbraw/zinc/29/66/38/221296638.db2.gz JDYLAQSSYBQRPC-AWEZNQCLSA-N 1 0 372.490 3.102 50 0 FGAARO C[NH+]1CCC(Cc2noc(-c3cccc(Oc4ncccn4)c3)n2)CC1 ZINC000067934379 221306644 /nfs/dbraw/zinc/30/66/44/221306644.db2.gz BHGBYKSBMCAMOW-UHFFFAOYSA-N 1 0 351.410 3.203 50 0 FGAARO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cc1O ZINC000071714601 221355387 /nfs/dbraw/zinc/35/53/87/221355387.db2.gz BUUGMSVBZNWXBS-UEVCKROQSA-N 1 0 364.489 3.463 50 0 FGAARO Cc1cccc(CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)c1 ZINC000071830528 221381664 /nfs/dbraw/zinc/38/16/64/221381664.db2.gz BDEUPLYLOWNAON-QFIPXVFZSA-N 1 0 363.461 3.082 50 0 FGAARO CC[C@H]1CN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)CC[N@@H+]1C ZINC000071765379 221372916 /nfs/dbraw/zinc/37/29/16/221372916.db2.gz NRXXBEKQESVMFD-HNNXBMFYSA-N 1 0 359.470 3.193 50 0 FGAARO COc1ncc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071776778 221374484 /nfs/dbraw/zinc/37/44/84/221374484.db2.gz SSJISSHMDIMUDB-FQEVSTJZSA-N 1 0 372.488 3.357 50 0 FGAARO c1cc(-c2nc3c(c(N[C@@H]4COC5(C4)CCCCC5)n2)C[NH2+]C3)ccn1 ZINC000072151311 221429298 /nfs/dbraw/zinc/42/92/98/221429298.db2.gz BWXKDRCRYWAYNR-HNNXBMFYSA-N 1 0 351.454 3.046 50 0 FGAARO COCCn1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC000072297646 221458115 /nfs/dbraw/zinc/45/81/15/221458115.db2.gz HXDVJSHADOKWSB-SFHVURJKSA-N 1 0 369.509 3.236 50 0 FGAARO Cc1cc(N2CCN(C(=O)CCC(=O)c3ccc(F)cc3)CC2)cc(C)[nH+]1 ZINC000077341053 132181457 /nfs/dbraw/zinc/18/14/57/132181457.db2.gz DUFQWMKEDDSSLH-UHFFFAOYSA-N 1 0 369.440 3.149 50 0 FGAARO c1ccc([C@@H]2CCCCN2c2ncnc3sc4c(c32)CC[NH2+]C4)nc1 ZINC000082133676 132196628 /nfs/dbraw/zinc/19/66/28/132196628.db2.gz ZAPIDUHMDUJJRB-HNNXBMFYSA-N 1 0 351.479 3.464 50 0 FGAARO Cc1cc2c(ncnc2N2CCC([N@H+](C)CCCn3cccn3)CC2)s1 ZINC000096164335 132221545 /nfs/dbraw/zinc/22/15/45/132221545.db2.gz KFNYOCXIVMFWHF-UHFFFAOYSA-N 1 0 370.526 3.187 50 0 FGAARO Cc1cc(N2CCC(CNC(=O)NCCc3ccccc3)CC2)cc[nH+]1 ZINC000253402465 132377129 /nfs/dbraw/zinc/37/71/29/132377129.db2.gz OKBBXCKTJOSSLT-UHFFFAOYSA-N 1 0 352.482 3.148 50 0 FGAARO COc1ccccc1N1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000002760699 132384045 /nfs/dbraw/zinc/38/40/45/132384045.db2.gz JBOKTGDFSVCFQD-UHFFFAOYSA-N 1 0 373.884 3.499 50 0 FGAARO Cc1cc(C[N@@H+](C)C2CCN(c3ccc(-n4cccn4)cc3)CC2)on1 ZINC000048071991 136122890 /nfs/dbraw/zinc/12/28/90/136122890.db2.gz VJIMSAWKPKKKEC-UHFFFAOYSA-N 1 0 351.454 3.270 50 0 FGAARO CC[NH+]1CCN(c2ccc(-c3nc(-c4cccc(F)c4)no3)cn2)CC1 ZINC000064676910 136133633 /nfs/dbraw/zinc/13/36/33/136133633.db2.gz XBAMOCOZMSZSHY-UHFFFAOYSA-N 1 0 353.401 3.080 50 0 FGAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(c3noc(C(C)C)n3)C2)CC1 ZINC000072162930 136143332 /nfs/dbraw/zinc/14/33/32/136143332.db2.gz YUOYFLJICDYTCR-SFHVURJKSA-N 1 0 369.513 3.292 50 0 FGAARO Cc1cc(N2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)cc(C)[nH+]1 ZINC000072473674 136149007 /nfs/dbraw/zinc/14/90/07/136149007.db2.gz OKMIAEUSNDTHAI-GOSISDBHSA-N 1 0 368.529 3.197 50 0 FGAARO CC(C)c1ccc(C[NH+]2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1 ZINC000091664155 221781702 /nfs/dbraw/zinc/78/17/02/221781702.db2.gz JSLSTRVKSSYMSD-UHFFFAOYSA-N 1 0 358.526 3.397 50 0 FGAARO CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095375598 221877604 /nfs/dbraw/zinc/87/76/04/221877604.db2.gz MTVYXSHFSZNERH-SFHVURJKSA-N 1 0 352.434 3.155 50 0 FGAARO COc1ccc(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]n2)cc1 ZINC000096125615 222035705 /nfs/dbraw/zinc/03/57/05/222035705.db2.gz MXASQKXJRPXUBH-OXQOHEQNSA-N 1 0 368.481 3.080 50 0 FGAARO Cc1nc[nH]c1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000096150307 222051212 /nfs/dbraw/zinc/05/12/12/222051212.db2.gz YJKCNBINTHKTRK-GOSISDBHSA-N 1 0 352.482 3.060 50 0 FGAARO COc1cc(NC(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)ccc1C ZINC000096153686 222054646 /nfs/dbraw/zinc/05/46/46/222054646.db2.gz OVSWNHQZYJCXBT-GOSISDBHSA-N 1 0 361.486 3.112 50 0 FGAARO COc1cccc2c1OCC(C[N@@H+]1CCC[C@@H]1c1ccc(C(N)=O)s1)=C2 ZINC000096449021 222120205 /nfs/dbraw/zinc/12/02/05/222120205.db2.gz OHNUPNMHNYAYLL-OAHLLOKOSA-N 1 0 370.474 3.469 50 0 FGAARO C[C@H](c1cccc(OCC[NH+](C)C)c1)N1CCN(C(=O)C2CCCC2)CC1 ZINC000097165386 222165472 /nfs/dbraw/zinc/16/54/72/222165472.db2.gz FUZJEVKFUIYZQN-GOSISDBHSA-N 1 0 373.541 3.022 50 0 FGAARO CC[N@H+](C)C1(CNC(=O)c2cnc(N)nc2-c2ccccc2)CCCCC1 ZINC000097475020 222183670 /nfs/dbraw/zinc/18/36/70/222183670.db2.gz UEPDEGHKNQPWAE-UHFFFAOYSA-N 1 0 367.497 3.110 50 0 FGAARO Cc1ccc2c(cc(C(=O)N3CCC([NH+]4CCSCC4)CC3)n2C)c1 ZINC000097527249 222188286 /nfs/dbraw/zinc/18/82/86/222188286.db2.gz FFZKMGBWLSRNMA-UHFFFAOYSA-N 1 0 357.523 3.140 50 0 FGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H]2CCOc3ccccc3C2)CC1 ZINC000097594935 222195293 /nfs/dbraw/zinc/19/52/93/222195293.db2.gz PIAUVEGVRDYSNJ-LJQANCHMSA-N 1 0 365.477 3.070 50 0 FGAARO CC(C)(C)[C@H](C[NH+]1CCCC1)NC(=O)c1c[nH]nc1-c1cccc(F)c1 ZINC000097600970 222197178 /nfs/dbraw/zinc/19/71/78/222197178.db2.gz PEFJWWVIHLUSSP-KRWDZBQOSA-N 1 0 358.461 3.456 50 0 FGAARO Cc1ccccc1-c1cccc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097604256 222198732 /nfs/dbraw/zinc/19/87/32/222198732.db2.gz YMYFWWSYRZUFPY-FQEVSTJZSA-N 1 0 364.493 3.173 50 0 FGAARO CCOc1cc(CN2CC[NH+](C3Cc4ccccc4C3)CC2)ccc1OC ZINC000097653983 222202808 /nfs/dbraw/zinc/20/28/08/222202808.db2.gz UEVSGNCQGZMNJU-UHFFFAOYSA-N 1 0 366.505 3.379 50 0 FGAARO O=C(NCc1cccc(-c2ccccc2)c1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000097698836 222206758 /nfs/dbraw/zinc/20/67/58/222206758.db2.gz HWHDUSIPUVPQHD-QFIPXVFZSA-N 1 0 363.505 3.186 50 0 FGAARO COc1cc(F)c(C[N@H+](C)C[C@H]2CC(=O)N(C3CCCC3)C2)cc1OC ZINC000097732716 222208182 /nfs/dbraw/zinc/20/81/82/222208182.db2.gz JFOQDLLIKHLQLD-CQSZACIVSA-N 1 0 364.461 3.066 50 0 FGAARO Cc1cc(NC(=O)N2CCC[C@@H]([NH3+])CC2)n(Cc2ccc(Cl)cc2)n1 ZINC000097759408 222211168 /nfs/dbraw/zinc/21/11/68/222211168.db2.gz LDQUBKNKOQPNMQ-MRXNPFEDSA-N 1 0 361.877 3.238 50 0 FGAARO Cc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4cccs4)CC3)[nH]n2)o1 ZINC000097775786 222212401 /nfs/dbraw/zinc/21/24/01/222212401.db2.gz OABALBGPOVNRHM-UHFFFAOYSA-N 1 0 370.478 3.434 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1)[C@H]1CCOC1 ZINC000097785617 222213645 /nfs/dbraw/zinc/21/36/45/222213645.db2.gz SUWVRWXKETYCBT-NRFANRHFSA-N 1 0 364.489 3.471 50 0 FGAARO C[NH+]1CCC(CC(=O)NC[C@@H](O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000097819569 222214593 /nfs/dbraw/zinc/21/45/93/222214593.db2.gz OKYBSOPBVXNGCD-OAQYLSRUSA-N 1 0 368.477 3.360 50 0 FGAARO Cc1ccc(Cl)cc1NC(=O)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000102536553 222299512 /nfs/dbraw/zinc/29/95/12/222299512.db2.gz LZWQACABKGKBDL-MRXNPFEDSA-N 1 0 351.878 3.367 50 0 FGAARO Cc1c(C(=O)N2CCC[C@@H](C)C2)c(C(F)(F)F)nn1[C@H]1CCC[N@H+](C)C1 ZINC000105684125 222373565 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CCCOc1cccc(CNC[C@H](C[NH+](C)C)[C@@H](O)c2ccccc2)c1 ZINC000058213552 493833894 /nfs/dbraw/zinc/83/38/94/493833894.db2.gz FRYCJMNGHVWVBR-IRLDBZIGSA-N 1 0 356.510 3.476 50 0 FGAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCCn4ccnc4)[C@H]3C=C12 ZINC000003984182 493861101 /nfs/dbraw/zinc/86/11/01/493861101.db2.gz XBYCLWZNSPFVFP-YAOJWGSESA-N 1 0 357.498 3.177 50 0 FGAARO COc1c2c(cc3c1[C@@H](C[C@H](O)c1ccc(F)cc1)[N@H+](C)CC3)OCO2 ZINC000004029145 493861886 /nfs/dbraw/zinc/86/18/86/493861886.db2.gz RNCVRYBKZGHKKT-CVEARBPZSA-N 1 0 359.397 3.216 50 0 FGAARO OCCC[NH2+]C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004139853 493865930 /nfs/dbraw/zinc/86/59/30/493865930.db2.gz GECKYGWNPGODBD-AWEZNQCLSA-N 1 0 367.276 3.434 50 0 FGAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCC(=O)NC(C)(C)C ZINC000004504192 493879546 /nfs/dbraw/zinc/87/95/46/493879546.db2.gz JNWIKKTYZRHCQJ-UHFFFAOYSA-N 1 0 362.495 3.340 50 0 FGAARO COc1cc2c(cc1O)[C@@H](CCc1cc(OC)c(O)c(OC)c1)[N@H+](C)CC2 ZINC000004532729 493881248 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c1cnn(-c2ccc(C[NH2+]CCc3nccn3Cc3ccccc3)cc2)c1 ZINC000030664506 493903315 /nfs/dbraw/zinc/90/33/15/493903315.db2.gz YHFPSSDFOBSFFY-UHFFFAOYSA-N 1 0 357.461 3.449 50 0 FGAARO COCC[NH2+]C[C@@H]1[C@@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccccc1C ZINC000004992271 493906126 /nfs/dbraw/zinc/90/61/26/493906126.db2.gz UPRSKMZTXCAADM-RTBURBONSA-N 1 0 374.868 3.047 50 0 FGAARO O=C(C[NH+]1CCCCC1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000005280487 493923085 /nfs/dbraw/zinc/92/30/85/493923085.db2.gz WSAHGFLWXGOILS-HRAATJIYSA-N 1 0 352.434 3.149 50 0 FGAARO O=C(c1cc(Br)ccc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000069321641 493955660 /nfs/dbraw/zinc/95/56/60/493955660.db2.gz HWJFLFXOONUTNR-LBPRGKRZSA-N 1 0 357.679 3.413 50 0 FGAARO CCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000006264313 493956124 /nfs/dbraw/zinc/95/61/24/493956124.db2.gz JKCZDUATSDBUGQ-HJNYFJLDSA-N 1 0 374.525 3.280 50 0 FGAARO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000032080129 493973060 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O=C(Cc1noc2ccccc12)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761837 494013454 /nfs/dbraw/zinc/01/34/54/494013454.db2.gz OJUSDTZFOHCMID-MRXNPFEDSA-N 1 0 355.463 3.385 50 0 FGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000007724435 494038386 /nfs/dbraw/zinc/03/83/86/494038386.db2.gz YPCHRDYHGLVKMG-OAHLLOKOSA-N 1 0 356.466 3.291 50 0 FGAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000007813807 494044792 /nfs/dbraw/zinc/04/47/92/494044792.db2.gz HZFXZHKHISCOTD-PQGQHUGISA-N 1 0 373.493 3.196 50 0 FGAARO COc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1OC(F)F ZINC000007817253 494045320 /nfs/dbraw/zinc/04/53/20/494045320.db2.gz COVVEUPGPIAPFS-HNNXBMFYSA-N 1 0 364.392 3.329 50 0 FGAARO COCCN1C[C@@]2(CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)CCC1=O ZINC000077287580 494048615 /nfs/dbraw/zinc/04/86/15/494048615.db2.gz ISMGSMWUSRXNNV-NRFANRHFSA-N 1 0 355.482 3.019 50 0 FGAARO OCCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000077320890 494056317 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CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000084544279 494081339 /nfs/dbraw/zinc/08/13/39/494081339.db2.gz PYFSKYAPZKWIQQ-CYBMUJFWSA-N 1 0 360.285 3.472 50 0 FGAARO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](CCCC(C)C)C3)CCC2=O)cn1 ZINC000077439639 494083592 /nfs/dbraw/zinc/08/35/92/494083592.db2.gz KABBQPHGTRGSNX-NRFANRHFSA-N 1 0 358.530 3.426 50 0 FGAARO COCCC[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COCc1ccco1 ZINC000036030977 494084222 /nfs/dbraw/zinc/08/42/22/494084222.db2.gz RJZPZDTTZWYKOH-FQEVSTJZSA-N 1 0 361.482 3.313 50 0 FGAARO CCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COCc1ccco1 ZINC000036097224 494086087 /nfs/dbraw/zinc/08/60/87/494086087.db2.gz XQFGTAVLSZMIRR-QGZVFWFLSA-N 1 0 363.454 3.087 50 0 FGAARO COCCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036095207 494086882 /nfs/dbraw/zinc/08/68/82/494086882.db2.gz MHCSPZXZGDDYSI-OAQYLSRUSA-N 1 0 373.493 3.111 50 0 FGAARO C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccsc1 ZINC000008749963 494103805 /nfs/dbraw/zinc/10/38/05/494103805.db2.gz 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O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cccc2c1CCCC2 ZINC000058433989 212010429 /nfs/dbraw/zinc/01/04/29/212010429.db2.gz JNASJCPXDGDSAI-PXNSSMCTSA-N 1 0 357.498 3.188 50 0 FGAARO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000058213095 211996194 /nfs/dbraw/zinc/99/61/94/211996194.db2.gz WEBCFLUTMLIUGI-CYBMUJFWSA-N 1 0 373.328 3.389 50 0 FGAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012913993 220042047 /nfs/dbraw/zinc/04/20/47/220042047.db2.gz ZDAZZXYJHQOODW-IEBWSBKVSA-N 1 0 365.477 3.215 50 0 FGAARO CC[N@@H+]1CC[C@]2(CCN(Cc3c[nH]nc3-c3ccc(OC)c(F)c3)C2)C1 ZINC000015961751 220173257 /nfs/dbraw/zinc/17/32/57/220173257.db2.gz NIGZWWZYWVGUAF-FQEVSTJZSA-N 1 0 358.461 3.142 50 0 FGAARO C[NH+](C)C[C@@H](CNC(=O)Nc1cccc(Cl)c1)[C@H](O)c1ccccc1 ZINC000032912655 211573072 /nfs/dbraw/zinc/57/30/72/211573072.db2.gz FBSSGQMNBKQRAQ-CRAIPNDOSA-N 1 0 361.873 3.373 50 0 FGAARO C[C@@H](C(=O)Nc1ccc(F)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022935326 211370292 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O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1CCCC1 ZINC000019369520 211219137 /nfs/dbraw/zinc/21/91/37/211219137.db2.gz HKLMSQULJPKDGF-UHFFFAOYSA-N 1 0 363.505 3.016 50 0 FGAARO COc1ccc(CC2(CO)CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000019147931 211203711 /nfs/dbraw/zinc/20/37/11/211203711.db2.gz CBVMORHEVXHPMX-UHFFFAOYSA-N 1 0 351.490 3.480 50 0 FGAARO COCCn1c(C)cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCCCC2)c1=O ZINC000016993394 211176442 /nfs/dbraw/zinc/17/64/42/211176442.db2.gz TYESIMDJZTVUSB-HXUWFJFHSA-N 1 0 374.456 3.223 50 0 FGAARO Cc1oc(-c2cccc(C)c2)nc1CN1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000015074101 211118972 /nfs/dbraw/zinc/11/89/72/211118972.db2.gz FIHLKXJOQIYUDX-FQEVSTJZSA-N 1 0 369.509 3.380 50 0 FGAARO CN(C(=O)c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015068019 211117660 /nfs/dbraw/zinc/11/76/60/211117660.db2.gz OUJRIFXHVZSHMB-IBGZPJMESA-N 1 0 366.461 3.194 50 0 FGAARO COc1ccccc1OCC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000014961403 211109514 /nfs/dbraw/zinc/10/95/14/211109514.db2.gz AZYHODOBXREJJP-GOSISDBHSA-N 1 0 360.498 3.235 50 0 FGAARO CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1cccnc1)CC2 ZINC000014540852 211095060 /nfs/dbraw/zinc/09/50/60/211095060.db2.gz YBJZVMGDSNUIMS-UHFFFAOYSA-N 1 0 372.513 3.135 50 0 FGAARO CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1ccncc1)CC2 ZINC000014542673 211094560 /nfs/dbraw/zinc/09/45/60/211094560.db2.gz KIAARKGDDFRYEQ-UHFFFAOYSA-N 1 0 372.513 3.135 50 0 FGAARO CCCCNC(=O)[C@H]1C[NH2+]C[C@@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014747810 211100234 /nfs/dbraw/zinc/10/02/34/211100234.db2.gz STESLZXQCOMKLG-UONOGXRCSA-N 1 0 358.404 3.226 50 0 FGAARO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)CC1 ZINC000012595734 210974482 /nfs/dbraw/zinc/97/44/82/210974482.db2.gz MBTPVZRYWIZJHU-HNNXBMFYSA-N 1 0 356.470 3.452 50 0 FGAARO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c1OC ZINC000001458192 210354362 /nfs/dbraw/zinc/35/43/62/210354362.db2.gz WYIHWULPTDPCBO-SFHVURJKSA-N 1 0 360.498 3.318 50 0 FGAARO COc1ccc(OC[C@@H](O)C[n+]2c3ccccc3n(C)c2C(C)C)cc1 ZINC000001216005 210335941 /nfs/dbraw/zinc/33/59/41/210335941.db2.gz GGDZWBIAGFAHEZ-INIZCTEOSA-N 1 0 355.458 3.038 50 0 FGAARO COc1ccc(OC[C@H](O)C[n+]2c3ccccc3n(C)c2C(C)C)cc1 ZINC000001216006 210334955 /nfs/dbraw/zinc/33/49/55/210334955.db2.gz GGDZWBIAGFAHEZ-MRXNPFEDSA-N 1 0 355.458 3.038 50 0 FGAARO CC[NH+](CC)CCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000865040 210282248 /nfs/dbraw/zinc/28/22/48/210282248.db2.gz OBPFJQCHOOQODN-JQBYJRRVSA-N 1 0 374.484 3.220 50 0 FGAARO O=C(c1ccc(Br)o1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022610921 220391686 /nfs/dbraw/zinc/39/16/86/220391686.db2.gz HYDIWVOJYPOJFY-UHFFFAOYSA-N 1 0 363.255 3.390 50 0 FGAARO COc1ccc(OC)c(C[NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)c1 ZINC000022786844 220398106 /nfs/dbraw/zinc/39/81/06/220398106.db2.gz SMEDLXYNRXGECU-SFHVURJKSA-N 1 0 374.481 3.114 50 0 FGAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000048313409 221007136 /nfs/dbraw/zinc/00/71/36/221007136.db2.gz UTQKBQSCBPFPAV-CQSZACIVSA-N 1 0 373.419 3.265 50 0 FGAARO Cc1cc(C)c(NC(=O)CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000058213888 221108574 /nfs/dbraw/zinc/10/85/74/221108574.db2.gz YGVJEHMLXNFBEL-UHFFFAOYSA-N 1 0 374.529 3.159 50 0 FGAARO CCCCc1nn2c(nc(C[N@H+](C)Cc3ccc(C)cc3)cc2=O)s1 ZINC000064592901 221149005 /nfs/dbraw/zinc/14/90/05/221149005.db2.gz NXRAIGHEHAKHRU-UHFFFAOYSA-N 1 0 356.495 3.434 50 0 FGAARO Cc1ccc2cc(CCC(=O)NCCC[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000065245599 221185921 /nfs/dbraw/zinc/18/59/21/221185921.db2.gz XFRBORZHLWKESA-UHFFFAOYSA-N 1 0 355.482 3.174 50 0 FGAARO OC[C@H]1CCCC[N@@H+]1CCn1cnc(-c2ccccc2)c1-c1ccncc1 ZINC000065383769 221207756 /nfs/dbraw/zinc/20/77/56/221207756.db2.gz OAYIXZVDOCUWOR-HXUWFJFHSA-N 1 0 362.477 3.459 50 0 FGAARO C[NH+](C)Cc1cccc([C@@H]2CC(=O)Nc3cc(N4CCOC4=O)ccc32)c1 ZINC000065384382 221208807 /nfs/dbraw/zinc/20/88/07/221208807.db2.gz MUUHLHHEGALXMC-SFHVURJKSA-N 1 0 365.433 3.179 50 0 FGAARO CCc1nccn1C[C@@H](C)[NH2+]C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000065407668 221214501 /nfs/dbraw/zinc/21/45/01/221214501.db2.gz ZAXXEHXSCMZAMP-MRXNPFEDSA-N 1 0 355.486 3.120 50 0 FGAARO O=C(CC[NH+]1CCCC1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000065407314 221214828 /nfs/dbraw/zinc/21/48/28/221214828.db2.gz RHOAMTGWCHDYKZ-LEWJYISDSA-N 1 0 352.478 3.003 50 0 FGAARO CCCC[C@@H](c1cccnc1)n1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065417165 221216559 /nfs/dbraw/zinc/21/65/59/221216559.db2.gz ICSIUCCQZPLIDL-HNNXBMFYSA-N 1 0 354.479 3.278 50 0 FGAARO Cn1nc(C2CC2)c2c1NC(=O)C[C@@H]2c1cc(C[NH+]2CCCC2)cs1 ZINC000065396729 221211406 /nfs/dbraw/zinc/21/14/06/221211406.db2.gz TWUYERVHVICVJS-CQSZACIVSA-N 1 0 356.495 3.429 50 0 FGAARO C[C@@H](c1ccon1)N(C)C(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065493253 221226069 /nfs/dbraw/zinc/22/60/69/221226069.db2.gz KAAXHDBHUIRTEY-ZDUSSCGKSA-N 1 0 363.845 3.049 50 0 FGAARO O[C@@H]1C[N@H+](Cc2cccn2-c2cccnc2)CC[C@H]1c1ccc(F)cc1 ZINC000065536239 221232815 /nfs/dbraw/zinc/23/28/15/221232815.db2.gz YUBLHMZONXDTEJ-LEWJYISDSA-N 1 0 351.425 3.362 50 0 FGAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)Cc2ccccc2-n2cccn2)n1 ZINC000067654174 221266273 /nfs/dbraw/zinc/26/62/73/221266273.db2.gz WFTYCGXSQJELHF-QGZVFWFLSA-N 1 0 362.481 3.074 50 0 FGAARO O=C1N(CCC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1ccccc1F ZINC000067513782 221257070 /nfs/dbraw/zinc/25/70/70/221257070.db2.gz NCUGURBIIAYYGB-OAQYLSRUSA-N 1 0 362.489 3.239 50 0 FGAARO O=c1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c2cccc3c2n1CCC3 ZINC000067561174 221259445 /nfs/dbraw/zinc/25/94/45/221259445.db2.gz JPOFOCNHBUILMV-AVRDEDQJSA-N 1 0 352.478 3.075 50 0 FGAARO COc1ccc(-c2nc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)c(C)o2)c(OC)c1C ZINC000067675000 221269229 /nfs/dbraw/zinc/26/92/29/221269229.db2.gz QYTREXPZWRYZRS-CVEARBPZSA-N 1 0 371.481 3.302 50 0 FGAARO CC[N@@H+]1CC[C@H](C(=O)NCc2cccnc2Oc2ccc(F)cc2F)C1 ZINC000067676047 221269744 /nfs/dbraw/zinc/26/97/44/221269744.db2.gz PQXVCPQHIHEXFA-AWEZNQCLSA-N 1 0 361.392 3.110 50 0 FGAARO COCC[N@@H+]1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2cc(C)[nH]n2)C1 ZINC000067694682 221274169 /nfs/dbraw/zinc/27/41/69/221274169.db2.gz LAKXRHIJRSPPAT-QGZVFWFLSA-N 1 0 365.481 3.217 50 0 FGAARO Cc1nn(C[C@@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c(C)c1Cl ZINC000067804169 221287657 /nfs/dbraw/zinc/28/76/57/221287657.db2.gz ROSGGFQAIXEKNG-GFCCVEGCSA-N 1 0 364.877 3.029 50 0 FGAARO CCn1cc(C2=CC[N@H+](CCC(=O)NCc3ccc(C)cc3)CC2)cn1 ZINC000067805281 221287995 /nfs/dbraw/zinc/28/79/95/221287995.db2.gz JVEOHZMVAFVRDH-UHFFFAOYSA-N 1 0 352.482 3.007 50 0 FGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC000067833568 221291497 /nfs/dbraw/zinc/29/14/97/221291497.db2.gz XOTURVUIJKYYGX-UHFFFAOYSA-N 1 0 361.449 3.133 50 0 FGAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2c[nH]nc2-c2ccccc2)n1 ZINC000067872186 221298635 /nfs/dbraw/zinc/29/86/35/221298635.db2.gz ASTXCQSAUAKJSE-KRWDZBQOSA-N 1 0 362.481 3.279 50 0 FGAARO Cc1ccc2[nH]c(=O)c(C[N@@H+]3CCC[C@H](OCc4cccnc4)C3)cc2c1 ZINC000067894423 221301301 /nfs/dbraw/zinc/30/13/01/221301301.db2.gz KPKNFYNZXMOJHP-FQEVSTJZSA-N 1 0 363.461 3.413 50 0 FGAARO C[N@@H+]1CCC[C@H]1CNC(=O)CCSc1ccc(Br)cc1 ZINC000069350957 221324492 /nfs/dbraw/zinc/32/44/92/221324492.db2.gz XLIGHWZTQZGAHX-ZDUSSCGKSA-N 1 0 357.317 3.142 50 0 FGAARO CCCCc1noc(CNc2ccccc2C[NH+]2CCC(CO)CC2)n1 ZINC000070017263 221330660 /nfs/dbraw/zinc/33/06/60/221330660.db2.gz MYGIYFMHDJFXPS-UHFFFAOYSA-N 1 0 358.486 3.229 50 0 FGAARO NC(=O)CC[N@@H+]1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000071440204 221348877 /nfs/dbraw/zinc/34/88/77/221348877.db2.gz WHTLISDHOWTSSH-KRWDZBQOSA-N 1 0 352.434 3.249 50 0 FGAARO Cc1ocnc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071749713 221360692 /nfs/dbraw/zinc/36/06/92/221360692.db2.gz FHTJQHGPPCRSOF-GOSISDBHSA-N 1 0 359.445 3.495 50 0 FGAARO CCc1ncc(C[N@@H+]2CCC(=O)N(Cc3ccccc3)[C@@H](CC)C2)cn1 ZINC000071750618 221362470 /nfs/dbraw/zinc/36/24/70/221362470.db2.gz IEIXDDBAPQTCIK-IBGZPJMESA-N 1 0 352.482 3.052 50 0 FGAARO CC(C)[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CCC(=O)N1CC1CC1 ZINC000071754807 221365004 /nfs/dbraw/zinc/36/50/04/221365004.db2.gz FFDPIAZOUNNPLA-NRFANRHFSA-N 1 0 366.509 3.341 50 0 FGAARO CCc1cnc(C)nc1N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C ZINC000091779385 132203683 /nfs/dbraw/zinc/20/36/83/132203683.db2.gz OYKLYKOADLQNOK-UHFFFAOYSA-N 1 0 368.529 3.080 50 0 FGAARO Cc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)cc[nH+]1 ZINC000091951216 132204972 /nfs/dbraw/zinc/20/49/72/132204972.db2.gz ACUPJRRKKGWRAZ-OAQYLSRUSA-N 1 0 350.466 3.194 50 0 FGAARO FC(F)(F)c1cnc(N2CCC([NH2+]CCc3c[nH]cn3)CC2)c(Cl)c1 ZINC000095368446 132208297 /nfs/dbraw/zinc/20/82/97/132208297.db2.gz JWKXLYTUHXZIRO-UHFFFAOYSA-N 1 0 373.810 3.278 50 0 FGAARO CSc1nccc(N2CCC([NH2+][C@H](Cn3ccnc3)C(C)(C)C)CC2)n1 ZINC000095383435 132209749 /nfs/dbraw/zinc/20/97/49/132209749.db2.gz DJRDCSHYQYGQJR-MRXNPFEDSA-N 1 0 374.558 3.068 50 0 FGAARO CCCc1cncnc1N1CCC([NH2+]C[C@@H]2OCCc3ccccc32)CC1 ZINC000095506601 132212705 /nfs/dbraw/zinc/21/27/05/132212705.db2.gz LQUHFDXFCYUTOT-NRFANRHFSA-N 1 0 366.509 3.302 50 0 FGAARO Cc1nn(C)c(C)c1C[N@@H+](C)C1CCN(c2cc(C(C)C)nc(C)n2)CC1 ZINC000095519824 132214062 /nfs/dbraw/zinc/21/40/62/132214062.db2.gz UJMRWJBYMQHIRC-UHFFFAOYSA-N 1 0 370.545 3.360 50 0 FGAARO Cc1cc2c(ncnc2N2CCC([NH2+][C@@H](C)c3ccncn3)CC2)s1 ZINC000095530712 132215005 /nfs/dbraw/zinc/21/50/05/132215005.db2.gz ANBQOJQPWFIQSD-ZDUSSCGKSA-N 1 0 354.483 3.109 50 0 FGAARO CC(C)n1ccnc1C[NH2+]C1CCN(c2ncnc3ccsc32)CC1 ZINC000096179870 132221781 /nfs/dbraw/zinc/22/17/81/132221781.db2.gz KDYVJQIJEBYKLQ-UHFFFAOYSA-N 1 0 356.499 3.227 50 0 FGAARO CCCc1nc2sc3c(ncnc3N3CC[NH2+]CC3)c2c2c1CCC2 ZINC000002414495 132383411 /nfs/dbraw/zinc/38/34/11/132383411.db2.gz ZCBYYQAMXUXWKQ-UHFFFAOYSA-N 1 0 353.495 3.090 50 0 FGAARO CCOc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000002939538 132384404 /nfs/dbraw/zinc/38/44/04/132384404.db2.gz BZQNGDFWFBIFAC-UHFFFAOYSA-N 1 0 371.456 3.375 50 0 FGAARO CCOC(=O)c1cccc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000033128920 136117476 /nfs/dbraw/zinc/11/74/76/136117476.db2.gz RTGYGOJWBSWTCS-UHFFFAOYSA-N 1 0 353.422 3.113 50 0 FGAARO COc1ccccc1C1(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000070928847 136138569 /nfs/dbraw/zinc/13/85/69/136138569.db2.gz GAFMWNRRPVWZLZ-UHFFFAOYSA-N 1 0 365.477 3.155 50 0 FGAARO c1ccc2c(c1)CC[C@H]2Nc1nc(-c2cccnc2)nc2c1CC[NH2+]CC2 ZINC000072454163 221536985 /nfs/dbraw/zinc/53/69/85/221536985.db2.gz SEBJLLYKQMGJFY-LJQANCHMSA-N 1 0 357.461 3.326 50 0 FGAARO c1ccc(-c2ccnc(CC[NH2+][C@H]3CCOC4(CCOCC4)C3)n2)cc1 ZINC000077452110 221627987 /nfs/dbraw/zinc/62/79/87/221627987.db2.gz IXMJVCDQNMAKSJ-SFHVURJKSA-N 1 0 353.466 3.004 50 0 FGAARO OCC1(C[NH2+]C2CCN(c3nnc(-c4ccccc4)s3)CC2)CCCC1 ZINC000096132698 222037801 /nfs/dbraw/zinc/03/78/01/222037801.db2.gz ICBDVXJYWLBYRM-UHFFFAOYSA-N 1 0 372.538 3.316 50 0 FGAARO Cc1ccccc1-n1nc(CC2CC[NH+](C)CC2)nc1-c1ccc(CO)o1 ZINC000096132391 222038581 /nfs/dbraw/zinc/03/85/81/222038581.db2.gz SZYUAURWUCPECE-UHFFFAOYSA-N 1 0 366.465 3.212 50 0 FGAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)c1cc(C3CC3)n[nH]1)CC2 ZINC000096138723 222043144 /nfs/dbraw/zinc/04/31/44/222043144.db2.gz STJYRJLWFJXKPT-SFHVURJKSA-N 1 0 364.493 3.381 50 0 FGAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1c[nH]nc1-c1ccccc1 ZINC000096139437 222043242 /nfs/dbraw/zinc/04/32/42/222043242.db2.gz FKCGNJVDMJTHNQ-IBGZPJMESA-N 1 0 360.461 3.296 50 0 FGAARO CC(C)OC(=O)c1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1Cl ZINC000096148238 222049669 /nfs/dbraw/zinc/04/96/69/222049669.db2.gz PRDCBOGLUPGUSY-CYBMUJFWSA-N 1 0 353.850 3.073 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(-c2ccccc2OC)c(C)nn1C ZINC000096161857 222062127 /nfs/dbraw/zinc/06/21/27/222062127.db2.gz CNFKTJGUGBDWIB-HNNXBMFYSA-N 1 0 371.485 3.010 50 0 FGAARO COCCN(C(=O)Nc1ccc(OC(F)F)cc1C)C1CC[NH+](C)CC1 ZINC000096166932 222066162 /nfs/dbraw/zinc/06/61/62/222066162.db2.gz UUXGGUXFYMPOMB-UHFFFAOYSA-N 1 0 371.428 3.171 50 0 FGAARO CCC[N@@H+]1CC[C@H](CNC(=O)/C=C\c2ccc(OC(F)(F)F)cc2)C1 ZINC000096310146 222113448 /nfs/dbraw/zinc/11/34/48/222113448.db2.gz JUKIYECQOBSPQP-GTBONMDNSA-N 1 0 356.388 3.447 50 0 FGAARO CC(=O)Nc1ccc(/C=C\C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000096943962 222145431 /nfs/dbraw/zinc/14/54/31/222145431.db2.gz QFQDVNGZNRIJDH-ACQXMXPUSA-N 1 0 351.450 3.077 50 0 FGAARO c1cncc(-c2ccnc(NC3CC[NH+](C4CCSCC4)CC3)n2)c1 ZINC000097155925 222164472 /nfs/dbraw/zinc/16/44/72/222164472.db2.gz QWZDREYKCAFWLC-UHFFFAOYSA-N 1 0 355.511 3.311 50 0 FGAARO Cn1cncc1CC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000097164418 222165733 /nfs/dbraw/zinc/16/57/33/222165733.db2.gz UXEODPMCPSKCQK-HNNXBMFYSA-N 1 0 350.260 3.229 50 0 FGAARO CCC(CC)[C@@H](C[NH2+]Cc1ccc(-n2ccnc2)cc1)N1CCOCC1 ZINC000097287639 222173136 /nfs/dbraw/zinc/17/31/36/222173136.db2.gz ZSNFOVWOHJJZHQ-OAQYLSRUSA-N 1 0 356.514 3.099 50 0 FGAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc2c(C)nn(C)c2s1)CC(C)C ZINC000097288429 222173778 /nfs/dbraw/zinc/17/37/78/222173778.db2.gz 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CC(C)Oc1ccccc1C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000055899409 494424103 /nfs/dbraw/zinc/42/41/03/494424103.db2.gz FJHAZYJLRGXLRB-HNNXBMFYSA-N 1 0 362.495 3.314 50 0 FGAARO C[NH+](C)C[C@@H]1CSCCCN1C(=O)COc1ccc2ccccc2c1 ZINC000090699930 494494862 /nfs/dbraw/zinc/49/48/62/494494862.db2.gz AICCGDZRYXWLAT-GOSISDBHSA-N 1 0 358.507 3.114 50 0 FGAARO CCc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091351269 494588603 /nfs/dbraw/zinc/58/86/03/494588603.db2.gz FFUJLHLWSUDBGE-DOTOQJQBSA-N 1 0 373.932 3.127 50 0 FGAARO O=C1CCC2(CC[NH+](CCc3ccccc3)CC2)CN1C[C@H]1CCCO1 ZINC000091433864 494597629 /nfs/dbraw/zinc/59/76/29/494597629.db2.gz RSNCMUZJDUMCNY-HXUWFJFHSA-N 1 0 356.510 3.113 50 0 FGAARO CC(=O)NCCCCCC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000046980409 494601856 /nfs/dbraw/zinc/60/18/56/494601856.db2.gz JTPPSGBJWNAZGN-SFHVURJKSA-N 1 0 373.541 3.231 50 0 FGAARO COC(=O)c1cccc(OC[C@@H](O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000024101396 494606908 /nfs/dbraw/zinc/60/69/08/494606908.db2.gz HWLVKFYSCDXZIR-IBGZPJMESA-N 1 0 373.424 3.017 50 0 FGAARO O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1F ZINC000047032943 494623237 /nfs/dbraw/zinc/62/32/37/494623237.db2.gz QXEOJPPLICUWMD-QGZVFWFLSA-N 1 0 366.433 3.080 50 0 FGAARO CC(C)c1cc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)on1 ZINC000091665000 494639401 /nfs/dbraw/zinc/63/94/01/494639401.db2.gz NYCZOHUMDQMAPM-UHFFFAOYSA-N 1 0 353.466 3.461 50 0 FGAARO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000091676792 494643235 /nfs/dbraw/zinc/64/32/35/494643235.db2.gz KYOZFLOQJGTDAJ-HNAYVOBHSA-N 1 0 370.884 3.240 50 0 FGAARO Cc1cc(N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)nc(N)[nH+]1 ZINC000091680639 494644252 /nfs/dbraw/zinc/64/42/52/494644252.db2.gz YMERZHVLMJMQNE-AWEZNQCLSA-N 1 0 356.380 3.321 50 0 FGAARO COc1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1OC(F)F ZINC000047415847 494701657 /nfs/dbraw/zinc/70/16/57/494701657.db2.gz ZMIXVNSRUVPTSX-KBPBESRZSA-N 1 0 370.440 3.394 50 0 FGAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000091858429 494708235 /nfs/dbraw/zinc/70/82/35/494708235.db2.gz GNSOZPIQZQTPDN-OAQYLSRUSA-N 1 0 352.482 3.469 50 0 FGAARO Cc1ccc(C)c(C[N@H+]2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)c1 ZINC000091943067 494729359 /nfs/dbraw/zinc/72/93/59/494729359.db2.gz MPUCRAYWIRSVAG-SFHVURJKSA-N 1 0 364.497 3.056 50 0 FGAARO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)o1 ZINC000091997260 494746848 /nfs/dbraw/zinc/74/68/48/494746848.db2.gz JTOPGFUKRGPEAI-OAQYLSRUSA-N 1 0 368.481 3.091 50 0 FGAARO CNc1snc(C)c1C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025540792 494755134 /nfs/dbraw/zinc/75/51/34/494755134.db2.gz HCYZHCDHJQYJSQ-KRWDZBQOSA-N 1 0 372.538 3.306 50 0 FGAARO O=C1CCC2(CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)CN1CCCO ZINC000092021193 494758929 /nfs/dbraw/zinc/75/89/29/494758929.db2.gz DIJNDYKHXFYLPR-UHFFFAOYSA-N 1 0 368.880 3.066 50 0 FGAARO Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)C2(C)CC[NH2+]CC2)c1C ZINC000092028374 494759955 /nfs/dbraw/zinc/75/99/55/494759955.db2.gz OVDSJYOULWZBNW-SFHVURJKSA-N 1 0 366.509 3.372 50 0 FGAARO CCC(=O)N1CCc2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000075437389 494762882 /nfs/dbraw/zinc/76/28/82/494762882.db2.gz QHUXBXWKYXTWTA-UHFFFAOYSA-N 1 0 369.509 3.076 50 0 FGAARO COc1cccc(OC)c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000092065634 494774583 /nfs/dbraw/zinc/77/45/83/494774583.db2.gz BAKWPEYJRCOFGM-PKOBYXMFSA-N 1 0 367.493 3.195 50 0 FGAARO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)[nH]n2)cc1 ZINC000025814326 494780591 /nfs/dbraw/zinc/78/05/91/494780591.db2.gz VHIVDRLMSKKNOH-GOSISDBHSA-N 1 0 354.479 3.479 50 0 FGAARO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc2c(c1)COC2 ZINC000092168744 494804571 /nfs/dbraw/zinc/80/45/71/494804571.db2.gz OLVXGBIGCOWFHK-SFHVURJKSA-N 1 0 365.477 3.403 50 0 FGAARO Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)s1 ZINC000095356164 494962100 /nfs/dbraw/zinc/96/21/00/494962100.db2.gz DQBQHKBZVUSMMF-QZTJIDSGSA-N 1 0 355.507 3.497 50 0 FGAARO O=C(NCc1cc(-c2ccccc2)n[nH]1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095359762 494963172 /nfs/dbraw/zinc/96/31/72/494963172.db2.gz QWHRDDGMYXCEHW-KRWDZBQOSA-N 1 0 364.449 3.198 50 0 FGAARO CC(C)(C)[C@H](Cn1ccnc1)NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000095364106 494964233 /nfs/dbraw/zinc/96/42/33/494964233.db2.gz FHYGHGIJQBTPJC-FQEVSTJZSA-N 1 0 368.525 3.294 50 0 FGAARO CCn1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1C ZINC000095364228 494964813 /nfs/dbraw/zinc/96/48/13/494964813.db2.gz GFJIYUSHWGEIIS-VQTJNVASSA-N 1 0 366.509 3.256 50 0 FGAARO CN(Cc1[nH]nc2c1CCCC2)C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000095370932 494966168 /nfs/dbraw/zinc/96/61/68/494966168.db2.gz BGAQZPXIHFFXAW-UHFFFAOYSA-N 1 0 366.509 3.127 50 0 FGAARO COc1ccc(-n2cc([C@@H](C)NC(=O)C3CC[NH+](C(C)C)CC3)cn2)cc1 ZINC000095372582 494967667 /nfs/dbraw/zinc/96/76/67/494967667.db2.gz SOVRPSGDJRBXOW-MRXNPFEDSA-N 1 0 370.497 3.179 50 0 FGAARO CN(Cc1cnc2ccccc2n1)C(=O)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095374776 494968475 /nfs/dbraw/zinc/96/84/75/494968475.db2.gz KPOCNQRPEUKFAF-INIZCTEOSA-N 1 0 352.482 3.243 50 0 FGAARO O=C(NCCc1noc(C2CCCC2)n1)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095384928 494972045 /nfs/dbraw/zinc/97/20/45/494972045.db2.gz HCHYIFUQAXWEPH-MRXNPFEDSA-N 1 0 360.502 3.041 50 0 FGAARO O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1CC[NH+]1CCCCC1 ZINC000095400251 494974317 /nfs/dbraw/zinc/97/43/17/494974317.db2.gz UCRGWWOJCOVZLX-SFHVURJKSA-N 1 0 351.441 3.244 50 0 FGAARO O=C(c1cnn2ccccc12)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095392798 494974336 /nfs/dbraw/zinc/97/43/36/494974336.db2.gz MBJCTXYLMKUPNO-RBUKOAKNSA-N 1 0 360.461 3.071 50 0 FGAARO C[C@@H]1CN(C(=O)CCc2ccc(Br)cc2F)[C@@H](C)C[N@@H+]1C ZINC000095454243 494975996 /nfs/dbraw/zinc/97/59/96/494975996.db2.gz VFVPSRJJPQILFI-NEPJUHHUSA-N 1 0 357.267 3.072 50 0 FGAARO COc1coc(CN2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)cc1=O ZINC000095507913 494983416 /nfs/dbraw/zinc/98/34/16/494983416.db2.gz AABBUNHDIJMMBW-SFHVURJKSA-N 1 0 368.477 3.102 50 0 FGAARO CN(C)c1nc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC000095515394 494984342 /nfs/dbraw/zinc/98/43/42/494984342.db2.gz WTMYQJFDKJPANO-UHFFFAOYSA-N 1 0 358.511 3.125 50 0 FGAARO Cc1nn(C)c2nc(N3CCC([N@@H+]4CCc5ccccc5C4)CC3)sc12 ZINC000095518723 494985778 /nfs/dbraw/zinc/98/57/78/494985778.db2.gz FAHJQNUXDQFFSS-UHFFFAOYSA-N 1 0 367.522 3.365 50 0 FGAARO Cc1ccccc1CC(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095523429 494986066 /nfs/dbraw/zinc/98/60/66/494986066.db2.gz MZTZNFMZRZGLEO-HXUWFJFHSA-N 1 0 368.525 3.092 50 0 FGAARO CCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)o1 ZINC000095521201 494986685 /nfs/dbraw/zinc/98/66/85/494986685.db2.gz OZRUGHDHFWRKGU-GOEBONIOSA-N 1 0 359.495 3.312 50 0 FGAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(Cc1coc(-c3ccccc3)n1)CC2 ZINC000095522714 494986743 /nfs/dbraw/zinc/98/67/43/494986743.db2.gz CUGCFZKIWBHEOM-UHFFFAOYSA-N 1 0 363.465 3.044 50 0 FGAARO Cc1nnc(CN(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)[nH]1 ZINC000095526015 494987374 /nfs/dbraw/zinc/98/73/74/494987374.db2.gz FVVXRANKSXVPBK-UHFFFAOYSA-N 1 0 361.921 3.153 50 0 FGAARO CCc1nn(C)c(Cl)c1C[N@H+]1C[C@@H](c2ccc(C)cc2)[C@H](NC(C)=O)C1 ZINC000095525707 494987565 /nfs/dbraw/zinc/98/75/65/494987565.db2.gz AWIDWLBCAZLVLO-QFBILLFUSA-N 1 0 374.916 3.048 50 0 FGAARO Cc1nn(C)c2nc(N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)sc12 ZINC000095526380 494987642 /nfs/dbraw/zinc/98/76/42/494987642.db2.gz YIFRPAHVAFYIQP-INIZCTEOSA-N 1 0 355.511 3.297 50 0 FGAARO CSC(C)(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013580 494996298 /nfs/dbraw/zinc/99/62/98/494996298.db2.gz DJDYINHLPRGZKJ-RDJZCZTQSA-N 1 0 366.527 3.144 50 0 FGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCO[C@H](c2ccco2)C1 ZINC000128699332 495137159 /nfs/dbraw/zinc/13/71/59/495137159.db2.gz PRDAWHJNEZCSIW-APWZRJJASA-N 1 0 373.453 3.183 50 0 FGAARO Clc1cccc(-c2nc(CN3CC[C@H](C[NH+]4CCOCC4)C3)co2)c1 ZINC000129457007 495248102 /nfs/dbraw/zinc/24/81/02/495248102.db2.gz FNONJYPVHNRZPQ-OAHLLOKOSA-N 1 0 361.873 3.149 50 0 FGAARO COC(=O)CC1(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)CCCCC1 ZINC000170601629 495532251 /nfs/dbraw/zinc/53/22/51/495532251.db2.gz LAWRMLSSTFCTTC-UHFFFAOYSA-N 1 0 365.470 3.316 50 0 FGAARO COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000169681691 496716463 /nfs/dbraw/zinc/71/64/63/496716463.db2.gz INCWKRJJQQHGMQ-KNQAVFIVSA-N 1 0 371.477 3.116 50 0 FGAARO OCCCCC[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000247793966 496915534 /nfs/dbraw/zinc/91/55/34/496915534.db2.gz QDOGAKKHVLZZMR-UHFFFAOYSA-N 1 0 350.466 3.246 50 0 FGAARO COCCC[NH2+]Cc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1 ZINC000248119032 496956597 /nfs/dbraw/zinc/95/65/97/496956597.db2.gz UJAMSOVXDHRLKP-UHFFFAOYSA-N 1 0 350.466 3.428 50 0 FGAARO CC[C@@H](CO)[NH2+]Cc1nn(Cc2ccccc2C)nc1-c1ccccc1 ZINC000248138193 496961329 /nfs/dbraw/zinc/96/13/29/496961329.db2.gz DINSGIVCJGPGJH-IBGZPJMESA-N 1 0 350.466 3.162 50 0 FGAARO C[NH+](C)CC1(CO)CCN(C(=O)c2ccc(-c3ccccc3F)cc2)CC1 ZINC000215662217 496981700 /nfs/dbraw/zinc/98/17/00/496981700.db2.gz 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O=C(c1ccc(OC2CCN(Cc3ncc[nH]3)CC2)cc1)N1CCCCC1 ZINC000011935778 210101781 /nfs/dbraw/zinc/10/17/81/210101781.db2.gz IOOQCETUJBKAIM-UHFFFAOYSA-N 1 0 368.481 3.079 50 0 FGAARO Cc1nnc(SCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)o1 ZINC000299800514 210040408 /nfs/dbraw/zinc/04/04/08/210040408.db2.gz WQNGHKVAUXJKKG-KRWDZBQOSA-N 1 0 374.510 3.204 50 0 FGAARO CN(C)C(=O)c1cc2cc(NC(=O)NCC[NH+]3CCCCC3)ccc2s1 ZINC000299786450 210028789 /nfs/dbraw/zinc/02/87/89/210028789.db2.gz LRLOFQYTYXPUEX-UHFFFAOYSA-N 1 0 374.510 3.211 50 0 FGAARO Cc1ccc([C@@H](CNC(=O)CCC(=O)N(C)C2CCCCC2)[NH+](C)C)cc1 ZINC000299768335 210017504 /nfs/dbraw/zinc/01/75/04/210017504.db2.gz MHLAKNICYVCFNL-HXUWFJFHSA-N 1 0 373.541 3.285 50 0 FGAARO Cc1[nH]nc(C2CC2)c1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000299760725 210010364 /nfs/dbraw/zinc/01/03/64/210010364.db2.gz JMYQVMQANHVVDI-MRXNPFEDSA-N 1 0 352.482 3.156 50 0 FGAARO O=C(NCc1ccc(Cl)cc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225566451 222850455 /nfs/dbraw/zinc/85/04/55/222850455.db2.gz 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C[NH2+]C[C@H]1CCCN(C(=O)C[C@H](C)c2ccccc2Br)C1 ZINC000299738944 211810328 /nfs/dbraw/zinc/81/03/28/211810328.db2.gz ISCYYBYTBCMJLZ-UONOGXRCSA-N 1 0 353.304 3.401 50 0 FGAARO COc1ccc([C@H](C[NH2+][C@H]2CCc3ccccc3C2)N(C)C)cc1OC ZINC000038344815 211434799 /nfs/dbraw/zinc/43/47/99/211434799.db2.gz DUNQAXZELOEZIS-PMACEKPBSA-N 1 0 354.494 3.454 50 0 FGAARO Cc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000025300050 211427819 /nfs/dbraw/zinc/42/78/19/211427819.db2.gz XIIGIEAQWCDFHH-HXUWFJFHSA-N 1 0 368.477 3.085 50 0 FGAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2nnc(-c3cccs3)s2)C1 ZINC000023478495 211388830 /nfs/dbraw/zinc/38/88/30/211388830.db2.gz NIAVIPJCQQPEDK-LLVKDONJSA-N 1 0 363.512 3.357 50 0 FGAARO CN1CC[NH+](CC[C@H]2CCCCN2C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000022935608 211370330 /nfs/dbraw/zinc/37/03/30/211370330.db2.gz HHVHVGYARCDIOQ-GOSISDBHSA-N 1 0 364.921 3.364 50 0 FGAARO CC(C)(C)C[N@@H+]1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@@H]1CCO ZINC000022913957 211368195 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CC(=O)c1ccc(N2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)nc1 ZINC000020540112 211285753 /nfs/dbraw/zinc/28/57/53/211285753.db2.gz YFMWKNPUJWBZFF-NRFANRHFSA-N 1 0 364.493 3.418 50 0 FGAARO O=c1cc(C[NH+]2CCC(n3cc(-c4ccc(F)cc4)nn3)CC2)cc[nH]1 ZINC000019740945 211250336 /nfs/dbraw/zinc/25/03/36/211250336.db2.gz KWTATAVPAMMQCR-UHFFFAOYSA-N 1 0 353.401 3.022 50 0 FGAARO Cc1nc(CC(C)C)cc(-c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)n1 ZINC000019636860 211242564 /nfs/dbraw/zinc/24/25/64/211242564.db2.gz BKSYFBVIELSRPA-UHFFFAOYSA-N 1 0 364.453 3.050 50 0 FGAARO Cc1ncc2c(c1-c1noc(CCCc3ccc(F)cc3)n1)CC[NH2+]C2 ZINC000019148735 211203770 /nfs/dbraw/zinc/20/37/70/211203770.db2.gz ASBUQSTWQPVRTL-UHFFFAOYSA-N 1 0 352.413 3.400 50 0 FGAARO COc1ccc(CC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000017911521 211189097 /nfs/dbraw/zinc/18/90/97/211189097.db2.gz DJFZCSIKSYNZLI-NRFANRHFSA-N 1 0 368.477 3.200 50 0 FGAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(F)cc3)C2=O)cc1 ZINC000018136631 211192201 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O=C1C[C@@H]([NH2+]C2CCSCC2)CN1Cc1ccccc1C(F)(F)F ZINC000015068047 211117144 /nfs/dbraw/zinc/11/71/44/211117144.db2.gz GIMDVBFXYWGSEI-CQSZACIVSA-N 1 0 358.429 3.292 50 0 FGAARO Cc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 ZINC000015006229 211113643 /nfs/dbraw/zinc/11/36/43/211113643.db2.gz OIYJWCXAUKADMJ-IBGZPJMESA-N 1 0 367.497 3.050 50 0 FGAARO CSC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCC(C)C ZINC000014535497 211094607 /nfs/dbraw/zinc/09/46/07/211094607.db2.gz UGDVDQQKDBMOJT-MRXNPFEDSA-N 1 0 369.575 3.291 50 0 FGAARO CCCC[N@H+](C)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014538831 211093841 /nfs/dbraw/zinc/09/38/41/211093841.db2.gz ITCMBFBEEBKGAF-QGZVFWFLSA-N 1 0 360.546 3.364 50 0 FGAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](CC(C)(C)C)CC2)C1=O ZINC000014733593 211099172 /nfs/dbraw/zinc/09/91/72/211099172.db2.gz ABSUQIVZIAHXCX-UHFFFAOYSA-N 1 0 371.525 3.394 50 0 FGAARO COc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000013509851 211036844 /nfs/dbraw/zinc/03/68/44/211036844.db2.gz VFVJNRGPNASDHL-QFIPXVFZSA-N 1 0 367.469 3.354 50 0 FGAARO CCC(C)(C)[NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000013020523 211020462 /nfs/dbraw/zinc/02/04/62/211020462.db2.gz BSWBPNVBPRTUEX-ZDUSSCGKSA-N 1 0 357.376 3.071 50 0 FGAARO COc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063476 210814566 /nfs/dbraw/zinc/81/45/66/210814566.db2.gz AQTPTNMCBQQEAI-UHFFFAOYSA-N 1 0 356.441 3.363 50 0 FGAARO Cc1nn(-c2ccc(C)cc2C)nc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000008772233 210803946 /nfs/dbraw/zinc/80/39/46/210803946.db2.gz PFYYAVGHYRVYSN-UHFFFAOYSA-N 1 0 369.513 3.232 50 0 FGAARO CCn1c[n+](C[C@@H](O)COc2cccc(OC)c2)c2cc(C)c(C)cc21 ZINC000004137892 210511941 /nfs/dbraw/zinc/51/19/41/210511941.db2.gz DTCLVIDPHOPFQD-QGZVFWFLSA-N 1 0 355.458 3.014 50 0 FGAARO CC(C)N(C(=O)Cn1c2ccccc2nc1CCCO)c1ccccc1 ZINC000002286700 210388614 /nfs/dbraw/zinc/38/86/14/210388614.db2.gz DTJPEIWWABMFJI-UHFFFAOYSA-N 1 0 351.450 3.403 50 0 FGAARO O=S(=O)(N[C@H]1CCCC[C@H]1[NH2+]Cc1ccco1)c1ccc(Cl)cc1 ZINC000000921765 210289970 /nfs/dbraw/zinc/28/99/70/210289970.db2.gz HEUQRPLODPGAAR-SJORKVTESA-N 1 0 368.886 3.312 50 0 FGAARO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000021056625 220350183 /nfs/dbraw/zinc/35/01/83/220350183.db2.gz SPANJSMWURVACI-KBPBESRZSA-N 1 0 372.431 3.252 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000049580972 221026515 /nfs/dbraw/zinc/02/65/15/221026515.db2.gz RAUZOOIHLDGFLW-SFHVURJKSA-N 1 0 365.477 3.402 50 0 FGAARO CC(=O)Nc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccncc2)cc1 ZINC000055227897 221063014 /nfs/dbraw/zinc/06/30/14/221063014.db2.gz UHRKJBPLDJFTGU-UHFFFAOYSA-N 1 0 363.465 3.329 50 0 FGAARO CCN(Cc1ccc(OC)c(OC)c1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000058166278 221101390 /nfs/dbraw/zinc/10/13/90/221101390.db2.gz BSHUTRXVVAOAEF-FQEVSTJZSA-N 1 0 372.509 3.019 50 0 FGAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 ZINC000065363312 221202767 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CCN(C(=O)CC[N@H+]1CC=C(c2cnn(C)c2)CC1)c1ccccc1C ZINC000065470740 221224399 /nfs/dbraw/zinc/22/43/99/221224399.db2.gz JZPMSRVMQCKYDM-UHFFFAOYSA-N 1 0 352.482 3.261 50 0 FGAARO [NH3+]CCc1nc2ccccc2c(N[C@@H](Cn2cccn2)c2ccccc2)n1 ZINC000065506352 221227971 /nfs/dbraw/zinc/22/79/71/221227971.db2.gz JHWLOHDQCFAHJC-IBGZPJMESA-N 1 0 358.449 3.181 50 0 FGAARO COc1cc(Oc2nc3c(cc2C(N)=O)CCC3)ccc1C[NH+]1CCCC1 ZINC000067654552 221265955 /nfs/dbraw/zinc/26/59/55/221265955.db2.gz OXLMMYNXDFWXKN-UHFFFAOYSA-N 1 0 367.449 3.066 50 0 FGAARO Cc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000067654182 221266910 /nfs/dbraw/zinc/26/69/10/221266910.db2.gz IMRCHOCEISRHLG-NRFANRHFSA-N 1 0 354.473 3.412 50 0 FGAARO Cc1c(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cnn1C ZINC000067514202 221258488 /nfs/dbraw/zinc/25/84/88/221258488.db2.gz VFHRGGYEFZCHIP-NRFANRHFSA-N 1 0 374.479 3.495 50 0 FGAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1cccc(C(=O)Nc2ccnn2C)c1 ZINC000067649990 221267183 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NC(=O)CCn1cc(C[NH2+]Cc2cc(F)c(F)cc2F)c2ccccc21 ZINC000067872763 221297970 /nfs/dbraw/zinc/29/79/70/221297970.db2.gz GQKNZPBUEJIHJM-UHFFFAOYSA-N 1 0 361.367 3.224 50 0 FGAARO CCC[NH+]1CCC(CC(=O)N2Cc3cnc(-c4ccccc4)nc3C2)CC1 ZINC000067896009 221302720 /nfs/dbraw/zinc/30/27/20/221302720.db2.gz ZWNUHDNLILBXGS-UHFFFAOYSA-N 1 0 364.493 3.498 50 0 FGAARO C[N@H+]1CC=C(CN(Cc2ccc3c(c2)OCO3)C(=O)c2cccs2)CC1 ZINC000067934361 221306736 /nfs/dbraw/zinc/30/67/36/221306736.db2.gz OSCYPDOCRYIMOC-UHFFFAOYSA-N 1 0 370.474 3.381 50 0 FGAARO Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)C3CC[NH2+]CC3)CC2)c1 ZINC000067974521 221310954 /nfs/dbraw/zinc/31/09/54/221310954.db2.gz BJXYKQHYMMNXIM-UHFFFAOYSA-N 1 0 352.482 3.091 50 0 FGAARO Cc1ccc(F)c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071735759 221356788 /nfs/dbraw/zinc/35/67/88/221356788.db2.gz UAXSWCRXEQTLIW-QGZVFWFLSA-N 1 0 373.516 3.089 50 0 FGAARO CC(C)[C@H]1C[N@H+](CCCn2cccn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071749680 221360516 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C[NH+](C)[C@H]1CCN(c2ncc(Cl)cc2C(F)(F)F)C[C@H]1CCCO ZINC000091754565 132203561 /nfs/dbraw/zinc/20/35/61/132203561.db2.gz VZZMIWLHOCLJPJ-RISCZKNCSA-N 1 0 365.827 3.283 50 0 FGAARO CCCc1cncnc1N1CCC(N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000095505618 132212624 /nfs/dbraw/zinc/21/26/24/132212624.db2.gz MQCBLUHIASAXLT-UHFFFAOYSA-N 1 0 371.573 3.348 50 0 FGAARO CCCc1nc(C)cc(N2CCC([NH2+][C@H](C)Cc3cccnc3)CC2)n1 ZINC000095508309 132212877 /nfs/dbraw/zinc/21/28/77/132212877.db2.gz YNALJASMBVEMEE-MRXNPFEDSA-N 1 0 353.514 3.322 50 0 FGAARO Cc1cc2c(ncnc2N2CCC([NH2+][C@H](C)c3ccncn3)CC2)s1 ZINC000095530713 132215002 /nfs/dbraw/zinc/21/50/02/132215002.db2.gz ANBQOJQPWFIQSD-CYBMUJFWSA-N 1 0 354.483 3.109 50 0 FGAARO Oc1cccc(N2CCN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000244724576 132290835 /nfs/dbraw/zinc/29/08/35/132290835.db2.gz MWQVAYXYXBQISA-FQEVSTJZSA-N 1 0 351.494 3.036 50 0 FGAARO c1nn(-c2ccccc2)c2ncnc(N3CC[NH+](C4CCCCC4)CC3)c12 ZINC000000755126 132378250 /nfs/dbraw/zinc/37/82/50/132378250.db2.gz 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ZINC000023506402 136153145 /nfs/dbraw/zinc/15/31/45/136153145.db2.gz FBWBEBLBQLNHTF-UHFFFAOYSA-N 1 0 374.514 3.328 50 0 FGAARO Cc1ccc(OC2(C(=O)N[C@H]3CCc4ccccc43)CC[NH2+]CC2)cc1 ZINC000077407113 221619923 /nfs/dbraw/zinc/61/99/23/221619923.db2.gz XYIIXDWBEYTRDH-FQEVSTJZSA-N 1 0 350.462 3.300 50 0 FGAARO O=c1cc(C[NH2+]Cc2ccccc2Cn2cccn2)[nH]c2ccc(F)cc12 ZINC000091914849 221813105 /nfs/dbraw/zinc/81/31/05/221813105.db2.gz DPAQXOMNRITXLC-UHFFFAOYSA-N 1 0 362.408 3.202 50 0 FGAARO CCN1CC2(CC[NH+](Cc3[nH]cnc3C)CC2)C[C@@H](c2ccccc2)C1=O ZINC000096163095 222062865 /nfs/dbraw/zinc/06/28/65/222062865.db2.gz UOKGGJDBNQCHON-IBGZPJMESA-N 1 0 366.509 3.336 50 0 FGAARO C[N@@H+]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000097075850 222155560 /nfs/dbraw/zinc/15/55/60/222155560.db2.gz ONIQAGMLROGFFA-UHFFFAOYSA-N 1 0 365.315 3.425 50 0 FGAARO CCC[NH+]1CCC(NC(=O)c2cnn(Cc3ccccc3)c2CC)CC1 ZINC000097298377 222172635 /nfs/dbraw/zinc/17/26/35/222172635.db2.gz YQQGKJIJVCUXIN-UHFFFAOYSA-N 1 0 354.498 3.098 50 0 FGAARO COCC[N@@H+]1CCC[C@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000097347473 222176947 /nfs/dbraw/zinc/17/69/47/222176947.db2.gz YEQDISJCJKLNSY-HNNXBMFYSA-N 1 0 350.890 3.194 50 0 FGAARO O=C(C1CCCC1)N1CCC2(CC[NH+](Cc3ccccc3)CC2)[C@H](CO)C1 ZINC000097402309 222179599 /nfs/dbraw/zinc/17/95/99/222179599.db2.gz FGPSHJAEQZPOGV-NRFANRHFSA-N 1 0 370.537 3.300 50 0 FGAARO CO[C@@H]1CCCOC12CCN(C(=O)c1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000097475057 222183081 /nfs/dbraw/zinc/18/30/81/222183081.db2.gz OPXZUIQCWQLYEH-HXUWFJFHSA-N 1 0 372.509 3.083 50 0 FGAARO O=C(C1CCC1)N1CCC2(CC[NH+](Cc3ccccc3F)CC2)[C@@H](CO)C1 ZINC000097742973 222209401 /nfs/dbraw/zinc/20/94/01/222209401.db2.gz PTFZUGOLKGPPND-LJQANCHMSA-N 1 0 374.500 3.049 50 0 FGAARO O=C(CC1=CSC2=NCCN12)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000102201472 222292115 /nfs/dbraw/zinc/29/21/15/222292115.db2.gz ASEJMUYXOFUZCK-UHFFFAOYSA-N 1 0 359.470 3.257 50 0 FGAARO O=C([C@H]1[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21)N1CCOc2ccc(Cl)cc2C1 ZINC000102846129 222310831 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CCCOc1ccc(N2C(=O)C[C@@H]([NH2+][C@@H](C)Cc3ccccc3)C2=O)cc1 ZINC000019771974 263376242 /nfs/dbraw/zinc/37/62/42/263376242.db2.gz UCQGLPIPPACENZ-OXJNMPFZSA-N 1 0 366.461 3.328 50 0 FGAARO C[NH+](C)[C@@H]1CCCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000426497074 263607831 /nfs/dbraw/zinc/60/78/31/263607831.db2.gz BYSBHJSDDZBXEM-MRXNPFEDSA-N 1 0 357.420 3.374 50 0 FGAARO COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)CC3 ZINC000002129579 493801294 /nfs/dbraw/zinc/80/12/94/493801294.db2.gz BHWBAGYYZDYIQQ-GASCZTMLSA-N 1 0 355.482 3.039 50 0 FGAARO COc1ccc(CCC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC000048267616 493809090 /nfs/dbraw/zinc/80/90/90/493809090.db2.gz ANHISQYPLWHWQO-IYBDPMFKSA-N 1 0 350.478 3.251 50 0 FGAARO O[C@@H](C[NH2+]CCOc1ccccc1F)COc1ccc2ccccc2c1 ZINC000002624386 493811994 /nfs/dbraw/zinc/81/19/94/493811994.db2.gz WVPYLBINBGLABF-SFHVURJKSA-N 1 0 355.409 3.387 50 0 FGAARO CC[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2cccc(OC)c2OC(F)F)C1 ZINC000058018291 493821700 /nfs/dbraw/zinc/82/17/00/493821700.db2.gz JIYDDWNTJNCQLQ-ATWMFIQVSA-N 1 0 368.424 3.158 50 0 FGAARO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000029177490 493823616 /nfs/dbraw/zinc/82/36/16/493823616.db2.gz AFAPHLAOHWZRIP-IBGZPJMESA-N 1 0 362.429 3.360 50 0 FGAARO CC(C)N(C(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C)C(C)C ZINC000058182347 493831072 /nfs/dbraw/zinc/83/10/72/493831072.db2.gz QJNRCLHULPRNRO-SJORKVTESA-N 1 0 369.550 3.400 50 0 FGAARO CC[N@H+](C)Cc1cccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c1 ZINC000058201457 493833004 /nfs/dbraw/zinc/83/30/04/493833004.db2.gz GVMQZMORKNWWKA-UHFFFAOYSA-N 1 0 353.466 3.224 50 0 FGAARO CC[C@H](CNC(=O)c1ccc2c(c1)OCCO2)[N@@H+]1CCc2ccccc2C1 ZINC000029909683 493866511 /nfs/dbraw/zinc/86/65/11/493866511.db2.gz KXMPFSUIMYRDLL-LJQANCHMSA-N 1 0 366.461 3.025 50 0 FGAARO O=C(CSc1ccccn1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004624080 493884874 /nfs/dbraw/zinc/88/48/74/493884874.db2.gz QXLSMXFGVGAGFG-UHFFFAOYSA-N 1 0 371.550 3.287 50 0 FGAARO CCc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3Cl)C2=O)cc1 ZINC000004651471 493885817 /nfs/dbraw/zinc/88/58/17/493885817.db2.gz QXTGZVLQHFOHPH-GOSISDBHSA-N 1 0 356.853 3.367 50 0 FGAARO Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cnn1-c1ccc(F)cc1 ZINC000030617503 493900790 /nfs/dbraw/zinc/90/07/90/493900790.db2.gz HLIWMRFGYPDJHT-UHFFFAOYSA-N 1 0 358.461 3.359 50 0 FGAARO Cc1cc(C)cc(N2C(=O)C[C@@H]([C@H]3CCCC=C3[NH+]3CCOCC3)C2=O)c1 ZINC000005015811 493907924 /nfs/dbraw/zinc/90/79/24/493907924.db2.gz UPKLZBBNBYDFRN-MOPGFXCFSA-N 1 0 368.477 3.199 50 0 FGAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1 ZINC000030900285 493912375 /nfs/dbraw/zinc/91/23/75/493912375.db2.gz FPICFOFZKNXESJ-UHFFFAOYSA-N 1 0 363.465 3.370 50 0 FGAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000030908711 493913484 /nfs/dbraw/zinc/91/34/84/493913484.db2.gz LGFAAKGNUJZZQT-CYBMUJFWSA-N 1 0 364.243 3.079 50 0 FGAARO [NH3+]CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000005775926 493942783 /nfs/dbraw/zinc/94/27/83/493942783.db2.gz HPFKPNQBOQMLDS-UHFFFAOYSA-N 1 0 357.504 3.377 50 0 FGAARO CCc1cccc(OC[C@@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000005866332 493944723 /nfs/dbraw/zinc/94/47/23/493944723.db2.gz CWSHNNRZSDARTC-QFIPXVFZSA-N 1 0 368.521 3.243 50 0 FGAARO CC[C@@](COC(=O)c1cc(OC)c(OC)c(OC)c1)([NH2+]C)c1ccccc1 ZINC000005954770 493947774 /nfs/dbraw/zinc/94/77/74/493947774.db2.gz ZFPDLGDYDUPYEZ-NRFANRHFSA-N 1 0 373.449 3.394 50 0 in-vitro FGAARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(-c4ccccc4O)nc3c12 ZINC000006670125 493974205 /nfs/dbraw/zinc/97/42/05/493974205.db2.gz CATAZRVOJDBYPN-UHFFFAOYSA-N 1 0 364.453 3.020 50 0 FGAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(F)c(Cl)c3)C2)CN1CCCO ZINC000082096412 493978489 /nfs/dbraw/zinc/97/84/89/493978489.db2.gz JRFBLDMXDJSAMG-LJQANCHMSA-N 1 0 368.880 3.066 50 0 FGAARO CC(=O)Nc1ccc(CN2C[C@@H]3CC[N@H+](CCc4ccccc4)[C@@H]3C2)cc1 ZINC000082097019 493978568 /nfs/dbraw/zinc/97/85/68/493978568.db2.gz ZMHNCQLHXMPLNO-JTHBVZDNSA-N 1 0 363.505 3.394 50 0 FGAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C1(c2ccc(F)cc2)CC1 ZINC000032401431 493985578 /nfs/dbraw/zinc/98/55/78/493985578.db2.gz MWXWVKKZNVNOIX-UHFFFAOYSA-N 1 0 352.453 3.422 50 0 FGAARO COc1ccccc1COC[C@@H](O)C[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000006936532 493988751 /nfs/dbraw/zinc/98/87/51/493988751.db2.gz JEPGONFKHACXEV-BUMILGAPSA-N 1 0 359.510 3.379 50 0 FGAARO Cc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(C)c1OC(F)F ZINC000007127879 494002524 /nfs/dbraw/zinc/00/25/24/494002524.db2.gz CBRXSSDWUIGZEF-OAHLLOKOSA-N 1 0 357.364 3.351 50 0 FGAARO Cc1cccc(N2CC[NH+](CCCNC(=O)Cc3ccccc3C)CC2)c1 ZINC000032824792 494019817 /nfs/dbraw/zinc/01/98/17/494019817.db2.gz LDIOMKXVMPUGHK-UHFFFAOYSA-N 1 0 365.521 3.174 50 0 FGAARO NC(=O)[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000032903035 494025645 /nfs/dbraw/zinc/02/56/45/494025645.db2.gz VVCUYJQPAOWMGN-LJQANCHMSA-N 1 0 357.885 3.121 50 0 FGAARO CC1CC[NH+](CC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000032951836 494031843 /nfs/dbraw/zinc/03/18/43/494031843.db2.gz RPWMHOYFBLYBMB-UHFFFAOYSA-N 1 0 370.946 3.473 50 0 FGAARO O=C(c1ccc2nonc2c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077285351 494048921 /nfs/dbraw/zinc/04/89/21/494048921.db2.gz RRXLPKNTMQJHQJ-UHFFFAOYSA-N 1 0 364.449 3.004 50 0 FGAARO COc1ccc2[nH]c(=O)c(C[NH+]3CCC(CCn4cccn4)CC3)cc2c1 ZINC000077299499 494051716 /nfs/dbraw/zinc/05/17/16/494051716.db2.gz SGLTYGLTAMSOBQ-UHFFFAOYSA-N 1 0 366.465 3.036 50 0 FGAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3cnc(N4CCCC4)nc3)C2)c1 ZINC000077340713 494061693 /nfs/dbraw/zinc/06/16/93/494061693.db2.gz ITFPJAXMYNOAEZ-QGZVFWFLSA-N 1 0 368.481 3.084 50 0 FGAARO Cc1nc2ccccc2n1CC[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000034798142 494068729 /nfs/dbraw/zinc/06/87/29/494068729.db2.gz PBVBLWGOTUUFQO-HXUWFJFHSA-N 1 0 366.440 3.093 50 0 FGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(=O)[nH]c2ccccc21 ZINC000008156643 494071962 /nfs/dbraw/zinc/07/19/62/494071962.db2.gz RXBMNVXOCZQDEE-QGZVFWFLSA-N 1 0 351.406 3.100 50 0 FGAARO COc1cc(C[N@H+](C[C@H](O)COc2ccccc2)C(C)C)cc(OC)c1 ZINC000036095060 494086148 /nfs/dbraw/zinc/08/61/48/494086148.db2.gz DUNJHCCQZPFGQL-SFHVURJKSA-N 1 0 359.466 3.354 50 0 FGAARO COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1OC ZINC000077452511 494086158 /nfs/dbraw/zinc/08/61/58/494086158.db2.gz PNCRMHAZJXBEPD-NRFANRHFSA-N 1 0 358.482 3.071 50 0 FGAARO CC(C)OC[C@H](O)C[N@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103464 494086687 /nfs/dbraw/zinc/08/66/87/494086687.db2.gz OTGQOKJLDDSKRP-MRXNPFEDSA-N 1 0 363.479 3.265 50 0 FGAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)c(Cl)c2)cc1 ZINC000077456489 494087094 /nfs/dbraw/zinc/08/70/94/494087094.db2.gz XWYQRRKDZHIDKT-SFHVURJKSA-N 1 0 373.884 3.457 50 0 FGAARO COc1cc(C[N@H+](C[C@@H](O)COc2ccccc2)C(C)C)cc(OC)c1 ZINC000036095061 494087201 /nfs/dbraw/zinc/08/72/01/494087201.db2.gz DUNJHCCQZPFGQL-GOSISDBHSA-N 1 0 359.466 3.354 50 0 FGAARO COCCN1C[C@@]2(CCC[N@H+](Cc3cc4ccccc4n3C)C2)CCC1=O ZINC000077487274 494094081 /nfs/dbraw/zinc/09/40/81/494094081.db2.gz ZTZNJCHTMWVAFJ-QFIPXVFZSA-N 1 0 369.509 3.029 50 0 FGAARO CCc1ccc(C[N@@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)cc1 ZINC000039404932 494120805 /nfs/dbraw/zinc/12/08/05/494120805.db2.gz NTUPEDYFZDSVLR-OAQYLSRUSA-N 1 0 356.485 3.457 50 0 FGAARO Cc1ccc(-n2cc(CN3CC[N@@H+](CCC(C)C)[C@H](CCO)C3)cn2)cc1 ZINC000039399331 494121176 /nfs/dbraw/zinc/12/11/76/494121176.db2.gz ADVFONCPKNYXHY-JOCHJYFZSA-N 1 0 370.541 3.095 50 0 FGAARO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000040018035 494126946 /nfs/dbraw/zinc/12/69/46/494126946.db2.gz HWTYRPOJCBENLV-OAQYLSRUSA-N 1 0 352.478 3.497 50 0 FGAARO Cc1cc(=O)n2nc(NCc3ccccc3C[NH+]3CCCCC3)sc2n1 ZINC000040049471 494128105 /nfs/dbraw/zinc/12/81/05/494128105.db2.gz BCAAZSQRCSSFRJ-UHFFFAOYSA-N 1 0 369.494 3.057 50 0 FGAARO CCOC(=O)c1sc2ncnc(NC3CC[NH+](C(C)C)CC3)c2c1C ZINC000009605150 494129241 /nfs/dbraw/zinc/12/92/41/494129241.db2.gz SXVJBIYPWANAEA-UHFFFAOYSA-N 1 0 362.499 3.461 50 0 FGAARO NC(=O)c1cccnc1N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000072132980 494131060 /nfs/dbraw/zinc/13/10/60/494131060.db2.gz LSMOGZBTIWKJSX-OAQYLSRUSA-N 1 0 356.514 3.053 50 0 FGAARO COc1cc(Cl)c(C)cc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000040099160 494132005 /nfs/dbraw/zinc/13/20/05/494132005.db2.gz WUPJNRRRKZXTRE-AWEZNQCLSA-N 1 0 369.893 3.135 50 0 FGAARO C[C@@H]([NH2+]CC12CC3CC(CC(C3)C1)C2)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009836240 494133324 /nfs/dbraw/zinc/13/33/24/494133324.db2.gz AOAQUUMUCDQYPA-XSXQVXRUSA-N 1 0 367.493 3.166 50 0 FGAARO O=C(NCCCC[NH+]1CCOCC1)Nc1ccc(OC2CCCC2)cc1 ZINC000040120620 494133567 /nfs/dbraw/zinc/13/35/67/494133567.db2.gz UWGUNHNYXJVLNI-UHFFFAOYSA-N 1 0 361.486 3.242 50 0 FGAARO COC(=O)c1coc(CN2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000072152251 494135392 /nfs/dbraw/zinc/13/53/92/494135392.db2.gz NOQJZUQOWNSALK-GOSISDBHSA-N 1 0 357.454 3.250 50 0 FGAARO CCOc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(Cl)c1OC ZINC000009915035 494136337 /nfs/dbraw/zinc/13/63/37/494136337.db2.gz CNEXPZCGSHWCNE-INIZCTEOSA-N 1 0 371.828 3.193 50 0 FGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1[nH]nc2c1CCc1ccccc1-2 ZINC000085878857 494139352 /nfs/dbraw/zinc/13/93/52/494139352.db2.gz VJJDWCRSDQHGAV-QFBILLFUSA-N 1 0 364.493 3.170 50 0 FGAARO CCc1nn(C)c(Cl)c1C[NH+]1CCC2(CC1)c1ccccc1C[C@H]2O ZINC000072162807 494139453 /nfs/dbraw/zinc/13/94/53/494139453.db2.gz QGOWFGUYSBRGGN-GOSISDBHSA-N 1 0 359.901 3.087 50 0 FGAARO c1c(CN2CCC[C@@H](c3nc4ccccc4s3)C2)nn2c1C[NH2+]CCC2 ZINC000072168192 494141982 /nfs/dbraw/zinc/14/19/82/494141982.db2.gz VWDZRUQKAIMBIE-OAHLLOKOSA-N 1 0 367.522 3.366 50 0 FGAARO Cc1ccc(NC(=O)COc2ccc(CNCCC[NH+](C)C)cc2)cc1 ZINC000040719956 494146399 /nfs/dbraw/zinc/14/63/99/494146399.db2.gz UIGFFZFSEPUQFA-UHFFFAOYSA-N 1 0 355.482 3.054 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2cccn2)cc1 ZINC000010280945 494148086 /nfs/dbraw/zinc/14/80/86/494148086.db2.gz PTEKCDYGUFGQJV-UHFFFAOYSA-N 1 0 374.488 3.326 50 0 FGAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCOCCO)o1 ZINC000010436382 494153016 /nfs/dbraw/zinc/15/30/16/494153016.db2.gz CGURNONXCHDIRA-UHFFFAOYSA-N 1 0 354.244 3.116 50 0 FGAARO CCOc1c(Br)cc(C[NH2+]C[C@H](C)O)cc1Br ZINC000010474598 494155339 /nfs/dbraw/zinc/15/53/39/494155339.db2.gz VNBNDJOVXYEWSN-QMMMGPOBSA-N 1 0 367.081 3.081 50 0 FGAARO CCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3coc4ccccc4c3=O)CC[C@H]21 ZINC000072412178 494167026 /nfs/dbraw/zinc/16/70/26/494167026.db2.gz JPQXWRSMXGKQBQ-QFBILLFUSA-N 1 0 368.477 3.406 50 0 FGAARO C[N@H+](CC(=O)Nc1cc2c(cc1Br)OCCO2)C1CCCC1 ZINC000053844093 494172203 /nfs/dbraw/zinc/17/22/03/494172203.db2.gz VZAAKQIUNUZAKB-UHFFFAOYSA-N 1 0 369.259 3.033 50 0 FGAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cnn3ccccc23)CC1 ZINC000072430173 494172317 /nfs/dbraw/zinc/17/23/17/494172317.db2.gz RMDNFASUEWWWMB-UHFFFAOYSA-N 1 0 362.477 3.113 50 0 FGAARO CN(C)C(=O)c1ccc(N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)nc1 ZINC000072454204 494177542 /nfs/dbraw/zinc/17/75/42/494177542.db2.gz LCFOJDZGKVAXFP-FQEVSTJZSA-N 1 0 366.509 3.293 50 0 FGAARO CCCn1cnnc1C1CC[NH+](Cc2ccc(OCC)c(OC)c2)CC1 ZINC000065287594 494187433 /nfs/dbraw/zinc/18/74/33/494187433.db2.gz BBTHNLBVUQSOAU-UHFFFAOYSA-N 1 0 358.486 3.475 50 0 FGAARO COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)c(OC)c1C ZINC000011873603 494194792 /nfs/dbraw/zinc/19/47/92/494194792.db2.gz KRASGCZLSXQPSA-MRXNPFEDSA-N 1 0 360.498 3.283 50 0 FGAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)COc2ccccc2)C1 ZINC000011933646 494196813 /nfs/dbraw/zinc/19/68/13/494196813.db2.gz LEXINTYEFZDLFS-OAQYLSRUSA-N 1 0 366.505 3.479 50 0 FGAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(C)=O)CC2)C1 ZINC000012027129 494200455 /nfs/dbraw/zinc/20/04/55/494200455.db2.gz FZUKLNLXEKYDHN-MRXNPFEDSA-N 1 0 360.523 3.314 50 0 FGAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000012198169 494212396 /nfs/dbraw/zinc/21/23/96/494212396.db2.gz WSUGDSJKKIZSTI-QGZVFWFLSA-N 1 0 358.482 3.375 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccc2c(c1)OCO2 ZINC000012196444 494212973 /nfs/dbraw/zinc/21/29/73/494212973.db2.gz KLMYGQBQDUZWHH-CQSZACIVSA-N 1 0 364.804 3.241 50 0 FGAARO CCCCN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000012218682 494214788 /nfs/dbraw/zinc/21/47/88/494214788.db2.gz PLUREPKONZWXGL-AWEZNQCLSA-N 1 0 352.862 3.340 50 0 FGAARO O=C(Nc1cccc(N2CCC([NH2+]Cc3cccnc3)CC2)c1)C1CC1 ZINC000012217938 494214845 /nfs/dbraw/zinc/21/48/45/494214845.db2.gz FWYDGONCUBZVRQ-UHFFFAOYSA-N 1 0 350.466 3.189 50 0 FGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3F)C2)cc1 ZINC000012223812 494215998 /nfs/dbraw/zinc/21/59/98/494215998.db2.gz OYAQRMRASBVRLQ-QFIPXVFZSA-N 1 0 371.452 3.430 50 0 FGAARO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)NCCC1=CCCCC1 ZINC000012284508 494218695 /nfs/dbraw/zinc/21/86/95/494218695.db2.gz UYMCKXRIHJKPOJ-LJQANCHMSA-N 1 0 369.509 3.344 50 0 FGAARO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)NCCC1=CCCCC1 ZINC000012284509 494219277 /nfs/dbraw/zinc/21/92/77/494219277.db2.gz UYMCKXRIHJKPOJ-IBGZPJMESA-N 1 0 369.509 3.344 50 0 FGAARO O=C(CCC(F)(F)F)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012308829 494222849 /nfs/dbraw/zinc/22/28/49/494222849.db2.gz DAVXGUVWOGDGMQ-QGZVFWFLSA-N 1 0 369.431 3.485 50 0 FGAARO CN(Cc1cccs1)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012327099 494224542 /nfs/dbraw/zinc/22/45/42/494224542.db2.gz BMUGEWHNHUJOAY-INIZCTEOSA-N 1 0 371.506 3.057 50 0 FGAARO C[NH+](C)[C@H]1CCN(c2ccc(-c3nc(CCc4ccccc4)no3)cn2)C1 ZINC000012429266 494231193 /nfs/dbraw/zinc/23/11/93/494231193.db2.gz XLCFWTOYAKLXKZ-SFHVURJKSA-N 1 0 363.465 3.057 50 0 FGAARO CN(Cc1cnn(C)c1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012592612 494245819 /nfs/dbraw/zinc/24/58/19/494245819.db2.gz VVPPKPLAXZDAMA-SFHVURJKSA-N 1 0 360.933 3.460 50 0 FGAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000012638191 494248393 /nfs/dbraw/zinc/24/83/93/494248393.db2.gz MRSZTXWELDGMQC-LJQANCHMSA-N 1 0 371.868 3.034 50 0 FGAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000089522394 494320762 /nfs/dbraw/zinc/32/07/62/494320762.db2.gz JGMBCUJRXHYNIH-KBXCAEBGSA-N 1 0 353.470 3.190 50 0 FGAARO Cc1cccc(-c2ncc(C[NH2+]CCc3nc(-c4ccccn4)no3)cn2)c1 ZINC000055413260 494340416 /nfs/dbraw/zinc/34/04/16/494340416.db2.gz XLLDNSNYFWDKLL-UHFFFAOYSA-N 1 0 372.432 3.229 50 0 FGAARO CN(C)C(=O)c1cccc(C(=O)OCCC[N@H+](C)Cc2ccccc2)c1 ZINC000079098328 494403613 /nfs/dbraw/zinc/40/36/13/494403613.db2.gz DNURKWAWSJSJIH-UHFFFAOYSA-N 1 0 354.450 3.067 50 0 FGAARO Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1C ZINC000018219576 494429922 /nfs/dbraw/zinc/42/99/22/494429922.db2.gz BLUNNCBRVBHUAZ-UHFFFAOYSA-N 1 0 374.488 3.298 50 0 FGAARO O=C(N[C@H]1COc2ccccc2C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000045785566 494462053 /nfs/dbraw/zinc/46/20/53/494462053.db2.gz GIMRBJQTNVTGRC-HXUWFJFHSA-N 1 0 350.462 3.406 50 0 FGAARO COC(=O)c1cnc(N2CC[NH+](Cc3ccccc3)CC2)c2ccccc12 ZINC000020604760 494478116 /nfs/dbraw/zinc/47/81/16/494478116.db2.gz OMTIFSYXFJFSOT-UHFFFAOYSA-N 1 0 361.445 3.344 50 0 FGAARO CSc1ncc(C[NH2+]CCCn2ccnc2)c(N(C)C2CCCCC2)n1 ZINC000022340007 494520583 /nfs/dbraw/zinc/52/05/83/494520583.db2.gz ATEPZSGWNGAKRU-UHFFFAOYSA-N 1 0 374.558 3.344 50 0 FGAARO Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023127637 494551830 /nfs/dbraw/zinc/55/18/30/494551830.db2.gz VLYBPKVKJAUTLA-UHFFFAOYSA-N 1 0 358.507 3.186 50 0 FGAARO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000023248965 494558314 /nfs/dbraw/zinc/55/83/14/494558314.db2.gz HPPWISXUPJCZTI-SJLPKXTDSA-N 1 0 371.481 3.432 50 0 FGAARO CCCC[C@@H](C)[NH2+]Cc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067541813 494561977 /nfs/dbraw/zinc/56/19/77/494561977.db2.gz ILLUJCODZZGQBH-GOSISDBHSA-N 1 0 353.514 3.472 50 0 FGAARO O=c1cc(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)[nH]c2ccc(F)cc12 ZINC000091412477 494594131 /nfs/dbraw/zinc/59/41/31/494594131.db2.gz CDLFBVHHFDPBJM-GOSISDBHSA-N 1 0 373.472 3.156 50 0 FGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cnccn3)CC2)C1 ZINC000091434564 494597664 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COc1cccc(-c2cc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)on2)c1 ZINC000095375953 494968725 /nfs/dbraw/zinc/96/87/25/494968725.db2.gz RKCDUWIGJKRRFM-MRXNPFEDSA-N 1 0 357.454 3.231 50 0 FGAARO CCN(CC)C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095375213 494968774 /nfs/dbraw/zinc/96/87/74/494968774.db2.gz VCIZJQXPLMTTCP-XUVXKRRUSA-N 1 0 357.498 3.019 50 0 FGAARO COc1ccc([C@@H]2CN(C(=O)c3cccs3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095380808 494970021 /nfs/dbraw/zinc/97/00/21/494970021.db2.gz ODBVYAFMBICFDA-DFQSSKMNSA-N 1 0 368.502 3.459 50 0 FGAARO O=C(c1ncc(F)cc1F)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095386926 494971858 /nfs/dbraw/zinc/97/18/58/494971858.db2.gz UUBGPKRBJHRWLN-NVXWUHKLSA-N 1 0 357.404 3.096 50 0 FGAARO Cc1cc(=O)c(O)c(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)n1C ZINC000095475311 494978670 /nfs/dbraw/zinc/97/86/70/494978670.db2.gz SBBIOFIMLJHCII-AWEZNQCLSA-N 1 0 369.490 3.389 50 0 FGAARO CC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)c1C 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Cc1cc(-c2nn(C)c(Cl)c2CN(C)Cc2cnc3ccccn23)no1 ZINC000215982755 496985668 /nfs/dbraw/zinc/98/56/68/496985668.db2.gz UNOJKLZQVMJABK-UHFFFAOYSA-N 1 0 370.844 3.317 50 0 FGAARO Fc1ccc2nc(CN3CCCO[C@@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000216208297 496987044 /nfs/dbraw/zinc/98/70/44/496987044.db2.gz RVQJYNIPJJSJDU-FQEVSTJZSA-N 1 0 357.473 3.451 50 0 FGAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)CCCc1nccn1C ZINC000216177056 496987305 /nfs/dbraw/zinc/98/73/05/496987305.db2.gz QNAHKYNTAIUDIB-UHFFFAOYSA-N 1 0 355.461 3.426 50 0 FGAARO CCc1nccn1CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000219942322 497012214 /nfs/dbraw/zinc/01/22/14/497012214.db2.gz BUIINAPRRVJVBM-LJQANCHMSA-N 1 0 354.498 3.007 50 0 FGAARO C[NH+](C)C1(CNC(=O)C2c3ccccc3-c3ccccc32)CCOCC1 ZINC000220424427 497015331 /nfs/dbraw/zinc/01/53/31/497015331.db2.gz FOWWIORMVMNHJT-UHFFFAOYSA-N 1 0 350.462 3.026 50 0 FGAARO O=C(N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1)C1CC[NH+](C2CCCC2)CC1 ZINC000222925338 497028722 /nfs/dbraw/zinc/02/87/22/497028722.db2.gz 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571313950 /nfs/dbraw/zinc/31/39/50/571313950.db2.gz KPZAWLXPJNZOMY-OAHLLOKOSA-N 1 0 373.476 3.232 50 0 FGAARO CCc1c(C)nc(C)nc1-c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000584887191 571313975 /nfs/dbraw/zinc/31/39/75/571313975.db2.gz DJCGIUOIEYQDFU-GOSISDBHSA-N 1 0 352.482 3.099 50 0 FGAARO Cc1ccc(Cc2ccccc2C(=O)NCCC[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000670452816 571352814 /nfs/dbraw/zinc/35/28/14/571352814.db2.gz VAXVGIZHQSHESJ-NRFANRHFSA-N 1 0 366.505 3.162 50 0 FGAARO C[NH2+][C@H](C)CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC000261672943 713712457 /nfs/dbraw/zinc/71/24/57/713712457.db2.gz GWUJDSBBXNSRMH-SNVBAGLBSA-N 1 0 367.280 3.006 50 0 FGAARO O=C(CCc1ccccc1Br)N1CCC[N@@H+](C2CCC2)CC1 ZINC000827939043 729437430 /nfs/dbraw/zinc/43/74/30/729437430.db2.gz CVHJNUSQWKUWLJ-UHFFFAOYSA-N 1 0 365.315 3.469 50 0 FGAARO Cc1cccc2c1[nH]c(C)c(CC[C@H](C)[NH2+]Cc1csc(N)n1)c2=O ZINC000952966112 762537378 /nfs/dbraw/zinc/53/73/78/762537378.db2.gz CAGBORSPWLKVBN-LBPRGKRZSA-N 1 0 356.495 3.295 50 0 FGAARO CCOc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OC(F)F ZINC000009217708 210249670 /nfs/dbraw/zinc/24/96/70/210249670.db2.gz FWVJDHZRZPBLME-OAHLLOKOSA-N 1 0 373.363 3.133 50 0 FGAARO COc1ccc(OC)c(/C=C\C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000096578763 210237884 /nfs/dbraw/zinc/23/78/84/210237884.db2.gz HGQSIMSBDPKEHJ-POGDKVGISA-N 1 0 372.440 3.275 50 0 FGAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CSCc2ccncc2)C1 ZINC000229625813 210177105 /nfs/dbraw/zinc/17/71/05/210177105.db2.gz KCGGXTFLMCOWCB-QFBILLFUSA-N 1 0 355.507 3.267 50 0 FGAARO COc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000011812836 210102216 /nfs/dbraw/zinc/10/22/16/210102216.db2.gz PXMVRKTUDVJOAO-NRFANRHFSA-N 1 0 370.472 3.112 50 0 FGAARO Cc1ccc(CCNC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)o1 ZINC000299797085 210038468 /nfs/dbraw/zinc/03/84/68/210038468.db2.gz MCHLWFRBNMHMSX-UHFFFAOYSA-N 1 0 357.454 3.425 50 0 FGAARO CC(C)c1nccn1CCCNC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000299799694 210040370 /nfs/dbraw/zinc/04/03/70/210040370.db2.gz YDVNVMFYPXNIMS-UHFFFAOYSA-N 1 0 368.525 3.392 50 0 FGAARO COc1ccc(C(C)(C)C)cc1NC(=O)N1CCOC[C@@H](C[NH+](C)C)C1 ZINC000299795685 210035439 /nfs/dbraw/zinc/03/54/39/210035439.db2.gz NBPMTSWTLKOKQY-HNNXBMFYSA-N 1 0 363.502 3.035 50 0 FGAARO COCCn1c2cc(F)ccc2cc(C[NH2+]Cc2ccccc2OC)c1=O ZINC000299786058 210029549 /nfs/dbraw/zinc/02/95/49/210029549.db2.gz LVPVHHRWLHQDEM-UHFFFAOYSA-N 1 0 370.424 3.085 50 0 FGAARO CC(C)(O)c1cncc(-c2cccc(C(=O)NCCC[NH+]3CCCC3)c2)c1 ZINC000299776983 210023337 /nfs/dbraw/zinc/02/33/37/210023337.db2.gz HGSZQKUTQZAKJU-UHFFFAOYSA-N 1 0 367.493 3.192 50 0 FGAARO Cc1nn(C)c(C)c1[C@H](C)NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000299777568 210023279 /nfs/dbraw/zinc/02/32/79/210023279.db2.gz OLLLKICKSTVSMM-HNNXBMFYSA-N 1 0 354.498 3.094 50 0 FGAARO CN1CC[C@H]([N@H+](C)CCC(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000299771426 210019507 /nfs/dbraw/zinc/01/95/07/210019507.db2.gz WVEOQDYERPIFJX-FQEVSTJZSA-N 1 0 357.542 3.031 50 0 FGAARO C[N@@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299764006 210013796 /nfs/dbraw/zinc/01/37/96/210013796.db2.gz IVCPPYFABULMSY-CQSZACIVSA-N 1 0 352.413 3.187 50 0 FGAARO O=C(Nc1ccccc1OCCc1ccccn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000299755034 210006128 /nfs/dbraw/zinc/00/61/28/210006128.db2.gz BWTFKDSQICDWPL-GOSISDBHSA-N 1 0 366.465 3.015 50 0 FGAARO COc1cccc(CN(CC[NH+](C)C)C(=O)NCCc2ccccc2)c1 ZINC000241173069 222918923 /nfs/dbraw/zinc/91/89/23/222918923.db2.gz KFTSAWWFJOOUAS-UHFFFAOYSA-N 1 0 355.482 3.011 50 0 FGAARO O=C(c1ccccc1)N1CCC([NH2+][C@H](c2cccs2)[C@H]2C[C@@H](O)C2)CC1 ZINC000244842343 222939263 /nfs/dbraw/zinc/93/92/63/222939263.db2.gz UOZPOPOMTXXGFC-HQRMLTQVSA-N 1 0 370.518 3.455 50 0 FGAARO Cc1nc(-c2ccc(CNC(=O)CC[NH+]3CCCCCCC3)cc2)no1 ZINC000063881931 212035786 /nfs/dbraw/zinc/03/57/86/212035786.db2.gz ZZHZYWKIWCOYCX-UHFFFAOYSA-N 1 0 356.470 3.317 50 0 FGAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000058424023 212011145 /nfs/dbraw/zinc/01/11/45/212011145.db2.gz XGQCDGDOQYJSGC-BFYDXBDKSA-N 1 0 354.450 3.270 50 0 FGAARO O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058426176 212011057 /nfs/dbraw/zinc/01/10/57/212011057.db2.gz JBSVBIQIKFMFGR-GFCCVEGCSA-N 1 0 363.310 3.242 50 0 FGAARO CCC[NH+]1CCC(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000053371078 211917830 /nfs/dbraw/zinc/91/78/30/211917830.db2.gz IKCUOOIUXKDXDJ-UHFFFAOYSA-N 1 0 366.889 3.034 50 0 FGAARO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)NCC(=O)Nc2c(C)cccc2C)c1 ZINC000014244345 220119444 /nfs/dbraw/zinc/11/94/44/220119444.db2.gz VFNSQZWUPARKEA-GOSISDBHSA-N 1 0 367.493 3.326 50 0 FGAARO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000014340155 220122207 /nfs/dbraw/zinc/12/22/07/220122207.db2.gz SPANJSMWURVACI-OKILXGFUSA-N 1 0 372.431 3.252 50 0 FGAARO Cc1nc(-c2ccccn2)sc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028069298 211479094 /nfs/dbraw/zinc/47/90/94/211479094.db2.gz TYUSINJUWFQLGT-UHFFFAOYSA-N 1 0 358.511 3.365 50 0 FGAARO COc1cccc(CN2CC[N@H+](Cc3ccccc3C)C[C@@H]2CCO)c1 ZINC000023373802 211387539 /nfs/dbraw/zinc/38/75/39/211387539.db2.gz ZRRRVGLMPKUJEU-NRFANRHFSA-N 1 0 354.494 3.072 50 0 FGAARO OCC[C@@H]1C[N@@H+](C2C3CC4CC(C3)CC2C4)CCN1Cc1ccccc1 ZINC000023359820 211383968 /nfs/dbraw/zinc/38/39/68/211383968.db2.gz LJHFNEUEHTWLEI-XJTMZFCOSA-N 1 0 354.538 3.380 50 0 FGAARO FC1(F)Oc2cccc(-c3n[nH]c4c3C[N@@H+]([C@H]3CCSC3)CC4)c2O1 ZINC000020912053 211300126 /nfs/dbraw/zinc/30/01/26/211300126.db2.gz XGPJTLMEOXUGEJ-JTQLQIEISA-N 1 0 365.405 3.262 50 0 FGAARO Nc1ncccc1C[NH+]1CCC(n2cc(-c3cc(F)cc(F)c3)nn2)CC1 ZINC000020858317 211297974 /nfs/dbraw/zinc/29/79/74/211297974.db2.gz GFZXAXRJGNEGCS-UHFFFAOYSA-N 1 0 370.407 3.038 50 0 FGAARO Cc1ccccc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH+](C)C)[C@@H]2O ZINC000020351766 211276908 /nfs/dbraw/zinc/27/69/08/211276908.db2.gz KOIDFLGFZIPUQY-RTWAWAEBSA-N 1 0 364.489 3.146 50 0 FGAARO CC(C)c1ccc([C@@H]2SCC(=O)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000019914003 211261138 /nfs/dbraw/zinc/26/11/38/211261138.db2.gz OQRGLBCZWURNRO-FQEVSTJZSA-N 1 0 361.555 3.022 50 0 FGAARO Cc1cc(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Br ZINC000019841372 211258210 /nfs/dbraw/zinc/25/82/10/211258210.db2.gz IIHAYSGNFIHOLH-BETUJISGSA-N 1 0 355.276 3.195 50 0 FGAARO COc1cc(OC)c(OC)cc1CN1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000019831730 211257023 /nfs/dbraw/zinc/25/70/23/211257023.db2.gz BNYJIUVRVYCGAM-WMZOPIPTSA-N 1 0 362.514 3.409 50 0 FGAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc1C ZINC000019225328 211206599 /nfs/dbraw/zinc/20/65/99/211206599.db2.gz ABSSXFFDKGDUKZ-QFIPXVFZSA-N 1 0 368.521 3.381 50 0 FGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Nc2cn(C)c(=O)c3ccccc23)C1 ZINC000015680474 211138154 /nfs/dbraw/zinc/13/81/54/211138154.db2.gz PMMLZSNEAQUKQH-IYBDPMFKSA-N 1 0 370.497 3.028 50 0 FGAARO O=C(c1ccncc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000015077179 211118829 /nfs/dbraw/zinc/11/88/29/211118829.db2.gz XZXXFROQGKZIFQ-OAQYLSRUSA-N 1 0 371.525 3.357 50 0 FGAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1cscn1 ZINC000014972147 211108999 /nfs/dbraw/zinc/10/89/99/211108999.db2.gz IACRZDLBDBYOBC-UHFFFAOYSA-N 1 0 361.486 3.309 50 0 FGAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCCC3)C2)cc1CO ZINC000014974216 211107932 /nfs/dbraw/zinc/10/79/32/211107932.db2.gz CDXLJDCRDMZHIP-SFHVURJKSA-N 1 0 374.525 3.192 50 0 FGAARO C/C=C(\C)C[NH+]1CCC([C@@]2(C)NC(=O)N(Cc3ccsc3)C2=O)CC1 ZINC000014880113 211104403 /nfs/dbraw/zinc/10/44/03/211104403.db2.gz WZVDCCPTJPIHHO-KNERYOEYSA-N 1 0 361.511 3.237 50 0 FGAARO CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000014539765 211093849 /nfs/dbraw/zinc/09/38/49/211093849.db2.gz ARJYDNMHJWZQOP-UHFFFAOYSA-N 1 0 363.461 3.115 50 0 FGAARO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]C1CCCC1)CC2 ZINC000014732773 211097866 /nfs/dbraw/zinc/09/78/66/211097866.db2.gz NPALFWRAHXHXQH-SFHVURJKSA-N 1 0 366.509 3.082 50 0 FGAARO CN(C(=O)Cc1ccsc1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012432053 210954806 /nfs/dbraw/zinc/95/48/06/210954806.db2.gz ATOGCQHPZJIBCK-LJQANCHMSA-N 1 0 354.519 3.381 50 0 FGAARO CC(=O)Nc1ccc(SCC(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000009501034 210838033 /nfs/dbraw/zinc/83/80/33/210838033.db2.gz RFLNTVKAANVCFD-UHFFFAOYSA-N 1 0 363.527 3.118 50 0 FGAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000005204707 210606291 /nfs/dbraw/zinc/60/62/91/210606291.db2.gz ZAELZTNCJNCGFM-HNNXBMFYSA-N 1 0 350.846 3.183 50 0 FGAARO [NH2+]=C1c2ccccc2CN1NC(=O)COc1ccc(Cl)cc1Cl ZINC000003246108 210459739 /nfs/dbraw/zinc/45/97/39/210459739.db2.gz IFGCOVJYGQTPCI-UHFFFAOYSA-N 1 0 350.205 3.245 50 0 FGAARO CC(C)Cc1nc2oc3c(ncnc3NCC[NH+](C)C)c2c2c1CCC2 ZINC000002218682 210385437 /nfs/dbraw/zinc/38/54/37/210385437.db2.gz MRWRNBWDTQIDNB-UHFFFAOYSA-N 1 0 353.470 3.432 50 0 FGAARO COc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1OC ZINC000000778792 210268820 /nfs/dbraw/zinc/26/88/20/210268820.db2.gz ORKZMDNJJAXCFW-INIZCTEOSA-N 1 0 360.498 3.174 50 0 FGAARO C[C@H](NC(=S)Nc1ccccc1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022027275 220374730 /nfs/dbraw/zinc/37/47/30/220374730.db2.gz XGLKPHNYUKLXQT-PXNSSMCTSA-N 1 0 368.550 3.350 50 0 FGAARO CC(C)c1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022030741 220374074 /nfs/dbraw/zinc/37/40/74/220374074.db2.gz PNYQHNSPBQKKBS-OAQYLSRUSA-N 1 0 368.521 3.368 50 0 FGAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccccc2Cl)c2ccsc2)CC1 ZINC000022765575 220397518 /nfs/dbraw/zinc/39/75/18/220397518.db2.gz OTSKXZQKFJYEAX-KRWDZBQOSA-N 1 0 363.914 3.120 50 0 FGAARO CCc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023127589 220413402 /nfs/dbraw/zinc/41/34/02/220413402.db2.gz BJQBESQXSVDJAR-UHFFFAOYSA-N 1 0 350.528 3.182 50 0 FGAARO CC(C)(C[N@@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1)N1CCOCC1 ZINC000065419465 221216166 /nfs/dbraw/zinc/21/61/66/221216166.db2.gz MUCJIFSFQYEQQM-HXUWFJFHSA-N 1 0 366.509 3.044 50 0 FGAARO C[NH+](C)C[C@@H](NC(=O)c1cc(COc2ccccc2)n[nH]1)c1ccccc1 ZINC000067473430 221255736 /nfs/dbraw/zinc/25/57/36/221255736.db2.gz KKUWVAGGUMRHEL-HXUWFJFHSA-N 1 0 364.449 3.021 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[C@@H]3c3ccccc3)cnn2c1 ZINC000067654427 221266884 /nfs/dbraw/zinc/26/68/84/221266884.db2.gz PSJAOKDYQHQJHO-LJQANCHMSA-N 1 0 363.465 3.158 50 0 FGAARO CCCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3c(C)nn(C)c3Cl)C2)C1 ZINC000067513632 221257117 /nfs/dbraw/zinc/25/71/17/221257117.db2.gz HWNWHNCVAHUPGX-GOSISDBHSA-N 1 0 368.909 3.216 50 0 FGAARO O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000067587554 221261243 /nfs/dbraw/zinc/26/12/43/221261243.db2.gz UKBJGBRIPXRZGT-OAHLLOKOSA-N 1 0 365.355 3.261 50 0 FGAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CC[C@@H](n3nc(C)cc3C)C2)c1 ZINC000067605482 221261943 /nfs/dbraw/zinc/26/19/43/221261943.db2.gz LKAVIQZKEUEUGG-GOSISDBHSA-N 1 0 351.454 3.141 50 0 FGAARO CN1CCN(Cc2ccc3cccc(Cl)c3n2)CC12CC[NH+](C)CC2 ZINC000067676013 221269191 /nfs/dbraw/zinc/26/91/91/221269191.db2.gz JZVPRPUNYQBIOQ-UHFFFAOYSA-N 1 0 358.917 3.100 50 0 FGAARO O=C(CC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)Nc1nccs1 ZINC000067692353 221272190 /nfs/dbraw/zinc/27/21/90/221272190.db2.gz WEFQKYMTRQXPCG-CYBMUJFWSA-N 1 0 355.467 3.228 50 0 FGAARO Cc1cc(=O)oc2cc(CN3CCC([NH+]4CCSCC4)CC3)ccc12 ZINC000067756189 221282146 /nfs/dbraw/zinc/28/21/46/221282146.db2.gz MRORGGMZZOOXAR-UHFFFAOYSA-N 1 0 358.507 3.115 50 0 FGAARO O=C([C@H]1CCC[NH2+]1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067787476 221285306 /nfs/dbraw/zinc/28/53/06/221285306.db2.gz RQPIGMRCUNLELM-QGZVFWFLSA-N 1 0 372.852 3.186 50 0 FGAARO C[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)[C@@H](c1ccccn1)C1CC1 ZINC000067868187 221296546 /nfs/dbraw/zinc/29/65/46/221296546.db2.gz VJXMPOSNSPDGMB-HXUWFJFHSA-N 1 0 363.417 3.235 50 0 FGAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO3)s1 ZINC000067868416 221296942 /nfs/dbraw/zinc/29/69/42/221296942.db2.gz JDYLAQSSYBQRPC-CQSZACIVSA-N 1 0 372.490 3.102 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1c[nH]nc1C1CCCCC1 ZINC000069386691 221325354 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FGAARO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(C)cc2)C[C@H]1CCO ZINC000104317033 222356241 /nfs/dbraw/zinc/35/62/41/222356241.db2.gz PBXNXIZECXZXTJ-JOCHJYFZSA-N 1 0 368.521 3.463 50 0 FGAARO CCC[NH+]1CCC(CCNC(=O)N2CC(c3nc4ccccc4[nH]3)C2)CC1 ZINC000426410737 263580200 /nfs/dbraw/zinc/58/02/00/263580200.db2.gz QZIYJNUSGMURSY-UHFFFAOYSA-N 1 0 369.513 3.184 50 0 FGAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1c1ccccn1 ZINC000426555691 263634846 /nfs/dbraw/zinc/63/48/46/263634846.db2.gz VMFSMMJGEXTKFM-QGZVFWFLSA-N 1 0 359.857 3.440 50 0 FGAARO CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028067599 493776118 /nfs/dbraw/zinc/77/61/18/493776118.db2.gz RKCZCEVNBKCENL-QUCCMNQESA-N 1 0 373.541 3.069 50 0 FGAARO C[NH+]1CCC(N(C[C@@H]2CCOC2)C(=O)c2cc(F)ccc2Cl)CC1 ZINC000075876382 493789338 /nfs/dbraw/zinc/78/93/38/493789338.db2.gz HXRIKPQHCLNZJC-ZDUSSCGKSA-N 1 0 354.853 3.052 50 0 FGAARO CC(=O)Nc1ccc(C)c(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000048270800 493810084 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C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)COc2ccc(F)cc2F)C1 ZINC000058210678 493833852 /nfs/dbraw/zinc/83/38/52/493833852.db2.gz JKBYJRHVQBYFRT-ZIAGYGMSSA-N 1 0 354.441 3.216 50 0 FGAARO COc1ccc(CCNC(=S)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000003347579 493840312 /nfs/dbraw/zinc/84/03/12/493840312.db2.gz GTRIWDVFTGUYEQ-IBGZPJMESA-N 1 0 357.523 3.005 50 0 FGAARO Cc1cc2oc(=O)cc(CSc3nc(N)cc(N)[nH+]3)c2cc1C(C)C ZINC000003368829 493840847 /nfs/dbraw/zinc/84/08/47/493840847.db2.gz WJMACFHBDBNLAX-UHFFFAOYSA-N 1 0 356.451 3.472 50 0 aggregator FGAARO Cc1cc(OC[C@H](O)C[NH2+]CCCn2ccnc2)c(C(C)C)cc1Cl ZINC000003418289 493843710 /nfs/dbraw/zinc/84/37/10/493843710.db2.gz QFXPJIVKFIFQME-MRXNPFEDSA-N 1 0 365.905 3.388 50 0 FGAARO COc1ccccc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC000029617207 493846578 /nfs/dbraw/zinc/84/65/78/493846578.db2.gz GEFCUMPGWMYDCF-UHFFFAOYSA-N 1 0 354.454 3.399 50 0 FGAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)C4CCN(C)CC4)[C@H]3C=C12 ZINC000004028541 493861111 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CCOC(=O)c1[nH]c(C)c(C(=O)NCCC[N@H+](C)C2CCCCC2)c1C ZINC000005135703 493915630 /nfs/dbraw/zinc/91/56/30/493915630.db2.gz KVVFAISWCLBNOL-UHFFFAOYSA-N 1 0 363.502 3.193 50 0 FGAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000005519659 493933150 /nfs/dbraw/zinc/93/31/50/493933150.db2.gz WYBGZMDVIQTODN-OLZOCXBDSA-N 1 0 373.453 3.022 50 0 FGAARO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000005526764 493934186 /nfs/dbraw/zinc/93/41/86/493934186.db2.gz VBADJXNDTCDGBR-UHFFFAOYSA-N 1 0 369.465 3.490 50 0 FGAARO COc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000031664268 493953848 /nfs/dbraw/zinc/95/38/48/493953848.db2.gz BNWZRFNUZGHOAQ-UHFFFAOYSA-N 1 0 353.466 3.290 50 0 FGAARO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000082167001 493981055 /nfs/dbraw/zinc/98/10/55/493981055.db2.gz LESZMLKPUSKVLF-RYUDHWBXSA-N 1 0 373.375 3.259 50 0 FGAARO CCOC(=O)c1ccc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000006877281 493984332 /nfs/dbraw/zinc/98/43/32/493984332.db2.gz XURSEEUETRHASV-UHFFFAOYSA-N 1 0 359.470 3.203 50 0 FGAARO CCc1nc2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc2nc1CC ZINC000006917912 493987178 /nfs/dbraw/zinc/98/71/78/493987178.db2.gz CBCGDWKXBNOMGU-HNNXBMFYSA-N 1 0 354.498 3.359 50 0 FGAARO CC[C@@H](CNC(=O)Cc1ccc(OC)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032445889 493990177 /nfs/dbraw/zinc/99/01/77/493990177.db2.gz CEZCCUWEHUKXLA-FQEVSTJZSA-N 1 0 352.478 3.191 50 0 FGAARO CC[C@H](CNC(=O)c1cc(OC)ccc1Br)[NH+]1CCCC1 ZINC000032653220 494003330 /nfs/dbraw/zinc/00/33/30/494003330.db2.gz QWVJNLCHIHVEPA-GFCCVEGCSA-N 1 0 355.276 3.062 50 0 FGAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+](C)Cc1sccc1C ZINC000032721087 494008111 /nfs/dbraw/zinc/00/81/11/494008111.db2.gz YEVBZPSWGHGWEY-MRXNPFEDSA-N 1 0 363.479 3.139 50 0 FGAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000032842954 494020849 /nfs/dbraw/zinc/02/08/49/494020849.db2.gz NSSIZCKZSXKMKL-DRDHIDPGSA-N 1 0 371.308 3.480 50 0 FGAARO CCN(C(=O)CCc1nc(C2=CC[N@H+](C)CC2)no1)c1ccccc1C ZINC000033069143 494040432 /nfs/dbraw/zinc/04/04/32/494040432.db2.gz JRIYIUKWPRIYLX-UHFFFAOYSA-N 1 0 354.454 3.083 50 0 FGAARO C[N@H+](CCNC(=O)c1[nH]nc2c1CCc1ccccc1-2)C1CCCCC1 ZINC000033265829 494054383 /nfs/dbraw/zinc/05/43/83/494054383.db2.gz AAGRYCPNMOEWCR-UHFFFAOYSA-N 1 0 352.482 3.170 50 0 FGAARO COc1cc(OC)cc(N2CC[C@H](C[NH2+]CC3(SC)CCC3)C2)c1 ZINC000568455268 505697559 /nfs/dbraw/zinc/69/75/59/505697559.db2.gz BRXUQYZBWCEECK-OAHLLOKOSA-N 1 0 350.528 3.405 50 0 FGAARO Cc1cc(C)c(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c(=O)[nH]1 ZINC000077391028 494074641 /nfs/dbraw/zinc/07/46/41/494074641.db2.gz DRUWWRPSFOTTIK-IBGZPJMESA-N 1 0 367.493 3.421 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)CC1 ZINC000008191759 494074958 /nfs/dbraw/zinc/07/49/58/494074958.db2.gz NADYXQZJLRABNV-UHFFFAOYSA-N 1 0 353.466 3.018 50 0 FGAARO O=C1CC[C@@]2(CCCN(CC[NH+]3CCCC3)C2)CN1CCc1ccccc1 ZINC000077406379 494076015 /nfs/dbraw/zinc/07/60/15/494076015.db2.gz CDNFDIRMBRMVOG-HSZRJFAPSA-N 1 0 369.553 3.030 50 0 FGAARO Cn1nc(C(=O)NCC[N@H+](C)C2CCCCC2)c2c1-c1ccsc1CC2 ZINC000035504943 494078659 /nfs/dbraw/zinc/07/86/59/494078659.db2.gz JBLKZUSDVYEURT-UHFFFAOYSA-N 1 0 372.538 3.242 50 0 FGAARO COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C2CC2)c1OC ZINC000036032137 494084395 /nfs/dbraw/zinc/08/43/95/494084395.db2.gz QEAYRVTTZZICIY-LJQANCHMSA-N 1 0 371.477 3.417 50 0 FGAARO COc1ccc([C@@H](CNC(=O)Cc2c(C)noc2C)[NH+]2CCCCC2)cc1 ZINC000008328858 494084580 /nfs/dbraw/zinc/08/45/80/494084580.db2.gz AVUNOMIVRAGHDD-HXUWFJFHSA-N 1 0 371.481 3.186 50 0 FGAARO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103557 494086128 /nfs/dbraw/zinc/08/61/28/494086128.db2.gz JGFDRGONJSRSDF-HXUWFJFHSA-N 1 0 371.477 3.451 50 0 FGAARO Cc1c[nH]c(C[N@H+]2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)c(C)c1=O ZINC000077458119 494087304 /nfs/dbraw/zinc/08/73/04/494087304.db2.gz LZGDXWIEVZZXQD-QFIPXVFZSA-N 1 0 373.541 3.242 50 0 FGAARO CCn1ncc(-c2cc(C(F)F)nc(NC3CC[NH+](C)CC3)n2)c1C ZINC000036614153 494092524 /nfs/dbraw/zinc/09/25/24/494092524.db2.gz YKJXHHOAVGIGGM-UHFFFAOYSA-N 1 0 350.417 3.112 50 0 FGAARO Cn1c(CN2CCCCC2)nnc1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000077554142 494113967 /nfs/dbraw/zinc/11/39/67/494113967.db2.gz HJQYSCUUXIUZLW-UHFFFAOYSA-N 1 0 371.504 3.320 50 0 FGAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(=O)c2ccccc2o1 ZINC000009156020 494115741 /nfs/dbraw/zinc/11/57/41/494115741.db2.gz XDWIWJIPQAWSQK-UHFFFAOYSA-N 1 0 362.429 3.319 50 0 FGAARO C[NH+](C)[C@@H](CNc1ncnc2c1cnn2-c1ccccc1)Cc1ccccc1 ZINC000009256030 494119208 /nfs/dbraw/zinc/11/92/08/494119208.db2.gz JXPUELXMJAEKOH-LJQANCHMSA-N 1 0 372.476 3.400 50 0 FGAARO Cc1nn(CC(C)C)c(C)c1CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000053391535 494124512 /nfs/dbraw/zinc/12/45/12/494124512.db2.gz QGBKZAJGNMTBSA-MRXNPFEDSA-N 1 0 362.562 3.325 50 0 FGAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000009515927 494127142 /nfs/dbraw/zinc/12/71/42/494127142.db2.gz BIGVWNVIRUGLSK-HZPDHXFCSA-N 1 0 355.482 3.262 50 0 FGAARO CN1c2ccccc2C2(CC[NH+](Cc3c[nH]c4cc(=O)ccc-4c3)CC2)C1=O ZINC000072123898 494128058 /nfs/dbraw/zinc/12/80/58/494128058.db2.gz ZHNCUNLMRXIIHV-UHFFFAOYSA-N 1 0 373.456 3.451 50 0 FGAARO Cc1[nH]c2c(c1C(=O)N1CCC[N@H+](CC3CC3)[C@H](C(C)C)C1)C(=O)CCC2 ZINC000072121020 494128140 /nfs/dbraw/zinc/12/81/40/494128140.db2.gz KCMFWWWVZDEYEC-SFHVURJKSA-N 1 0 371.525 3.425 50 0 FGAARO C[N@H+](CCCNC(=O)N1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC000040069012 494128631 /nfs/dbraw/zinc/12/86/31/494128631.db2.gz YHOLQJJXGUIVGC-UHFFFAOYSA-N 1 0 366.509 3.040 50 0 FGAARO CC(C)[C@@H](CNC(=O)c1cccc(C[S@](C)=O)c1)[NH+]1CCC(C)CC1 ZINC000040089271 494130489 /nfs/dbraw/zinc/13/04/89/494130489.db2.gz FFBWWPJUWMLVTG-KBMIEXCESA-N 1 0 364.555 3.051 50 0 FGAARO CCCCc1nnc(NC(=O)C2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000040090135 494130749 /nfs/dbraw/zinc/13/07/49/494130749.db2.gz ODGJFLMLDJUZFK-UHFFFAOYSA-N 1 0 359.499 3.126 50 0 FGAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)CCCc2cccs2)CC1 ZINC000040089780 494131150 /nfs/dbraw/zinc/13/11/50/494131150.db2.gz QVOSEFAJJKHVNJ-UHFFFAOYSA-N 1 0 371.550 3.135 50 0 FGAARO CCc1nn(C)c(Cl)c1CN1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000072133062 494131157 /nfs/dbraw/zinc/13/11/57/494131157.db2.gz TUIDXHBGWXADAB-UHFFFAOYSA-N 1 0 364.896 3.483 50 0 FGAARO CCn1c(C[NH+]2CCC(c3cc(=O)[nH]c(C)n3)CC2)nc2ccccc21 ZINC000072135507 494131995 /nfs/dbraw/zinc/13/19/95/494131995.db2.gz MFBKECJXMPOSPR-UHFFFAOYSA-N 1 0 351.454 3.240 50 0 FGAARO COCCc1noc([C@@H]2CCC[N@H+](Cc3cc4c(cc3OC)CCC4)C2)n1 ZINC000072137178 494132354 /nfs/dbraw/zinc/13/23/54/494132354.db2.gz BQEHKUYVEXPPCZ-QGZVFWFLSA-N 1 0 371.481 3.135 50 0 FGAARO O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CC[NH+](C2CCCCC2)CC1 ZINC000009728247 494132363 /nfs/dbraw/zinc/13/23/63/494132363.db2.gz BKPRAOXHWHDLMU-UHFFFAOYSA-N 1 0 364.493 3.266 50 0 FGAARO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)ccc1O ZINC000072148217 494134311 /nfs/dbraw/zinc/13/43/11/494134311.db2.gz 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CC(=O)Nc1ccsc1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000072174497 494144490 /nfs/dbraw/zinc/14/44/90/494144490.db2.gz LQPQERYECXHTCC-QGZVFWFLSA-N 1 0 371.506 3.443 50 0 FGAARO CCOc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OC(C)C ZINC000040719610 494145700 /nfs/dbraw/zinc/14/57/00/494145700.db2.gz ODKJAJKHGBHRCZ-UHFFFAOYSA-N 1 0 370.921 3.338 50 0 FGAARO COc1ccc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1OC ZINC000072286239 494147956 /nfs/dbraw/zinc/14/79/56/494147956.db2.gz NDDRPPIUZHFNFY-HNNXBMFYSA-N 1 0 352.475 3.343 50 0 FGAARO CCc1c(C)scc1C(=O)N1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000072410963 494166473 /nfs/dbraw/zinc/16/64/73/494166473.db2.gz GBCAUTZWEQRVKR-AWEZNQCLSA-N 1 0 350.528 3.192 50 0 FGAARO C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccc(-c2ccccc2)cc1 ZINC000077753232 494167427 /nfs/dbraw/zinc/16/74/27/494167427.db2.gz OJYSIPAKBHSIFB-KRWDZBQOSA-N 1 0 367.493 3.171 50 0 FGAARO CCCc1cc(C(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)cs1 ZINC000072432074 494174071 /nfs/dbraw/zinc/17/40/71/494174071.db2.gz 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ZINC000012152686 494209482 /nfs/dbraw/zinc/20/94/82/494209482.db2.gz PIFIUSVABCANEB-IBGZPJMESA-N 1 0 355.457 3.324 50 0 FGAARO COc1ccc(OCC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000054226329 494210224 /nfs/dbraw/zinc/21/02/24/494210224.db2.gz HGLNKRHPTFOUTI-WMZOPIPTSA-N 1 0 354.450 3.026 50 0 FGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3F)C2)cc1 ZINC000012223808 494215964 /nfs/dbraw/zinc/21/59/64/494215964.db2.gz OYAQRMRASBVRLQ-JOCHJYFZSA-N 1 0 371.452 3.430 50 0 FGAARO C[NH+](C)[C@@H]1CCN(c2ccc(-c3nc(CCc4ccccc4)no3)cn2)C1 ZINC000012429265 494231305 /nfs/dbraw/zinc/23/13/05/494231305.db2.gz XLCFWTOYAKLXKZ-GOSISDBHSA-N 1 0 363.465 3.057 50 0 FGAARO CCn1ncc(C[NH2+][C@@H]2CC(=O)N(Cc3cccc4ccccc43)C2)c1C ZINC000012458532 494234838 /nfs/dbraw/zinc/23/48/38/494234838.db2.gz WWUKRTILEDZJGR-HXUWFJFHSA-N 1 0 362.477 3.255 50 0 FGAARO O=C(/C=C/c1cnn(-c2ccccc2)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012552265 494241224 /nfs/dbraw/zinc/24/12/24/494241224.db2.gz 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ZINC000012847655 494264274 /nfs/dbraw/zinc/26/42/74/494264274.db2.gz XUDBEGLLWOUMSP-UHFFFAOYSA-N 1 0 364.493 3.149 50 0 FGAARO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000013042184 494277537 /nfs/dbraw/zinc/27/75/37/494277537.db2.gz SDAXFDVLLNOLON-HNNXBMFYSA-N 1 0 351.450 3.410 50 0 FGAARO c1ccc2oc(N3CCN(C[C@@H]4CCC[N@@H+]5CCCC[C@H]45)CC3)nc2c1 ZINC000055154237 494307139 /nfs/dbraw/zinc/30/71/39/494307139.db2.gz XLGXWVRFOZBZIJ-PKOBYXMFSA-N 1 0 354.498 3.214 50 0 FGAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000043859967 494325374 /nfs/dbraw/zinc/32/53/74/494325374.db2.gz KOUSYFATWKZYOT-OALUTQOASA-N 1 0 358.530 3.077 50 0 FGAARO CCOC(=O)c1c(C)oc2ncnc(N3CCC([NH+]4CCCCC4)CC3)c21 ZINC000015727226 494366090 /nfs/dbraw/zinc/36/60/90/494366090.db2.gz NEGGZMWDLDLGLU-UHFFFAOYSA-N 1 0 372.469 3.163 50 0 FGAARO COc1ccc(CCNC(=O)C2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000015855954 494370879 /nfs/dbraw/zinc/37/08/79/494370879.db2.gz AAKNZUQXMWXHEZ-UHFFFAOYSA-N 1 0 374.525 3.407 50 0 FGAARO C[NH+](C)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000017143563 494409526 /nfs/dbraw/zinc/40/95/26/494409526.db2.gz DLGRCNDWDMSUDW-MYGLTJDJSA-N 1 0 374.484 3.287 50 0 FGAARO Cc1cc(C)c(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000019901410 494462624 /nfs/dbraw/zinc/46/26/24/494462624.db2.gz AQDRJFLWZNWDBY-NRFANRHFSA-N 1 0 372.484 3.313 50 0 FGAARO COc1ccc(OC)c2c(N3CC[NH+](C)CC3)cc(C(F)(F)F)nc12 ZINC000020032925 494466376 /nfs/dbraw/zinc/46/63/76/494466376.db2.gz VGSICGDXYTZNMG-UHFFFAOYSA-N 1 0 355.360 3.023 50 0 FGAARO COc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000021793177 494507102 /nfs/dbraw/zinc/50/71/02/494507102.db2.gz OVWVVKCNFLJUNL-OAQYLSRUSA-N 1 0 369.440 3.171 50 0 FGAARO COc1cc(OC)cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000023128042 494551027 /nfs/dbraw/zinc/55/10/27/494551027.db2.gz MECHXVDUSVXXKE-UHFFFAOYSA-N 1 0 374.506 3.407 50 0 FGAARO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023127511 494551098 /nfs/dbraw/zinc/55/10/98/494551098.db2.gz CCRMUNDZQDXRMY-UHFFFAOYSA-N 1 0 371.506 3.023 50 0 FGAARO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(c2cc(-c3ccco3)n[nH]2)CC1 ZINC000067540274 494561822 /nfs/dbraw/zinc/56/18/22/494561822.db2.gz WWSYDVAUPWYGCM-AWEZNQCLSA-N 1 0 356.470 3.296 50 0 FGAARO CCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1=O ZINC000024022769 494596760 /nfs/dbraw/zinc/59/67/60/494596760.db2.gz SXDLKNAQTDAKIG-FQEVSTJZSA-N 1 0 356.466 3.466 50 0 FGAARO Cc1ccc(OCc2occc2C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)cc1 ZINC000091493265 494610994 /nfs/dbraw/zinc/61/09/94/494610994.db2.gz AXQLPJWRUWFDLX-DLBZAZTESA-N 1 0 354.450 3.333 50 0 FGAARO O[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(SC3CCCCC3)o1)CC2 ZINC000091563068 494618388 /nfs/dbraw/zinc/61/83/88/494618388.db2.gz NLOSMEKGYNKHMP-CALCHBBNSA-N 1 0 351.512 3.412 50 0 FGAARO Cc1nc2ccccn2c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091604360 494627532 /nfs/dbraw/zinc/62/75/32/494627532.db2.gz ZCAQWQHPRZLWKQ-VQTJNVASSA-N 1 0 361.493 3.134 50 0 FGAARO O=C1[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cnc[nH]3)CC2)CN1C1CC1 ZINC000091635613 494635293 /nfs/dbraw/zinc/63/52/93/494635293.db2.gz IHLFBCUNHOIWFO-HXUWFJFHSA-N 1 0 364.493 3.170 50 0 FGAARO Cc1c2ccc(C)cc2oc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000091636905 494637324 /nfs/dbraw/zinc/63/73/24/494637324.db2.gz QEWLAVBKLZFAIQ-QGZVFWFLSA-N 1 0 356.466 3.423 50 0 FGAARO CC(C)c1nnsc1C[N@@H+]1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000091706922 494653256 /nfs/dbraw/zinc/65/32/56/494653256.db2.gz ZTSJIWDOKVVDBV-IBGZPJMESA-N 1 0 362.543 3.276 50 0 FGAARO CCN1CC2(CCC1=O)CC[NH+](Cc1nc3ccccc3nc1C)CC2 ZINC000091706492 494653381 /nfs/dbraw/zinc/65/33/81/494653381.db2.gz SEWGYSKZRSAOQS-UHFFFAOYSA-N 1 0 352.482 3.163 50 0 FGAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1csc(C(C)=O)c1)C2 ZINC000091745446 494664968 /nfs/dbraw/zinc/66/49/68/494664968.db2.gz WMOTVYDMODTRHY-SJLPKXTDSA-N 1 0 360.523 3.382 50 0 FGAARO Cc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccc(O)cc2)n[nH]1)[NH+](C)C ZINC000091780080 494677114 /nfs/dbraw/zinc/67/71/14/494677114.db2.gz KOHLNNDQQBICPW-HXUWFJFHSA-N 1 0 364.449 3.123 50 0 FGAARO COc1ccc(/C=C/C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]cnc2C)C3)cc1 ZINC000091781633 494679131 /nfs/dbraw/zinc/67/91/31/494679131.db2.gz MGSDNEKEZOVESS-YIYNPQHWSA-N 1 0 366.509 3.336 50 0 FGAARO CC(C)OCCCNC(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000024991861 494688439 /nfs/dbraw/zinc/68/84/39/494688439.db2.gz BEPURBPEXLFOBZ-UHFFFAOYSA-N 1 0 357.498 3.279 50 0 FGAARO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]Cc1cccc(O)c1 ZINC000075108064 494691608 /nfs/dbraw/zinc/69/16/08/494691608.db2.gz ITPAOCWCDCEOHH-BBRMVZONSA-N 1 0 350.459 3.242 50 0 FGAARO Cc1c2ccc(C)cc2oc1C(=O)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000091846095 494702569 /nfs/dbraw/zinc/70/25/69/494702569.db2.gz IDUKPWFYJABERC-QGZVFWFLSA-N 1 0 356.466 3.377 50 0 FGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccccc3F)n[nH]1)C2 ZINC000091876833 494711402 /nfs/dbraw/zinc/71/14/02/494711402.db2.gz PQMYFZGZXDHLBM-HUUCEWRRSA-N 1 0 356.445 3.162 50 0 FGAARO COc1ccnc(C[NH+]2CCC(c3nccn3Cc3cscn3)CC2)c1 ZINC000091896768 494717062 /nfs/dbraw/zinc/71/70/62/494717062.db2.gz QNGWWUKHDURIDB-UHFFFAOYSA-N 1 0 369.494 3.171 50 0 FGAARO [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)COc1ccc(Cl)cc1Cl ZINC000091908213 494718652 /nfs/dbraw/zinc/71/86/52/494718652.db2.gz MNHGHIVIZFRVAX-YOEHRIQHSA-N 1 0 351.233 3.113 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccsc1 ZINC000025328833 494724074 /nfs/dbraw/zinc/72/40/74/494724074.db2.gz QAJCREOVIWJETR-MOPGFXCFSA-N 1 0 374.506 3.339 50 0 FGAARO O=C(CCc1cc2n(n1)CCC[N@H+](Cc1ccccc1)C2)NC1CCCC1 ZINC000091965759 494738258 /nfs/dbraw/zinc/73/82/58/494738258.db2.gz JDYBLBQBCZDTCA-UHFFFAOYSA-N 1 0 366.509 3.280 50 0 FGAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 ZINC000091986752 494745750 /nfs/dbraw/zinc/74/57/50/494745750.db2.gz KOGOEOSUXBPKOW-XMSQKQJNSA-N 1 0 373.504 3.460 50 0 FGAARO c1cnn(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3ccccn3)C4)cc2)c1 ZINC000092037853 494763914 /nfs/dbraw/zinc/76/39/14/494763914.db2.gz BCGYOKNFIFYPAJ-NZQKXSOJSA-N 1 0 373.504 3.364 50 0 FGAARO CC(C)(CNC(=O)NC[C@@H]1CCN(c2ccccc2)C1)[NH+]1CCCCC1 ZINC000047911480 494792201 /nfs/dbraw/zinc/79/22/01/494792201.db2.gz LOVNREUMGJVAJE-SFHVURJKSA-N 1 0 358.530 3.077 50 0 FGAARO C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2F)CC1)C1CCOCC1 ZINC000132275509 494849679 /nfs/dbraw/zinc/84/96/79/494849679.db2.gz ONHVNSVGVFJNRY-INIZCTEOSA-N 1 0 362.489 3.217 50 0 FGAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(=O)[nH]c2ccccc21 ZINC000027604878 494876729 /nfs/dbraw/zinc/87/67/29/494876729.db2.gz CCQIWFBUWSIVKG-KRWDZBQOSA-N 1 0 367.474 3.157 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cccs1 ZINC000027674755 494881145 /nfs/dbraw/zinc/88/11/45/494881145.db2.gz MLLKQHKILPXSIM-ROUUACIJSA-N 1 0 374.506 3.339 50 0 FGAARO O=C(Cc1ccccc1O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095365376 494965539 /nfs/dbraw/zinc/96/55/39/494965539.db2.gz FJTGDORDVVGUDN-UYAOXDASSA-N 1 0 350.462 3.058 50 0 FGAARO CN(Cc1cnc2ccccc2n1)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095372964 494967250 /nfs/dbraw/zinc/96/72/50/494967250.db2.gz LKDHHKMEQRZVGA-SFHVURJKSA-N 1 0 360.461 3.369 50 0 FGAARO Cc1cccc2[nH]c(CCNC(=O)[C@H]3CCC[N@H+](Cc4ccco4)C3)nc21 ZINC000095375691 494968924 /nfs/dbraw/zinc/96/89/24/494968924.db2.gz XEJFBPHIHUNBJA-INIZCTEOSA-N 1 0 366.465 3.035 50 0 FGAARO CC(C)n1cccc1C(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095380175 494969398 /nfs/dbraw/zinc/96/93/98/494969398.db2.gz VAQDGCWVBBINAG-GOSISDBHSA-N 1 0 371.529 3.237 50 0 FGAARO CSc1ncc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1C ZINC000095379311 494969770 /nfs/dbraw/zinc/96/97/70/494969770.db2.gz CXROPTOPVNCNPP-UHFFFAOYSA-N 1 0 358.511 3.058 50 0 FGAARO CN(C)c1nc(NCCC2CC[NH+](Cc3ccccc3)CC2)ncc1F ZINC000095386802 494971672 /nfs/dbraw/zinc/97/16/72/494971672.db2.gz HYTJVJWNBGGPGJ-UHFFFAOYSA-N 1 0 357.477 3.396 50 0 FGAARO CC(C)c1nc(CCNC(=O)C2CC[NH+](Cc3ccco3)CC2)cs1 ZINC000095385255 494972086 /nfs/dbraw/zinc/97/20/86/494972086.db2.gz XFGWIUNUOLNKOG-UHFFFAOYSA-N 1 0 361.511 3.430 50 0 FGAARO O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2cc(Br)ccc2F)CC1 ZINC000095425785 494975297 /nfs/dbraw/zinc/97/52/97/494975297.db2.gz JNHCCRICMGVJRY-SJORKVTESA-N 1 0 371.294 3.056 50 0 FGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CS(=O)(=O)C(C)(C)C)cc1 ZINC000095453317 494976196 /nfs/dbraw/zinc/97/61/96/494976196.db2.gz UQSOFYOSHZZFDQ-OAHLLOKOSA-N 1 0 366.527 3.213 50 0 FGAARO Cn1ccc(N2CCC[C@@H]([NH2+][C@H]3CC=C(c4ccc(F)cc4)CC3)C2=O)n1 ZINC000095465705 494978093 /nfs/dbraw/zinc/97/80/93/494978093.db2.gz VEDQLMFWPKRPLF-RBUKOAKNSA-N 1 0 368.456 3.280 50 0 FGAARO Cc1nc2ccc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)cc2nc1C ZINC000095499203 494980472 /nfs/dbraw/zinc/98/04/72/494980472.db2.gz SYOVMKUIIWTJFJ-IEBWSBKVSA-N 1 0 364.493 3.193 50 0 FGAARO O[C@H]1CN(c2nc(-c3ccccc3)cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000095519708 494985111 /nfs/dbraw/zinc/98/51/11/494985111.db2.gz QWONUUJUNQBZNH-LJQANCHMSA-N 1 0 365.502 3.493 50 0 FGAARO O=C(C1=Cc2ccccc2OC=C1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095523222 494986182 /nfs/dbraw/zinc/98/61/82/494986182.db2.gz UCRAKRQWLLHOLZ-YLJYHZDGSA-N 1 0 350.462 3.309 50 0 FGAARO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000095958223 494992013 /nfs/dbraw/zinc/99/20/13/494992013.db2.gz GBQBUUBLCAOVQK-NSHDSACASA-N 1 0 351.299 3.004 50 0 FGAARO COc1ccc(CC[NH2+]CCCOc2ccc(NC(C)=O)cc2)cc1OC ZINC000096027721 494997232 /nfs/dbraw/zinc/99/72/32/494997232.db2.gz HJJYUDSEPNEWSV-UHFFFAOYSA-N 1 0 372.465 3.263 50 0 FGAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000097814829 495045555 /nfs/dbraw/zinc/04/55/55/495045555.db2.gz BRHZUOUCWCQMHB-FQEVSTJZSA-N 1 0 352.478 3.392 50 0 FGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCO[C@@H](c2ccco2)C1 ZINC000128699536 495137482 /nfs/dbraw/zinc/13/74/82/495137482.db2.gz PRDAWHJNEZCSIW-VQIMIIECSA-N 1 0 373.453 3.183 50 0 FGAARO CN(C)C(=O)c1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000102994269 495180923 /nfs/dbraw/zinc/18/09/23/495180923.db2.gz XMMPWWGXCNTYTK-IBGZPJMESA-N 1 0 363.461 3.013 50 0 FGAARO O[C@H](CCc1ccccc1)C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000170607351 495533909 /nfs/dbraw/zinc/53/39/09/495533909.db2.gz IGEPKODFJQMNPH-OAQYLSRUSA-N 1 0 361.489 3.351 50 0 FGAARO COc1cc(N[C@@H]2CCC[N@H+](Cc3cnc4ccccn34)C2)cc(OC)c1 ZINC000155159612 495857457 /nfs/dbraw/zinc/85/74/57/495857457.db2.gz DQUGNMCKCWOYFW-MRXNPFEDSA-N 1 0 366.465 3.428 50 0 FGAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccncc1F ZINC000161663529 496217832 /nfs/dbraw/zinc/21/78/32/496217832.db2.gz BDKGMDGQXXHDMF-MRXNPFEDSA-N 1 0 357.429 3.053 50 0 FGAARO COc1ccc(CC[C@@H]2CCCCN2C(=O)C2CC[NH2+]CC2)cc1OC ZINC000157319300 496453742 /nfs/dbraw/zinc/45/37/42/496453742.db2.gz CCZFVJHOBIQSHB-SFHVURJKSA-N 1 0 360.498 3.017 50 0 FGAARO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000178554270 496497455 /nfs/dbraw/zinc/49/74/55/496497455.db2.gz IVTFUHFEPGJONR-HNNXBMFYSA-N 1 0 358.511 3.303 50 0 FGAARO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178725063 496552012 /nfs/dbraw/zinc/55/20/12/496552012.db2.gz BBJKLEUADZQQRF-KRWDZBQOSA-N 1 0 360.461 3.330 50 0 FGAARO Cc1cccc(Cn2nc(C[NH2+]CCCCO)c(-c3ccccc3)n2)c1 ZINC000247880031 496924343 /nfs/dbraw/zinc/92/43/43/496924343.db2.gz BUKPIKIRHIUZQI-UHFFFAOYSA-N 1 0 350.466 3.164 50 0 FGAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000215215998 496979205 /nfs/dbraw/zinc/97/92/05/496979205.db2.gz KNKXBBOBYKXWPU-CQSZACIVSA-N 1 0 370.428 3.086 50 0 FGAARO CC1CCN(C(=O)COc2ccccc2CN(C)Cc2nccs2)CC1 ZINC000215283648 496979439 /nfs/dbraw/zinc/97/94/39/496979439.db2.gz OJUIBZCDBCZVOI-UHFFFAOYSA-N 1 0 373.522 3.412 50 0 FGAARO CCn1ncnc1CN1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000215501260 496980631 /nfs/dbraw/zinc/98/06/31/496980631.db2.gz IPWMPPYFPDJQIH-NRFANRHFSA-N 1 0 353.514 3.176 50 0 FGAARO CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2OCCc2ccccc2)C1 ZINC000215381363 496980752 /nfs/dbraw/zinc/98/07/52/496980752.db2.gz XXWNGJVNJPHEJF-FQEVSTJZSA-N 1 0 352.478 3.266 50 0 FGAARO COc1ccc(CN(C)Cc2nncn2C(C)C)cc1C[NH+]1CCCC1 ZINC000216186475 496986921 /nfs/dbraw/zinc/98/69/21/496986921.db2.gz CYRKORVVANAPSU-UHFFFAOYSA-N 1 0 357.502 3.095 50 0 FGAARO OC[C@@]1(O)CCC[N@H+](Cc2ccc3ccn(Cc4ccccc4)c3c2)CC1 ZINC000216216410 496987068 /nfs/dbraw/zinc/98/70/68/496987068.db2.gz IXVASUKNFOKKSS-HSZRJFAPSA-N 1 0 364.489 3.399 50 0 FGAARO CN(Cc1[nH]nc2c1CCCCC2)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000219292574 497008374 /nfs/dbraw/zinc/00/83/74/497008374.db2.gz ZTKXCQNHISJLHO-GOSISDBHSA-N 1 0 366.509 3.127 50 0 FGAARO O=C(Cc1ccc(O)c(Cl)c1)NC[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000219229348 497008870 /nfs/dbraw/zinc/00/88/70/497008870.db2.gz TXQYCLFOBAPMHL-OAHLLOKOSA-N 1 0 350.890 3.359 50 0 FGAARO COCc1nc(C2CC([NH3+])C2)cc(N(C)Cc2csc(C(C)C)n2)n1 ZINC000219461301 497009655 /nfs/dbraw/zinc/00/96/55/497009655.db2.gz IHNABQYEHYLWGG-UHFFFAOYSA-N 1 0 361.515 3.044 50 0 FGAARO c1cn(CCCOc2ccc(CN3CC[NH+](C4CCCC4)CC3)cc2)cn1 ZINC000220194346 497013869 /nfs/dbraw/zinc/01/38/69/497013869.db2.gz GJXOLIRAGYWZCB-UHFFFAOYSA-N 1 0 368.525 3.412 50 0 FGAARO CC(=O)N1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)c2ccc(F)cc2C1 ZINC000225614818 497069827 /nfs/dbraw/zinc/06/98/27/497069827.db2.gz PMGWQAXJONLMGE-QUCCMNQESA-N 1 0 354.425 3.212 50 0 FGAARO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229714021 497100652 /nfs/dbraw/zinc/10/06/52/497100652.db2.gz QFLWROYCVICFRB-KGLIPLIRSA-N 1 0 363.527 3.398 50 0 FGAARO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCc3c(cccc3OC)C2)cc1 ZINC000192440673 497115579 /nfs/dbraw/zinc/11/55/79/497115579.db2.gz NORQSJHWGLWOHN-QGZVFWFLSA-N 1 0 354.450 3.180 50 0 FGAARO CC(=O)N1CCC([NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000236614031 497121470 /nfs/dbraw/zinc/12/14/70/497121470.db2.gz CHIIJPNPZDEBAJ-SFHVURJKSA-N 1 0 367.896 3.044 50 0 FGAARO O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)C1CC[NH+](C2CC2)CC1 ZINC000192597998 497160712 /nfs/dbraw/zinc/16/07/12/497160712.db2.gz CNRFUCPQQBDIHD-MRXNPFEDSA-N 1 0 361.917 3.299 50 0 FGAARO CCN(CC1CCN(c2ccccn2)CC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192637760 497171957 /nfs/dbraw/zinc/17/19/57/497171957.db2.gz ZMUYTLHEHJFODS-UHFFFAOYSA-N 1 0 370.541 3.021 50 0 FGAARO CCOc1c(Cl)cc(/C=C/C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000237053887 497185271 /nfs/dbraw/zinc/18/52/71/497185271.db2.gz VRZPEXYRMWUZTG-GSKXSAQWSA-N 1 0 352.862 3.099 50 0 FGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCCOc2ccccc2Br)C1 ZINC000237463420 497240804 /nfs/dbraw/zinc/24/08/04/497240804.db2.gz JCOUZFOJDSRALW-UONOGXRCSA-N 1 0 369.303 3.194 50 0 FGAARO O[C@H]1Cc2ccccc2C12CC[NH+](Cc1nnc(-c3ccccc3)o1)CC2 ZINC000252509890 497308828 /nfs/dbraw/zinc/30/88/28/497308828.db2.gz YXNKPERUNBATPQ-IBGZPJMESA-N 1 0 361.445 3.187 50 0 FGAARO Cc1nc(COc2ccccc2/C=C\C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cs1 ZINC000255028180 497355137 /nfs/dbraw/zinc/35/51/37/497355137.db2.gz HFJZILMSNSRHNV-VMZPBXKQSA-N 1 0 371.506 3.253 50 0 FGAARO O=C(CC[NH+]1CCC2(CC1)c1ccccc1C[C@H]2O)Nc1ccccc1F ZINC000243957165 497361739 /nfs/dbraw/zinc/36/17/39/497361739.db2.gz CGZYURVTOQAFNQ-HXUWFJFHSA-N 1 0 368.452 3.105 50 0 FGAARO CN1C[C@]2(CCC[N@H+](CCC(=O)Nc3cccc4ccccc43)C2)OC1=O ZINC000244708324 497367442 /nfs/dbraw/zinc/36/74/42/497367442.db2.gz KRQPEALVIOYZQG-NRFANRHFSA-N 1 0 367.449 3.085 50 0 FGAARO O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(c2ccncn2)CC1 ZINC000244787865 497369793 /nfs/dbraw/zinc/36/97/93/497369793.db2.gz QFBCBXHYSXXOLB-OAQYLSRUSA-N 1 0 364.493 3.237 50 0 FGAARO CCc1cccc(C)c1NC(=O)CC[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000244899915 497374632 /nfs/dbraw/zinc/37/46/32/497374632.db2.gz ZSSRLAMUJPOWPQ-GOSISDBHSA-N 1 0 354.498 3.499 50 0 FGAARO Cc1nnc([C@H]2C[N@@H+](C)CC23CCN(C(=O)Nc2ccccc2C)CC3)o1 ZINC000257174776 497384067 /nfs/dbraw/zinc/38/40/67/497384067.db2.gz KOBCDSUPOGVNJS-MRXNPFEDSA-N 1 0 369.469 3.030 50 0 FGAARO C[NH+](C)CC1(O)CCC2(CCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000257195327 497389097 /nfs/dbraw/zinc/38/90/97/497389097.db2.gz VWHZNEUTKKJYRA-UHFFFAOYSA-N 1 0 358.526 3.095 50 0 FGAARO Cc1c[nH+]c(C2CCC2)n1[C@@H]1CCN(C(=O)COc2ccc(F)cc2)C1 ZINC000575548908 505979812 /nfs/dbraw/zinc/97/98/12/505979812.db2.gz IBELDDWYBXRLGO-QGZVFWFLSA-N 1 0 357.429 3.451 50 0 FGAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC000575550810 505981102 /nfs/dbraw/zinc/98/11/02/505981102.db2.gz YGDKRRAVQQJAEK-MRXNPFEDSA-N 1 0 363.465 3.351 50 0 FGAARO O=C(c1nc2ccccc2s1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575605534 505982239 /nfs/dbraw/zinc/98/22/39/505982239.db2.gz FTJQWBQZYQNQTA-UHFFFAOYSA-N 1 0 361.536 3.340 50 0 FGAARO CC(C)[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1nc(-c2ccncc2)no1 ZINC000333148410 498914756 /nfs/dbraw/zinc/91/47/56/498914756.db2.gz MCHBUEANIJIKPD-JKQORVJESA-N 1 0 371.485 3.206 50 0 FGAARO Cc1cc(Cl)c(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C ZINC000333308790 498975188 /nfs/dbraw/zinc/97/51/88/498975188.db2.gz RHXHBZPWTUVFBC-MAUKXSAKSA-N 1 0 350.890 3.315 50 0 FGAARO CCOc1ccccc1C[N@@H+]1C[C@@H](CNC(=O)COC)C2(C1)CCCCC2 ZINC000409420062 499596167 /nfs/dbraw/zinc/59/61/67/499596167.db2.gz WOUCJNLWYQRBEW-LJQANCHMSA-N 1 0 374.525 3.230 50 0 FGAARO Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000426503637 500281126 /nfs/dbraw/zinc/28/11/26/500281126.db2.gz YEGAGYXCJQXMSA-QGZVFWFLSA-N 1 0 373.932 3.444 50 0 FGAARO COc1ccc(-c2cccc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)c2)c(OC)c1 ZINC000426521186 500284322 /nfs/dbraw/zinc/28/43/22/500284322.db2.gz HLAOBBGYBGDMOJ-HXUWFJFHSA-N 1 0 366.461 3.195 50 0 FGAARO CN(CC[NH+]1CCCCCC1)C(=O)Nc1cnn(Cc2cccc(F)c2)c1 ZINC000426689329 500306898 /nfs/dbraw/zinc/30/68/98/500306898.db2.gz VQFZMEOWYFUCPT-UHFFFAOYSA-N 1 0 373.476 3.410 50 0 FGAARO C[NH+](C)CCNC(=O)N(Cc1cccnc1)[C@@H]1CCCc2ccccc21 ZINC000426719796 500310558 /nfs/dbraw/zinc/31/05/58/500310558.db2.gz DSMWXBPUTMOYQZ-HXUWFJFHSA-N 1 0 352.482 3.232 50 0 FGAARO CC(C)[C@H]1CCO[C@H]1C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000514186802 503108155 /nfs/dbraw/zinc/10/81/55/503108155.db2.gz SPLCWZRTFHEQJY-WOJBJXKFSA-N 1 0 360.498 3.185 50 0 FGAARO CCCc1cc(-c2cccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)nc(C)n1 ZINC000534582871 504183009 /nfs/dbraw/zinc/18/30/09/504183009.db2.gz OMUBNCGHIBNLOB-HXUWFJFHSA-N 1 0 364.493 3.325 50 0 FGAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)NCc1nccn1C(C)C ZINC000534585444 504183756 /nfs/dbraw/zinc/18/37/56/504183756.db2.gz USQJOTQXVFAWSX-UHFFFAOYSA-N 1 0 363.531 3.107 50 0 FGAARO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)N1CCSCC1 ZINC000534640156 504198749 /nfs/dbraw/zinc/19/87/49/504198749.db2.gz FOXNOHRYQDONCT-INIZCTEOSA-N 1 0 353.919 3.235 50 0 FGAARO Cc1c[nH]c([C@H](C)NC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000534659701 504207705 /nfs/dbraw/zinc/20/77/05/504207705.db2.gz RQDVJXKLXNKGAG-KRWDZBQOSA-N 1 0 369.513 3.128 50 0 FGAARO CC[C@H](CNC(=O)N1CCC(OCc2ccccn2)CC1)[NH+]1CCCCC1 ZINC000534664023 504209194 /nfs/dbraw/zinc/20/91/94/504209194.db2.gz WTAUNTBOLYVUAV-LJQANCHMSA-N 1 0 374.529 3.037 50 0 FGAARO C[C@H](Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1)C1CC(F)(F)C1 ZINC000529535118 504720090 /nfs/dbraw/zinc/72/00/90/504720090.db2.gz URCDADXWDQRZAD-ZFWWWQNUSA-N 1 0 351.441 3.230 50 0 FGAARO CC(C)c1cc(CNC(=O)N2CCC[N@H+](Cc3cccs3)CC2)no1 ZINC000584890008 507557392 /nfs/dbraw/zinc/55/73/92/507557392.db2.gz CDLJPWPGCIJIPW-UHFFFAOYSA-N 1 0 362.499 3.277 50 0 FGAARO Cc1nc(-c2cccc(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)c2)c(C)[nH]1 ZINC000584890531 507558997 /nfs/dbraw/zinc/55/89/97/507558997.db2.gz LMKBHLGNZDYXFV-AWEZNQCLSA-N 1 0 352.482 3.392 50 0 FGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3ccc4ncsc4c3)cc2C1 ZINC000082117014 519855587 /nfs/dbraw/zinc/85/55/87/519855587.db2.gz VTLCXMGIACUSBF-UHFFFAOYSA-N 1 0 369.494 3.039 50 0 FGAARO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(O)cc1Cl)c1ccco1 ZINC000079110305 520831053 /nfs/dbraw/zinc/83/10/53/520831053.db2.gz HMODJDYICFYLSH-INIZCTEOSA-N 1 0 350.846 3.380 50 0 FGAARO CCCc1ccc(C(=O)N2CCC(C[N@@H+]3CCN(C)C[C@H]3C)CC2)cc1 ZINC000239593080 521389609 /nfs/dbraw/zinc/38/96/09/521389609.db2.gz DNYOXONEHCVMBC-GOSISDBHSA-N 1 0 357.542 3.127 50 0 FGAARO CC[NH+]1CCN(C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000082038711 521687001 /nfs/dbraw/zinc/68/70/01/521687001.db2.gz HMJGIOOUNALOEA-GMAHTHKFSA-N 1 0 368.521 3.099 50 0 FGAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cnc(-c3ccccc3C)nc1)C2 ZINC000091452313 521701045 /nfs/dbraw/zinc/70/10/45/521701045.db2.gz DNFDGJFYDFKOSW-RBUKOAKNSA-N 1 0 364.493 3.285 50 0 FGAARO CCc1cnc(C)nc1N1CCC([NH2+]CCCc2nc(C)cs2)CC1 ZINC000096162584 522002514 /nfs/dbraw/zinc/00/25/14/522002514.db2.gz NXNZBTFKWUWBCS-UHFFFAOYSA-N 1 0 359.543 3.304 50 0 FGAARO COc1cc(C(C)=O)ccc1OCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020500171 522178219 /nfs/dbraw/zinc/17/82/19/522178219.db2.gz MEILMDGAQLUVID-UHFFFAOYSA-N 1 0 368.477 3.094 50 0 FGAARO CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CC[N@@H+]1C[C@@H](C)O ZINC000089949203 523384553 /nfs/dbraw/zinc/38/45/53/523384553.db2.gz YHLDYRWOJZZNCL-DYESRHJHSA-N 1 0 354.494 3.076 50 0 FGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(C)s3)C[C@@H]2CCO)cc1C ZINC000020994778 524032772 /nfs/dbraw/zinc/03/27/72/524032772.db2.gz CPIYGIBKDUGXPJ-IBGZPJMESA-N 1 0 374.550 3.442 50 0 FGAARO COc1ccc(OC)c(CN2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000019842201 524828772 /nfs/dbraw/zinc/82/87/72/524828772.db2.gz SYEDLSSZCNHPTI-UHFFFAOYSA-N 1 0 354.494 3.454 50 0 FGAARO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3c(C)cc(C)cc3C)CC2)cc1 ZINC000020472134 524964290 /nfs/dbraw/zinc/96/42/90/524964290.db2.gz FWNCVAAJHJVCQT-JOCHJYFZSA-N 1 0 368.521 3.482 50 0 FGAARO Cc1ccsc1[C@@H](CNC(=O)c1cccc(Cn2cccn2)c1)[NH+](C)C ZINC000091586310 525871137 /nfs/dbraw/zinc/87/11/37/525871137.db2.gz GISKFNGAGQXFGI-GOSISDBHSA-N 1 0 368.506 3.334 50 0 FGAARO c1ccc(Cc2ccccc2OCCCC[NH2+]CCN2CCOCC2)cc1 ZINC000020482360 526479071 /nfs/dbraw/zinc/47/90/71/526479071.db2.gz QYEYXHQRKBTEFA-UHFFFAOYSA-N 1 0 368.521 3.358 50 0 FGAARO O=C(NCc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020100438 526697325 /nfs/dbraw/zinc/69/73/25/526697325.db2.gz CUFTWFNIRTYJLG-UHFFFAOYSA-N 1 0 370.424 3.083 50 0 FGAARO CCCNC(=O)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000096230662 535123699 /nfs/dbraw/zinc/12/36/99/535123699.db2.gz LYNWUPLQECSMDO-UHFFFAOYSA-N 1 0 355.457 3.288 50 0 FGAARO CCCc1cnc(C)nc1N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000095511939 535437599 /nfs/dbraw/zinc/43/75/99/535437599.db2.gz KULVDEOBPOKCER-HXUWFJFHSA-N 1 0 354.498 3.030 50 0 FGAARO COc1ccc(CCCC(=O)N2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000218867348 536831578 /nfs/dbraw/zinc/83/15/78/536831578.db2.gz YKYHNVYVKBCPFW-UHFFFAOYSA-N 1 0 353.466 3.070 50 0 FGAARO C[N@H+](CC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)C1CCCC1 ZINC000220093744 568321711 /nfs/dbraw/zinc/32/17/11/568321711.db2.gz OHWMWKILQXOXKL-NZBFNNPHSA-N 1 0 367.493 3.037 50 0 FGAARO [NH3+]CCOc1cccc(CC(=O)NCC2(c3ccccc3F)CCCC2)c1 ZINC000426434121 570604706 /nfs/dbraw/zinc/60/47/06/570604706.db2.gz OQGOYQYOQITWDU-UHFFFAOYSA-N 1 0 370.468 3.334 50 0 FGAARO CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C\c2cccc(OC)c2OC(F)F)C1 ZINC000103475785 570850502 /nfs/dbraw/zinc/85/05/02/570850502.db2.gz 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/nfs/dbraw/zinc/98/51/41/494985141.db2.gz HKZNXGPOEBQYOI-IBGZPJMESA-N 1 0 365.477 3.070 50 0 FGAARO Cc1noc(C)c1CC(=O)N1CCC2(C[C@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095520476 494985675 /nfs/dbraw/zinc/98/56/75/494985675.db2.gz UOKHNIUZOGJTEN-IBGZPJMESA-N 1 0 367.493 3.314 50 0 FGAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3cc[nH]c3)C2)cc1 ZINC000095529833 494988603 /nfs/dbraw/zinc/98/86/03/494988603.db2.gz CUUPVTWBBNGYJP-SFHVURJKSA-N 1 0 355.482 3.050 50 0 FGAARO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCOC1 ZINC000095941387 494990684 /nfs/dbraw/zinc/99/06/84/494990684.db2.gz KTDNPCKTWPAPEB-UKRRQHHQSA-N 1 0 362.857 3.231 50 0 FGAARO CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3nc2N2CCCC2)C1 ZINC000095957397 494991581 /nfs/dbraw/zinc/99/15/81/494991581.db2.gz GXCSRHHROXSOHG-KRWDZBQOSA-N 1 0 352.482 3.049 50 0 FGAARO CSC(C)(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013583 494996549 /nfs/dbraw/zinc/99/65/49/494996549.db2.gz DJDYINHLPRGZKJ-NVXWUHKLSA-N 1 0 366.527 3.144 50 0 FGAARO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124046935 495225902 /nfs/dbraw/zinc/22/59/02/495225902.db2.gz NREUZLDYKFBRHW-KRWDZBQOSA-N 1 0 360.461 3.330 50 0 FGAARO O=c1cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)nc2ccc(Cl)cn12 ZINC000124261487 495259889 /nfs/dbraw/zinc/25/98/89/495259889.db2.gz USLGBCDPAMVCGU-INIZCTEOSA-N 1 0 353.853 3.413 50 0 FGAARO C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1cccc(-n2cccn2)c1 ZINC000170607512 495533394 /nfs/dbraw/zinc/53/33/94/495533394.db2.gz CKJLNMHDWCTSTA-HNNXBMFYSA-N 1 0 356.470 3.390 50 0 FGAARO C[C@]1(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1(Cl)Cl ZINC000170625861 495537259 /nfs/dbraw/zinc/53/72/59/495537259.db2.gz MXNVWYUXUDUFCY-CQSZACIVSA-N 1 0 365.370 3.438 50 0 FGAARO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000170637835 495542043 /nfs/dbraw/zinc/54/20/43/495542043.db2.gz FRYLJZLPVKHKBJ-INIZCTEOSA-N 1 0 363.477 3.205 50 0 FGAARO O=C(NCc1nc2cc(F)ccc2[nH]1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000176522201 495681058 /nfs/dbraw/zinc/68/10/58/495681058.db2.gz VXURMRSILGUCIZ-IBGZPJMESA-N 1 0 366.440 3.373 50 0 FGAARO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(c2cc[nH]n2)CC1 ZINC000175065577 496234981 /nfs/dbraw/zinc/23/49/81/496234981.db2.gz TZLURNNHLTWFAT-FQEVSTJZSA-N 1 0 352.482 3.170 50 0 FGAARO CSc1ccc(CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000175676148 496496580 /nfs/dbraw/zinc/49/65/80/496496580.db2.gz HRKPAOOLIRLWPX-UHFFFAOYSA-N 1 0 355.507 3.127 50 0 FGAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C1 ZINC000153831817 496594390 /nfs/dbraw/zinc/59/43/90/496594390.db2.gz UENNFUUHUAOXDR-KRWDZBQOSA-N 1 0 366.509 3.228 50 0 FGAARO Fc1cc(OCC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc1Cl ZINC000192013112 496963519 /nfs/dbraw/zinc/96/35/19/496963519.db2.gz GYJHRCNELMWRKS-ZDUSSCGKSA-N 1 0 364.852 3.275 50 0 FGAARO O[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCCCn2ccnc2)CC1 ZINC000215074511 496977736 /nfs/dbraw/zinc/97/77/36/496977736.db2.gz OBOFRPJEBWKDGF-SFHVURJKSA-N 1 0 363.889 3.352 50 0 FGAARO COc1cc(OC)c(C[N@H+](C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1Cl ZINC000215394243 496980197 /nfs/dbraw/zinc/98/01/97/496980197.db2.gz HQHIMAMIEDLEBA-ZDUSSCGKSA-N 1 0 368.905 3.436 50 0 FGAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2[nH]c(-c3ccc(Cl)cc3)nc2C1 ZINC000215401630 496980494 /nfs/dbraw/zinc/98/04/94/496980494.db2.gz UHLXZWBWCCJXPW-KRWDZBQOSA-N 1 0 358.873 3.099 50 0 FGAARO CN(CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000215919859 496984553 /nfs/dbraw/zinc/98/45/53/496984553.db2.gz OFVLHXGAGUCSOX-OAQYLSRUSA-N 1 0 371.912 3.229 50 0 FGAARO CC(=O)c1cc(C[N@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)cs1 ZINC000215872741 496984667 /nfs/dbraw/zinc/98/46/67/496984667.db2.gz LQBPXYBGWIQCDE-FQEVSTJZSA-N 1 0 354.475 3.461 50 0 FGAARO Nc1nc(NCCc2nc(-c3ccccc3)cs2)cc(C2CC([NH3+])C2)n1 ZINC000219894289 497012059 /nfs/dbraw/zinc/01/20/59/497012059.db2.gz ILLLTLPDMSJWGZ-UHFFFAOYSA-N 1 0 366.494 3.042 50 0 FGAARO C[C@@H]1CN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CCCO1 ZINC000221396486 497018692 /nfs/dbraw/zinc/01/86/92/497018692.db2.gz LBPMQSZWVMYMHA-GOSISDBHSA-N 1 0 364.489 3.496 50 0 FGAARO Cc1noc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)n1 ZINC000222133238 497021256 /nfs/dbraw/zinc/02/12/56/497021256.db2.gz NPRAEADQYYVKIO-IUODEOHRSA-N 1 0 355.360 3.310 50 0 FGAARO COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000222170496 497021275 /nfs/dbraw/zinc/02/12/75/497021275.db2.gz SXASHFGGRSQRKE-FXAWDEMLSA-N 1 0 352.478 3.232 50 0 FGAARO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000222497685 497024552 /nfs/dbraw/zinc/02/45/52/497024552.db2.gz GAVVVBMWJGVABY-QGZVFWFLSA-N 1 0 354.498 3.155 50 0 FGAARO COc1ccc([C@@H]2CCC[N@@H+]2CCNC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000227647242 497090329 /nfs/dbraw/zinc/09/03/29/497090329.db2.gz XLCMPUKIIAXZGM-UTKZUKDTSA-N 1 0 368.477 3.416 50 0 FGAARO O=C(c1ccccc1-c1ccccc1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000230481954 497104296 /nfs/dbraw/zinc/10/42/96/497104296.db2.gz FRJDGFMKJAJGOE-HXUWFJFHSA-N 1 0 364.489 3.272 50 0 FGAARO Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000237658907 497270934 /nfs/dbraw/zinc/27/09/34/497270934.db2.gz UGMRWUJVMRHZOI-OXJNMPFZSA-N 1 0 367.497 3.124 50 0 FGAARO CS[C@@H]1CN(c2nc(-c3ccncc3)nc3ccccc32)C[C@H]1[NH+](C)C ZINC000252477398 497301070 /nfs/dbraw/zinc/30/10/70/497301070.db2.gz NAXBIPRVTPLCLX-QZTJIDSGSA-N 1 0 365.506 3.174 50 0 FGAARO O=C(CC[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1O)Nc1ccccc1 ZINC000252479622 497302167 /nfs/dbraw/zinc/30/21/67/497302167.db2.gz BIVKWBDREYMZMR-CTNGQTDRSA-N 1 0 352.478 3.331 50 0 FGAARO Cn1cncc1C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000237931127 497316138 /nfs/dbraw/zinc/31/61/38/497316138.db2.gz TWGVWGPASXTTKB-GOSISDBHSA-N 1 0 362.905 3.015 50 0 FGAARO CC[NH+](CC)C[C@H](O)CN1CCn2c3ccc(C)cc3c3c2[C@H]1CCC3 ZINC000239165002 497350032 /nfs/dbraw/zinc/35/00/32/497350032.db2.gz NHQPDZJOVULUOU-LAUBAEHRSA-N 1 0 355.526 3.345 50 0 FGAARO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c2cccnc12 ZINC000241132752 497352362 /nfs/dbraw/zinc/35/23/62/497352362.db2.gz JLKVBCKEUJXLAC-SJORKVTESA-N 1 0 373.522 3.179 50 0 FGAARO Cc1cc(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)nc(N(C)C)n1 ZINC000241465981 497352923 /nfs/dbraw/zinc/35/29/23/497352923.db2.gz NTQWSNHAYOTKAM-CYBMUJFWSA-N 1 0 363.868 3.012 50 0 FGAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cc3ncccn3n2)cc1 ZINC000243901746 497361855 /nfs/dbraw/zinc/36/18/55/497361855.db2.gz BDNKXLPSYAANJQ-LJQANCHMSA-N 1 0 363.465 3.158 50 0 FGAARO O=C(CC[N@@H+]1CCC[C@@H](OCc2ccccn2)C1)Nc1cccc(F)c1 ZINC000244678572 497367334 /nfs/dbraw/zinc/36/73/34/497367334.db2.gz IFZNEJNBKAVQAG-LJQANCHMSA-N 1 0 357.429 3.231 50 0 FGAARO Cc1ccc(NC(=O)CC[NH+]2CCC3(CCC(=O)N3C)CC2)cc1Cl ZINC000244724593 497369146 /nfs/dbraw/zinc/36/91/46/497369146.db2.gz MXAVFNFUSCSBGN-UHFFFAOYSA-N 1 0 363.889 3.064 50 0 FGAARO O=C(c1ccccc1)N1CCC([NH2+][C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)CC1 ZINC000244842344 497371875 /nfs/dbraw/zinc/37/18/75/497371875.db2.gz UOZPOPOMTXXGFC-IMFGXOCKSA-N 1 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ZINC000575558691 505981180 /nfs/dbraw/zinc/98/11/80/505981180.db2.gz RNLXBDGMSAZOIW-HXUWFJFHSA-N 1 0 366.509 3.382 50 0 FGAARO Cn1cc2c(n1)CCC[C@H]2NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000282825013 498669137 /nfs/dbraw/zinc/66/91/37/498669137.db2.gz OKFWLMTZIPMPRM-LJQANCHMSA-N 1 0 366.509 3.216 50 0 FGAARO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)[C@H]1CCn2cncc2C1 ZINC000332770912 498788465 /nfs/dbraw/zinc/78/84/65/498788465.db2.gz OKCCFPAQIBJCPE-ZANVPECISA-N 1 0 352.221 3.002 50 0 FGAARO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[C@H]3CCCc4ccccc43)CC2)C1 ZINC000333229084 498944109 /nfs/dbraw/zinc/94/41/09/498944109.db2.gz BNWJIPCRYCKRMZ-SFHLNBCPSA-N 1 0 356.510 3.242 50 0 FGAARO O=C(NCC1CC[NH2+]CC1)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC000426531822 500285838 /nfs/dbraw/zinc/28/58/38/500285838.db2.gz QXKIDZIOJGYZEE-UHFFFAOYSA-N 1 0 363.383 3.497 50 0 FGAARO Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)NCC1CC[NH2+]CC1 ZINC000426589159 500292485 /nfs/dbraw/zinc/29/24/85/500292485.db2.gz WYIHIZBIXAWEPC-UHFFFAOYSA-N 1 0 358.486 3.245 50 0 FGAARO O=C(c1cccc2cccnc21)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000426597377 500293641 /nfs/dbraw/zinc/29/36/41/500293641.db2.gz IZILPANNVDYVBH-UHFFFAOYSA-N 1 0 357.457 3.160 50 0 FGAARO CCn1ncnc1[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000426673960 500305038 /nfs/dbraw/zinc/30/50/38/500305038.db2.gz ARYGSTOSXKWBSB-MRXNPFEDSA-N 1 0 355.486 3.165 50 0 FGAARO CC1(C)Cc2cc(CNC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)ccc2O1 ZINC000426690766 500307008 /nfs/dbraw/zinc/30/70/08/500307008.db2.gz WJKYDQIKAZZOFP-SFHVURJKSA-N 1 0 357.498 3.170 50 0 FGAARO CC(=O)N(C)c1cccc(NC(=O)NC[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000426691358 500307056 /nfs/dbraw/zinc/30/70/56/500307056.db2.gz WPQSJSDLCSNBIX-FQEVSTJZSA-N 1 0 368.481 3.402 50 0 FGAARO CN(Cc1cc(-c2ccccc2)on1)C(=O)NCC[C@@H]1CCCC[N@@H+]1C ZINC000426712164 500309988 /nfs/dbraw/zinc/30/99/88/500309988.db2.gz OQIYJTWGUVTSBN-SFHVURJKSA-N 1 0 356.470 3.357 50 0 FGAARO C[N@@H+]1C[C@@H]2CC[C@H]1CN(C(=O)c1cccc(-c3ccc4c(c3)OCO4)c1)C2 ZINC000426737353 500313612 /nfs/dbraw/zinc/31/36/12/500313612.db2.gz GSWTUDTYSHRULI-KXBFYZLASA-N 1 0 364.445 3.249 50 0 FGAARO COCc1nocc1C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000485795409 501940552 /nfs/dbraw/zinc/94/05/52/501940552.db2.gz NNDMFHUTVOYUBA-LJQANCHMSA-N 1 0 371.481 3.024 50 0 FGAARO O=C(NCC1(COc2ccccc2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000534661874 504207403 /nfs/dbraw/zinc/20/74/03/504207403.db2.gz GGBVCVORJNZYLD-SFHVURJKSA-N 1 0 357.498 3.115 50 0 FGAARO Cc1cc(C[NH+]2CCCC2)cc(-c2ccc(C(=O)N3CC(O)C3)cc2)c1 ZINC000534662716 504208485 /nfs/dbraw/zinc/20/84/85/504208485.db2.gz QQMWMXBIDHCYDF-UHFFFAOYSA-N 1 0 350.462 3.075 50 0 FGAARO COc1ccc(CN(C)C(=O)NCC[NH+]2CCC(C)CC2)c2cccnc12 ZINC000534672549 504211419 /nfs/dbraw/zinc/21/14/19/504211419.db2.gz KMEDUJSZVJIKNJ-UHFFFAOYSA-N 1 0 370.497 3.117 50 0 FGAARO C[NH+](C)CCN(C(=O)/C=C\c1ccc(OCc2ccccn2)cc1)C1CC1 ZINC000606443233 507406830 /nfs/dbraw/zinc/40/68/30/507406830.db2.gz IMOIOUYPBOKGNW-JYRVWZFOSA-N 1 0 365.477 3.226 50 0 FGAARO CN(CCn1ccc2ccccc21)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000584888402 507556200 /nfs/dbraw/zinc/55/62/00/507556200.db2.gz WUVKICZULFFJNH-KRWDZBQOSA-N 1 0 356.514 3.403 50 0 FGAARO C[C@H]1CCC[N@H+](CCCNC(=O)N(C)Cc2cc(-c3ccncc3)no2)C1 ZINC000584888467 507556270 /nfs/dbraw/zinc/55/62/70/507556270.db2.gz CTFHVJWJUVISJL-INIZCTEOSA-N 1 0 371.485 3.000 50 0 FGAARO C[C@@H](NC(=O)N(C)Cc1ccc2c(c1)C[N@@H+](C)C2)c1ccc(O)c(F)c1 ZINC000584902664 507563811 /nfs/dbraw/zinc/56/38/11/507563811.db2.gz STAJHAPMVFWRAX-CYBMUJFWSA-N 1 0 357.429 3.379 50 0 FGAARO Cc1cc(C)nc(CN(C)C(=O)NC[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000584901189 507564298 /nfs/dbraw/zinc/56/42/98/507564298.db2.gz OFUIWYBAKUMYGZ-GOSISDBHSA-N 1 0 358.530 3.494 50 0 FGAARO COC(=O)c1cc(C[NH3+])cc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000299790711 533783153 /nfs/dbraw/zinc/78/31/53/533783153.db2.gz CCFCSDCBEBCABI-UHFFFAOYSA-N 1 0 352.312 3.203 50 0 FGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(C4CC4)nn3C)CC2)o1 ZINC000299758106 533917145 /nfs/dbraw/zinc/91/71/45/533917145.db2.gz BZJDXHBBYCJJAL-UHFFFAOYSA-N 1 0 371.485 3.233 50 0 FGAARO C[C@@H](Cc1cccnc1)NC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000299781463 534254129 /nfs/dbraw/zinc/25/41/29/534254129.db2.gz OMVFLAZQACQGMT-INIZCTEOSA-N 1 0 368.481 3.307 50 0 FGAARO Cc1ccc2c(C)nc(N3CCC[C@H]([NH2+]C[C@@H]4CCCO4)CC3)nc2c1 ZINC000299781191 534377283 /nfs/dbraw/zinc/37/72/83/534377283.db2.gz URXQKFHCPNSEJN-ROUUACIJSA-N 1 0 354.498 3.374 50 0 FGAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)N[C@H](C)c3ccc(F)cc3)cc2C1 ZINC000082136763 519732017 /nfs/dbraw/zinc/73/20/17/519732017.db2.gz JKMPQPRLKWWCLC-OAHLLOKOSA-N 1 0 373.476 3.054 50 0 FGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)Cc3cccc(SC)c3)cc2C1 ZINC000082120206 519854718 /nfs/dbraw/zinc/85/47/18/519854718.db2.gz YMUUPTBTGKUGHK-UHFFFAOYSA-N 1 0 372.538 3.080 50 0 FGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3csc(C)c3CC)cc2C1 ZINC000082120390 519855447 /nfs/dbraw/zinc/85/54/47/519855447.db2.gz XOXVNRPUUILQIO-UHFFFAOYSA-N 1 0 360.527 3.361 50 0 FGAARO CC(C)n1cnnc1CN(C)C(=O)c1ccc([C@@H](C)[NH+]2CCCCC2)o1 ZINC000091645584 520053561 /nfs/dbraw/zinc/05/35/61/520053561.db2.gz FDERNMWLOGZWPZ-OAHLLOKOSA-N 1 0 359.474 3.271 50 0 FGAARO CCOc1ccc(C[NH+]2CCC3(CCC(=O)N(CCCOC)C3)CC2)cc1 ZINC000091381109 520969731 /nfs/dbraw/zinc/96/97/31/520969731.db2.gz VKUKVVAIABKZJN-UHFFFAOYSA-N 1 0 374.525 3.326 50 0 FGAARO CCCc1cc(NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)nc(C)n1 ZINC000082134423 521380686 /nfs/dbraw/zinc/38/06/86/521380686.db2.gz MKZLZMHCTNPNIJ-UHFFFAOYSA-N 1 0 356.518 3.408 50 0 FGAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(N3CCOCC3)cc2C)C[C@H]1C ZINC000239672591 521718564 /nfs/dbraw/zinc/71/85/64/521718564.db2.gz BTYSAOAEUAKXQK-MSOLQXFVSA-N 1 0 374.529 3.168 50 0 FGAARO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000252452489 522025424 /nfs/dbraw/zinc/02/54/24/522025424.db2.gz LMKXCOJDANBFHC-KSSFIOAISA-N 1 0 372.490 3.377 50 0 FGAARO CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000091518825 523507261 /nfs/dbraw/zinc/50/72/61/523507261.db2.gz UZKXNWXMDQUPBR-UHFFFAOYSA-N 1 0 364.449 3.333 50 0 FGAARO C[NH+]1CCN(c2ccccc2NC[C@@]2(c3cccc(F)c3)CCOC2)CC1 ZINC000019836484 523927073 /nfs/dbraw/zinc/92/70/73/523927073.db2.gz BJZIJMWJRZKRHD-QFIPXVFZSA-N 1 0 369.484 3.348 50 0 FGAARO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H]2CCC[NH2+]C2)cc1OC ZINC000157320535 523981570 /nfs/dbraw/zinc/98/15/70/523981570.db2.gz OPLLZOHHCWOGGG-ROUUACIJSA-N 1 0 360.498 3.017 50 0 FGAARO CCc1ccc(NC(=O)NCCNc2cc(-n3cccc3)nc(C)[nH+]2)cc1 ZINC000085472206 523984588 /nfs/dbraw/zinc/98/45/88/523984588.db2.gz OXYMJFZCZRANFK-UHFFFAOYSA-N 1 0 364.453 3.372 50 0 FGAARO Cc1ccc(CN2CC[N@H+](Cc3c[nH]c4ccccc34)C[C@@H]2CCO)o1 ZINC000020909350 524456922 /nfs/dbraw/zinc/45/69/22/524456922.db2.gz ISZBPQXORGYBRT-SFHVURJKSA-N 1 0 353.466 3.138 50 0 FGAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000242196974 524578410 /nfs/dbraw/zinc/57/84/10/524578410.db2.gz XGQCDGDOQYJSGC-INMHGKMJSA-N 1 0 354.450 3.270 50 0 FGAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000269308375 525010603 /nfs/dbraw/zinc/01/06/03/525010603.db2.gz ZRXDSEVRMYZSLJ-GDBMZVCRSA-N 1 0 354.425 3.256 50 0 FGAARO O=C(CC[N@@H+]1CCC[C@H](c2nccn2Cc2ccccc2)C1)N1CCCC1 ZINC000082137299 526486231 /nfs/dbraw/zinc/48/62/31/526486231.db2.gz WLNDHZSIUJWBEQ-FQEVSTJZSA-N 1 0 366.509 3.123 50 0 FGAARO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091461809 526501115 /nfs/dbraw/zinc/50/11/15/526501115.db2.gz FGBHBIMKQIVVPE-VQTJNVASSA-N 1 0 367.493 3.347 50 0 FGAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccc4oc(C)cc4c3)cc2C1 ZINC000299800925 528488474 /nfs/dbraw/zinc/48/84/74/528488474.db2.gz XDOBZYGEZMZROV-UHFFFAOYSA-N 1 0 366.465 3.483 50 0 FGAARO C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)C1 ZINC000095363406 536382229 /nfs/dbraw/zinc/38/22/29/536382229.db2.gz UFTBKFHCHBHLNB-OAHLLOKOSA-N 1 0 367.896 3.250 50 0 FGAARO Cc1cccc(-c2nc3[nH]c(C[N@@H+](C)Cc4ccccc4)cc(=O)n3n2)c1 ZINC000101748062 570823314 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C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)NCc2cc(C3CC3)n[nH]2)cc1 ZINC000426431675 571224803 /nfs/dbraw/zinc/22/48/03/571224803.db2.gz AWHOPBVKGZUBLM-FQEVSTJZSA-N 1 0 367.497 3.395 50 0 FGAARO C[NH+](C)C1(CNS(=O)(=O)Cc2cc(F)ccc2Cl)CCCCC1 ZINC000670451564 571352480 /nfs/dbraw/zinc/35/24/80/571352480.db2.gz RANJFOIYRDMLDC-UHFFFAOYSA-N 1 0 362.898 3.163 50 0 FGAARO COC(=O)Cn1c2cc(Cl)ccc2cc(C[NH2+]C2CCCCC2)c1=O ZINC000012028754 695604463 /nfs/dbraw/zinc/60/44/63/695604463.db2.gz DZALOUZTEGSFHT-UHFFFAOYSA-N 1 0 362.857 3.250 50 0 FGAARO O=C(NCCCc1ccccc1)[C@@H]1CC12CC[NH+]([C@H]1CCSC1)CC2 ZINC000012279247 695605285 /nfs/dbraw/zinc/60/52/85/695605285.db2.gz WEVFDXQPCUNLKK-OALUTQOASA-N 1 0 358.551 3.343 50 0 FGAARO CC(=O)c1cc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)cs1 ZINC000036385743 695752773 /nfs/dbraw/zinc/75/27/73/695752773.db2.gz ZYQIVQZIUQVUTR-GOSISDBHSA-N 1 0 350.528 3.152 50 0 FGAARO COC[C@H]1CN(C(C)=O)CC12CC[NH+](Cc1cc(Cl)ccc1F)CC2 ZINC000169783628 705351705 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C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1cccc1C(=O)c1ccccc1 ZINC000005142456 219654586 /nfs/dbraw/zinc/65/45/86/219654586.db2.gz XTGKIKCTUBCATN-SFHVURJKSA-N 1 0 367.493 3.100 50 0 FGAARO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(OCCc3ccccn3)cc2)CC1 ZINC000299755085 223082160 /nfs/dbraw/zinc/08/21/60/223082160.db2.gz BENYVRZVHQTPSH-MRXNPFEDSA-N 1 0 354.454 3.048 50 0 FGAARO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)Nc1ccc2n[nH]cc2c1 ZINC000299764358 223086972 /nfs/dbraw/zinc/08/69/72/223086972.db2.gz RXAAEHADSQHJKD-IBGZPJMESA-N 1 0 364.453 3.307 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccco2)CC1)c1cccc(-c2ncccn2)c1 ZINC000299761801 223085406 /nfs/dbraw/zinc/08/54/06/223085406.db2.gz ZTBYOXVGBAJGIS-UHFFFAOYSA-N 1 0 362.433 3.131 50 0 FGAARO Cc1ccc([C@@H](C)CC[N@@H+]2CCn3nc(CNc4ncccn4)cc3C2)o1 ZINC000299778288 223091549 /nfs/dbraw/zinc/09/15/49/223091549.db2.gz PWZULQLBPHLLQX-HNNXBMFYSA-N 1 0 366.469 3.196 50 0 FGAARO CCn1nc(C)c(-c2cccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c2)c1C ZINC000299802140 223106056 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COc1ccccc1CC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000013718933 220089261 /nfs/dbraw/zinc/08/92/61/220089261.db2.gz WXZHDCNYXHRWMY-UHFFFAOYSA-N 1 0 370.493 3.321 50 0 FGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000014231559 220118842 /nfs/dbraw/zinc/11/88/42/220118842.db2.gz SWJZXVKVZUDTFX-CRAIPNDOSA-N 1 0 360.841 3.190 50 0 FGAARO O=C(NC1CCCCC1)[C@H]1C[NH2+]C[C@@H](COc2ccc3c(c2)CCC3)C1 ZINC000014536688 220125644 /nfs/dbraw/zinc/12/56/44/220125644.db2.gz MEPBFEWGQHGSIT-QFBILLFUSA-N 1 0 356.510 3.229 50 0 FGAARO COc1cccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1OC ZINC000015139963 220148353 /nfs/dbraw/zinc/14/83/53/220148353.db2.gz JPUVWLBERLOUJD-UHFFFAOYSA-N 1 0 354.450 3.230 50 0 FGAARO FC(F)(F)c1cccc(C[C@@H]2C[N@H+](CCCn3cccn3)CCO2)c1 ZINC000015066634 220144672 /nfs/dbraw/zinc/14/46/72/220144672.db2.gz YEOZQHWTQYMPSU-QGZVFWFLSA-N 1 0 353.388 3.236 50 0 FGAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000016603802 220187208 /nfs/dbraw/zinc/18/72/08/220187208.db2.gz 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50 0 FGAARO COc1ccc([C@@H](CNC(=O)c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000021911941 220371728 /nfs/dbraw/zinc/37/17/28/220371728.db2.gz IOFBVPBBCYDLCW-HXUWFJFHSA-N 1 0 354.450 3.271 50 0 FGAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000023361131 220425031 /nfs/dbraw/zinc/42/50/31/220425031.db2.gz QIPUWKFKYZVUBH-OAQYLSRUSA-N 1 0 365.521 3.482 50 0 FGAARO COc1ccccc1OCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027992442 220554511 /nfs/dbraw/zinc/55/45/11/220554511.db2.gz PINKDIBDMJBLIL-IBGZPJMESA-N 1 0 368.477 3.336 50 0 FGAARO COc1ccc(C[N@H+](C[C@H](O)COCc2ccccc2)CC2CC2)cc1 ZINC000036102398 220804820 /nfs/dbraw/zinc/80/48/20/220804820.db2.gz MNPSZBMKVDZMSV-NRFANRHFSA-N 1 0 355.478 3.485 50 0 FGAARO C[C@H](Oc1cccc(Cl)c1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000048354992 221010528 /nfs/dbraw/zinc/01/05/28/221010528.db2.gz GSHIUQDJBKHDKH-HNNXBMFYSA-N 1 0 373.884 3.283 50 0 FGAARO O=S(=O)(Cc1ccccc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000048265063 221004578 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COc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c(OC)c1OC ZINC000057681665 221092188 /nfs/dbraw/zinc/09/21/88/221092188.db2.gz NQTNMBXWCPROCC-MRXNPFEDSA-N 1 0 360.454 3.232 50 0 FGAARO CC[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000058014793 221097696 /nfs/dbraw/zinc/09/76/96/221097696.db2.gz YWFLYOCSPFGHQP-JOZWUWCOSA-N 1 0 351.288 3.310 50 0 FGAARO CCn1c2ccccc2c2nnc(N3CC[NH+](Cc4ccccc4)CC3)nc21 ZINC000058136983 221099694 /nfs/dbraw/zinc/09/96/94/221099694.db2.gz NYOIMFZAOVRGKN-UHFFFAOYSA-N 1 0 372.476 3.322 50 0 FGAARO O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058417990 221118573 /nfs/dbraw/zinc/11/85/73/221118573.db2.gz UXZBJMXFWMLJHN-LBPRGKRZSA-N 1 0 363.310 3.242 50 0 FGAARO Cc1ccc(-c2nc(-c3ccc4c(c3)nnn4CC[NH+](C)C)no2)cc1F ZINC000065254999 221188737 /nfs/dbraw/zinc/18/87/37/221188737.db2.gz VTYSSSMXZSIFSY-UHFFFAOYSA-N 1 0 366.400 3.157 50 0 FGAARO C[C@H]1Cc2cc(CNc3ncnc4sc5c(c43)CC[NH2+]C5)ccc2O1 ZINC000065409805 221215966 /nfs/dbraw/zinc/21/59/66/221215966.db2.gz RTVCTFHHZSTFSI-NSHDSACASA-N 1 0 352.463 3.273 50 0 FGAARO C[C@@H]1CCN(C(=O)CN2CCC[N@@H+]3CCC[C@@H]3C2)c2ccccc2S1 ZINC000065562982 221233646 /nfs/dbraw/zinc/23/36/46/221233646.db2.gz RZQHITNXDCNDHA-IAGOWNOFSA-N 1 0 359.539 3.074 50 0 FGAARO CC[N@H+](Cc1ccncc1)Cc1ccc(C(=O)Nc2ncns2)cc1 ZINC000065491244 221225988 /nfs/dbraw/zinc/22/59/88/221225988.db2.gz VEQCOTODPLHBTJ-UHFFFAOYSA-N 1 0 353.451 3.208 50 0 FGAARO C/C(=C/C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1F ZINC000065891124 221238225 /nfs/dbraw/zinc/23/82/25/221238225.db2.gz QDZYGRKOJPDVLD-ICFOKQHNSA-N 1 0 360.473 3.380 50 0 FGAARO C[C@@H](C[NH3+])C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067490108 221257262 /nfs/dbraw/zinc/25/72/62/221257262.db2.gz BJSYWMVMONJSPU-LBPRGKRZSA-N 1 0 360.841 3.028 50 0 FGAARO CN(Cc1[nH]nc2c1CCC2)c1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000067560695 221259077 /nfs/dbraw/zinc/25/90/77/221259077.db2.gz BZEISTVDTDPCCT-LJQANCHMSA-N 1 0 360.465 3.498 50 0 FGAARO Cn1cc(CCC[N@H+](C)Cc2cnc3c(-c4ccccc4)cnn3c2)cn1 ZINC000067740280 221278650 /nfs/dbraw/zinc/27/86/50/221278650.db2.gz LPPCZRMRNPVNHV-UHFFFAOYSA-N 1 0 360.465 3.194 50 0 FGAARO CC(C)Cn1cncc1CNc1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000067673021 221268633 /nfs/dbraw/zinc/26/86/33/221268633.db2.gz MRYBMKUIQNFFLR-UHFFFAOYSA-N 1 0 362.481 3.254 50 0 FGAARO CC[N@@H+]1CC[C@@H](C(=O)NCc2cccnc2Oc2ccc(F)cc2F)C1 ZINC000067676048 221268845 /nfs/dbraw/zinc/26/88/45/221268845.db2.gz PQXVCPQHIHEXFA-CQSZACIVSA-N 1 0 361.392 3.110 50 0 FGAARO CC(C)[C@H]1C=CCN1C(=O)c1cc(C[N@H+](C)CCc2ccccc2)on1 ZINC000067755453 221280180 /nfs/dbraw/zinc/28/01/80/221280180.db2.gz DRAHQPQLXHFHAM-HXUWFJFHSA-N 1 0 353.466 3.386 50 0 FGAARO Cc1cccc2[nH]c([C@@H]3CCC[N@H+](CC(C)(C)N4CCOCC4)C3)nc21 ZINC000067773609 221284569 /nfs/dbraw/zinc/28/45/69/221284569.db2.gz VTLSAXZZHMUQFF-QGZVFWFLSA-N 1 0 356.514 3.162 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H](C)c3ccccc3)cnn2c1 ZINC000067790194 221285881 /nfs/dbraw/zinc/28/58/81/221285881.db2.gz QNFLMYFMIAUKNB-HNNXBMFYSA-N 1 0 351.454 3.062 50 0 FGAARO COc1ccc(-c2nc(CN3CC[C@@H]([NH+](C)C)C3)c(C)o2)c(OC)c1C ZINC000067834237 221292159 /nfs/dbraw/zinc/29/21/59/221292159.db2.gz DDMIVGVKPQRMDI-OAHLLOKOSA-N 1 0 359.470 3.112 50 0 FGAARO CCCNC(=O)c1ccc(-c2cc3c(c(Cl)c2)O[C@H](C[NH3+])C3)s1 ZINC000067884094 221301791 /nfs/dbraw/zinc/30/17/91/221301791.db2.gz IMNJRYSIEWCLFV-LBPRGKRZSA-N 1 0 350.871 3.471 50 0 FGAARO Cc1c(NC(=O)c2ccco2)cccc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067908357 221304320 /nfs/dbraw/zinc/30/43/20/221304320.db2.gz AOZMMIZHUBCXMC-NRFANRHFSA-N 1 0 367.449 3.056 50 0 FGAARO Cc1cc(F)ccc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071419508 221347959 /nfs/dbraw/zinc/34/79/59/221347959.db2.gz DKSZVJOJIRAUSF-GOSISDBHSA-N 1 0 373.516 3.089 50 0 FGAARO COc1cc2c(cc1CN1CCC[N@H+](CC3CC3)[C@@H](C(C)C)C1)OCO2 ZINC000071746207 221358482 /nfs/dbraw/zinc/35/84/82/221358482.db2.gz MVJMXBBIFSJZJM-GOSISDBHSA-N 1 0 360.498 3.366 50 0 FGAARO COc1ccc(OC)c(-c2nc(C[NH+]3CCC([C@@H](C)O)CC3)c(C)o2)c1 ZINC000071748141 221359929 /nfs/dbraw/zinc/35/99/29/221359929.db2.gz SSPDQAGGTDRZSR-CYBMUJFWSA-N 1 0 360.454 3.260 50 0 FGAARO Cc1n[nH]c(C)c1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071749502 221360622 /nfs/dbraw/zinc/36/06/22/221360622.db2.gz KAVQDPLSBOQMTQ-HXUWFJFHSA-N 1 0 372.488 3.425 50 0 FGAARO Cc1ccc2nc(C[N@@H+]3CCC(=O)N(CC4CC4)[C@H](C(C)C)C3)cn2c1 ZINC000071760471 221367725 /nfs/dbraw/zinc/36/77/25/221367725.db2.gz GERNWONTAXNLKR-IBGZPJMESA-N 1 0 354.498 3.112 50 0 FGAARO CC(C)NC(=O)CC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071761053 221368038 /nfs/dbraw/zinc/36/80/38/221368038.db2.gz KNASIBNCXHGANI-FQEVSTJZSA-N 1 0 363.521 3.273 50 0 FGAARO Cc1cc(C)n(Cc2cccc(C(=O)N3CCC4(CC[NH2+]CC4)CC3)c2)n1 ZINC000071714721 221354865 /nfs/dbraw/zinc/35/48/65/221354865.db2.gz DUUQAPXZMDNSOX-UHFFFAOYSA-N 1 0 366.509 3.154 50 0 FGAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(F)c1 ZINC000071762244 221369359 /nfs/dbraw/zinc/36/93/59/221369359.db2.gz XBEBRQNGYCWCCN-GOSISDBHSA-N 1 0 373.516 3.089 50 0 FGAARO Cc1nc[nH]c1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071764889 221371516 /nfs/dbraw/zinc/37/15/16/221371516.db2.gz RMZOJALPMMNUGB-LJQANCHMSA-N 1 0 358.461 3.116 50 0 FGAARO Cn1c2ccccc2nc1C1CC[NH+](Cc2cccc(OCCO)c2)CC1 ZINC000072148089 221426609 /nfs/dbraw/zinc/42/66/09/221426609.db2.gz CZWXBMWVVNXEOY-UHFFFAOYSA-N 1 0 365.477 3.324 50 0 FGAARO CN(Cc1nc2ccccc2[nH]1)C(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072143622 221421202 /nfs/dbraw/zinc/42/12/02/221421202.db2.gz JMFQNHNVKFCVMO-UHFFFAOYSA-N 1 0 362.477 3.377 50 0 FGAARO COc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1OCCC[NH3+] ZINC000299768648 533405035 /nfs/dbraw/zinc/40/50/35/533405035.db2.gz OQFCRYQERSPPJC-UHFFFAOYSA-N 1 0 374.868 3.495 50 0 FGAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(c1cc(C3CC3)ncn1)CC2 ZINC000091270368 132200753 /nfs/dbraw/zinc/20/07/53/132200753.db2.gz UTNVFXZWNUWBDP-UHFFFAOYSA-N 1 0 366.513 3.087 50 0 FGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000095498028 132211973 /nfs/dbraw/zinc/21/19/73/132211973.db2.gz IQNSUWVCHFUTJM-CQSZACIVSA-N 1 0 367.419 3.243 50 0 FGAARO Cc1csc2c1ncnc2N1CCC([NH2+][C@H](C)CCn2cccn2)CC1 ZINC000095509537 132212908 /nfs/dbraw/zinc/21/29/08/132212908.db2.gz CCHLWHFUKHKFEH-OAHLLOKOSA-N 1 0 370.526 3.233 50 0 FGAARO Cc1nc2sccc2c(N2CCC([NH2+]CCc3cccnc3)CC2)n1 ZINC000095520773 132214050 /nfs/dbraw/zinc/21/40/50/132214050.db2.gz CFXALTZDITZCEZ-UHFFFAOYSA-N 1 0 353.495 3.196 50 0 FGAARO Cc1cc(N2CCC([N@@H+]3CC[C@@H](N(C)C)C3)CC2)nc(-c2ccccc2)n1 ZINC000095531494 132215362 /nfs/dbraw/zinc/21/53/62/132215362.db2.gz GSCCHNGTMDQKGA-HXUWFJFHSA-N 1 0 365.525 3.057 50 0 FGAARO Cc1cc(N2CCC([N@@H+]3CCC[C@H](O)CC3)CC2)nc(-c2ccccc2)n1 ZINC000096162221 132221404 /nfs/dbraw/zinc/22/14/04/132221404.db2.gz AZUBQGAENRFXEE-FQEVSTJZSA-N 1 0 366.509 3.268 50 0 FGAARO O=C(CC[NH+]1CCN(c2ccc(F)c(Cl)c2)CC1)Nc1cccnc1 ZINC000244882707 132291704 /nfs/dbraw/zinc/29/17/04/132291704.db2.gz XWXSRPZLESGWDQ-UHFFFAOYSA-N 1 0 362.836 3.025 50 0 FGAARO CC(C)c1nc2sc3c(ncnc3N3CC[NH2+]CC3)c2c2c1CCC2 ZINC000002418375 132383470 /nfs/dbraw/zinc/38/34/70/132383470.db2.gz DBUMLQMJHXUMEQ-UHFFFAOYSA-N 1 0 353.495 3.261 50 0 FGAARO COc1ccc(OCCC[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000003002269 132384647 /nfs/dbraw/zinc/38/46/47/132384647.db2.gz KJRYTNBQJPTGLS-UHFFFAOYSA-N 1 0 356.466 3.295 50 0 FGAARO O=C(C1=CCCC1)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055133960 136126116 /nfs/dbraw/zinc/12/61/16/136126116.db2.gz NTGXPAWSMOTIKL-FQEVSTJZSA-N 1 0 357.473 3.049 50 0 FGAARO O=C(CC1CCCC1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058198118 136130838 /nfs/dbraw/zinc/13/08/38/136130838.db2.gz JROVDCDMOFPVOC-HXUWFJFHSA-N 1 0 370.541 3.023 50 0 FGAARO CC/C=C/CC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000072149101 136142742 /nfs/dbraw/zinc/14/27/42/136142742.db2.gz ZOKHRNSFPNGXHV-VZSQWMKGSA-N 1 0 371.525 3.165 50 0 FGAARO c1[nH]c2ccccc2c1-c1nc2c(c(N3CCc4ncccc4C3)n1)C[NH2+]C2 ZINC000072162579 136143258 /nfs/dbraw/zinc/14/32/58/136143258.db2.gz BFJJMJZDIOCMQQ-UHFFFAOYSA-N 1 0 368.444 3.186 50 0 FGAARO COC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc(N3CCCC3=O)c2)CC1 ZINC000023214411 136152475 /nfs/dbraw/zinc/15/24/75/136152475.db2.gz RWHGPTXLCGFYTF-DYESRHJHSA-N 1 0 371.525 3.187 50 0 FGAARO Cc1ccc2cccc(OCC[NH2+][C@@H]3CCOC4(CCOCC4)C3)c2n1 ZINC000082166991 221708855 /nfs/dbraw/zinc/70/88/55/221708855.db2.gz OHDDNFHZXVRTQF-GOSISDBHSA-N 1 0 356.466 3.240 50 0 FGAARO Cc1nn(CCNC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)c(C)c1Cl ZINC000095361976 221861917 /nfs/dbraw/zinc/86/19/17/221861917.db2.gz VUIJCWUDKRJTSY-KRWDZBQOSA-N 1 0 360.889 3.050 50 0 FGAARO COCCc1nc([C@]2(C)CCC[NH2+]C2)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC000096136358 222039512 /nfs/dbraw/zinc/03/95/12/222039512.db2.gz IJCJUIBDKYDEGV-QGZVFWFLSA-N 1 0 368.403 3.116 50 0 FGAARO CCCn1ncc(-c2nc([C@@H]3CCOC3)nn2-c2cc[nH+]cc2C)c1C ZINC000096135843 222039609 /nfs/dbraw/zinc/03/96/09/222039609.db2.gz YIVTXFSQDLOOCE-OAHLLOKOSA-N 1 0 352.442 3.057 50 0 FGAARO CCc1oc(-c2nc(C3CCCC3)nn2CCO)cc1C[NH+]1CCCC1 ZINC000096148831 222049885 /nfs/dbraw/zinc/04/98/85/222049885.db2.gz VOELRVQCAXTMNY-UHFFFAOYSA-N 1 0 358.486 3.346 50 0 FGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1c(-c2ccccc2OC)c(C)nn1C ZINC000096161856 222062169 /nfs/dbraw/zinc/06/21/69/222062169.db2.gz CNFKTJGUGBDWIB-OAHLLOKOSA-N 1 0 371.485 3.010 50 0 FGAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Nc1cccc2nsnc21 ZINC000096180804 222069749 /nfs/dbraw/zinc/06/97/49/222069749.db2.gz XCZMAKUXPXRSLL-HNNXBMFYSA-N 1 0 367.478 3.212 50 0 FGAARO CCCc1nn(-c2ccc(OC)cc2)c(CCC)c1C(=O)NCC[NH+](C)C ZINC000096206131 222076897 /nfs/dbraw/zinc/07/68/97/222076897.db2.gz GZEWQFLFVPVWQE-UHFFFAOYSA-N 1 0 372.513 3.077 50 0 FGAARO CCCN(Cc1cc(OC)c(OC)cc1Br)C1CC[NH2+]CC1 ZINC000097019943 222152722 /nfs/dbraw/zinc/15/27/22/222152722.db2.gz QWYOLVGSSUNKNX-UHFFFAOYSA-N 1 0 371.319 3.430 50 0 FGAARO c1cnn(-c2cccc(C[N@@H+]3CCC[C@H](c4nnc5ccccn54)C3)c2)c1 ZINC000097032571 222153814 /nfs/dbraw/zinc/15/38/14/222153814.db2.gz ZRFQCTYVHGHLDH-SFHVURJKSA-N 1 0 358.449 3.295 50 0 FGAARO O=C(Nc1ccc(-c2cccc(F)c2)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000097505982 222186422 /nfs/dbraw/zinc/18/64/22/222186422.db2.gz CZGLEUGFLGNLCP-HXUWFJFHSA-N 1 0 368.456 3.004 50 0 FGAARO Cc1ccc(-c2cccc(NC(=O)N3C[C@H]([NH+](C)C)C[C@H]3CO)c2)cc1 ZINC000097594960 222195569 /nfs/dbraw/zinc/19/55/69/222195569.db2.gz ZFJGMQZTRCILTF-UXHICEINSA-N 1 0 353.466 3.191 50 0 FGAARO C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000097642263 222201423 /nfs/dbraw/zinc/20/14/23/222201423.db2.gz YUCCQKMGFHWJIX-LADRWXRNSA-N 1 0 354.498 3.437 50 0 FGAARO O=C1CCCN1C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000097785224 222213053 /nfs/dbraw/zinc/21/30/53/222213053.db2.gz FCFFGZDWACGXIL-HNNXBMFYSA-N 1 0 356.388 3.420 50 0 FGAARO COc1ccc(-c2ncc(C[NH+]3CCC(c4ccncn4)CC3)cn2)cc1 ZINC000102535773 222300035 /nfs/dbraw/zinc/30/00/35/222300035.db2.gz JBYIHCAZHXCHAP-UHFFFAOYSA-N 1 0 361.449 3.322 50 0 FGAARO COc1ccc(/C=C/CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000019781956 263376292 /nfs/dbraw/zinc/37/62/92/263376292.db2.gz GSJHFLVFTZOOGJ-PABBZOGXSA-N 1 0 366.505 3.277 50 0 FGAARO Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2F)cc1OCC[NH3+] ZINC000426662073 263653183 /nfs/dbraw/zinc/65/31/83/263653183.db2.gz HRKAOALCOLOLAB-UHFFFAOYSA-N 1 0 370.346 3.420 50 0 FGAARO CC1(C)CC(NS(=O)(=O)c2ccc3c(c2)CCCC3)CC(C)(C)[NH2+]1 ZINC000028305665 493785223 /nfs/dbraw/zinc/78/52/23/493785223.db2.gz XLJKDJLOQJAFCA-UHFFFAOYSA-N 1 0 350.528 3.153 50 0 FGAARO COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)CC3 ZINC000002129580 493801052 /nfs/dbraw/zinc/80/10/52/493801052.db2.gz BHWBAGYYZDYIQQ-HUUCEWRRSA-N 1 0 355.482 3.039 50 0 FGAARO COc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccc(OC)cc2)cc1 ZINC000002528000 493811498 /nfs/dbraw/zinc/81/14/98/493811498.db2.gz NHKPDUHWFHBOEL-UHFFFAOYSA-N 1 0 359.409 3.228 50 0 FGAARO O=C(CCc1nc2ccccc2[nH]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000029099048 493816669 /nfs/dbraw/zinc/81/66/69/493816669.db2.gz JSKSRAWFECNJLF-UHFFFAOYSA-N 1 0 362.477 3.230 50 0 FGAARO COc1ccccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccccn1 ZINC000003025923 493828740 /nfs/dbraw/zinc/82/87/40/493828740.db2.gz TVKNVBDALRMLMI-OAHLLOKOSA-N 1 0 358.511 3.412 50 0 FGAARO CC[NH+](CC)CCCOC(=O)[C@](O)(c1ccccc1)c1ccc(OC)cc1 ZINC000003097384 493831382 /nfs/dbraw/zinc/83/13/82/493831382.db2.gz ZTIROKDGAFVIQD-QFIPXVFZSA-N 1 0 371.477 3.206 50 0 FGAARO Cc1cc(=O)oc2cc(OC[C@H](O)C[NH2+]Cc3cccc(Cl)c3)ccc12 ZINC000003265014 493835157 /nfs/dbraw/zinc/83/51/57/493835157.db2.gz ZJFNDNBJADTZPK-MRXNPFEDSA-N 1 0 373.836 3.284 50 0 FGAARO COC(=O)c1sccc1NC(=S)N1CCC([NH+]2CCCCC2)CC1 ZINC000003906919 493859937 /nfs/dbraw/zinc/85/99/37/493859937.db2.gz ZBJAQBZIGOBDAF-UHFFFAOYSA-N 1 0 367.540 3.182 50 0 FGAARO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)cc1 ZINC000004320424 493872483 /nfs/dbraw/zinc/87/24/83/493872483.db2.gz OKXPRGLLRKUHLA-QGZVFWFLSA-N 1 0 363.498 3.033 50 0 FGAARO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000004899533 493899391 /nfs/dbraw/zinc/89/93/91/493899391.db2.gz GCKQVXGRLKRLHJ-IBGZPJMESA-N 1 0 370.449 3.154 50 0 FGAARO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)cc1 ZINC000005428508 493930015 /nfs/dbraw/zinc/93/00/15/493930015.db2.gz LMQDZLPSCYBUQS-SFHVURJKSA-N 1 0 367.836 3.286 50 0 FGAARO O=C(COc1ccccc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006082997 493950820 /nfs/dbraw/zinc/95/08/20/493950820.db2.gz URUHCZAXDSMGQC-UHFFFAOYSA-N 1 0 358.869 3.500 50 0 FGAARO C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000032080131 493972924 /nfs/dbraw/zinc/97/29/24/493972924.db2.gz HMKSOMBOOYQEHL-HNNXBMFYSA-N 1 0 373.884 3.498 50 0 FGAARO CC1(C)C[C@@](CC[NH2+]CCCN2CCOCC2)(c2ccccc2)CCO1 ZINC000006759043 493977814 /nfs/dbraw/zinc/97/78/14/493977814.db2.gz VSYNDVSNUJYVRB-QFIPXVFZSA-N 1 0 360.542 3.215 50 0 FGAARO Cc1cn2cc(C(=O)NCC[N@@H+]3CC[C@@H](c4ccccc4C)C3)ccc2n1 ZINC000082120272 493979196 /nfs/dbraw/zinc/97/91/96/493979196.db2.gz HJDHTQIPOIOTGV-GOSISDBHSA-N 1 0 362.477 3.170 50 0 FGAARO O=C(N[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)CC1)c1ccncc1 ZINC000082114542 493979687 /nfs/dbraw/zinc/97/96/87/493979687.db2.gz IWPZWOAUEHBCLK-MRXNPFEDSA-N 1 0 370.522 3.201 50 0 FGAARO CCOC(=O)c1[nH]c(C)c(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1C ZINC000006800478 493980463 /nfs/dbraw/zinc/98/04/63/493980463.db2.gz CPAKJZZNLNZAQJ-UHFFFAOYSA-N 1 0 371.481 3.060 50 0 FGAARO COCCN1C[C@@]2(CCC[N@H+](Cc3ccc(C)c(F)c3C)C2)CCC1=O ZINC000082161687 493981301 /nfs/dbraw/zinc/98/13/01/493981301.db2.gz CEFJZWRDPOYRNT-NRFANRHFSA-N 1 0 362.489 3.294 50 0 FGAARO CCCC[N@H+](CC)CCCNC(=O)Nc1cn(C)c(=O)c2ccccc12 ZINC000006932221 493988467 /nfs/dbraw/zinc/98/84/67/493988467.db2.gz KTGSODJGZOFTCA-UHFFFAOYSA-N 1 0 358.486 3.172 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC(F)F)cc3)cc2)CC1 ZINC000007105093 494000658 /nfs/dbraw/zinc/00/06/58/494000658.db2.gz FASINNNGIHPOET-UHFFFAOYSA-N 1 0 361.392 3.292 50 0 FGAARO Cc1ccc(-c2nnc3ccccc3c2C(=O)NCC[NH+]2CCCC2)cc1 ZINC000032952926 494032827 /nfs/dbraw/zinc/03/28/27/494032827.db2.gz PRTIKPWYLUWVJV-UHFFFAOYSA-N 1 0 360.461 3.431 50 0 FGAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)cc1Cl ZINC000077300054 494051602 /nfs/dbraw/zinc/05/16/02/494051602.db2.gz QUZRNFUMHZLSTI-QGZVFWFLSA-N 1 0 352.906 3.425 50 0 FGAARO Nc1nc2c(c(NCC[C@H](c3ccco3)c3ccc(F)cc3)n1)CC[NH2+]C2 ZINC000077303541 494051647 /nfs/dbraw/zinc/05/16/47/494051647.db2.gz QGSUZXDALUJCHV-HNNXBMFYSA-N 1 0 367.428 3.071 50 0 FGAARO COc1ccc2n[nH]c(C[N@@H+]3CCCC[C@H]3CCc3nccn3C)c2c1 ZINC000077321145 494056346 /nfs/dbraw/zinc/05/63/46/494056346.db2.gz GQAUSRPXGIRIQN-HNNXBMFYSA-N 1 0 353.470 3.292 50 0 FGAARO Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c(=O)[nH]c1C ZINC000077340971 494061395 /nfs/dbraw/zinc/06/13/95/494061395.db2.gz OYGIZHGNLXNXNU-FQEVSTJZSA-N 1 0 367.493 3.421 50 0 FGAARO C[C@H](C1CCN(Cc2c(F)ccc(F)c2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000077342892 494061801 /nfs/dbraw/zinc/06/18/01/494061801.db2.gz ABYJWIOZRIETOR-CQSZACIVSA-N 1 0 371.903 3.466 50 0 FGAARO Cc1cc(C)c2nc(C)cc(C(=O)N3CCC[C@](O)(C[NH+](C)C)CC3)c2c1 ZINC000077379054 494071215 /nfs/dbraw/zinc/07/12/15/494071215.db2.gz GZVSCSZKAGQUSM-JOCHJYFZSA-N 1 0 369.509 3.079 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000035377301 494075590 /nfs/dbraw/zinc/07/55/90/494075590.db2.gz LAWCHRQYXCFAAC-UHFFFAOYSA-N 1 0 365.433 3.061 50 0 FGAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cn(C)c3ccc(OC)cc23)CC1 ZINC000035527046 494079189 /nfs/dbraw/zinc/07/91/89/494079189.db2.gz UYIUVWADSWZUDC-OAHLLOKOSA-N 1 0 357.498 3.314 50 0 FGAARO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000077437107 494082674 /nfs/dbraw/zinc/08/26/74/494082674.db2.gz QDCBIUNUOBGBJE-FQEVSTJZSA-N 1 0 357.523 3.233 50 0 FGAARO COCCC[N@@H+](Cc1ccccc1C)C[C@@H](O)COCc1ccccc1 ZINC000036099905 494086910 /nfs/dbraw/zinc/08/69/10/494086910.db2.gz XADJKORGPGTBOL-JOCHJYFZSA-N 1 0 357.494 3.411 50 0 FGAARO COc1ccc(C[N@H+](C[C@@H](O)COCc2ccccc2)CC2CC2)cc1 ZINC000036102400 494087065 /nfs/dbraw/zinc/08/70/65/494087065.db2.gz MNPSZBMKVDZMSV-OAQYLSRUSA-N 1 0 355.478 3.485 50 0 FGAARO CCCCN1C[C@@]2(CCC[N@H+](Cc3cnc(N(C)C)s3)C2)CCC1=O ZINC000077487121 494094378 /nfs/dbraw/zinc/09/43/78/494094378.db2.gz JCERYPASHVJRLS-IBGZPJMESA-N 1 0 364.559 3.214 50 0 FGAARO Cc1ccc(OC2(C(=O)N3CCC[C@@H]3c3nccs3)CC[NH2+]CC2)cc1 ZINC000077521209 494103627 /nfs/dbraw/zinc/10/36/27/494103627.db2.gz BSFMJDVHKHDSKM-QGZVFWFLSA-N 1 0 371.506 3.316 50 0 FGAARO [NH3+]CCCCCCCNC(=O)Cc1ncc(C(F)(F)F)cc1Cl ZINC000008781834 494105527 /nfs/dbraw/zinc/10/55/27/494105527.db2.gz JTENOCHPADUPQX-UHFFFAOYSA-N 1 0 351.800 3.322 50 0 FGAARO CCOc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)cc1 ZINC000039413400 494120685 /nfs/dbraw/zinc/12/06/85/494120685.db2.gz VYIXXDRLHHVFLW-OAQYLSRUSA-N 1 0 354.494 3.154 50 0 FGAARO CCCCCc1c(C)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c1=O ZINC000009332627 494121274 /nfs/dbraw/zinc/12/12/74/494121274.db2.gz TVKDNNPIQFKBPM-UHFFFAOYSA-N 1 0 354.498 3.133 50 0 FGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)C[C@H]2CCO)cc1C ZINC000039531078 494122338 /nfs/dbraw/zinc/12/23/38/494122338.db2.gz 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494137762 /nfs/dbraw/zinc/13/77/62/494137762.db2.gz UBAZRRHMFKMMID-SFHVURJKSA-N 1 0 367.493 3.197 50 0 FGAARO Cc1ccc2cc(C[NH+]3CCN(Cc4cccc(F)c4)CC3)c(=O)[nH]c2c1 ZINC000072157339 494138302 /nfs/dbraw/zinc/13/83/02/494138302.db2.gz ZAACZUNHCXCBRO-UHFFFAOYSA-N 1 0 365.452 3.293 50 0 FGAARO CC[NH+](CC)C[C@@H](O)CSc1nnc(Nc2ccccc2C)s1 ZINC000009967889 494138403 /nfs/dbraw/zinc/13/84/03/494138403.db2.gz WBCIDFNSOHBPCQ-CYBMUJFWSA-N 1 0 352.529 3.385 50 0 FGAARO CCOC(=O)c1sc2nc(C[NH2+]C(C)C)nc(NC(C)C)c2c1C ZINC000009986852 494139343 /nfs/dbraw/zinc/13/93/43/494139343.db2.gz AYMULJLASYOFFV-UHFFFAOYSA-N 1 0 350.488 3.495 50 0 FGAARO COc1cc(C)c(C[N@H+](C)C[C@@H](O)COc2ccc(C)cc2)cc1OC ZINC000010030223 494140630 /nfs/dbraw/zinc/14/06/30/494140630.db2.gz NNBGFURXVFQTHS-GOSISDBHSA-N 1 0 359.466 3.192 50 0 FGAARO Cc1c(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cnn1C ZINC000072164901 494140967 /nfs/dbraw/zinc/14/09/67/494140967.db2.gz BJEDVQCRIMGTMR-UHFFFAOYSA-N 1 0 353.388 3.231 50 0 FGAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]C[C@H]3CCCO3)c2)cc1 ZINC000040739085 494145780 /nfs/dbraw/zinc/14/57/80/494145780.db2.gz TYYNPLMPYWPFKL-HXUWFJFHSA-N 1 0 354.450 3.281 50 0 FGAARO CC(C)Oc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000040721925 494146065 /nfs/dbraw/zinc/14/60/65/494146065.db2.gz DHFIYUOJRGCZCK-UHFFFAOYSA-N 1 0 369.494 3.331 50 0 FGAARO COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc(OC)c1OC ZINC000010328839 494150185 /nfs/dbraw/zinc/15/01/85/494150185.db2.gz CGQCHEBTJWHNBY-KRWDZBQOSA-N 1 0 372.465 3.054 50 0 FGAARO Cc1ccc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000010450791 494154410 /nfs/dbraw/zinc/15/44/10/494154410.db2.gz TUYOPVAYWLNZQE-UHFFFAOYSA-N 1 0 352.478 3.463 50 0 FGAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C(C)C)c(C)cc1OC ZINC000072414629 494167619 /nfs/dbraw/zinc/16/76/19/494167619.db2.gz NMKHRIXMMYQWKO-UHFFFAOYSA-N 1 0 356.532 3.137 50 0 FGAARO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(CO)o3)C2)CN1Cc1ccccc1 ZINC000072427839 494171459 /nfs/dbraw/zinc/17/14/59/494171459.db2.gz 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494187269 /nfs/dbraw/zinc/18/72/69/494187269.db2.gz XAZGKTVLKUNEOE-UHFFFAOYSA-N 1 0 374.466 3.200 50 0 FGAARO Cc1ccc(CNc2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)o1 ZINC000011699056 494188462 /nfs/dbraw/zinc/18/84/62/494188462.db2.gz PJVUEMYUNBMASJ-KRWDZBQOSA-N 1 0 356.470 3.199 50 0 FGAARO CN1CCC([N@@H+]2CC[C@]3(C2)CCCN(CCCc2ccccc2)C3=O)CC1 ZINC000011753556 494190017 /nfs/dbraw/zinc/19/00/17/494190017.db2.gz HDABRGQMUBWNNQ-QHCPKHFHSA-N 1 0 369.553 3.028 50 0 FGAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](CC2CC2)CC1 ZINC000011768352 494190221 /nfs/dbraw/zinc/19/02/21/494190221.db2.gz NBJLQCIDWBYYKD-UHFFFAOYSA-N 1 0 354.454 3.191 50 0 FGAARO COc1ccc(CCC(=O)NC[C@@H]2CCC3(CC[NH+](C(C)C)CC3)O2)cc1 ZINC000011909400 494195602 /nfs/dbraw/zinc/19/56/02/494195602.db2.gz ALKHXIYJDHROCX-FQEVSTJZSA-N 1 0 374.525 3.166 50 0 FGAARO Cc1c2ccccc2[nH]c1C[N@@H+](C)C[C@]1(O)CCCN(CC2CCC2)C1=O ZINC000011932677 494197387 /nfs/dbraw/zinc/19/73/87/494197387.db2.gz UKVGRRPDHYJOAL-JOCHJYFZSA-N 1 0 369.509 3.062 50 0 FGAARO Cc1ccccc1C[NH+]1CCC([C@@]2(CCC(C)C)NC(=O)NC2=O)CC1 ZINC000011998929 494199129 /nfs/dbraw/zinc/19/91/29/494199129.db2.gz BXKOFUQYPNUWAP-OAQYLSRUSA-N 1 0 357.498 3.221 50 0 FGAARO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccc2nccnc2c1 ZINC000011998495 494199454 /nfs/dbraw/zinc/19/94/54/494199454.db2.gz FYZGABTVBYQCRO-HXUWFJFHSA-N 1 0 374.488 3.457 50 0 FGAARO O=C(NCC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cn(C2CCCCC2)nn1 ZINC000012028910 494200207 /nfs/dbraw/zinc/20/02/07/494200207.db2.gz PBGACJYEYPTKPA-QFBILLFUSA-N 1 0 359.518 3.168 50 0 FGAARO COc1cccc(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1OC ZINC000012029508 494200419 /nfs/dbraw/zinc/20/04/19/494200419.db2.gz MCVULNGKDZEPMS-GOSISDBHSA-N 1 0 368.477 3.141 50 0 FGAARO C[N@H+](CCc1ccccn1)[C@H]1CCC(=O)N(CCOc2ccccc2)CC1 ZINC000012165771 494210545 /nfs/dbraw/zinc/21/05/45/494210545.db2.gz JALQJMQDYCUHJG-FQEVSTJZSA-N 1 0 367.493 3.016 50 0 FGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2cc(C)n[nH]2)C1 ZINC000012302677 494221400 /nfs/dbraw/zinc/22/14/00/494221400.db2.gz UJZXEAIAWYANSK-GOSISDBHSA-N 1 0 356.514 3.113 50 0 FGAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccnc2)CC1)C1CCCC1 ZINC000012308532 494222588 /nfs/dbraw/zinc/22/25/88/494222588.db2.gz NEEADDWSWKCDBA-UHFFFAOYSA-N 1 0 353.470 3.244 50 0 FGAARO C[C@@H]1C[N@@H+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000012418001 494231117 /nfs/dbraw/zinc/23/11/17/494231117.db2.gz UDINVXGKTWEHRM-URBSSHSUSA-N 1 0 351.531 3.080 50 0 FGAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000012445675 494233541 /nfs/dbraw/zinc/23/35/41/494233541.db2.gz XLMXLHORVWHMAD-KRWDZBQOSA-N 1 0 358.873 3.099 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)CC1 ZINC000012542420 494240030 /nfs/dbraw/zinc/24/00/30/494240030.db2.gz XWNOZHNMAFMNJI-UHFFFAOYSA-N 1 0 352.482 3.147 50 0 FGAARO COc1ccc([C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000012660277 494249116 /nfs/dbraw/zinc/24/91/16/494249116.db2.gz FHYGZGPMJTXXKZ-DLBZAZTESA-N 1 0 371.433 3.085 50 0 FGAARO Cn1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)cn1 ZINC000042888406 494251012 /nfs/dbraw/zinc/25/10/12/494251012.db2.gz ZOOALBPTFWZNDY-AWEZNQCLSA-N 1 0 357.408 3.468 50 0 FGAARO C[C@H]1SCC[N@H+](CCn2c(=O)oc3cccnc32)[C@H]1c1ccccc1 ZINC000089428272 494305116 /nfs/dbraw/zinc/30/51/16/494305116.db2.gz JGRLNJXGELFJKJ-RHSMWYFYSA-N 1 0 355.463 3.168 50 0 FGAARO CC[NH+]1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000066696926 494388048 /nfs/dbraw/zinc/38/80/48/494388048.db2.gz FXDCBDOHNPUWNF-UHFFFAOYSA-N 1 0 361.505 3.125 50 0 FGAARO CCN1C[C@@H](C[N@H+](C)Cc2ccc(C(=O)OC)cc2)Oc2ccccc21 ZINC000016423448 494390284 /nfs/dbraw/zinc/39/02/84/494390284.db2.gz GKVGSZXCDDNYHX-GOSISDBHSA-N 1 0 354.450 3.193 50 0 FGAARO COC(=O)C1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CCCC1 ZINC000079104034 494404947 /nfs/dbraw/zinc/40/49/47/494404947.db2.gz LZNGAXASOMCQHM-UHFFFAOYSA-N 1 0 354.450 3.484 50 0 FGAARO CC[C@@H](C)NC(=S)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000020153675 494468906 /nfs/dbraw/zinc/46/89/06/494468906.db2.gz DIOMXZUOZQUEFZ-OAHLLOKOSA-N 1 0 371.554 3.380 50 0 FGAARO Cc1nc(N2CCN(C(=O)C3CCCCC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021793705 494506994 /nfs/dbraw/zinc/50/69/94/494506994.db2.gz WYXNJVKSTFDRJI-UHFFFAOYSA-N 1 0 371.529 3.004 50 0 FGAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c(C)c1 ZINC000022931415 494543849 /nfs/dbraw/zinc/54/38/49/494543849.db2.gz LUPWCWBQURZBSR-LJQANCHMSA-N 1 0 373.541 3.255 50 0 FGAARO C[C@H](O)c1cn(C2CC[NH+](C/C=C/C=C/c3ccc(F)cc3)CC2)nn1 ZINC000023581379 494571469 /nfs/dbraw/zinc/57/14/69/494571469.db2.gz SEYKKULOJCQRTM-YPYLDGQHSA-N 1 0 356.445 3.377 50 0 FGAARO O=C1N(C2CCOCC2)CCC[C@]12CC[N@H+](C/C=C/c1ccccc1)C2 ZINC000091325829 494582807 /nfs/dbraw/zinc/58/28/07/494582807.db2.gz DGUVGOXCKUPGKU-YKNILIKBSA-N 1 0 354.494 3.193 50 0 FGAARO CC(=O)NCCCCCC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000046934770 494590588 /nfs/dbraw/zinc/59/05/88/494590588.db2.gz QDLQXHZCDKYBTN-GOSISDBHSA-N 1 0 373.541 3.374 50 0 FGAARO CC(C)=CC[C@]1(CO)CCC[N@H+](CCC(=O)NCc2cccs2)C1 ZINC000091548573 494614305 /nfs/dbraw/zinc/61/43/05/494614305.db2.gz PRCZHKILWAKIIR-LJQANCHMSA-N 1 0 350.528 3.185 50 0 FGAARO Cc1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)c(C)c1=O ZINC000091736548 494661197 /nfs/dbraw/zinc/66/11/97/494661197.db2.gz HIBPMSIILBSXNT-QFIPXVFZSA-N 1 0 371.525 3.139 50 0 FGAARO Fc1ccc(OCC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(Cl)c1 ZINC000091744647 494665788 /nfs/dbraw/zinc/66/57/88/494665788.db2.gz VVDLOTJWMWGDQS-CYBMUJFWSA-N 1 0 364.852 3.275 50 0 FGAARO Cc1ccc2nc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+]3CCCC3)cn2c1 ZINC000091756716 494667659 /nfs/dbraw/zinc/66/76/59/494667659.db2.gz RVGCTJNSSTVZLT-IBGZPJMESA-N 1 0 366.440 3.349 50 0 FGAARO COc1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047305132 494679032 /nfs/dbraw/zinc/67/90/32/494679032.db2.gz FTSBKOZWWFFTJN-UHFFFAOYSA-N 1 0 368.477 3.102 50 0 FGAARO O=C(c1cc(Cl)ccc1Cl)N1CCC[N@H+](CCn2cccn2)CC1 ZINC000075162608 494701112 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C[NH+]1CCN(c2ccccc2CNC(=O)Cc2cccc3ccccc32)CC1 ZINC000089382779 523928043 /nfs/dbraw/zinc/92/80/43/523928043.db2.gz WDCADHYIPXAGQS-UHFFFAOYSA-N 1 0 373.500 3.451 50 0 FGAARO COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000242284645 524117530 /nfs/dbraw/zinc/11/75/30/524117530.db2.gz YILPNLUWKUCJBY-SFTDATJTSA-N 1 0 355.478 3.280 50 0 FGAARO Cc1cc(C)n(CC2(CNC(=O)c3cccc([C@H]4CCC[NH2+]C4)c3)CC2)n1 ZINC000216471725 524513245 /nfs/dbraw/zinc/51/32/45/524513245.db2.gz OGQDOAQIOHQADZ-FQEVSTJZSA-N 1 0 366.509 3.177 50 0 FGAARO Cc1cc(Cl)cc(Cl)c1OCCCC[NH2+]CCN1CCOCC1 ZINC000020500051 524873251 /nfs/dbraw/zinc/87/32/51/524873251.db2.gz BDDCRRITLLIZHF-UHFFFAOYSA-N 1 0 361.313 3.383 50 0 FGAARO Cc1ccsc1[C@H](CNC(=O)c1cccc(Cn2cccn2)c1)[NH+](C)C ZINC000091586311 525888595 /nfs/dbraw/zinc/88/85/95/525888595.db2.gz GISKFNGAGQXFGI-SFHVURJKSA-N 1 0 368.506 3.334 50 0 FGAARO O=C1CCC2(CC[NH+](CCCCCCO)CC2)CN1Cc1ccccc1 ZINC000091351050 526964914 /nfs/dbraw/zinc/96/49/14/526964914.db2.gz 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/nfs/dbraw/zinc/11/58/56/220115856.db2.gz YXFILBRWLUSNKB-ZHACJKMWSA-N 1 0 372.472 3.030 50 0 FGAARO COc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000014246322 220119946 /nfs/dbraw/zinc/11/99/46/220119946.db2.gz SHLLSWXMTOPELH-IBGZPJMESA-N 1 0 357.450 3.020 50 0 FGAARO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]C1CCCC1)CC2 ZINC000014732772 220130436 /nfs/dbraw/zinc/13/04/36/220130436.db2.gz NPALFWRAHXHXQH-GOSISDBHSA-N 1 0 366.509 3.082 50 0 FGAARO Fc1ccccc1Cc1noc(CN2CCC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000014958467 220137261 /nfs/dbraw/zinc/13/72/61/220137261.db2.gz KRICXMAJTSLLQT-INIZCTEOSA-N 1 0 358.461 3.107 50 0 FGAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@H+](C)CC(C)C)C2 ZINC000014751631 220132204 /nfs/dbraw/zinc/13/22/04/220132204.db2.gz XCCSORLFPXDSCF-KRWDZBQOSA-N 1 0 360.546 3.364 50 0 FGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000014978179 220139243 /nfs/dbraw/zinc/13/92/43/220139243.db2.gz PRXIHNFYUKNEJT-INIZCTEOSA-N 1 0 370.522 3.418 50 0 FGAARO Cc1cc2c(cc1C[NH2+][C@@H]1CC(=O)N(CCCc3ccccc3)C1)OCO2 ZINC000015075960 220146140 /nfs/dbraw/zinc/14/61/40/220146140.db2.gz XJOLCKUBWXFJCX-LJQANCHMSA-N 1 0 366.461 3.047 50 0 FGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+]1C1Cc2ccccc2C1 ZINC000015075028 220145262 /nfs/dbraw/zinc/14/52/62/220145262.db2.gz CHROQAZMZWVOIO-JOCHJYFZSA-N 1 0 372.472 3.443 50 0 FGAARO Cc1oc(-c2cccc(C)c2)nc1CN1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000015074100 220145499 /nfs/dbraw/zinc/14/54/99/220145499.db2.gz FIHLKXJOQIYUDX-HXUWFJFHSA-N 1 0 369.509 3.380 50 0 FGAARO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccccc2F)cc1 ZINC000015359545 220152488 /nfs/dbraw/zinc/15/24/88/220152488.db2.gz WRKXMUUQPVRQGM-UHFFFAOYSA-N 1 0 350.459 3.146 50 0 FGAARO Cc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+]2CCCC2)o1 ZINC000015860464 220168826 /nfs/dbraw/zinc/16/88/26/220168826.db2.gz XVWXXTPBGDBNSY-KRWDZBQOSA-N 1 0 366.417 3.261 50 0 FGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc2ccccc2oc1=O ZINC000015859880 220168937 /nfs/dbraw/zinc/16/89/37/220168937.db2.gz UUIJLEZKTHUQBB-QGZVFWFLSA-N 1 0 366.417 3.343 50 0 FGAARO Cc1cc(C(=O)N2CC[C@@H](C3CC[NH+](CCc4ccccc4)CC3)C2)[nH]n1 ZINC000020598485 220334546 /nfs/dbraw/zinc/33/45/46/220334546.db2.gz LWBBKJAJZUXNLU-HXUWFJFHSA-N 1 0 366.509 3.135 50 0 FGAARO Cc1cc(O)c2c(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)oc2c1 ZINC000020503983 220330742 /nfs/dbraw/zinc/33/07/42/220330742.db2.gz JFBHSYSKQZBURP-UHFFFAOYSA-N 1 0 364.445 3.125 50 0 FGAARO CCOc1ccc([C@](C)(O)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020756496 220340797 /nfs/dbraw/zinc/34/07/97/220340797.db2.gz IKRGSJYJHZMUTM-VXKWHMMOSA-N 1 0 355.478 3.409 50 0 FGAARO CC(C)Cn1cc(NC(=O)NCCC[NH+]2CCCC2)c2ccccc2c1=O ZINC000020941434 220345318 /nfs/dbraw/zinc/34/53/18/220345318.db2.gz CVNQCYJXGZTRIF-UHFFFAOYSA-N 1 0 370.497 3.265 50 0 FGAARO CCCOc1c(Br)cc(C[NH2+]CCCCCO)cc1OC ZINC000020933117 220346274 /nfs/dbraw/zinc/34/62/74/220346274.db2.gz AWWAHIGQPWMSDA-UHFFFAOYSA-N 1 0 360.292 3.499 50 0 FGAARO COc1ccccc1-c1noc2ncnc(NCC[NH+]3CCC(C)CC3)c21 ZINC000021715013 220364937 /nfs/dbraw/zinc/36/49/37/220364937.db2.gz OONRNBXNDYVLRP-UHFFFAOYSA-N 1 0 367.453 3.437 50 0 FGAARO O=C(CC[NH+]1CCN(Cc2ccccc2F)CC1)Nc1ccccc1F ZINC000022199238 220378992 /nfs/dbraw/zinc/37/89/92/220378992.db2.gz MCEOPOQURYTEMN-UHFFFAOYSA-N 1 0 359.420 3.111 50 0 FGAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000022694056 220395465 /nfs/dbraw/zinc/39/54/65/220395465.db2.gz DXPRAZAYOAIYKJ-GOSISDBHSA-N 1 0 352.478 3.025 50 0 FGAARO O=C(COc1ccc(F)cc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127995 220413060 /nfs/dbraw/zinc/41/30/60/220413060.db2.gz WVNUHYFXMHDMTP-UHFFFAOYSA-N 1 0 356.441 3.233 50 0 FGAARO COc1ccc(/C=C/C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(OC)c1 ZINC000036396597 220819351 /nfs/dbraw/zinc/81/93/51/220819351.db2.gz BHASEYZJRUQJRQ-BPOBUFBUSA-N 1 0 360.498 3.344 50 0 FGAARO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000040042848 220874048 /nfs/dbraw/zinc/87/40/48/220874048.db2.gz MHXZVZILKXQPDQ-CQSZACIVSA-N 1 0 367.534 3.059 50 0 FGAARO CC1CC[NH+](CCNC(=O)c2ccccc2NC(=O)c2ccccc2)CC1 ZINC000048345902 221008559 /nfs/dbraw/zinc/00/85/59/221008559.db2.gz DGXKNMMNWSKUSL-UHFFFAOYSA-N 1 0 365.477 3.401 50 0 FGAARO CN1CC[NH+](CCCCNC(=O)CCc2cccc(Cl)c2Cl)CC1 ZINC000048192597 221000651 /nfs/dbraw/zinc/00/06/51/221000651.db2.gz DGCAYZGLOCJOEK-UHFFFAOYSA-N 1 0 372.340 3.070 50 0 FGAARO CC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000048270798 221003914 /nfs/dbraw/zinc/00/39/14/221003914.db2.gz XNABVOAPDBEZDW-KRWDZBQOSA-N 1 0 360.483 3.439 50 0 FGAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)c1 ZINC000055120502 221059897 /nfs/dbraw/zinc/05/98/97/221059897.db2.gz AOBVKDGJMVBXLM-INIZCTEOSA-N 1 0 351.406 3.326 50 0 FGAARO COCCN(Cc1cccs1)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055244823 221063602 /nfs/dbraw/zinc/06/36/02/221063602.db2.gz FIKDTSOJNNIHEP-INIZCTEOSA-N 1 0 362.495 3.228 50 0 FGAARO CCOC(=O)c1ccc(NC2CC[NH+](Cc3ccccc3OC)CC2)nc1 ZINC000054125278 221050392 /nfs/dbraw/zinc/05/03/92/221050392.db2.gz ZHYVPCIJNPWHGC-UHFFFAOYSA-N 1 0 369.465 3.343 50 0 FGAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CSCc2ccncc2)C1 ZINC000054227948 221050965 /nfs/dbraw/zinc/05/09/65/221050965.db2.gz KCGGXTFLMCOWCB-LPHOPBHVSA-N 1 0 355.507 3.267 50 0 FGAARO COc1ccc(OCC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000054226333 221051197 /nfs/dbraw/zinc/05/11/97/221051197.db2.gz HGLNKRHPTFOUTI-AEFFLSMTSA-N 1 0 354.450 3.026 50 0 FGAARO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](C2CCCCCC2)CC1 ZINC000055009910 221056834 /nfs/dbraw/zinc/05/68/34/221056834.db2.gz RJBNYCKVNZUKBT-UHFFFAOYSA-N 1 0 356.919 3.369 50 0 FGAARO CCC(=O)Nc1ccc(NC(=O)C[C@H]2C[N@@H+](C(C)C)CCO2)cc1Cl ZINC000055393074 221068072 /nfs/dbraw/zinc/06/80/72/221068072.db2.gz XCCVIFVRAFDZFL-AWEZNQCLSA-N 1 0 367.877 3.126 50 0 FGAARO CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000058198462 221105109 /nfs/dbraw/zinc/10/51/09/221105109.db2.gz JPZHNZGJQXJSIS-HNNXBMFYSA-N 1 0 369.465 3.076 50 0 FGAARO CCc1nc(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)sc1C ZINC000060360276 221130006 /nfs/dbraw/zinc/13/00/06/221130006.db2.gz OWZVIXJIFFPIQG-SFHVURJKSA-N 1 0 357.523 3.337 50 0 FGAARO Fc1ccc(Oc2ccc(C[NH2+]C[C@@H]3CNc4ccnn4C3)cn2)cc1 ZINC000058307662 221113448 /nfs/dbraw/zinc/11/34/48/221113448.db2.gz YCOGBPLKRLAWMJ-OAHLLOKOSA-N 1 0 353.401 3.041 50 0 FGAARO Cc1c(C[N@@H+](C)[C@@H](C)Cc2cc(C)ccn2)c2ccccc2n1CC(N)=O ZINC000063832435 221143924 /nfs/dbraw/zinc/14/39/24/221143924.db2.gz ZOLUDCBEWSZEMQ-INIZCTEOSA-N 1 0 364.493 3.201 50 0 FGAARO C[NH+](C)CCCc1nc(-c2ccccc2)nn1-c1ccc2c(c1)OCO2 ZINC000063871921 221144487 /nfs/dbraw/zinc/14/44/87/221144487.db2.gz ROLOJHZXAHMOIY-UHFFFAOYSA-N 1 0 350.422 3.157 50 0 FGAARO CC[NH+](CC)CCNC(=O)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967866 221158753 /nfs/dbraw/zinc/15/87/53/221158753.db2.gz JIYNTSGRCSMQAT-UHFFFAOYSA-N 1 0 351.450 3.490 50 0 FGAARO CC(C)[NH+]1CCC(CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000065405519 221213198 /nfs/dbraw/zinc/21/31/98/221213198.db2.gz JVFKPEIAYDAKBC-UHFFFAOYSA-N 1 0 358.526 3.362 50 0 FGAARO Cc1ccc(-c2nc(N3CC[C@H]([NH+](C)C)C3)ncc2-c2cncnc2)cc1 ZINC000065490420 221225948 /nfs/dbraw/zinc/22/59/48/221225948.db2.gz JGWXAIXHTBIBOP-SFHVURJKSA-N 1 0 360.465 3.049 50 0 FGAARO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)[NH+](C)C ZINC000065496533 221227485 /nfs/dbraw/zinc/22/74/85/221227485.db2.gz IMQKUMRGMLYSFB-MAUKXSAKSA-N 1 0 366.937 3.052 50 0 FGAARO O=C(Nc1ccc2c(c1)CCC2=O)c1ccc(C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000065532646 221233032 /nfs/dbraw/zinc/23/30/32/221233032.db2.gz MRZWDTIBAJTXIE-IBGZPJMESA-N 1 0 364.445 3.025 50 0 FGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000065565320 221233377 /nfs/dbraw/zinc/23/33/77/221233377.db2.gz DRYTVWSNVROCEJ-MOPGFXCFSA-N 1 0 368.481 3.313 50 0 FGAARO O=C(c1cc(=O)c2ccccc2[nH]1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000067642705 221265263 /nfs/dbraw/zinc/26/52/63/221265263.db2.gz QTBFBSIMNDZMGA-MRXNPFEDSA-N 1 0 353.466 3.009 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc(C)c(C)c3)cnn2c1 ZINC000067654989 221265933 /nfs/dbraw/zinc/26/59/33/221265933.db2.gz RNBAFZHMFQHIBX-UHFFFAOYSA-N 1 0 351.454 3.440 50 0 FGAARO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cc1 ZINC000067588576 221260954 /nfs/dbraw/zinc/26/09/54/221260954.db2.gz KWRPMIAAIDHIOY-FCHUYYIVSA-N 1 0 360.457 3.289 50 0 FGAARO O=C(Nc1ccnn1C1CC[NH+](CC[C@H]2CCOC2)CC1)c1ccccc1 ZINC000067697057 221273905 /nfs/dbraw/zinc/27/39/05/221273905.db2.gz AKEDRJVGBJHBDF-KRWDZBQOSA-N 1 0 368.481 3.199 50 0 FGAARO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]C(C)(C)c3ccccc3)C2=O)c1 ZINC000067755470 221280757 /nfs/dbraw/zinc/28/07/57/221280757.db2.gz YNSGXRWRLDRPQH-HSZRJFAPSA-N 1 0 366.505 3.373 50 0 FGAARO O=C(NCc1cccnc1Oc1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000067756630 221281460 /nfs/dbraw/zinc/28/14/60/221281460.db2.gz DHFDHBJURCGPDX-CYBMUJFWSA-N 1 0 361.392 3.158 50 0 FGAARO COc1ccccc1C[NH2+]C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067785056 221284023 /nfs/dbraw/zinc/28/40/23/221284023.db2.gz VLSZJETWVMDGBS-QFIPXVFZSA-N 1 0 374.525 3.109 50 0 FGAARO C[C@H](C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1)[NH+](C)C ZINC000067789261 221285906 /nfs/dbraw/zinc/28/59/06/221285906.db2.gz MSCGDPZPMDWXKF-CYBMUJFWSA-N 1 0 374.868 3.384 50 0 FGAARO O=c1n(C/C=C/c2ccccc2)nc([C@@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000067847413 221293761 /nfs/dbraw/zinc/29/37/61/221293761.db2.gz IYGGAMZLJIKGAG-UFUQCMIWSA-N 1 0 360.461 3.214 50 0 FGAARO CCCO[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3nncs3)c2)C1 ZINC000067855340 221294903 /nfs/dbraw/zinc/29/49/03/221294903.db2.gz JCSLEAWRVMJVPJ-MRXNPFEDSA-N 1 0 360.483 3.181 50 0 FGAARO COc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cn1cccn1 ZINC000067855584 221295540 /nfs/dbraw/zinc/29/55/40/221295540.db2.gz ALSODGUBFFITMP-FPOVZHCZSA-N 1 0 355.482 3.067 50 0 FGAARO CCCN(C(=O)NC[C@@H]1CCCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000069432427 221325121 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CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3OC)cc2)CC1 ZINC000005247214 493921487 /nfs/dbraw/zinc/92/14/87/493921487.db2.gz ASJOPXKQEIORAZ-MDWZMJQESA-N 1 0 365.477 3.489 50 0 FGAARO Cc1ccn2c(=O)cc(C[N@H+](C)Cc3ccc(OC(F)F)cc3)nc2c1 ZINC000006586271 493969185 /nfs/dbraw/zinc/96/91/85/493969185.db2.gz FYDJEFDHOQTTLB-UHFFFAOYSA-N 1 0 359.376 3.236 50 0 FGAARO COCC[NH2+]C[C@H]1[C@@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1 ZINC000006769656 493978740 /nfs/dbraw/zinc/97/87/40/493978740.db2.gz TWWVKUGXWDQJDU-RBUKOAKNSA-N 1 0 374.868 3.047 50 0 FGAARO COCC[NH2+]C[C@@H]1[C@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1 ZINC000006769650 493978994 /nfs/dbraw/zinc/97/89/94/493978994.db2.gz TWWVKUGXWDQJDU-MOPGFXCFSA-N 1 0 374.868 3.047 50 0 FGAARO CC(C)c1noc([C@H]2CCCN2C(=O)C2CC[NH+](Cc3ccco3)CC2)n1 ZINC000082126464 493979853 /nfs/dbraw/zinc/97/98/53/493979853.db2.gz JEMSPYSZBBJBSW-QGZVFWFLSA-N 1 0 372.469 3.362 50 0 FGAARO CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)NC3CCCCC3)c2C)C1 ZINC000069564931 493982441 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CC[NH+]1CCN(c2ccccc2NC(=O)Cc2ccc(C)c(OC)c2)CC1 ZINC000032847902 494022016 /nfs/dbraw/zinc/02/20/16/494022016.db2.gz FXAGTIJQHZOWDK-UHFFFAOYSA-N 1 0 367.493 3.327 50 0 FGAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(N2CCOCC2)cc1 ZINC000007620740 494031087 /nfs/dbraw/zinc/03/10/87/494031087.db2.gz CJXWKOBVXYHPAF-GOSISDBHSA-N 1 0 371.506 3.360 50 0 FGAARO O=C(c1cnc(C2CC2)nc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000077287782 494049149 /nfs/dbraw/zinc/04/91/49/494049149.db2.gz VPGKDPOYRBUJCT-UHFFFAOYSA-N 1 0 366.509 3.081 50 0 FGAARO COc1cccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000063561634 494064972 /nfs/dbraw/zinc/06/49/72/494064972.db2.gz PCKGTCJDYPCGEU-IAGOWNOFSA-N 1 0 368.477 3.234 50 0 FGAARO CC(C)c1nnsc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077385957 494073520 /nfs/dbraw/zinc/07/35/20/494073520.db2.gz JJQOXQHNKHMDGP-LJQANCHMSA-N 1 0 362.543 3.276 50 0 FGAARO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+]Cc2ccc(OC)cc2)c1C ZINC000008187872 494075027 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CCOc1cc(C[N@H+](C)C2CCCCC2)nc2nc(C(F)(F)F)nn21 ZINC000084805150 494098368 /nfs/dbraw/zinc/09/83/68/494098368.db2.gz ZJIQSDDMMCLJCY-UHFFFAOYSA-N 1 0 357.380 3.306 50 0 FGAARO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000008940596 494109393 /nfs/dbraw/zinc/10/93/93/494109393.db2.gz BVFFUUMYOHQQQW-WBVHZDCISA-N 1 0 355.482 3.405 50 0 FGAARO CN(C)c1cccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000038584473 494114900 /nfs/dbraw/zinc/11/49/00/494114900.db2.gz DTPYRICFHFJYOO-UHFFFAOYSA-N 1 0 357.523 3.456 50 0 FGAARO Cc1cc(=O)n2c(n1)NC(=[NH+]C1CCCCC1)N[C@@H]2c1ccc(Cl)cc1 ZINC000009196230 494117809 /nfs/dbraw/zinc/11/78/09/494117809.db2.gz GSMLVTQTEOZZND-KRWDZBQOSA-N 1 0 371.872 3.456 50 0 FGAARO COc1cccc2cc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CCO3)oc21 ZINC000039979589 494124953 /nfs/dbraw/zinc/12/49/53/494124953.db2.gz SESQNEMBDDULTP-FQEVSTJZSA-N 1 0 366.461 3.432 50 0 FGAARO Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCC[NH+]1CCCCC1 ZINC000039985003 494125607 /nfs/dbraw/zinc/12/56/07/494125607.db2.gz WYUMCTVDVKHRTQ-UHFFFAOYSA-N 1 0 354.498 3.154 50 0 FGAARO C[N@H+](CCOc1ccc(F)cc1)CCC(=O)Nc1ccnn1C1CCCC1 ZINC000040025021 494127107 /nfs/dbraw/zinc/12/71/07/494127107.db2.gz UTVAGCLPYBXVTI-UHFFFAOYSA-N 1 0 374.460 3.477 50 0 FGAARO COc1ccc(OC)c(CC(=O)N[C@H]2CC[C@H]2[NH2+]C2CCCCCC2)c1 ZINC000072127467 494129574 /nfs/dbraw/zinc/12/95/74/494129574.db2.gz BGLDBZNSUAOJGN-MOPGFXCFSA-N 1 0 360.498 3.206 50 0 FGAARO COc1cc2c(cc1C[NH2+]C1CCN(C(=O)c3ccco3)CC1)O[C@H](C)C2 ZINC000040091403 494130918 /nfs/dbraw/zinc/13/09/18/494130918.db2.gz UTPRZKVBBZMCEH-CQSZACIVSA-N 1 0 370.449 3.006 50 0 FGAARO COc1cccc2c1OCC(C[N@@H+]1CCC[C@@H](Cn3ccnc3C)C1)=C2 ZINC000072149673 494134827 /nfs/dbraw/zinc/13/48/27/494134827.db2.gz XVECNADRFFHQES-QGZVFWFLSA-N 1 0 353.466 3.388 50 0 FGAARO O=C(c1ccc(F)cc1)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651565 494135268 /nfs/dbraw/zinc/13/52/68/494135268.db2.gz KTMVVXNZILLJMK-UHFFFAOYSA-N 1 0 355.409 3.396 50 0 FGAARO COc1ccccc1C(=O)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651532 494136009 /nfs/dbraw/zinc/13/60/09/494136009.db2.gz RHOWKFXVKCISRO-UHFFFAOYSA-N 1 0 367.445 3.265 50 0 FGAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000009917108 494136610 /nfs/dbraw/zinc/13/66/10/494136610.db2.gz ZFIIRKIJCWSMRH-UHFFFAOYSA-N 1 0 351.450 3.027 50 0 FGAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccsc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000040154240 494137402 /nfs/dbraw/zinc/13/74/02/494137402.db2.gz ZXCVUPYWMBVWHZ-INIZCTEOSA-N 1 0 356.451 3.083 50 0 FGAARO C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000040154166 494137449 /nfs/dbraw/zinc/13/74/49/494137449.db2.gz JYDMSHFQDNAMBU-HNNXBMFYSA-N 1 0 355.438 3.023 50 0 FGAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCCN(Cc2ccncc2)CC1 ZINC000072161577 494139220 /nfs/dbraw/zinc/13/92/20/494139220.db2.gz AROVZIUHKDOWDE-UHFFFAOYSA-N 1 0 361.493 3.284 50 0 FGAARO c1coc(-c2ncc(C[N@H+]3CCC[C@H](OCc4cccnc4)C3)cn2)c1 ZINC000072164046 494141119 /nfs/dbraw/zinc/14/11/19/494141119.db2.gz SNGQRIUVNARYTH-SFHVURJKSA-N 1 0 350.422 3.313 50 0 FGAARO Cn1ncc2c1nc(C(C)(C)C)nc2N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000072169759 494143486 /nfs/dbraw/zinc/14/34/86/494143486.db2.gz LLNKHGQTRLOPRY-INIZCTEOSA-N 1 0 352.486 3.376 50 0 FGAARO Cn1c(C(=O)Nc2cccc(CN3CCOCC3)c2)cc2sccc21 ZINC000040786270 494145981 /nfs/dbraw/zinc/14/59/81/494145981.db2.gz DFTUDFHBKPYGDZ-UHFFFAOYSA-N 1 0 355.463 3.324 50 0 FGAARO C[C@@H]1CCCN(C(=O)c2nn(CC[NH+]3CCCCC3)c3ccccc32)C1 ZINC000064761065 494147672 /nfs/dbraw/zinc/14/76/72/494147672.db2.gz VBVLPKGRINGHAM-QGZVFWFLSA-N 1 0 354.498 3.394 50 0 FGAARO COc1cc(O)ccc1CN1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072407826 494165252 /nfs/dbraw/zinc/16/52/52/494165252.db2.gz VLLKNQGKDFWYOX-FQEVSTJZSA-N 1 0 352.478 3.076 50 0 FGAARO CCc1nc(CNc2nc(-c3ccco3)nc3c2CC[NH2+]CC3)cs1 ZINC000072407146 494165893 /nfs/dbraw/zinc/16/58/93/494165893.db2.gz DJKDEENEUAYABQ-UHFFFAOYSA-N 1 0 355.467 3.056 50 0 FGAARO COCCCN1C[C@]2(CCC[N@H+](Cc3cc(F)ccc3C)C2)CCC1=O ZINC000072411635 494166487 /nfs/dbraw/zinc/16/64/87/494166487.db2.gz ODARLMJEJRBVJQ-OAQYLSRUSA-N 1 0 362.489 3.375 50 0 FGAARO Cc1nn(C)c2nc(C)nc(NCC[N@@H+]3CC[C@@H](c4ccccc4C)C3)c12 ZINC000072420288 494168836 /nfs/dbraw/zinc/16/88/36/494168836.db2.gz CWJAPUXFSWFDEQ-QGZVFWFLSA-N 1 0 364.497 3.190 50 0 FGAARO Cc1cc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)oc1C ZINC000072421324 494169096 /nfs/dbraw/zinc/16/90/96/494169096.db2.gz CFVOMMLKZISOID-GOSISDBHSA-N 1 0 371.529 3.390 50 0 FGAARO Cc1nc2c(c(NCc3csc(-c4cccs4)n3)n1)CC[NH2+]CC2 ZINC000072423039 494169639 /nfs/dbraw/zinc/16/96/39/494169639.db2.gz SLYULBZOTGIWIC-UHFFFAOYSA-N 1 0 357.508 3.270 50 0 FGAARO Cc1ncc2c(c1CNC(=O)c1cccc(-c3ccc(O)cc3)c1)CC[NH2+]C2 ZINC000072433113 494173567 /nfs/dbraw/zinc/17/35/67/494173567.db2.gz NFFXEPJYXSNWMX-UHFFFAOYSA-N 1 0 373.456 3.338 50 0 FGAARO COc1ccc(NC(=O)c2nc(C)n(C3CC[NH+](C)CC3)c2C)cc1OC ZINC000065257231 494183519 /nfs/dbraw/zinc/18/35/19/494183519.db2.gz PLDDREYRUOWRKG-UHFFFAOYSA-N 1 0 372.469 3.036 50 0 FGAARO CN(C(=O)CCc1ccccn1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011668165 494185890 /nfs/dbraw/zinc/18/58/90/494185890.db2.gz LRLGOGOWSDCTJR-NRFANRHFSA-N 1 0 363.505 3.104 50 0 FGAARO C[C@@H]1CN(c2ccc(-c3nc(-c4ccccc4F)no3)cn2)CC[N@@H+]1C ZINC000011773070 494190805 /nfs/dbraw/zinc/19/08/05/494190805.db2.gz ZKZNZSVXYHNIOS-CYBMUJFWSA-N 1 0 353.401 3.078 50 0 FGAARO CC[N@H+](C[C@H]1CCCN(CCc2cccc(F)c2)C1)CC(C)(C)CO ZINC000011771796 494191374 /nfs/dbraw/zinc/19/13/74/494191374.db2.gz AFOLTFSNXSDOSU-LJQANCHMSA-N 1 0 350.522 3.421 50 0 FGAARO C[C@@H](Cc1cccnc1)[N@@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000011816700 494192065 /nfs/dbraw/zinc/19/20/65/494192065.db2.gz HXCYVSZYYZOFIQ-AWEZNQCLSA-N 1 0 363.417 3.455 50 0 FGAARO COc1cccc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@H+]24)c1OC ZINC000011879810 494195014 /nfs/dbraw/zinc/19/50/14/494195014.db2.gz KLIRHTVAZSMUGW-VPKVUBIPSA-N 1 0 370.493 3.384 50 0 FGAARO C[NH+](C)C1(CNC(=O)c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000011915229 494197264 /nfs/dbraw/zinc/19/72/64/494197264.db2.gz KETKYTPAYSNAPK-UHFFFAOYSA-N 1 0 351.494 3.013 50 0 FGAARO O=C(CCc1ccco1)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011936918 494198034 /nfs/dbraw/zinc/19/80/34/494198034.db2.gz BIRVRHVUXJRJPL-FQEVSTJZSA-N 1 0 367.493 3.368 50 0 FGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccoc2)C1 ZINC000012201604 494213470 /nfs/dbraw/zinc/21/34/70/494213470.db2.gz KQVPWOQPVBBECS-QGZVFWFLSA-N 1 0 356.466 3.315 50 0 FGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cc(C)on2)CC1 ZINC000012297180 494219846 /nfs/dbraw/zinc/21/98/46/494219846.db2.gz MMAIOUDPKWNLCA-UHFFFAOYSA-N 1 0 371.481 3.018 50 0 FGAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CC[N@H+](Cc1cccnc1)C2 ZINC000012304185 494221566 /nfs/dbraw/zinc/22/15/66/494221566.db2.gz YQFUCWXDQYMOQI-OAQYLSRUSA-N 1 0 371.431 3.375 50 0 FGAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3cc(CC(C)C)n[nH]3)C2)c1 ZINC000012306905 494221674 /nfs/dbraw/zinc/22/16/74/494221674.db2.gz BQFJRBFVZJIGIA-JOCHJYFZSA-N 1 0 371.525 3.434 50 0 FGAARO CSCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012315216 494223312 /nfs/dbraw/zinc/22/33/12/494223312.db2.gz DFXUXLAPWNTPCT-MRXNPFEDSA-N 1 0 354.947 3.416 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc4c(s3)CCCCC4)cn2)CC1 ZINC000012613555 494247506 /nfs/dbraw/zinc/24/75/06/494247506.db2.gz VARRNCBEKPZCIO-UHFFFAOYSA-N 1 0 370.522 3.416 50 0 FGAARO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000013648998 494292603 /nfs/dbraw/zinc/29/26/03/494292603.db2.gz LLRKTXUQVZVSAI-CQSZACIVSA-N 1 0 374.934 3.282 50 0 FGAARO C[NH+](C)CCNC(=O)c1ccc(NC(=O)CSC(C)(C)C)cc1Cl ZINC000089694463 494345206 /nfs/dbraw/zinc/34/52/06/494345206.db2.gz QMBBYOKBWQQTKC-UHFFFAOYSA-N 1 0 371.934 3.102 50 0 FGAARO C[C@@H](CN(C)C(=O)c1ccc(NC(=O)C2CCC2)cc1)C[NH+]1CCCC1 ZINC000055568739 494363001 /nfs/dbraw/zinc/36/30/01/494363001.db2.gz QIENEUHECOTTBG-INIZCTEOSA-N 1 0 357.498 3.229 50 0 FGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000044571942 494366398 /nfs/dbraw/zinc/36/63/98/494366398.db2.gz FZBKQMSWNAYHIR-OAHLLOKOSA-N 1 0 364.852 3.187 50 0 FGAARO CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(O)cc1 ZINC000045067874 494395155 /nfs/dbraw/zinc/39/51/55/494395155.db2.gz YQHYFCYFVOWJRU-QGZVFWFLSA-N 1 0 357.479 3.473 50 0 FGAARO COc1ccc([N+]2=C3SCCN3[C@@H](C)[C@@]2(O)c2ccccc2)c(F)c1 ZINC000019911094 494463464 /nfs/dbraw/zinc/46/34/64/494463464.db2.gz ZTWSSOWLZWFFEK-ORAYPTAESA-N 1 0 359.446 3.003 50 0 FGAARO O[C@H](C[NH+]1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000020218784 494469991 /nfs/dbraw/zinc/46/99/91/494469991.db2.gz PRRTWFYLGGURKN-GOSISDBHSA-N 1 0 361.283 3.305 50 0 FGAARO O=C(NC1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1)c1ccccc1 ZINC000046054761 494490984 /nfs/dbraw/zinc/49/09/84/494490984.db2.gz AVKKKIMIASXZIT-IBGZPJMESA-N 1 0 358.869 3.268 50 0 FGAARO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000046088212 494494663 /nfs/dbraw/zinc/49/46/63/494494663.db2.gz YKZBKQDRQYBSMO-IEBWSBKVSA-N 1 0 360.479 3.283 50 0 FGAARO O=S(=O)(CCc1ccccc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127649 494551317 /nfs/dbraw/zinc/55/13/17/494551317.db2.gz KNWMHPWULAMTBP-UHFFFAOYSA-N 1 0 372.534 3.061 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)CC1 ZINC000023134035 494551510 /nfs/dbraw/zinc/55/15/10/494551510.db2.gz NBKLYLVMXOBEMI-UHFFFAOYSA-N 1 0 362.477 3.491 50 0 FGAARO O=C(Nc1ccccc1CN1CCOCC1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023158474 494554664 /nfs/dbraw/zinc/55/46/64/494554664.db2.gz LQVFZWYDYZLBCQ-QGZVFWFLSA-N 1 0 371.506 3.257 50 0 FGAARO Cc1cc(C)n(CCC[N@@H+](C)[C@@H]2CCCN(C3Cc4ccccc4C3)C2)n1 ZINC000023361340 494563374 /nfs/dbraw/zinc/56/33/74/494563374.db2.gz PSVRFBSIHHHJMJ-JOCHJYFZSA-N 1 0 366.553 3.454 50 0 FGAARO C[N@H+](CCO)Cc1cccc(-c2nc(-c3ccc(Cl)cc3)cc(=O)[nH]2)c1 ZINC000023367082 494563465 /nfs/dbraw/zinc/56/34/65/494563465.db2.gz JABAXBQRCGKUKS-UHFFFAOYSA-N 1 0 369.852 3.181 50 0 FGAARO O=C(c1ccc2ccccc2c1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091548564 494614403 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Cc1cccn2c(C[NH+]3CCC(NC(=O)C4CCCCC4)CC3)cnc12 ZINC000092644770 494694282 /nfs/dbraw/zinc/69/42/82/494694282.db2.gz AGGMPLCDHZYLKT-UHFFFAOYSA-N 1 0 354.498 3.304 50 0 FGAARO Cc1c2ccccc2sc1C(=O)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091831004 494696317 /nfs/dbraw/zinc/69/63/17/494696317.db2.gz JVWHQFYWVYNZKQ-IAGOWNOFSA-N 1 0 372.534 3.376 50 0 FGAARO Cn1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)cc2ccccc21 ZINC000091895982 494717175 /nfs/dbraw/zinc/71/71/75/494717175.db2.gz NTSUKAZYDBEORI-AZUAARDMSA-N 1 0 374.488 3.196 50 0 FGAARO CCOC(=O)Nc1cccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000025331060 494723040 /nfs/dbraw/zinc/72/30/40/494723040.db2.gz BIYRHNHEUGQODA-MRXNPFEDSA-N 1 0 361.467 3.349 50 0 FGAARO CC(C)n1ncc2cc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cnc21 ZINC000025331722 494724138 /nfs/dbraw/zinc/72/41/38/494724138.db2.gz GFHZVYRUWCCKKT-INIZCTEOSA-N 1 0 357.483 3.106 50 0 FGAARO CCCN1CCC[C@@]2(CC[N@H+](Cc3nnc(-c4cccc(F)c4)o3)C2)C1=O ZINC000091965887 494738858 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Cc1nnc(SCCC[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)s1 ZINC000952966315 762537268 /nfs/dbraw/zinc/53/72/68/762537268.db2.gz VHWDVIORISNKCS-AWEZNQCLSA-N 1 0 352.504 3.336 50 0 FGAARO Cc1ccsc1[C@H](CNC(=O)CCn1cnc2ccccc21)[NH+](C)C ZINC000952975233 762537784 /nfs/dbraw/zinc/53/77/84/762537784.db2.gz MMCWBMKDGQVGTE-KRWDZBQOSA-N 1 0 356.495 3.215 50 0 FGAARO CC(C)C[C@H]([NH3+])c1nc(COc2cccc(Cl)c2)nn1CC(C)(C)O ZINC000952975232 762537991 /nfs/dbraw/zinc/53/79/91/762537991.db2.gz CRSGERVXDKSBLV-HNNXBMFYSA-N 1 0 366.893 3.327 50 0 FGAARO CSCCN1CC[NH+](C2CCN(c3ccc(F)cc3C)CC2)CC1 ZINC000952980984 762540034 /nfs/dbraw/zinc/54/00/34/762540034.db2.gz MZHOEDZSSUQXDH-UHFFFAOYSA-N 1 0 351.535 3.084 50 0 FGAARO COc1ccc(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCC2)cc1 ZINC000220982945 222722450 /nfs/dbraw/zinc/72/24/50/222722450.db2.gz VRQALVJSNKWPQB-UHFFFAOYSA-N 1 0 364.449 3.393 50 0 FGAARO O=C(NC[C@@H]1CCCO1)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000000778763 219319420 /nfs/dbraw/zinc/31/94/20/219319420.db2.gz GWLLMJMRWLRMGC-FQEVSTJZSA-N 1 0 352.478 3.347 50 0 FGAARO CC[NH+](CC)C[C@@H](O)CN1CCn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000000978746 219349038 /nfs/dbraw/zinc/34/90/38/219349038.db2.gz NHQPDZJOVULUOU-UTKZUKDTSA-N 1 0 355.526 3.345 50 0 FGAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C/c2cc(Br)ccc2F)C1 ZINC000237307683 222907143 /nfs/dbraw/zinc/90/71/43/222907143.db2.gz QRWNNCKHVOIPHE-RPTYSRGTSA-N 1 0 355.251 3.059 50 0 FGAARO O=C(c1cccc(-c2cccc(Cl)c2)c1)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000299773062 223090184 /nfs/dbraw/zinc/09/01/84/223090184.db2.gz COYXXCMNRRNUCA-RXVVDRJESA-N 1 0 370.880 3.194 50 0 FGAARO Cc1nccn1[C@H](C)CC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000299796809 223101740 /nfs/dbraw/zinc/10/17/40/223101740.db2.gz QUMWDCNJKWODGJ-QGZVFWFLSA-N 1 0 366.509 3.192 50 0 FGAARO COCCOC1CC[NH+](Cc2cn(C)nc2-c2cccc(Cl)c2)CC1 ZINC000012591458 220011146 /nfs/dbraw/zinc/01/11/46/220011146.db2.gz UZFFTAGIZXCXIK-UHFFFAOYSA-N 1 0 363.889 3.368 50 0 FGAARO CC(=O)c1cc(CC(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)cs1 ZINC000012718575 220020726 /nfs/dbraw/zinc/02/07/26/220020726.db2.gz QAGZPCQGVCTIBY-IBGZPJMESA-N 1 0 370.518 3.317 50 0 FGAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2ocnc2C)cc1 ZINC000012704308 220018372 /nfs/dbraw/zinc/01/83/72/220018372.db2.gz HVCPTPJKWMNOAR-UHFFFAOYSA-N 1 0 371.481 3.018 50 0 FGAARO CSCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012704487 220018597 /nfs/dbraw/zinc/01/85/97/220018597.db2.gz WMFRZXAUSOOKPT-GOSISDBHSA-N 1 0 354.466 3.142 50 0 FGAARO CC(C)[NH+](CCNC(=O)COc1ccc(Br)cc1)C(C)C ZINC000013010797 220052675 /nfs/dbraw/zinc/05/26/75/220052675.db2.gz MDXURXXYPDCQRI-UHFFFAOYSA-N 1 0 357.292 3.063 50 0 FGAARO COc1cc(C[NH2+]CC(C)C)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717756 220089588 /nfs/dbraw/zinc/08/95/88/220089588.db2.gz LMEXNVGNNKSKSL-UHFFFAOYSA-N 1 0 353.426 3.209 50 0 FGAARO Cc1cccc(OCC[N@@H+](C)CCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000014079590 220103647 /nfs/dbraw/zinc/10/36/47/220103647.db2.gz ITVXZADRBLUEEG-UHFFFAOYSA-N 1 0 356.422 3.063 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1cccnc1SC(F)F)c1ccccc1 ZINC000014111540 220106551 /nfs/dbraw/zinc/10/65/51/220106551.db2.gz CAKPIJXVYCLHHF-CQSZACIVSA-N 1 0 351.422 3.429 50 0 FGAARO CSc1ccc(C[N@H+](C)CCC(=O)Nc2sccc2C(N)=O)cc1 ZINC000014166256 220111847 /nfs/dbraw/zinc/11/18/47/220111847.db2.gz NFMWXPQCZMZLAX-UHFFFAOYSA-N 1 0 363.508 3.030 50 0 FGAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc(OC)c1 ZINC000014651432 220128611 /nfs/dbraw/zinc/12/86/11/220128611.db2.gz OXUPEAGZGLRRLD-UHFFFAOYSA-N 1 0 366.465 3.061 50 0 FGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]C1CCCCC1)CC2 ZINC000014741764 220130836 /nfs/dbraw/zinc/13/08/36/220130836.db2.gz ZXIULPHLXNEMTA-INIZCTEOSA-N 1 0 370.497 3.065 50 0 FGAARO O=C(c1cccc(OC2CC[NH+]([C@@H]3CCSC3)CC2)c1)N1CCCC1 ZINC000014972463 220137285 /nfs/dbraw/zinc/13/72/85/220137285.db2.gz XEFBSPJFRNWJCX-QGZVFWFLSA-N 1 0 360.523 3.271 50 0 FGAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[N@H+](CCCc1ccccc1)C2 ZINC000014731315 220131307 /nfs/dbraw/zinc/13/13/07/220131307.db2.gz MQESQNDZQKSIGW-UHFFFAOYSA-N 1 0 366.509 3.130 50 0 FGAARO CN(Cc1ccsc1)c1ccc(C(=O)NCC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000015067985 220144021 /nfs/dbraw/zinc/14/40/21/220144021.db2.gz YUMNEFSKYDQTML-GOSISDBHSA-N 1 0 372.538 3.384 50 0 FGAARO CC[NH2+]Cc1cc2cc(OC)c(OC)cc2n(Cc2ccc(C)cc2)c1=O ZINC000015066751 220144141 /nfs/dbraw/zinc/14/41/41/220144141.db2.gz GUZCTGMDPVUGDU-UHFFFAOYSA-N 1 0 366.461 3.485 50 0 FGAARO Cn1c2ccccc2nc1C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O ZINC000015065446 220144752 /nfs/dbraw/zinc/14/47/52/220144752.db2.gz NEOPLJPWHBXRAY-JOCHJYFZSA-N 1 0 366.509 3.188 50 0 FGAARO COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015300547 220151600 /nfs/dbraw/zinc/15/16/00/220151600.db2.gz GMAKEBIPXJAALW-OAQYLSRUSA-N 1 0 368.477 3.200 50 0 FGAARO CCc1cc(C)cc(OC[C@@H](O)C[n+]2cn(C)c3cc(C)c(C)cc32)c1 ZINC000015746110 220164147 /nfs/dbraw/zinc/16/41/47/220164147.db2.gz NUYKEBOPJAEMLZ-IBGZPJMESA-N 1 0 353.486 3.393 50 0 FGAARO Cc1ccc(C[N@H+](CCc2ccccc2)CC(=O)NC[C@H]2CCCO2)s1 ZINC000016397210 220183557 /nfs/dbraw/zinc/18/35/57/220183557.db2.gz DILUMBBHYJEIOU-LJQANCHMSA-N 1 0 372.534 3.396 50 0 FGAARO CCN1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)CC1 ZINC000019219779 220240474 /nfs/dbraw/zinc/24/04/74/220240474.db2.gz DMZQLZAKKRSSJV-INIZCTEOSA-N 1 0 360.498 3.083 50 0 FGAARO COc1ccc(CN2CC[NH+](Cc3ccccc3C)CC2)c(OC)c1OC ZINC000019237229 220243049 /nfs/dbraw/zinc/24/30/49/220243049.db2.gz NPKJHKVTKDUNDK-UHFFFAOYSA-N 1 0 370.493 3.339 50 0 FGAARO C[C@@H]1C[NH+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 ZINC000019607490 220280559 /nfs/dbraw/zinc/28/05/59/220280559.db2.gz UDINVXGKTWEHRM-XDRRCAOWSA-N 1 0 351.531 3.080 50 0 FGAARO Clc1ccc(COc2cccc(C[NH2+]CCN3CCOCC3)c2)cc1 ZINC000019691198 220286442 /nfs/dbraw/zinc/28/64/42/220286442.db2.gz BCGOPFWCAMTYCX-UHFFFAOYSA-N 1 0 360.885 3.341 50 0 FGAARO COc1cc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)ccc1F ZINC000020774988 220341273 /nfs/dbraw/zinc/34/12/73/220341273.db2.gz FGKSXCUHEGXLOT-UHFFFAOYSA-N 1 0 352.413 3.151 50 0 FGAARO OCC[C@H]1CN(Cc2nc3ccccc3[nH]2)CC[N@@H+]1CC1CCCCC1 ZINC000020995034 220347174 /nfs/dbraw/zinc/34/71/74/220347174.db2.gz IDNMXUYUXKJBGG-SFHVURJKSA-N 1 0 356.514 3.012 50 0 FGAARO COc1ccc(CCNC(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc1 ZINC000022679080 220393591 /nfs/dbraw/zinc/39/35/91/220393591.db2.gz BXDMHGDJFCROLD-IBGZPJMESA-N 1 0 373.522 3.436 50 0 FGAARO Cc1cccc(NC(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1 ZINC000022794487 220398887 /nfs/dbraw/zinc/39/88/87/220398887.db2.gz QVTTXLVAXUTUHE-HXUWFJFHSA-N 1 0 370.472 3.244 50 0 FGAARO Cc1cccc(C[NH+]2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000022771312 220398984 /nfs/dbraw/zinc/39/89/84/220398984.db2.gz IEHYXJULPGGEHH-QGZVFWFLSA-N 1 0 362.477 3.110 50 0 FGAARO Cc1ccsc1C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000048369164 221011457 /nfs/dbraw/zinc/01/14/57/221011457.db2.gz GSZGWNLZMHHTIU-UHFFFAOYSA-N 1 0 371.550 3.384 50 0 FGAARO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccnc(N3CCCC3)c2)c1 ZINC000048710944 221015000 /nfs/dbraw/zinc/01/50/00/221015000.db2.gz YBDBHUZGCPETEX-UHFFFAOYSA-N 1 0 363.465 3.370 50 0 FGAARO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000048265185 221004241 /nfs/dbraw/zinc/00/42/41/221004241.db2.gz PBAATJBXRGVJHS-UHFFFAOYSA-N 1 0 354.491 3.102 50 0 FGAARO O=C(NC1CC[NH+](C2CC2)CC1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000048262343 221004345 /nfs/dbraw/zinc/00/43/45/221004345.db2.gz CSXGRBPTKQUJLC-UHFFFAOYSA-N 1 0 366.436 3.413 50 0 FGAARO CCC[NH+](CCC)CC1=NC(=O)N[C@@H](c2ccc(C)cc2)C1C(=O)OCC ZINC000051318454 221034662 /nfs/dbraw/zinc/03/46/62/221034662.db2.gz FEJHXFZGGGINPG-IBGZPJMESA-N 1 0 373.497 3.288 50 0 FGAARO O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000055069673 221057998 /nfs/dbraw/zinc/05/79/98/221057998.db2.gz RAYHZJDAQXPXQL-SECBINFHSA-N 1 0 369.701 3.116 50 0 FGAARO Cc1c(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000055100395 221058249 /nfs/dbraw/zinc/05/82/49/221058249.db2.gz UFSSBSBQFVBJSV-MRXNPFEDSA-N 1 0 363.461 3.268 50 0 FGAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]Cc1cccn1-c1ncccn1 ZINC000055120168 221059529 /nfs/dbraw/zinc/05/95/29/221059529.db2.gz LLKNNVSWFWXPMC-OAHLLOKOSA-N 1 0 371.448 3.279 50 0 FGAARO COC(C)(C)CCC[C@@H](C)CC[NH+]1CCC(n2cc(CO)nn2)CC1 ZINC000055167679 221061542 /nfs/dbraw/zinc/06/15/42/221061542.db2.gz ZLEPEEDCHIWBAC-MRXNPFEDSA-N 1 0 352.523 3.029 50 0 FGAARO O=C(CCc1c[nH]c2ccccc12)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053990154 221050006 /nfs/dbraw/zinc/05/00/06/221050006.db2.gz WJSIQGNDRHQFIF-UHFFFAOYSA-N 1 0 362.477 3.276 50 0 FGAARO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)CCCSc1ccccc1 ZINC000055035819 221057393 /nfs/dbraw/zinc/05/73/93/221057393.db2.gz UVIUYPPBRLGRII-UHFFFAOYSA-N 1 0 374.554 3.179 50 0 FGAARO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1F ZINC000056422205 221079839 /nfs/dbraw/zinc/07/98/39/221079839.db2.gz PIRHSOQCNHRFSU-OAHLLOKOSA-N 1 0 356.445 3.246 50 0 FGAARO CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@@H]([NH3+])Cc1cscn1 ZINC000055386151 221068405 /nfs/dbraw/zinc/06/84/05/221068405.db2.gz LWYAQCVYASJOMA-AWEZNQCLSA-N 1 0 360.483 3.089 50 0 FGAARO Cc1ccc(F)cc1NC(=O)C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055392873 221068675 /nfs/dbraw/zinc/06/86/75/221068675.db2.gz PNSZSAXKPUUCPS-UHFFFAOYSA-N 1 0 356.376 3.392 50 0 FGAARO CCN1CC[NH+](CCCCNC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)CC1 ZINC000058198282 221105127 /nfs/dbraw/zinc/10/51/27/221105127.db2.gz ZDRUCBCYPBUNDO-FQEVSTJZSA-N 1 0 372.557 3.197 50 0 FGAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000057378576 221088020 /nfs/dbraw/zinc/08/80/20/221088020.db2.gz QLDWFFSEBCJSTP-HOTGVXAUSA-N 1 0 371.456 3.237 50 0 FGAARO Cc1noc2nc(C3CC3)cc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)c12 ZINC000058268458 221112656 /nfs/dbraw/zinc/11/26/56/221112656.db2.gz NWAQTVFDBRNWFX-CQSZACIVSA-N 1 0 356.470 3.259 50 0 FGAARO O=C(COc1ccc2c(c1)CCC2)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000058283570 221112730 /nfs/dbraw/zinc/11/27/30/221112730.db2.gz NRAPTKINXPNNCZ-SFHVURJKSA-N 1 0 356.510 3.279 50 0 FGAARO CC(=O)NCC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000058306207 221113570 /nfs/dbraw/zinc/11/35/70/221113570.db2.gz PWXGOUJZPAACPM-UHFFFAOYSA-N 1 0 353.466 3.009 50 0 FGAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1CCc1ccccc1 ZINC000058421273 221118270 /nfs/dbraw/zinc/11/82/70/221118270.db2.gz ZCJVIOSJTXTSII-NHCUHLMSSA-N 1 0 364.489 3.065 50 0 FGAARO CC[C@H](C)[N@H+](Cc1cn(CC(N)=O)c2ccccc12)Cc1cccnc1 ZINC000063847640 221143954 /nfs/dbraw/zinc/14/39/54/221143954.db2.gz BBZWXXNJEBZTNK-INIZCTEOSA-N 1 0 350.466 3.322 50 0 FGAARO Cc1ccc(-c2cn3cc(C(=O)N4CCC[N@@H+](C)CC4)ccc3n2)cc1C ZINC000065229927 221182994 /nfs/dbraw/zinc/18/29/94/221182994.db2.gz HOZNVUJVINLSEN-UHFFFAOYSA-N 1 0 362.477 3.396 50 0 FGAARO Cc1ccc(NC(=O)[C@H](C)[NH2+]CCc2csc(-c3ncccn3)n2)cc1 ZINC000065385382 221208439 /nfs/dbraw/zinc/20/84/39/221208439.db2.gz CJILNKABRVEXIF-AWEZNQCLSA-N 1 0 367.478 3.068 50 0 FGAARO O=C(NCc1ccccc1F)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255120 221188770 /nfs/dbraw/zinc/18/87/70/221188770.db2.gz DEZRWMILWQZOPE-UHFFFAOYSA-N 1 0 366.440 3.201 50 0 FGAARO COc1ccc([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@H+](C)C[C@H]32)c(C)c1C ZINC000065407601 221214613 /nfs/dbraw/zinc/21/46/13/221214613.db2.gz ONNNMULFSRACAX-IRMYBRCSSA-N 1 0 366.505 3.022 50 0 FGAARO O=C(c1ccccc1)N1CCC([NH2+]Cc2nncn2C2CCCCC2)CC1 ZINC000065406279 221215157 /nfs/dbraw/zinc/21/51/57/221215157.db2.gz WMYSGXIYNANXFV-UHFFFAOYSA-N 1 0 367.497 3.178 50 0 FGAARO CC(C)[NH+](CCNC(=O)CCc1nc(-c2ccccc2F)no1)C(C)C ZINC000065430503 221219402 /nfs/dbraw/zinc/21/94/02/221219402.db2.gz BHWMJCYANTVPFL-UHFFFAOYSA-N 1 0 362.449 3.043 50 0 FGAARO Cc1ccc(-c2nc(N3CC[C@H]([NH+](C)C)C3)ncc2-c2ccc(N)nc2)cc1 ZINC000065462805 221222663 /nfs/dbraw/zinc/22/26/63/221222663.db2.gz ACVSTFCVEJUECF-SFHVURJKSA-N 1 0 374.492 3.237 50 0 FGAARO CN(C)c1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000065494176 221225668 /nfs/dbraw/zinc/22/56/68/221225668.db2.gz XCRZKEACLGGQNA-UHFFFAOYSA-N 1 0 355.457 3.070 50 0 FGAARO 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CC[C@@H]([NH2+]C1CCN(c2ncnc3sc(C)cc32)CC1)c1ccnn1C ZINC000096139501 132220167 /nfs/dbraw/zinc/22/01/67/132220167.db2.gz DNJHRIIMRQOHIP-MRXNPFEDSA-N 1 0 370.526 3.443 50 0 FGAARO O=C1[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)CCCN1c1cccnc1 ZINC000097106938 132227696 /nfs/dbraw/zinc/22/76/96/132227696.db2.gz FDJTUSGFGPXIHA-KRWDZBQOSA-N 1 0 356.495 3.481 50 0 FGAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2cnc3ccccc3n2)CC1 ZINC000008745661 132260320 /nfs/dbraw/zinc/26/03/20/132260320.db2.gz NPQJVGHCMBKLFY-UHFFFAOYSA-N 1 0 361.449 3.024 50 0 FGAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCc3c(Cl)cccc3C2)n1 ZINC000244873175 132291374 /nfs/dbraw/zinc/29/13/74/132291374.db2.gz WLFQNXZVGKCSJV-HDJSIYSDSA-N 1 0 358.873 3.044 50 0 FGAARO CCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000002870664 132384356 /nfs/dbraw/zinc/38/43/56/132384356.db2.gz MWNWETKTDSXISZ-UHFFFAOYSA-N 1 0 353.466 3.480 50 0 FGAARO CC[NH+]1CCN(c2nc(CN3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000003347584 132385173 /nfs/dbraw/zinc/38/51/73/132385173.db2.gz COYRHXRYBHOSPI-UHFFFAOYSA-N 1 0 359.543 3.046 50 0 FGAARO CN1CCN(c2ccc(N3CCC([NH+]4CCCCCC4)CC3)cc2)C1=O ZINC000048148159 136122993 /nfs/dbraw/zinc/12/29/93/136122993.db2.gz NIDHCEOETPBBQV-UHFFFAOYSA-N 1 0 356.514 3.403 50 0 FGAARO Cc1occc1C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055131369 136126084 /nfs/dbraw/zinc/12/60/84/136126084.db2.gz DCLXSRRPFZIXGN-LJQANCHMSA-N 1 0 353.466 3.015 50 0 FGAARO O=C(CSCc1ccccc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928584 136138484 /nfs/dbraw/zinc/13/84/84/136138484.db2.gz ATZRJWINIHMNKV-UHFFFAOYSA-N 1 0 355.507 3.348 50 0 FGAARO CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000072139191 136142352 /nfs/dbraw/zinc/14/23/52/136142352.db2.gz JLBDWIZPQREUMJ-QGZVFWFLSA-N 1 0 367.493 3.407 50 0 FGAARO CN1C[C@@]2(CCC[N@@H+](C3CCN(c4ccc5c(c4)CCC5)CC3)C2)OC1=O ZINC000072458729 136148583 /nfs/dbraw/zinc/14/85/83/136148583.db2.gz OVYKNDQKRPBRQK-JOCHJYFZSA-N 1 0 369.509 3.061 50 0 FGAARO CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000023211918 136152453 /nfs/dbraw/zinc/15/24/53/136152453.db2.gz SRIMSHKCGBOIOQ-FQEVSTJZSA-N 1 0 374.912 3.464 50 0 FGAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000077485497 221634029 /nfs/dbraw/zinc/63/40/29/221634029.db2.gz IGBLWDZRYNZYSM-GOSISDBHSA-N 1 0 373.472 3.446 50 0 FGAARO FC(F)(F)Cn1nc(COc2ccccc2)nc1[C@@H]1CCC[NH2+]CC1 ZINC000096151792 222052737 /nfs/dbraw/zinc/05/27/37/222052737.db2.gz RQVHBWYOXFKASP-CYBMUJFWSA-N 1 0 354.376 3.277 50 0 FGAARO FC(F)(F)Cn1nc(COc2ccccc2)nc1[C@H]1CCC[NH2+]CC1 ZINC000096151793 222053126 /nfs/dbraw/zinc/05/31/26/222053126.db2.gz RQVHBWYOXFKASP-ZDUSSCGKSA-N 1 0 354.376 3.277 50 0 FGAARO C[NH+](C)Cc1ccc(-c2nc(C3CC3)nn2-c2ccc3c(c2)OCCO3)o1 ZINC000096163916 222063317 /nfs/dbraw/zinc/06/33/17/222063317.db2.gz XTBCVLRBXQGHFB-UHFFFAOYSA-N 1 0 366.421 3.238 50 0 FGAARO Cc1ccc([C@@H](CNC(=O)c2cccnc2C(F)(F)F)[NH+](C)C)cc1 ZINC000097032172 222152780 /nfs/dbraw/zinc/15/27/80/222152780.db2.gz YCKPUXPQJKOSBO-OAHLLOKOSA-N 1 0 351.372 3.442 50 0 FGAARO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(OCCOC)c(Cl)c1 ZINC000097105239 222160433 /nfs/dbraw/zinc/16/04/33/222160433.db2.gz AGHLUHXZZBOECZ-UHFFFAOYSA-N 1 0 357.882 3.171 50 0 FGAARO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000097447116 222181240 /nfs/dbraw/zinc/18/12/40/222181240.db2.gz YJMOTCOBKSIDJK-LEWJYISDSA-N 1 0 365.477 3.105 50 0 FGAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000097447048 222181299 /nfs/dbraw/zinc/18/12/99/222181299.db2.gz HIHKCGZURDZWLR-SJORKVTESA-N 1 0 373.428 3.147 50 0 FGAARO CCc1cc(Cl)ccc1NC(=O)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000097495330 222185554 /nfs/dbraw/zinc/18/55/54/222185554.db2.gz AAQLPFYAKRJIGC-QGZVFWFLSA-N 1 0 365.905 3.355 50 0 FGAARO Cc1ccccc1-c1ccc(NC(=O)NCC[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000097515069 222188907 /nfs/dbraw/zinc/18/89/07/222188907.db2.gz KTRQPURCSYKCQC-SFHVURJKSA-N 1 0 367.493 3.488 50 0 FGAARO Cc1ccccc1-c1cccc(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097604255 222197863 /nfs/dbraw/zinc/19/78/63/222197863.db2.gz YMYFWWSYRZUFPY-HXUWFJFHSA-N 1 0 364.493 3.173 50 0 FGAARO CNc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)ccn1 ZINC000097654219 222202320 /nfs/dbraw/zinc/20/23/20/222202320.db2.gz PKVPCINRGUSONX-LJQANCHMSA-N 1 0 352.482 3.470 50 0 FGAARO C/C(=C\C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1F ZINC000098055228 222223600 /nfs/dbraw/zinc/22/36/00/222223600.db2.gz QDZYGRKOJPDVLD-BMRADRMJSA-N 1 0 360.473 3.380 50 0 FGAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)cc1 ZINC000104403541 222358114 /nfs/dbraw/zinc/35/81/14/222358114.db2.gz SXUVKVQHOULSEA-OAQYLSRUSA-N 1 0 354.494 3.072 50 0 FGAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CSCc2ccccn2)C1 ZINC000106135383 222383671 /nfs/dbraw/zinc/38/36/71/222383671.db2.gz XYXNDFCJRMQDRE-SJLPKXTDSA-N 1 0 355.507 3.267 50 0 FGAARO CC1(C)C[C@@H]([NH2+]C2CCN(c3ccc(-n4cccn4)cc3)CC2)CCO1 ZINC000048435881 263406965 /nfs/dbraw/zinc/40/69/65/263406965.db2.gz GSQJWJQRGSYBCE-SFHVURJKSA-N 1 0 354.498 3.388 50 0 FGAARO Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)N2CCC([NH3+])CC2)cc1 ZINC000426510159 263614722 /nfs/dbraw/zinc/61/47/22/263614722.db2.gz ORMHAERDEWISPY-UHFFFAOYSA-N 1 0 367.375 3.061 50 0 FGAARO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C(c1ccccc1)c1ccccc1 ZINC000028081277 493775793 /nfs/dbraw/zinc/77/57/93/493775793.db2.gz ALSDKIBNFLLZHA-UHFFFAOYSA-N 1 0 351.450 3.038 50 0 FGAARO CCCOC(=O)c1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)cc1 ZINC000002054351 493800212 /nfs/dbraw/zinc/80/02/12/493800212.db2.gz QNZOTDNRZPLCGQ-KRWDZBQOSA-N 1 0 368.433 3.351 50 0 FGAARO COc1ccc(CC[NH+](C)CCc2ccc(OC)c(OC)c2)cc1OC ZINC000002017514 493800292 /nfs/dbraw/zinc/80/02/92/493800292.db2.gz OXZMQFKVNVQMLI-UHFFFAOYSA-N 1 0 359.466 3.438 50 0 in-vitro FGAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000002309031 493805788 /nfs/dbraw/zinc/80/57/88/493805788.db2.gz FWGAPWBIJWAODH-CYBMUJFWSA-N 1 0 373.453 3.166 50 0 FGAARO C[n+]1cc(Cl)cc2c1nc(C(F)(F)F)n2CC(=O)c1ccccc1 ZINC000002335211 493806045 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CC1CC[NH+](C[C@@H](O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000004837906 493895116 /nfs/dbraw/zinc/89/51/16/493895116.db2.gz ARDHDHQMIZTSHA-HXUWFJFHSA-N 1 0 353.462 3.389 50 0 FGAARO Cc1cccc(CN2CCCC[C@@H]([NH2+]C3CSCCSC3)C2)n1 ZINC000082108072 493978850 /nfs/dbraw/zinc/97/88/50/493978850.db2.gz FDZJWYAPTUHRQN-QGZVFWFLSA-N 1 0 351.585 3.183 50 0 FGAARO CC(C)c1noc([C@@H]2CCCN2C(=O)C2CC[NH+](Cc3ccco3)CC2)n1 ZINC000082126461 493980067 /nfs/dbraw/zinc/98/00/67/493980067.db2.gz JEMSPYSZBBJBSW-KRWDZBQOSA-N 1 0 372.469 3.362 50 0 FGAARO Cc1c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000032448623 493989964 /nfs/dbraw/zinc/98/99/64/493989964.db2.gz CUPIIQDCZZWMQY-FQEVSTJZSA-N 1 0 366.440 3.353 50 0 FGAARO C/C=C/c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(OC)cc2)c(OC)c1 ZINC000007006840 493993837 /nfs/dbraw/zinc/99/38/37/493993837.db2.gz XOJDXAJREZUREF-WRFKIARRSA-N 1 0 357.450 3.266 50 0 FGAARO CC[C@@H](CNC(=O)c1cc(OC)ccc1Br)[NH+]1CCCC1 ZINC000032653219 494003261 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Cc1nccn1CC[C@@H](C)[NH+]1CCC2(CN(CCC(C)C)C(=O)O2)CC1 ZINC000072476713 494181703 /nfs/dbraw/zinc/18/17/03/494181703.db2.gz MUASPFQMXZVGHC-QGZVFWFLSA-N 1 0 362.518 3.303 50 0 FGAARO CC(C)[NH+]1CCN(c2nnc(-c3nc(C4CC4)no3)c3ccccc32)CC1 ZINC000065258293 494183582 /nfs/dbraw/zinc/18/35/82/494183582.db2.gz GMVOZTUEQCCQBG-UHFFFAOYSA-N 1 0 364.453 3.088 50 0 FGAARO O=C(Nc1ccccc1)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000065256175 494183599 /nfs/dbraw/zinc/18/35/99/494183599.db2.gz WDNBTVPNTWDVRK-HXUWFJFHSA-N 1 0 358.445 3.485 50 0 FGAARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2ccccn2)C1 ZINC000011664962 494184751 /nfs/dbraw/zinc/18/47/51/494184751.db2.gz UTUBVLPJMBWPDW-QFIPXVFZSA-N 1 0 368.477 3.478 50 0 FGAARO Cc1ccc(CN2C[C@@H]3C[C@@H](c4cccc(O)c4)[N@@H+]4CCC[C@@]34C2=O)o1 ZINC000011708046 494188511 /nfs/dbraw/zinc/18/85/11/494188511.db2.gz ABIKRMCEDFXXQV-LRQRDZAKSA-N 1 0 352.434 3.232 50 0 FGAARO COc1cc(/C=C/C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)ccc1O ZINC000011816227 494192382 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Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1=Cc2ccccc2OC1 ZINC000012543300 494240250 /nfs/dbraw/zinc/24/02/50/494240250.db2.gz WHVLSMAOHUARTO-UHFFFAOYSA-N 1 0 363.461 3.161 50 0 FGAARO C[C@H](O)c1ccc(N2CC[NH+](CCC(=O)Nc3ccccc3)CC2)c(F)c1 ZINC000012824560 494263739 /nfs/dbraw/zinc/26/37/39/494263739.db2.gz CWTZVQPZEDHXIK-INIZCTEOSA-N 1 0 371.456 3.030 50 0 FGAARO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)COc1cc(C)cc(C)c1)CC2 ZINC000089585465 494325946 /nfs/dbraw/zinc/32/59/46/494325946.db2.gz FQWUJAVPSVZCDC-JOCHJYFZSA-N 1 0 367.489 3.347 50 0 FGAARO C[C@H]([NH2+]Cc1ccc(Br)nc1)c1ccc(-n2cncn2)cc1 ZINC000089904974 494396489 /nfs/dbraw/zinc/39/64/89/494396489.db2.gz FGZKVZXNSAOGLO-LBPRGKRZSA-N 1 0 358.243 3.276 50 0 FGAARO Fc1ccc(N2CCN([C@@H]3CCC[N@@H+](C4CCSCC4)C3)CC2)cc1 ZINC000019720634 494458467 /nfs/dbraw/zinc/45/84/67/494458467.db2.gz SITXTCFJYVXPCE-HXUWFJFHSA-N 1 0 363.546 3.308 50 0 FGAARO COc1ccccc1N1CC[NH+](C[C@H](O)c2c[nH]c3ccccc32)CC1 ZINC000019946953 494464116 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CC[C@@]1(CO)[NH2+][C@H](c2cccc(Oc3ccccc3)c2)[C@@H]2CN(C)C[C@@H]21 ZINC000065403529 221213810 /nfs/dbraw/zinc/21/38/10/221213810.db2.gz YPMNCXNNNXSAIR-MBDNFAEBSA-N 1 0 352.478 3.442 50 0 FGAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1CN1CCOc2ccccc2C1 ZINC000065463418 221223340 /nfs/dbraw/zinc/22/33/40/221223340.db2.gz JANKGFRTLBQAKC-UHFFFAOYSA-N 1 0 361.449 3.243 50 0 FGAARO C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2)CC1)N(C)c1ccccc1 ZINC000065398050 221211648 /nfs/dbraw/zinc/21/16/48/221211648.db2.gz CRLUNEKWJSYPBA-GOSISDBHSA-N 1 0 351.494 3.406 50 0 FGAARO CC[N@@H+]1CCC[C@@H](c2c(-c3ccccc3)ncn2Cc2cc(=O)[nH]cn2)C1 ZINC000065490593 221225425 /nfs/dbraw/zinc/22/54/25/221225425.db2.gz ZOFLRAFQWHDGEE-QGZVFWFLSA-N 1 0 363.465 3.293 50 0 FGAARO C[C@@H]1CCC[N@H+](CCC(=O)N2CCc3onc(-c4ccccc4)c3C2)C1 ZINC000067515018 221258374 /nfs/dbraw/zinc/25/83/74/221258374.db2.gz ZEUWPPKNRIIDCL-MRXNPFEDSA-N 1 0 353.466 3.348 50 0 FGAARO CC1(C(=O)N2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000067642713 221264539 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O=S1(=O)CC[C@H]([NH2+]Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000008428746 494090267 /nfs/dbraw/zinc/09/02/67/494090267.db2.gz NXVIMVVYZNEUPP-HNNXBMFYSA-N 1 0 351.855 3.409 50 0 FGAARO CC[NH+]1CCN(c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)n2)CC1 ZINC000036618589 494093566 /nfs/dbraw/zinc/09/35/66/494093566.db2.gz NFHZJOUWLYBPOZ-UHFFFAOYSA-N 1 0 366.387 3.313 50 0 FGAARO Cn1ccnc1[C@@H](NC(=O)C[NH+]1CCCCCCC1)c1ccc(F)cc1 ZINC000008725584 494101181 /nfs/dbraw/zinc/10/11/81/494101181.db2.gz OBDJHFCMIXLWOK-IBGZPJMESA-N 1 0 358.461 3.031 50 0 FGAARO CC[C@@H]1CN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC[N@@H+]1C(C)C ZINC000077518586 494102995 /nfs/dbraw/zinc/10/29/95/494102995.db2.gz CVURPPGJUBPLTB-OAQYLSRUSA-N 1 0 368.525 3.493 50 0 FGAARO O=C(COc1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000008777703 494104184 /nfs/dbraw/zinc/10/41/84/494104184.db2.gz HYMCDVCMYLHAJQ-UHFFFAOYSA-N 1 0 358.869 3.500 50 0 FGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)C[C@H]2CCO)c(F)c1 ZINC000039394270 494121425 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372.896 3.250 50 0 FGAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C3=CCCC3)C2)CC1 ZINC000015065164 494336731 /nfs/dbraw/zinc/33/67/31/494336731.db2.gz JCYBWBKNXHITIT-HXUWFJFHSA-N 1 0 353.510 3.218 50 0 FGAARO CN(CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000044916776 494388341 /nfs/dbraw/zinc/38/83/41/494388341.db2.gz NEWHRORAIFMNLT-UHFFFAOYSA-N 1 0 351.494 3.151 50 0 FGAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COC2CCCCC2)CC1 ZINC000016578341 494394079 /nfs/dbraw/zinc/39/40/79/494394079.db2.gz MSFKGXHREASQGV-GOSISDBHSA-N 1 0 366.933 3.481 50 0 FGAARO O=C(NCCCc1nc2ccccc2s1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079020487 494394092 /nfs/dbraw/zinc/39/40/92/494394092.db2.gz WIDUSLGQBLRRIO-GOEBONIOSA-N 1 0 358.511 3.155 50 0 FGAARO C[C@H]1C[C@@H](NC(=O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000079559076 494481864 /nfs/dbraw/zinc/48/18/64/494481864.db2.gz XASJHNRRHAATNU-LPHOPBHVSA-N 1 0 356.441 3.374 50 0 FGAARO O[C@@H](C[NH+]1CCN(c2ccc(F)cc2)CC1)c1c[nH]c2ccc(F)cc21 ZINC000021793148 494506623 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C[C@@H](O)c1cn(C2CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)nn1 ZINC000023542373 494571423 /nfs/dbraw/zinc/57/14/23/494571423.db2.gz IJCZBLTVBMCOCL-MRXNPFEDSA-N 1 0 363.465 3.231 50 0 FGAARO CCc1noc(C)c1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091270084 494577052 /nfs/dbraw/zinc/57/70/52/494577052.db2.gz IGVKPPWFGYBBAD-ZWKOTPCHSA-N 1 0 353.466 3.282 50 0 FGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(C(F)(F)F)c(F)c1)C2 ZINC000091289530 494577864 /nfs/dbraw/zinc/57/78/64/494577864.db2.gz UQUXDDHNAFBSTE-LSDHHAIUSA-N 1 0 360.395 3.387 50 0 FGAARO CC[NH+]1CCN(CC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1 ZINC000023991183 494593928 /nfs/dbraw/zinc/59/39/28/494593928.db2.gz CMINZWGSQFOPTG-UHFFFAOYSA-N 1 0 353.466 3.363 50 0 FGAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc([C@H]3CCCO3)s1)CC2 ZINC000091411289 494594311 /nfs/dbraw/zinc/59/43/11/494594311.db2.gz SSSYNTUCELHXFJ-QGZVFWFLSA-N 1 0 372.538 3.302 50 0 FGAARO CN(C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2)c1ccccc1 ZINC000091594749 494622969 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O=C(NCCc1cn2ccsc2n1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000223236066 497034768 /nfs/dbraw/zinc/03/47/68/497034768.db2.gz YKDFZTKPXXDBQU-SFHVURJKSA-N 1 0 368.506 3.109 50 0 FGAARO CC(C)C[NH+]1CCC(N2CCc3nc(-c4cccc(CO)c4)[nH]c3C2)CC1 ZINC000223652676 497041395 /nfs/dbraw/zinc/04/13/95/497041395.db2.gz OFKDAACGFZCZMQ-UHFFFAOYSA-N 1 0 368.525 3.048 50 0 FGAARO C[N@@H+]1CCC[C@H](CN2C(=O)[C@H]3CCCN3C2=O)[C@@H]1c1cccc(Cl)c1 ZINC000225457570 497063488 /nfs/dbraw/zinc/06/34/88/497063488.db2.gz YSQMNLRZNZMJJE-OIISXLGYSA-N 1 0 361.873 3.150 50 0 FGAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1c(F)cccc1Cl ZINC000225569225 497067372 /nfs/dbraw/zinc/06/73/72/497067372.db2.gz OAKMXLDGEXVPDZ-CYBMUJFWSA-N 1 0 356.894 3.426 50 0 FGAARO C[NH+](C)CCN(c1ccc2nnc(-c3ccccc3)n2n1)C1CCCC1 ZINC000225813263 497076424 /nfs/dbraw/zinc/07/64/24/497076424.db2.gz UPYDIAKPSKPNNW-UHFFFAOYSA-N 1 0 350.470 3.102 50 0 FGAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000237247372 497209965 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Fc1ccc(Cc2nnc(N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)s2)cc1 ZINC000252512265 497309291 /nfs/dbraw/zinc/30/92/91/497309291.db2.gz ONVUXDVOOJFLTN-UAGQMJEPSA-N 1 0 358.486 3.189 50 0 FGAARO Cc1sc(-n2cccc2)nc1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252523053 497310217 /nfs/dbraw/zinc/31/02/17/497310217.db2.gz BSRFJBMEKOTWJC-HZPDHXFCSA-N 1 0 358.511 3.237 50 0 FGAARO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)C1 ZINC000237938665 497317325 /nfs/dbraw/zinc/31/73/25/497317325.db2.gz AGJPSNADRYQTSY-TZMCWYRMSA-N 1 0 371.308 3.285 50 0 FGAARO C[NH+](C)Cc1cccc(C(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)c1 ZINC000253425526 497333918 /nfs/dbraw/zinc/33/39/18/497333918.db2.gz UPOKVZRMJIZUQP-UHFFFAOYSA-N 1 0 370.840 3.339 50 0 FGAARO CCc1nnc(NC(=O)CC[NH+]2CCC(OCc3ccccc3)CC2)s1 ZINC000244674002 497367644 /nfs/dbraw/zinc/36/76/44/497367644.db2.gz HZPYGMNRRHEHIJ-UHFFFAOYSA-N 1 0 374.510 3.110 50 0 FGAARO O[C@H]1C[C@@H](c2cc(NCC3CC[NH+](Cc4ccccc4)CC3)ncn2)C1 ZINC000244794684 497369955 /nfs/dbraw/zinc/36/99/55/497369955.db2.gz QRLHMYMUCTVZGW-KDURUIRLSA-N 1 0 352.482 3.039 50 0 FGAARO Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C(C)C)no3)CCNC(=O)CC2)o1 ZINC000257182883 497384974 /nfs/dbraw/zinc/38/49/74/497384974.db2.gz QKHFRJMREMBPCI-MRXNPFEDSA-N 1 0 374.485 3.370 50 0 FGAARO COC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)CCC1(F)F ZINC000257191260 497387827 /nfs/dbraw/zinc/38/78/27/497387827.db2.gz PRHOYODFBJFVMM-HNNXBMFYSA-N 1 0 351.397 3.189 50 0 FGAARO CC(=O)N1CCC([C@H]2c3nccn3CCC[N@H+]2Cc2ccccc2)CC1 ZINC000257192516 497387841 /nfs/dbraw/zinc/38/78/41/497387841.db2.gz USKFECLFXJCJGN-FQEVSTJZSA-N 1 0 352.482 3.089 50 0 FGAARO COc1cccc(C[NH+]2CCC3(CC2)[C@H](OC)CN3c2cccc(F)c2)n1 ZINC000257191938 497387954 /nfs/dbraw/zinc/38/79/54/497387954.db2.gz RVKFNDPZINICPL-LJQANCHMSA-N 1 0 371.456 3.099 50 0 FGAARO Cc1c[nH+]c(C2CCOCC2)n1CC1CCN(C(=O)c2cccnc2)CC1 ZINC000257195342 497389282 /nfs/dbraw/zinc/38/92/82/497389282.db2.gz VXELWDJTDWRXFD-UHFFFAOYSA-N 1 0 368.481 3.033 50 0 FGAARO COc1ccc([C@@H](C)NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1Br ZINC000262543723 497571906 /nfs/dbraw/zinc/57/19/06/497571906.db2.gz RKTQUDWAXTYGHY-IAQYHMDHSA-N 1 0 369.303 3.413 50 0 FGAARO COCc1noc([C@@H](C)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)n1 ZINC000190796255 497606278 /nfs/dbraw/zinc/60/62/78/497606278.db2.gz DHTPFYABWCXTMB-MRXNPFEDSA-N 1 0 373.501 3.228 50 0 FGAARO CC(C)[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1nc(-c2ccncc2)no1 ZINC000333148408 498915440 /nfs/dbraw/zinc/91/54/40/498915440.db2.gz MCHBUEANIJIKPD-IVSAIRAKSA-N 1 0 371.485 3.206 50 0 FGAARO [NH3+]CCOc1cccc(CC(=O)NCc2cc(F)cc(C(F)(F)F)c2)c1 ZINC000426537733 500286617 /nfs/dbraw/zinc/28/66/17/500286617.db2.gz RTICBBVHPSUQJV-UHFFFAOYSA-N 1 0 370.346 3.041 50 0 FGAARO C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3cnn(Cc4ccccc4)c3)cc2)C1 ZINC000426582848 500291324 /nfs/dbraw/zinc/29/13/24/500291324.db2.gz QQOOZKFHMMDGNV-NRFANRHFSA-N 1 0 360.461 3.032 50 0 FGAARO CC(=O)c1cc(-c2cccc(C(=O)N(C)CCC[NH+](C)C)c2)ccc1O ZINC000426624764 500296331 /nfs/dbraw/zinc/29/63/31/500296331.db2.gz MAYRZHKFGNTWET-UHFFFAOYSA-N 1 0 354.450 3.286 50 0 FGAARO COc1cc(OC)cc(-c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2)c1 ZINC000426658457 500302667 /nfs/dbraw/zinc/30/26/67/500302667.db2.gz QEZXBOYNOLAOSX-UHFFFAOYSA-N 1 0 356.466 3.395 50 0 FGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cccc(-c3cnccn3)c2)CC1 ZINC000426739022 500313681 /nfs/dbraw/zinc/31/36/81/500313681.db2.gz IZNRWNAJLLKHKF-UHFFFAOYSA-N 1 0 373.460 3.200 50 0 FGAARO O=C(NC1CC[NH2+]CC1)c1ccc(-c2ccc(CSCCO)cc2)cc1 ZINC000534646666 504201644 /nfs/dbraw/zinc/20/16/44/504201644.db2.gz JDJWWZOQSGGJNA-UHFFFAOYSA-N 1 0 370.518 3.061 50 0 FGAARO CCn1cc(-c2ccc(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)cc2)cn1 ZINC000534654273 504205482 /nfs/dbraw/zinc/20/54/82/504205482.db2.gz FKIVFUCJBLBYAE-MRXNPFEDSA-N 1 0 352.482 3.269 50 0 FGAARO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCCN2CCCCC2=O)c1 ZINC000299766826 534163756 /nfs/dbraw/zinc/16/37/56/534163756.db2.gz FYYLNDLWFPUARG-QGZVFWFLSA-N 1 0 372.513 3.195 50 0 FGAARO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000241837529 521098044 /nfs/dbraw/zinc/09/80/44/521098044.db2.gz SKVOZUUSZBBOFJ-PMACEKPBSA-N 1 0 372.509 3.028 50 0 FGAARO CCc1ccccc1C[NH+]1CCC(c2nnc(Cn3ccnc3)n2C)CC1 ZINC000091441180 521823162 /nfs/dbraw/zinc/82/31/62/521823162.db2.gz PGMJNZVYMGXUTN-UHFFFAOYSA-N 1 0 364.497 3.002 50 0 FGAARO C[NH2+]C[C@H]1CCN(C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C1 ZINC000179022178 522091171 /nfs/dbraw/zinc/09/11/71/522091171.db2.gz JIKAUSDFVBQWDU-SNVBAGLBSA-N 1 0 357.401 3.305 50 0 FGAARO COc1ccc(-c2nc(CN3CC[N@@H+]4CCCC[C@H]4C3)c(C)o2)cc1OC ZINC000244734357 523205015 /nfs/dbraw/zinc/20/50/15/523205015.db2.gz NEBLQTSUUMEZLN-KRWDZBQOSA-N 1 0 371.481 3.337 50 0 FGAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc1 ZINC000020997077 524032889 /nfs/dbraw/zinc/03/28/89/524032889.db2.gz SXUVKVQHOULSEA-NRFANRHFSA-N 1 0 354.494 3.072 50 0 FGAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(Oc3ncccn3)cc1)C2 ZINC000019789376 524243410 /nfs/dbraw/zinc/24/34/10/524243410.db2.gz SLMHLVVYNQVYBS-KRWDZBQOSA-N 1 0 363.417 3.371 50 0 FGAARO COc1ccccc1C[N@H+](C[C@@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000242263416 524439688 /nfs/dbraw/zinc/43/96/88/524439688.db2.gz XYYVIUWIUNNPFN-LEWJYISDSA-N 1 0 355.478 3.280 50 0 FGAARO Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020889951 525156641 /nfs/dbraw/zinc/15/66/41/525156641.db2.gz XWQZGXHAEBPWFG-UHFFFAOYSA-N 1 0 352.482 3.329 50 0 FGAARO C[C@H]([NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1)[C@H](O)c1ccccc1 ZINC000019872234 525447676 /nfs/dbraw/zinc/44/76/76/525447676.db2.gz ITSAROUZJOZUKJ-KKSFZXQISA-N 1 0 370.493 3.192 50 0 FGAARO Cc1ccncc1C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082099958 525725726 /nfs/dbraw/zinc/72/57/26/525725726.db2.gz WEAXRTWQKFLQLP-UHFFFAOYSA-N 1 0 367.497 3.055 50 0 FGAARO Cc1ccsc1[C@H](CNC(=O)c1ccc(-c2cc[nH]n2)cc1)[NH+](C)C ZINC000091445146 525888543 /nfs/dbraw/zinc/88/85/43/525888543.db2.gz VLFLVBLNZULHJK-KRWDZBQOSA-N 1 0 354.479 3.479 50 0 FGAARO Cn1c(CN2CCCCCC2)nnc1C1CC[NH+](Cc2ccco2)CC1 ZINC000091426615 527054582 /nfs/dbraw/zinc/05/45/82/527054582.db2.gz RHLQVVDXIJBVTL-UHFFFAOYSA-N 1 0 357.502 3.164 50 0 FGAARO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)N1CC1CC1 ZINC000091486843 527118333 /nfs/dbraw/zinc/11/83/33/527118333.db2.gz SDBPLAIPDHLWLE-JKSUJKDBSA-N 1 0 368.399 3.418 50 0 FGAARO O=C(Cn1cnc2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091595684 527401820 /nfs/dbraw/zinc/40/18/20/527401820.db2.gz HKFOFBWXRGHMCA-WOJBJXKFSA-N 1 0 374.488 3.159 50 0 FGAARO CC(C)=CC[NH+]1CCC2(CC[C@@H](CNC(=O)/C=C/c3ccncc3)O2)CC1 ZINC000299788442 527429662 /nfs/dbraw/zinc/42/96/62/527429662.db2.gz SDBPSEHBKCNDST-YADGQWAMSA-N 1 0 369.509 3.191 50 0 FGAARO O=C(Nc1ccccc1OCCOc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000055100176 527432013 /nfs/dbraw/zinc/43/20/13/527432013.db2.gz IDQWJUAZVUUELM-SFHVURJKSA-N 1 0 366.461 3.473 50 0 FGAARO Cc1ncsc1CCC(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000082099196 527485189 /nfs/dbraw/zinc/48/51/89/527485189.db2.gz NEHPGEIBTUKBCC-KRWDZBQOSA-N 1 0 361.486 3.477 50 0 FGAARO OCC[C@@H]1CN(CCc2ccccc2)CC[N@@H+]1CCCc1ccccc1 ZINC000020515881 527564157 /nfs/dbraw/zinc/56/41/57/527564157.db2.gz GAHJHVQNWLLZJQ-HSZRJFAPSA-N 1 0 352.522 3.231 50 0 FGAARO OCC[C@@H]1C[N@H+](CCCc2ccccc2)CCN1Cc1ccc(F)cc1 ZINC000019952331 527565284 /nfs/dbraw/zinc/56/52/84/527565284.db2.gz FORJUQIVHZMBMT-JOCHJYFZSA-N 1 0 356.485 3.327 50 0 FGAARO OCC[C@H]1CN(Cc2ccccc2OC(F)F)CC[N@@H+]1C1CCCCC1 ZINC000019789781 527573745 /nfs/dbraw/zinc/57/37/45/527573745.db2.gz HHWHNUCKRMGVID-SFHVURJKSA-N 1 0 368.468 3.489 50 0 FGAARO CCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1cc(OC)no1 ZINC000334160603 528123514 /nfs/dbraw/zinc/12/35/14/528123514.db2.gz IMCLNGYCZPJGEZ-FUHWJXTLSA-N 1 0 363.502 3.119 50 0 FGAARO CCOc1ccc2nc(C[N@@H+]3CC[C@]4(OC)CC[C@@H](O)C[C@H]34)ccc2c1 ZINC000299765445 528624929 /nfs/dbraw/zinc/62/49/29/528624929.db2.gz AYIYWAGJPZWFJK-JRGCBEDISA-N 1 0 356.466 3.138 50 0 FGAARO CC[C@@H](Cn1ccnc1)[NH2+]C1CCN(c2ncnc3c(C)csc32)CC1 ZINC000095530778 535777025 /nfs/dbraw/zinc/77/70/25/535777025.db2.gz RVMJQIWUKVKGCG-HNNXBMFYSA-N 1 0 370.526 3.233 50 0 FGAARO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000328596650 535967329 /nfs/dbraw/zinc/96/73/29/535967329.db2.gz LGYZMEHYKDZWPV-ZZJWQFMZSA-N 1 0 354.494 3.291 50 0 FGAARO COc1ccccc1CN(Cc1cccc(F)c1)C(=O)NCC[NH+](C)C ZINC000426435410 570605387 /nfs/dbraw/zinc/60/53/87/570605387.db2.gz NVNCNFJQTWZQBM-UHFFFAOYSA-N 1 0 359.445 3.108 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(N2CCCC2)nc1)c1cccs1 ZINC000048084320 570935106 /nfs/dbraw/zinc/93/51/06/570935106.db2.gz ASCHCNLUUTYKEY-HNNXBMFYSA-N 1 0 359.499 3.168 50 0 FGAARO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(Cl)n(C)nc2C(C)C)C1 ZINC000116364842 571191061 /nfs/dbraw/zinc/19/10/61/571191061.db2.gz UXLWMQKKIHELBI-KBPBESRZSA-N 1 0 354.926 3.370 50 0 FGAARO Cc1nc(C)c(-c2cccc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)c2)s1 ZINC000426419979 571222524 /nfs/dbraw/zinc/22/25/24/571222524.db2.gz LBPJAKXLXREZJJ-ROUUACIJSA-N 1 0 371.506 3.020 50 0 FGAARO CCC[NH+]1CCC(CCNC(=O)N(C)Cc2nc3ccccc3n2C)CC1 ZINC000426420049 571222560 /nfs/dbraw/zinc/22/25/60/571222560.db2.gz VICXAPGKWVOZAV-UHFFFAOYSA-N 1 0 371.529 3.227 50 0 FGAARO Cn1ccnc1-c1cccc(C(=O)NC(C)(C)C[NH+]2CCCCCC2)c1 ZINC000426421818 571223069 /nfs/dbraw/zinc/22/30/69/571223069.db2.gz JPVWUDHQDHCNDM-UHFFFAOYSA-N 1 0 354.498 3.472 50 0 FGAARO O=C(NCCC[N@H+]1CCC[C@@H](CO)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000426430903 571224493 /nfs/dbraw/zinc/22/44/93/571224493.db2.gz AAOXEEZCJOVRRJ-QGZVFWFLSA-N 1 0 370.468 3.317 50 0 FGAARO O=C(Nc1ccc2occc(=O)c2c1)NC1CC[NH+](Cc2ccco2)CC1 ZINC000426441710 571225417 /nfs/dbraw/zinc/22/54/17/571225417.db2.gz FUIHPEVIZVLLBO-UHFFFAOYSA-N 1 0 367.405 3.172 50 0 FGAARO CCc1c(C)nc(C)nc1-c1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000584887192 571313952 /nfs/dbraw/zinc/31/39/52/571313952.db2.gz DJCGIUOIEYQDFU-SFHVURJKSA-N 1 0 352.482 3.099 50 0 FGAARO C[C@@H](CNC(=O)N(C)Cc1c[nH]nc1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000584887107 571314056 /nfs/dbraw/zinc/31/40/56/571314056.db2.gz KPZAWLXPJNZOMY-HNNXBMFYSA-N 1 0 373.476 3.232 50 0 FGAARO NC(=O)C1([NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)CCCCCC1 ZINC000670449764 571352305 /nfs/dbraw/zinc/35/23/05/571352305.db2.gz YMUHXTOIRLBTRH-UHFFFAOYSA-N 1 0 351.441 3.102 50 0 FGAARO CSc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000022926715 695658594 /nfs/dbraw/zinc/65/85/94/695658594.db2.gz HMWIPEIVARPAFT-FQEVSTJZSA-N 1 0 356.535 3.477 50 0 FGAARO CSCCC[N@@H+]1CCC[C@@H](COc2ccccc2C(=O)NC2CC2)C1 ZINC000169776573 705350880 /nfs/dbraw/zinc/35/08/80/705350880.db2.gz NJOIGKPBOKYWNB-MRXNPFEDSA-N 1 0 362.539 3.423 50 0 FGAARO CC(C)(C)OC(=O)NCCCC[C@H]([NH2+]CCO)c1ccc(F)cc1F ZINC000888097011 739470356 /nfs/dbraw/zinc/47/03/56/739470356.db2.gz VKNOODKOPUXCNU-INIZCTEOSA-N 1 0 358.429 3.283 50 0 FGAARO CC(=O)Nc1ccc(C(=O)N2CCC[N@@H+](CC(C)C)CC2)c(Cl)c1 ZINC000952976114 762538986 /nfs/dbraw/zinc/53/89/86/762538986.db2.gz QETPBITZCCLFAV-UHFFFAOYSA-N 1 0 351.878 3.102 50 0 FGAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170676330 222613527 /nfs/dbraw/zinc/61/35/27/222613527.db2.gz QHZPHJYCOPHPRJ-GXFFZTMASA-N 1 0 368.359 3.097 50 0 FGAARO Cc1ccc(C(=O)NCCC(=O)NCC2([NH+]3CCCCC3)CCCC2)cc1 ZINC000219303680 222698327 /nfs/dbraw/zinc/69/83/27/222698327.db2.gz NGCVMTDIOSTUJH-UHFFFAOYSA-N 1 0 371.525 3.030 50 0 FGAARO COc1cc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)ccc1O ZINC000000819209 219326217 /nfs/dbraw/zinc/32/62/17/219326217.db2.gz RYDHDLKDYNHHPA-UHFFFAOYSA-N 1 0 368.477 3.238 50 0 FGAARO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccco1)c1ccc(Cl)cc1 ZINC000000921764 219341617 /nfs/dbraw/zinc/34/16/17/219341617.db2.gz HEUQRPLODPGAAR-IRXDYDNUSA-N 1 0 368.886 3.312 50 0 FGAARO CC[C@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000000974688 219349022 /nfs/dbraw/zinc/34/90/22/219349022.db2.gz ABCXPFMUBUBVDM-DZGCQCFKSA-N 1 0 365.271 3.346 50 0 FGAARO COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2C)cc1OC ZINC000001225193 219391139 /nfs/dbraw/zinc/39/11/39/219391139.db2.gz GLAAELKYFVHNPM-UHFFFAOYSA-N 1 0 354.426 3.290 50 0 FGAARO COc1ccc([C@@]2(C)N(O)C(C)(C)C(c3ccccc3)[N+]2=O)cc1OC ZINC000002238161 219433956 /nfs/dbraw/zinc/43/39/56/219433956.db2.gz ZCHNUGQKPWNXIY-HXUWFJFHSA-N 1 0 356.422 3.360 50 0 FGAARO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1OC ZINC000237270872 222907391 /nfs/dbraw/zinc/90/73/91/222907391.db2.gz CZQHZPBASGTCDC-KSZLIROESA-N 1 0 360.498 3.145 50 0 FGAARO CSCC[NH2+][C@@H]1CCc2c(sc3ncn(C4CCCC4)c(=O)c23)C1 ZINC000299755960 223081477 /nfs/dbraw/zinc/08/14/77/223081477.db2.gz ATXNEMKOZFGBLQ-GFCCVEGCSA-N 1 0 363.552 3.383 50 0 FGAARO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000299777584 223091742 /nfs/dbraw/zinc/09/17/42/223091742.db2.gz OLLLKICKSTVSMM-OAHLLOKOSA-N 1 0 354.498 3.094 50 0 FGAARO O=C(NCc1ncc2c(n1)CCC2)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000299777253 223092502 /nfs/dbraw/zinc/09/25/02/223092502.db2.gz ODQTVDCXPLIQBY-UHFFFAOYSA-N 1 0 364.493 3.271 50 0 FGAARO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)NCC1(c2ccccc2F)CCCC1 ZINC000299782074 223094601 /nfs/dbraw/zinc/09/46/01/223094601.db2.gz SBVQWEDJXFHXFL-IBGZPJMESA-N 1 0 356.441 3.029 50 0 FGAARO Cc1scc(C(=O)NCC[N@@H+]2CCC[C@H](CO)C2)c1-c1ccccc1 ZINC000299802946 223106115 /nfs/dbraw/zinc/10/61/15/223106115.db2.gz YXJYTMOONGPSFP-INIZCTEOSA-N 1 0 358.507 3.158 50 0 FGAARO O=C(C1CC[NH+](C2CCOCC2)CC1)N1CCCC[C@@H]1c1cccnc1 ZINC000299796382 223102061 /nfs/dbraw/zinc/10/20/61/223102061.db2.gz NKDMYWSHHJJEQA-HXUWFJFHSA-N 1 0 357.498 3.026 50 0 FGAARO CC[NH+](CC)CCN(C)C(=O)c1cc(COc2ccc(C)c(C)c2)on1 ZINC000011706114 219929461 /nfs/dbraw/zinc/92/94/61/219929461.db2.gz GRFQVKCRUSHKAK-UHFFFAOYSA-N 1 0 359.470 3.284 50 0 FGAARO COCCNC(=O)CCC1CC[NH+](Cc2ccc(OC)c(C)c2C)CC1 ZINC000012385806 219987676 /nfs/dbraw/zinc/98/76/76/219987676.db2.gz YMUOMGSQEPLMTE-UHFFFAOYSA-N 1 0 362.514 3.067 50 0 FGAARO CC(=O)N1CCC([NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)CC1 ZINC000012387343 219988322 /nfs/dbraw/zinc/98/83/22/219988322.db2.gz AESGWBJXUDHXEN-GFCCVEGCSA-N 1 0 362.424 3.120 50 0 FGAARO O=C(NC[C@H]1CCC[N@@H+](C2CCOCC2)C1)c1cccc2ccccc21 ZINC000012714541 220021383 /nfs/dbraw/zinc/02/13/83/220021383.db2.gz BSWTVIYMCHGTTB-QGZVFWFLSA-N 1 0 352.478 3.461 50 0 FGAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3cccc4ccccc43)C2)C1=O ZINC000012761273 220026111 /nfs/dbraw/zinc/02/61/11/220026111.db2.gz MJNITOWMPPWXNS-QFIPXVFZSA-N 1 0 352.478 3.301 50 0 FGAARO CC[NH+](CC)[C@H](CNC(=O)CCNC(=O)c1cccs1)c1ccccc1 ZINC000012824875 220034767 /nfs/dbraw/zinc/03/47/67/220034767.db2.gz CNOLECWUMGDKKF-QGZVFWFLSA-N 1 0 373.522 3.067 50 0 FGAARO Cc1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c2cnn(C(C)C)c2n1 ZINC000012995157 220050706 /nfs/dbraw/zinc/05/07/06/220050706.db2.gz HNGNBSAUVXATKW-UHFFFAOYSA-N 1 0 365.481 3.312 50 0 FGAARO CC[NH+](CC)CCNC(=O)c1cc(-c2cccs2)nc2onc(C)c21 ZINC000013641936 220080577 /nfs/dbraw/zinc/08/05/77/220080577.db2.gz VLNZUKUXIAVKQK-UHFFFAOYSA-N 1 0 358.467 3.331 50 0 FGAARO CCOc1cc(C[NH2+]CCCN2CCCC2=O)cc(Cl)c1OCC ZINC000013727737 220091483 /nfs/dbraw/zinc/09/14/83/220091483.db2.gz JOHQCOLPRPZVJY-UHFFFAOYSA-N 1 0 354.878 3.240 50 0 FGAARO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(C(F)(F)F)cc1 ZINC000014670831 220129252 /nfs/dbraw/zinc/12/92/52/220129252.db2.gz WPCCTJJHJYUBJR-UHFFFAOYSA-N 1 0 362.351 3.433 50 0 FGAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](CC(C)C)CC2)C1=O ZINC000014752557 220132633 /nfs/dbraw/zinc/13/26/33/220132633.db2.gz KCMRVTGAAMNYJM-UHFFFAOYSA-N 1 0 357.498 3.004 50 0 FGAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NC[C@H]1CCCO1 ZINC000014880569 220133605 /nfs/dbraw/zinc/13/36/05/220133605.db2.gz IQEUQNXJQOEOEP-HXUWFJFHSA-N 1 0 368.477 3.089 50 0 FGAARO O=C(CCC1CC[NH+](C[C@H]2CCOC2)CC1)NCc1cccc(Cl)c1 ZINC000014979245 220139290 /nfs/dbraw/zinc/13/92/90/220139290.db2.gz BYCSHECRJMMQGG-GOSISDBHSA-N 1 0 364.917 3.485 50 0 FGAARO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C4CCCC4)CC3)[nH]n2)cc1C ZINC000015721955 220161917 /nfs/dbraw/zinc/16/19/17/220161917.db2.gz UWGBOJDWVFAOIL-UHFFFAOYSA-N 1 0 352.482 3.394 50 0 FGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000015865200 220170248 /nfs/dbraw/zinc/17/02/48/220170248.db2.gz UUANHEIBYRVUHQ-CQSZACIVSA-N 1 0 354.479 3.301 50 0 FGAARO COc1ccc(S(=O)(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000017074287 220204250 /nfs/dbraw/zinc/20/42/50/220204250.db2.gz YSTANWUIONQGMM-UHFFFAOYSA-N 1 0 360.479 3.482 50 0 FGAARO Cc1cc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000019367330 220252544 /nfs/dbraw/zinc/25/25/44/220252544.db2.gz LOJQGJUWZYJAAE-IBGZPJMESA-N 1 0 374.912 3.206 50 0 FGAARO COc1cc(OC)c2[nH]c(C)c(C[N@@H+]3CCc4ccccc4C3)c(=O)c2c1 ZINC000019793730 220295801 /nfs/dbraw/zinc/29/58/01/220295801.db2.gz IDJVRDHDPAPUKC-UHFFFAOYSA-N 1 0 364.445 3.412 50 0 FGAARO COc1ccc2oc(=O)cc(CN3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000020058783 220309622 /nfs/dbraw/zinc/30/96/22/220309622.db2.gz WJTXKCKJSUDBDI-UHFFFAOYSA-N 1 0 356.466 3.252 50 0 FGAARO COc1cc2[nH]c3c(ncn(CC[NH+](C(C)C)C(C)C)c3=O)c2cc1OC ZINC000020230052 220320342 /nfs/dbraw/zinc/32/03/42/220320342.db2.gz KVJGBGVNZWWJBF-UHFFFAOYSA-N 1 0 372.469 3.014 50 0 FGAARO CCCCOc1c(Br)cc(C[NH2+]CCN(C)C)cc1OC ZINC000020406707 220325672 /nfs/dbraw/zinc/32/56/72/220325672.db2.gz OTGFMNPXMZRRHQ-UHFFFAOYSA-N 1 0 359.308 3.288 50 0 FGAARO CCOc1ccc([C@](C)(O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020756508 220340345 /nfs/dbraw/zinc/34/03/45/220340345.db2.gz IKRGSJYJHZMUTM-YADHBBJMSA-N 1 0 355.478 3.409 50 0 FGAARO CC[NH+](CC)CCNC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C ZINC000021537954 220359548 /nfs/dbraw/zinc/35/95/48/220359548.db2.gz UTBJEBIXZRDDLV-UHFFFAOYSA-N 1 0 365.481 3.085 50 0 FGAARO C[C@@H](NC(=S)NC1CCCCC1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022027282 220373795 /nfs/dbraw/zinc/37/37/95/220373795.db2.gz VKSBBIVKECNHLR-XLIONFOSSA-N 1 0 374.598 3.160 50 0 FGAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000022610401 220390565 /nfs/dbraw/zinc/39/05/65/220390565.db2.gz IBYQGJYAYIVLEA-OAQYLSRUSA-N 1 0 368.477 3.236 50 0 FGAARO Cc1ccc([C@@H](CNC(=O)c2ccc(C)c(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022582494 220390811 /nfs/dbraw/zinc/39/08/11/220390811.db2.gz RYFIQHJQIVAVFE-JOCHJYFZSA-N 1 0 365.521 3.330 50 0 FGAARO CC[NH+](CC)CCNC(=O)c1sc(COc2ccc(C)cc2)nc1C ZINC000022704652 220395911 /nfs/dbraw/zinc/39/59/11/220395911.db2.gz ZEHZJLLNEYVSFD-UHFFFAOYSA-N 1 0 361.511 3.411 50 0 FGAARO Cc1ccc(C)c([C@H](C)NC(=O)CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000022751806 220397554 /nfs/dbraw/zinc/39/75/54/220397554.db2.gz FWKOXNCXHZPLCF-IBGZPJMESA-N 1 0 357.542 3.431 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)Cc1csc(-c2ccco2)n1)c1cccs1 ZINC000025344992 220483595 /nfs/dbraw/zinc/48/35/95/220483595.db2.gz GBXWASSZRVTTJH-ZDUSSCGKSA-N 1 0 361.492 3.426 50 0 FGAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)C(C)C ZINC000031385065 220636270 /nfs/dbraw/zinc/63/62/70/220636270.db2.gz BMBFDMVJNNAEMK-GOSISDBHSA-N 1 0 371.529 3.250 50 0 FGAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]CCCCCO)cc1 ZINC000040732926 220917630 /nfs/dbraw/zinc/91/76/30/220917630.db2.gz IJKJOTLHKJZGCY-UHFFFAOYSA-N 1 0 356.466 3.265 50 0 FGAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]CCCCCO)cc2)cc1 ZINC000040733186 220917669 /nfs/dbraw/zinc/91/76/69/220917669.db2.gz SBSSLELMFUTYAW-UHFFFAOYSA-N 1 0 356.466 3.265 50 0 FGAARO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cc(Cl)c[nH]3)cc2)C[C@H](C)O1 ZINC000047539052 220995292 /nfs/dbraw/zinc/99/52/92/220995292.db2.gz PLNZCBRARDNODB-KBPBESRZSA-N 1 0 361.873 3.207 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1ccccc1 ZINC000048280136 221005504 /nfs/dbraw/zinc/00/55/04/221005504.db2.gz FXSMXKRUOXPZJS-FQEVSTJZSA-N 1 0 352.482 3.278 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000048354148 221010086 /nfs/dbraw/zinc/01/00/86/221010086.db2.gz CFOQWNCSDKSOFA-UHFFFAOYSA-N 1 0 353.510 3.379 50 0 FGAARO CC(C)NC(=O)Nc1cccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000048397385 221012329 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O=C(C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000053076636 221042369 /nfs/dbraw/zinc/04/23/69/221042369.db2.gz CNLQBTAGVYGBNO-AABGKKOBSA-N 1 0 360.473 3.003 50 0 FGAARO CC(C)Oc1ccccc1C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000055899410 221075665 /nfs/dbraw/zinc/07/56/65/221075665.db2.gz FJHAZYJLRGXLRB-OAHLLOKOSA-N 1 0 362.495 3.314 50 0 FGAARO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000057024238 221082806 /nfs/dbraw/zinc/08/28/06/221082806.db2.gz DJPUUBQNQGSWIH-FXAWDEMLSA-N 1 0 354.450 3.452 50 0 FGAARO CC(C)c1ccc(C[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000058170503 221102793 /nfs/dbraw/zinc/10/27/93/221102793.db2.gz XYZRQDWTTPFROR-UHFFFAOYSA-N 1 0 362.481 3.108 50 0 FGAARO COc1ccc(C[NH2+]Cc2ccccc2-n2cccn2)c(OC)c1OC ZINC000058208835 221107359 /nfs/dbraw/zinc/10/73/59/221107359.db2.gz YIRDAIGBLCQDMJ-UHFFFAOYSA-N 1 0 353.422 3.188 50 0 FGAARO O=C([C@@H](c1ccccc1)[N@H+]1CC=C(c2ccccc2)CC1)N1CCOCC1 ZINC000057688452 221091440 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COc1ccc2c(c1)c(C(=O)NC[C@@H]1CCC[N@@H+]3CCCC[C@H]13)cn2C ZINC000079193350 494416801 /nfs/dbraw/zinc/41/68/01/494416801.db2.gz CTJQUTFLNWDAGU-HNAYVOBHSA-N 1 0 355.482 3.181 50 0 FGAARO COc1ccc(CC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000017911520 494419080 /nfs/dbraw/zinc/41/90/80/494419080.db2.gz DJFZCSIKSYNZLI-OAQYLSRUSA-N 1 0 368.477 3.200 50 0 FGAARO C[NH+]1CCN(Cc2c3c(sc2NC(=O)c2ccc(F)cc2)CCC3)CC1 ZINC000019924424 494463752 /nfs/dbraw/zinc/46/37/52/494463752.db2.gz YQPWBCYGLUIESZ-UHFFFAOYSA-N 1 0 373.497 3.376 50 0 FGAARO COc1ccccc1NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000022198035 494516142 /nfs/dbraw/zinc/51/61/42/494516142.db2.gz WHLTYIYNVGBTLW-UHFFFAOYSA-N 1 0 373.884 3.499 50 0 FGAARO CC[C@H](OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000022870637 494539699 /nfs/dbraw/zinc/53/96/99/494539699.db2.gz NUSRKGCTOQJRPV-PKTZIBPZSA-N 1 0 368.521 3.333 50 0 FGAARO Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000023133769 494551460 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COc1cccc(C[N@H+](C)C[C@@H](O)COc2c(C)cccc2C)c1OC ZINC000023408818 494565624 /nfs/dbraw/zinc/56/56/24/494565624.db2.gz NXNGSEKSIDVRIU-GOSISDBHSA-N 1 0 359.466 3.192 50 0 FGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000091469087 494605294 /nfs/dbraw/zinc/60/52/94/494605294.db2.gz HZBMKFHKYCCULQ-SFHVURJKSA-N 1 0 362.539 3.070 50 0 FGAARO Cc1cccc2c(C[NH+]3CCC4(CCC(=O)N(CCO)C4)CC3)cccc12 ZINC000091518814 494612391 /nfs/dbraw/zinc/61/23/91/494612391.db2.gz UBXHFMSQTNLUOI-UHFFFAOYSA-N 1 0 366.505 3.345 50 0 FGAARO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC000024688140 494653705 /nfs/dbraw/zinc/65/37/05/494653705.db2.gz XTUVNQNFZXBLGM-SFHVURJKSA-N 1 0 364.486 3.057 50 0 FGAARO CN1CC[C@H]([NH2+]C2CCN(CC(F)F)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000108165689 494655339 /nfs/dbraw/zinc/65/53/39/494655339.db2.gz PKQIFKCDNWQBOR-FUHWJXTLSA-N 1 0 357.876 3.404 50 0 FGAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@](O)(c2ccccc2)C1 ZINC000091736230 494661637 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354.425 3.268 50 0 FGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000095378711 494970195 /nfs/dbraw/zinc/97/01/95/494970195.db2.gz PHYUCJSAGKCSOM-QGZVFWFLSA-N 1 0 374.916 3.047 50 0 FGAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@H](O)c1cccc(F)c1 ZINC000095441981 494975264 /nfs/dbraw/zinc/97/52/64/494975264.db2.gz FAKNNWBCPSDWNA-UTKZUKDTSA-N 1 0 370.468 3.372 50 0 FGAARO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 ZINC000095506292 494982755 /nfs/dbraw/zinc/98/27/55/494982755.db2.gz YRSUDRZWYIXPLW-IYBDPMFKSA-N 1 0 352.482 3.224 50 0 FGAARO Cc1ccccc1[C@@H](C(=O)NC1CC[NH+](Cc2cccs2)CC1)N(C)C ZINC000095510470 494983561 /nfs/dbraw/zinc/98/35/61/494983561.db2.gz HVTBCVRIZHMASG-FQEVSTJZSA-N 1 0 371.550 3.440 50 0 FGAARO CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000095512676 494984201 /nfs/dbraw/zinc/98/42/01/494984201.db2.gz VZZNTDYXQXHYAC-INIZCTEOSA-N 1 0 356.470 3.112 50 0 FGAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)Nc1ccccc1OCc1ccccn1 ZINC000095522523 494985977 /nfs/dbraw/zinc/98/59/77/494985977.db2.gz WFOJAJHAHJIPCS-QGZVFWFLSA-N 1 0 354.454 3.266 50 0 FGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000095531272 494988264 /nfs/dbraw/zinc/98/82/64/494988264.db2.gz WXXPPGQVHVOEMP-INIZCTEOSA-N 1 0 373.476 3.385 50 0 FGAARO CCc1ccc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1F ZINC000095946270 494991653 /nfs/dbraw/zinc/99/16/53/494991653.db2.gz LLOAKOPXSSXYSK-UHFFFAOYSA-N 1 0 362.493 3.068 50 0 FGAARO Cc1nnsc1C[NH2+]C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000096154007 495004962 /nfs/dbraw/zinc/00/49/62/495004962.db2.gz QAMIXLVYYVSDLP-UHFFFAOYSA-N 1 0 372.523 3.124 50 0 FGAARO Cc1ccc(C[NH+]2CCC(OCc3nc(-c4ccncc4)no3)CC2)o1 ZINC000097096804 495023564 /nfs/dbraw/zinc/02/35/64/495023564.db2.gz MZRJAGHPZSKDPM-UHFFFAOYSA-N 1 0 354.410 3.214 50 0 FGAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000114916868 495441756 /nfs/dbraw/zinc/44/17/56/495441756.db2.gz ZATLQIWOTRJOBF-LJQANCHMSA-N 1 0 367.497 3.095 50 0 FGAARO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COCc2ccccc2F)C1(CC)CC ZINC000170599830 495532478 /nfs/dbraw/zinc/53/24/78/495532478.db2.gz RPJDGFRTLMCGAZ-YTQUADARSA-N 1 0 353.478 3.277 50 0 FGAARO CC(C)[C@H](C(=O)OCc1nc2ccc(Cl)nc2[nH]1)[NH+]1CCCCC1 ZINC000170609419 495533787 /nfs/dbraw/zinc/53/37/87/495533787.db2.gz WTRBIYGTSDDCKU-OAHLLOKOSA-N 1 0 350.850 3.165 50 0 FGAARO CCC(CC)[C@H](NC(=O)c1nnn(C2CC[NH2+]CC2)c1C)c1ccccc1 ZINC000151697773 495923023 /nfs/dbraw/zinc/92/30/23/495923023.db2.gz TWNBPIIECVJEPR-FQEVSTJZSA-N 1 0 369.513 3.418 50 0 FGAARO O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174554743 496007261 /nfs/dbraw/zinc/00/72/61/496007261.db2.gz RMIDCECZMNIVJO-MRXNPFEDSA-N 1 0 372.900 3.474 50 0 FGAARO O=C(CCc1cccc(F)c1F)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186573355 496051267 /nfs/dbraw/zinc/05/12/67/496051267.db2.gz TVZIFZKKHGYPHG-GOSISDBHSA-N 1 0 373.447 3.463 50 0 FGAARO O=C(Nc1cccc(-c2ncco2)c1)N1CCN(Cc2ccccn2)CC1 ZINC000162693529 496397822 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CC(C)(C)n1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000065496963 221227112 /nfs/dbraw/zinc/22/71/12/221227112.db2.gz QONTVZRZUBOILC-GOSISDBHSA-N 1 0 354.498 3.280 50 0 FGAARO Cc1cc(-n2nc(C3CC3)nc2C2CCN(c3ncccn3)CC2)cc[nH+]1 ZINC000065525749 221229608 /nfs/dbraw/zinc/22/96/08/221229608.db2.gz WDSWNRXRSYXAPJ-UHFFFAOYSA-N 1 0 361.453 3.022 50 0 FGAARO C[C@@]1(O)CC[N@H+](Cc2cnc(-c3ccccn3)nc2)C[C@@H]1Cc1ccccc1 ZINC000067490065 221257875 /nfs/dbraw/zinc/25/78/75/221257875.db2.gz FMDOBPILZKUPBK-NZQKXSOJSA-N 1 0 374.488 3.354 50 0 FGAARO Cc1c2ccccc2[nH]c1C[N@@H+](C)C[C@@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000067588753 221260318 /nfs/dbraw/zinc/26/03/18/221260318.db2.gz FGKOFKGEWGLJNY-QFIPXVFZSA-N 1 0 371.525 3.308 50 0 FGAARO Cc1ccc2[nH]c(CCNc3cc([C@@H]4CCC[NH2+]C4)nc(C)n3)nc2c1C ZINC000067654431 221267044 /nfs/dbraw/zinc/26/70/44/221267044.db2.gz RDIMTAGXILYTBX-MRXNPFEDSA-N 1 0 364.497 3.400 50 0 FGAARO CCNc1cc(N2CCN(C(=O)CCC3CCCCC3)CC2)nc(C)[nH+]1 ZINC000067622046 221263546 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FGAARO CC[N@H+](C)CC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067756413 221281363 /nfs/dbraw/zinc/28/13/63/221281363.db2.gz LQWBCDGZXRKXKN-UHFFFAOYSA-N 1 0 374.868 3.385 50 0 FGAARO Cc1ncsc1CC[N@@H+](C)Cc1cc(=O)n2c3c(cccc13)CCC2 ZINC000067769559 221282960 /nfs/dbraw/zinc/28/29/60/221282960.db2.gz OPQRONYRYGVDQB-UHFFFAOYSA-N 1 0 353.491 3.387 50 0 FGAARO COc1ccnc(C[NH+]2CCC(n3nccc3NC(=O)CC(C)C)CC2)c1 ZINC000067773373 221284553 /nfs/dbraw/zinc/28/45/53/221284553.db2.gz PXLKVZHILHAGKP-UHFFFAOYSA-N 1 0 371.485 3.108 50 0 FGAARO [NH3+][C@@H](C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000067833689 221290717 /nfs/dbraw/zinc/29/07/17/221290717.db2.gz MJZIIRDFXUOWJT-GOSISDBHSA-N 1 0 369.371 3.468 50 0 FGAARO Cc1cccc2[nH]c([C@@H]3CCC[N@@H+]3CCC(=O)NCc3ccco3)nc21 ZINC000067855043 221295024 /nfs/dbraw/zinc/29/50/24/221295024.db2.gz YZTKBXLSLOBXKF-KRWDZBQOSA-N 1 0 352.438 3.308 50 0 FGAARO C[NH+](C)CCN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067868219 221296378 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3.232 50 0 FGAARO COc1ccc2c(c1)c(C(=O)N1CCC3(CC[NH2+]CC3)CC1)c(C)n2C ZINC000071415693 221346275 /nfs/dbraw/zinc/34/62/75/221346275.db2.gz KQRTVZOQJMSMMB-UHFFFAOYSA-N 1 0 355.482 3.101 50 0 FGAARO Fc1ccc(C[C@@H]2CN(Cc3cccn3-c3cc[nH+]cc3)CCO2)cc1 ZINC000071479424 221350159 /nfs/dbraw/zinc/35/01/59/221350159.db2.gz FMTPJUGHPUPOIX-OAQYLSRUSA-N 1 0 351.425 3.455 50 0 FGAARO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)no1 ZINC000071750603 221361916 /nfs/dbraw/zinc/36/19/16/221361916.db2.gz MIYANMZDJUYEBM-LJQANCHMSA-N 1 0 359.445 3.495 50 0 FGAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c(F)c1 ZINC000071762243 221369166 /nfs/dbraw/zinc/36/91/66/221369166.db2.gz XBEBRQNGYCWCCN-SFHVURJKSA-N 1 0 373.516 3.089 50 0 FGAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000072155980 221434310 /nfs/dbraw/zinc/43/43/10/221434310.db2.gz ITAJDPPMYNMYQA-JOCHJYFZSA-N 1 0 370.468 3.412 50 0 FGAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(C)c(C)c2)[nH+]1 ZINC000077135992 132178816 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COc1cc(C[N@@H+]2CCCC23CCN(c2ncccn2)CC3)ccc1F ZINC000072478481 136149587 /nfs/dbraw/zinc/14/95/87/136149587.db2.gz XHVHLSFENGRSBV-UHFFFAOYSA-N 1 0 356.445 3.259 50 0 FGAARO C[N@H+](Cc1cccs1)C1CCN(c2cccc(N3CCNC3=O)c2)CC1 ZINC000023312297 136152571 /nfs/dbraw/zinc/15/25/71/136152571.db2.gz FSDRYNLVSUCNFN-UHFFFAOYSA-N 1 0 370.522 3.379 50 0 FGAARO CSc1ccccc1C(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095386126 221891465 /nfs/dbraw/zinc/89/14/65/221891465.db2.gz DACUVPHPXJZQBS-MRXNPFEDSA-N 1 0 372.538 3.186 50 0 FGAARO c1ccc2c(c1)C[C@@H](C[N@@H+]1CCCN(Cc3cccnc3)CC1)CCO2 ZINC000095519835 221944333 /nfs/dbraw/zinc/94/43/33/221944333.db2.gz JRWASEYDDQKVAZ-IBGZPJMESA-N 1 0 351.494 3.231 50 0 FGAARO C[NH2+][C@H]1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)C1 ZINC000095971472 221983866 /nfs/dbraw/zinc/98/38/66/221983866.db2.gz YOHOCUNDOJXSCZ-INIZCTEOSA-N 1 0 362.429 3.202 50 0 FGAARO Cc1csc(CCNC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000096138775 222043096 /nfs/dbraw/zinc/04/30/96/222043096.db2.gz 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Cc1ccc(-c2cccc(C(=O)N3CCC[C@@](O)(C[NH+]4CCCC4)C3)c2)o1 ZINC000077340962 494062011 /nfs/dbraw/zinc/06/20/11/494062011.db2.gz PUKOYEFDTMOVEF-JOCHJYFZSA-N 1 0 368.477 3.318 50 0 FGAARO COc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2OC)[NH+](C)C)cc1 ZINC000008132403 494070516 /nfs/dbraw/zinc/07/05/16/494070516.db2.gz ZFRWUIZVROTXKT-KRWDZBQOSA-N 1 0 362.857 3.390 50 0 FGAARO Cc1cccn2cc(C[N@@H+]3CCC[C@@]4(CCC(=O)N(CC5CC5)C4)C3)nc12 ZINC000077378737 494070927 /nfs/dbraw/zinc/07/09/27/494070927.db2.gz FBBUUULCLCBCLF-JOCHJYFZSA-N 1 0 366.509 3.257 50 0 FGAARO O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077391784 494074143 /nfs/dbraw/zinc/07/41/43/494074143.db2.gz BHZYOSQCSDHMAG-MRXNPFEDSA-N 1 0 371.456 3.148 50 0 FGAARO CC(C)CN1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)[C@H](C)C1=O ZINC000077392756 494074740 /nfs/dbraw/zinc/07/47/40/494074740.db2.gz XCANHGRLXOAADD-QGZVFWFLSA-N 1 0 363.571 3.423 50 0 FGAARO Cc1c2cccc(F)c2oc1C(=O)N1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000077408300 494077202 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CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000008428768 494090679 /nfs/dbraw/zinc/09/06/79/494090679.db2.gz IGXCQQDIYZWPOD-QFBILLFUSA-N 1 0 357.475 3.456 50 0 FGAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cncc(Br)c1 ZINC000008429910 494090704 /nfs/dbraw/zinc/09/07/04/494090704.db2.gz OVDMJXAXVWVVHC-UHFFFAOYSA-N 1 0 374.282 3.370 50 0 FGAARO COCCCN1C[C@]2(CCC[N@H+](Cc3ccc(OC)cc3C)C2)CCC1=O ZINC000077487854 494093819 /nfs/dbraw/zinc/09/38/19/494093819.db2.gz GTLZESKLMMHKET-JOCHJYFZSA-N 1 0 374.525 3.245 50 0 FGAARO OCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000009254221 494119247 /nfs/dbraw/zinc/11/92/47/494119247.db2.gz UIRTZRYDDMBJLV-UHFFFAOYSA-N 1 0 372.266 3.384 50 0 FGAARO C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000009479194 494125179 /nfs/dbraw/zinc/12/51/79/494125179.db2.gz SSADWARDJJADKD-UHFFFAOYSA-N 1 0 351.450 3.274 50 0 FGAARO CCn1cc(C[N@@H+]2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072133042 494130546 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FGAARO O=C(c1cccc(O)c1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091586324 494620578 /nfs/dbraw/zinc/62/05/78/494620578.db2.gz KIWJEQMJMXQSPS-OXJNMPFZSA-N 1 0 362.473 3.096 50 0 FGAARO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000091664822 494638692 /nfs/dbraw/zinc/63/86/92/494638692.db2.gz NYXNGJUXLGUVGD-HXUWFJFHSA-N 1 0 361.445 3.273 50 0 FGAARO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c(-c2ccccc2)o1 ZINC000091713553 494657414 /nfs/dbraw/zinc/65/74/14/494657414.db2.gz IDEHWFCDUIYMFX-QUCCMNQESA-N 1 0 370.493 3.420 50 0 FGAARO CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(C)cc1F)CC2 ZINC000091779296 494676655 /nfs/dbraw/zinc/67/66/55/494676655.db2.gz XUGBTIOHNNOTMU-UHFFFAOYSA-N 1 0 370.472 3.143 50 0 FGAARO CC[NH+](CC)[C@H](CNC(=O)c1n[nH]c(C2CC2)c1Cl)c1ccco1 ZINC000075110891 494694023 /nfs/dbraw/zinc/69/40/23/494694023.db2.gz SFTJMZUETQEMPQ-GFCCVEGCSA-N 1 0 350.850 3.346 50 0 FGAARO CN1CC[NH+](C2(CN3C[C@](C)(c4ccccc4)CCC3=O)CCCC2)CC1 ZINC000091845752 494703113 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CCc1nc2ccccc2n1CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000027677105 494881068 /nfs/dbraw/zinc/88/10/68/494881068.db2.gz MBVIPVVADWMMJG-MRXNPFEDSA-N 1 0 356.495 3.079 50 0 FGAARO C[NH+](C)CCCn1ccnc1C1CCN(c2nc3ccccc3o2)CC1 ZINC000095354741 494961478 /nfs/dbraw/zinc/96/14/78/494961478.db2.gz BODNHIFODJJTKB-UHFFFAOYSA-N 1 0 353.470 3.360 50 0 FGAARO CCn1nc(CNC(=O)C2CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000095365387 494965246 /nfs/dbraw/zinc/96/52/46/494965246.db2.gz MUQBORDJZSIPMQ-UHFFFAOYSA-N 1 0 366.465 3.178 50 0 FGAARO Cc1cccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095376624 494969122 /nfs/dbraw/zinc/96/91/22/494969122.db2.gz PILXIIAMPYBXTJ-CEWLAPEOSA-N 1 0 365.452 3.232 50 0 FGAARO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc3nsnc3c1)C2 ZINC000095381482 494971146 /nfs/dbraw/zinc/97/11/46/494971146.db2.gz QSEBEZQZTYJSLX-JKSUJKDBSA-N 1 0 356.495 3.080 50 0 FGAARO CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)[nH]n1 ZINC000095387519 494972410 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CCCCOc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000007126531 204289271 /nfs/dbraw/zinc/28/92/71/204289271.db2.gz INMJBDQCKWDJDW-SFHVURJKSA-N 1 0 365.437 3.320 50 0 FGAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccccc1F ZINC000007374108 204294829 /nfs/dbraw/zinc/29/48/29/204294829.db2.gz FCKQGLLZTQMDSE-QAPCUYQASA-N 1 0 360.454 3.131 50 0 FGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1=C(C)C(=O)OC12CCCCC2 ZINC000006772420 204267764 /nfs/dbraw/zinc/26/77/64/204267764.db2.gz GJGSLPBGWNGHPY-QGZVFWFLSA-N 1 0 362.514 3.333 50 0 FGAARO COc1ccc([C@H](CNC(=O)c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000006831595 204274749 /nfs/dbraw/zinc/27/47/49/204274749.db2.gz RBFSNWVRCAYCKB-NRFANRHFSA-N 1 0 367.493 3.328 50 0 FGAARO CCOC(=O)c1oc2ccc(Br)cc2c1CSC(N)=[NH2+] ZINC000007715604 204304863 /nfs/dbraw/zinc/30/48/63/204304863.db2.gz LDYZKCHCPFJZMS-UHFFFAOYSA-N 1 0 357.229 3.499 50 0 FGAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCn1cnc2ccccc21 ZINC000007985801 204312278 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CC[C@H](C)[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036095822 205004098 /nfs/dbraw/zinc/00/40/98/205004098.db2.gz CCAVGQAFZYKWBT-RDJZCZTQSA-N 1 0 353.503 3.480 50 0 FGAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COC(C)C)c1OC ZINC000036103633 205005732 /nfs/dbraw/zinc/00/57/32/205005732.db2.gz RYESPTLSJBSSCG-HXUWFJFHSA-N 1 0 373.493 3.492 50 0 FGAARO Nn1c(=O)c2sc(-c3ccccc3)cc2nc1SCC[NH+]1CCCC1 ZINC000036646149 205019926 /nfs/dbraw/zinc/01/99/26/205019926.db2.gz ICAQKKJJMGPKTG-UHFFFAOYSA-N 1 0 372.519 3.027 50 0 FGAARO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC1CC[NH+](C2CC2)CC1 ZINC000036713683 205020842 /nfs/dbraw/zinc/02/08/42/205020842.db2.gz QRHGPRMRWSMXKJ-UHFFFAOYSA-N 1 0 374.872 3.066 50 0 FGAARO CC(C)c1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc[nH+]cc2)no1 ZINC000072242499 205030393 /nfs/dbraw/zinc/03/03/93/205030393.db2.gz LCRIIHILOWTLEI-OAHLLOKOSA-N 1 0 351.410 3.186 50 0 FGAARO COc1ccc([C@@H]([NH3+])c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000037866148 205035070 /nfs/dbraw/zinc/03/50/70/205035070.db2.gz XWBMYSLAWCIYBM-LJQANCHMSA-N 1 0 354.406 3.317 50 0 FGAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)c2cccc(Cl)c2)CC1 ZINC000040107923 205055904 /nfs/dbraw/zinc/05/59/04/205055904.db2.gz USHJZCYQEYPPOM-UHFFFAOYSA-N 1 0 357.885 3.017 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-n2cccn2)c1)c1cccs1 ZINC000040121830 205058577 /nfs/dbraw/zinc/05/85/77/205058577.db2.gz OGDNESVKAVQTRW-INIZCTEOSA-N 1 0 355.467 3.358 50 0 FGAARO C[NH+](C)Cc1ccccc1CNC(=O)Nc1cccc(-c2nnco2)c1 ZINC000044086546 205106856 /nfs/dbraw/zinc/10/68/56/205106856.db2.gz HHGMVKNHCZDKEQ-UHFFFAOYSA-N 1 0 351.410 3.120 50 0 FGAARO CN(CCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccccc1 ZINC000044916836 205115332 /nfs/dbraw/zinc/11/53/32/205115332.db2.gz BDJZHCKKIOGRNB-UHFFFAOYSA-N 1 0 369.484 3.290 50 0 FGAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000048332012 205157881 /nfs/dbraw/zinc/15/78/81/205157881.db2.gz USRXOUHLZDVUEV-JTDSTZFVSA-N 1 0 362.539 3.201 50 0 FGAARO COc1cc(C[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)cc(OC)c1 ZINC000048742794 205165427 /nfs/dbraw/zinc/16/54/27/205165427.db2.gz UMBYGRYLHOJWRG-UHFFFAOYSA-N 1 0 352.438 3.191 50 0 FGAARO Cc1ccc(C[NH2+]Cc2cccc(NC(=O)CCN3CCOCC3)c2)s1 ZINC000048778129 205165507 /nfs/dbraw/zinc/16/55/07/205165507.db2.gz UDEYHOFZDMDTRK-UHFFFAOYSA-N 1 0 373.522 3.007 50 0 FGAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000054783913 205203241 /nfs/dbraw/zinc/20/32/41/205203241.db2.gz ZPIBEXMRNWSMIO-GOSISDBHSA-N 1 0 363.477 3.459 50 0 FGAARO COC(=O)c1ccccc1C(=O)N(CC[NH+](C)C)Cc1sccc1C ZINC000055271238 205213150 /nfs/dbraw/zinc/21/31/50/205213150.db2.gz AELGIGDDXSOXIL-UHFFFAOYSA-N 1 0 360.479 3.047 50 0 FGAARO O=C(NCC1(c2ccccc2)CC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056422004 205231659 /nfs/dbraw/zinc/23/16/59/205231659.db2.gz YZODXPCMWXYXIN-UHFFFAOYSA-N 1 0 364.493 3.077 50 0 FGAARO O=C(Cc1coc(-c2ccccc2)n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058197293 205259230 /nfs/dbraw/zinc/25/92/30/205259230.db2.gz 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Cc1noc(C)c1C[N@H+](C)CCCCCn1nnc(-c2ccccc2)n1 ZINC000058344172 205272064 /nfs/dbraw/zinc/27/20/64/205272064.db2.gz NQOYQIBRMLJEPY-UHFFFAOYSA-N 1 0 354.458 3.247 50 0 FGAARO C[N@H+](CCNC(=O)CCc1cc2ccccc2[nH]c1=O)C1CCCCC1 ZINC000065245432 205327845 /nfs/dbraw/zinc/32/78/45/205327845.db2.gz PMZSKLVUHQBJHC-UHFFFAOYSA-N 1 0 355.482 3.254 50 0 FGAARO CC[NH+](CC)CCNc1ccc(-c2nc(-c3ccc(F)cc3)no2)nn1 ZINC000064837860 205306249 /nfs/dbraw/zinc/30/62/49/205306249.db2.gz ZWGZQJSFPQNSSV-UHFFFAOYSA-N 1 0 356.405 3.086 50 0 FGAARO Cn1cc(CCC(=O)NCC[NH+]2CCCCCC2)c(-c2ccccc2)n1 ZINC000064860969 205307305 /nfs/dbraw/zinc/30/73/05/205307305.db2.gz RUNMYVOFIPALCW-UHFFFAOYSA-N 1 0 354.498 3.012 50 0 FGAARO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1OC ZINC000065383708 205342878 /nfs/dbraw/zinc/34/28/78/205342878.db2.gz ZOETYYBONIKEKM-CQSZACIVSA-N 1 0 366.889 3.192 50 0 FGAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CC[C@H](n3nc(C)cc3C)C2)c1 ZINC000067605483 205377177 /nfs/dbraw/zinc/37/71/77/205377177.db2.gz LKAVIQZKEUEUGG-SFHVURJKSA-N 1 0 351.454 3.141 50 0 FGAARO O=C(c1cccnc1)N1CCC([NH2+]CCOc2ccccc2Cl)CC1 ZINC000067774848 205390844 /nfs/dbraw/zinc/39/08/44/205390844.db2.gz PIEKZZHDBCNFRK-UHFFFAOYSA-N 1 0 359.857 3.008 50 0 FGAARO COCc1ncc(C[NH+]2CCC(c3nc4c(cccc4C)[nH]3)CC2)cn1 ZINC000067804296 205391996 /nfs/dbraw/zinc/39/19/96/205391996.db2.gz VCRRQPRGIKXPBN-UHFFFAOYSA-N 1 0 351.454 3.187 50 0 FGAARO O=C(N1Cc2cnc(-c3ccccc3)nc2C1)C1([NH+]2CCCC2)CCCC1 ZINC000067841513 205395397 /nfs/dbraw/zinc/39/53/97/205395397.db2.gz DQBJQKCDQIURHW-UHFFFAOYSA-N 1 0 362.477 3.394 50 0 FGAARO COc1ccc(C[NH2+]C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)cc1 ZINC000067878349 205398917 /nfs/dbraw/zinc/39/89/17/205398917.db2.gz LEIWJJYVSIOERX-QFIPXVFZSA-N 1 0 374.525 3.109 50 0 FGAARO Clc1ccccc1-c1cc(CNc2ncnc3c2CC[NH2+]CC3)no1 ZINC000072418597 205535794 /nfs/dbraw/zinc/53/57/94/205535794.db2.gz CXVFCZCOJPVGOW-UHFFFAOYSA-N 1 0 355.829 3.085 50 0 FGAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cc(F)ccc3F)cc2)CC1 ZINC000047284908 206080321 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Cc1c(C(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)c2ccccc2n1C ZINC000004062771 206166318 /nfs/dbraw/zinc/16/63/18/206166318.db2.gz QZEUPOIGYNSYJG-OAHLLOKOSA-N 1 0 355.482 3.050 50 0 FGAARO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1OCc1cccnc1 ZINC000152304135 206183534 /nfs/dbraw/zinc/18/35/34/206183534.db2.gz LONIBTLKBBFRED-OALUTQOASA-N 1 0 356.466 3.310 50 0 FGAARO COc1ccc(CC(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)cc1OC ZINC000008862624 206219827 /nfs/dbraw/zinc/21/98/27/206219827.db2.gz ZYSSSRPYPIEITN-QGZVFWFLSA-N 1 0 374.506 3.261 50 0 FGAARO CC(C)c1ncc(Cl)c(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000108146329 206314777 /nfs/dbraw/zinc/31/47/77/206314777.db2.gz IIRJDLPNRKSCAV-GOEBONIOSA-N 1 0 358.873 3.081 50 0 FGAARO Cc1cccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](n2ccnc2)[C@@H]3O)n1 ZINC000019840565 206333869 /nfs/dbraw/zinc/33/38/69/206333869.db2.gz WJDVAXHLZWYMQA-YADHBBJMSA-N 1 0 374.488 3.084 50 0 FGAARO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012981790 206334009 /nfs/dbraw/zinc/33/40/09/206334009.db2.gz JQBYNBPRAQHTCV-IAGOWNOFSA-N 1 0 351.450 3.364 50 0 FGAARO O=C1NCCN(Cc2cc(C[NH+]3CCCC3)cs2)[C@@H]1c1cccc(F)c1 ZINC000214989415 206343615 /nfs/dbraw/zinc/34/36/15/206343615.db2.gz XXLRGZMMYWKBRN-LJQANCHMSA-N 1 0 373.497 3.156 50 0 FGAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000215721550 206349643 /nfs/dbraw/zinc/34/96/43/206349643.db2.gz GQWXOEYNYCCSIL-INIZCTEOSA-N 1 0 358.449 3.249 50 0 FGAARO CN(CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000215919809 206351137 /nfs/dbraw/zinc/35/11/37/206351137.db2.gz OFVLHXGAGUCSOX-NRFANRHFSA-N 1 0 371.912 3.229 50 0 FGAARO Cn1c(CCNC(=O)CCC[NH+]2Cc3ccccc3C2)nc2ccccc21 ZINC000215865081 206351264 /nfs/dbraw/zinc/35/12/64/206351264.db2.gz DSGRHQBOEHQFPK-UHFFFAOYSA-N 1 0 362.477 3.028 50 0 FGAARO COc1cccc(OCCN(C)C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000216347129 206357759 /nfs/dbraw/zinc/35/77/59/206357759.db2.gz LZRMKNYWHQHTIG-LJQANCHMSA-N 1 0 368.477 3.313 50 0 FGAARO CN1CC[NH+](C2(CNC(=O)c3cc4c(cccc4Cl)[nH]3)CCCC2)CC1 ZINC000216513655 206359833 /nfs/dbraw/zinc/35/98/33/206359833.db2.gz FIOUYLMLTBZACH-UHFFFAOYSA-N 1 0 374.916 3.111 50 0 FGAARO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H](O)c1ccc(O)cc1 ZINC000021866260 206361901 /nfs/dbraw/zinc/36/19/01/206361901.db2.gz YWSQHLKRBQGYPB-KPZWWZAWSA-N 1 0 363.841 3.419 50 0 FGAARO C[NH+](C)C1(CNC(=O)c2ccc(-c3cccc(F)c3)cc2)CCOCC1 ZINC000219759364 206390425 /nfs/dbraw/zinc/39/04/25/206390425.db2.gz BMRYPTFEFVMQMR-UHFFFAOYSA-N 1 0 356.441 3.333 50 0 FGAARO COc1ccc(C)cc1NC(=O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022931637 206395514 /nfs/dbraw/zinc/39/55/14/206395514.db2.gz FMSBPQBUPAAPNT-UHFFFAOYSA-N 1 0 367.493 3.150 50 0 FGAARO O=C(c1ccccc1C(F)(F)F)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000223901117 206450326 /nfs/dbraw/zinc/45/03/26/206450326.db2.gz XOBSBPOGABWIKS-UHFFFAOYSA-N 1 0 370.415 3.016 50 0 FGAARO C[C@H](Oc1ccccc1)C(=O)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000240122639 206546801 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Cc1ncc2c(c1-c1noc(-c3cc(-c4ccccc4)on3)n1)CC[NH2+]C2 ZINC000020481334 494474568 /nfs/dbraw/zinc/47/45/68/494474568.db2.gz JWCUCFYOURLCSS-UHFFFAOYSA-N 1 0 359.389 3.408 50 0 FGAARO CCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000020595159 494477276 /nfs/dbraw/zinc/47/72/76/494477276.db2.gz MCYXNSGNRKKAFN-UHFFFAOYSA-N 1 0 374.710 3.069 50 0 FGAARO Cc1ccc(COc2cccc(C[NH2+]CCCN3CCOCC3)c2)cc1 ZINC000020874431 494481640 /nfs/dbraw/zinc/48/16/40/494481640.db2.gz XWTMOGDCNOGSMB-UHFFFAOYSA-N 1 0 354.494 3.386 50 0 FGAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3ccc4c(c3)OCO4)C2)cc1 ZINC000021175438 494490643 /nfs/dbraw/zinc/49/06/43/494490643.db2.gz KXNQWRXUEIQCEK-KRWDZBQOSA-N 1 0 367.449 3.367 50 0 FGAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1c(C)cc(C)cc1C ZINC000021868585 494508716 /nfs/dbraw/zinc/50/87/16/494508716.db2.gz LSGQXRVZOPZBPP-UHFFFAOYSA-N 1 0 356.466 3.278 50 0 FGAARO COc1ccc(-c2nn3c(nc(C)cc3NCC[NH+](C)C)c2C)cc1OC ZINC000023118846 494550642 /nfs/dbraw/zinc/55/06/42/494550642.db2.gz 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354.498 3.081 50 0 FGAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C1 ZINC000095446387 494975215 /nfs/dbraw/zinc/97/52/15/494975215.db2.gz CVTIZHZVSCSHCM-LBPRGKRZSA-N 1 0 351.401 3.449 50 0 FGAARO COc1ccc2[nH]cc(CC(=O)N[C@@H](C)C[N@H+](C)Cc3ccccc3)c2c1 ZINC000095463203 494976592 /nfs/dbraw/zinc/97/65/92/494976592.db2.gz VDMFCOFQBJOFIK-INIZCTEOSA-N 1 0 365.477 3.356 50 0 FGAARO CN(C)c1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c2ccccc2n1 ZINC000095468857 494977563 /nfs/dbraw/zinc/97/75/63/494977563.db2.gz KBFUKWSPDOYCQO-KRWDZBQOSA-N 1 0 366.509 3.249 50 0 FGAARO COc1ccc(OC)c(CCC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000095469088 494977761 /nfs/dbraw/zinc/97/77/61/494977761.db2.gz OVGYWVWOFFIGGG-AEFFLSMTSA-N 1 0 374.525 3.406 50 0 FGAARO COc1ccc(Nc2nc(C(=O)NCC3(C)CC[NH+](C)CC3)cs2)cc1 ZINC000095468538 494977810 /nfs/dbraw/zinc/97/78/10/494977810.db2.gz ARMCOZFNBPDBDG-UHFFFAOYSA-N 1 0 374.510 3.357 50 0 FGAARO c1ccc(OCCN2CC[NH+](C[C@@H]3CCOc4ccccc4C3)CC2)cc1 ZINC000095497435 494980406 /nfs/dbraw/zinc/98/04/06/494980406.db2.gz ZXDRYMKEZSTHKS-HXUWFJFHSA-N 1 0 366.505 3.324 50 0 FGAARO CC(C)c1nnc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)s1 ZINC000095507162 494982799 /nfs/dbraw/zinc/98/27/99/494982799.db2.gz XDFYVVQCLBQWGL-UHFFFAOYSA-N 1 0 362.547 3.194 50 0 FGAARO CC(C)[NH+]1CCC(CC(=O)N2CCn3cccc3[C@H]2c2cccnc2)CC1 ZINC000095508093 494983573 /nfs/dbraw/zinc/98/35/73/494983573.db2.gz DYGCQSOXCFFRGG-JOCHJYFZSA-N 1 0 366.509 3.325 50 0 FGAARO CC(C)c1nccn1[C@H](C)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000095515170 494984369 /nfs/dbraw/zinc/98/43/69/494984369.db2.gz UOWOTXJONGREKY-OAHLLOKOSA-N 1 0 360.527 3.410 50 0 FGAARO COc1ccc(Cl)cc1NC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000095526469 494987415 /nfs/dbraw/zinc/98/74/15/494987415.db2.gz QPMMEXCHPASQBH-UHFFFAOYSA-N 1 0 369.918 3.394 50 0 FGAARO Cc1nc[nH]c1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000096150306 495004309 /nfs/dbraw/zinc/00/43/09/495004309.db2.gz YJKCNBINTHKTRK-SFHVURJKSA-N 1 0 352.482 3.060 50 0 FGAARO Cc1nnc2n1[C@H](C)CN(C(=O)c1ccc(C[NH+]3CCCCCC3)cc1)C2 ZINC000096140477 495004618 /nfs/dbraw/zinc/00/46/18/495004618.db2.gz ICQQQOGLFWONKT-MRXNPFEDSA-N 1 0 367.497 3.180 50 0 FGAARO C[NH+]1CCC(Cc2nc(C3(c4ccccc4)CCCC3)n(CCO)n2)CC1 ZINC000096160929 495005735 /nfs/dbraw/zinc/00/57/35/495005735.db2.gz GQHORBKGMICAGQ-UHFFFAOYSA-N 1 0 368.525 3.015 50 0 FGAARO Cc1ccc(Cl)c(NC(=O)N2CC[N@@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000096165938 495005928 /nfs/dbraw/zinc/00/59/28/495005928.db2.gz UDJPYPLLGQMXLG-OAHLLOKOSA-N 1 0 353.894 3.205 50 0 FGAARO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(OC)c2c(c1)OCCO2 ZINC000097165682 495026969 /nfs/dbraw/zinc/02/69/69/495026969.db2.gz ZWNORPXTIRZLQH-SFHVURJKSA-N 1 0 357.450 3.240 50 0 FGAARO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc2nccnc21 ZINC000097393924 495034700 /nfs/dbraw/zinc/03/47/00/495034700.db2.gz RYFVPFLMURAHOC-AWEZNQCLSA-N 1 0 352.463 3.086 50 0 FGAARO c1cnn(Cc2ccc(CN3CC[NH+](C4Cc5ccccc5C4)CC3)cc2)c1 ZINC000097660721 495039631 /nfs/dbraw/zinc/03/96/31/495039631.db2.gz UKPVTKKSTRCAJL-UHFFFAOYSA-N 1 0 372.516 3.216 50 0 FGAARO Cc1nc(C)c(CC(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)s1 ZINC000097729822 495044725 /nfs/dbraw/zinc/04/47/25/495044725.db2.gz NVALEROLFVBMHS-QGZVFWFLSA-N 1 0 358.511 3.041 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1)[C@@H]1CCOC1 ZINC000097785616 495045710 /nfs/dbraw/zinc/04/57/10/495045710.db2.gz SUWVRWXKETYCBT-OAQYLSRUSA-N 1 0 364.489 3.471 50 0 FGAARO COCC[N@@H+]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)C1 ZINC000101896724 495105818 /nfs/dbraw/zinc/10/58/18/495105818.db2.gz JAKBUJDICDDJIY-YSTOQKLRSA-N 1 0 374.500 3.339 50 0 FGAARO CC[N@H+](Cc1ccc(C(=O)NC[C@@]2(O)CCc3ccccc32)cc1)C(C)C ZINC000158574810 495541598 /nfs/dbraw/zinc/54/15/98/495541598.db2.gz XTGULOITGLRFRG-QHCPKHFHSA-N 1 0 366.505 3.481 50 0 FGAARO COc1ccccc1NC(=O)C1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000157656243 496523570 /nfs/dbraw/zinc/52/35/70/496523570.db2.gz HPFQYQSVUSPNND-UHFFFAOYSA-N 1 0 364.449 3.194 50 0 FGAARO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc2c(c1)OCCO2 ZINC000188507269 496814038 /nfs/dbraw/zinc/81/40/38/496814038.db2.gz VLXGLHXHSQAMNQ-CYBMUJFWSA-N 1 0 358.404 3.383 50 0 FGAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000247736519 496910012 /nfs/dbraw/zinc/91/00/12/496910012.db2.gz LCEHJVUCBOVVLG-FCHUYYIVSA-N 1 0 373.468 3.384 50 0 FGAARO CC[C@@H](CO)[NH2+]Cc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1 ZINC000248131744 496958999 /nfs/dbraw/zinc/95/89/99/496958999.db2.gz YUHGQMBUYHOJGB-IBGZPJMESA-N 1 0 350.466 3.162 50 0 FGAARO O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)[C@@H]1CCc2ccccc21 ZINC000215148161 496979017 /nfs/dbraw/zinc/97/90/17/496979017.db2.gz HEOSFWVLYMZIDE-OAQYLSRUSA-N 1 0 350.462 3.203 50 0 FGAARO COc1[nH]c2cn(C(C)C)c(=O)c-2cc1C[N@@H+]1CCc2sccc2C1 ZINC000222261517 497021448 /nfs/dbraw/zinc/02/14/48/497021448.db2.gz RTXNTELEUBQQJZ-UHFFFAOYSA-N 1 0 357.479 3.074 50 0 FGAARO CN(C)c1ccc(CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000223075728 497032641 /nfs/dbraw/zinc/03/26/41/497032641.db2.gz LMHMRYGCHHAFHP-OAQYLSRUSA-N 1 0 365.521 3.276 50 0 FGAARO Cc1cccc([C@H](C(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)N(C)C)c1 ZINC000223938459 497045107 /nfs/dbraw/zinc/04/51/07/497045107.db2.gz PWTNPDNHXVVLIC-OAQYLSRUSA-N 1 0 366.509 3.040 50 0 FGAARO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000229785607 497100085 /nfs/dbraw/zinc/10/00/85/497100085.db2.gz CDNXUBZQODHZAP-ZIAGYGMSSA-N 1 0 352.862 3.060 50 0 FGAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1[nH]nc2c1CCc1ccccc1-2 ZINC000229999183 497101867 /nfs/dbraw/zinc/10/18/67/497101867.db2.gz VJJDWCRSDQHGAV-APWZRJJASA-N 1 0 364.493 3.170 50 0 FGAARO CCC[N@H+](CC(=O)Nc1nncs1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000230089031 497101889 /nfs/dbraw/zinc/10/18/89/497101889.db2.gz ULMAIRSIGCGIKQ-HUUCEWRRSA-N 1 0 366.531 3.317 50 0 FGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1c[nH]nc1-c1ccc(F)cc1 ZINC000230205608 497103751 /nfs/dbraw/zinc/10/37/51/497103751.db2.gz HWTXLLNFEDCTJC-YJBOKZPZSA-N 1 0 356.445 3.210 50 0 FGAARO Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000237655865 497271014 /nfs/dbraw/zinc/27/10/14/497271014.db2.gz VCDCLADSSVEPKU-ORAYPTAESA-N 1 0 357.454 3.070 50 0 FGAARO Cc1ccccc1N1CCC[N@H+](CCC(=O)NCc2cccs2)CC1 ZINC000252482228 497302867 /nfs/dbraw/zinc/30/28/67/497302867.db2.gz DBAGZGSBUHQKKQ-UHFFFAOYSA-N 1 0 357.523 3.275 50 0 FGAARO Cc1cccc(NC(=O)CC[NH+]2CCC([C@@H](O)c3ccccn3)CC2)c1C ZINC000252485217 497303889 /nfs/dbraw/zinc/30/38/89/497303889.db2.gz GPDQHEONOCEHRL-JOCHJYFZSA-N 1 0 367.493 3.473 50 0 FGAARO COc1cccc2c1ccn2CC(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253400478 497331560 /nfs/dbraw/zinc/33/15/60/497331560.db2.gz DYADNROGEDNLSS-PKOBYXMFSA-N 1 0 369.509 3.373 50 0 FGAARO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)CCCOc3cccnc3)C1)CCCC2 ZINC000253432180 497333841 /nfs/dbraw/zinc/33/38/41/497333841.db2.gz JBMBRAYLQBDDPM-KRWDZBQOSA-N 1 0 368.481 3.098 50 0 FGAARO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cnn1-c1cccc(F)c1 ZINC000253535638 497337138 /nfs/dbraw/zinc/33/71/38/497337138.db2.gz AMJDVGHRJYTJTI-JXFKEZNVSA-N 1 0 370.472 3.314 50 0 FGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000253623636 497346475 /nfs/dbraw/zinc/34/64/75/497346475.db2.gz CMPGJJNFOSVQBD-HNAYVOBHSA-N 1 0 353.466 3.277 50 0 FGAARO COCCN(C)c1ccc(CN[C@@H](C[NH+]2CCCC2)c2ccccc2)cn1 ZINC000239672657 497350757 /nfs/dbraw/zinc/35/07/57/497350757.db2.gz BUMNYUNGHNYNTE-NRFANRHFSA-N 1 0 368.525 3.091 50 0 FGAARO COc1cc(C(F)(F)F)ncc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000241961250 497353395 /nfs/dbraw/zinc/35/33/95/497353395.db2.gz UQPAREGQVCQWEA-UHFFFAOYSA-N 1 0 372.391 3.105 50 0 FGAARO Cn1c(COc2cccc(C(F)(F)F)c2Cl)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244574909 497365238 /nfs/dbraw/zinc/36/52/38/497365238.db2.gz CTHIUFVOQHVSAV-KYZUINATSA-N 1 0 360.767 3.271 50 0 FGAARO O[C@H]1C[C@@H]([C@@H]([NH2+]C2CSCCSC2)c2cnc3ccccc3c2)C1 ZINC000244601764 497365749 /nfs/dbraw/zinc/36/57/49/497365749.db2.gz DRLHKJJTGNIXID-DKSSEZFCSA-N 1 0 360.548 3.485 50 0 FGAARO CN(C)C(=O)c1cc2c(s1)CCN(Cc1cc(-c3ccncc3)no1)C2 ZINC000244788093 497370292 /nfs/dbraw/zinc/37/02/92/497370292.db2.gz QJGNCYLEWNMPAO-UHFFFAOYSA-N 1 0 368.462 3.058 50 0 FGAARO Cc1nc(CC2CCN(Cc3noc(-c4ccc(C)cc4)n3)CC2)no1 ZINC000244795640 497370614 /nfs/dbraw/zinc/37/06/14/497370614.db2.gz RKTBBOWPZURCAL-UHFFFAOYSA-N 1 0 353.426 3.191 50 0 FGAARO O=C(CC[N@@H+]1CCCC[C@@H]1c1ccccn1)Nc1nnc(C2CC2)s1 ZINC000244796041 497371115 /nfs/dbraw/zinc/37/11/15/497371115.db2.gz RRUMVAQAONMMNL-OAHLLOKOSA-N 1 0 357.483 3.366 50 0 FGAARO CN(CCCn1cccn1)C(=O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000244884190 497373544 /nfs/dbraw/zinc/37/35/44/497373544.db2.gz YHECTPYWRPTMON-UHFFFAOYSA-N 1 0 354.498 3.421 50 0 FGAARO Cn1nc(Cc2ccccc2)n(C2CC[NH+](Cc3cccs3)CC2)c1=O ZINC000257173944 497382876 /nfs/dbraw/zinc/38/28/76/497382876.db2.gz AOWIWHKEWIIPEK-UHFFFAOYSA-N 1 0 368.506 3.071 50 0 FGAARO CCOc1ccc([C@H](C)NC(=O)c2cc(C)ccc2OCC[NH3+])cc1F ZINC000299761398 497915202 /nfs/dbraw/zinc/91/52/02/497915202.db2.gz WEJKUBJGFKRXFG-AWEZNQCLSA-N 1 0 360.429 3.361 50 0 FGAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccn3cnnc23)cc1 ZINC000299771606 497917947 /nfs/dbraw/zinc/91/79/47/497917947.db2.gz ULEVWEXDSIKZJH-LJQANCHMSA-N 1 0 363.465 3.158 50 0 FGAARO COc1ccc([C@@H](NC(=O)C[N@H+](C)C2CCCC2)c2ccncc2)cc1 ZINC000299782908 497922544 /nfs/dbraw/zinc/92/25/44/497922544.db2.gz GOMNOQFFABTCLX-OAQYLSRUSA-N 1 0 353.466 3.170 50 0 FGAARO C[NH+](C)[C@H]1CN(C(=O)Nc2cc(C(C)(C)C)ccc2C(C)(C)C)C[C@@H]1O ZINC000299792108 497925847 /nfs/dbraw/zinc/92/58/47/497925847.db2.gz FCIKIURMKBMXFA-ROUUACIJSA-N 1 0 361.530 3.420 50 0 FGAARO O=C(NCc1cccc(CO)c1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299795505 497926786 /nfs/dbraw/zinc/92/67/86/497926786.db2.gz LQLMNBOTFXYPBO-HBMCJLEFSA-N 1 0 350.462 3.021 50 0 FGAARO CC(C)c1cc(C(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)c(O)c(C(C)C)c1 ZINC000299802798 497929002 /nfs/dbraw/zinc/92/90/02/497929002.db2.gz PZSWSSDWFLIDPI-GOSISDBHSA-N 1 0 373.541 3.101 50 0 FGAARO CCOc1ccccc1C[N@@H+]1CC[C@H](Cc2nc(-c3ccncc3)n[nH]2)C1 ZINC000575543508 505980173 /nfs/dbraw/zinc/98/01/73/505980173.db2.gz ZCLLBWMRNDWBNS-MRXNPFEDSA-N 1 0 363.465 3.330 50 0 FGAARO COc1ccc(C(=O)N2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)c(OC)c1 ZINC000575548743 505980305 /nfs/dbraw/zinc/98/03/05/505980305.db2.gz JKOYCYAXTMDUJZ-HNNXBMFYSA-N 1 0 355.438 3.173 50 0 FGAARO COc1ccncc1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000294430692 498691138 /nfs/dbraw/zinc/69/11/38/498691138.db2.gz GINYDERKCROKBO-UHFFFAOYSA-N 1 0 353.466 3.009 50 0 FGAARO C[NH+](C)[C@H]1CN(C(=O)c2cccc(-c3csc4ccccc43)c2)C[C@@H]1O ZINC000426518416 500283756 /nfs/dbraw/zinc/28/37/56/500283756.db2.gz XBLLBBGJSFIDNO-OALUTQOASA-N 1 0 366.486 3.315 50 0 FGAARO O=C(NC[C@H](c1ccccc1F)[NH+]1CCCC1)N1CC(c2ccccn2)C1 ZINC000426632944 500297870 /nfs/dbraw/zinc/29/78/70/500297870.db2.gz VYUSEDIURUTPJP-HXUWFJFHSA-N 1 0 368.456 3.167 50 0 FGAARO CCc1oc(C(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1C[NH+]1CCCC1 ZINC000426647048 500300201 /nfs/dbraw/zinc/30/02/01/500300201.db2.gz JBCYEZTUDLKOFT-QGZVFWFLSA-N 1 0 370.497 3.187 50 0 FGAARO Cc1cc(F)ccc1-c1cccc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1 ZINC000426674006 500304869 /nfs/dbraw/zinc/30/48/69/500304869.db2.gz HWQCLQYCHDOEKK-FQEVSTJZSA-N 1 0 370.468 3.378 50 0 FGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3c(C)[nH]nc3C3CC3)CC2)o1 ZINC000426701466 500308147 /nfs/dbraw/zinc/30/81/47/500308147.db2.gz RAMNOSFVCKLZHU-UHFFFAOYSA-N 1 0 356.470 3.139 50 0 FGAARO COCc1nocc1C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000485795408 501940357 /nfs/dbraw/zinc/94/03/57/501940357.db2.gz NNDMFHUTVOYUBA-IBGZPJMESA-N 1 0 371.481 3.024 50 0 FGAARO C[C@@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000527889392 503986237 /nfs/dbraw/zinc/98/62/37/503986237.db2.gz YPHHMHHXNQTLLI-OAHLLOKOSA-N 1 0 365.905 3.297 50 0 FGAARO CCOCCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019999262 519894766 /nfs/dbraw/zinc/89/47/66/519894766.db2.gz QBMYRWCLYGBCBI-UHFFFAOYSA-N 1 0 352.478 3.401 50 0 FGAARO CCOc1cc(C[NH2+]Cc2ccco2)ccc1OCC(=O)NC(C)(C)C ZINC000007523706 520724897 /nfs/dbraw/zinc/72/48/97/520724897.db2.gz NRLNKNXDAKUYJC-UHFFFAOYSA-N 1 0 360.454 3.262 50 0 FGAARO CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]cnc2C)C3)cc1 ZINC000091645636 520979648 /nfs/dbraw/zinc/97/96/48/520979648.db2.gz UFYBMTDMSNCDRK-RBUKOAKNSA-N 1 0 354.498 3.213 50 0 FGAARO COc1cc(Br)cc(CNCCC[NH+](C)C)c1OC(C)C ZINC000040719574 522027775 /nfs/dbraw/zinc/02/77/75/522027775.db2.gz LCYADVBUIFMKQX-UHFFFAOYSA-N 1 0 359.308 3.286 50 0 FGAARO COCC[NH+]1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000085467988 523813122 /nfs/dbraw/zinc/81/31/22/523813122.db2.gz WWEWXQGOIOYCKX-UHFFFAOYSA-N 1 0 352.478 3.046 50 0 FGAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000019888734 524301492 /nfs/dbraw/zinc/30/14/92/524301492.db2.gz FXMXDGFVPRPHMM-NVXWUHKLSA-N 1 0 350.890 3.442 50 0 FGAARO C[C@@H](C[N@@H+]1CCn2nc(CCC(=O)N3CCCC3)cc2C1)c1ccccc1 ZINC000091288589 524632737 /nfs/dbraw/zinc/63/27/37/524632737.db2.gz 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CNc1snc(C)c1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058202486 205259665 /nfs/dbraw/zinc/25/96/65/205259665.db2.gz KPZBMYXPNTUHPS-ZDUSSCGKSA-N 1 0 364.540 3.197 50 0 FGAARO CNc1snc(C)c1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058202487 205260171 /nfs/dbraw/zinc/26/01/71/205260171.db2.gz KPZBMYXPNTUHPS-CYBMUJFWSA-N 1 0 364.540 3.197 50 0 FGAARO CC(C)(C)n1cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000058227272 205265388 /nfs/dbraw/zinc/26/53/88/205265388.db2.gz PUBFTWOBFVMLBF-UHFFFAOYSA-N 1 0 360.527 3.342 50 0 FGAARO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000064590841 205302093 /nfs/dbraw/zinc/30/20/93/205302093.db2.gz XTFPUKXLYHFMJU-UHFFFAOYSA-N 1 0 351.450 3.424 50 0 FGAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cc2c(F)cccc2F)CC1 ZINC000058431970 205276143 /nfs/dbraw/zinc/27/61/43/205276143.db2.gz VLHVJFOPUVFCCD-AWEZNQCLSA-N 1 0 353.457 3.315 50 0 FGAARO COc1cccc(C[N@H+]2CC=C(C(=O)NCc3cc(F)ccc3F)CC2)c1 ZINC000064817988 205305858 /nfs/dbraw/zinc/30/58/58/205305858.db2.gz WHCJBKTWZXKSCD-UHFFFAOYSA-N 1 0 372.415 3.422 50 0 FGAARO COc1ccc2nc3oc(C(=O)NCC[NH+]4CCC(C)CC4)cc3cc2c1 ZINC000065331048 205336779 /nfs/dbraw/zinc/33/67/79/205336779.db2.gz HLZGNECTIUODHF-UHFFFAOYSA-N 1 0 367.449 3.451 50 0 FGAARO C[NH+]1CCC(Oc2ccc(NC(=O)COc3ccccc3F)cc2)CC1 ZINC000065362674 205338453 /nfs/dbraw/zinc/33/84/53/205338453.db2.gz VRWCLAOLJJZVHG-UHFFFAOYSA-N 1 0 358.413 3.316 50 0 FGAARO CCCCc1c(-c2ccccc2)ncn1CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000065370666 205340253 /nfs/dbraw/zinc/34/02/53/205340253.db2.gz OPIWWCBLRGRSBH-LJQANCHMSA-N 1 0 368.525 3.480 50 0 FGAARO O=C(Nc1cccc2c1CCCC2)c1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000065405738 205346209 /nfs/dbraw/zinc/34/62/09/205346209.db2.gz AQCDFXDONXUPGG-IBGZPJMESA-N 1 0 350.462 3.384 50 0 FGAARO CC(C)[NH+]1CCC(CC(=O)N(C)Cc2nnc(-c3ccccc3)o2)CC1 ZINC000065398239 205346896 /nfs/dbraw/zinc/34/68/96/205346896.db2.gz FLYWZNWXTBFXNU-UHFFFAOYSA-N 1 0 356.470 3.206 50 0 FGAARO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)c2cnn(-c3ccccc3F)c2)CC1 ZINC000065417331 205349143 /nfs/dbraw/zinc/34/91/43/205349143.db2.gz OSRIESRDBVHDOA-HNNXBMFYSA-N 1 0 358.461 3.309 50 0 FGAARO c1ccc(C2(CNc3cc([C@@H]4CCC[NH2+]C4)ncn3)CCOCC2)cc1 ZINC000067560945 205374384 /nfs/dbraw/zinc/37/43/84/205374384.db2.gz AXLXOGSLKQXSCO-QGZVFWFLSA-N 1 0 352.482 3.104 50 0 FGAARO CC[C@H](Nc1nc(-c2ccncc2)nc2c1CC[NH2+]C2)c1ncccc1C ZINC000067678019 205381345 /nfs/dbraw/zinc/38/13/45/205381345.db2.gz IQSAZWRYXIAZAV-KRWDZBQOSA-N 1 0 360.465 3.451 50 0 FGAARO C[C@@H]([NH3+])CC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067692653 205383186 /nfs/dbraw/zinc/38/31/86/205383186.db2.gz HCQQGMQAOVXBPF-GFCCVEGCSA-N 1 0 360.841 3.171 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[C@H]3c3cccs3)cnn2c1 ZINC000067713319 205385281 /nfs/dbraw/zinc/38/52/81/205385281.db2.gz GIJUHGITZQUCME-INIZCTEOSA-N 1 0 369.494 3.220 50 0 FGAARO CCCSc1ncc(C[NH+]2CCC3(CC2)CCC(=O)N(C)CC3)cn1 ZINC000067841093 205395563 /nfs/dbraw/zinc/39/55/63/205395563.db2.gz UNTGWVFGPNQATR-UHFFFAOYSA-N 1 0 362.543 3.203 50 0 FGAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000067842661 205395599 /nfs/dbraw/zinc/39/55/99/205395599.db2.gz JIMJXQWGKVXPQD-RDJZCZTQSA-N 1 0 361.873 3.026 50 0 FGAARO CCC[NH+]1CCC(Cc2noc(-c3cc(=O)[nH]c4ccc(F)cc43)n2)CC1 ZINC000067879076 205399126 /nfs/dbraw/zinc/39/91/26/205399126.db2.gz ZAVGMHYQWPGVQR-UHFFFAOYSA-N 1 0 370.428 3.382 50 0 FGAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000067935233 205404991 /nfs/dbraw/zinc/40/49/91/205404991.db2.gz NEUJTPPTQPTPPK-NRFANRHFSA-N 1 0 353.466 3.497 50 0 FGAARO Cc1cc(NCCCC[NH2+]C[C@H]2COc3ccccc3O2)nc(=S)[nH]1 ZINC000071775405 205445968 /nfs/dbraw/zinc/44/59/68/205445968.db2.gz OIRDPYMICSTORW-AWEZNQCLSA-N 1 0 360.483 3.069 50 0 FGAARO COc1ccc(CC[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1OC ZINC000071770898 205446958 /nfs/dbraw/zinc/44/69/58/205446958.db2.gz PGOHAEXEJLMTOL-UHFFFAOYSA-N 1 0 368.477 3.141 50 0 FGAARO COCCn1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC000072297645 205504263 /nfs/dbraw/zinc/50/42/63/205504263.db2.gz HXDVJSHADOKWSB-GOSISDBHSA-N 1 0 369.509 3.236 50 0 FGAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000077553770 205612416 /nfs/dbraw/zinc/61/24/16/205612416.db2.gz QRYIBESKFGIKTB-UHFFFAOYSA-N 1 0 362.477 3.228 50 0 FGAARO Cc1c2ccccc2[nH]c1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091326981 205670032 /nfs/dbraw/zinc/67/00/32/205670032.db2.gz BJSXPSNIVQMGHO-QZTJIDSGSA-N 1 0 369.509 3.033 50 0 FGAARO COc1ccc(F)c(F)c1C(=O)N1CCC(C2CC[NH+](C)CC2)CC1 ZINC000091872875 205700572 /nfs/dbraw/zinc/70/05/72/205700572.db2.gz FGDWVYRPBIFAPW-UHFFFAOYSA-N 1 0 352.425 3.167 50 0 FGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000095530905 205787475 /nfs/dbraw/zinc/78/74/75/205787475.db2.gz KYZYHULCHDIKKA-QGZVFWFLSA-N 1 0 355.486 3.246 50 0 FGAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)c1cc(-c2ccccc2)n[nH]1 ZINC000097514972 205912904 /nfs/dbraw/zinc/91/29/04/205912904.db2.gz RNFCMKYCEDBEQZ-UHFFFAOYSA-N 1 0 370.522 3.167 50 0 FGAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000107071447 206018283 /nfs/dbraw/zinc/01/82/83/206018283.db2.gz CYIVDQIFBCZBCZ-UZLBHIALSA-N 1 0 367.534 3.014 50 0 FGAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000237428017 206103864 /nfs/dbraw/zinc/10/38/64/206103864.db2.gz ZKOHIZUAYVEQAJ-UWVGGRQHSA-N 1 0 370.824 3.107 50 0 FGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000237496478 206105618 /nfs/dbraw/zinc/10/56/18/206105618.db2.gz ZRXDSEVRMYZSLJ-GOEBONIOSA-N 1 0 354.425 3.256 50 0 FGAARO COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@H]1COc3ccccc3O1)CC2 ZINC000004024842 206163114 /nfs/dbraw/zinc/16/31/14/206163114.db2.gz DLTRURUXNANRAY-HOCLYGCPSA-N 1 0 355.434 3.463 50 0 FGAARO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 ZINC000101106954 206226100 /nfs/dbraw/zinc/22/61/00/206226100.db2.gz XXVZGWNHSCGMCT-ACDBMABISA-N 1 0 351.446 3.091 50 0 FGAARO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cnc(-c3ccc(C)o3)s2)C1(C)C ZINC000170602242 206272310 /nfs/dbraw/zinc/27/23/10/206272310.db2.gz UPKWBHXSWKTCAW-QAPCUYQASA-N 1 0 350.484 3.367 50 0 FGAARO COc1ccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1NC(C)=O ZINC000172455769 206282159 /nfs/dbraw/zinc/28/21/59/206282159.db2.gz DXTGBLMNFZDTGD-UHFFFAOYSA-N 1 0 374.485 3.136 50 0 FGAARO CCc1nnsc1C(=O)NCC1([NH+]2CCC(C)CC2)CCCCC1 ZINC000011903872 206287303 /nfs/dbraw/zinc/28/73/03/206287303.db2.gz GOMWYLHCFBCWKV-UHFFFAOYSA-N 1 0 350.532 3.265 50 0 FGAARO O=C(CCc1ccccc1)NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000012197294 206288955 /nfs/dbraw/zinc/28/89/55/206288955.db2.gz JYSQIZHPCBVPAA-LJQANCHMSA-N 1 0 366.461 3.301 50 0 FGAARO C[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)C1 ZINC000106927244 206313351 /nfs/dbraw/zinc/31/33/51/206313351.db2.gz XAOXUKMQOOHPQV-GXTWGEPZSA-N 1 0 369.918 3.133 50 0 FGAARO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000012551528 206333001 /nfs/dbraw/zinc/33/30/01/206333001.db2.gz KPWGPNSNLBJRFJ-KURKYZTESA-N 1 0 352.478 3.390 50 0 FGAARO C[NH+]1CCC(N(Cc2ccc(-c3cc[nH]n3)o2)Cc2cccnc2)CC1 ZINC000216287330 206357957 /nfs/dbraw/zinc/35/79/57/206357957.db2.gz ZNPYNUUJKBAVRX-UHFFFAOYSA-N 1 0 351.454 3.161 50 0 FGAARO c1cn(CCOc2ccc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)cc2)cn1 ZINC000214997282 206342740 /nfs/dbraw/zinc/34/27/40/206342740.db2.gz KDACUXKQTQASDM-IBGZPJMESA-N 1 0 363.465 3.132 50 0 FGAARO CC[N@@H+](Cc1ccc(Cn2cccn2)cc1)C[C@@H](O)c1cccc(O)c1 ZINC000215307259 206345184 /nfs/dbraw/zinc/34/51/84/206345184.db2.gz HIRQPLUJEPZZGZ-OAQYLSRUSA-N 1 0 351.450 3.193 50 0 FGAARO c1cn(CCOc2ccc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)cc2)cn1 ZINC000215284080 206345465 /nfs/dbraw/zinc/34/54/65/206345465.db2.gz AINXAWOSESGZBE-UHFFFAOYSA-N 1 0 373.460 3.438 50 0 FGAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000215721597 206350732 /nfs/dbraw/zinc/35/07/32/206350732.db2.gz GQWXOEYNYCCSIL-MRXNPFEDSA-N 1 0 358.449 3.249 50 0 FGAARO COc1ccc(-c2n[nH]cc2CN2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000216301843 206358365 /nfs/dbraw/zinc/35/83/65/206358365.db2.gz JOJFAQCOURPFMX-UHFFFAOYSA-N 1 0 372.538 3.099 50 0 FGAARO FC1(F)CC[NH+](Cc2cccc(OCCCN3CCOCC3)c2)CC1 ZINC000215998850 206353585 /nfs/dbraw/zinc/35/35/85/206353585.db2.gz BENPQQUGBJEXGI-UHFFFAOYSA-N 1 0 354.441 3.019 50 0 FGAARO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2sccc2C)cc1 ZINC000058169738 206394361 /nfs/dbraw/zinc/39/43/61/206394361.db2.gz RFMLFQXUENVEBM-UHFFFAOYSA-N 1 0 352.525 3.377 50 0 FGAARO Cc1cccc(CS(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)c1 ZINC000022999921 206397319 /nfs/dbraw/zinc/39/73/19/206397319.db2.gz XMFOKKWZEUNCKZ-UHFFFAOYSA-N 1 0 350.528 3.069 50 0 FGAARO CCc1nnc(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000244796104 206557394 /nfs/dbraw/zinc/55/73/94/206557394.db2.gz RSYLXVIWCDVPEE-UHFFFAOYSA-N 1 0 358.511 3.407 50 0 FGAARO CC(=O)N[C@@H]1C[N@H+](C2CCN(c3cccc(Cl)c3)CC2)C[C@H]1C(C)C ZINC000077440894 132185460 /nfs/dbraw/zinc/18/54/60/132185460.db2.gz JUDYCNSHZLNJII-VQTJNVASSA-N 1 0 363.933 3.401 50 0 FGAARO CSc1nccc(N2CCC([NH2+]C[C@@H]3OCCc4ccccc43)CC2)n1 ZINC000095370819 132208647 /nfs/dbraw/zinc/20/86/47/132208647.db2.gz VSSPGKCESVTPKY-SFHVURJKSA-N 1 0 370.522 3.071 50 0 FGAARO CCCc1nc(C)cc(N2CCC([NH+]3CC(n4nc(C)cc4C)C3)CC2)n1 ZINC000095504961 132212727 /nfs/dbraw/zinc/21/27/27/132212727.db2.gz VGFZXXPGTMAXRR-UHFFFAOYSA-N 1 0 368.529 3.077 50 0 FGAARO Cc1nc2scc(CC(C)C)c2c(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000170601963 132264566 /nfs/dbraw/zinc/26/45/66/132264566.db2.gz GWIIFDSXYUHLPL-UONOGXRCSA-N 1 0 362.543 3.090 50 0 FGAARO Cc1cc(N2CCN(Cc3ccc(C4CCCC4)s3)CC2)nc(N)[nH+]1 ZINC000216204065 132271277 /nfs/dbraw/zinc/27/12/77/132271277.db2.gz CKJVFOBFQNAOIV-UHFFFAOYSA-N 1 0 357.527 3.409 50 0 FGAARO Cc1ccc2[nH+]ccc(N3CCn4nc(CNc5cnccn5)cc4C3)c2c1 ZINC000299771347 132298583 /nfs/dbraw/zinc/29/85/83/132298583.db2.gz YZULMXAYCVZJHP-UHFFFAOYSA-N 1 0 371.448 3.162 50 0 FGAARO Fc1ccc(Br)cc1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000237724501 132376542 /nfs/dbraw/zinc/37/65/42/132376542.db2.gz 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493889770 /nfs/dbraw/zinc/88/97/70/493889770.db2.gz MWUJBTUVEGIGEM-UHFFFAOYSA-N 1 0 353.466 3.480 50 0 FGAARO c1ccc2c(c1)snc2N1CC[NH+]([C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000082109457 493979405 /nfs/dbraw/zinc/97/94/05/493979405.db2.gz BXMFJTQQVLNPND-INIZCTEOSA-N 1 0 373.522 3.147 50 0 FGAARO Cc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccc(F)cc2n1 ZINC000082109472 493979630 /nfs/dbraw/zinc/97/96/30/493979630.db2.gz MXFIZPYYLFXMIT-KRWDZBQOSA-N 1 0 371.456 3.056 50 0 FGAARO Cc1cc(C)nc(NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)n1 ZINC000082140903 493980817 /nfs/dbraw/zinc/98/08/17/493980817.db2.gz YGJUUPWPAYWFQG-UHFFFAOYSA-N 1 0 354.502 3.440 50 0 FGAARO CSc1ccc(C(=O)NCc2cc3n(n2)CC[N@H+](CC(C)C)C3)cc1 ZINC000082137419 493981346 /nfs/dbraw/zinc/98/13/46/493981346.db2.gz LPDCWNUFKVEYBE-UHFFFAOYSA-N 1 0 358.511 3.007 50 0 FGAARO COc1ccc(C)cc1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC000032495664 493993774 /nfs/dbraw/zinc/99/37/74/493993774.db2.gz BCDKDYALNSFFBJ-UHFFFAOYSA-N 1 0 367.493 3.245 50 0 FGAARO 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Cc1c(C)n(CCC[NH+](C)C)c(N)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012372560 494228137 /nfs/dbraw/zinc/22/81/37/494228137.db2.gz YTCQISNBNWJYJF-UHFFFAOYSA-N 1 0 369.918 3.125 50 0 FGAARO C[C@@H](Cc1cccnc1)NC(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000012430723 494232578 /nfs/dbraw/zinc/23/25/78/494232578.db2.gz RXTHMUBTBCDKIN-SFHVURJKSA-N 1 0 363.505 3.152 50 0 FGAARO c1cc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)cc2nonc12 ZINC000012449271 494234933 /nfs/dbraw/zinc/23/49/33/494234933.db2.gz SWJVWDPKBLPMJI-INIZCTEOSA-N 1 0 366.421 3.071 50 0 FGAARO CCc1nc(C)c(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)o1 ZINC000012587366 494244280 /nfs/dbraw/zinc/24/42/80/494244280.db2.gz YALMLAKLABRNSP-SFHVURJKSA-N 1 0 355.482 3.372 50 0 FGAARO O=C(CCC(=O)c1ccccc1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012594878 494245797 /nfs/dbraw/zinc/24/57/97/494245797.db2.gz XVFHDDPCPXTUBS-NRFANRHFSA-N 1 0 364.489 3.473 50 0 FGAARO CN1CCC([N@@H+]2CCC[C@H](CNC(=O)c3cccc4ccccc43)C2)CC1 ZINC000012711668 494252348 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C[C@H]1C[NH+](CCCNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C[C@H](C)O1 ZINC000012930015 494271448 /nfs/dbraw/zinc/27/14/48/494271448.db2.gz ZVTXJEGVOKYFCV-HOTGVXAUSA-N 1 0 369.509 3.276 50 0 FGAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012945935 494271654 /nfs/dbraw/zinc/27/16/54/494271654.db2.gz BOEKYTHTXPRIMQ-OAQYLSRUSA-N 1 0 352.478 3.440 50 0 FGAARO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1cccs1 ZINC000014142354 494306688 /nfs/dbraw/zinc/30/66/88/494306688.db2.gz BOQSINUYGZTSQU-LLVKDONJSA-N 1 0 361.858 3.272 50 0 FGAARO Cc1ccc(CSCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000014161163 494307038 /nfs/dbraw/zinc/30/70/38/494307038.db2.gz IHCHFVKTPPOZCQ-UHFFFAOYSA-N 1 0 370.522 3.014 50 0 FGAARO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@@H]([NH+]1CCCCCC1)C2 ZINC000014744164 494324629 /nfs/dbraw/zinc/32/46/29/494324629.db2.gz HLBIISUCORJADQ-OAHLLOKOSA-N 1 0 372.538 3.145 50 0 FGAARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](C/C=C/c3ccco3)CC2)C1=O ZINC000014742064 494324739 /nfs/dbraw/zinc/32/47/39/494324739.db2.gz MVLLKLLSNGKJHW-FNORWQNLSA-N 1 0 373.497 3.458 50 0 FGAARO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1I ZINC000078606757 494329388 /nfs/dbraw/zinc/32/93/88/494329388.db2.gz WZNCNGUTZRHNEL-QWRGUYRKSA-N 1 0 360.239 3.252 50 0 FGAARO CC(C)(C)CN1C[C@@H]([NH2+]Cc2ccc(Oc3ncccn3)cc2)CC1=O ZINC000015061991 494335365 /nfs/dbraw/zinc/33/53/65/494335365.db2.gz JGDLPFSIJISJQU-INIZCTEOSA-N 1 0 354.454 3.006 50 0 FGAARO COc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000015072327 494336814 /nfs/dbraw/zinc/33/68/14/494336814.db2.gz AOEJRUZFJXDTMP-GOSISDBHSA-N 1 0 369.461 3.161 50 0 FGAARO CCOc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2OC)cc1 ZINC000016684486 494399319 /nfs/dbraw/zinc/39/93/19/494399319.db2.gz ZRTCXSKECFXRTG-MRXNPFEDSA-N 1 0 356.466 3.403 50 0 FGAARO CCC[C@@H](C[NH2+]Cc1cc(OC)cc(OC)c1)NC(=O)OC(C)(C)C ZINC000089949515 494410022 /nfs/dbraw/zinc/41/00/22/494410022.db2.gz UXLAPDSRNYKBPK-HNNXBMFYSA-N 1 0 352.475 3.487 50 0 FGAARO C[N@H+](CCNC(=O)c1noc2c1COc1ccccc1-2)C1CCCCC1 ZINC000020105350 494466426 /nfs/dbraw/zinc/46/64/26/494466426.db2.gz DISGNWXVPBZJOT-UHFFFAOYSA-N 1 0 355.438 3.228 50 0 FGAARO CC1=C(C(=O)Nc2ccc(Cl)cc2)C2(CC[NH+](C(C)C)CC2)OC1=O ZINC000020581633 494476852 /nfs/dbraw/zinc/47/68/52/494476852.db2.gz GJXPTGHMDSUQFL-UHFFFAOYSA-N 1 0 362.857 3.395 50 0 FGAARO C[NH+]1CCN(CCOc2ccc3c(c2)occ(-c2ccccc2)c3=O)CC1 ZINC000020573732 494476859 /nfs/dbraw/zinc/47/68/59/494476859.db2.gz IGTQHBXSXJYERP-UHFFFAOYSA-N 1 0 364.445 3.086 50 0 FGAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020725859 494480183 /nfs/dbraw/zinc/48/01/83/494480183.db2.gz IYSHTCDXPCELGZ-INIZCTEOSA-N 1 0 360.420 3.003 50 0 FGAARO CCCOc1c(Br)cc(C[NH2+]CCO)cc1Br ZINC000020926696 494484223 /nfs/dbraw/zinc/48/42/23/494484223.db2.gz YXMQEHKDGZLMIP-UHFFFAOYSA-N 1 0 367.081 3.082 50 0 FGAARO COc1ccc([C@H](CNC(=O)c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000021911945 494510157 /nfs/dbraw/zinc/51/01/57/494510157.db2.gz IOFBVPBBCYDLCW-FQEVSTJZSA-N 1 0 354.450 3.271 50 0 FGAARO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000022911902 494542230 /nfs/dbraw/zinc/54/22/30/494542230.db2.gz ZJMSALJNMRMMAH-SFHVURJKSA-N 1 0 369.484 3.321 50 0 FGAARO Cc1cc(C)c(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000023133716 494551641 /nfs/dbraw/zinc/55/16/41/494551641.db2.gz HBQRUOMINNGAKD-UHFFFAOYSA-N 1 0 367.493 3.381 50 0 FGAARO Cn1cc([C@@H](CNC(=O)Cc2ccc(F)cc2)[NH+](C)C)c2ccccc21 ZINC000023239730 494557221 /nfs/dbraw/zinc/55/72/21/494557221.db2.gz NLFFNYZAEAJEDX-HXUWFJFHSA-N 1 0 353.441 3.279 50 0 FGAARO Clc1ccccc1COc1cccc(C[NH2+]CCN2CCOCC2)c1 ZINC000023468460 494568145 /nfs/dbraw/zinc/56/81/45/494568145.db2.gz QVROZYWXGAZSRN-UHFFFAOYSA-N 1 0 360.885 3.341 50 0 FGAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccnc1N1CCCC1 ZINC000023731848 494577802 /nfs/dbraw/zinc/57/78/02/494577802.db2.gz QUPQYGOAOFZLOT-UHFFFAOYSA-N 1 0 364.493 3.208 50 0 FGAARO CCCc1nnc(N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)s1 ZINC000091493423 494611185 /nfs/dbraw/zinc/61/11/85/494611185.db2.gz QBQAACGHIACCKG-UHFFFAOYSA-N 1 0 374.558 3.224 50 0 FGAARO COc1ccc([C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]2[NH3+])cc1 ZINC000091574247 494618100 /nfs/dbraw/zinc/61/81/00/494618100.db2.gz OREZMBODUHTQSL-SJORKVTESA-N 1 0 364.367 3.281 50 0 FGAARO COc1ccc(F)c(C[NH+]2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1 ZINC000091680621 494644689 /nfs/dbraw/zinc/64/46/89/494644689.db2.gz HGRDEPSVJBYDLD-UHFFFAOYSA-N 1 0 360.473 3.449 50 0 FGAARO O=C1CC2(CN1Cc1ccc(F)c(F)c1)CC[NH+](Cc1ccncc1)CC2 ZINC000091706924 494653073 /nfs/dbraw/zinc/65/30/73/494653073.db2.gz LTZQXQIWFKKQJS-UHFFFAOYSA-N 1 0 371.431 3.375 50 0 FGAARO O=C(c1ccc2ncccc2c1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccn2)C1 ZINC000091707317 494654790 /nfs/dbraw/zinc/65/47/90/494654790.db2.gz GCSAFCRXPQBUGI-DYESRHJHSA-N 1 0 372.472 3.366 50 0 FGAARO Cc1csc2nc(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)cc(=O)n12 ZINC000024763732 494661573 /nfs/dbraw/zinc/66/15/73/494661573.db2.gz PQJUSAVPPWJVLQ-LJQANCHMSA-N 1 0 369.490 3.010 50 0 FGAARO CCc1ccc(CCNc2nc(-c3ccncc3)nc3c2CC[NH2+]C3)cc1 ZINC000067885047 494680754 /nfs/dbraw/zinc/68/07/54/494680754.db2.gz KIMUVWDUWABGLP-UHFFFAOYSA-N 1 0 359.477 3.401 50 0 FGAARO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@H+](CCC(=O)NCc1ccc(F)cc1)C2 ZINC000091849007 494704390 /nfs/dbraw/zinc/70/43/90/494704390.db2.gz LWNNLJNSDHMYOO-PZJWPPBQSA-N 1 0 373.516 3.194 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(Nc2ncccn2)c1)c1ccsc1 ZINC000025332434 494726082 /nfs/dbraw/zinc/72/60/82/494726082.db2.gz BAEDYCQHDJSBHD-KRWDZBQOSA-N 1 0 367.478 3.314 50 0 FGAARO Cn1ccnc1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000091943281 494729683 /nfs/dbraw/zinc/72/96/83/494729683.db2.gz CLNKTTNGLSIEGV-FQEVSTJZSA-N 1 0 366.509 3.181 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)CSc1cc(F)ccc1F)c1ccccc1 ZINC000025402748 494732868 /nfs/dbraw/zinc/73/28/68/494732868.db2.gz AHCRQMPDNREAHE-MRXNPFEDSA-N 1 0 350.434 3.476 50 0 FGAARO CCCn1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)c(C)n1 ZINC000091966484 494739427 /nfs/dbraw/zinc/73/94/27/494739427.db2.gz KDFJMXQVQSTJNV-IBGZPJMESA-N 1 0 358.461 3.308 50 0 FGAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091997451 494747796 /nfs/dbraw/zinc/74/77/96/494747796.db2.gz UTIDNYSOQQCCSB-HNNXBMFYSA-N 1 0 361.873 3.062 50 0 FGAARO O=C(NCc1cccc(F)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000092028347 494759387 /nfs/dbraw/zinc/75/93/87/494759387.db2.gz HNPRYNOAVWELCZ-AZUAARDMSA-N 1 0 368.456 3.027 50 0 FGAARO Cc1ccc(-c2ccc(C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@]4(C(=O)[O-])C3)o2)cc1 ZINC000092066427 494773123 /nfs/dbraw/zinc/77/31/23/494773123.db2.gz OACRMQOHIUQZSU-UWJYYQICSA-N 1 0 354.450 3.093 50 0 FGAARO c1sc(-c2cn(Cc3cn4ccccc4n3)nn2)cc1C[NH+]1CCCC1 ZINC000092062310 494774394 /nfs/dbraw/zinc/77/43/94/494774394.db2.gz SBCFAWXKXZKTNK-UHFFFAOYSA-N 1 0 364.478 3.298 50 0 FGAARO CCN1CC[C@]2(C[N@H+](Cc3oc4ccccc4c3C)CCN2C)CCC1=O ZINC000092078138 494781744 /nfs/dbraw/zinc/78/17/44/494781744.db2.gz VJZFALQXDNYTNO-QFIPXVFZSA-N 1 0 369.509 3.260 50 0 FGAARO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000025856013 494784102 /nfs/dbraw/zinc/78/41/02/494784102.db2.gz FBBOXYLRRXASGW-UHFFFAOYSA-N 1 0 368.412 3.334 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cccs1 ZINC000027674758 494880992 /nfs/dbraw/zinc/88/09/92/494880992.db2.gz MLLKQHKILPXSIM-ZWKOTPCHSA-N 1 0 374.506 3.339 50 0 FGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000095357687 494962681 /nfs/dbraw/zinc/96/26/81/494962681.db2.gz KEJABXYHAYHVLB-KRWDZBQOSA-N 1 0 361.534 3.057 50 0 FGAARO CCc1noc(CN(CC)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000095356779 494962774 /nfs/dbraw/zinc/96/27/74/494962774.db2.gz OJULHIYVUYNYPP-UHFFFAOYSA-N 1 0 356.470 3.280 50 0 FGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000095364171 494964370 /nfs/dbraw/zinc/96/43/70/494964370.db2.gz UJEQYMWMCBAFEP-SFHVURJKSA-N 1 0 368.525 3.129 50 0 FGAARO O=C(c1ccc(F)cc1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095364021 494964551 /nfs/dbraw/zinc/96/45/51/494964551.db2.gz LBVITFXKXPRDKU-PWRODBHTSA-N 1 0 366.436 3.234 50 0 FGAARO COc1ccc([C@@H]2CN(C(=O)C3CCCC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095361663 494964788 /nfs/dbraw/zinc/96/47/88/494964788.db2.gz CKYIJHJCLRDEBQ-PWRODBHTSA-N 1 0 354.494 3.274 50 0 FGAARO O=C(Cc1ccc(O)c(F)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095365725 494965884 /nfs/dbraw/zinc/96/58/84/494965884.db2.gz HLKGMFSYMBRZMN-RBUKOAKNSA-N 1 0 368.452 3.197 50 0 FGAARO COCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095372985 494967383 /nfs/dbraw/zinc/96/73/83/494967383.db2.gz MTPGSOQPELEVKH-IBGZPJMESA-N 1 0 356.510 3.284 50 0 FGAARO COc1ccc([C@H](C(=O)[O-])[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)c(C)c1 ZINC000095371792 494967898 /nfs/dbraw/zinc/96/78/98/494967898.db2.gz ISJMRKAQHCNUOE-HXUWFJFHSA-N 1 0 369.465 3.045 50 0 FGAARO Cc1nccn1Cc1nnc([C@H]2CCC[N@@H+](C3CCCCCC3)C2)n1C ZINC000095377362 494968864 /nfs/dbraw/zinc/96/88/64/494968864.db2.gz AJOFNNQZYBFAEN-KRWDZBQOSA-N 1 0 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CC[NH+]1CCC(N(C)S(=O)(=O)c2ccccc2-c2ccccc2)CC1 ZINC000032804297 204938019 /nfs/dbraw/zinc/93/80/19/204938019.db2.gz ABICWEXHOZCOFE-UHFFFAOYSA-N 1 0 358.507 3.458 50 0 FGAARO CCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COCc1ccccc1 ZINC000036097215 205003125 /nfs/dbraw/zinc/00/31/25/205003125.db2.gz RYEKNWJQAPTKGC-FQEVSTJZSA-N 1 0 373.493 3.494 50 0 FGAARO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000039968005 205047528 /nfs/dbraw/zinc/04/75/28/205047528.db2.gz MVDAUCBSEDLJPD-UHFFFAOYSA-N 1 0 359.706 3.267 50 0 FGAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000043859966 205106146 /nfs/dbraw/zinc/10/61/46/205106146.db2.gz KOUSYFATWKZYOT-MOPGFXCFSA-N 1 0 358.530 3.077 50 0 FGAARO Cc1noc2nc(-c3cccc(Cl)c3)cc(C(=O)N3CCC[C@H]3C[NH3+])c12 ZINC000299738770 205116008 /nfs/dbraw/zinc/11/60/08/205116008.db2.gz GFIWOUWMHNMYDF-AWEZNQCLSA-N 1 0 370.840 3.415 50 0 FGAARO O=C(NCCCCOc1ccc(F)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000045256293 205119626 /nfs/dbraw/zinc/11/96/26/205119626.db2.gz XCVHWAMKHSTXDZ-UHFFFAOYSA-N 1 0 363.477 3.255 50 0 FGAARO CC(=O)Nc1ccc(C[NH2+]C[C@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000048779354 205165474 /nfs/dbraw/zinc/16/54/74/205165474.db2.gz SBXWHMFONMKEGP-JOCHJYFZSA-N 1 0 367.493 3.117 50 0 FGAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc3c2OCCO3)s1 ZINC000055060886 205205088 /nfs/dbraw/zinc/20/50/88/205205088.db2.gz GUJIQPZIDGKQKJ-UHFFFAOYSA-N 1 0 360.479 3.032 50 0 FGAARO COCCN(Cc1cccs1)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055244822 205211293 /nfs/dbraw/zinc/21/12/93/205211293.db2.gz FIKDTSOJNNIHEP-MRXNPFEDSA-N 1 0 362.495 3.228 50 0 FGAARO C[C@H](C1CC1)[N@H+](CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1 ZINC000052917725 205189179 /nfs/dbraw/zinc/18/91/79/205189179.db2.gz IHFGJGDTFYPZEL-OAHLLOKOSA-N 1 0 351.450 3.025 50 0 FGAARO Cc1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cnn1-c1ccc(F)cc1 ZINC000053088041 205190393 /nfs/dbraw/zinc/19/03/93/205190393.db2.gz MDLXGMCGNNSZAQ-UHFFFAOYSA-N 1 0 370.472 3.410 50 0 FGAARO Cc1cc(=O)oc2cc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)ccc12 ZINC000057943039 205245222 /nfs/dbraw/zinc/24/52/22/205245222.db2.gz LJBKRSZTMZLMGO-MRXNPFEDSA-N 1 0 355.438 3.194 50 0 FGAARO C[NH+]1CCN(Cc2cccc(NC(=O)/C=C\c3cccc(F)c3)c2)CC1 ZINC000057053905 205233390 /nfs/dbraw/zinc/23/33/90/205233390.db2.gz KLDBXKGGWVGEBA-HJWRWDBZSA-N 1 0 353.441 3.225 50 0 FGAARO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C)on2)cc1Br ZINC000057347264 205237370 /nfs/dbraw/zinc/23/73/70/205237370.db2.gz BYVASTAWEJZFQH-SNVBAGLBSA-N 1 0 368.231 3.043 50 0 FGAARO Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000058223530 205263919 /nfs/dbraw/zinc/26/39/19/205263919.db2.gz UVYCNFHTTIVSKU-MRXNPFEDSA-N 1 0 355.482 3.438 50 0 FGAARO c1csc(C[N@H+]2CCCN(Cc3cnn(-c4ccccc4)n3)CC2)c1 ZINC000058251553 205267217 /nfs/dbraw/zinc/26/72/17/205267217.db2.gz MCLUMGWHVUUHJV-UHFFFAOYSA-N 1 0 353.495 3.037 50 0 FGAARO CCOc1ccc(C[N@H+](CC)Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000064590817 205301875 /nfs/dbraw/zinc/30/18/75/205301875.db2.gz JNUQCYWKIJIAAW-UHFFFAOYSA-N 1 0 351.450 3.424 50 0 FGAARO Cc1ccc2cc(CCC(=O)NCCC[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000065245611 205328008 /nfs/dbraw/zinc/32/80/08/205328008.db2.gz LMPRQFDFLGIUKX-KRWDZBQOSA-N 1 0 369.509 3.420 50 0 FGAARO O=C(c1ccc(-c2cccnc2)nc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065177863 205321641 /nfs/dbraw/zinc/32/16/41/205321641.db2.gz QPETVXIGMZXFTR-UHFFFAOYSA-N 1 0 350.466 3.234 50 0 FGAARO CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000065537482 205358545 /nfs/dbraw/zinc/35/85/45/205358545.db2.gz LBTNMTSARGNGOW-HNAYVOBHSA-N 1 0 365.468 3.172 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000065532518 205358754 /nfs/dbraw/zinc/35/87/54/205358754.db2.gz MLGYXQNMBZVPAX-QGZVFWFLSA-N 1 0 374.510 3.009 50 0 FGAARO Cc1cc(Cn2cnc3sc4c(c3c2=O)CC[NH2+]C4)c(C(F)(F)F)o1 ZINC000065534613 205359097 /nfs/dbraw/zinc/35/90/97/205359097.db2.gz KUWVCIILLPKILE-UHFFFAOYSA-N 1 0 369.368 3.072 50 0 FGAARO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1OC ZINC000065383706 205343429 /nfs/dbraw/zinc/34/34/29/205343429.db2.gz ZOETYYBONIKEKM-AWEZNQCLSA-N 1 0 366.889 3.192 50 0 FGAARO CC[C@@H](NC(=O)C1(Oc2ccc(C)cc2)CC[NH2+]CC1)c1ccncc1 ZINC000065396355 205344500 /nfs/dbraw/zinc/34/45/00/205344500.db2.gz QDQBZEVLFSXUKJ-LJQANCHMSA-N 1 0 353.466 3.159 50 0 FGAARO O=C1CC2(CN1)CC[NH+](Cc1c(-c3ccccc3)nc3ccccn31)CC2 ZINC000065407783 205348523 /nfs/dbraw/zinc/34/85/23/205348523.db2.gz POZCAKOHLCRXSW-UHFFFAOYSA-N 1 0 360.461 3.103 50 0 FGAARO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443305 205371345 /nfs/dbraw/zinc/37/13/45/205371345.db2.gz MZPCUBFLYGCJPZ-MRXNPFEDSA-N 1 0 363.465 3.244 50 0 FGAARO CCCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c(C)nn(C)c3Cl)C2)C1 ZINC000067513633 205375568 /nfs/dbraw/zinc/37/55/68/205375568.db2.gz HWNWHNCVAHUPGX-SFHVURJKSA-N 1 0 368.909 3.216 50 0 FGAARO C[C@H](C[NH3+])C(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067674221 205380465 /nfs/dbraw/zinc/38/04/65/205380465.db2.gz ZOTXLQQKDFBBJT-OAHLLOKOSA-N 1 0 360.461 3.223 50 0 FGAARO Cn1cc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000067675386 205382093 /nfs/dbraw/zinc/38/20/93/205382093.db2.gz ZUUXVOSSCLQJJJ-UHFFFAOYSA-N 1 0 367.541 3.472 50 0 FGAARO C[NH+]1CCC2(CC1)CCCN(C(=O)c1ccccc1-c1ncc[nH]1)CC2 ZINC000067688515 205384504 /nfs/dbraw/zinc/38/45/04/205384504.db2.gz VRVLKZZLKUBENE-UHFFFAOYSA-N 1 0 352.482 3.415 50 0 FGAARO Cc1nc(N2CCCO[C@@H](C[NH+]3CCCC3)C2)nc2cc3c(cc12)CCC3 ZINC000067789968 205392086 /nfs/dbraw/zinc/39/20/86/205392086.db2.gz BIYDFIUFOPMDLN-IBGZPJMESA-N 1 0 366.509 3.118 50 0 FGAARO CCC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cc3ccccc3o2)C1=O ZINC000067847163 205395559 /nfs/dbraw/zinc/39/55/59/205395559.db2.gz ZKLPWQNQTSJKGN-FQEVSTJZSA-N 1 0 355.438 3.023 50 0 FGAARO COC[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3C[NH+](C)C)nc2)C1 ZINC000067842317 205395690 /nfs/dbraw/zinc/39/56/90/205395690.db2.gz FHVUZKYTMYCJNR-QGZVFWFLSA-N 1 0 367.493 3.309 50 0 FGAARO CC(C)c1cc(C2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)[nH]n1 ZINC000067868675 205398701 /nfs/dbraw/zinc/39/87/01/205398701.db2.gz FJDWOLKPQPEMOW-UHFFFAOYSA-N 1 0 350.470 3.493 50 0 FGAARO CCc1cccc2c(C(C)=O)cn(CC(=O)N3CCC[C@H]([NH+](C)C)CC3)c21 ZINC000072166503 205493866 /nfs/dbraw/zinc/49/38/66/205493866.db2.gz SNHRWIAZLJDJHH-SFHVURJKSA-N 1 0 369.509 3.349 50 0 FGAARO COc1cccc([C@H]2CN(C(=O)c3ccoc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072153766 205487776 /nfs/dbraw/zinc/48/77/76/205487776.db2.gz QBMCQRZVFJIPMM-NJDAHSKKSA-N 1 0 366.461 3.299 50 0 FGAARO Cc1cc(C)c2nc(C)cc(C(=O)N3CCC[C@@](O)(C[NH+](C)C)CC3)c2c1 ZINC000077379056 205594844 /nfs/dbraw/zinc/59/48/44/205594844.db2.gz GZVSCSZKAGQUSM-QFIPXVFZSA-N 1 0 369.509 3.079 50 0 FGAARO COc1ccc([C@@H]2CN(C(=O)NC(C)(C)C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095375840 205742217 /nfs/dbraw/zinc/74/22/17/205742217.db2.gz MMDAPNFDXBWXGD-IPMKNSEASA-N 1 0 357.498 3.065 50 0 FGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095379114 205744020 /nfs/dbraw/zinc/74/40/20/205744020.db2.gz GEWBQNPIQLUNMR-MRXNPFEDSA-N 1 0 360.889 3.118 50 0 FGAARO CN(C)[C@H](C(=O)N(C)Cc1cccc(C[NH+](C)C)c1)c1cccc(F)c1 ZINC000095383469 205745206 /nfs/dbraw/zinc/74/52/06/205745206.db2.gz TWYAHOKFIHMJDS-FQEVSTJZSA-N 1 0 357.473 3.149 50 0 FGAARO C[NH2+]C1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)CC1 ZINC000237137539 206089109 /nfs/dbraw/zinc/08/91/09/206089109.db2.gz HTJNDYFQYINTIJ-UHFFFAOYSA-N 1 0 350.462 3.358 50 0 FGAARO CC[NH+](CC)CCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000050081138 206098226 /nfs/dbraw/zinc/09/82/26/206098226.db2.gz DZVFYEFPBMIMHX-FQEVSTJZSA-N 1 0 367.493 3.006 50 0 FGAARO C[C@@H]1CCCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)[C@H]1C[NH3+] ZINC000237412784 206101684 /nfs/dbraw/zinc/10/16/84/206101684.db2.gz VKGBSLKZTBISGK-DYVFJYSZSA-N 1 0 361.486 3.001 50 0 FGAARO CCc1ccc(N2C(=O)C[C@@H]([C@@H]3CCCC=C3[NH+]3CCOCC3)C2=O)cc1 ZINC000004393350 206177087 /nfs/dbraw/zinc/17/70/87/206177087.db2.gz CNQBYNIJJUWMOA-OALUTQOASA-N 1 0 368.477 3.145 50 0 FGAARO FC(F)(F)c1cccnc1NCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000152754481 206199960 /nfs/dbraw/zinc/19/99/60/206199960.db2.gz WYSRKAORQSZZIF-UHFFFAOYSA-N 1 0 362.359 3.087 50 0 FGAARO CCc1ccc(N2C(=O)C[C@H]([C@@H]3CCCC=C3[NH+]3CCOCC3)C2=O)cc1 ZINC000101128615 206226452 /nfs/dbraw/zinc/22/64/52/206226452.db2.gz CNQBYNIJJUWMOA-RBUKOAKNSA-N 1 0 368.477 3.145 50 0 FGAARO CCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000169620467 206254497 /nfs/dbraw/zinc/25/44/97/206254497.db2.gz RIHKIVILVWMRSX-SNRMKQJTSA-N 1 0 356.466 3.372 50 0 FGAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)c2cccc3[nH]ccc32)CC1 ZINC000169751663 206256780 /nfs/dbraw/zinc/25/67/80/206256780.db2.gz YBTNKTLQOLSKHW-UHFFFAOYSA-N 1 0 352.438 3.167 50 0 FGAARO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170677108 206280164 /nfs/dbraw/zinc/28/01/64/206280164.db2.gz RBDFSEIUFIIPBZ-CHWSQXEVSA-N 1 0 368.359 3.003 50 0 FGAARO Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(C)cc3s2)no1 ZINC000012229505 206289111 /nfs/dbraw/zinc/28/91/11/206289111.db2.gz AXUBSPYBLWPDBN-UHFFFAOYSA-N 1 0 358.467 3.500 50 0 FGAARO CC(C)[NH+]1CCC(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000012441425 206291581 /nfs/dbraw/zinc/29/15/81/206291581.db2.gz HARMMELBHYMBCN-UHFFFAOYSA-N 1 0 352.544 3.383 50 0 FGAARO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000019363904 206326478 /nfs/dbraw/zinc/32/64/78/206326478.db2.gz JNEBDUFKUCXJOW-NHCUHLMSSA-N 1 0 368.521 3.414 50 0 FGAARO Cn1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000216276581 206358246 /nfs/dbraw/zinc/35/82/46/206358246.db2.gz GXQFOZBMBUQKKR-SFHVURJKSA-N 1 0 365.477 3.324 50 0 FGAARO Cc1nn(C)c(C(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000215793688 206351858 /nfs/dbraw/zinc/35/18/58/206351858.db2.gz GJHPMEYVSYULMN-INIZCTEOSA-N 1 0 360.889 3.024 50 0 FGAARO C[N@H+](Cc1ccc([C@H]2CCCCO2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000216268776 206357229 /nfs/dbraw/zinc/35/72/29/206357229.db2.gz FMJTVEYGNFRMQB-QGZVFWFLSA-N 1 0 353.426 3.333 50 0 FGAARO COc1ccc(CC[N@H+](Cc2cn(C)nc2C)Cc2cccnc2)cc1 ZINC000218998259 206377409 /nfs/dbraw/zinc/37/74/09/206377409.db2.gz BSGRBHOMPGGSPR-UHFFFAOYSA-N 1 0 350.466 3.377 50 0 FGAARO Cc1cc(Cl)ccc1OC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022130500 206367855 /nfs/dbraw/zinc/36/78/55/206367855.db2.gz JMXMGKMFSPKNHQ-FQEVSTJZSA-N 1 0 374.912 3.206 50 0 FGAARO CCOC(=O)CC[N@@H+](CC(=O)Nc1ccc(C)c(Cl)c1)CC1CC1 ZINC000058143538 206390812 /nfs/dbraw/zinc/39/08/12/206390812.db2.gz IEFVCHYASRQFCN-UHFFFAOYSA-N 1 0 352.862 3.252 50 0 FGAARO C[C@H]1Cc2cc(C(=O)NCC3(c4ccccc4)CC[NH+](C)CC3)ccc2O1 ZINC000219960924 206396482 /nfs/dbraw/zinc/39/64/82/206396482.db2.gz CXPGJUJJTVYXTG-KRWDZBQOSA-N 1 0 364.489 3.403 50 0 FGAARO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)C[C@@H](C)O1 ZINC000229687564 206528126 /nfs/dbraw/zinc/52/81/26/206528126.db2.gz JKJHXEBCAGXTPQ-ZHALLVOQSA-N 1 0 369.509 3.201 50 0 FGAARO O[C@@H](CN1CCN(c2ccccc2)CC1)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000095347326 132206597 /nfs/dbraw/zinc/20/65/97/132206597.db2.gz DPKIVYBMKBAMHM-VQTJNVASSA-N 1 0 371.550 3.068 50 0 FGAARO CCc1cc(N2CCC([NH2+]CCc3nc(C)c(C)s3)CC2)nc(C)n1 ZINC000095528090 132214871 /nfs/dbraw/zinc/21/48/71/132214871.db2.gz BTFMOZJKOYUKFQ-UHFFFAOYSA-N 1 0 359.543 3.222 50 0 FGAARO Cc1ccc(N2CCN(CC(=O)N[C@H](C)c3ccccc3)C[C@H]2C)cc1 ZINC000102661866 132235724 /nfs/dbraw/zinc/23/57/24/132235724.db2.gz OIZZPJYGXWVXGF-RTBURBONSA-N 1 0 351.494 3.383 50 0 FGAARO OCC[C@H]1CN(c2ncccc2C(F)(F)F)CC[N@@H+]1Cc1cccs1 ZINC000106969447 132241042 /nfs/dbraw/zinc/24/10/42/132241042.db2.gz OJAFMRWSHTVWBX-ZDUSSCGKSA-N 1 0 371.428 3.235 50 0 FGAARO C[N@H+](CCc1ccccn1)Cc1cc2ccccc2nc1N1CCOCC1 ZINC000215836462 132270638 /nfs/dbraw/zinc/27/06/38/132270638.db2.gz CXZHEBLEANNMOX-UHFFFAOYSA-N 1 0 362.477 3.141 50 0 FGAARO Cc1c[nH+]ccc1N1CCN(C(=O)CCCOCc2ccccc2)CC1 ZINC000219772653 132274647 /nfs/dbraw/zinc/27/46/47/132274647.db2.gz NKCOYDNUYZJDGK-UHFFFAOYSA-N 1 0 353.466 3.036 50 0 FGAARO Cc1nn2c(nc3c(c2N2CC[NH+](C)CC2)CCCC3)c1-c1ccccc1 ZINC000002354909 132383372 /nfs/dbraw/zinc/38/33/72/132383372.db2.gz NANCECQCVZNYRK-UHFFFAOYSA-N 1 0 361.493 3.335 50 0 FGAARO Cc1ccc2nc(N3CCC[C@H](O)C3)c(C[NH+]3CCC(F)CC3)cc2c1 ZINC000072428885 136146539 /nfs/dbraw/zinc/14/65/39/136146539.db2.gz KMOZYEBJPVWHAV-IBGZPJMESA-N 1 0 357.473 3.438 50 0 FGAARO O=C(CCc1cnccn1)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000426486121 263601516 /nfs/dbraw/zinc/60/15/16/263601516.db2.gz WHXPFFRAUHXSLA-GOSISDBHSA-N 1 0 358.873 3.016 50 0 FGAARO [NH3+]CC[C@H]1CN(C(=O)c2cccc(-c3ccc(F)c(Cl)c3)c2)CCO1 ZINC000426547702 263630711 /nfs/dbraw/zinc/63/07/11/263630711.db2.gz WOMNWCRTYGVVJD-INIZCTEOSA-N 1 0 362.832 3.336 50 0 FGAARO O=C(NCCC[NH+]1CCCC1)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000426737398 263666300 /nfs/dbraw/zinc/66/63/00/263666300.db2.gz LWCBGZWQCYFBJM-QGZVFWFLSA-N 1 0 369.513 3.013 50 0 FGAARO C[NH+](C)CCNc1ncnc2c1cnn2Cc1ccc(Cl)cc1Cl ZINC000000820887 493774783 /nfs/dbraw/zinc/77/47/83/493774783.db2.gz FJQQAOPYCAOAMR-UHFFFAOYSA-N 1 0 365.268 3.155 50 0 FGAARO Nc1cc(N)[nH+]c(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1 ZINC000000906930 493778344 /nfs/dbraw/zinc/77/83/44/493778344.db2.gz QNYOKSWINLKDAC-UHFFFAOYSA-N 1 0 363.531 3.227 50 0 FGAARO C[NH+](C)[C@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000001243856 493791529 /nfs/dbraw/zinc/79/15/29/493791529.db2.gz SREGGMYCLLEVFK-PMACEKPBSA-N 1 0 352.459 3.476 50 0 FGAARO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2F)c1 ZINC000028660232 493796709 /nfs/dbraw/zinc/79/67/09/493796709.db2.gz BCEFZPLORKULIU-GOEBONIOSA-N 1 0 361.413 3.093 50 0 FGAARO O=C(CC[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000028896881 493806356 /nfs/dbraw/zinc/80/63/56/493806356.db2.gz LBGGBMFWYUMBEO-HNNXBMFYSA-N 1 0 356.451 3.083 50 0 FGAARO O[C@@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCN(c2ccccc2)CC1 ZINC000029630439 493848502 /nfs/dbraw/zinc/84/85/02/493848502.db2.gz NATKMSYAHQPMBP-FYYLOGMGSA-N 1 0 366.505 3.264 50 0 FGAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000031337872 493939320 /nfs/dbraw/zinc/93/93/20/493939320.db2.gz WBUFTRZHXLJYEX-UHFFFAOYSA-N 1 0 359.267 3.237 50 0 FGAARO Cc1cc2c(cc1C)CN(c1cccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)c1)C2 ZINC000082092239 493978920 /nfs/dbraw/zinc/97/89/20/493978920.db2.gz OYRAQKWIRNXZDT-PMACEKPBSA-N 1 0 367.468 3.253 50 0 FGAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c1 ZINC000082125728 493979646 /nfs/dbraw/zinc/97/96/46/493979646.db2.gz FRKGZNOUCGXWGR-QFIPXVFZSA-N 1 0 366.509 3.165 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(OC(F)F)c1)c1cccc(F)c1 ZINC000032721280 494007856 /nfs/dbraw/zinc/00/78/56/494007856.db2.gz YSXSULASHCNABH-INIZCTEOSA-N 1 0 352.356 3.460 50 0 FGAARO CCc1ccc([C@H](CNC(=O)c2ccc(C(=O)OC)s2)[NH+](C)C)cc1 ZINC000032734385 494010758 /nfs/dbraw/zinc/01/07/58/494010758.db2.gz PILMGQITBJRPSK-HNNXBMFYSA-N 1 0 360.479 3.130 50 0 FGAARO COc1ccc(/C=C/C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000032819960 494020139 /nfs/dbraw/zinc/02/01/39/494020139.db2.gz FPYQXTACNLDJFQ-XSFOEPMVSA-N 1 0 354.425 3.238 50 0 FGAARO CCCN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC(C)C)C1)C1=CCCCC1 ZINC000032928801 494028570 /nfs/dbraw/zinc/02/85/70/494028570.db2.gz JULHMWUTTJSLTD-GOSISDBHSA-N 1 0 363.546 3.167 50 0 FGAARO CN(C(=O)CCc1nc(C2=CC[N@H+](C)CC2)no1)c1cccc(Cl)c1 ZINC000033069139 494040902 /nfs/dbraw/zinc/04/09/02/494040902.db2.gz AZKKOUGJUQERKE-UHFFFAOYSA-N 1 0 360.845 3.038 50 0 FGAARO c1nc2c(nc3n2CCCCC3)c(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000033249794 494053649 /nfs/dbraw/zinc/05/36/49/494053649.db2.gz GDANNIAMUKJRMN-UHFFFAOYSA-N 1 0 354.502 3.007 50 0 FGAARO O=C1CC[C@]2(CCC[N@@H+](CCOc3ccc(F)cc3)C2)CN1CC1CC1 ZINC000077378134 494069961 /nfs/dbraw/zinc/06/99/61/494069961.db2.gz IEYJAVSCWPIDSQ-NRFANRHFSA-N 1 0 360.473 3.319 50 0 FGAARO O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077387332 494073214 /nfs/dbraw/zinc/07/32/14/494073214.db2.gz VEDMDXHZCWOABZ-QHCPKHFHSA-N 1 0 364.489 3.417 50 0 FGAARO COc1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc(OC)c1 ZINC000077438701 494083188 /nfs/dbraw/zinc/08/31/88/494083188.db2.gz ROJJREWRQXGJDR-OAQYLSRUSA-N 1 0 358.482 3.071 50 0 FGAARO CCc1[nH]c2ccc(CNC(=O)CC[C@@H](C)[NH+]3CCN(C)CC3)cc2c1C ZINC000071767610 494100150 /nfs/dbraw/zinc/10/01/50/494100150.db2.gz FZMPESQRNRXGRL-MRXNPFEDSA-N 1 0 370.541 3.071 50 0 FGAARO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccnc(N(C)C)c1 ZINC000072058217 494122067 /nfs/dbraw/zinc/12/20/67/494122067.db2.gz WZTXERHWOUIIED-UHFFFAOYSA-N 1 0 370.522 3.257 50 0 FGAARO Cn1nc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)nc1N1CCCCC1 ZINC000072127469 494129856 /nfs/dbraw/zinc/12/98/56/494129856.db2.gz SQOLPLSVNMOAFN-GOSISDBHSA-N 1 0 369.513 3.253 50 0 FGAARO Cc1cccc(C[NH+]2CCN(Cc3cnc(-c4ccccn4)nc3)CC2)c1 ZINC000072133877 494131286 /nfs/dbraw/zinc/13/12/86/494131286.db2.gz OPCQPJZODOLEHL-UHFFFAOYSA-N 1 0 359.477 3.165 50 0 FGAARO COc1ccc2n[nH]c(CN3CCC[N@H+](Cc4ccc(F)cc4)CC3)c2c1 ZINC000072143277 494133235 /nfs/dbraw/zinc/13/32/35/494133235.db2.gz QRSCEWFKIRZOHD-UHFFFAOYSA-N 1 0 368.456 3.419 50 0 FGAARO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)CCc3ccccc3)C2)cc1 ZINC000072165172 494141003 /nfs/dbraw/zinc/14/10/03/494141003.db2.gz WIQADTUMIUKOOD-HXUWFJFHSA-N 1 0 350.462 3.199 50 0 FGAARO COCCc1ncc(C[N@@H+]2CCCC[C@H]2CCc2cccc(O)c2)cn1 ZINC000072167410 494141429 /nfs/dbraw/zinc/14/14/29/494141429.db2.gz BRDMMGBJZIAQMG-IBGZPJMESA-N 1 0 355.482 3.358 50 0 FGAARO Cc1ncc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1C ZINC000072168575 494141555 /nfs/dbraw/zinc/14/15/55/494141555.db2.gz RFSBVHGAAFBBFO-UHFFFAOYSA-N 1 0 353.388 3.231 50 0 FGAARO CCc1cnc(C)nc1N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000072170104 494142928 /nfs/dbraw/zinc/14/29/28/494142928.db2.gz UUYHLOZQKGWYMR-OAQYLSRUSA-N 1 0 365.525 3.481 50 0 FGAARO CCO[C@H]1[C@H](NC(=O)Cc2ccccc2)c2ccccc2C12CC[NH2+]CC2 ZINC000072171255 494143216 /nfs/dbraw/zinc/14/32/16/494143216.db2.gz YUUAHFJIAFUHNR-YADHBBJMSA-N 1 0 364.489 3.127 50 0 FGAARO C[C@@H](C(=O)NCc1cccnc1N1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000072289383 494148076 /nfs/dbraw/zinc/14/80/76/494148076.db2.gz BEQYPWJCQMLQPK-SFHVURJKSA-N 1 0 366.509 3.209 50 0 FGAARO COc1cc(C(=O)Nc2ccc(CC[NH+]3CCC(O)CC3)cc2)ccc1C ZINC000072304693 494149886 /nfs/dbraw/zinc/14/98/86/494149886.db2.gz BCYGIZDBTUIVTA-UHFFFAOYSA-N 1 0 368.477 3.255 50 0 FGAARO CCc1c(C)scc1C(=O)N1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000072410962 494166996 /nfs/dbraw/zinc/16/69/96/494166996.db2.gz GBCAUTZWEQRVKR-CQSZACIVSA-N 1 0 350.528 3.192 50 0 FGAARO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000072418959 494168317 /nfs/dbraw/zinc/16/83/17/494168317.db2.gz IUUCAPFNULXHDN-KRWDZBQOSA-N 1 0 373.932 3.444 50 0 FGAARO CC(C)(O)CCc1ccc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000072431727 494173538 /nfs/dbraw/zinc/17/35/38/494173538.db2.gz LDYXNWCXUCDPDN-UHFFFAOYSA-N 1 0 368.521 3.414 50 0 FGAARO C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072432090 494174132 /nfs/dbraw/zinc/17/41/32/494174132.db2.gz CHVUSWCOTLADFB-NRFANRHFSA-N 1 0 366.505 3.177 50 0 FGAARO CCCN1C(=O)CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CC[C@H]21 ZINC000072439975 494175547 /nfs/dbraw/zinc/17/55/47/494175547.db2.gz ZKWAECNAVFGDCS-PKOBYXMFSA-N 1 0 352.482 3.300 50 0 FGAARO CCc1cc(N[C@H]2CCC[N@H+](Cc3cccnc3)C2)n2nc(C)c(C)c2n1 ZINC000072474072 494179954 /nfs/dbraw/zinc/17/99/54/494179954.db2.gz MEHFWJGHZAMNOR-IBGZPJMESA-N 1 0 364.497 3.380 50 0 FGAARO Cc1nc2c(c(NCc3csc(-c4ccccc4)n3)n1)CC[NH2+]CC2 ZINC000072478745 494181686 /nfs/dbraw/zinc/18/16/86/494181686.db2.gz GCMYVTGOZKTOIK-UHFFFAOYSA-N 1 0 351.479 3.209 50 0 FGAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(c1cc(-c3ccc(F)cc3)nc3ccnn31)C2 ZINC000072479628 494182620 /nfs/dbraw/zinc/18/26/20/494182620.db2.gz BRZLGAJXXVLOLR-DLBZAZTESA-N 1 0 351.429 3.208 50 0 FGAARO CN(c1ccc(-c2nc(CCc3ccccc3)no2)cn1)[C@@H]1CC[N@H+](C)C1 ZINC000011718598 494189190 /nfs/dbraw/zinc/18/91/90/494189190.db2.gz WRMNTQUOWXPZAY-GOSISDBHSA-N 1 0 363.465 3.057 50 0 FGAARO CCCCc1c(-c2ccccc2)ncn1CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000065370665 494190800 /nfs/dbraw/zinc/19/08/00/494190800.db2.gz OPIWWCBLRGRSBH-IBGZPJMESA-N 1 0 368.525 3.480 50 0 FGAARO OC1CC[NH+](Cc2ccc3c(c2)CN(Cc2cccc(F)c2)CCO3)CC1 ZINC000011813475 494191232 /nfs/dbraw/zinc/19/12/32/494191232.db2.gz PJUAAGMOAVFECJ-UHFFFAOYSA-N 1 0 370.468 3.177 50 0 FGAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000011817592 494192155 /nfs/dbraw/zinc/19/21/55/494192155.db2.gz RUNUMRVGRCYAMA-OAQYLSRUSA-N 1 0 351.450 3.430 50 0 FGAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)cc1C ZINC000011816374 494192191 /nfs/dbraw/zinc/19/21/91/494192191.db2.gz WAVGKTKBQNHYON-GOSISDBHSA-N 1 0 372.509 3.218 50 0 FGAARO CCn1ccnc1C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000011819479 494192497 /nfs/dbraw/zinc/19/24/97/494192497.db2.gz YBZTVEKDJHPRRF-OAQYLSRUSA-N 1 0 358.530 3.298 50 0 FGAARO COc1ccc(C(=O)NCCSC)cc1OC1CC[NH+](C(C)C)CC1 ZINC000011839215 494193175 /nfs/dbraw/zinc/19/31/75/494193175.db2.gz AERFFGJNMSBLGD-UHFFFAOYSA-N 1 0 366.527 3.040 50 0 FGAARO CC[C@H](C)CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000011880880 494195038 /nfs/dbraw/zinc/19/50/38/494195038.db2.gz ZQTMKCANONBAKI-HKUYNNGSSA-N 1 0 359.514 3.148 50 0 FGAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)no2)cc1 ZINC000011905200 494195886 /nfs/dbraw/zinc/19/58/86/494195886.db2.gz MFMRJLQHEQYYDA-IBGZPJMESA-N 1 0 365.433 3.383 50 0 FGAARO O=C(NCc1ccco1)[C@@H]1CC12CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC000012132266 494206848 /nfs/dbraw/zinc/20/68/48/494206848.db2.gz XMTFNECYZQTAHO-IBGZPJMESA-N 1 0 366.461 3.133 50 0 FGAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000065550632 494212970 /nfs/dbraw/zinc/21/29/70/494212970.db2.gz UMGHEPOAVQTVIG-RTBURBONSA-N 1 0 372.557 3.323 50 0 FGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cscn2)C1 ZINC000012203677 494213845 /nfs/dbraw/zinc/21/38/45/494213845.db2.gz KINYFTZIJRSFKI-MRXNPFEDSA-N 1 0 373.522 3.178 50 0 FGAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cscn2)C1 ZINC000012203672 494213939 /nfs/dbraw/zinc/21/39/39/494213939.db2.gz KINYFTZIJRSFKI-INIZCTEOSA-N 1 0 373.522 3.178 50 0 FGAARO CC(C)CC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012299172 494220232 /nfs/dbraw/zinc/22/02/32/494220232.db2.gz TUMKYRYZLBEGGJ-NRFANRHFSA-N 1 0 360.473 3.255 50 0 FGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1ccco1 ZINC000012297469 494220588 /nfs/dbraw/zinc/22/05/88/494220588.db2.gz JEKUQVOMAWVBOL-UHFFFAOYSA-N 1 0 374.456 3.420 50 0 FGAARO CC(=O)Nc1ccc2c(c1)nc1n2CCN(C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000012323657 494224017 /nfs/dbraw/zinc/22/40/17/494224017.db2.gz SBNQQUAVEMHNGO-UHFFFAOYSA-N 1 0 369.513 3.120 50 0 FGAARO O[C@H](COC1CCCC1)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012419967 494231219 /nfs/dbraw/zinc/23/12/19/494231219.db2.gz RKVUCWZUKZSHIU-KRWDZBQOSA-N 1 0 372.431 3.148 50 0 FGAARO CCn1cc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cn1 ZINC000012439659 494233392 /nfs/dbraw/zinc/23/33/92/494233392.db2.gz QDYMTTIXUFCCET-UHFFFAOYSA-N 1 0 370.501 3.065 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(OC)c3)cc2C)CC1 ZINC000012534474 494238970 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O=C(NCc1ccccc1)C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000012778507 494258800 /nfs/dbraw/zinc/25/88/00/494258800.db2.gz ZLCSOWAMBGVOHL-HXUWFJFHSA-N 1 0 372.896 3.402 50 0 FGAARO Cc1nc(-c2ccccc2)sc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000013011183 494276473 /nfs/dbraw/zinc/27/64/73/494276473.db2.gz ORTMUHFHUZLWPV-GJZGRUSLSA-N 1 0 373.522 3.348 50 0 FGAARO CCc1ccc([C@@H](CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)[NH+](C)C)cc1 ZINC000014197130 494310256 /nfs/dbraw/zinc/31/02/56/494310256.db2.gz IVPSBUFPKMOYRM-GOSISDBHSA-N 1 0 355.482 3.429 50 0 FGAARO CCOC(=O)c1c2c(sc1NC(=O)CC1CC[NH+](C)CC1)CCCC2 ZINC000078578462 494322676 /nfs/dbraw/zinc/32/26/76/494322676.db2.gz AKBJDLSCKLFALG-UHFFFAOYSA-N 1 0 364.511 3.474 50 0 FGAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccc(OC)c1)C(=O)N2CC ZINC000014751555 494324587 /nfs/dbraw/zinc/32/45/87/494324587.db2.gz BGHVVRHMRWMICO-MRXNPFEDSA-N 1 0 373.497 3.112 50 0 FGAARO CCN1C[C@@H](C[N@H+](C)Cc2nc(-c3ccc(F)cc3F)oc2C)CC1=O ZINC000014962968 494331574 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FGAARO O=C(Cc1ccccc1Cl)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccn2)C1 ZINC000091876790 494711100 /nfs/dbraw/zinc/71/11/00/494711100.db2.gz PXDYSIFZUNSYPS-VQIMIIECSA-N 1 0 369.896 3.401 50 0 FGAARO Cc1cc(NC(=O)CC[N@@H+](C)Cc2ccccc2OC(F)(F)F)no1 ZINC000025254719 494714822 /nfs/dbraw/zinc/71/48/22/494714822.db2.gz YJRBQBIVBWKSTR-UHFFFAOYSA-N 1 0 357.332 3.342 50 0 FGAARO c1ccc(-c2nc3c(c(NCc4ccc5c(c4)OCO5)n2)CC[NH2+]C3)cc1 ZINC000067973742 494716853 /nfs/dbraw/zinc/71/68/53/494716853.db2.gz WTXHDFZZAXFKJT-UHFFFAOYSA-N 1 0 360.417 3.130 50 0 FGAARO C[N@H+](Cc1nc2cc(F)ccc2[nH]1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067982309 494718031 /nfs/dbraw/zinc/71/80/31/494718031.db2.gz CPHLAAGTLRLWIY-UHFFFAOYSA-N 1 0 366.440 3.439 50 0 FGAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1ccc3ncccc3c1)CC2 ZINC000091908480 494719629 /nfs/dbraw/zinc/71/96/29/494719629.db2.gz WXLUXJHTFPLZPV-UHFFFAOYSA-N 1 0 367.493 3.086 50 0 FGAARO O=C1N(C2CCOCC2)CCC[C@]12CC[N@H+](CCSc1ccccc1)C2 ZINC000091966419 494739369 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FGAARO CCc1ccc([C@H](CNC(=O)c2cccc(NC(C)=O)c2)[NH+](C)C)cc1 ZINC000027596657 494876982 /nfs/dbraw/zinc/87/69/82/494876982.db2.gz ITXQKEQLXHOWHY-FQEVSTJZSA-N 1 0 353.466 3.240 50 0 FGAARO Cc1cc(C)n(CCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)n1 ZINC000095354584 494961251 /nfs/dbraw/zinc/96/12/51/494961251.db2.gz QDCUNIRMLKUDCC-NHCUHLMSSA-N 1 0 366.509 3.013 50 0 FGAARO CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCCNc1cc[nH+]cc1C ZINC000095358357 494962214 /nfs/dbraw/zinc/96/22/14/494962214.db2.gz WBGJLJFVCJUPAT-SFHVURJKSA-N 1 0 365.481 3.482 50 0 FGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000095357686 494962592 /nfs/dbraw/zinc/96/25/92/494962592.db2.gz KEJABXYHAYHVLB-QGZVFWFLSA-N 1 0 361.534 3.057 50 0 FGAARO Cc1nn(CCNC(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)c(C)c1Cl ZINC000095361975 494964180 /nfs/dbraw/zinc/96/41/80/494964180.db2.gz VUIJCWUDKRJTSY-QGZVFWFLSA-N 1 0 360.889 3.050 50 0 FGAARO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000095366058 494965791 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BCWKXDRYITZXCH-UHFFFAOYSA-N 1 0 373.570 3.461 50 0 FGAARO O=C(c1ccc2cccc(F)c2n1)N1CC[NH+](C2CCSCC2)CC1 ZINC000097553288 495038613 /nfs/dbraw/zinc/03/86/13/495038613.db2.gz HOVANQUBNZTABZ-UHFFFAOYSA-N 1 0 359.470 3.027 50 0 FGAARO Cc1cc(C2CC[NH+](CCN(C)C(=O)OC(C)(C)C)CC2)cc(N)c1N ZINC000097756579 495045051 /nfs/dbraw/zinc/04/50/51/495045051.db2.gz LFIMDZDBRKAJDP-UHFFFAOYSA-N 1 0 362.518 3.206 50 0 FGAARO Cc1[nH]nc(C2CC2)c1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000097776105 495045522 /nfs/dbraw/zinc/04/55/22/495045522.db2.gz RAHBORIVTMCSDR-KRWDZBQOSA-N 1 0 356.445 3.302 50 0 FGAARO Cc1ccc(N(C)CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000098087068 495053581 /nfs/dbraw/zinc/05/35/81/495053581.db2.gz LLQDIIVEHXKUHV-UHFFFAOYSA-N 1 0 365.521 3.460 50 0 FGAARO CC(C)Cc1cc(=O)[nH]c(-c2ccccc2C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)n1 ZINC000102337942 495130583 /nfs/dbraw/zinc/13/05/83/495130583.db2.gz BVFUDRFOCDYMJZ-BWTSREIZSA-N 1 0 367.493 3.123 50 0 FGAARO O=C(NC1CC[NH+](C2CC2)CC1)C1(c2ccccc2Cl)CCOCC1 ZINC000107210900 495523772 /nfs/dbraw/zinc/52/37/72/495523772.db2.gz AQQYICPHUSCFQT-UHFFFAOYSA-N 1 0 362.901 3.131 50 0 FGAARO O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174562107 496010989 /nfs/dbraw/zinc/01/09/89/496010989.db2.gz GWJPLHNLHGNHJH-INIZCTEOSA-N 1 0 372.900 3.474 50 0 FGAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccccc1OCC1CC1 ZINC000177312046 496015129 /nfs/dbraw/zinc/01/51/29/496015129.db2.gz QRPKNYRAXFERBR-UHFFFAOYSA-N 1 0 365.477 3.265 50 0 FGAARO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000172304632 496247487 /nfs/dbraw/zinc/24/74/87/496247487.db2.gz GSWUDHNAOZXSNM-IBGZPJMESA-N 1 0 367.497 3.095 50 0 FGAARO C[NH2+]C[C@H]1CCCN(C(=O)c2csc(-c3c(F)cccc3F)n2)C1 ZINC000178336543 496418300 /nfs/dbraw/zinc/41/83/00/496418300.db2.gz ZVKTVOONMNBNPD-LLVKDONJSA-N 1 0 351.422 3.160 50 0 FGAARO O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000185288655 496724921 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OCC1(C[NH+]2CCCC2)CCN(Cc2ccc(F)c(Cl)c2F)CC1 ZINC000223630861 497041212 /nfs/dbraw/zinc/04/12/12/497041212.db2.gz PZPDATJTTIWNSJ-UHFFFAOYSA-N 1 0 358.860 3.289 50 0 FGAARO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000229469353 497097692 /nfs/dbraw/zinc/09/76/92/497097692.db2.gz MNTYCOKCZJJDNG-QUCCMNQESA-N 1 0 368.477 3.085 50 0 FGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000237502711 497247982 /nfs/dbraw/zinc/24/79/82/497247982.db2.gz BDWGVJYFKORPNT-APWZRJJASA-N 1 0 360.461 3.491 50 0 FGAARO COc1cccc(CN(CC[NH+](C)C)C(=O)NCCc2ccccc2F)c1 ZINC000252498451 497307198 /nfs/dbraw/zinc/30/71/98/497307198.db2.gz RCJFNCRNFNXHTD-UHFFFAOYSA-N 1 0 373.472 3.150 50 0 FGAARO C[NH+]1CCC(CCNC(=O)Nc2ccc(Cl)cc2-n2cccn2)CC1 ZINC000252507277 497308707 /nfs/dbraw/zinc/30/87/07/497308707.db2.gz WFVIBHGJVJHNCQ-UHFFFAOYSA-N 1 0 361.877 3.379 50 0 FGAARO Cc1cc(NCC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)n2ncnc2n1 ZINC000252527594 497310229 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Cc1nccc(C2CC[NH+](CCC(=O)Nc3ccc4c(c3)CCC4)CC2)n1 ZINC000243932714 497361790 /nfs/dbraw/zinc/36/17/90/497361790.db2.gz BYIGQTIXJGYJGW-UHFFFAOYSA-N 1 0 364.493 3.482 50 0 FGAARO Nc1nc(NCc2cc(C(F)(F)F)ccc2F)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000243885766 497361816 /nfs/dbraw/zinc/36/18/16/497361816.db2.gz ACBXFFALRZQESP-DKTWLAJQSA-N 1 0 356.323 3.067 50 0 FGAARO CC(C)c1noc(C2CC[NH+](CCC(=O)NCc3cccs3)CC2)n1 ZINC000244724009 497369190 /nfs/dbraw/zinc/36/91/90/497369190.db2.gz MLYWWERWSFNRJT-UHFFFAOYSA-N 1 0 362.499 3.140 50 0 FGAARO CC(C)n1ccnc1[C@@H]1CCCN(Cc2nc(-c3cccnc3)no2)C1 ZINC000244794740 497369901 /nfs/dbraw/zinc/36/99/01/497369901.db2.gz QSQGERWRVNOEEQ-MRXNPFEDSA-N 1 0 352.442 3.289 50 0 FGAARO O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000244764133 497369964 /nfs/dbraw/zinc/36/99/64/497369964.db2.gz PBXDNHRKLZPQOW-FCEWJHQRSA-N 1 0 374.506 3.182 50 0 FGAARO Cc1cccc2nc(C[NH+]3CCC([C@@H](O)c4cccs4)CC3)cc(=O)n12 ZINC000244787851 497370424 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O=C(Nc1ccc2ncsc2c1)N1CC[NH+](C2CCSCC2)CC1 ZINC000299759062 497913652 /nfs/dbraw/zinc/91/36/52/497913652.db2.gz NEMPVWNJIQXMFE-UHFFFAOYSA-N 1 0 362.524 3.341 50 0 FGAARO COc1ccc(C(=O)NC2(c3cccc(Cl)c3)CC2)cc1OCCC[NH3+] ZINC000299762977 497916042 /nfs/dbraw/zinc/91/60/42/497916042.db2.gz FIHVOBOBYNDHLW-UHFFFAOYSA-N 1 0 374.868 3.495 50 0 FGAARO CC(C)C(=O)NCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299768824 497917540 /nfs/dbraw/zinc/91/75/40/497917540.db2.gz MTWYAUAKQJCHMA-BBWFWOEESA-N 1 0 354.454 3.035 50 0 FGAARO CCCn1nc(C)cc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299776673 497919866 /nfs/dbraw/zinc/91/98/66/497919866.db2.gz CJMOEMURRAWDAW-SFHVURJKSA-N 1 0 355.486 3.245 50 0 FGAARO COc1cccc(C[NH2+]Cc2cc3ccc(Cl)cc3n(C)c2=O)c1OC ZINC000299776570 497920545 /nfs/dbraw/zinc/92/05/45/497920545.db2.gz MLBCODKPLMKYGV-UHFFFAOYSA-N 1 0 372.852 3.499 50 0 FGAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1cc(-c2ccccc2)ccc1OC ZINC000299781337 497921963 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Cc1ccc(C(=O)N2CCC(n3ncc4c3C[NH2+]C4)CC2)c(F)c1Cl ZINC000333353789 498989957 /nfs/dbraw/zinc/98/99/57/498989957.db2.gz BQJAEZULRPDNRV-UHFFFAOYSA-N 1 0 362.836 3.065 50 0 FGAARO FC(F)(F)Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n1 ZINC000329032769 499021436 /nfs/dbraw/zinc/02/14/36/499021436.db2.gz BMHJDLHEZNLEKG-ILXRZTDVSA-N 1 0 367.371 3.179 50 0 FGAARO O=C(NC[C@]1(O)CC[NH2+]C1)c1cccc(-c2ccc(Cl)cc2Cl)c1 ZINC000426487955 500278790 /nfs/dbraw/zinc/27/87/90/500278790.db2.gz IDJUMRWJOQFCSB-SFHVURJKSA-N 1 0 365.260 3.115 50 0 FGAARO C[NH+](C)[C@H]1CCCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000426497073 500280162 /nfs/dbraw/zinc/28/01/62/500280162.db2.gz BYSBHJSDDZBXEM-INIZCTEOSA-N 1 0 357.420 3.374 50 0 FGAARO O=C(NCCCCC[NH+]1CCOCC1)c1cccc(-c2ccccc2O)c1 ZINC000426545420 500287658 /nfs/dbraw/zinc/28/76/58/500287658.db2.gz XMJGYSGUWGTHMS-UHFFFAOYSA-N 1 0 368.477 3.292 50 0 FGAARO Cc1nc([C@H](C)NC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)c(C)s1 ZINC000426642870 500299892 /nfs/dbraw/zinc/29/98/92/500299892.db2.gz IDRLYRIPZBPJEV-AWEZNQCLSA-N 1 0 373.526 3.446 50 0 FGAARO Cc1cc(N2CCCN(C(=O)NCC[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc[nH+]1 ZINC000426652875 500301446 /nfs/dbraw/zinc/30/14/46/500301446.db2.gz KDGLVGIVHCAZTN-CEXWTWQISA-N 1 0 354.498 3.214 50 0 FGAARO C[C@H](c1ccc(-c2ccc(C(=O)N3CCOCC3)cn2)cc1)[NH+]1CCCC1 ZINC000426690761 500306930 /nfs/dbraw/zinc/30/69/30/500306930.db2.gz VKTMVKYTKXVZMA-QGZVFWFLSA-N 1 0 365.477 3.378 50 0 FGAARO CC[N@H+](C)C(C)(C)CNC(=O)N(Cc1ccsc1)C[C@@H]1CCCO1 ZINC000534587245 504184012 /nfs/dbraw/zinc/18/40/12/504184012.db2.gz HRXARCNYVATETR-INIZCTEOSA-N 1 0 353.532 3.169 50 0 FGAARO Cc1ccc2c(c1)c(-c1ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)cc1)nn2C ZINC000534641502 504200466 /nfs/dbraw/zinc/20/04/66/504200466.db2.gz JDIGYPJSOFLMGA-SFHVURJKSA-N 1 0 362.477 3.325 50 0 FGAARO COc1ccccc1C1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000534648743 504202638 /nfs/dbraw/zinc/20/26/38/504202638.db2.gz PVBUMUOXNGAHPN-UHFFFAOYSA-N 1 0 359.514 3.316 50 0 FGAARO O=C(NC[C@H]1CCC[N@@H+](C2CCCC2)C1)N1CC(Oc2ccccc2)C1 ZINC000584888535 507556747 /nfs/dbraw/zinc/55/67/47/507556747.db2.gz SHJROWVQLNPEQA-QGZVFWFLSA-N 1 0 357.498 3.114 50 0 FGAARO Cc1cc(-c2cccc(C(=O)N(C)C3CC[NH+](C)CC3)c2)cn2ccnc12 ZINC000584893164 507560237 /nfs/dbraw/zinc/56/02/37/507560237.db2.gz VIJZSFKITZXOAO-UHFFFAOYSA-N 1 0 362.477 3.476 50 0 FGAARO CC(C)n1c2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2nc1C(F)(F)F ZINC000179047936 519925499 /nfs/dbraw/zinc/92/54/99/519925499.db2.gz WORVQYNRRBPAJK-GFCCVEGCSA-N 1 0 354.376 3.070 50 0 FGAARO O=C(NCCc1ccc(O)cc1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299800509 534459618 /nfs/dbraw/zinc/45/96/18/534459618.db2.gz WNLUNTVSDIJZDS-HBMCJLEFSA-N 1 0 350.462 3.277 50 0 FGAARO CCCOc1c(C[NH2+]CCCCCO)cc(Br)cc1OC ZINC000020934479 520293345 /nfs/dbraw/zinc/29/33/45/520293345.db2.gz QEAAJAKLGBSGDB-UHFFFAOYSA-N 1 0 360.292 3.499 50 0 FGAARO CCCn1cc(CN2CCC[C@H]([N@H+](CC)Cc3ccncc3)C2)c(C)n1 ZINC000020598249 521651706 /nfs/dbraw/zinc/65/17/06/521651706.db2.gz NBRHBFKUGOFMRJ-NRFANRHFSA-N 1 0 355.530 3.483 50 0 FGAARO COc1cc(C)c(C[N@@H+](Cc2ccncc2)C[C@@H]2CCC(=O)N2)c(C)c1C ZINC000216543606 522190667 /nfs/dbraw/zinc/19/06/67/522190667.db2.gz FBGSLWRPZZOHPS-IBGZPJMESA-N 1 0 367.493 3.296 50 0 FGAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000082166174 523188106 /nfs/dbraw/zinc/18/81/06/523188106.db2.gz CYBNMNCMFFUNOX-UHFFFAOYSA-N 1 0 371.504 3.413 50 0 FGAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000082091467 523188325 /nfs/dbraw/zinc/18/83/25/523188325.db2.gz KLKIRBJSXWPXLM-UHFFFAOYSA-N 1 0 371.504 3.413 50 0 FGAARO COCCN(C(=O)c1ccc(-c2ccc(OC)cc2)o1)C1CC[NH+](C)CC1 ZINC000216354423 523552981 /nfs/dbraw/zinc/55/29/81/523552981.db2.gz PIFGCTSJLJGQNJ-UHFFFAOYSA-N 1 0 372.465 3.138 50 0 FGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3cccnc3)C2)cc1OC ZINC000020119696 523940117 /nfs/dbraw/zinc/94/01/17/523940117.db2.gz ASGJXPGUZXIJKK-FQEVSTJZSA-N 1 0 369.509 3.238 50 0 FGAARO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCSc3ccc(F)cc32)C1 ZINC000249511841 524225445 /nfs/dbraw/zinc/22/54/45/524225445.db2.gz SHGQBUXKZFRDJE-CJNGLKHVSA-N 1 0 351.491 3.394 50 0 FGAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(-c2cc[nH]n2)cc1 ZINC000091391398 524361480 /nfs/dbraw/zinc/36/14/80/524361480.db2.gz DODDHEUHGLNANP-MRXNPFEDSA-N 1 0 360.461 3.253 50 0 FGAARO Cc1ccc(CN2CC[N@H+](Cc3cccc4cnccc43)C[C@@H]2CCO)o1 ZINC000020450425 524458983 /nfs/dbraw/zinc/45/89/83/524458983.db2.gz NSOQJDZPBIMCFM-FQEVSTJZSA-N 1 0 365.477 3.205 50 0 FGAARO COc1ccc(NC(=O)NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)cc1 ZINC000082120161 524568755 /nfs/dbraw/zinc/56/87/55/524568755.db2.gz LWHKTGRZLGWBOK-UHFFFAOYSA-N 1 0 371.485 3.075 50 0 FGAARO Cc1cccc(Oc2ccc(C(=O)N3C[C@H](CO)[C@H](C[NH+](C)C)C3)cc2)c1 ZINC000091694569 524785752 /nfs/dbraw/zinc/78/57/52/524785752.db2.gz AJJDLMVBZQJNGC-RTBURBONSA-N 1 0 368.477 3.029 50 0 FGAARO C[C@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000089478804 525614215 /nfs/dbraw/zinc/61/42/15/525614215.db2.gz DTMCPMMIPNSTKJ-KSSFIOAISA-N 1 0 352.434 3.087 50 0 FGAARO COc1cccc(CC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000089340278 525863220 /nfs/dbraw/zinc/86/32/20/525863220.db2.gz BBGQDCOTXDGCFZ-UHFFFAOYSA-N 1 0 353.466 3.008 50 0 FGAARO COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000036100262 525924598 /nfs/dbraw/zinc/92/45/98/525924598.db2.gz INCWKRJJQQHGMQ-UGKGYDQZSA-N 1 0 371.477 3.116 50 0 FGAARO Fc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccccn4)C3)CC2)cc1 ZINC000020118897 526353106 /nfs/dbraw/zinc/35/31/06/526353106.db2.gz UCENPMQOVYQBFO-NRFANRHFSA-N 1 0 354.473 3.007 50 0 FGAARO O=C(CC[N@H+]1CCC[C@](CO)(CC2CC2)C1)NCc1cccc(Cl)c1 ZINC000091657358 526486033 /nfs/dbraw/zinc/48/60/33/526486033.db2.gz LUFBKJVVZBAPOU-FQEVSTJZSA-N 1 0 364.917 3.221 50 0 FGAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000239378370 526808884 /nfs/dbraw/zinc/80/88/84/526808884.db2.gz OPIJXTKETWLPDC-CABCVRRESA-N 1 0 373.888 3.371 50 0 FGAARO O=C1[C@H]([NH2+]Cc2cccc3cccnc32)CCN1c1c(F)cccc1F ZINC000088766415 527113797 /nfs/dbraw/zinc/11/37/97/527113797.db2.gz GLBCMBBGDBZNMV-QGZVFWFLSA-N 1 0 353.372 3.408 50 0 FGAARO [NH3+][C@H]1CN(C(=O)c2ccccc2OCCc2ccccc2)C[C@@H]1C1CC1 ZINC000091635507 527417097 /nfs/dbraw/zinc/41/70/97/527417097.db2.gz KXESCROPHWBYPB-UXHICEINSA-N 1 0 350.462 3.117 50 0 FGAARO OCC[C@H]1CN(Cc2ccc(F)cc2F)CC[N@@H+]1CC1CCCCC1 ZINC000020778666 527573464 /nfs/dbraw/zinc/57/34/64/527573464.db2.gz YDNWPMSCZONZAS-IBGZPJMESA-N 1 0 352.469 3.414 50 0 FGAARO CC(C)Oc1ncccc1C(=O)N1c2ccccc2CC[C@H]1C[NH+](C)C ZINC000328596550 535079411 /nfs/dbraw/zinc/07/94/11/535079411.db2.gz BQYQZUCYFTZIAT-KRWDZBQOSA-N 1 0 353.466 3.392 50 0 FGAARO CCNC(=O)c1ccc(C[NH+]2CCN(c3ccc(C)c(C)c3)CC2)cc1 ZINC000034668105 535418829 /nfs/dbraw/zinc/41/88/29/535418829.db2.gz GTWWXXJHJFELQL-UHFFFAOYSA-N 1 0 351.494 3.375 50 0 FGAARO CCO[C@H]1C[C@@H](O)C12CC[NH+](C1CCN(c3ccccc3C)CC1)CC2 ZINC000091444497 535648791 /nfs/dbraw/zinc/64/87/91/535648791.db2.gz BXAMBFVKCYHKAI-RTWAWAEBSA-N 1 0 358.526 3.216 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)CC1 ZINC000000803534 536422953 /nfs/dbraw/zinc/42/29/53/536422953.db2.gz GQVYNCKNNMCXNX-UHFFFAOYSA-N 1 0 359.857 3.109 50 0 FGAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000006570723 536424326 /nfs/dbraw/zinc/42/43/26/536424326.db2.gz DKASFUIUQJICSH-UHFFFAOYSA-N 1 0 374.282 3.453 50 0 FGAARO O=C(Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000222622914 568546642 /nfs/dbraw/zinc/54/66/42/568546642.db2.gz KLLRNHCZXRXTFT-KRWDZBQOSA-N 1 0 370.415 3.008 50 0 FGAARO O=C(Nc1ccc(I)cc1)c1ccn2c[nH+]cc2c1 ZINC000084414550 571085294 /nfs/dbraw/zinc/08/52/94/571085294.db2.gz JGDFDCGRRPDLLT-UHFFFAOYSA-N 1 0 363.158 3.191 50 0 FGAARO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccc2ncsc2c1 ZINC000685939979 571099054 /nfs/dbraw/zinc/09/90/54/571099054.db2.gz PYHHDIJOKVWBJH-DOTOQJQBSA-N 1 0 355.438 3.311 50 0 FGAARO [NH3+]Cc1nnc(SCC[C@H]2CCOC2)n1-c1cccc(C(F)(F)F)c1 ZINC000426386938 571218039 /nfs/dbraw/zinc/21/80/39/571218039.db2.gz RKXHPEBVTNPWMZ-LLVKDONJSA-N 1 0 372.416 3.264 50 0 FGAARO C[N@@H+]1CCCC[C@H]1CNC(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000426434830 571224988 /nfs/dbraw/zinc/22/49/88/571224988.db2.gz JWNWZDXDCJIXGL-NRFANRHFSA-N 1 0 366.509 3.320 50 0 FGAARO CSc1ncc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)cn1 ZINC000019770508 695641164 /nfs/dbraw/zinc/64/11/64/695641164.db2.gz RYXWUAGHMUNFND-IBGZPJMESA-N 1 0 356.539 3.337 50 0 FGAARO O[C@H](c1cn(C2CC[NH+](Cc3ccsc3)CC2)nn1)c1ccccc1 ZINC000023429065 695661993 /nfs/dbraw/zinc/66/19/93/695661993.db2.gz PTBQVGCAPOXHPE-IBGZPJMESA-N 1 0 354.479 3.258 50 0 FGAARO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ncc(C3CCOCC3)s2)C1 ZINC000667182251 721047570 /nfs/dbraw/zinc/04/75/70/721047570.db2.gz YCJOTAFUEIZRBP-ZDUSSCGKSA-N 1 0 366.531 3.279 50 0 FGAARO CCCOc1ccc(NC(=O)CC[C@H](C)[NH+]2CCN(C)CC2)cc1Cl ZINC000952964614 762536289 /nfs/dbraw/zinc/53/62/89/762536289.db2.gz MUZYEECVGAJZOS-HNNXBMFYSA-N 1 0 367.921 3.483 50 0 FGAARO CCn1nc(C(C)C)cc1C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000215175111 222641753 /nfs/dbraw/zinc/64/17/53/222641753.db2.gz BNDNGHDICZBDQQ-UHFFFAOYSA-N 1 0 370.497 3.126 50 0 FGAARO O=C1C[C@H](N2CC=C(c3ccc(F)cc3)CC2)C(=O)N1c1cccc(F)c1 ZINC000001441421 204007488 /nfs/dbraw/zinc/00/74/88/204007488.db2.gz OTVDIWUEXUXLGC-IBGZPJMESA-N 1 0 368.383 3.386 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)o1)c1ccc(F)cc1 ZINC000010329621 204009491 /nfs/dbraw/zinc/00/94/91/204009491.db2.gz ZQZKFQMHNCMTRM-GFCCVEGCSA-N 1 0 355.207 3.214 50 0 FGAARO CCCCc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000002291414 204032272 /nfs/dbraw/zinc/03/22/72/204032272.db2.gz NHKOLDNMHPJENJ-UHFFFAOYSA-N 1 0 359.514 3.393 50 0 FGAARO COCCN(C(=S)Nc1ccccc1F)C1CC[NH+](C(C)C)CC1 ZINC000002933439 204068811 /nfs/dbraw/zinc/06/88/11/204068811.db2.gz SMLYHRVKFMBPQM-UHFFFAOYSA-N 1 0 353.507 3.344 50 0 FGAARO C[N@H+](CCCNC(=O)c1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000003055613 204077567 /nfs/dbraw/zinc/07/75/67/204077567.db2.gz VKBMCLPASZNZCD-UHFFFAOYSA-N 1 0 365.477 3.065 50 0 FGAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 ZINC000003221049 204082137 /nfs/dbraw/zinc/08/21/37/204082137.db2.gz YCHNFAQKIUUVPW-VAWYXSNFSA-N 1 0 371.506 3.472 50 0 FGAARO C[NH+](C)CC(C)(C)CNCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000003338876 204092945 /nfs/dbraw/zinc/09/29/45/204092945.db2.gz HFAYYZNUSUPCQJ-UHFFFAOYSA-N 1 0 365.827 3.475 50 0 FGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC000004746303 204161010 /nfs/dbraw/zinc/16/10/10/204161010.db2.gz QROKWTDNZKOYDG-OAQYLSRUSA-N 1 0 369.553 3.376 50 0 FGAARO CC[C@@H]1C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(OC)c(OC)c2)N1O ZINC000004873531 204172344 /nfs/dbraw/zinc/17/23/44/204172344.db2.gz UUUKDPTXVMFCLR-UZLBHIALSA-N 1 0 356.422 3.360 50 0 FGAARO Cc1ccc(C)c(Sc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2)c1 ZINC000006935524 204281937 /nfs/dbraw/zinc/28/19/37/204281937.db2.gz IHQVPDWZCGNBMU-UHFFFAOYSA-N 1 0 364.536 3.295 50 0 FGAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)Nc1cn(C)c(=O)c2ccccc12 ZINC000006932396 204282631 /nfs/dbraw/zinc/28/26/31/204282631.db2.gz GCCYKUDYNSUJQX-HOTGVXAUSA-N 1 0 370.497 3.313 50 0 FGAARO Cc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1Cc1ccco1 ZINC000007030641 204287499 /nfs/dbraw/zinc/28/74/99/204287499.db2.gz LCAKSKLPMQQCPH-GOSISDBHSA-N 1 0 360.421 3.192 50 0 FGAARO COc1ccc(CC[N@H+](C)[C@@H](C)C(=O)N(C)c2ccccc2)cc1OC ZINC000007390314 204296454 /nfs/dbraw/zinc/29/64/54/204296454.db2.gz INVMDWDZWAYEEH-INIZCTEOSA-N 1 0 356.466 3.230 50 0 FGAARO O=C(COc1ccccc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006731933 204263434 /nfs/dbraw/zinc/26/34/34/204263434.db2.gz LMOXACZYAWEARA-UHFFFAOYSA-N 1 0 354.494 3.178 50 0 FGAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(-c2nnco2)cc1 ZINC000008012667 204315386 /nfs/dbraw/zinc/31/53/86/204315386.db2.gz KXQJJRCWAVCBSM-UHFFFAOYSA-N 1 0 362.433 3.262 50 0 FGAARO Cc1ccc2c(cnn2C(=O)CCCC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000009251121 204358900 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353.445 3.313 50 0 FGAARO O=C1CC[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]2N1CCc1ccccn1 ZINC000072469389 494178781 /nfs/dbraw/zinc/17/87/81/494178781.db2.gz ISQMLJXPCITMSA-PKOBYXMFSA-N 1 0 355.507 3.199 50 0 FGAARO CCN(Cc1ncc[nH]1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011664072 494185261 /nfs/dbraw/zinc/18/52/61/494185261.db2.gz DEKXUXIFEDQNJB-IBGZPJMESA-N 1 0 356.514 3.195 50 0 FGAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)cc1C ZINC000011816375 494191982 /nfs/dbraw/zinc/19/19/82/494191982.db2.gz WAVGKTKBQNHYON-SFHVURJKSA-N 1 0 372.509 3.218 50 0 FGAARO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000011878678 494194720 /nfs/dbraw/zinc/19/47/20/494194720.db2.gz MFGZYPFUYHFMQP-SFHVURJKSA-N 1 0 365.429 3.445 50 0 FGAARO CC(C)[NH+]1CCC(CNC(=O)c2cc(Cc3ccc(F)cc3)no2)CC1 ZINC000011965016 494197908 /nfs/dbraw/zinc/19/79/08/494197908.db2.gz SFEWTXCKCLTUKV-UHFFFAOYSA-N 1 0 359.445 3.255 50 0 FGAARO COc1cccc(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1OC ZINC000012029511 494200042 /nfs/dbraw/zinc/20/00/42/494200042.db2.gz MCVULNGKDZEPMS-SFHVURJKSA-N 1 0 368.477 3.141 50 0 FGAARO COCCN1CC[N@H+](Cc2cccc(-c3ccccc3C)c2)CCC1=O ZINC000012034316 494200667 /nfs/dbraw/zinc/20/06/67/494200667.db2.gz GNVADAZSRHOHCD-UHFFFAOYSA-N 1 0 352.478 3.343 50 0 FGAARO OCCOc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)cc1 ZINC000012072742 494201656 /nfs/dbraw/zinc/20/16/56/494201656.db2.gz VMDYAHYZRWKKMX-KRWDZBQOSA-N 1 0 362.420 3.412 50 0 FGAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cnn(CC)c2)C1 ZINC000012203381 494213690 /nfs/dbraw/zinc/21/36/90/494213690.db2.gz GBGDZSFJSITAON-OAQYLSRUSA-N 1 0 355.482 3.291 50 0 FGAARO CCCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000012218681 494214531 /nfs/dbraw/zinc/21/45/31/494214531.db2.gz PLUREPKONZWXGL-CQSZACIVSA-N 1 0 352.862 3.340 50 0 FGAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)cc1 ZINC000012299574 494220422 /nfs/dbraw/zinc/22/04/22/494220422.db2.gz MVUBSRRBLTYOFF-LJQANCHMSA-N 1 0 361.449 3.393 50 0 FGAARO Cc1ncsc1C(=O)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012318893 494223188 /nfs/dbraw/zinc/22/31/88/494223188.db2.gz IPRIMYVMILUMEZ-SFHVURJKSA-N 1 0 370.522 3.221 50 0 FGAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]12CC[N@H+](Cc1cccnc1)C2 ZINC000012308696 494223533 /nfs/dbraw/zinc/22/35/33/494223533.db2.gz AGHLOGFATTTYNI-NRFANRHFSA-N 1 0 371.431 3.375 50 0 FGAARO c1cc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)cc2c1OCC2 ZINC000012307851 494223543 /nfs/dbraw/zinc/22/35/43/494223543.db2.gz QWVUFZBTIRWXGF-SFHVURJKSA-N 1 0 352.434 3.427 50 0 FGAARO CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000012318044 494223562 /nfs/dbraw/zinc/22/35/62/494223562.db2.gz BKTHKBFVBCAXGA-IBGZPJMESA-N 1 0 360.498 3.495 50 0 FGAARO COc1ccccc1O[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012380635 494228034 /nfs/dbraw/zinc/22/80/34/494228034.db2.gz FTWFUVHXIJLZLS-KRWDZBQOSA-N 1 0 368.477 3.243 50 0 FGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2ccccn2)CC1 ZINC000012459284 494234464 /nfs/dbraw/zinc/23/44/64/494234464.db2.gz RNEIXBZEIMMXOB-UHFFFAOYSA-N 1 0 367.493 3.117 50 0 FGAARO Cc1occc1C(=O)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012448509 494235016 /nfs/dbraw/zinc/23/50/16/494235016.db2.gz RUOHMCYKIUXNFK-IBGZPJMESA-N 1 0 353.466 3.357 50 0 FGAARO CC[NH+](CC)CC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000012570521 494243323 /nfs/dbraw/zinc/24/33/23/494243323.db2.gz YYMPJZBKUDGPIU-SFHVURJKSA-N 1 0 372.488 3.483 50 0 FGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)c1cscn1 ZINC000012582502 494243797 /nfs/dbraw/zinc/24/37/97/494243797.db2.gz QSATUFAHAXCIIC-MRXNPFEDSA-N 1 0 361.486 3.309 50 0 FGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)c1cscn1 ZINC000012582497 494244234 /nfs/dbraw/zinc/24/42/34/494244234.db2.gz QSATUFAHAXCIIC-INIZCTEOSA-N 1 0 361.486 3.309 50 0 FGAARO Cc1nc2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2nc1C ZINC000012594055 494245181 /nfs/dbraw/zinc/24/51/81/494245181.db2.gz RJVRAWQFPUYOHV-IBGZPJMESA-N 1 0 364.449 3.407 50 0 FGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccnc(N)c3)C2)cc1 ZINC000012718754 494251624 /nfs/dbraw/zinc/25/16/24/494251624.db2.gz NIBNCHTYXSWSIC-FQEVSTJZSA-N 1 0 366.509 3.257 50 0 FGAARO CCC[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000012701200 494252293 /nfs/dbraw/zinc/25/22/93/494252293.db2.gz DLKIOSKZLUWQIN-NRFANRHFSA-N 1 0 357.542 3.233 50 0 FGAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1C ZINC000012836324 494265144 /nfs/dbraw/zinc/26/51/44/494265144.db2.gz UWMJOLMIBWDKAP-HXUWFJFHSA-N 1 0 369.553 3.258 50 0 FGAARO CCNC(=O)NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000012869649 494266889 /nfs/dbraw/zinc/26/68/89/494266889.db2.gz WBLNBTWUVKNRAC-GOSISDBHSA-N 1 0 359.495 3.396 50 0 FGAARO COc1ccc2c(CC(=O)NCc3ccccc3C[NH+](C)C)coc2c1 ZINC000014165211 494308052 /nfs/dbraw/zinc/30/80/52/494308052.db2.gz YUQPVZYVOBRXBL-UHFFFAOYSA-N 1 0 352.434 3.362 50 0 FGAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C1Cc3ccccc3C1)C(=O)N2CC ZINC000014753896 494324369 /nfs/dbraw/zinc/32/43/69/494324369.db2.gz OGWFRXQAEKREQY-INIZCTEOSA-N 1 0 369.509 3.071 50 0 FGAARO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1I ZINC000078606759 494329045 /nfs/dbraw/zinc/32/90/45/494329045.db2.gz WZNCNGUTZRHNEL-GHMZBOCLSA-N 1 0 360.239 3.252 50 0 FGAARO COc1cccc(CN2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2=O)c1OC ZINC000014979704 494331966 /nfs/dbraw/zinc/33/19/66/494331966.db2.gz BSKNBJBTGUMHPU-JOCHJYFZSA-N 1 0 372.509 3.461 50 0 FGAARO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)CCCCc3ccccc3)C2)CC1 ZINC000014966842 494332033 /nfs/dbraw/zinc/33/20/33/494332033.db2.gz UDOGRLYOFMVQBJ-HXUWFJFHSA-N 1 0 357.542 3.074 50 0 FGAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C ZINC000015069823 494336675 /nfs/dbraw/zinc/33/66/75/494336675.db2.gz DJONVKNORLGLEN-KRWDZBQOSA-N 1 0 358.438 3.438 50 0 FGAARO O=C(NC1CCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000015073395 494337052 /nfs/dbraw/zinc/33/70/52/494337052.db2.gz QCUPZNBIXISEMG-FQEVSTJZSA-N 1 0 369.553 3.422 50 0 FGAARO COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000015300548 494347263 /nfs/dbraw/zinc/34/72/63/494347263.db2.gz GMAKEBIPXJAALW-NRFANRHFSA-N 1 0 368.477 3.200 50 0 FGAARO O[C@@H](COC1CCCCC1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000016578807 494393964 /nfs/dbraw/zinc/39/39/64/494393964.db2.gz CJNDXMOPGVAGFM-GOSISDBHSA-N 1 0 352.906 3.172 50 0 FGAARO Cc1ccc2oc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc(=O)c2c1 ZINC000016599581 494395515 /nfs/dbraw/zinc/39/55/15/494395515.db2.gz BTSQYZGOJCBGTB-QGZVFWFLSA-N 1 0 350.418 3.134 50 0 FGAARO NC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000016606610 494396977 /nfs/dbraw/zinc/39/69/77/494396977.db2.gz GCWDYMXHEJDBGF-UHFFFAOYSA-N 1 0 371.868 3.290 50 0 FGAARO CC(C)c1nc(C[NH2+]CCC(=O)NCc2ccccc2)c2ccccn21 ZINC000079073639 494400675 /nfs/dbraw/zinc/40/06/75/494400675.db2.gz PLCDTTUHEGGJJV-UHFFFAOYSA-N 1 0 350.466 3.254 50 0 FGAARO COc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)c(OC)c1OC ZINC000019210284 494438426 /nfs/dbraw/zinc/43/84/26/494438426.db2.gz DPOHWFPBVGREGQ-UHFFFAOYSA-N 1 0 370.493 3.339 50 0 FGAARO CCN1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)cc3OC)C2)CC1 ZINC000019219772 494438530 /nfs/dbraw/zinc/43/85/30/494438530.db2.gz DMZQLZAKKRSSJV-MRXNPFEDSA-N 1 0 360.498 3.083 50 0 FGAARO Cc1cc(NC(=O)CC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1Br ZINC000019841370 494461190 /nfs/dbraw/zinc/46/11/90/494461190.db2.gz IIHAYSGNFIHOLH-CHWSQXEVSA-N 1 0 355.276 3.195 50 0 FGAARO COc1ccc2[nH]cc([C@H](O)C[NH+]3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000019809136 494461230 /nfs/dbraw/zinc/46/12/30/494461230.db2.gz DAXJSMLPPAYFSO-OAQYLSRUSA-N 1 0 369.440 3.171 50 0 FGAARO COc1ccc([N+]2=C3SCCN3[C@H](C)[C@@]2(O)c2ccccc2)c(F)c1 ZINC000019911098 494462966 /nfs/dbraw/zinc/46/29/66/494462966.db2.gz ZTWSSOWLZWFFEK-BFUOFWGJSA-N 1 0 359.446 3.003 50 0 FGAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000020677976 494479500 /nfs/dbraw/zinc/47/95/00/494479500.db2.gz YFKDTVYYLGTOIK-UHFFFAOYSA-N 1 0 371.529 3.178 50 0 FGAARO CC[NH+](CC)CCNc1nc2c(cnn2C)c(Nc2ccc(C)cc2C)n1 ZINC000021928675 494511215 /nfs/dbraw/zinc/51/12/15/494511215.db2.gz RBQVWVZEOCVLGQ-UHFFFAOYSA-N 1 0 367.501 3.477 50 0 FGAARO NC(=O)c1ccc(CN2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000022799149 494535664 /nfs/dbraw/zinc/53/56/64/494535664.db2.gz KXJNQNHZQGFXCX-UHFFFAOYSA-N 1 0 365.502 3.318 50 0 FGAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccccc1OC[C@H]1CCCO1 ZINC000022872267 494540042 /nfs/dbraw/zinc/54/00/42/494540042.db2.gz NCEUMNBGPGAWMC-LJQANCHMSA-N 1 0 368.477 3.236 50 0 FGAARO CC(C)CC[N@@H+]1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@@H]1CCO ZINC000022918467 494542053 /nfs/dbraw/zinc/54/20/53/494542053.db2.gz CWODJWFFWAMQSD-FQEVSTJZSA-N 1 0 362.562 3.372 50 0 FGAARO O=C(COc1ccc(Cl)cc1)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127949 494550986 /nfs/dbraw/zinc/55/09/86/494550986.db2.gz CFVUCUFVXCKLGC-UHFFFAOYSA-N 1 0 350.890 3.490 50 0 FGAARO COc1cccc(CN2CC[N@H+](CCCc3ccccc3)C[C@@H]2CCO)c1 ZINC000023375297 494563177 /nfs/dbraw/zinc/56/31/77/494563177.db2.gz XOEMINDTHQURRW-QFIPXVFZSA-N 1 0 368.521 3.197 50 0 FGAARO Cc1cc(C)n(CC2(C[NH2+]Cc3cc(=O)c4cc(F)ccc4[nH]3)CC2)n1 ZINC000091289003 494578274 /nfs/dbraw/zinc/57/82/74/494578274.db2.gz JWMDRJPOCXYFSY-UHFFFAOYSA-N 1 0 354.429 3.051 50 0 FGAARO COc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c(F)c1F ZINC000091426256 494597797 /nfs/dbraw/zinc/59/77/97/494597797.db2.gz JCNLQDLNUBONSU-HUUCEWRRSA-N 1 0 364.436 3.310 50 0 FGAARO Cc1cnc(CN2C[C@@]3(CCC[N@H+](Cc4cccs4)C3)CCC2=O)cn1 ZINC000091440867 494599356 /nfs/dbraw/zinc/59/93/56/494599356.db2.gz MLZBLYJWLADXQV-FQEVSTJZSA-N 1 0 370.522 3.251 50 0 FGAARO O=C1CCC2(CC[NH+](Cc3coc4ccccc4c3=O)CC2)CN1C1CC1 ZINC000091574556 494619152 /nfs/dbraw/zinc/61/91/52/494619152.db2.gz GWMQFRMBRMGYFY-UHFFFAOYSA-N 1 0 366.461 3.160 50 0 FGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2oc(C)nc2C)C3)cc1 ZINC000091644778 494636478 /nfs/dbraw/zinc/63/64/78/494636478.db2.gz OHFZDRNEKSJXGI-ZWKOTPCHSA-N 1 0 369.465 3.037 50 0 FGAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)[C@@H]1CC(=O)Nc2ccc(F)cc21 ZINC000091665643 494639549 /nfs/dbraw/zinc/63/95/49/494639549.db2.gz GXNZJSAEBLKPMI-QGZVFWFLSA-N 1 0 373.472 3.166 50 0 FGAARO Cc1cc(N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)nc(N)[nH+]1 ZINC000091680634 494645228 /nfs/dbraw/zinc/64/52/28/494645228.db2.gz YMERZHVLMJMQNE-CQSZACIVSA-N 1 0 356.380 3.321 50 0 FGAARO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2ccccc2-c2ccc(F)cc2)C1 ZINC000091745339 494665626 /nfs/dbraw/zinc/66/56/26/494665626.db2.gz PLWAFWAQXAAMNP-IAGOWNOFSA-N 1 0 370.468 3.125 50 0 FGAARO O=C(c1ccc2c(c1)OCO2)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091757776 494668799 /nfs/dbraw/zinc/66/87/99/494668799.db2.gz WXUMYBMMAJJWIT-PKOBYXMFSA-N 1 0 364.445 3.152 50 0 FGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC000091769528 494673755 /nfs/dbraw/zinc/67/37/55/494673755.db2.gz DEGSPVCGBGXQNN-HXUWFJFHSA-N 1 0 366.509 3.001 50 0 FGAARO Fc1cccc(Cl)c1Cn1ncnc1CSCC[NH+]1CCCC1 ZINC000091793999 494682273 /nfs/dbraw/zinc/68/22/73/494682273.db2.gz YHKTWDSDDRIMHR-UHFFFAOYSA-N 1 0 354.882 3.448 50 0 FGAARO C[C@H](Cc1ccsc1)Nc1nc(-c2cccnc2)nc2c1CC[NH2+]C2 ZINC000067975454 494716401 /nfs/dbraw/zinc/71/64/01/494716401.db2.gz MBVKHMZIJPJSMV-CYBMUJFWSA-N 1 0 351.479 3.289 50 0 FGAARO CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)c(OCC)c1C ZINC000091906394 494718152 /nfs/dbraw/zinc/71/81/52/494718152.db2.gz VXOGPFASUHKAHG-PKOBYXMFSA-N 1 0 360.498 3.235 50 0 FGAARO Cc1ccc2nc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](Cc3ccccc3)C4)cn2c1 ZINC000091943332 494729401 /nfs/dbraw/zinc/72/94/01/494729401.db2.gz QGKAPTVZCUSMQQ-VQTJNVASSA-N 1 0 374.488 3.379 50 0 FGAARO Cc1c([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cnn1-c1cccc(F)c1 ZINC000092037114 494763318 /nfs/dbraw/zinc/76/33/18/494763318.db2.gz MXBUWJJELVSKOP-HNNXBMFYSA-N 1 0 358.461 3.229 50 0 FGAARO C[C@H](NC(=O)N1CCC(c2nccn2CC[NH+](C)C)CC1)c1ccccc1 ZINC000092065120 494773946 /nfs/dbraw/zinc/77/39/46/494773946.db2.gz VFJZVTLZXIXBNH-KRWDZBQOSA-N 1 0 369.513 3.095 50 0 FGAARO Cc1ccc(C)c(N2N=C(C(=O)NCC[NH+](C(C)C)C(C)C)CCC2=O)c1 ZINC000027456920 494868805 /nfs/dbraw/zinc/86/88/05/494868805.db2.gz AVPSQDWBIIRERK-UHFFFAOYSA-N 1 0 372.513 3.021 50 0 FGAARO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1sccc1C(N)=O ZINC000027537432 494871890 /nfs/dbraw/zinc/87/18/90/494871890.db2.gz XAWGWVPSCFDVRM-UWVGGRQHSA-N 1 0 351.859 3.178 50 0 FGAARO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573538 494874228 /nfs/dbraw/zinc/87/42/28/494874228.db2.gz GVZUQRXCNVSYKM-QZTJIDSGSA-N 1 0 357.498 3.128 50 0 FGAARO CC[C@@H](O)C[N@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101094 494960868 /nfs/dbraw/zinc/96/08/68/494960868.db2.gz BFHDTCSIDGLKGF-OAQYLSRUSA-N 1 0 357.494 3.263 50 0 FGAARO COc1ccccc1C[N@H+](C[C@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000095353016 494961167 /nfs/dbraw/zinc/96/11/67/494961167.db2.gz XYYVIUWIUNNPFN-NHCUHLMSSA-N 1 0 355.478 3.280 50 0 FGAARO Cc1ccc(C(=O)CCC[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cc1 ZINC000095353877 494961840 /nfs/dbraw/zinc/96/18/40/494961840.db2.gz JXPLJOVEUVEHCF-VQTJNVASSA-N 1 0 354.494 3.291 50 0 FGAARO Cc1ncsc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095356580 494962587 /nfs/dbraw/zinc/96/25/87/494962587.db2.gz ZRXOERFXUJUHQS-RCCFBDPRSA-N 1 0 371.481 3.293 50 0 FGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3occc3c2)C1 ZINC000095364245 494964861 /nfs/dbraw/zinc/96/48/61/494964861.db2.gz ALFMUIFHMFAJBO-GOSISDBHSA-N 1 0 366.465 3.211 50 0 FGAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000095366510 494965198 /nfs/dbraw/zinc/96/51/98/494965198.db2.gz XVYWJVFMLCUELC-CQSZACIVSA-N 1 0 362.905 3.386 50 0 FGAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000095366218 494965420 /nfs/dbraw/zinc/96/54/20/494965420.db2.gz HOVCMTWVOBXURA-GOSISDBHSA-N 1 0 364.917 3.415 50 0 FGAARO CC(C)Cc1ccc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000095374895 494968731 /nfs/dbraw/zinc/96/87/31/494968731.db2.gz DQEYFCRNMFLJTD-QFIPXVFZSA-N 1 0 357.542 3.014 50 0 FGAARO COCc1nc(CC2CC[NH+](C)CC2)nn1-c1ccc2nc(C)sc2c1 ZINC000095386831 494972014 /nfs/dbraw/zinc/97/20/14/494972014.db2.gz SAIOPHOZAZJAAP-UHFFFAOYSA-N 1 0 371.510 3.216 50 0 FGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Oc3ccccc3)o1)C2 ZINC000095385297 494972345 /nfs/dbraw/zinc/97/23/45/494972345.db2.gz BYXNEAGZMJXVIF-IAGOWNOFSA-N 1 0 370.449 3.255 50 0 FGAARO O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)C1)NCCSc1ccccn1 ZINC000095388244 494973327 /nfs/dbraw/zinc/97/33/27/494973327.db2.gz IPSQRPGKZARQIR-GOSISDBHSA-N 1 0 355.507 3.170 50 0 FGAARO O=C(CSc1ccccc1O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095406435 494973705 /nfs/dbraw/zinc/97/37/05/494973705.db2.gz QGWAMYLLTQZGAS-UHFFFAOYSA-N 1 0 356.491 3.265 50 0 FGAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2ccccc2C(=O)OC)C1 ZINC000095442859 494974624 /nfs/dbraw/zinc/97/46/24/494974624.db2.gz MHTMFIPOJQUIOO-KRWDZBQOSA-N 1 0 374.525 3.423 50 0 FGAARO COc1cc(C[N@H+](C)Cc2ccccc2)ccc1OCC(=O)N1CCCC1 ZINC000095430305 494974933 /nfs/dbraw/zinc/97/49/33/494974933.db2.gz ODHWYDLIVCYRGT-UHFFFAOYSA-N 1 0 368.477 3.328 50 0 FGAARO CC(C)n1cnnc1CC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1(C)C ZINC000095459380 494977123 /nfs/dbraw/zinc/97/71/23/494977123.db2.gz GDPCZFFOUBNYKH-LJQANCHMSA-N 1 0 355.530 3.434 50 0 FGAARO CS[C@@H]1CN(C(=O)Nc2ccc(OC(C)C)cc2F)C[C@H]1[NH+](C)C ZINC000095467097 494977488 /nfs/dbraw/zinc/97/74/88/494977488.db2.gz CIQPCTZNBRFRLK-HZPDHXFCSA-N 1 0 355.479 3.122 50 0 FGAARO Cc1cc(C(=O)N2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)nc(C)n1 ZINC000095498363 494980053 /nfs/dbraw/zinc/98/00/53/494980053.db2.gz MPGCWSSCXAFLOJ-IBGZPJMESA-N 1 0 364.493 3.188 50 0 FGAARO Cc1ccc([C@@H]2CN(C(=O)Nc3ccc4c(c3)OCO4)C[C@H]2[NH+](C)C)cc1 ZINC000095496498 494980308 /nfs/dbraw/zinc/98/03/08/494980308.db2.gz KEKUHDBIGSXPNU-ZWKOTPCHSA-N 1 0 367.449 3.285 50 0 FGAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2cc[nH]c2)cc1 ZINC000095498575 494980398 /nfs/dbraw/zinc/98/03/98/494980398.db2.gz WVXSPNJMNYTNBY-UHFFFAOYSA-N 1 0 355.482 3.050 50 0 FGAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)CCc1ccncc1)CC2 ZINC000095504778 494982353 /nfs/dbraw/zinc/98/23/53/494982353.db2.gz WSKAQSNKAWDKQM-NRFANRHFSA-N 1 0 363.505 3.495 50 0 FGAARO CCc1ocnc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095526700 494986939 /nfs/dbraw/zinc/98/69/39/494986939.db2.gz LUDIIOKXZIZAEZ-PWIZWCRZSA-N 1 0 369.440 3.079 50 0 FGAARO O=C(c1ccccc1)N1CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095527207 494987189 /nfs/dbraw/zinc/98/71/89/494987189.db2.gz YKKFQONPMNYEAM-GOSISDBHSA-N 1 0 350.462 3.086 50 0 FGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccnnc1 ZINC000095526576 494987444 /nfs/dbraw/zinc/98/74/44/494987444.db2.gz IOEJHHHSONVICY-GOSISDBHSA-N 1 0 370.472 3.033 50 0 FGAARO Cc1nn(C)c2nc(N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)sc12 ZINC000095526381 494987467 /nfs/dbraw/zinc/98/74/67/494987467.db2.gz YIFRPAHVAFYIQP-MRXNPFEDSA-N 1 0 355.511 3.297 50 0 FGAARO CCc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)s1 ZINC000095525929 494987561 /nfs/dbraw/zinc/98/75/61/494987561.db2.gz AFCJHSJXJZEYRZ-MRXNPFEDSA-N 1 0 374.554 3.479 50 0 FGAARO O=C(C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2)c1ccco1 ZINC000095530235 494988332 /nfs/dbraw/zinc/98/83/32/494988332.db2.gz OBXVNKLJLMEAAC-RBUKOAKNSA-N 1 0 366.461 3.018 50 0 FGAARO Cc1ccc(Cl)c(NC(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000095529372 494988517 /nfs/dbraw/zinc/98/85/17/494988517.db2.gz ABJOVWRDXHHRKJ-OAHLLOKOSA-N 1 0 351.878 3.101 50 0 FGAARO C[C@@H](Cc1nnc(SCCCN2CC[NH+](C)CC2)o1)c1ccccc1 ZINC000096003421 494995854 /nfs/dbraw/zinc/99/58/54/494995854.db2.gz OGOFDFWDGIWKKR-INIZCTEOSA-N 1 0 360.527 3.145 50 0 FGAARO Fc1ccc(Cc2nnc(N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)s2)cc1 ZINC000096013725 494996790 /nfs/dbraw/zinc/99/67/90/494996790.db2.gz ONVUXDVOOJFLTN-USXIJHARSA-N 1 0 358.486 3.189 50 0 FGAARO COCCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000096141186 495004299 /nfs/dbraw/zinc/00/42/99/495004299.db2.gz FDMIYVFJWRBAMY-CYBMUJFWSA-N 1 0 359.392 3.185 50 0 FGAARO Cc1cccc(OCc2nc(-c3ccncc3)nn2C2CC[NH+](C)CC2)c1 ZINC000096151620 495004380 /nfs/dbraw/zinc/00/43/80/495004380.db2.gz RFMWEFQXHDULPD-UHFFFAOYSA-N 1 0 363.465 3.494 50 0 FGAARO CCc1oncc1-c1nc(CC2CC[NH+](C)CC2)nn1Cc1ccccc1 ZINC000096150639 495004924 /nfs/dbraw/zinc/00/49/24/495004924.db2.gz YVSBCRGZUSMWQP-UHFFFAOYSA-N 1 0 365.481 3.428 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1n[nH]c2c1CCCCC2 ZINC000096232808 495007732 /nfs/dbraw/zinc/00/77/32/495007732.db2.gz FHKFBXTVDKTJAV-UHFFFAOYSA-N 1 0 370.472 3.212 50 0 FGAARO Cc1ccc(SCCCN(C)C(=O)C[C@@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000097307263 495031980 /nfs/dbraw/zinc/03/19/80/495031980.db2.gz COFAUULJBVISFY-GOSISDBHSA-N 1 0 364.555 3.435 50 0 FGAARO FC(F)(F)Oc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000097370527 495033758 /nfs/dbraw/zinc/03/37/58/495033758.db2.gz HVRKDQWBDFMKDB-MRXNPFEDSA-N 1 0 358.404 3.272 50 0 FGAARO CO[C@H]1CCCOC12CCN(C(=O)c1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000097475058 495036742 /nfs/dbraw/zinc/03/67/42/495036742.db2.gz OPXZUIQCWQLYEH-FQEVSTJZSA-N 1 0 372.509 3.083 50 0 FGAARO [NH3+]CC[C@H]1CN(Cc2ccccc2OCc2ccc(Cl)cc2)CCO1 ZINC000097474911 495036920 /nfs/dbraw/zinc/03/69/20/495036920.db2.gz ZCPGYINRAGXAOS-IBGZPJMESA-N 1 0 360.885 3.469 50 0 FGAARO O=C(NCC1CC[NH+](C2CCCCC2)CC1)c1c[nH]c(=O)c2ccccc12 ZINC000097679720 495041535 /nfs/dbraw/zinc/04/15/35/495041535.db2.gz BIEPYDCOFKMXOT-UHFFFAOYSA-N 1 0 367.493 3.303 50 0 FGAARO O=C(NC[C@H]1CCC[N@@H+](CCO)C1)Nc1ccc(-c2ccccc2)cc1 ZINC000097681915 495041703 /nfs/dbraw/zinc/04/17/03/495041703.db2.gz KOHPQIMXFQITRC-QGZVFWFLSA-N 1 0 353.466 3.179 50 0 FGAARO Cn1cc(Cl)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000097766763 495045161 /nfs/dbraw/zinc/04/51/61/495045161.db2.gz AALDDGASTYHFQD-QGZVFWFLSA-N 1 0 360.889 3.421 50 0 FGAARO O=c1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)nc2ccc(Cl)cn12 ZINC000124261691 495259721 /nfs/dbraw/zinc/25/97/21/495259721.db2.gz USLGBCDPAMVCGU-MRXNPFEDSA-N 1 0 353.853 3.413 50 0 FGAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000114925043 495442807 /nfs/dbraw/zinc/44/28/07/495442807.db2.gz KODPFDVKOAJEEK-IBGZPJMESA-N 1 0 367.497 3.095 50 0 FGAARO CCOc1cccc(N2CC[NH+](CCCc3nc4ccccc4o3)CC2)n1 ZINC000106873761 495505192 /nfs/dbraw/zinc/50/51/92/495505192.db2.gz ZUDHVXCQAFCWLJ-UHFFFAOYSA-N 1 0 366.465 3.376 50 0 FGAARO Cc1c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cnn1-c1ccccc1F ZINC000107530080 495528735 /nfs/dbraw/zinc/52/87/35/495528735.db2.gz LTGZWEMCWYAUTG-KRWDZBQOSA-N 1 0 370.472 3.410 50 0 FGAARO Clc1ccccc1[C@@H](C[NH2+]Cc1cnn2ccccc12)N1CCOCC1 ZINC000171762150 496025813 /nfs/dbraw/zinc/02/58/13/496025813.db2.gz AGLABVORBXLRML-HXUWFJFHSA-N 1 0 370.884 3.151 50 0 FGAARO O=C(NC1CC[NH+](C2CCCC2)CC1)C1(c2ccc(F)cc2)CCOCC1 ZINC000177437048 496061391 /nfs/dbraw/zinc/06/13/91/496061391.db2.gz IOZZFKIGUYFUTK-UHFFFAOYSA-N 1 0 374.500 3.397 50 0 FGAARO O=C(C[NH+]1CCCCCC1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000222399681 497022613 /nfs/dbraw/zinc/02/26/13/497022613.db2.gz KWMWFQPJMXGNOW-FQVRHNBASA-N 1 0 367.493 3.039 50 0 FGAARO COc1cccc(OCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000222795670 497027323 /nfs/dbraw/zinc/02/73/23/497027323.db2.gz IMMRMAGBPOOWMZ-UHFFFAOYSA-N 1 0 370.449 3.186 50 0 FGAARO O=C(N1CCO[C@@H](c2cccnc2)C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000223605014 497040126 /nfs/dbraw/zinc/04/01/26/497040126.db2.gz PUQMGJHTDWKTSW-LJQANCHMSA-N 1 0 357.498 3.170 50 0 FGAARO O=C(C[N@H+]1CCC[C@@](O)(c2ccccc2)CC1)NCc1ccc(Cl)cc1 ZINC000225674876 497071921 /nfs/dbraw/zinc/07/19/21/497071921.db2.gz SHUQGALPVPVZDR-NRFANRHFSA-N 1 0 372.896 3.330 50 0 FGAARO C[N@H+](Cc1ccccn1)[C@H]1CCCN(c2nnc(-c3ccon3)s2)CC1 ZINC000225823631 497077117 /nfs/dbraw/zinc/07/71/17/497077117.db2.gz GTDSOBOWSQFCQZ-HNNXBMFYSA-N 1 0 370.482 3.079 50 0 FGAARO COc1ccc(-c2cc(C(=O)NC[C@H](C)[N@H+]3C[C@H](C)C[C@H](C)C3)no2)cc1 ZINC000227156196 497087806 /nfs/dbraw/zinc/08/78/06/497087806.db2.gz DCSKXLKVLHNNMH-XHSDSOJGSA-N 1 0 371.481 3.446 50 0 FGAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)/C=C\c2ccc(Cl)c(Cl)c2)C1 ZINC000229646183 497099107 /nfs/dbraw/zinc/09/91/07/497099107.db2.gz NSSIZCKZSXKMKL-VOKGJARPSA-N 1 0 371.308 3.480 50 0 FGAARO COc1ccccc1NC(=O)CC[N@H+](C)Cc1ccc2nsnc2c1 ZINC000252479832 497302186 /nfs/dbraw/zinc/30/21/86/497302186.db2.gz BNMKESWCUSJSAB-UHFFFAOYSA-N 1 0 356.451 3.161 50 0 FGAARO Cc1ccc(NC(=O)CCN2CCC([NH+]3CCSCC3)CC2)c(C)c1 ZINC000252482177 497302447 /nfs/dbraw/zinc/30/24/47/497302447.db2.gz DABMSYSXQASFCQ-UHFFFAOYSA-N 1 0 361.555 3.145 50 0 FGAARO Cc1nc(COc2ccccc2/C=C\C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cs1 ZINC000255028184 497355381 /nfs/dbraw/zinc/35/53/81/497355381.db2.gz HFJZILMSNSRHNV-ZNQSWUDVSA-N 1 0 371.506 3.253 50 0 FGAARO COCCN(Cc1ccccc1F)[C@@H](C)C(=O)Nc1nc(C)cs1 ZINC000244874936 497372812 /nfs/dbraw/zinc/37/28/12/497372812.db2.gz XJWSZGRIVVGWBT-ZDUSSCGKSA-N 1 0 351.447 3.066 50 0 FGAARO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1nn(CC)c2ccccc12 ZINC000275639455 497390291 /nfs/dbraw/zinc/39/02/91/497390291.db2.gz SUDIKKYKUHIOJR-MGPUTAFESA-N 1 0 353.470 3.140 50 0 FGAARO CC(C)n1nc(C[NH2+]CCCOc2ccccn2)c(-c2ccccc2)n1 ZINC000261492152 497414722 /nfs/dbraw/zinc/41/47/22/497414722.db2.gz RQBGQHXTCHACOA-UHFFFAOYSA-N 1 0 351.454 3.480 50 0 FGAARO COc1cccc(C[NH2+]C[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)c1 ZINC000284668994 497860956 /nfs/dbraw/zinc/86/09/56/497860956.db2.gz WLLGUAXUXZHBBZ-LAUBAEHRSA-N 1 0 354.498 3.134 50 0 FGAARO O=C(Nc1ccccc1OCCc1ccccn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299755035 497912878 /nfs/dbraw/zinc/91/28/78/497912878.db2.gz BWTFKDSQICDWPL-SFHVURJKSA-N 1 0 366.465 3.015 50 0 FGAARO CCC[C@@H]1COCCN1C(=O)c1ccc(CN2CCc3ccccc3C2)o1 ZINC000299758622 497913162 /nfs/dbraw/zinc/91/31/62/497913162.db2.gz LHDGHHMOJRQHDL-LJQANCHMSA-N 1 0 368.477 3.479 50 0 FGAARO Cc1ncn(CC(=O)N2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)c1C ZINC000299758571 497913684 /nfs/dbraw/zinc/91/36/84/497913684.db2.gz JPMDDIBGJHPTTH-INIZCTEOSA-N 1 0 351.454 3.091 50 0 FGAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccccc3Cn3cccn3)[C@H]2C1 ZINC000299766080 497916770 /nfs/dbraw/zinc/91/67/70/497916770.db2.gz BQVADHIUNOCWSW-QHAWAJNXSA-N 1 0 355.482 3.090 50 0 FGAARO Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000299769094 497917233 /nfs/dbraw/zinc/91/72/33/497917233.db2.gz IYXBMKHJKCPCGW-INIZCTEOSA-N 1 0 361.877 3.238 50 0 FGAARO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(N(C)C)cc2)C1 ZINC000299766065 497917288 /nfs/dbraw/zinc/91/72/88/497917288.db2.gz BKQZFDFRJNVWLN-FQEVSTJZSA-N 1 0 365.521 3.242 50 0 FGAARO Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299778637 497920601 /nfs/dbraw/zinc/92/06/01/497920601.db2.gz NAOFVJJUDODUDE-HBMCJLEFSA-N 1 0 366.509 3.253 50 0 FGAARO Cc1cccc(C[C@H](C)NC(=O)c2ccc(Cl)cc2OCCC[NH3+])n1 ZINC000299778314 497921130 /nfs/dbraw/zinc/92/11/30/497921130.db2.gz IWPSRQRDGRPWKH-AWEZNQCLSA-N 1 0 361.873 3.132 50 0 FGAARO Cc1cc(C[C@H](C)NC(=O)CC2CC[NH+](Cc3ccccc3)CC2)[nH]n1 ZINC000299783084 497922134 /nfs/dbraw/zinc/92/21/34/497922134.db2.gz GUUXALJQABODLH-INIZCTEOSA-N 1 0 354.498 3.068 50 0 FGAARO COc1cc(-c2nc(C)cnc2C)cc2c1OCC[N@@H+]([C@H]1CCSC1)C2 ZINC000299788714 497922998 /nfs/dbraw/zinc/92/29/98/497922998.db2.gz WYWDHBPJOKRYLA-KRWDZBQOSA-N 1 0 371.506 3.469 50 0 FGAARO CCc1ncc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)cn1 ZINC000299787236 497923213 /nfs/dbraw/zinc/92/32/13/497923213.db2.gz VPKBQNGRJYECCY-LJQANCHMSA-N 1 0 352.482 3.386 50 0 FGAARO O=C(c1cccc(-c2ccccc2Cl)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000299798344 497927127 /nfs/dbraw/zinc/92/71/27/497927127.db2.gz QZUVRBHMWPGLLP-SFHVURJKSA-N 1 0 369.896 3.127 50 0 FGAARO CC(C)C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)n1cccc1 ZINC000575443475 505977167 /nfs/dbraw/zinc/97/71/67/505977167.db2.gz LMNJDPXNYICPRM-FQEVSTJZSA-N 1 0 354.498 3.466 50 0 FGAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)COc2ccccc2)CC1 ZINC000575549162 505980457 /nfs/dbraw/zinc/98/04/57/505980457.db2.gz HYEIACJVCZHQIU-UHFFFAOYSA-N 1 0 353.466 3.387 50 0 FGAARO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000333234783 498947028 /nfs/dbraw/zinc/94/70/28/498947028.db2.gz CTDXMUDSAOGVHL-PLACYPQZSA-N 1 0 364.493 3.216 50 0 FGAARO Cc1cc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)CC(C)C)C[C@]3(CO)C2)c(C)c1 ZINC000409420650 499596192 /nfs/dbraw/zinc/59/61/92/499596192.db2.gz YGRZFSLMPZSFQE-REWPJTCUSA-N 1 0 372.553 3.301 50 0 FGAARO CN1CCC(CNC(=O)c2ccc(-c3cccc(F)c3)cc2)([NH+](C)C)CC1 ZINC000426498777 500280665 /nfs/dbraw/zinc/28/06/65/500280665.db2.gz VVKRKTYPFHFTJO-UHFFFAOYSA-N 1 0 369.484 3.249 50 0 FGAARO COc1ccc(-c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2)c(OC)c1 ZINC000426506667 500281866 /nfs/dbraw/zinc/28/18/66/500281866.db2.gz MFSBGHARZFWQDF-UHFFFAOYSA-N 1 0 354.450 3.100 50 0 FGAARO O=C(NCc1c(F)cccc1Cl)N1CCC([NH+]2CCSCC2)CC1 ZINC000426513830 500283032 /nfs/dbraw/zinc/28/30/32/500283032.db2.gz ZWDGWQLXARSLPM-UHFFFAOYSA-N 1 0 371.909 3.202 50 0 FGAARO O=C(NCC[C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC(c2ccncc2)C1 ZINC000426604213 500294027 /nfs/dbraw/zinc/29/40/27/500294027.db2.gz CWIQNISQAXOKRL-FQEVSTJZSA-N 1 0 356.514 3.378 50 0 FGAARO Cn1c(SCc2ccccc2OC(F)F)nnc1C1CC[NH2+]CC1 ZINC000426674170 500304973 /nfs/dbraw/zinc/30/49/73/500304973.db2.gz JLZXABSRLHZFDM-UHFFFAOYSA-N 1 0 354.426 3.176 50 0 FGAARO Cc1nc(C)c(-c2ccc(C(=O)NCCC[N@@H+]3CCC[C@H](O)C3)cc2)s1 ZINC000426685430 500306292 /nfs/dbraw/zinc/30/62/92/500306292.db2.gz RTGMEHMFSSFISU-SFHVURJKSA-N 1 0 373.522 3.004 50 0 FGAARO CCc1ccccc1OC1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000534651757 504204175 /nfs/dbraw/zinc/20/41/75/504204175.db2.gz VEFDXIJPLHTQEB-UHFFFAOYSA-N 1 0 367.493 3.283 50 0 FGAARO Cc1csc(CN(C)C(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)n1 ZINC000584895962 507560790 /nfs/dbraw/zinc/56/07/90/507560790.db2.gz LYSBNKLLOILHPP-QGZVFWFLSA-N 1 0 373.526 3.215 50 0 FGAARO Cc1cccc(CSCCCNC(=O)N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)c1 ZINC000584896916 507562476 /nfs/dbraw/zinc/56/24/76/507562476.db2.gz HNZUJJICVORWGV-LDLYASANSA-N 1 0 361.555 3.067 50 0 FGAARO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccsc3)C2)c(OC)c1 ZINC000585150052 507579861 /nfs/dbraw/zinc/57/98/61/507579861.db2.gz JMRSAOSAGOITTE-AWEZNQCLSA-N 1 0 361.467 3.161 50 0 FGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)C[C@H]3CCc4ccccc43)cc2C1 ZINC000082146328 519854870 /nfs/dbraw/zinc/85/48/70/519854870.db2.gz TYHDTULGTZAWLU-GOSISDBHSA-N 1 0 366.509 3.235 50 0 FGAARO CCOc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)C[C@@H]2CCO)cc1 ZINC000020535856 520972354 /nfs/dbraw/zinc/97/23/54/520972354.db2.gz ROICTFNFRVEQMK-QFIPXVFZSA-N 1 0 368.521 3.463 50 0 FGAARO COc1ccc(CN2CC[NH+](CCCc3ccccc3)CC2)c(OC)c1 ZINC000020064290 524031560 /nfs/dbraw/zinc/03/15/60/524031560.db2.gz DAAQVEPXUIXYFJ-UHFFFAOYSA-N 1 0 354.494 3.454 50 0 FGAARO COc1ccc(CN2CC[NH+](CCCc3ccccc3)CC2)cc1OC ZINC000019842233 524032150 /nfs/dbraw/zinc/03/21/50/524032150.db2.gz DYWFKNFOUDANEV-UHFFFAOYSA-N 1 0 354.494 3.454 50 0 FGAARO Cc1ccc2[nH]c(C[NH+]3CCC([C@@H](O)c4ccccn4)CC3)cc(=O)c2c1 ZINC000091656977 526097657 /nfs/dbraw/zinc/09/76/57/526097657.db2.gz HUNFDWFIKCSSDD-JOCHJYFZSA-N 1 0 363.461 3.177 50 0 FGAARO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000019888717 526488657 /nfs/dbraw/zinc/48/86/57/526488657.db2.gz CGNGZYCEWOFKGI-UHFFFAOYSA-N 1 0 357.885 3.486 50 0 FGAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)NCc1cccs1 ZINC000082126900 526645193 /nfs/dbraw/zinc/64/51/93/526645193.db2.gz FBJLPDOGGAIDPD-UHFFFAOYSA-N 1 0 373.526 3.092 50 0 FGAARO Cn1c(CC2CC[NH2+]CC2)nnc1SCc1ccc(C(F)(F)F)nc1 ZINC000082109029 527047668 /nfs/dbraw/zinc/04/76/68/527047668.db2.gz NWZAGGKCODKVAL-UHFFFAOYSA-N 1 0 371.432 3.063 50 0 FGAARO Cc1ncsc1C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082133683 527481284 /nfs/dbraw/zinc/48/12/84/527481284.db2.gz CFVJYDVDKDQWLJ-UHFFFAOYSA-N 1 0 373.526 3.116 50 0 FGAARO OCC[C@@H]1CN(Cc2ccccc2OC(F)F)CC[N@@H+]1C1CCCC1 ZINC000020514605 527566322 /nfs/dbraw/zinc/56/63/22/527566322.db2.gz RIMTYNDABHXAFX-QGZVFWFLSA-N 1 0 354.441 3.099 50 0 FGAARO CCN(CC)CC[N@H+](C)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)CC1 ZINC000299801070 528119460 /nfs/dbraw/zinc/11/94/60/528119460.db2.gz VKXZWFXUNKGITJ-IBGZPJMESA-N 1 0 365.949 3.495 50 0 FGAARO O=C(Cc1nc2ccccc2o1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000670470525 571042993 /nfs/dbraw/zinc/04/29/93/571042993.db2.gz IVKTWSSGDJLRPO-UHFFFAOYSA-N 1 0 355.463 3.213 50 0 FGAARO Cc1ccc(-c2cc3n(n2)[C@@H]([NH2+]CCCc2ccccc2)CNC3=O)cc1 ZINC000263617026 571046792 /nfs/dbraw/zinc/04/67/92/571046792.db2.gz LSLPHVIGAJNBSZ-OAQYLSRUSA-N 1 0 360.461 3.323 50 0 FGAARO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCC[NH+](C)C)cc12 ZINC000078535511 571141474 /nfs/dbraw/zinc/14/14/74/571141474.db2.gz MQCLNJKXBCIDOY-UHFFFAOYSA-N 1 0 374.485 3.275 50 0 FGAARO CC(=O)c1cc(-c2ccc(C(=O)N3CC[NH+](C(C)C)CC3)cc2)ccc1O ZINC000426361113 571215282 /nfs/dbraw/zinc/21/52/82/571215282.db2.gz FXVHBBFDTLKTMP-UHFFFAOYSA-N 1 0 366.461 3.428 50 0 FGAARO Cc1ccc(OCC[NH3+])c(C(=O)NCC2(c3ccc(Cl)cc3)CC2)c1 ZINC000426372149 571216528 /nfs/dbraw/zinc/21/65/28/571216528.db2.gz BOBGZABIXSYQSV-UHFFFAOYSA-N 1 0 358.869 3.448 50 0 FGAARO CCC(=O)Nc1ccc(F)c(NC(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)c1 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IZWXAUGVYKAJAI-MAUKXSAKSA-N 1 0 373.324 3.260 50 0 FGAARO Cc1ccsc1[C@@H](CNC(=O)CCc1[nH]nc2c1CCCC2)[NH+](C)C ZINC000952967488 762537142 /nfs/dbraw/zinc/53/71/42/762537142.db2.gz AINSVIYMAPLWOG-QGZVFWFLSA-N 1 0 360.527 3.010 50 0 FGAARO Cc1ccsc1[C@H](CNC(=O)CCc1[nH]nc2c1CCCC2)[NH+](C)C ZINC000952967483 762537330 /nfs/dbraw/zinc/53/73/30/762537330.db2.gz AINSVIYMAPLWOG-KRWDZBQOSA-N 1 0 360.527 3.010 50 0 FGAARO COc1cc(Cl)cc(C[NH2+][C@H]2CCCN(C(=O)C(C)C)C2)c1OC ZINC000952991082 762540401 /nfs/dbraw/zinc/54/04/01/762540401.db2.gz MBPSFBINAGHZKD-HNNXBMFYSA-N 1 0 354.878 3.094 50 0 FGAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)c1ccccc1F ZINC000002514743 204042670 /nfs/dbraw/zinc/04/26/70/204042670.db2.gz WQDJIRCEBNDNAL-UHFFFAOYSA-N 1 0 355.409 3.396 50 0 FGAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@H](C)[NH+]1CCC(C)CC1 ZINC000002261155 204030017 /nfs/dbraw/zinc/03/00/17/204030017.db2.gz BVVJQKGJNZKJMW-ZDUSSCGKSA-N 1 0 373.453 3.022 50 0 FGAARO COc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCCC3)c(F)c1 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/nfs/dbraw/zinc/27/28/90/204272890.db2.gz LXUHSNAPWQETNH-UHFFFAOYSA-N 1 0 372.513 3.148 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1Br)Cc1ccccc1 ZINC000007683578 204303309 /nfs/dbraw/zinc/30/33/09/204303309.db2.gz IOGBYMVDVJLNNC-HNNXBMFYSA-N 1 0 361.283 3.352 50 0 FGAARO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000008406475 204331588 /nfs/dbraw/zinc/33/15/88/204331588.db2.gz MBQQGXYYNXHEPM-UHFFFAOYSA-N 1 0 354.450 3.230 50 0 FGAARO O=C(c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008994957 204351147 /nfs/dbraw/zinc/35/11/47/204351147.db2.gz ZUVWVQVADFAHKA-UHFFFAOYSA-N 1 0 372.472 3.354 50 0 FGAARO CCOC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)CCCC(C)C)cc1 ZINC000009375946 204365511 /nfs/dbraw/zinc/36/55/11/204365511.db2.gz LRVZDYJZKLEIID-SJLPKXTDSA-N 1 0 351.487 3.407 50 0 FGAARO CCOC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)CCCC(C)C)cc1 ZINC000009375945 204365647 /nfs/dbraw/zinc/36/56/47/204365647.db2.gz LRVZDYJZKLEIID-WMZOPIPTSA-N 1 0 351.487 3.407 50 0 FGAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NC(=O)NC2CCCC2)cc1 ZINC000009512988 204372076 /nfs/dbraw/zinc/37/20/76/204372076.db2.gz CMRGZWIAQTXOSS-LJQANCHMSA-N 1 0 373.497 3.381 50 0 FGAARO Cc1cccc(C[NH+]2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)c1 ZINC000009526882 204372250 /nfs/dbraw/zinc/37/22/50/204372250.db2.gz NLFCJMQKMKIVHB-UHFFFAOYSA-N 1 0 351.425 3.045 50 0 FGAARO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1ccc(O)c(OC)c1 ZINC000008743317 204342309 /nfs/dbraw/zinc/34/23/09/204342309.db2.gz JYDHNEOQKWRYBT-GOSISDBHSA-N 1 0 365.389 3.191 50 0 FGAARO C[NH+](C)CCCNC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000009907341 204386009 /nfs/dbraw/zinc/38/60/09/204386009.db2.gz YHIDDMFHTHNSKN-UHFFFAOYSA-N 1 0 371.319 3.193 50 0 FGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000010544080 204398178 /nfs/dbraw/zinc/39/81/78/204398178.db2.gz PGBCOMVFOJJNNY-CALCHBBNSA-N 1 0 360.523 3.486 50 0 FGAARO CC(=O)N1CCC([NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)CC1 ZINC000012387344 204458109 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COc1ccc(-c2csc3[nH]c(C[NH2+]CC(C)C)nc(=O)c23)cc1OC ZINC000036154275 205008013 /nfs/dbraw/zinc/00/80/13/205008013.db2.gz BGWDFQQTXHWWLU-UHFFFAOYSA-N 1 0 373.478 3.414 50 0 FGAARO CN(C)[C@H](CNS(=O)(=O)c1cccc(F)c1)c1ccccc1Cl ZINC000038630714 205041869 /nfs/dbraw/zinc/04/18/69/205041869.db2.gz YFJLTEYETUMPRZ-MRXNPFEDSA-N 1 0 356.850 3.060 50 0 FGAARO Cc1oc(-c2cccs2)nc1CN1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000038149342 205038555 /nfs/dbraw/zinc/03/85/55/205038555.db2.gz HOCLZZRWNJEKBG-MRXNPFEDSA-N 1 0 363.527 3.236 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(N2CCOC2=O)c1)c1cccs1 ZINC000040105006 205055759 /nfs/dbraw/zinc/05/57/59/205055759.db2.gz JXQBRQKWIAAEAT-HNNXBMFYSA-N 1 0 374.466 3.129 50 0 FGAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000040154239 205061000 /nfs/dbraw/zinc/06/10/00/205061000.db2.gz ZXCVUPYWMBVWHZ-MRXNPFEDSA-N 1 0 356.451 3.083 50 0 FGAARO CCCn1nc(-c2ccccc2OC)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000040427816 205070849 /nfs/dbraw/zinc/07/08/49/205070849.db2.gz DYUOCCABHSLIMR-UHFFFAOYSA-N 1 0 370.497 3.184 50 0 FGAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000047301972 205145351 /nfs/dbraw/zinc/14/53/51/205145351.db2.gz SPRIIKQBJCUNOC-UHFFFAOYSA-N 1 0 368.477 3.232 50 0 FGAARO Clc1ccc(-n2cc(C[NH2+]Cc3ccc(-n4cccn4)nc3)cn2)cc1 ZINC000048710721 205165629 /nfs/dbraw/zinc/16/56/29/205165629.db2.gz SWDWLLSKNWYSKN-UHFFFAOYSA-N 1 0 364.840 3.396 50 0 FGAARO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744726 205166030 /nfs/dbraw/zinc/16/60/30/205166030.db2.gz STKMCOOPYUTZPD-CYBMUJFWSA-N 1 0 360.404 3.473 50 0 FGAARO COc1ccc(OCC[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000049581016 205174056 /nfs/dbraw/zinc/17/40/56/205174056.db2.gz WUDGCAFEJIVSRM-GJZGRUSLSA-N 1 0 360.429 3.069 50 0 FGAARO CSCC[C@H]([NH3+])C(=O)Nc1ccccc1Sc1c(C)n[nH]c1C ZINC000055225632 205212172 /nfs/dbraw/zinc/21/21/72/205212172.db2.gz MAFRJFFYLAHYDX-LBPRGKRZSA-N 1 0 350.513 3.197 50 0 FGAARO Cn1cc(C(=O)NC2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cn1 ZINC000052903724 205189210 /nfs/dbraw/zinc/18/92/10/205189210.db2.gz GQJPEWPXAMQXQI-UHFFFAOYSA-N 1 0 372.472 3.384 50 0 FGAARO Cc1nc(CSCCC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC000058078287 205249024 /nfs/dbraw/zinc/24/90/24/205249024.db2.gz YVRSLWUPRLWWER-HNNXBMFYSA-N 1 0 355.573 3.311 50 0 FGAARO O=C(C[C@@H]1CCCO1)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000058203176 205260483 /nfs/dbraw/zinc/26/04/83/205260483.db2.gz NDFSIVNAVWMRQS-KRWDZBQOSA-N 1 0 370.415 3.355 50 0 FGAARO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000058266379 205268053 /nfs/dbraw/zinc/26/80/53/205268053.db2.gz ALGFKIZFWRCSRQ-UHFFFAOYSA-N 1 0 372.435 3.195 50 0 FGAARO Cc1cc(C)c(CCNC(=O)CN2CCC[N@@H+](C(C)(C)C)CC2)c(C)c1 ZINC000064010535 205297575 /nfs/dbraw/zinc/29/75/75/205297575.db2.gz MXPKQTKVYGPOMU-UHFFFAOYSA-N 1 0 359.558 3.077 50 0 FGAARO Cc1c(-c2nc(C3CC3)nn2-c2cc[nH+]cc2C)nnn1Cc1ccccc1 ZINC000065428628 205350125 /nfs/dbraw/zinc/35/01/25/205350125.db2.gz RJGLCWUBNISMBG-UHFFFAOYSA-N 1 0 371.448 3.463 50 0 FGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000065565322 205359962 /nfs/dbraw/zinc/35/99/62/205359962.db2.gz DRYTVWSNVROCEJ-RTBURBONSA-N 1 0 368.481 3.313 50 0 FGAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccccc2C)[nH+]1 ZINC000065363644 205338209 /nfs/dbraw/zinc/33/82/09/205338209.db2.gz FCYNTNRNBLAAEN-UHFFFAOYSA-N 1 0 368.485 3.317 50 0 FGAARO CCNc1cc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)nc(C)[nH+]1 ZINC000065364023 205339335 /nfs/dbraw/zinc/33/93/35/205339335.db2.gz NQHKFLHZKDHSEE-UHFFFAOYSA-N 1 0 368.485 3.188 50 0 FGAARO COC(=O)c1sccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000065384098 205342657 /nfs/dbraw/zinc/34/26/57/205342657.db2.gz IIFINQDYRDPIEB-OAHLLOKOSA-N 1 0 359.451 3.095 50 0 FGAARO CCc1cccc(NC(=O)c2ccc(C[N@@H+]3CC[C@@H](NC(C)=O)C3)cc2)c1 ZINC000065385468 205342782 /nfs/dbraw/zinc/34/27/82/205342782.db2.gz HGVZPCYAQTYRBG-OAQYLSRUSA-N 1 0 365.477 3.212 50 0 FGAARO C[C@H]1Cc2cc(NC(=O)c3ccc(C[NH+]4CCC(O)CC4)cc3)ccc2O1 ZINC000065417132 205347978 /nfs/dbraw/zinc/34/79/78/205347978.db2.gz VNCIRZVRJLRGDI-HNNXBMFYSA-N 1 0 366.461 3.219 50 0 FGAARO Cc1ccsc1C[N@@H+](C)Cc1cccc(C(=O)Nc2ncn(C)n2)c1 ZINC000065420177 205349069 /nfs/dbraw/zinc/34/90/69/205349069.db2.gz FXOWIHWCRKQYJB-UHFFFAOYSA-N 1 0 355.467 3.069 50 0 FGAARO CC1(C)CC(NC(=O)c2cc(COc3cccc(F)c3)n[nH]2)CC(C)(C)[NH2+]1 ZINC000067561902 205375010 /nfs/dbraw/zinc/37/50/10/205375010.db2.gz AZUAMVUMLMLMDD-UHFFFAOYSA-N 1 0 374.460 3.167 50 0 FGAARO Cc1ccccc1C[N@@H+](C)C[C@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000067675625 205382436 /nfs/dbraw/zinc/38/24/36/205382436.db2.gz WNVOJAOPTKFNOA-HSZRJFAPSA-N 1 0 366.505 3.023 50 0 FGAARO COc1ccc2cc([C@H]3CN(C(=O)C4(C)CC[NH2+]CC4)CCO3)ccc2c1 ZINC000071760225 205443615 /nfs/dbraw/zinc/44/36/15/205443615.db2.gz UMWBBVIDSHNSRN-HXUWFJFHSA-N 1 0 368.477 3.138 50 0 FGAARO C[C@@H](C1CCN(C(=O)c2ccc3sccc3c2)CC1)[NH+]1CCOCC1 ZINC000072435203 205548965 /nfs/dbraw/zinc/54/89/65/205548965.db2.gz SNLYIBQTFKNCAY-HNNXBMFYSA-N 1 0 358.507 3.474 50 0 FGAARO CCOc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000095506865 205773321 /nfs/dbraw/zinc/77/33/21/205773321.db2.gz SVYGCIHHBXIHGB-FUHWJXTLSA-N 1 0 371.506 3.165 50 0 FGAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2ccccn2)CC1 ZINC000043990992 206062121 /nfs/dbraw/zinc/06/21/21/206062121.db2.gz JMARJDUOBHZODT-UHFFFAOYSA-N 1 0 355.507 3.446 50 0 FGAARO Cc1nn(-c2ccc(C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)cc2)c(C)c1Cl ZINC000237369047 206101859 /nfs/dbraw/zinc/10/18/59/206101859.db2.gz CFWCKQWDGYEMEJ-WBMJQRKESA-N 1 0 360.889 3.342 50 0 FGAARO [NH3+][C@@H]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000237916424 206109324 /nfs/dbraw/zinc/10/93/24/206109324.db2.gz RSUMKCNDWHIQNA-SNVBAGLBSA-N 1 0 356.278 3.219 50 0 FGAARO [NH3+][C@@H]1CCN(C(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)C1 ZINC000237924614 206110754 /nfs/dbraw/zinc/11/07/54/206110754.db2.gz KVGAZMYKIZXUKF-SNVBAGLBSA-N 1 0 351.237 3.305 50 0 FGAARO C[NH+](C)CCCN(C(=O)c1ccco1)c1nc2cc3c(cc2s1)OCO3 ZINC000005122455 206190135 /nfs/dbraw/zinc/19/01/35/206190135.db2.gz YELAEPKYFQWTRN-UHFFFAOYSA-N 1 0 373.434 3.217 50 0 FGAARO CCOC(=O)C1CC[NH+](CCCOc2ccccc2Br)CC1 ZINC000006728741 206203452 /nfs/dbraw/zinc/20/34/52/206203452.db2.gz LEXAXCHZTJYMIL-UHFFFAOYSA-N 1 0 370.287 3.493 50 0 FGAARO CCN1CCc2c(sc(NC(=O)C3CCCCC3)c2C(=O)OC)C1 ZINC000006144913 206240822 /nfs/dbraw/zinc/24/08/22/206240822.db2.gz VTCSKXOCRAYCEO-UHFFFAOYSA-N 1 0 350.484 3.432 50 0 FGAARO Cc1cc(C(=O)N(CC[NH+](C)C)c2nc3c(cccc3Cl)s2)no1 ZINC000012229540 206287841 /nfs/dbraw/zinc/28/78/41/206287841.db2.gz HXAKNJVBXPCAJB-UHFFFAOYSA-N 1 0 364.858 3.455 50 0 FGAARO Cc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000106546584 206311311 /nfs/dbraw/zinc/31/13/11/206311311.db2.gz GYHQDVBNJQJKMO-XLIONFOSSA-N 1 0 366.465 3.008 50 0 FGAARO COc1cc(OC)c(CN2CCCC[C@H]2CN2CCOCC2)cc1Cl ZINC000216381863 206358189 /nfs/dbraw/zinc/35/81/89/206358189.db2.gz 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C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1OC(F)(F)C(F)F)C2 ZINC000220294268 206399004 /nfs/dbraw/zinc/39/90/04/206399004.db2.gz YXMQDEALZWERIG-JYAVWHMHSA-N 1 0 374.378 3.336 50 0 FGAARO O=C1N(CCc2c[nH]c3ccccc23)c2ccccc2NC12CC[NH2+]CC2 ZINC000082099392 132194689 /nfs/dbraw/zinc/19/46/89/132194689.db2.gz MSERRHPYWNPADY-UHFFFAOYSA-N 1 0 360.461 3.291 50 0 FGAARO C[NH+](C)CCn1ccnc1C1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000091426279 132201721 /nfs/dbraw/zinc/20/17/21/132201721.db2.gz STPUBWGPDQWZLS-UHFFFAOYSA-N 1 0 367.419 3.243 50 0 FGAARO Cc1cnc(C[NH2+]C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)cn1 ZINC000095519736 132213998 /nfs/dbraw/zinc/21/39/98/132213998.db2.gz ZSENUDGBKDGERP-UHFFFAOYSA-N 1 0 374.492 3.309 50 0 FGAARO CCc1ccc(C[N@H+](C)C2CCN(c3cc(=O)[nH]c(C(C)C)n3)CC2)nc1 ZINC000096140492 132220235 /nfs/dbraw/zinc/22/02/35/132220235.db2.gz JZPKXHUOMMPNFX-UHFFFAOYSA-N 1 0 369.513 3.364 50 0 FGAARO COc1cc(C)ccc1Oc1nc(C)nc(N2CCC([NH+](C)C)CC2)c1N ZINC000096291821 132224768 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c1ccc2c(c1)CCCN2CCNc1nc(-c2ccncc2)nc2c1C[NH2+]C2 ZINC000072135414 136142366 /nfs/dbraw/zinc/14/23/66/136142366.db2.gz VJPWTUDBFFDUIQ-UHFFFAOYSA-N 1 0 372.476 3.007 50 0 FGAARO Cc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)n1 ZINC000023374495 136152723 /nfs/dbraw/zinc/15/27/23/136152723.db2.gz KMKKKQKBAZMUGL-HXUWFJFHSA-N 1 0 368.500 3.316 50 0 FGAARO CNc1ccccc1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000573687710 505596694 /nfs/dbraw/zinc/59/66/94/505596694.db2.gz VRFUFLUQUBFQIV-IBGZPJMESA-N 1 0 365.477 3.446 50 0 FGAARO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccco1)c1ccc(Cl)cc1 ZINC000000921763 493778988 /nfs/dbraw/zinc/77/89/88/493778988.db2.gz HEUQRPLODPGAAR-IAGOWNOFSA-N 1 0 368.886 3.312 50 0 FGAARO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)ccc3o2)[NH+](C)C)cc1 ZINC000028290092 493784027 /nfs/dbraw/zinc/78/40/27/493784027.db2.gz HMEPBXBPZVPTQF-SFHVURJKSA-N 1 0 364.445 3.443 50 0 FGAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)cc1 ZINC000001306000 493791571 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COCCN1C[C@]2(CCC[N@H+](Cc3ccc4occc4c3)C2)CCC1=O ZINC000082092567 493978625 /nfs/dbraw/zinc/97/86/25/493978625.db2.gz OQHCYBXFHOPBOT-OAQYLSRUSA-N 1 0 356.466 3.284 50 0 FGAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)c3cc(F)ccc3Cl)cc2C1 ZINC000082108769 493980124 /nfs/dbraw/zinc/98/01/24/493980124.db2.gz XHXKVFFNHXXOTK-UHFFFAOYSA-N 1 0 364.852 3.077 50 0 FGAARO CC[C@H](CNC(=O)c1ccc(OC)cc1OC)[N@@H+]1CCc2ccccc2C1 ZINC000032445878 493990386 /nfs/dbraw/zinc/99/03/86/493990386.db2.gz QYSCJQUCDWSNQF-GOSISDBHSA-N 1 0 368.477 3.271 50 0 FGAARO CCc1ccc([C@@H](CNC(=O)c2ccc(C(=O)OC)s2)[NH+](C)C)cc1 ZINC000032734384 494010616 /nfs/dbraw/zinc/01/06/16/494010616.db2.gz PILMGQITBJRPSK-OAHLLOKOSA-N 1 0 360.479 3.130 50 0 FGAARO CC[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)C(=O)Nc1cc(C)on1 ZINC000032851180 494021685 /nfs/dbraw/zinc/02/16/85/494021685.db2.gz RZFVKFKWTSPFMY-LBPRGKRZSA-N 1 0 357.332 3.389 50 0 FGAARO COc1cc(CCC(=O)NCc2ccccc2C[NH+](C)C)cc(OC)c1 ZINC000007941675 494054970 /nfs/dbraw/zinc/05/49/70/494054970.db2.gz UAORMAFAQWBXQP-UHFFFAOYSA-N 1 0 356.466 3.014 50 0 FGAARO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035093022 494071390 /nfs/dbraw/zinc/07/13/90/494071390.db2.gz MPHGQTBMNKPRGJ-LZQZEXGQSA-N 1 0 352.906 3.028 50 0 FGAARO CC(C)c1nnsc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077385954 494073324 /nfs/dbraw/zinc/07/33/24/494073324.db2.gz JJQOXQHNKHMDGP-IBGZPJMESA-N 1 0 362.543 3.276 50 0 FGAARO C[C@H]1CCC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000035365925 494075005 /nfs/dbraw/zinc/07/50/05/494075005.db2.gz PBDQECPQIPZIES-HOCLYGCPSA-N 1 0 356.919 3.225 50 0 FGAARO CC(=O)c1cc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)cs1 ZINC000077407832 494077641 /nfs/dbraw/zinc/07/76/41/494077641.db2.gz BKPWUBXLTBMQIL-UHFFFAOYSA-N 1 0 368.502 3.266 50 0 FGAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2cn(C)c3ccc(OC)cc23)CC1 ZINC000035527047 494078822 /nfs/dbraw/zinc/07/88/22/494078822.db2.gz UYIUVWADSWZUDC-HNNXBMFYSA-N 1 0 357.498 3.314 50 0 FGAARO 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FGAARO CCOc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OC(F)F ZINC000009217709 494117606 /nfs/dbraw/zinc/11/76/06/494117606.db2.gz FWVJDHZRZPBLME-HNNXBMFYSA-N 1 0 373.363 3.133 50 0 FGAARO CCOc1ccc(CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000009368630 494122941 /nfs/dbraw/zinc/12/29/41/494122941.db2.gz JAYZSFMLJBTUKK-UHFFFAOYSA-N 1 0 367.493 3.408 50 0 FGAARO O=C1C[C@@H]([NH2+]Cc2cnc(C3CCCCC3)nc2)CN1c1ccccc1 ZINC000072121789 494127665 /nfs/dbraw/zinc/12/76/65/494127665.db2.gz PZUGTZVCNQWOIW-GOSISDBHSA-N 1 0 350.466 3.419 50 0 FGAARO COc1cccc2c1OCC(C[N@@H+]1CCC[C@H](c3cc(=O)[nH]c(C)n3)C1)=C2 ZINC000072128120 494128967 /nfs/dbraw/zinc/12/89/67/494128967.db2.gz KHLSEVZMZOMGNU-KRWDZBQOSA-N 1 0 367.449 3.155 50 0 FGAARO CC(C)(C)C[N@@H+]1CC[C@@H](C2CCN(c3nnnn3-c3ccccc3)CC2)C1 ZINC000072125263 494129817 /nfs/dbraw/zinc/12/98/17/494129817.db2.gz XKDJTMFJNSFUPW-GOSISDBHSA-N 1 0 368.529 3.247 50 0 FGAARO C[C@H]1CN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CC[NH2+]1 ZINC000072140393 494131657 /nfs/dbraw/zinc/13/16/57/494131657.db2.gz MUMQSFAFWCJZNX-INIZCTEOSA-N 1 0 363.465 3.105 50 0 FGAARO CC[C@@H](C)Oc1ccc(C[N@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)cc1Cl ZINC000072135570 494132381 /nfs/dbraw/zinc/13/23/81/494132381.db2.gz KCTMXRGYXOCADK-DNBIXMRYSA-N 1 0 353.890 3.081 50 0 FGAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(C)s3)cc2)CC1 ZINC000040115671 494134152 /nfs/dbraw/zinc/13/41/52/494134152.db2.gz WJUAXHBKLLUPHF-UHFFFAOYSA-N 1 0 357.523 3.124 50 0 FGAARO Cc1cc(NC(=O)c2ccccc2[C@H]2CC[NH2+]C2)ccc1N1CCCC1=O ZINC000072147189 494134694 /nfs/dbraw/zinc/13/46/94/494134694.db2.gz VYKIZYRFRBHWNK-INIZCTEOSA-N 1 0 363.461 3.451 50 0 FGAARO CC1CC[NH+](CCCCNC(=O)c2cccnc2OCC(F)(F)F)CC1 ZINC000040121302 494134713 /nfs/dbraw/zinc/13/47/13/494134713.db2.gz GALWKCYSQXEGKT-UHFFFAOYSA-N 1 0 373.419 3.265 50 0 FGAARO Fc1cccc(CN2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)c1 ZINC000072153066 494137003 /nfs/dbraw/zinc/13/70/03/494137003.db2.gz KGDASECCHICZGA-UHFFFAOYSA-N 1 0 350.441 3.329 50 0 FGAARO O=C(c1ccc(Cl)cn1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072156955 494137911 /nfs/dbraw/zinc/13/79/11/494137911.db2.gz IHUQBYXUQBXXKP-SFHVURJKSA-N 1 0 355.869 3.050 50 0 FGAARO Cc1ccc([C@H]2CN(C(=O)c3cncc(C)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072157982 494138260 /nfs/dbraw/zinc/13/82/60/494138260.db2.gz ZFAYODWHKZLBGR-YPAWHYETSA-N 1 0 361.489 3.401 50 0 FGAARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)NCc3cccs3)C2)c1 ZINC000072158695 494138357 /nfs/dbraw/zinc/13/83/57/494138357.db2.gz LGCSRJALQDEVIZ-MRXNPFEDSA-N 1 0 359.495 3.221 50 0 FGAARO CCc1oc2ccccc2c1C[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085772027 494138550 /nfs/dbraw/zinc/13/85/50/494138550.db2.gz UBBZHKMSEDOHAU-OAHLLOKOSA-N 1 0 364.511 3.099 50 0 FGAARO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCCN(Cc2cccnc2)CC1 ZINC000072159134 494138573 /nfs/dbraw/zinc/13/85/73/494138573.db2.gz UBAZRRHMFKMMID-GOSISDBHSA-N 1 0 367.493 3.197 50 0 FGAARO Cn1ncc2c1nc(C1CCCC1)nc2NCCC12CCC[NH+]1CCC2 ZINC000072163028 494138986 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CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000072414631 494167933 /nfs/dbraw/zinc/16/79/33/494167933.db2.gz KUWCLJJKBYIKEL-UHFFFAOYSA-N 1 0 369.314 3.012 50 0 FGAARO Cc1ccc([C@H]2CN(C(=O)c3cnccc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072418319 494167694 /nfs/dbraw/zinc/16/76/94/494167694.db2.gz YEJHPVHKBSADQW-YPAWHYETSA-N 1 0 361.489 3.401 50 0 FGAARO CCc1cc(NC2CC[NH+](Cc3ccccn3)CC2)n2nc(C)c(C)c2n1 ZINC000072424310 494170496 /nfs/dbraw/zinc/17/04/96/494170496.db2.gz STZWGZFSQDBDMU-UHFFFAOYSA-N 1 0 364.497 3.380 50 0 FGAARO CC[NH+]1CCC(NC(=O)CSc2nc3ccccc3n2CC(C)C)CC1 ZINC000011489888 494179118 /nfs/dbraw/zinc/17/91/18/494179118.db2.gz JVCVIXZUKRLTQD-UHFFFAOYSA-N 1 0 374.554 3.385 50 0 FGAARO C[C@@H]1CCCC[N@@H+]1C1CN(c2nc(C3CCCC3)nc3c2cnn3C)C1 ZINC000072475946 494179979 /nfs/dbraw/zinc/17/99/79/494179979.db2.gz HZWZOQMULWSMJE-CQSZACIVSA-N 1 0 354.502 3.084 50 0 FGAARO Cc1ncc(Cl)c(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC000072477061 494181251 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C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012284474 494219107 /nfs/dbraw/zinc/21/91/07/494219107.db2.gz PBXDHAQYYXHVRR-HKUYNNGSSA-N 1 0 365.477 3.042 50 0 FGAARO C/C=C(\C)C[NH+]1CCC(Oc2cc(OC)ccc2C(=O)NC2CC2)CC1 ZINC000012297580 494220748 /nfs/dbraw/zinc/22/07/48/494220748.db2.gz GYDAUZGHRQKGTJ-SYZQJQIISA-N 1 0 358.482 3.397 50 0 FGAARO O=C(CCC1CC[NH+](CCCc2ccccc2)CC1)NC[C@@H]1CCCO1 ZINC000012387092 494228988 /nfs/dbraw/zinc/22/89/88/494228988.db2.gz KAPOTSOONKLBJT-NRFANRHFSA-N 1 0 358.526 3.407 50 0 FGAARO Cc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000012543506 494240217 /nfs/dbraw/zinc/24/02/17/494240217.db2.gz WOCHZDMXQGZKPM-UHFFFAOYSA-N 1 0 353.466 3.073 50 0 FGAARO CSc1ccc(C[NH2+][C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)cc1 ZINC000012592478 494245032 /nfs/dbraw/zinc/24/50/32/494245032.db2.gz CDOQXSRSQUCBQQ-GOSISDBHSA-N 1 0 352.503 3.266 50 0 FGAARO Fc1cccc(N[C@H]2CCC[N@H+](Cc3cccn3-c3ncccn3)C2)c1 ZINC000012710593 494251685 /nfs/dbraw/zinc/25/16/85/494251685.db2.gz GISVGLRKKGPCLL-SFHVURJKSA-N 1 0 351.429 3.483 50 0 FGAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000012997747 494274836 /nfs/dbraw/zinc/27/48/36/494274836.db2.gz JJNVMSDRZCIIQB-AWEZNQCLSA-N 1 0 351.878 3.001 50 0 FGAARO Cc1ccc(NC(=S)N2CCC[N@H+](CCc3ccncc3)CC2)cc1 ZINC000013689617 494293713 /nfs/dbraw/zinc/29/37/13/494293713.db2.gz YASALQVKQQZKTL-UHFFFAOYSA-N 1 0 354.523 3.337 50 0 FGAARO Cc1cc(Br)ccc1-c1ccc(CNCCC[NH2+]CCO)o1 ZINC000013733248 494295427 /nfs/dbraw/zinc/29/54/27/494295427.db2.gz IEDFQDRCMLBYQQ-UHFFFAOYSA-N 1 0 367.287 3.079 50 0 FGAARO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(NCc2cccc(F)c2)nc1 ZINC000014950345 494330586 /nfs/dbraw/zinc/33/05/86/494330586.db2.gz UQJOQOPQSGTWDL-LJQANCHMSA-N 1 0 370.472 3.437 50 0 FGAARO Cc1cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)n(Cc2ccccc2)n1 ZINC000044074857 494337586 /nfs/dbraw/zinc/33/75/86/494337586.db2.gz WESZJTUKFOIENM-UHFFFAOYSA-N 1 0 367.497 3.332 50 0 FGAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccncc3)C2)cc1 ZINC000015074267 494337969 /nfs/dbraw/zinc/33/79/69/494337969.db2.gz CTRSEGLWQUREKA-NRFANRHFSA-N 1 0 353.510 3.477 50 0 FGAARO CCCC(=O)N(CCOC)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000015075355 494338244 /nfs/dbraw/zinc/33/82/44/494338244.db2.gz XYBFMUKILCDODD-UHFFFAOYSA-N 1 0 362.514 3.182 50 0 FGAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCC[N@@H+]3CCCC[C@@H]3C)c21 ZINC000015727442 494365782 /nfs/dbraw/zinc/36/57/82/494365782.db2.gz PNISODKGOUUQDW-LBPRGKRZSA-N 1 0 360.458 3.303 50 0 FGAARO CC(C)N(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000019223923 494438173 /nfs/dbraw/zinc/43/81/73/494438173.db2.gz AMTHFBJVFHPERY-FQEVSTJZSA-N 1 0 357.542 3.230 50 0 FGAARO Cc1nn(C)cc1C[N@@H+](C)Cc1ccccc1-c1nc(C(C)C)cc(=O)[nH]1 ZINC000019229149 494438306 /nfs/dbraw/zinc/43/83/06/494438306.db2.gz QZWHWJSNLMUQNM-UHFFFAOYSA-N 1 0 365.481 3.234 50 0 FGAARO O=C1c2ccccc2C(=O)N1CCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000019371946 494442989 /nfs/dbraw/zinc/44/29/89/494442989.db2.gz ZDTFRBPRFVTLNH-UHFFFAOYSA-N 1 0 369.509 3.013 50 0 FGAARO CC(=O)Nc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000019720330 494458647 /nfs/dbraw/zinc/45/86/47/494458647.db2.gz JDINQMHROWMHEX-QFIPXVFZSA-N 1 0 373.541 3.094 50 0 FGAARO COc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+](C)C)cc1 ZINC000021805593 494506700 /nfs/dbraw/zinc/50/67/00/494506700.db2.gz VNVSUKBHJJLSRR-IBGZPJMESA-N 1 0 365.433 3.383 50 0 FGAARO CC(C)(C)c1ccccc1OC[C@@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000022146816 494515236 /nfs/dbraw/zinc/51/52/36/494515236.db2.gz QBYIVLSRKSVPKE-IBGZPJMESA-N 1 0 357.494 3.218 50 0 FGAARO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CCOCC2)c1 ZINC000022790245 494535029 /nfs/dbraw/zinc/53/50/29/494535029.db2.gz DHGCNZSOKUEKJH-UHFFFAOYSA-N 1 0 368.506 3.023 50 0 FGAARO CC[NH+]1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1 ZINC000022817158 494537533 /nfs/dbraw/zinc/53/75/33/494537533.db2.gz NMTMWSIONFQXQK-GOSISDBHSA-N 1 0 351.494 3.168 50 0 FGAARO OCC[C@@H]1C[N@H+](Cc2cccc3cccnc32)CCN1Cc1ccsc1 ZINC000022913057 494542024 /nfs/dbraw/zinc/54/20/24/494542024.db2.gz FJZLUWJVBFKCMX-HXUWFJFHSA-N 1 0 367.518 3.365 50 0 FGAARO CCOc1cc(C[NH2+]C[C@H]2CCCN2CC)cc(Br)c1OC ZINC000022936448 494543284 /nfs/dbraw/zinc/54/32/84/494543284.db2.gz OBVMIONUZNVUJR-CQSZACIVSA-N 1 0 371.319 3.430 50 0 FGAARO COc1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1O ZINC000091270087 494577155 /nfs/dbraw/zinc/57/71/55/494577155.db2.gz NWPUYTLROTTZIK-ZWKOTPCHSA-N 1 0 366.461 3.137 50 0 FGAARO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(ccn3C)c2)C[C@H]1c1ccc(C)o1 ZINC000091306046 494580100 /nfs/dbraw/zinc/58/01/00/494580100.db2.gz YZAOVQNLHBJGDU-RTBURBONSA-N 1 0 351.450 3.184 50 0 FGAARO Cc1c(C(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)[nH]c2c1c(C)ccc2C ZINC000091325984 494583547 /nfs/dbraw/zinc/58/35/47/494583547.db2.gz KQNBLMQNXSPEDI-GOSISDBHSA-N 1 0 369.509 3.420 50 0 FGAARO CC(C)Cc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cc1 ZINC000091440111 494599535 /nfs/dbraw/zinc/59/95/35/494599535.db2.gz FOIBVTWAECJBRN-PKTZIBPZSA-N 1 0 374.569 3.180 50 0 FGAARO COC[C@]1(O)CC[N@H+](Cc2cccc(-n3nc(C)cc3C)c2)CC1(C)C ZINC000091536493 494615250 /nfs/dbraw/zinc/61/52/50/494615250.db2.gz GJQNAHNDACGTAP-OAQYLSRUSA-N 1 0 357.498 3.099 50 0 FGAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000091596061 494625188 /nfs/dbraw/zinc/62/51/88/494625188.db2.gz YVNOSKGWXGOUTF-UHFFFAOYSA-N 1 0 350.890 3.191 50 0 FGAARO Cc1c2cc(C)ccc2oc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2 ZINC000091620791 494629553 /nfs/dbraw/zinc/62/95/53/494629553.db2.gz ZXPBBRQPIDQBOQ-ZWKOTPCHSA-N 1 0 369.509 3.034 50 0 FGAARO CCC1(CC)CC[N@H+](C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)C1 ZINC000067908659 494691484 /nfs/dbraw/zinc/69/14/84/494691484.db2.gz LVYKKTQCVLWEHF-QFIPXVFZSA-N 1 0 358.526 3.095 50 0 FGAARO Cc1cc(C[NH+]2CCCC2)ccc1Oc1nc2c(cc1C(N)=O)CCC2 ZINC000067934138 494697966 /nfs/dbraw/zinc/69/79/66/494697966.db2.gz MXXFMLNLGKWEOT-UHFFFAOYSA-N 1 0 351.450 3.366 50 0 FGAARO Cc1ccc(Sc2ccc(C[NH+]3CCC4(CC3)[C@H](O)C[C@@H]4O)o2)cc1 ZINC000091847867 494704430 /nfs/dbraw/zinc/70/44/30/494704430.db2.gz FOJUUSWWHBFEHL-HDICACEKSA-N 1 0 359.491 3.447 50 0 FGAARO CCCOCC[NH+]1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000091871901 494709386 /nfs/dbraw/zinc/70/93/86/494709386.db2.gz WJYVJRFRZJVEAL-UHFFFAOYSA-N 1 0 366.452 3.206 50 0 FGAARO COc1ccccc1-n1cc(C2=CCN(CC[NH+]3CCCCC3)CC2)cn1 ZINC000067975184 494716662 /nfs/dbraw/zinc/71/66/62/494716662.db2.gz MQCIHGRHLQATOG-UHFFFAOYSA-N 1 0 366.509 3.456 50 0 FGAARO COc1ccc(CCC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC000067982549 494718653 /nfs/dbraw/zinc/71/86/53/494718653.db2.gz NSRUZPJVEBHLRN-UHFFFAOYSA-N 1 0 353.466 3.070 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)Cc1csc(-c2ccco2)n1)c1cccs1 ZINC000025344996 494727662 /nfs/dbraw/zinc/72/76/62/494727662.db2.gz GBXWASSZRVTTJH-CYBMUJFWSA-N 1 0 361.492 3.426 50 0 FGAARO C[NH+](C)C1(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)CCCCCC1 ZINC000025443670 494743052 /nfs/dbraw/zinc/74/30/52/494743052.db2.gz ILCKROQQMJYOBO-UHFFFAOYSA-N 1 0 371.525 3.127 50 0 FGAARO CCOC(=O)Nc1cccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000027585924 494875492 /nfs/dbraw/zinc/87/54/92/494875492.db2.gz VQDJAMBCWYMYPI-LJQANCHMSA-N 1 0 369.465 3.158 50 0 FGAARO CCOc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]([NH2+]C)C3)s2)cc1 ZINC000132845133 494932163 /nfs/dbraw/zinc/93/21/63/494932163.db2.gz FQMFWBRHPHULMB-HNNXBMFYSA-N 1 0 359.495 3.341 50 0 FGAARO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc(OC)c1 ZINC000095355877 494962708 /nfs/dbraw/zinc/96/27/08/494962708.db2.gz YUEARZWKKDFCMT-AZUAARDMSA-N 1 0 367.493 3.195 50 0 FGAARO CN(Cc1[nH]nc2c1CCCCC2)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095360223 494963877 /nfs/dbraw/zinc/96/38/77/494963877.db2.gz FCXIVIGXLBDWGY-INIZCTEOSA-N 1 0 370.497 3.142 50 0 FGAARO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000095366509 494965525 /nfs/dbraw/zinc/96/55/25/494965525.db2.gz XVYWJVFMLCUELC-AWEZNQCLSA-N 1 0 362.905 3.386 50 0 FGAARO CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095371177 494967281 /nfs/dbraw/zinc/96/72/81/494967281.db2.gz PHPMBEXUUXMCGM-OAHLLOKOSA-N 1 0 362.905 3.482 50 0 FGAARO COCCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095372986 494967593 /nfs/dbraw/zinc/96/75/93/494967593.db2.gz MTPGSOQPELEVKH-LJQANCHMSA-N 1 0 356.510 3.284 50 0 FGAARO Cc1cc(C)c2c(ncnc2NC2CC[NH+](C3CCSCC3)CC2)n1 ZINC000095372803 494967864 /nfs/dbraw/zinc/96/78/64/494967864.db2.gz VUBMBXZATKHAPK-UHFFFAOYSA-N 1 0 357.527 3.414 50 0 FGAARO Cc1nc2cc(CNC(=O)C3CC[NH+](Cc4ccco4)CC3)ccc2n1C ZINC000095372556 494968008 /nfs/dbraw/zinc/96/80/08/494968008.db2.gz NUXBQEDEPBNSJL-UHFFFAOYSA-N 1 0 366.465 3.003 50 0 FGAARO Cc1nc2ccccn2c1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095376967 494968432 /nfs/dbraw/zinc/96/84/32/494968432.db2.gz TZWVITQGMWMVAW-WOJBJXKFSA-N 1 0 374.488 3.379 50 0 FGAARO Cc1c[nH]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c(C)c1=O ZINC000095375078 494968572 /nfs/dbraw/zinc/96/85/72/494968572.db2.gz KMYLYNNCKAKIJA-VQTJNVASSA-N 1 0 351.494 3.088 50 0 FGAARO Cc1ccc(-c2cc(C[N@H+]3C[C@@H](C(C)C)[C@H](NC(=O)N(C)C)C3)on2)cc1 ZINC000095498962 494980199 /nfs/dbraw/zinc/98/01/99/494980199.db2.gz WFTLVLNTXZCWMM-AZUAARDMSA-N 1 0 370.497 3.378 50 0 FGAARO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000095502259 494981191 /nfs/dbraw/zinc/98/11/91/494981191.db2.gz UEWMSZKXZOUDRU-GOSISDBHSA-N 1 0 363.461 3.478 50 0 FGAARO C=Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)cc1 ZINC000095501287 494981262 /nfs/dbraw/zinc/98/12/62/494981262.db2.gz KLUQFRFPJTWWET-HXUWFJFHSA-N 1 0 366.509 3.498 50 0 FGAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2cc[nH]c2C)cc1 ZINC000095512842 494984261 /nfs/dbraw/zinc/98/42/61/494984261.db2.gz BPVKMBQDSBNZIG-UHFFFAOYSA-N 1 0 369.509 3.358 50 0 FGAARO Cc1ccc([C@@H]2CN(C(=O)c3nn(C)c4ccccc34)C[C@H]2[NH+](C)C)cc1 ZINC000095511757 494984449 /nfs/dbraw/zinc/98/44/49/494984449.db2.gz FTSPMUWLHUULHU-AZUAARDMSA-N 1 0 362.477 3.052 50 0 FGAARO CCOC(=O)c1coc(N2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)n1 ZINC000095526265 494987094 /nfs/dbraw/zinc/98/70/94/494987094.db2.gz CPAPGFYRWJRFQA-QGZVFWFLSA-N 1 0 369.465 3.310 50 0 FGAARO Cc1ccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)cc1C ZINC000095526326 494987366 /nfs/dbraw/zinc/98/73/66/494987366.db2.gz NCTVHHFINXXMQL-FQEVSTJZSA-N 1 0 368.525 3.471 50 0 FGAARO CCOCc1cc(C[NH+]2CCC3(CC(=O)N(CC)C3)CC2)ccc1OC ZINC000095528908 494988280 /nfs/dbraw/zinc/98/82/80/494988280.db2.gz CACREOPWCBPGJQ-UHFFFAOYSA-N 1 0 360.498 3.066 50 0 FGAARO C[NH2+][C@@H]1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)C1 ZINC000095971473 494993254 /nfs/dbraw/zinc/99/32/54/494993254.db2.gz YOHOCUNDOJXSCZ-MRXNPFEDSA-N 1 0 362.429 3.202 50 0 FGAARO CN(C)c1cc(C(=O)NCc2ccccc2C[NH+](C)C)c2ccccc2n1 ZINC000096003953 494995348 /nfs/dbraw/zinc/99/53/48/494995348.db2.gz VMJRSTKXVLYHCG-UHFFFAOYSA-N 1 0 362.477 3.292 50 0 FGAARO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000096007816 494995753 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C[NH+]1CCC(Cc2nc(CSCC3CC3)n(-c3ccccn3)n2)CC1 ZINC000096165796 495005464 /nfs/dbraw/zinc/00/54/64/495005464.db2.gz GSIUYHZSAHJAGA-UHFFFAOYSA-N 1 0 357.527 3.190 50 0 FGAARO C[NH+]1CCN(CCCNC(=O)Nc2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000096164666 495005557 /nfs/dbraw/zinc/00/55/57/495005557.db2.gz UUTUADUZSOIYTO-UHFFFAOYSA-N 1 0 370.472 3.252 50 0 FGAARO O=C(Nc1ccc(N2CCCC2=O)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000096165238 495005875 /nfs/dbraw/zinc/00/58/75/495005875.db2.gz QMPGUQRZUIKAIU-UHFFFAOYSA-N 1 0 370.497 3.296 50 0 FGAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Nc1cccc2nsnc21 ZINC000096180803 495006735 /nfs/dbraw/zinc/00/67/35/495006735.db2.gz XCZMAKUXPXRSLL-OAHLLOKOSA-N 1 0 367.478 3.212 50 0 FGAARO Cc1cccc(N2CC[NH+](CCCNC(=O)/C=C\c3ccccc3)CC2)c1 ZINC000096401562 495011294 /nfs/dbraw/zinc/01/12/94/495011294.db2.gz OEIABTKBKIFCFD-QXMHVHEDSA-N 1 0 363.505 3.337 50 0 FGAARO Cn1cncc1CC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000097164417 495026896 /nfs/dbraw/zinc/02/68/96/495026896.db2.gz 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ZINC000176201683 495543385 /nfs/dbraw/zinc/54/33/85/495543385.db2.gz NGMLYVZBKDSSAD-UHFFFAOYSA-N 1 0 371.525 3.219 50 0 FGAARO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000173494531 495557208 /nfs/dbraw/zinc/55/72/08/495557208.db2.gz IMMYCELPHUMOKK-QGZVFWFLSA-N 1 0 370.501 3.181 50 0 FGAARO C[C@@H](O)C[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248318014 496978380 /nfs/dbraw/zinc/97/83/80/496978380.db2.gz NVGDTKMGMLJQDI-CQSZACIVSA-N 1 0 356.857 3.117 50 0 FGAARO CCc1nc(CCNC(=O)C[NH+]2CCC(c3ccccc3)CC2)cs1 ZINC000222996890 497031645 /nfs/dbraw/zinc/03/16/45/497031645.db2.gz MLAQISSXRPROLS-UHFFFAOYSA-N 1 0 357.523 3.244 50 0 FGAARO O=C(C[N@H+]1CCC[C@](O)(c2ccccc2)CC1)NCc1ccc(Cl)cc1 ZINC000225674904 497072074 /nfs/dbraw/zinc/07/20/74/497072074.db2.gz SHUQGALPVPVZDR-OAQYLSRUSA-N 1 0 372.896 3.330 50 0 FGAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000229720534 497100731 /nfs/dbraw/zinc/10/07/31/497100731.db2.gz NQKGSYMYCQFZPB-FUHWJXTLSA-N 1 0 368.477 3.371 50 0 FGAARO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1)N1CCCC1 ZINC000192755037 497204957 /nfs/dbraw/zinc/20/49/57/497204957.db2.gz NWABIZQOIMZFHM-GOSISDBHSA-N 1 0 360.479 3.231 50 0 FGAARO CS(=O)(=O)Nc1ccc(NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000237411939 497233234 /nfs/dbraw/zinc/23/32/34/497233234.db2.gz GIQWXWINMOBBLS-UHFFFAOYSA-N 1 0 373.522 3.177 50 0 FGAARO O=c1cc(C[NH+]2CCC3(CCc4ccccc43)CC2)nc2sccn21 ZINC000252478856 497302132 /nfs/dbraw/zinc/30/21/32/497302132.db2.gz AWGSFKOYCVNQSI-UHFFFAOYSA-N 1 0 351.475 3.236 50 0 FGAARO COc1ccccc1CNC(=O)CC[N@H+](C)Cc1cc2cc(F)ccc2[nH]1 ZINC000252483889 497304180 /nfs/dbraw/zinc/30/41/80/497304180.db2.gz FKQDDJVOTXFXNM-UHFFFAOYSA-N 1 0 369.440 3.454 50 0 FGAARO COCCOC1CCN(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000252501562 497307418 /nfs/dbraw/zinc/30/74/18/497307418.db2.gz UHKKYKGSAIYPLU-UHFFFAOYSA-N 1 0 374.525 3.330 50 0 FGAARO C[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C1(CO)CCOCC1 ZINC000252509646 497308270 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O=C(NCC12CCC[NH+]1CCC2)[C@@H](c1ccc(F)cc1)N1CCCCC1 ZINC000244858421 497371790 /nfs/dbraw/zinc/37/17/90/497371790.db2.gz VKWAFLUQJWOHJR-LJQANCHMSA-N 1 0 359.489 3.097 50 0 FGAARO COc1ccc([C@H]([NH2+]C2CSCCSC2)[C@H]2C[C@@H](O)C2)cc1F ZINC000244874550 497373000 /nfs/dbraw/zinc/37/30/00/497373000.db2.gz XDBUTLVOVSNDPX-QEORTHHSSA-N 1 0 357.516 3.085 50 0 FGAARO COc1ccc([C@@H]([NH2+]C2CSCCSC2)[C@H]2C[C@@H](O)C2)cc1F ZINC000244874549 497373300 /nfs/dbraw/zinc/37/33/00/497373300.db2.gz XDBUTLVOVSNDPX-HACGYAERSA-N 1 0 357.516 3.085 50 0 FGAARO Cc1ccccc1C[N@H+](C[C@@H](O)COCc1ccco1)C[C@H]1CCCO1 ZINC000245343223 497378353 /nfs/dbraw/zinc/37/83/53/497378353.db2.gz IRJQJKNGCOPVSJ-WOJBJXKFSA-N 1 0 359.466 3.147 50 0 FGAARO CNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1Cc1ccc(OC(C)C)cc1 ZINC000257185600 497384945 /nfs/dbraw/zinc/38/49/45/497384945.db2.gz JQWOQARRAQGEEQ-LEWJYISDSA-N 1 0 368.477 3.242 50 0 FGAARO Cc1ccncc1C(=O)N1CCC2(CC1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000257179144 497385483 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CSc1ccccc1-c1cccc(C(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000299755364 497912928 /nfs/dbraw/zinc/91/29/28/497912928.db2.gz HXEJDTIOANKOOF-UHFFFAOYSA-N 1 0 370.518 3.262 50 0 FGAARO O=C(Nc1cccc(C(=O)N2CCCCC2)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000299761242 497915373 /nfs/dbraw/zinc/91/53/73/497915373.db2.gz XXORQIIWNNBOQY-IBGZPJMESA-N 1 0 370.497 3.015 50 0 FGAARO O=C(Nc1cccc(C(F)(F)F)c1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000299769053 497916470 /nfs/dbraw/zinc/91/64/70/497916470.db2.gz MBKQYOUAMHAHMN-MRXNPFEDSA-N 1 0 371.403 3.424 50 0 FGAARO C[NH+]1CCC(O)(c2ccc3c(c2)CN(Cc2cccs2)CCO3)CC1 ZINC000299771722 497917992 /nfs/dbraw/zinc/91/79/92/497917992.db2.gz VWUMHLCVEARYFS-UHFFFAOYSA-N 1 0 358.507 3.056 50 0 FGAARO Cc1ccc([C@H](C)CC[N@@H+]2CCn3nc(CNc4ncccn4)cc3C2)o1 ZINC000299778304 497921217 /nfs/dbraw/zinc/92/12/17/497921217.db2.gz PWZULQLBPHLLQX-OAHLLOKOSA-N 1 0 366.469 3.196 50 0 FGAARO CSCC[NH+]1CCC(NC(=O)c2cccc(-c3nccs3)c2)CC1 ZINC000299793737 497924680 /nfs/dbraw/zinc/92/46/80/497924680.db2.gz HHHIQZDYNPTBHR-UHFFFAOYSA-N 1 0 361.536 3.367 50 0 FGAARO CCc1nnc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)[nH]1 ZINC000299802480 497928508 /nfs/dbraw/zinc/92/85/08/497928508.db2.gz WXSDYIOKKGZMKM-SFHVURJKSA-N 1 0 359.493 3.239 50 0 FGAARO Cc1nsc(C)c1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000292506456 498041515 /nfs/dbraw/zinc/04/15/15/498041515.db2.gz CVASUVIPWIVXGP-INIZCTEOSA-N 1 0 371.506 3.478 50 0 FGAARO Cc1nn(C)c(C)c1C(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575620744 505985149 /nfs/dbraw/zinc/98/51/49/505985149.db2.gz LWNHFQHEBKUTBC-INIZCTEOSA-N 1 0 356.495 3.284 50 0 FGAARO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289473662 498159466 /nfs/dbraw/zinc/15/94/66/498159466.db2.gz ZFUWZJFIUFDNEK-IMFGXOCKSA-N 1 0 365.477 3.290 50 0 FGAARO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)[C@@H]1CCC[C@H]1O ZINC000289580509 498203818 /nfs/dbraw/zinc/20/38/18/498203818.db2.gz JXMOTWZOTBMPEG-NHCUHLMSSA-N 1 0 362.477 3.339 50 0 FGAARO 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FGAARO O=C1OCCN1CC[NH2+]C1CCN(c2ccc(-c3ccccc3)cc2)CC1 ZINC000023542546 136153138 /nfs/dbraw/zinc/15/31/38/136153138.db2.gz GRYKNKDRMUCUQN-UHFFFAOYSA-N 1 0 365.477 3.364 50 0 FGAARO [NH3+]CCOc1cccc(C(=O)N(Cc2cccnc2)C2CCCCC2)c1 ZINC000426372507 263567774 /nfs/dbraw/zinc/56/77/74/263567774.db2.gz SLTWOADKNYCOMW-UHFFFAOYSA-N 1 0 353.466 3.394 50 0 FGAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)N1CC(Oc2ccccc2)C1 ZINC000426475560 263598217 /nfs/dbraw/zinc/59/82/17/263598217.db2.gz REXUJQFHVOVCEJ-UHFFFAOYSA-N 1 0 357.498 3.114 50 0 FGAARO OCC1([C@@H]([NH2+]Cc2cccc3c2OC(F)(F)O3)C2CCOCC2)CCC1 ZINC000573915216 505650262 /nfs/dbraw/zinc/65/02/62/505650262.db2.gz TYPAHMHFKZSJIP-KRWDZBQOSA-N 1 0 369.408 3.056 50 0 FGAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2C)C1 ZINC000000895073 493778045 /nfs/dbraw/zinc/77/80/45/493778045.db2.gz YXBZMJVSQZEZRQ-AWEZNQCLSA-N 1 0 352.862 3.252 50 0 FGAARO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)[C@H]1CCc2ccccc21 ZINC000029485598 493841621 /nfs/dbraw/zinc/84/16/21/493841621.db2.gz OQQRSZLHWGXJIJ-FQEVSTJZSA-N 1 0 363.461 3.137 50 0 FGAARO CN1CC[N@H+](CCCNC(=O)CCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030000058 493872770 /nfs/dbraw/zinc/87/27/70/493872770.db2.gz WZQRUYRWTDNGAT-JOCHJYFZSA-N 1 0 365.521 3.114 50 0 FGAARO COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000004983456 493905740 /nfs/dbraw/zinc/90/57/40/493905740.db2.gz JPOILGFECLNJDZ-UHFFFAOYSA-N 1 0 359.857 3.353 50 0 FGAARO Cc1ccc(SCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000032896452 494024967 /nfs/dbraw/zinc/02/49/67/494024967.db2.gz YZPYGAMHVRSMFT-UHFFFAOYSA-N 1 0 355.507 3.478 50 0 FGAARO COCCC[N@@H+]1CCc2nc(SCc3ccc(C)cc3)[nH]c(=O)c2C1 ZINC000033287222 494057186 /nfs/dbraw/zinc/05/71/86/494057186.db2.gz HMOKPZUUPXNFDD-UHFFFAOYSA-N 1 0 359.495 3.178 50 0 FGAARO O=S(=O)(Cc1cccc(F)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000033312300 494058366 /nfs/dbraw/zinc/05/83/66/494058366.db2.gz IRCWVBVYPJFUBZ-UHFFFAOYSA-N 1 0 368.518 3.244 50 0 FGAARO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cc1 ZINC000077340936 494061406 /nfs/dbraw/zinc/06/14/06/494061406.db2.gz QAVNLXBGDLQGTJ-QFIPXVFZSA-N 1 0 358.526 3.181 50 0 FGAARO CC(C)c1cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)[nH]n1 ZINC000077406284 494076503 /nfs/dbraw/zinc/07/65/03/494076503.db2.gz WGHUFQIPWRXBDV-UHFFFAOYSA-N 1 0 354.498 3.314 50 0 FGAARO CCCc1ccc(C[NH+]2CCC(c3nnc(CN4CCCC4)n3C)CC2)o1 ZINC000077423284 494081298 /nfs/dbraw/zinc/08/12/98/494081298.db2.gz QNRHNAXHUSABFJ-UHFFFAOYSA-N 1 0 371.529 3.336 50 0 FGAARO CC(C)C[C@H](O)C1CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000077426859 494081538 /nfs/dbraw/zinc/08/15/38/494081538.db2.gz CDURCNRYHAVQOT-QFIPXVFZSA-N 1 0 360.542 3.138 50 0 FGAARO c1cn(CCOc2ccc(CN3CCC[N@@H+](C4CCCC4)CC3)cc2)cn1 ZINC000077436921 494081579 /nfs/dbraw/zinc/08/15/79/494081579.db2.gz NEHQTTOGJDQKPJ-UHFFFAOYSA-N 1 0 368.525 3.412 50 0 FGAARO C[NH2+][C@@H](C)C(=O)Nc1nn(-c2ccc(F)cc2)c2cc(OC(C)C)ccc12 ZINC000077427450 494081734 /nfs/dbraw/zinc/08/17/34/494081734.db2.gz ODQLLJOTSRFQNS-ZDUSSCGKSA-N 1 0 370.428 3.498 50 0 FGAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)Cc1ccc(CO)cc1 ZINC000077469900 494089278 /nfs/dbraw/zinc/08/92/78/494089278.db2.gz ZVOSNOQLDSJMBF-UHFFFAOYSA-N 1 0 366.505 3.092 50 0 FGAARO CCn1nc(C(C)C)cc1-c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000071278698 494089290 /nfs/dbraw/zinc/08/92/90/494089290.db2.gz DHEBMOGUXVYKNB-UHFFFAOYSA-N 1 0 352.442 3.093 50 0 FGAARO COCCN1C[C@]2(CCC[N@H+](Cc3cc4ccccc4n3C)C2)CCC1=O ZINC000077487276 494094172 /nfs/dbraw/zinc/09/41/72/494094172.db2.gz ZTZNJCHTMWVAFJ-JOCHJYFZSA-N 1 0 369.509 3.029 50 0 FGAARO CN(Cc1ccc(C[N@H+](C)[C@@H]2CCCc3ccccc32)o1)S(C)(=O)=O ZINC000071738516 494097199 /nfs/dbraw/zinc/09/71/99/494097199.db2.gz MDRDZDMPAWJWCC-LJQANCHMSA-N 1 0 362.495 3.180 50 0 FGAARO Cc1ccccc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071751219 494098309 /nfs/dbraw/zinc/09/83/09/494098309.db2.gz DJLZSMCLKVJZOY-OAQYLSRUSA-N 1 0 369.553 3.294 50 0 FGAARO Cc1cc(C[NH+]2CCC(Oc3ccccc3F)CC2)c(C)n1-n1cnnc1 ZINC000071751853 494098554 /nfs/dbraw/zinc/09/85/54/494098554.db2.gz DOSVHMXPSKQHML-UHFFFAOYSA-N 1 0 369.444 3.190 50 0 FGAARO COc1ccc(OC)c(-c2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)c(C)o2)c1 ZINC000071759444 494098945 /nfs/dbraw/zinc/09/89/45/494098945.db2.gz ZMSRHDWVPPREIM-MRXNPFEDSA-N 1 0 371.481 3.337 50 0 FGAARO COc1ccccc1OCC[N@@H+]1CCC[C@]2(CCC(=O)N(C(C)C)C2)C1 ZINC000077555068 494113606 /nfs/dbraw/zinc/11/36/06/494113606.db2.gz WAOWLBHIBXMXOA-NRFANRHFSA-N 1 0 360.498 3.187 50 0 FGAARO C[C@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000009376839 494123075 /nfs/dbraw/zinc/12/30/75/494123075.db2.gz HDLLYQLMXJHAMA-HNNXBMFYSA-N 1 0 373.884 3.498 50 0 FGAARO CCCOCC[N@@H+]1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072125341 494129255 /nfs/dbraw/zinc/12/92/55/494129255.db2.gz BTFSEYTYTSODHO-VAMGGRTRSA-N 1 0 350.453 3.253 50 0 FGAARO CC[NH+]1CCN(Cc2ccc(NC(=O)CCc3ccccc3)cc2)CC1 ZINC000040089802 494130800 /nfs/dbraw/zinc/13/08/00/494130800.db2.gz IDXYJCMMJUMXRH-UHFFFAOYSA-N 1 0 351.494 3.395 50 0 FGAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2cccc(Cl)c2)[nH+]1 ZINC000072140561 494131577 /nfs/dbraw/zinc/13/15/77/494131577.db2.gz ILRPBWKLEDVBPN-UHFFFAOYSA-N 1 0 373.888 3.271 50 0 FGAARO Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000072140575 494132199 /nfs/dbraw/zinc/13/21/99/494132199.db2.gz MFYPLDVSLCPWBY-SFHVURJKSA-N 1 0 367.493 3.461 50 0 FGAARO Cc1ccc([C@@H]2CN(C(=O)c3cccc(C)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072146352 494134618 /nfs/dbraw/zinc/13/46/18/494134618.db2.gz YQLHAGLXLPRIQJ-KSEOMHKRSA-N 1 0 361.489 3.401 50 0 FGAARO CC[NH+](CC)[C@@H](CNC(=O)c1cnc2onc(C)c2c1)c1ccsc1 ZINC000040121264 494134910 /nfs/dbraw/zinc/13/49/10/494134910.db2.gz ZFUAFYPSRRDZDW-INIZCTEOSA-N 1 0 358.467 3.406 50 0 FGAARO O=C(c1cncc(Cl)c1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072150932 494135438 /nfs/dbraw/zinc/13/54/38/494135438.db2.gz GFJMATRTEGNTDG-IBGZPJMESA-N 1 0 355.869 3.050 50 0 FGAARO COc1cc(C[N@@H+]2CCC[C@H](OCc3ccccn3)C2)cc2c1OCO2 ZINC000072150070 494136075 /nfs/dbraw/zinc/13/60/75/494136075.db2.gz FXHSMSVCURWBAM-KRWDZBQOSA-N 1 0 356.422 3.000 50 0 FGAARO CCc1nnc(CN2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)o1 ZINC000072154936 494137343 /nfs/dbraw/zinc/13/73/43/494137343.db2.gz CJXLYEVHKAOAQF-IOMROCGXSA-N 1 0 352.482 3.003 50 0 FGAARO COc1cccc([C@H]2CN(C(=O)c3occc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072161975 494139133 /nfs/dbraw/zinc/13/91/33/494139133.db2.gz YDSSBSRMOIFBGY-VAMGGRTRSA-N 1 0 366.461 3.299 50 0 FGAARO O=C1Nc2ccccc2C12CC[NH+](Cc1ccnn1-c1ccccc1)CC2 ZINC000072167611 494142073 /nfs/dbraw/zinc/14/20/73/494142073.db2.gz XWNNEACCBAAMFR-UHFFFAOYSA-N 1 0 358.445 3.358 50 0 FGAARO CC(=O)NC(C)(C)C[C@H](C)[NH+]1CCC2(CN(CCC(C)C)C(=O)O2)CC1 ZINC000072421963 494169121 /nfs/dbraw/zinc/16/91/21/494169121.db2.gz XTKUIZDAXUDLIQ-INIZCTEOSA-N 1 0 367.534 3.013 50 0 FGAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)CCc1nc(Cl)n[nH]1 ZINC000072422177 494169223 /nfs/dbraw/zinc/16/92/23/494169223.db2.gz PLXLEOFSCYHDJJ-UHFFFAOYSA-N 1 0 367.925 3.038 50 0 FGAARO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)on1 ZINC000072421632 494169478 /nfs/dbraw/zinc/16/94/78/494169478.db2.gz OXMZEDQBCJJZIZ-AZUAARDMSA-N 1 0 353.466 3.039 50 0 FGAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)CCO)cc1 ZINC000072425200 494170646 /nfs/dbraw/zinc/17/06/46/494170646.db2.gz SZJLMXRJFBVQTO-UHFFFAOYSA-N 1 0 355.413 3.111 50 0 FGAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)cc1 ZINC000072433843 494173346 /nfs/dbraw/zinc/17/33/46/494173346.db2.gz OEOIHOPYYFZYHQ-UHFFFAOYSA-N 1 0 370.493 3.331 50 0 FGAARO C[NH+](C)CC[C@@H]1CCCCN1C(=O)c1ccc(-n2cccn2)cc1Cl ZINC000072433086 494173937 /nfs/dbraw/zinc/17/39/37/494173937.db2.gz WICIKYLDTFELOE-HNNXBMFYSA-N 1 0 360.889 3.472 50 0 FGAARO Cc1ccc(Cl)cc1C(=O)N1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000072476132 494179885 /nfs/dbraw/zinc/17/98/85/494179885.db2.gz YJOMYMBCACPOQD-OAHLLOKOSA-N 1 0 350.890 3.221 50 0 FGAARO Cc1nc(C(=O)NCCc2ccc(Cl)cc2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257299 494183646 /nfs/dbraw/zinc/18/36/46/494183646.db2.gz XNNDNPZRBOKKMH-UHFFFAOYSA-N 1 0 374.916 3.393 50 0 FGAARO O=C(CCCN1CCCCC1=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000011933664 494196937 /nfs/dbraw/zinc/19/69/37/494196937.db2.gz KCJOZDSXEBXGLP-SFHVURJKSA-N 1 0 363.546 3.083 50 0 FGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000011946982 494198402 /nfs/dbraw/zinc/19/84/02/494198402.db2.gz RKEIZRIOTWBZBD-IBGZPJMESA-N 1 0 366.461 3.081 50 0 FGAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC000012055609 494201856 /nfs/dbraw/zinc/20/18/56/494201856.db2.gz YBMIZRGTAJCUBF-OAQYLSRUSA-N 1 0 355.482 3.117 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000012196392 494212579 /nfs/dbraw/zinc/21/25/79/494212579.db2.gz MBSDGLMZMZRXDQ-HNNXBMFYSA-N 1 0 361.829 3.493 50 0 FGAARO O=C(NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000012197350 494212818 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O=C(C[NH+]1CCCCCC1)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000012446980 494234513 /nfs/dbraw/zinc/23/45/13/494234513.db2.gz MDEMBYCHJCOZSZ-UHFFFAOYSA-N 1 0 372.900 3.491 50 0 FGAARO CCOc1cc(C[NH2+][C@@H](C)C2CC2)ccc1OCC(=O)N1CCCCC1 ZINC000072727478 494241851 /nfs/dbraw/zinc/24/18/51/494241851.db2.gz VNHWSXIPSMXXFZ-INIZCTEOSA-N 1 0 360.498 3.365 50 0 FGAARO O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000012594594 494244997 /nfs/dbraw/zinc/24/49/97/494244997.db2.gz RPIBFGJSIBICPZ-JOCHJYFZSA-N 1 0 369.509 3.191 50 0 FGAARO C[N@H+](C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O)C1CCCCC1 ZINC000012706573 494252154 /nfs/dbraw/zinc/25/21/54/494252154.db2.gz LLYNVESZFGXBNN-FQEVSTJZSA-N 1 0 366.452 3.083 50 0 FGAARO CC(C)[N@@H+]1C[C@H](Sc2ccc(F)cc2)C[C@H]1C(=O)NCc1cccnc1 ZINC000012727961 494252218 /nfs/dbraw/zinc/25/22/18/494252218.db2.gz GCWKQMVWIZMLNE-MOPGFXCFSA-N 1 0 373.497 3.481 50 0 FGAARO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000012747528 494254132 /nfs/dbraw/zinc/25/41/32/494254132.db2.gz DFEYDOYVMWGFMF-QZTJIDSGSA-N 1 0 367.493 3.440 50 0 FGAARO Cc1ccnn1-c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000012795940 494260241 /nfs/dbraw/zinc/26/02/41/494260241.db2.gz LWKILWHYECIMRW-HXUWFJFHSA-N 1 0 360.461 3.185 50 0 FGAARO Cc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnn1-c1cccc(C)c1 ZINC000012823567 494263856 /nfs/dbraw/zinc/26/38/56/494263856.db2.gz HYAASQXHLFCYIZ-HXUWFJFHSA-N 1 0 374.488 3.493 50 0 FGAARO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000012926240 494270628 /nfs/dbraw/zinc/27/06/28/494270628.db2.gz AMYIIRKPXUMEIL-UHFFFAOYSA-N 1 0 368.449 3.285 50 0 FGAARO c1ccc(-n2nnnc2Oc2cccc(C[NH2+]Cc3ccncc3)c2)cc1 ZINC000013717703 494294316 /nfs/dbraw/zinc/29/43/16/494294316.db2.gz LHMOUGYFZMRRJL-UHFFFAOYSA-N 1 0 358.405 3.139 50 0 FGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000014231568 494311874 /nfs/dbraw/zinc/31/18/74/494311874.db2.gz SWJZXVKVZUDTFX-YJBOKZPZSA-N 1 0 360.841 3.190 50 0 FGAARO c1cncc(-c2ncc3c(n2)CCC[C@H]3[NH2+]Cc2ccc3nonc3c2)c1 ZINC000014957663 494330266 /nfs/dbraw/zinc/33/02/66/494330266.db2.gz SWPKHTDZPQIMLS-MRXNPFEDSA-N 1 0 358.405 3.242 50 0 FGAARO Cc1cc2cc(C(=O)N[C@H]3CCCN(C4CC[NH+](C)CC4)C3)ccc2o1 ZINC000014971720 494332104 /nfs/dbraw/zinc/33/21/04/494332104.db2.gz JLQLZNACTWHRSI-SFHVURJKSA-N 1 0 355.482 3.030 50 0 FGAARO Cc1cc(C[N@@H+](C)[C@H]2CCC(=O)N(Cc3ccc(F)cc3F)CC2)on1 ZINC000015067915 494336269 /nfs/dbraw/zinc/33/62/69/494336269.db2.gz ATCCBEDGCWEJSW-INIZCTEOSA-N 1 0 363.408 3.274 50 0 FGAARO Cc1ccc(-c2c[n+](CC(=O)Nc3ccc(F)cc3)c3n2CCC3)cc1 ZINC000017014525 494406038 /nfs/dbraw/zinc/40/60/38/494406038.db2.gz KOKMMKWHSNBKPQ-UHFFFAOYSA-O 1 0 350.417 3.475 50 0 FGAARO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000019237226 494440000 /nfs/dbraw/zinc/44/00/00/494440000.db2.gz GGUULDUITSJAOK-UHFFFAOYSA-N 1 0 370.493 3.339 50 0 FGAARO COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(Cc3cccc(OC)c3)C2)cc1 ZINC000019301176 494440614 /nfs/dbraw/zinc/44/06/14/494440614.db2.gz CVPKWUUKZKSHLR-HXUWFJFHSA-N 1 0 368.477 3.236 50 0 FGAARO O=C1C[C@H]([NH2+]C2CCCCC2)C(=O)N1c1cccc(Br)c1 ZINC000019639726 494452617 /nfs/dbraw/zinc/45/26/17/494452617.db2.gz AIJFCMNRIBTEKO-AWEZNQCLSA-N 1 0 351.244 3.003 50 0 FGAARO Cc1ncc(C[NH+]2CCC(n3nccc3NC(=O)CC(C)C)CC2)s1 ZINC000019770948 494460356 /nfs/dbraw/zinc/46/03/56/494460356.db2.gz OGQJZQPPHBXWDS-UHFFFAOYSA-N 1 0 361.515 3.470 50 0 FGAARO COc1ccc2[nH]cc([C@@H](O)C[NH+]3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000019809134 494461661 /nfs/dbraw/zinc/46/16/61/494461661.db2.gz DAXJSMLPPAYFSO-NRFANRHFSA-N 1 0 369.440 3.171 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000020373490 494470842 /nfs/dbraw/zinc/47/08/42/494470842.db2.gz KNSKMVUUEGVJMH-UHFFFAOYSA-N 1 0 352.482 3.383 50 0 FGAARO CCC[NH+](CCC)CCNC(=O)c1noc2c1COc1ccc(C)cc1-2 ZINC000020509898 494475728 /nfs/dbraw/zinc/47/57/28/494475728.db2.gz CQNHTIFAOHRVCU-UHFFFAOYSA-N 1 0 357.454 3.394 50 0 FGAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560324 494475885 /nfs/dbraw/zinc/47/58/85/494475885.db2.gz JNHJARNTWVSULG-LJQANCHMSA-N 1 0 371.481 3.042 50 0 FGAARO C[C@@H]1C[C@H](NC(=O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000079559064 494481469 /nfs/dbraw/zinc/48/14/69/494481469.db2.gz XASJHNRRHAATNU-VQIMIIECSA-N 1 0 356.441 3.374 50 0 FGAARO CCOC(=O)c1nc2ccccc2c(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000021645060 494502203 /nfs/dbraw/zinc/50/22/03/494502203.db2.gz FHGUCQRKYKICCP-UHFFFAOYSA-N 1 0 368.481 3.261 50 0 FGAARO Cc1cc2[nH]c(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cc2c(C)c1 ZINC000022237954 494517459 /nfs/dbraw/zinc/51/74/59/494517459.db2.gz YRBHMJBVTCIALR-UHFFFAOYSA-N 1 0 363.465 3.184 50 0 FGAARO CCn1nc(C)c(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000067381098 494527832 /nfs/dbraw/zinc/52/78/32/494527832.db2.gz RKXIUTCHRJCYTO-HXUWFJFHSA-N 1 0 369.513 3.156 50 0 FGAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CN1Cc1cccnc1 ZINC000022917797 494542097 /nfs/dbraw/zinc/54/20/97/494542097.db2.gz PDUNTSUIGXSAHU-RTWAWAEBSA-N 1 0 372.557 3.205 50 0 FGAARO Cc1ccc(NC(=O)[C@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c(C)c1 ZINC000022931418 494543861 /nfs/dbraw/zinc/54/38/61/494543861.db2.gz LUPWCWBQURZBSR-IBGZPJMESA-N 1 0 373.541 3.255 50 0 FGAARO Cc1nc2ccc(Cl)cn2c1C[N@@H+]1CCC[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000023145040 494553114 /nfs/dbraw/zinc/55/31/14/494553114.db2.gz GZMYFNKYQPVURM-AWEZNQCLSA-N 1 0 371.872 3.067 50 0 FGAARO OCC[NH2+]CCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000023468458 494568573 /nfs/dbraw/zinc/56/85/73/494568573.db2.gz JXFSDCASNYYTBQ-UHFFFAOYSA-N 1 0 369.292 3.244 50 0 FGAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000091452311 494601117 /nfs/dbraw/zinc/60/11/17/494601117.db2.gz MVRAZXMSLIGCHL-KRWDZBQOSA-N 1 0 357.498 3.276 50 0 FGAARO COC(=O)c1cccc(OC[C@H](O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000024101398 494606299 /nfs/dbraw/zinc/60/62/99/494606299.db2.gz HWLVKFYSCDXZIR-LJQANCHMSA-N 1 0 373.424 3.017 50 0 FGAARO O=C(NC1CC1)[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000024517505 494637409 /nfs/dbraw/zinc/63/74/09/494637409.db2.gz MAYAKHICOOQQFV-QFIPXVFZSA-N 1 0 363.505 3.261 50 0 FGAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(N)nc3)CC2)C1 ZINC000091664970 494638708 /nfs/dbraw/zinc/63/87/08/494638708.db2.gz WRKBNMIMLVKKFH-IBGZPJMESA-N 1 0 364.493 3.006 50 0 FGAARO Cc1nccn1Cc1nnc(C2CC[NH+](CC3CCCCC3)CC2)n1C ZINC000091690688 494649239 /nfs/dbraw/zinc/64/92/39/494649239.db2.gz XGGOMUIAXHLSPY-UHFFFAOYSA-N 1 0 356.518 3.128 50 0 FGAARO CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000091724648 494657726 /nfs/dbraw/zinc/65/77/26/494657726.db2.gz ZTJQMBSBBZAVFO-SFHVURJKSA-N 1 0 354.498 3.106 50 0 FGAARO CCc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)cc1 ZINC000091757194 494666584 /nfs/dbraw/zinc/66/65/84/494666584.db2.gz GLYVIKLMDIHJNZ-LJQANCHMSA-N 1 0 364.497 3.002 50 0 FGAARO C[C@@H]1C[NH+](CCCCNC(=O)CCCc2c[nH]c3ccccc23)C[C@@H](C)O1 ZINC000075107217 494690642 /nfs/dbraw/zinc/69/06/42/494690642.db2.gz JQUUXEQSUDELLD-QZTJIDSGSA-N 1 0 371.525 3.496 50 0 FGAARO Cc1ccccc1-c1ccc(C[NH+]2CCC3(CC2)C(=O)NCCN3C)cc1 ZINC000067934343 494698219 /nfs/dbraw/zinc/69/82/19/494698219.db2.gz SKERECLNEWKOGX-UHFFFAOYSA-N 1 0 363.505 3.058 50 0 FGAARO C[C@H](C[NH+]1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)C(F)(F)F ZINC000091877239 494711876 /nfs/dbraw/zinc/71/18/76/494711876.db2.gz QWKHNFWCRITGQA-OAHLLOKOSA-N 1 0 369.431 3.485 50 0 FGAARO O[C@H](COCc1ccc2c(c1)OCO2)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000025299996 494717663 /nfs/dbraw/zinc/71/76/63/494717663.db2.gz RKEQDESDRXVKSL-SFHVURJKSA-N 1 0 373.424 3.097 50 0 FGAARO CCCn1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1C ZINC000091907283 494718969 /nfs/dbraw/zinc/71/89/69/494718969.db2.gz NXCFUKCAMCUFKC-VQTJNVASSA-N 1 0 366.509 3.338 50 0 FGAARO Cc1n[nH]c(C2CC[NH+](Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)n1 ZINC000092736917 494731742 /nfs/dbraw/zinc/73/17/42/494731742.db2.gz JPBLVXMXBDQBPL-UHFFFAOYSA-N 1 0 368.460 3.434 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000025419446 494738951 /nfs/dbraw/zinc/73/89/51/494738951.db2.gz GMVVCRQDSRPODK-LEWJYISDSA-N 1 0 368.477 3.277 50 0 FGAARO Fc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)cc1 ZINC000092002004 494747153 /nfs/dbraw/zinc/74/71/53/494747153.db2.gz QZXAVHYAUYQPFK-MAUKXSAKSA-N 1 0 361.486 3.257 50 0 FGAARO Cc1noc(C)c1CCC(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025539620 494755228 /nfs/dbraw/zinc/75/52/28/494755228.db2.gz JNLFELKPZDJIAY-NRFANRHFSA-N 1 0 369.509 3.423 50 0 FGAARO C[NH+](C)C1(CNC(=O)c2cnc(-c3ccccc3)[nH]c2=O)CCCCCC1 ZINC000092022463 494758866 /nfs/dbraw/zinc/75/88/66/494758866.db2.gz JMFMHPNJBRNARR-UHFFFAOYSA-N 1 0 368.481 3.234 50 0 FGAARO CC(C)c1nccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000092028664 494759996 /nfs/dbraw/zinc/75/99/96/494759996.db2.gz RWUQCYYRNZRNPJ-RBUKOAKNSA-N 1 0 364.493 3.337 50 0 FGAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)[nH]n2)cc1 ZINC000025814320 494780489 /nfs/dbraw/zinc/78/04/89/494780489.db2.gz VHIVDRLMSKKNOH-SFHVURJKSA-N 1 0 354.479 3.479 50 0 FGAARO COc1cccc([C@H](CNC(=O)c2cc(Cl)cn2C)[NH+]2CCCC2)c1 ZINC000027342309 494862865 /nfs/dbraw/zinc/86/28/65/494862865.db2.gz NPWDNIIZGWVRKH-SFHVURJKSA-N 1 0 361.873 3.254 50 0 FGAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000027388490 494865794 /nfs/dbraw/zinc/86/57/94/494865794.db2.gz CCTXNOIMTREVLO-NRFANRHFSA-N 1 0 350.462 3.033 50 0 FGAARO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CC[NH+](C)C ZINC000095347370 494960766 /nfs/dbraw/zinc/96/07/66/494960766.db2.gz SUBVPAWLYMBDLQ-INIZCTEOSA-N 1 0 353.466 3.410 50 0 FGAARO CCc1ncc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000095358369 494962610 /nfs/dbraw/zinc/96/26/10/494962610.db2.gz QMAAYEANYHOSAV-LJQANCHMSA-N 1 0 352.482 3.468 50 0 FGAARO CCCSCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095355556 494962790 /nfs/dbraw/zinc/96/27/90/494962790.db2.gz JPVKPWNTSATFAV-CEWLAPEOSA-N 1 0 374.550 3.227 50 0 FGAARO c1cnn(-c2cccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3ccccn3)C4)c2)c1 ZINC000095358733 494963742 /nfs/dbraw/zinc/96/37/42/494963742.db2.gz HKCMDWIBCIMBIY-NZQKXSOJSA-N 1 0 373.504 3.364 50 0 FGAARO CCCNc1ncc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cn1 ZINC000095373112 494967942 /nfs/dbraw/zinc/96/79/42/494967942.db2.gz MTBAEQIYWNSJHI-PZJWPPBQSA-N 1 0 365.525 3.395 50 0 FGAARO O=C1[C@H]2CC[C@H](C[N@@H+](CCOc3ccc(F)cc3)C2)N1Cc1ccccc1 ZINC000095375500 494968535 /nfs/dbraw/zinc/96/85/35/494968535.db2.gz FGVTWSISSUJMOI-AZUAARDMSA-N 1 0 368.452 3.328 50 0 FGAARO COc1ccc(F)c(F)c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095386473 494972005 /nfs/dbraw/zinc/97/20/05/494972005.db2.gz YCZFJPOMECXABO-DOTOQJQBSA-N 1 0 373.447 3.465 50 0 FGAARO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc2nsnc2c1 ZINC000095456855 494976135 /nfs/dbraw/zinc/97/61/35/494976135.db2.gz VWSBWJSFVHKQIT-UHFFFAOYSA-N 1 0 358.442 3.034 50 0 FGAARO C[C@@H]([NH2+]CC(=O)N(C)CC(=O)Nc1ccccc1Cl)C1CCCCC1 ZINC000095462559 494976830 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COc1ccc(NC(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)cn1 ZINC000096163963 495005801 /nfs/dbraw/zinc/00/58/01/495005801.db2.gz IKMUIUDHGGLPSD-QGZVFWFLSA-N 1 0 354.454 3.091 50 0 FGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc[nH]1 ZINC000096164008 495005965 /nfs/dbraw/zinc/00/59/65/495005965.db2.gz JKYFXTZMHAFXEF-IBGZPJMESA-N 1 0 369.509 3.440 50 0 FGAARO CCC(CC)[C@@H](C[NH2+]Cc1ccc(-n2cccn2)cc1)N1CCOCC1 ZINC000097287625 495031616 /nfs/dbraw/zinc/03/16/16/495031616.db2.gz YOWLUYPLGSFNBS-OAQYLSRUSA-N 1 0 356.514 3.099 50 0 FGAARO C[N@@H+]1CCC[C@@H]1CC(=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000097394344 495034788 /nfs/dbraw/zinc/03/47/88/495034788.db2.gz GXABUGMHVHDEAF-OFLPRAFFSA-N 1 0 354.498 3.437 50 0 FGAARO c1cc(-c2ccc(C[NH+]3CCC(Cc4noc(C5CC5)n4)CC3)o2)n[nH]1 ZINC000097575127 495038409 /nfs/dbraw/zinc/03/84/09/495038409.db2.gz JQSUMQYYMOBBHL-UHFFFAOYSA-N 1 0 353.426 3.385 50 0 FGAARO COc1ccc(CCN(Cc2ccccn2)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000097638054 495040140 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FGAARO O=c1c2c3c(sc2ncn1C1CC[NH+](Cc2cccnc2)CC1)CCC3 ZINC000584889335 507556970 /nfs/dbraw/zinc/55/69/70/507556970.db2.gz FQWVVALWKKQZNJ-UHFFFAOYSA-N 1 0 366.490 3.179 50 0 FGAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020725863 518882516 /nfs/dbraw/zinc/88/25/16/518882516.db2.gz IYSHTCDXPCELGZ-MRXNPFEDSA-N 1 0 360.420 3.003 50 0 FGAARO CC(C)OC[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020254578 519772292 /nfs/dbraw/zinc/77/22/92/519772292.db2.gz TXOIRWBWWGRHFH-QFIPXVFZSA-N 1 0 368.521 3.180 50 0 FGAARO CCCn1cc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)c(C)n1 ZINC000091625148 521645890 /nfs/dbraw/zinc/64/58/90/521645890.db2.gz HJPQWCJBAKIORO-GOSISDBHSA-N 1 0 354.498 3.129 50 0 FGAARO CCc1nc(C)c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccc(F)c(C)c4)[C@@H]3C2)o1 ZINC000082097667 522190123 /nfs/dbraw/zinc/19/01/23/522190123.db2.gz NWAQBUPNRFPEIC-FUHWJXTLSA-N 1 0 371.456 3.339 50 0 FGAARO COc1ccccc1N1CC[NH+](C[C@@H](O)c2c(C)[nH]c3ccccc32)CC1 ZINC000019946608 524556571 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COCCCN1C[C@]2(CCCN(c3cc[nH+]c4ccccc43)C2)CCC1=O ZINC000077353668 536548849 /nfs/dbraw/zinc/54/88/49/536548849.db2.gz MNVMODXOJLZPHF-JOCHJYFZSA-N 1 0 367.493 3.480 50 0 FGAARO COc1ccc2oc(CNC(=O)C3([NH+]4CCCC4)CCCCC3)nc2c1 ZINC000222520333 568535283 /nfs/dbraw/zinc/53/52/83/568535283.db2.gz PGCJXAPZKBSMEH-UHFFFAOYSA-N 1 0 357.454 3.251 50 0 FGAARO CC(C)(C[NH+]1CCCCC1)NC(=O)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000426477462 570606808 /nfs/dbraw/zinc/60/68/08/570606808.db2.gz WSQAFWBONPFNKM-LJQANCHMSA-N 1 0 374.529 3.037 50 0 FGAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3cccc(Br)c3)C2=O)cc1 ZINC000101507411 570820776 /nfs/dbraw/zinc/82/07/76/570820776.db2.gz BGRKWGITTHSZCA-MRXNPFEDSA-N 1 0 373.250 3.179 50 0 FGAARO CC(C)C[C@@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)n1cccc1 ZINC000575443080 571152147 /nfs/dbraw/zinc/15/21/47/571152147.db2.gz FJVGPWMDITYOHO-FQEVSTJZSA-N 1 0 354.498 3.251 50 0 FGAARO CSc1ccc([C@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1F ZINC000221903042 571175781 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CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2oc3c(cccc3C)c2C)no1 ZINC000065010064 205313564 /nfs/dbraw/zinc/31/35/64/205313564.db2.gz SMGRCDGGIVHGRC-CQSZACIVSA-N 1 0 368.437 3.314 50 0 FGAARO CCCN(CCC[NH+](CC)CC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000065475128 205353138 /nfs/dbraw/zinc/35/31/38/205353138.db2.gz PMRXWZDQISZMSN-UHFFFAOYSA-N 1 0 359.436 3.486 50 0 FGAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)Nc2cccc(F)c2C)[nH+]1 ZINC000065363177 205337739 /nfs/dbraw/zinc/33/77/39/205337739.db2.gz BKUNCCRFVIXWEY-UHFFFAOYSA-N 1 0 372.448 3.066 50 0 FGAARO CCNc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000065364723 205340473 /nfs/dbraw/zinc/34/04/73/205340473.db2.gz LINCQENNRSSSTD-UHFFFAOYSA-N 1 0 374.876 3.224 50 0 FGAARO C[N@@H+]1CCCC[C@@H]1CCc1nc(C2CC2)nn1-c1ccc2c(c1)OCO2 ZINC000065381027 205340949 /nfs/dbraw/zinc/34/09/49/205340949.db2.gz KTGCBACDCRCRRP-OAHLLOKOSA-N 1 0 354.454 3.290 50 0 FGAARO Cc1ccccc1-n1nc(CC(C)C)nc1CC[C@H](C)[NH+]1CCN(C)CC1 ZINC000065410208 205348441 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[NH3+]C1(C(=O)N2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)CC1 ZINC000067758097 205388689 /nfs/dbraw/zinc/38/86/89/205388689.db2.gz FYTSFSBGRCQKOS-UHFFFAOYSA-N 1 0 358.445 3.120 50 0 FGAARO Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000067770796 205390445 /nfs/dbraw/zinc/39/04/45/205390445.db2.gz ATUSEVLVQMRDQG-IBGZPJMESA-N 1 0 352.482 3.185 50 0 FGAARO O[C@@H]1CCCC[C@H]1n1cc(C2=CC[N@H+](CCc3ccccn3)CC2)cn1 ZINC000067804019 205391786 /nfs/dbraw/zinc/39/17/86/205391786.db2.gz GFNMLOOSXZGCSN-NHCUHLMSSA-N 1 0 352.482 3.086 50 0 FGAARO Cn1ccnc1-c1ccc(Oc2ccc(C[NH+]3CCCC3)cc2F)nn1 ZINC000067833887 205395696 /nfs/dbraw/zinc/39/56/96/205395696.db2.gz ATUNURSYEQYYOM-UHFFFAOYSA-N 1 0 353.401 3.404 50 0 FGAARO [NH3+]C1(C(=O)N2CCc3onc(-c4ccc(C(F)(F)F)cc4)c3C2)CCC1 ZINC000067854733 205397573 /nfs/dbraw/zinc/39/75/73/205397573.db2.gz SEOLODLSAWWIIQ-UHFFFAOYSA-N 1 0 365.355 3.127 50 0 FGAARO Cc1c2cc(Cl)cc(CNC(=O)[C@@H]([NH3+])CCO)c2[nH]c1-c1ccccc1 ZINC000077303945 205587075 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[NH3+][C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)C1 ZINC000237936762 206110642 /nfs/dbraw/zinc/11/06/42/206110642.db2.gz ANXFBNXMCQIWHC-IQMDTDKHSA-N 1 0 361.244 3.160 50 0 FGAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)[C@@H]1COc2ccccc2O1 ZINC000002497092 206153846 /nfs/dbraw/zinc/15/38/46/206153846.db2.gz PSHDTDQZMSOJJK-XCLFUZPHSA-N 1 0 359.422 3.031 50 0 FGAARO CN(CC(=O)Nc1cccc(Oc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000004164525 206169732 /nfs/dbraw/zinc/16/97/32/206169732.db2.gz RTUXZMHAHXEWMJ-UHFFFAOYSA-N 1 0 353.466 3.443 50 0 FGAARO C[C@H]1C(=O)[C@@H](C)[C@H](c2ccc3c(c2)OCO3)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000229983585 206228371 /nfs/dbraw/zinc/22/83/71/206228371.db2.gz DNMVOMDRHGSSGO-SRRICDNISA-N 1 0 367.401 3.371 50 0 FGAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)cc1C ZINC000104428207 206238527 /nfs/dbraw/zinc/23/85/27/206238527.db2.gz ABSSXFFDKGDUKZ-JOCHJYFZSA-N 1 0 368.521 3.381 50 0 FGAARO COc1ccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c(Cl)c1OC ZINC000106366983 206241432 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50 0 FGAARO CC[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H](O)c1cccc(O)c1 ZINC000216105898 206353203 /nfs/dbraw/zinc/35/32/03/206353203.db2.gz NRDFNAURFLWPDH-IBGZPJMESA-N 1 0 352.434 3.098 50 0 FGAARO OC[C@]1(O)CCC[N@H+](Cc2ccc3ccn(Cc4ccccc4)c3c2)CC1 ZINC000216216461 206355397 /nfs/dbraw/zinc/35/53/97/206355397.db2.gz IXVASUKNFOKKSS-QHCPKHFHSA-N 1 0 364.489 3.399 50 0 FGAARO C[NH+](C)CCOC1CCN(C(=O)[C@]2(c3ccccc3F)CC2(C)C)CC1 ZINC000216304085 206357568 /nfs/dbraw/zinc/35/75/68/206357568.db2.gz DPKORDJUSBMFFY-OAQYLSRUSA-N 1 0 362.489 3.063 50 0 FGAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000022780274 206392275 /nfs/dbraw/zinc/39/22/75/206392275.db2.gz KHSWIDWQFXIBOD-GOSISDBHSA-N 1 0 356.466 3.077 50 0 FGAARO c1cn(Cc2ccc(N3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)nc2)cn1 ZINC000077298097 132179717 /nfs/dbraw/zinc/17/97/17/132179717.db2.gz ZWIKAFAINFXBQW-QFIPXVFZSA-N 1 0 373.504 3.006 50 0 FGAARO FC(F)(F)c1cnc(N2CCC([NH2+]Cc3ccncn3)CC2)c(Cl)c1 ZINC000095381253 132209508 /nfs/dbraw/zinc/20/95/08/132209508.db2.gz AFWNKGJTACDKNR-UHFFFAOYSA-N 1 0 371.794 3.302 50 0 FGAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(c2ncccn2)CC1 ZINC000096876685 132226207 /nfs/dbraw/zinc/22/62/07/132226207.db2.gz WOKZQGQSFVJVHL-AWEZNQCLSA-N 1 0 350.388 3.249 50 0 FGAARO Cc1ccc(N2CCN(c3cc([C@H]4C[C@H]([NH3+])C4)nc(C4CC4)n3)CC2)cc1 ZINC000243885835 132289390 /nfs/dbraw/zinc/28/93/90/132289390.db2.gz ACTBHVAANINHFJ-IYARVYRRSA-N 1 0 363.509 3.194 50 0 FGAARO Cc1cccc(O[C@H](C(=O)N2CCN(c3cc[nH+]cc3C)CC2)C(C)C)c1 ZINC000244724152 132290415 /nfs/dbraw/zinc/29/04/15/132290415.db2.gz MOPMMRWDIRDELG-NRFANRHFSA-N 1 0 367.493 3.451 50 0 FGAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(COC)cc2)CC1 ZINC000057512033 136129511 /nfs/dbraw/zinc/12/95/11/136129511.db2.gz IGBSSQJYVVVELB-UHFFFAOYSA-N 1 0 353.466 3.227 50 0 FGAARO C[C@H](NC(=O)Cc1ccsc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000065607068 136136641 /nfs/dbraw/zinc/13/66/41/136136641.db2.gz PBTCTWHOFJBLFF-AWEZNQCLSA-N 1 0 361.486 3.059 50 0 FGAARO CCN1C[C@H](C[N@H+](C)Cc2ncc(C)c(OC)c2C)Oc2ccccc21 ZINC000069901985 136138148 /nfs/dbraw/zinc/13/81/48/136138148.db2.gz WSRMGBMYKODYIK-KRWDZBQOSA-N 1 0 355.482 3.426 50 0 FGAARO O=C(NCc1ccc(Cl)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928924 136138565 /nfs/dbraw/zinc/13/85/65/136138565.db2.gz JQZJGLZZQBWPDU-UHFFFAOYSA-N 1 0 358.873 3.451 50 0 FGAARO COc1ccc(CCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000070928550 136138581 /nfs/dbraw/zinc/13/85/81/136138581.db2.gz AEWUOKOJQAUCAH-UHFFFAOYSA-N 1 0 353.466 3.056 50 0 FGAARO Nc1nc(N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)cc[nH+]1 ZINC000071774621 136141060 /nfs/dbraw/zinc/14/10/60/136141060.db2.gz VHZOVJPNBCPKOY-INIZCTEOSA-N 1 0 358.445 3.410 50 0 FGAARO CCCc1nc2c(cnn2C)c(N2CCC(CC[NH+]3CCCC3)CC2)n1 ZINC000072159269 136143304 /nfs/dbraw/zinc/14/33/04/136143304.db2.gz ROQJWXSTBDRWBO-UHFFFAOYSA-N 1 0 356.518 3.018 50 0 FGAARO C[NH+](C)C1(CNC(=O)c2ccc(-c3ccccc3Cl)o2)CCOCC1 ZINC000073131071 263424363 /nfs/dbraw/zinc/42/43/63/263424363.db2.gz 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ZINC000061649635 493989886 /nfs/dbraw/zinc/98/98/86/493989886.db2.gz ZCJVIOSJTXTSII-LEWJYISDSA-N 1 0 364.489 3.065 50 0 FGAARO O=S(=O)(c1ccc(F)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000032951899 494031718 /nfs/dbraw/zinc/03/17/18/494031718.db2.gz ZUTVKLDPZGAWRT-UHFFFAOYSA-N 1 0 354.491 3.102 50 0 FGAARO Cc1ccc(S(=O)(=O)N2CCC(C[N@H+]3CCC[C@H](C)C3)CC2)cc1C ZINC000032952004 494031961 /nfs/dbraw/zinc/03/19/61/494031961.db2.gz UFYXSXILPCRVMD-INIZCTEOSA-N 1 0 364.555 3.436 50 0 FGAARO O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(-n4cccn4)c3)C2)CN1C1CC1 ZINC000077287540 494048980 /nfs/dbraw/zinc/04/89/80/494048980.db2.gz UJFDLRKSYRZHKW-JOCHJYFZSA-N 1 0 364.493 3.239 50 0 FGAARO Cn1ccnc1C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000077297998 494050943 /nfs/dbraw/zinc/05/09/43/494050943.db2.gz SRLNJGNGABDLPS-INIZCTEOSA-N 1 0 353.466 3.229 50 0 FGAARO O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077302577 494052039 /nfs/dbraw/zinc/05/20/39/494052039.db2.gz UAQUJZUSKAPTGN-ZDUSSCGKSA-N 1 0 371.403 3.287 50 0 FGAARO COCCC[N@@H+]1CCc2nc(SCc3cc(C)ccc3C)[nH]c(=O)c2C1 ZINC000033287223 494056741 /nfs/dbraw/zinc/05/67/41/494056741.db2.gz ALCJFCROMGURLV-UHFFFAOYSA-N 1 0 373.522 3.486 50 0 FGAARO O=C(CC[NH+]1CCN(C/C=C\c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000033316938 494058091 /nfs/dbraw/zinc/05/80/91/494058091.db2.gz YSBMSPZIGCRNGW-DAXSKMNVSA-N 1 0 367.468 3.485 50 0 FGAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccccn2)CC1 ZINC000008164508 494071907 /nfs/dbraw/zinc/07/19/07/494071907.db2.gz PJEHXSCHRXCMSZ-UHFFFAOYSA-N 1 0 364.371 3.105 50 0 FGAARO CCCc1n[nH]cc1C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000077408436 494077251 /nfs/dbraw/zinc/07/72/51/494077251.db2.gz MMZXNAXCPIIGLI-UHFFFAOYSA-N 1 0 354.498 3.346 50 0 FGAARO Cc1cc2ccccc2n1CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008232560 494077830 /nfs/dbraw/zinc/07/78/30/494077830.db2.gz OILIJAUYQIDSCB-LJQANCHMSA-N 1 0 351.450 3.496 50 0 FGAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cccc(-n2cccn2)c1 ZINC000077460098 494088103 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c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000019790680 494460390 /nfs/dbraw/zinc/46/03/90/494460390.db2.gz IJIKYJRSRWBHNB-UHFFFAOYSA-N 1 0 370.460 3.394 50 0 FGAARO O=C(c1ccccc1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000019888786 494463377 /nfs/dbraw/zinc/46/33/77/494463377.db2.gz XAJSHIJOTHPPHK-UHFFFAOYSA-N 1 0 363.505 3.109 50 0 FGAARO O=C1C[C@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1 ZINC000020353853 494470921 /nfs/dbraw/zinc/47/09/21/494470921.db2.gz BYRVOLCUGQWYLW-FQEVSTJZSA-N 1 0 366.436 3.333 50 0 FGAARO CC[NH+]1CCN(CCOc2c(C)cc(Br)cc2Cl)CC1 ZINC000020406291 494472663 /nfs/dbraw/zinc/47/26/63/494472663.db2.gz WRGGWPVUXCPEPF-UHFFFAOYSA-N 1 0 361.711 3.427 50 0 FGAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC[N@@H+](C)CC1 ZINC000020495618 494475194 /nfs/dbraw/zinc/47/51/94/494475194.db2.gz ONJWDLIYYHREQC-UHFFFAOYSA-N 1 0 351.809 3.220 50 0 FGAARO O=C(c1noc2c1COc1ccccc1-2)N1CC[NH+](C2CCCCC2)CC1 ZINC000020901963 494482932 /nfs/dbraw/zinc/48/29/32/494482932.db2.gz NHCTYOXKCLYYBI-UHFFFAOYSA-N 1 0 367.449 3.325 50 0 FGAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+](C)C)cc1 ZINC000021805591 494506323 /nfs/dbraw/zinc/50/63/23/494506323.db2.gz VNVSUKBHJJLSRR-LJQANCHMSA-N 1 0 365.433 3.383 50 0 FGAARO CC(C)(C)c1ccccc1OC[C@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000022146817 494515104 /nfs/dbraw/zinc/51/51/04/494515104.db2.gz QBYIVLSRKSVPKE-LJQANCHMSA-N 1 0 357.494 3.218 50 0 FGAARO Cc1sc2nc(-c3cccs3)nc(N3CC[NH+](CCO)CC3)c2c1C ZINC000022186616 494516809 /nfs/dbraw/zinc/51/68/09/494516809.db2.gz FXWIWOMGMMUDLW-UHFFFAOYSA-N 1 0 374.535 3.151 50 0 FGAARO CCOc1c(CNC[C@H]2CCC[N@@H+]2CC)cc(Br)cc1OC ZINC000022936901 494543008 /nfs/dbraw/zinc/54/30/08/494543008.db2.gz OVEVSLBDCLPXLG-OAHLLOKOSA-N 1 0 371.319 3.430 50 0 FGAARO O=S(=O)(Cc1ccccc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127659 494551440 /nfs/dbraw/zinc/55/14/40/494551440.db2.gz AWQRLWJZEIIVPG-UHFFFAOYSA-N 1 0 358.507 3.018 50 0 FGAARO C[C@@H](Sc1ccccn1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000023190247 494555502 /nfs/dbraw/zinc/55/55/02/494555502.db2.gz OSGQNHKMYWJGST-MRXNPFEDSA-N 1 0 355.507 3.343 50 0 FGAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2[nH]nc(-c3ccc(F)cc3F)c2C1 ZINC000023214104 494556325 /nfs/dbraw/zinc/55/63/25/494556325.db2.gz ZTCKQDDNJLTLCC-GOSISDBHSA-N 1 0 374.435 3.114 50 0 FGAARO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1C1CCCCC1 ZINC000023373526 494563579 /nfs/dbraw/zinc/56/35/79/494563579.db2.gz PFIXZTAGNGJIKZ-NRFANRHFSA-N 1 0 368.525 3.278 50 0 FGAARO COc1cccc(C[N@H+](C)C[C@H](O)COc2c(C)cccc2C)c1OC ZINC000023408820 494565312 /nfs/dbraw/zinc/56/53/12/494565312.db2.gz NXNGSEKSIDVRIU-SFHVURJKSA-N 1 0 359.466 3.192 50 0 FGAARO O=C(c1nc2ccccc2[nH]1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091624630 494630387 /nfs/dbraw/zinc/63/03/87/494630387.db2.gz LJQFBWYRJWCHOY-ZWKOTPCHSA-N 1 0 360.461 3.300 50 0 FGAARO Cc1ccncc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091665355 494639295 /nfs/dbraw/zinc/63/92/95/494639295.db2.gz SQNBAXCIPFHDAF-PKOBYXMFSA-N 1 0 353.441 3.266 50 0 FGAARO O=C1N(CCO)CCC[C@]12CC[N@H+](Cc1ccc(C3CCCC3)s1)C2 ZINC000091713597 494656876 /nfs/dbraw/zinc/65/68/76/494656876.db2.gz NPEUZMFZPVWLSK-HXUWFJFHSA-N 1 0 362.539 3.213 50 0 FGAARO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1C[NH+](C)C ZINC000024809907 494668491 /nfs/dbraw/zinc/66/84/91/494668491.db2.gz FQTUUFPIVSBBTJ-IBGZPJMESA-N 1 0 371.456 3.280 50 0 FGAARO O=C(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)N1CCCCC1 ZINC000075105978 494690980 /nfs/dbraw/zinc/69/09/80/494690980.db2.gz RWPYOZNVPOHTKZ-DLBZAZTESA-N 1 0 350.528 3.429 50 0 FGAARO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)C1 ZINC000067947895 494705056 /nfs/dbraw/zinc/70/50/56/494705056.db2.gz WVOIAJWGSQPUGR-OAHLLOKOSA-N 1 0 372.900 3.345 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccsc1 ZINC000025328834 494722789 /nfs/dbraw/zinc/72/27/89/494722789.db2.gz QAJCREOVIWJETR-RTBURBONSA-N 1 0 374.506 3.339 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1cc(Br)ccc1O)c1ccsc1 ZINC000025330097 494723980 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FGAARO CCOC(=O)Nc1cccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000027585929 494875314 /nfs/dbraw/zinc/87/53/14/494875314.db2.gz VQDJAMBCWYMYPI-IBGZPJMESA-N 1 0 369.465 3.158 50 0 FGAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCn3cccn3)CC2)C1 ZINC000095353475 494961419 /nfs/dbraw/zinc/96/14/19/494961419.db2.gz PEXIWILMVQYXLU-FQEVSTJZSA-N 1 0 366.509 3.001 50 0 FGAARO Cc1cc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)ccc1F ZINC000095359390 494963255 /nfs/dbraw/zinc/96/32/55/494963255.db2.gz QNDMDKIMKWLXRD-UHFFFAOYSA-N 1 0 372.488 3.302 50 0 FGAARO O=c1cc(C[NH2+]CCCN2Cc3ccccc3C2)[nH]c2c(F)cccc12 ZINC000095361243 494963659 /nfs/dbraw/zinc/96/36/59/494963659.db2.gz YDYYIFCAOHQFNM-UHFFFAOYSA-N 1 0 351.425 3.163 50 0 FGAARO O=C(c1ccc2nccnc2c1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095369664 494967077 /nfs/dbraw/zinc/96/70/77/494967077.db2.gz FRENVBDYDQSCNI-UYAOXDASSA-N 1 0 372.472 3.366 50 0 FGAARO Cc1ccc2nc(CNC(=O)C[N@@H+]3CCC[C@@H](c4ccccc4)C3)cn2c1 ZINC000095384115 494970885 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Cc1ccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)s1 ZINC000095506679 494982435 /nfs/dbraw/zinc/98/24/35/494982435.db2.gz FWUXEDMQGILALE-INIZCTEOSA-N 1 0 360.527 3.225 50 0 FGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](C)n3ccnc3C(C)C)CC2)o1 ZINC000095508556 494983086 /nfs/dbraw/zinc/98/30/86/494983086.db2.gz DOERZTUWRWTYSP-QGZVFWFLSA-N 1 0 372.513 3.497 50 0 FGAARO O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095520818 494985158 /nfs/dbraw/zinc/98/51/58/494985158.db2.gz BJNXUOJZHXIVCS-MRXNPFEDSA-N 1 0 366.465 3.117 50 0 FGAARO COc1ccc([C@@H]2C[N@H+](CCCOc3ccccc3)C[C@H]2NC(C)=O)cc1 ZINC000095522860 494986773 /nfs/dbraw/zinc/98/67/73/494986773.db2.gz UIGABDUARSKQBC-FCHUYYIVSA-N 1 0 368.477 3.068 50 0 FGAARO Cc1nn(C)c2nc(N3CCC([N@H+](C)Cc4ccccc4)CC3)sc12 ZINC000095525998 494987314 /nfs/dbraw/zinc/98/73/14/494987314.db2.gz IBDLDVCZMVJDHC-UHFFFAOYSA-N 1 0 355.511 3.439 50 0 FGAARO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCc1cccs1 ZINC000095944655 494991392 /nfs/dbraw/zinc/99/13/92/494991392.db2.gz DYSIOMJVMQQNMK-GJZGRUSLSA-N 1 0 354.516 3.295 50 0 FGAARO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCc1cccs1 ZINC000095944656 494991633 /nfs/dbraw/zinc/99/16/33/494991633.db2.gz DYSIOMJVMQQNMK-CABCVRRESA-N 1 0 354.516 3.295 50 0 FGAARO CCOc1cc2c(cc1NC(=O)CCN(C)c1cc[nH+]cc1)O[C@H](C)C2 ZINC000095997684 494993803 /nfs/dbraw/zinc/99/38/03/494993803.db2.gz ZIRXDDOICXGLHI-CQSZACIVSA-N 1 0 355.438 3.269 50 0 FGAARO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)[C@@]1(CO)CCOC1 ZINC000096007187 494995863 /nfs/dbraw/zinc/99/58/63/494995863.db2.gz JHVLOPYWUUJYAB-JOCHJYFZSA-N 1 0 363.461 3.123 50 0 FGAARO COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000096115833 495002869 /nfs/dbraw/zinc/00/28/69/495002869.db2.gz CYXMUWWIWZLKKK-QFBILLFUSA-N 1 0 368.481 3.080 50 0 FGAARO OCc1cc2ccccc2nc1N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000096133554 495003550 /nfs/dbraw/zinc/00/35/50/495003550.db2.gz ODRHBVSKVXUEMN-UHFFFAOYSA-N 1 0 373.500 3.407 50 0 FGAARO CC[C@@H](c1nc(-c2csc(C)n2)nn1C1CC[NH+](C)CC1)n1cccn1 ZINC000096132073 495003701 /nfs/dbraw/zinc/00/37/01/495003701.db2.gz YXHLPQPVSWYEKC-INIZCTEOSA-N 1 0 371.514 3.173 50 0 FGAARO CCNC(=O)c1cccc(NC(=O)NCC2([N@H+](C)CC)CCCC2)c1C ZINC000096180902 495006667 /nfs/dbraw/zinc/00/66/67/495006667.db2.gz GXVRVLCYULKXOM-UHFFFAOYSA-N 1 0 360.502 3.131 50 0 FGAARO O=C(NC[C@@H](O)c1ccccc1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000097334317 495032432 /nfs/dbraw/zinc/03/24/32/495032432.db2.gz IRGQHKGITDIZCZ-HXUWFJFHSA-N 1 0 356.441 3.275 50 0 FGAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000097425294 495034737 /nfs/dbraw/zinc/03/47/37/495034737.db2.gz GFYLQTBWOONTHZ-NRFANRHFSA-N 1 0 369.465 3.399 50 0 FGAARO Cn1c(CO)nnc1C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000097436779 495035613 /nfs/dbraw/zinc/03/56/13/495035613.db2.gz UZWOMVDQIQPJEA-UHFFFAOYSA-N 1 0 362.477 3.354 50 0 FGAARO Cc1ccccc1-c1ncc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cn1 ZINC000097468113 495035734 /nfs/dbraw/zinc/03/57/34/495035734.db2.gz LDIZCJTWMJLXKN-FQEVSTJZSA-N 1 0 366.509 3.139 50 0 FGAARO O=C(Cc1cn2ccsc2n1)NC[C@H](c1ccccc1F)[NH+]1CCCC1 ZINC000097632033 495040097 /nfs/dbraw/zinc/04/00/97/495040097.db2.gz JKXFDWFICQGHJD-QGZVFWFLSA-N 1 0 372.469 3.031 50 0 FGAARO COc1ccc(C2(CNC(=O)C[C@@H]3C[N@@H+](C(C)C)CCO3)CCCC2)cc1 ZINC000097609999 495040229 /nfs/dbraw/zinc/04/02/29/495040229.db2.gz QAKYVDBFUODONB-HXUWFJFHSA-N 1 0 374.525 3.123 50 0 FGAARO O=C(CCCc1cn[nH]c1)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000097654021 495040241 /nfs/dbraw/zinc/04/02/41/495040241.db2.gz JKLOXJQCROMNHF-HXUWFJFHSA-N 1 0 354.498 3.466 50 0 FGAARO CCc1cc(CC)c(NC(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)c(CC)c1 ZINC000097675415 495040796 /nfs/dbraw/zinc/04/07/96/495040796.db2.gz JNSNBGVWAKUKHY-PMACEKPBSA-N 1 0 373.541 3.437 50 0 FGAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)c1ccc2ncsc2c1 ZINC000097674230 495041073 /nfs/dbraw/zinc/04/10/73/495041073.db2.gz JXZYFDUDBAJEHW-UHFFFAOYSA-N 1 0 361.536 3.386 50 0 FGAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1-c1ncc[nH]1 ZINC000097717120 495043967 /nfs/dbraw/zinc/04/39/67/495043967.db2.gz ALSQUFRTOFEFIM-SFHVURJKSA-N 1 0 360.461 3.296 50 0 FGAARO O[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000102540324 495140282 /nfs/dbraw/zinc/14/02/82/495140282.db2.gz KOVYVNFNAIRKAP-IBGZPJMESA-N 1 0 354.479 3.479 50 0 FGAARO C[C@@H](NC(=O)c1ccc(Br)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000170597971 495531576 /nfs/dbraw/zinc/53/15/76/495531576.db2.gz DWSHOCHWVBEFDM-MLGOLLRUSA-N 1 0 362.271 3.265 50 0 FGAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccnc2ccncc21 ZINC000187046145 496267805 /nfs/dbraw/zinc/26/78/05/496267805.db2.gz XOMNYLHVZFDSPL-UHFFFAOYSA-N 1 0 366.490 3.333 50 0 FGAARO Cc1ccc(-n2cc(C(=O)NC[C@@H]3CCC[NH2+]3)c(-c3ccccc3)n2)cc1 ZINC000178735899 496555478 /nfs/dbraw/zinc/55/54/78/496555478.db2.gz DNKYHIOQFWJNGG-SFHVURJKSA-N 1 0 360.461 3.330 50 0 FGAARO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000269242542 496903044 /nfs/dbraw/zinc/90/30/44/496903044.db2.gz CTYQCKZYRFFNIO-CZUORRHYSA-N 1 0 374.916 3.401 50 0 FGAARO C[C@@H](O)C[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248287723 496977521 /nfs/dbraw/zinc/97/75/21/496977521.db2.gz GVRGBUNMYYITFH-CQSZACIVSA-N 1 0 356.857 3.117 50 0 FGAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000225411757 497061989 /nfs/dbraw/zinc/06/19/89/497061989.db2.gz RKEGIDYWABTJLP-VQIMIIECSA-N 1 0 370.472 3.221 50 0 FGAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230205421 497103692 /nfs/dbraw/zinc/10/36/92/497103692.db2.gz RKEGIDYWABTJLP-LPHOPBHVSA-N 1 0 370.472 3.221 50 0 FGAARO COc1cccc2c1CC[C@@H]([NH2+]C1CCC(O)(c3cccnc3)CC1)C2 ZINC000192447948 497117466 /nfs/dbraw/zinc/11/74/66/497117466.db2.gz CPRFUPQQEQWDAV-GSVIPDFHSA-N 1 0 352.478 3.368 50 0 FGAARO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000192733202 497199363 /nfs/dbraw/zinc/19/93/63/497199363.db2.gz VSXRAMTXCREZEM-GOSISDBHSA-N 1 0 362.495 3.275 50 0 FGAARO CC[NH+](CC)CCc1ccc(NC(=O)NCc2ccnc(N(C)C)c2)cc1 ZINC000252493981 497306295 /nfs/dbraw/zinc/30/62/95/497306295.db2.gz NHYXUALPPQRXRS-UHFFFAOYSA-N 1 0 369.513 3.354 50 0 FGAARO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000252506035 497308450 /nfs/dbraw/zinc/30/84/50/497308450.db2.gz VXBCZTBYJNCCRM-CQSZACIVSA-N 1 0 363.893 3.064 50 0 FGAARO Cc1nc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2nc1C ZINC000252537063 497310454 /nfs/dbraw/zinc/31/04/54/497310454.db2.gz KFHAFRLKRMLNCZ-PXNSSMCTSA-N 1 0 352.482 3.241 50 0 FGAARO C[C@H](NC(=O)CN1CCCC[C@@H]1c1ccnn1C)c1ccccc1Cl ZINC000252536419 497310663 /nfs/dbraw/zinc/31/06/63/497310663.db2.gz IMZVZPPKXHYMMZ-KBXCAEBGSA-N 1 0 360.889 3.478 50 0 FGAARO CC(C)CC[NH+]1CCC(CNC(=O)Cn2cc(C=O)c3ccccc32)CC1 ZINC000242273480 497353669 /nfs/dbraw/zinc/35/36/69/497353669.db2.gz YDAHYOLCGQNJJJ-UHFFFAOYSA-N 1 0 369.509 3.328 50 0 FGAARO COc1ccccc1OCCC[NH+]1CCC([C@@H](O)c2ccccn2)CC1 ZINC000243914671 497361907 /nfs/dbraw/zinc/36/19/07/497361907.db2.gz BJFZLWNQEBFVDS-OAQYLSRUSA-N 1 0 356.466 3.305 50 0 FGAARO Cc1ccc(C)c([C@H](C)NC(=O)CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000244690921 497367887 /nfs/dbraw/zinc/36/78/87/497367887.db2.gz IZKMJUOHPJSCCO-IBGZPJMESA-N 1 0 357.542 3.431 50 0 FGAARO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(c2n[nH]cc2C)CC1 ZINC000244724082 497368637 /nfs/dbraw/zinc/36/86/37/497368637.db2.gz MNEPVZJNWLJATI-SFHVURJKSA-N 1 0 356.470 3.323 50 0 FGAARO CO[C@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)c1ccccc1 ZINC000244796201 497372043 /nfs/dbraw/zinc/37/20/43/497372043.db2.gz RUXSJLIFGOPRDM-FQEVSTJZSA-N 1 0 352.478 3.154 50 0 FGAARO CN(Cc1cc(C(N)=O)oc1C(C)(C)C)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000244866508 497372163 /nfs/dbraw/zinc/37/21/63/497372163.db2.gz VXKXYRPFZYXABI-GOSISDBHSA-N 1 0 369.509 3.165 50 0 FGAARO O=C(Cc1ccc(F)cc1)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000245170804 497374241 /nfs/dbraw/zinc/37/42/41/497374241.db2.gz XGZJDQVNJTYREQ-UHFFFAOYSA-N 1 0 350.503 3.092 50 0 FGAARO CCn1ncc(C[N@@H+]2CCCCCNC(=O)C[C@H]2c2ccccc2)c1C ZINC000257184974 497385699 /nfs/dbraw/zinc/38/56/99/497385699.db2.gz VROBWRKMJLWLQZ-FQEVSTJZSA-N 1 0 354.498 3.445 50 0 FGAARO O=C(CC1CCCC1)N1CC[C@@H]2COCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000257196708 497389262 /nfs/dbraw/zinc/38/92/62/497389262.db2.gz YSKLINRTULVZJI-NHCUHLMSSA-N 1 0 356.510 3.316 50 0 FGAARO C[NH+](C)CCNCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261491987 497414801 /nfs/dbraw/zinc/41/48/01/497414801.db2.gz OCVDUUDXLMBUIE-UHFFFAOYSA-N 1 0 369.900 3.298 50 0 FGAARO C[NH+]=c1cc2ccn(C)c(Cc3ccc(OC)c(OC)c3)c-2cc1OC ZINC000334157048 497884356 /nfs/dbraw/zinc/88/43/56/497884356.db2.gz CYQSNODKYIVBEA-UHFFFAOYSA-N 1 0 352.434 3.277 50 0 FGAARO O=C(Cc1cccc(C(F)(F)F)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000299759373 497913709 /nfs/dbraw/zinc/91/37/09/497913709.db2.gz RIEYNEJFSIYTKR-KRWDZBQOSA-N 1 0 370.415 3.008 50 0 FGAARO CO[C@]12CC[N@H+](Cc3scnc3C)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000299759981 497914654 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Cc1ccc([C@H](NC(=O)CCCN2CCOCC2)c2cccnc2)c(C)c1 ZINC000299784777 497922272 /nfs/dbraw/zinc/92/22/72/497922272.db2.gz PNSSNDPOECQHMI-JOCHJYFZSA-N 1 0 367.493 3.016 50 0 FGAARO Cn1cc(CCc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cn1 ZINC000299786476 497922914 /nfs/dbraw/zinc/92/29/14/497922914.db2.gz MACMHOGBHBMPQP-OTWHNJEPSA-N 1 0 363.465 3.281 50 0 FGAARO Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299793298 497925299 /nfs/dbraw/zinc/92/52/99/497925299.db2.gz IBYNBAPBAAETDH-TYPHKJRUSA-N 1 0 366.509 3.221 50 0 FGAARO CSCC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)n1cccc1 ZINC000575443381 505976797 /nfs/dbraw/zinc/97/67/97/505976797.db2.gz RZSRUQUTPWXICE-IBGZPJMESA-N 1 0 372.538 3.173 50 0 FGAARO CC(C)c1scnc1-c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000289883610 498336369 /nfs/dbraw/zinc/33/63/69/498336369.db2.gz RGCMDOZGDIEHQI-UHFFFAOYSA-N 1 0 370.482 3.130 50 0 FGAARO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1ccc(-n2cnnc2)cc1 ZINC000333035850 498877910 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c1coc(CN2CCC([NH2+][C@@H](Cn3ccnc3)c3ccccc3)CC2)c1 ZINC000584892223 507558926 /nfs/dbraw/zinc/55/89/26/507558926.db2.gz YKAKZERYZSNGOF-NRFANRHFSA-N 1 0 350.466 3.472 50 0 FGAARO Nc1n[nH]c2ccc(-c3ccc(C(=O)NCCC[NH+]4CCCC4)cc3)cc12 ZINC000534666960 517992490 /nfs/dbraw/zinc/99/24/90/517992490.db2.gz QCBGEMQWEWXVTH-UHFFFAOYSA-N 1 0 363.465 3.028 50 0 FGAARO CC(=O)c1cn(CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc12 ZINC000079191582 518480631 /nfs/dbraw/zinc/48/06/31/518480631.db2.gz XSWSHOWADSRZCP-FXAWDEMLSA-N 1 0 367.493 3.225 50 0 FGAARO CC(C)CC(=O)Nc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000239762194 519605726 /nfs/dbraw/zinc/60/57/26/519605726.db2.gz CLGWSEZAZJAJQY-CRAIPNDOSA-N 1 0 360.502 3.475 50 0 FGAARO CC1(C)CC(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC(C)(C)[NH2+]1 ZINC000020615773 520285744 /nfs/dbraw/zinc/28/57/44/520285744.db2.gz AIVOJICQIYYLRC-UHFFFAOYSA-N 1 0 364.877 3.217 50 0 FGAARO CC1=C(c2ccccc2)[C@H]1C(=O)NCc1cc2n(n1)CC[N@@H+](CC(C)C)C2 ZINC000082161085 520842884 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COc1cccc2c1OCC(C[NH2+][C@H]1CCCN(Cc3ccccn3)C1)=C2 ZINC000020776071 524234306 /nfs/dbraw/zinc/23/43/06/524234306.db2.gz BHFHXLAAMQURLO-FQEVSTJZSA-N 1 0 365.477 3.120 50 0 FGAARO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000020806360 525435228 /nfs/dbraw/zinc/43/52/28/525435228.db2.gz IMHRESWHJLEJND-HXUWFJFHSA-N 1 0 358.457 3.004 50 0 FGAARO C[C@@H]([NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000019872228 525529281 /nfs/dbraw/zinc/52/92/81/525529281.db2.gz ITSAROUZJOZUKJ-IIBYNOLFSA-N 1 0 370.493 3.192 50 0 FGAARO Cc1nc(C(C)C)sc1CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000299799584 534878137 /nfs/dbraw/zinc/87/81/37/534878137.db2.gz SMBCMYVPSDDVTC-OAHLLOKOSA-N 1 0 356.495 3.242 50 0 FGAARO O=C(NCCCn1ccnc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020051330 526291503 /nfs/dbraw/zinc/29/15/03/526291503.db2.gz BKWMIDBXKMAPAA-UHFFFAOYSA-N 1 0 374.488 3.262 50 0 FGAARO O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000091663675 526393231 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CN1CC[C@]2(CN(c3ccnc4ccc(Cl)cc43)CC[N@@H+]2C)CCC1=O ZINC000095380971 536424504 /nfs/dbraw/zinc/42/45/04/536424504.db2.gz PNZSWOQYOSARHY-FQEVSTJZSA-N 1 0 372.900 3.021 50 0 FGAARO C[C@H](CNC(=O)/C=C/c1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000046593159 570603261 /nfs/dbraw/zinc/60/32/61/570603261.db2.gz XETZFSZZPCIHKD-ZPHJMFTNSA-N 1 0 367.468 3.166 50 0 FGAARO Cc1nc(NCC2([NH+]3CCCCC3)CCCCC2)cc([C@@H]2CCOC2)n1 ZINC000426374431 571216805 /nfs/dbraw/zinc/21/68/05/571216805.db2.gz UQPJYWZYBZBPQJ-GOSISDBHSA-N 1 0 358.530 3.312 50 0 FGAARO Cc1nc2cc(CC(=O)N3CC[C@@]4(C3)CCC[N@H+](CC3CC3)C4)ccc2[nH]1 ZINC000426389690 571218816 /nfs/dbraw/zinc/21/88/16/571218816.db2.gz NRGCROUXJFUAKP-QFIPXVFZSA-N 1 0 366.509 3.138 50 0 FGAARO Cc1nnc([C@H]2CCCN2C(=O)CC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000426405069 571220652 /nfs/dbraw/zinc/22/06/52/571220652.db2.gz AYLBAWGKJOILSD-LJQANCHMSA-N 1 0 367.497 3.079 50 0 FGAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)NCc2cc(C3CC3)n[nH]2)cc1 ZINC000426431677 571224853 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Cc1ccsc1[C@@H](CNC(=O)CCn1cnc2ccccc21)[NH+](C)C ZINC000952976468 762538823 /nfs/dbraw/zinc/53/88/23/762538823.db2.gz MMCWBMKDGQVGTE-QGZVFWFLSA-N 1 0 356.495 3.215 50 0 FGAARO Cc1sc2[nH]c(CC[NH2+]Cc3cc(C(C)(C)C)n[nH]3)nc(=O)c2c1C ZINC000952991197 762540726 /nfs/dbraw/zinc/54/07/26/762540726.db2.gz PTZYJNOBEJLKIV-UHFFFAOYSA-N 1 0 359.499 3.367 50 0 FGAARO CCCOc1ccc(NC(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)cc1Cl ZINC000952964631 762536340 /nfs/dbraw/zinc/53/63/40/762536340.db2.gz MUZYEECVGAJZOS-OAHLLOKOSA-N 1 0 367.921 3.483 50 0 FGAARO COc1ccc(CC[NH2+]Cc2ccc(OC)c(OC)c2OC)cc1OC ZINC000002475578 204040776 /nfs/dbraw/zinc/04/07/76/204040776.db2.gz WZQURMDGKRWUNN-UHFFFAOYSA-N 1 0 361.438 3.062 50 0 FGAARO O=C([C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCCC1 ZINC000001503164 204010680 /nfs/dbraw/zinc/01/06/80/204010680.db2.gz MMZZBLAPJHEYLQ-NRFANRHFSA-N 1 0 369.553 3.028 50 0 FGAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c2cc(C)ccc2n(C)c1C(=O)OC ZINC000002324615 204034495 /nfs/dbraw/zinc/03/44/95/204034495.db2.gz ZJDHSTLMJGDCDR-OAHLLOKOSA-N 1 0 371.481 3.476 50 0 FGAARO COc1ccc(OC)c([N+]2=C3CCCCCN3[C@@](O)(c3ccccc3)C2)c1 ZINC000002974536 204071610 /nfs/dbraw/zinc/07/16/10/204071610.db2.gz VLPZOKHYHSCLKQ-QFIPXVFZSA-N 1 0 367.469 3.354 50 0 FGAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000002828190 204061397 /nfs/dbraw/zinc/06/13/97/204061397.db2.gz IWLSSOBQUXQYCC-UHFFFAOYSA-N 1 0 356.441 3.363 50 0 FGAARO C[C@@H](CNC(=O)COc1cc(Cl)c(Cl)cc1Cl)C[NH+](C)C ZINC000002849687 204062552 /nfs/dbraw/zinc/06/25/52/204062552.db2.gz NUDGNKALKBCKSQ-VIFPVBQESA-N 1 0 353.677 3.340 50 0 FGAARO COc1ccc([C@@H](CNC(=O)c2cccc(N(C)C)c2)[NH+]2CCCC2)cc1 ZINC000003454000 204101514 /nfs/dbraw/zinc/10/15/14/204101514.db2.gz OQPSNLAJBJZJMY-OAQYLSRUSA-N 1 0 367.493 3.328 50 0 FGAARO C[NH+](C)CCCn1c2ccccc2nc1NCc1ccc2c(c1)OCO2 ZINC000004741697 204160611 /nfs/dbraw/zinc/16/06/11/204160611.db2.gz LJBADYQSGXSBGN-UHFFFAOYSA-N 1 0 352.438 3.329 50 0 FGAARO O[C@H](CN1c2ccccc2N2CC[NH+]=C12)c1ccc(Br)cc1 ZINC000005594037 204217655 /nfs/dbraw/zinc/21/76/55/204217655.db2.gz OKYHNGDIQZEBJE-MRXNPFEDSA-N 1 0 358.239 3.179 50 0 FGAARO Cc1ccccc1C(=O)c1cccn1CC(=O)NCCC[NH+]1CCCCC1 ZINC000005143116 204193939 /nfs/dbraw/zinc/19/39/39/204193939.db2.gz GATQCUHLNZGVGH-UHFFFAOYSA-N 1 0 367.493 3.020 50 0 FGAARO NC(=O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000007458880 204297666 /nfs/dbraw/zinc/29/76/66/204297666.db2.gz QSHMYPOKVKYSTF-UHFFFAOYSA-N 1 0 360.461 3.237 50 0 FGAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000010050364 204390083 /nfs/dbraw/zinc/39/00/83/204390083.db2.gz VQIQZFNAIFRXIC-HXUWFJFHSA-N 1 0 353.466 3.458 50 0 FGAARO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)cc1OC ZINC000010339729 204394798 /nfs/dbraw/zinc/39/47/98/204394798.db2.gz DEYXXNRVMUWHNE-SFHVURJKSA-N 1 0 354.450 3.157 50 0 FGAARO Cc1cccc(C)c1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010450788 204396538 /nfs/dbraw/zinc/39/65/38/204396538.db2.gz SRMRWRIGGPEUJS-UHFFFAOYSA-N 1 0 352.478 3.463 50 0 FGAARO Cc1ccc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000010450878 204396952 /nfs/dbraw/zinc/39/69/52/204396952.db2.gz MBFRADCVOPBXEU-UHFFFAOYSA-N 1 0 352.478 3.463 50 0 FGAARO CC(C)C[NH+]1CCC([C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000012022381 204426105 /nfs/dbraw/zinc/42/61/05/204426105.db2.gz DKUYBRVXVZBVLU-FQEVSTJZSA-N 1 0 364.555 3.206 50 0 FGAARO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000012747520 204489968 /nfs/dbraw/zinc/48/99/68/204489968.db2.gz DFEYDOYVMWGFMF-ZWKOTPCHSA-N 1 0 367.493 3.440 50 0 FGAARO COCc1ccc(C(=O)N(CCc2ccccc2)CC2CC[NH+](C)CC2)o1 ZINC000012745725 204490427 /nfs/dbraw/zinc/49/04/27/204490427.db2.gz OAHDRLQRNIGAJI-UHFFFAOYSA-N 1 0 370.493 3.453 50 0 FGAARO COc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000017911397 204657414 /nfs/dbraw/zinc/65/74/14/204657414.db2.gz AQFYHBQYPVAGQX-FQEVSTJZSA-N 1 0 372.440 3.166 50 0 FGAARO COc1ccc2c(c1)C=C(C[NH2+][C@@H]1CCCN(Cc3ccccn3)C1)CO2 ZINC000022851440 204788852 /nfs/dbraw/zinc/78/88/52/204788852.db2.gz WWYVRCDLOZDNPT-HXUWFJFHSA-N 1 0 365.477 3.120 50 0 FGAARO COc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2)C(C)C)cc1OC ZINC000036095784 205004082 /nfs/dbraw/zinc/00/40/82/205004082.db2.gz VBLLTWAQJMOTFX-GOSISDBHSA-N 1 0 359.466 3.354 50 0 FGAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000036102186 205005229 /nfs/dbraw/zinc/00/52/29/205005229.db2.gz RYPYNDKLCFPXKY-HXUWFJFHSA-N 1 0 371.477 3.402 50 0 FGAARO CCC[NH+](CCC)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000036744647 205020860 /nfs/dbraw/zinc/02/08/60/205020860.db2.gz CAHACJDAZGCDHE-OAHLLOKOSA-N 1 0 371.403 3.415 50 0 FGAARO COc1ccccc1[C@H](C[NH2+]Cc1cc2c(c(Cl)c1)OCO2)N(C)C ZINC000039976536 205047374 /nfs/dbraw/zinc/04/73/74/205047374.db2.gz ZJGJRGVJKPDQHM-INIZCTEOSA-N 1 0 362.857 3.470 50 0 FGAARO CC(C)(C)[NH2+]C[C@@H](O)c1cc(Br)c(N)c(Br)c1 ZINC000039932966 205047550 /nfs/dbraw/zinc/04/75/50/205047550.db2.gz PLFUBWPEUSILSL-SNVBAGLBSA-N 1 0 366.097 3.215 50 0 in-vitro FGAARO C[NH+](C)C1(CNC(=O)Nc2ccccc2N2CCCC2=O)CCCCC1 ZINC000040104208 205054028 /nfs/dbraw/zinc/05/40/28/205054028.db2.gz XPDISPKWZMEZSY-UHFFFAOYSA-N 1 0 358.486 3.199 50 0 FGAARO CC1(C)Cc2c(sc3[nH]c(C[NH2+]Cc4ccccc4)nc(=O)c23)CO1 ZINC000040267925 205064135 /nfs/dbraw/zinc/06/41/35/205064135.db2.gz CJIRWXYMJOVCAW-UHFFFAOYSA-N 1 0 355.463 3.126 50 0 FGAARO CC1(C)CC(NC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC(C)(C)[NH2+]1 ZINC000043875160 205105669 /nfs/dbraw/zinc/10/56/69/205105669.db2.gz RQHKWNWHCIMLOG-UHFFFAOYSA-N 1 0 358.486 3.010 50 0 FGAARO COc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000047306853 205144731 /nfs/dbraw/zinc/14/47/31/205144731.db2.gz KAONUVDDJMKBTI-UHFFFAOYSA-N 1 0 368.477 3.102 50 0 FGAARO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC(N)=O)c2ccccc2)c1 ZINC000048303199 205157252 /nfs/dbraw/zinc/15/72/52/205157252.db2.gz RIMSKGBHNVSVFE-HXUWFJFHSA-N 1 0 365.477 3.041 50 0 FGAARO COc1ccc(OCC[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000049581014 205174997 /nfs/dbraw/zinc/17/49/97/205174997.db2.gz WUDGCAFEJIVSRM-LSDHHAIUSA-N 1 0 360.429 3.069 50 0 FGAARO COc1ccccc1[C@H](CNC(=O)c1[nH]nc2ccccc21)[NH+]1CCCC1 ZINC000057386622 205239260 /nfs/dbraw/zinc/23/92/60/205239260.db2.gz SOWGJPMYRJNRGN-SFHVURJKSA-N 1 0 364.449 3.138 50 0 FGAARO C[C@H]1C[C@H]1c1ccc(CNCc2ccc(N3CCC[N@H+](C)CC3)nc2)o1 ZINC000058108260 205249446 /nfs/dbraw/zinc/24/94/46/205249446.db2.gz HWQDOMGGHQSOTL-QFBILLFUSA-N 1 0 354.498 3.230 50 0 FGAARO Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CC[NH+](C)CC4)cc3)cc2c1 ZINC000058095610 205249616 /nfs/dbraw/zinc/24/96/16/205249616.db2.gz NCRANUIVYSQNRC-UHFFFAOYSA-N 1 0 362.477 3.200 50 0 FGAARO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000058193554 205257580 /nfs/dbraw/zinc/25/75/80/205257580.db2.gz OCCFWHCRWVKIFQ-HNNXBMFYSA-N 1 0 374.506 3.407 50 0 FGAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000059818105 205283505 /nfs/dbraw/zinc/28/35/05/205283505.db2.gz ACHIICLEPWZRMF-RDTXWAMCSA-N 1 0 352.434 3.087 50 0 FGAARO C[C@H]1CCCN(C(=O)c2nn(CC[NH+]3CCCCC3)c3ccccc32)C1 ZINC000064761067 205304106 /nfs/dbraw/zinc/30/41/06/205304106.db2.gz VBVLPKGRINGHAM-KRWDZBQOSA-N 1 0 354.498 3.394 50 0 FGAARO C[NH+](C)CCn1nnc2cc(C(=O)Nc3ccc(Cl)cc3F)ccc21 ZINC000065255156 205331323 /nfs/dbraw/zinc/33/13/23/205331323.db2.gz OVMBAAJVCCHXDI-UHFFFAOYSA-N 1 0 361.808 3.038 50 0 FGAARO CCCCN(C)C(=O)C1CC[NH+](CCc2cn(C)c3ncccc23)CC1 ZINC000065164911 205320822 /nfs/dbraw/zinc/32/08/22/205320822.db2.gz OFTCRSTWSDFKBN-UHFFFAOYSA-N 1 0 356.514 3.086 50 0 FGAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1[C@@H]1CC(=O)Nc2ccc(F)cc21 ZINC000065454996 205351947 /nfs/dbraw/zinc/35/19/47/205351947.db2.gz YNJFNPMXXUKVBU-OAHLLOKOSA-N 1 0 363.396 3.461 50 0 FGAARO Cc1cccnc1[C@@H](C)NC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065454688 205352776 /nfs/dbraw/zinc/35/27/76/205352776.db2.gz TVLFLNRJZKAYGU-OAHLLOKOSA-N 1 0 373.884 3.422 50 0 FGAARO Cc1ccc(F)cc1NC(=O)[C@@H](C)NC(=O)CC1CC[NH+](C(C)C)CC1 ZINC000065467345 205354274 /nfs/dbraw/zinc/35/42/74/205354274.db2.gz WIBOIWCDABBGDO-OAHLLOKOSA-N 1 0 363.477 3.088 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@@H]3c3ccco3)cnn2c1 ZINC000067489536 205373885 /nfs/dbraw/zinc/37/38/85/205373885.db2.gz IVLBOJNGYDXWMO-QGZVFWFLSA-N 1 0 367.453 3.141 50 0 FGAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2ccccc2-n2cccn2)n1 ZINC000067654175 205380216 /nfs/dbraw/zinc/38/02/16/205380216.db2.gz WFTYCGXSQJELHF-KRWDZBQOSA-N 1 0 362.481 3.074 50 0 FGAARO Cc1ccc2[nH]c(C[N@H+](C)C[C@@H]3CC(=O)N(C4CCCC4)C3)nc2c1C ZINC000067821855 205394182 /nfs/dbraw/zinc/39/41/82/205394182.db2.gz ZYCWGOUCXDVYRH-INIZCTEOSA-N 1 0 354.498 3.403 50 0 FGAARO CCCc1cc(NCC2([NH+]3CCN(C)CC3)CCCCC2)n2nccc2n1 ZINC000072162707 205492886 /nfs/dbraw/zinc/49/28/86/205492886.db2.gz JYJYSCAYRLZCPY-UHFFFAOYSA-N 1 0 370.545 3.044 50 0 FGAARO Cc1nc2c(cnn2C)c(NCC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000072154163 205487854 /nfs/dbraw/zinc/48/78/54/205487854.db2.gz KLPNGSGPVYZXBU-UHFFFAOYSA-N 1 0 364.497 3.038 50 0 FGAARO Cn1ncc(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1C1CC1 ZINC000072475662 205560476 /nfs/dbraw/zinc/56/04/76/205560476.db2.gz BELVODFKCQMCPS-UHFFFAOYSA-N 1 0 354.542 3.384 50 0 FGAARO COc1c(C)cnc(C[NH+]2CCC3(CC(=O)N(CC(C)C)C3)CC2)c1C ZINC000095378366 205744192 /nfs/dbraw/zinc/74/41/92/205744192.db2.gz SJACXCCJXKCJMQ-UHFFFAOYSA-N 1 0 359.514 3.178 50 0 FGAARO Cc1nn(C(F)F)c(C)c1CC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000095452172 205757998 /nfs/dbraw/zinc/75/79/98/205757998.db2.gz OSKWVXQZJBDIQZ-UHFFFAOYSA-N 1 0 356.461 3.018 50 0 FGAARO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)CCc2ccccc2)c(C)s1 ZINC000095972157 205800017 /nfs/dbraw/zinc/80/00/17/205800017.db2.gz KHNZIOCSKYLFAR-CQSZACIVSA-N 1 0 366.552 3.254 50 0 FGAARO OC1CC[NH+](C2CCN(Cc3ccc(C(F)(F)F)cc3F)CC2)CC1 ZINC000097468275 205908446 /nfs/dbraw/zinc/90/84/46/205908446.db2.gz BXQDTQNMSLQTMG-UHFFFAOYSA-N 1 0 360.395 3.266 50 0 FGAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000107498650 206019178 /nfs/dbraw/zinc/01/91/78/206019178.db2.gz JGMBCUJRXHYNIH-RDTXWAMCSA-N 1 0 353.470 3.190 50 0 FGAARO Fc1cc(CC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)c2c(c1)COCO2 ZINC000136046424 206128986 /nfs/dbraw/zinc/12/89/86/206128986.db2.gz UMQAFCMHHWOXLQ-UHFFFAOYSA-N 1 0 353.397 3.415 50 0 FGAARO C[NH+](C)CCN(C(=O)COc1ccccc1)c1nc2c(cccc2F)s1 ZINC000004359297 206174758 /nfs/dbraw/zinc/17/47/58/206174758.db2.gz PMMATKLUHOJNDT-UHFFFAOYSA-N 1 0 373.453 3.409 50 0 FGAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1OCc1cccnc1 ZINC000152304050 206183519 /nfs/dbraw/zinc/18/35/19/206183519.db2.gz LONIBTLKBBFRED-RBUKOAKNSA-N 1 0 356.466 3.310 50 0 FGAARO C[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004844404 206181265 /nfs/dbraw/zinc/18/12/65/206181265.db2.gz QQYOXVUMLCTAPV-DFLMZXFUSA-N 1 0 370.493 3.021 50 0 FGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(F)c(Br)c2)N1 ZINC000007127440 206204792 /nfs/dbraw/zinc/20/47/92/206204792.db2.gz LEBUIMFAOLUGEW-CYBMUJFWSA-N 1 0 360.190 3.034 50 0 FGAARO C[NH+](C)Cc1ccccc1CNS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000052794502 206221687 /nfs/dbraw/zinc/22/16/87/206221687.db2.gz HTZKRHRDIYKOOD-UHFFFAOYSA-N 1 0 356.491 3.155 50 0 FGAARO O=C(CC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1)Nc1ccc(F)cc1 ZINC000155756624 206221998 /nfs/dbraw/zinc/22/19/98/206221998.db2.gz AHOBGISGRSHHHA-OAHLLOKOSA-N 1 0 367.428 3.077 50 0 FGAARO CCN(C(=O)Cc1c(C)nn(C)c1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106132411 206232975 /nfs/dbraw/zinc/23/29/75/206232975.db2.gz YKHVQKWUTLBUFR-XLIONFOSSA-N 1 0 368.525 3.263 50 0 FGAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000169751656 206255875 /nfs/dbraw/zinc/25/58/75/206255875.db2.gz VHACYXVPKICTHS-UHFFFAOYSA-N 1 0 352.438 3.167 50 0 FGAARO COc1ccccc1-c1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]n1 ZINC000170613843 206274091 /nfs/dbraw/zinc/27/40/91/206274091.db2.gz JTRMUYIHCNZMGK-KXBFYZLASA-N 1 0 368.481 3.080 50 0 FGAARO [NH3+]C1(CNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CCCCC1 ZINC000170676145 206280479 /nfs/dbraw/zinc/28/04/79/206280479.db2.gz MYLWWLMCXTWABY-UHFFFAOYSA-N 1 0 368.359 3.147 50 0 FGAARO Cn1cccc1[C@@H](CNC(=O)COc1ccccc1F)[NH+]1CCCCCC1 ZINC000011846388 206286419 /nfs/dbraw/zinc/28/64/19/206286419.db2.gz JFHQPZWJJPULCJ-LJQANCHMSA-N 1 0 373.472 3.277 50 0 FGAARO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(F)cc1 ZINC000015361978 206315685 /nfs/dbraw/zinc/31/56/85/206315685.db2.gz XALHPGNYWFUTGG-UHFFFAOYSA-N 1 0 350.459 3.146 50 0 FGAARO COc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000019558121 206325972 /nfs/dbraw/zinc/32/59/72/206325972.db2.gz NBHGGYKNHYVBPJ-IBGZPJMESA-N 1 0 366.461 3.010 50 0 FGAARO C[C@@H]1CCC[C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3C(=O)NC3CC3)[C@@H]12 ZINC000195529599 206332040 /nfs/dbraw/zinc/33/20/40/206332040.db2.gz INTKUTDZBCLARK-ZOCZFRKYSA-N 1 0 369.509 3.418 50 0 FGAARO COc1ccccc1-n1cc(C[NH+]2CCC(Cc3noc(C)n3)CC2)cn1 ZINC000215011892 206343646 /nfs/dbraw/zinc/34/36/46/206343646.db2.gz MSRPMFGDVZSUMK-UHFFFAOYSA-N 1 0 367.453 3.027 50 0 FGAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000215342236 206345793 /nfs/dbraw/zinc/34/57/93/206345793.db2.gz NWXOJXXIBHPMQG-MRXNPFEDSA-N 1 0 351.454 3.198 50 0 FGAARO CC[N@@H+](Cc1ccc(Cn2cccn2)cc1)C[C@H](O)c1cccc(O)c1 ZINC000215307216 206346367 /nfs/dbraw/zinc/34/63/67/206346367.db2.gz HIRQPLUJEPZZGZ-NRFANRHFSA-N 1 0 351.450 3.193 50 0 FGAARO Cc1cc2cc(C(=O)NCC3([NH+]4CCN(C)CC4)CCCC3)ccc2o1 ZINC000215440213 206347745 /nfs/dbraw/zinc/34/77/45/206347745.db2.gz MVDSZRJTLOIBBR-UHFFFAOYSA-N 1 0 355.482 3.031 50 0 FGAARO C[NH+](C)CCOC1CCN(C(=O)[C@@]2(c3ccc(F)cc3)CC2(C)C)CC1 ZINC000216134865 206356001 /nfs/dbraw/zinc/35/60/01/206356001.db2.gz RRFXEOUOSNZCMM-NRFANRHFSA-N 1 0 362.489 3.063 50 0 FGAARO CC(C)[NH+]1CCC(N2CCCn3nc([C@H](O)c4ccccc4)cc3C2)CC1 ZINC000219352317 206383407 /nfs/dbraw/zinc/38/34/07/206383407.db2.gz NDWGNGFMNZJRFN-JOCHJYFZSA-N 1 0 368.525 3.043 50 0 FGAARO CC(C)[NH+]1CCC(N2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)CC1 ZINC000219352246 206384732 /nfs/dbraw/zinc/38/47/32/206384732.db2.gz NDWGNGFMNZJRFN-QFIPXVFZSA-N 1 0 368.525 3.043 50 0 FGAARO COc1ccc(/C=C/C[N@@H+]2CCCn3nc([C@@H](O)C4CC4)cc3C2)cc1 ZINC000219700601 206388507 /nfs/dbraw/zinc/38/85/07/206388507.db2.gz CRDGYWCCXMQOBR-XAFBZQIESA-N 1 0 353.466 3.254 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(N2CCCC2)cc1 ZINC000219990752 206394869 /nfs/dbraw/zinc/39/48/69/206394869.db2.gz CAXLSHBSBCIUKG-UHFFFAOYSA-N 1 0 364.493 3.076 50 0 FGAARO O=S(=O)(NCC1CC[NH+](C2CCCC2)CC1)c1ccc(F)c(Cl)c1 ZINC000023127595 206402428 /nfs/dbraw/zinc/40/24/28/206402428.db2.gz AUEXGHRKFSHRAM-UHFFFAOYSA-N 1 0 374.909 3.412 50 0 FGAARO O=C(NCCCOCC1CCOCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000225409342 206479182 /nfs/dbraw/zinc/47/91/82/206479182.db2.gz ZBXVQLDOHHAOSQ-UHFFFAOYSA-N 1 0 374.525 3.236 50 0 FGAARO CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NCc1ccccc1C[NH+](C)C ZINC000022276540 220381092 /nfs/dbraw/zinc/38/10/92/220381092.db2.gz YLSKFNYBJRMDQJ-HXUWFJFHSA-N 1 0 373.541 3.086 50 0 FGAARO Cc1ccc(CNC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)s1 ZINC000095360020 132207918 /nfs/dbraw/zinc/20/79/18/132207918.db2.gz PPXNTZYQJYVXQB-UHFFFAOYSA-N 1 0 357.523 3.193 50 0 FGAARO OCC[C@H]1CN(c2nccc(C3CCCC3)n2)CC[N@@H+]1C1CCCCC1 ZINC000106996671 132240516 /nfs/dbraw/zinc/24/05/16/132240516.db2.gz BKSHISLDPPKTHN-IBGZPJMESA-N 1 0 358.530 3.340 50 0 FGAARO Cc1ccccc1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000004792217 132255218 /nfs/dbraw/zinc/25/52/18/132255218.db2.gz QMXVXHWDNLJCMG-UHFFFAOYSA-N 1 0 352.482 3.329 50 0 FGAARO CCO[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)C12CCOCC2 ZINC000170082839 132264267 /nfs/dbraw/zinc/26/42/67/132264267.db2.gz ZBVQHYAAUVDESW-OALUTQOASA-N 1 0 359.514 3.136 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000004072865 132386335 /nfs/dbraw/zinc/38/63/35/132386335.db2.gz GCZARKAOYINDIQ-UHFFFAOYSA-N 1 0 364.371 3.105 50 0 FGAARO CCC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000012777457 132862982 /nfs/dbraw/zinc/86/29/82/132862982.db2.gz 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CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]C(C)(C)C)C[C@@H](C)CC2 ZINC000000759395 493771141 /nfs/dbraw/zinc/77/11/41/493771141.db2.gz SYWSJPRISJBTSK-NSHDSACASA-N 1 0 352.500 3.376 50 0 FGAARO CCOc1cc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)ccc1O ZINC000000778759 493771234 /nfs/dbraw/zinc/77/12/34/493771234.db2.gz IWCMMNAPVTYAKJ-UHFFFAOYSA-N 1 0 360.498 3.261 50 0 FGAARO Cc1cc(C(F)(F)F)nn1CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000028234306 493781074 /nfs/dbraw/zinc/78/10/74/493781074.db2.gz MHSXVHAOYJMMGL-UHFFFAOYSA-N 1 0 360.424 3.026 50 0 FGAARO COc1ccc(CC[N@H+](C)CCC(=O)Nc2ccc(F)cc2)cc1OC ZINC000001176414 493787790 /nfs/dbraw/zinc/78/77/90/493787790.db2.gz VNVJOFNEKLTAFX-UHFFFAOYSA-N 1 0 360.429 3.346 50 0 FGAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)[C@@H]1CCCO1 ZINC000028732443 493799800 /nfs/dbraw/zinc/79/98/00/493799800.db2.gz KHSKBIJGFVEVAF-NRFANRHFSA-N 1 0 365.477 3.126 50 0 FGAARO CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1C ZINC000029177644 493823623 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CC(=O)c1c(C)nn([C@H](C)CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1C ZINC000077453536 494085900 /nfs/dbraw/zinc/08/59/00/494085900.db2.gz SKQBVDRQYDDKCK-OAHLLOKOSA-N 1 0 374.529 3.131 50 0 FGAARO COc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c(OC)c1 ZINC000071405860 494091956 /nfs/dbraw/zinc/09/19/56/494091956.db2.gz ZJGQIJHFZWRUET-IBGZPJMESA-N 1 0 360.498 3.286 50 0 FGAARO CC(=O)c1[nH]c(C)c(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c1C ZINC000071748634 494096979 /nfs/dbraw/zinc/09/69/79/494096979.db2.gz RVBHTEUEUNMKHL-SFHVURJKSA-N 1 0 359.514 3.417 50 0 FGAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071730599 494097112 /nfs/dbraw/zinc/09/71/12/494097112.db2.gz IPKHPJIMUHTGIJ-OAQYLSRUSA-N 1 0 366.509 3.407 50 0 FGAARO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1nc(-c2ccsc2)oc1C ZINC000084789068 494098073 /nfs/dbraw/zinc/09/80/73/494098073.db2.gz MGMBXIOZNPUSSS-CVEARBPZSA-N 1 0 359.495 3.339 50 0 FGAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@@H](C)CCSC ZINC000071752029 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CC(C)[C@H](CNC(=O)c1cccc(C[S@](C)=O)c1)[NH+]1CCC(C)CC1 ZINC000040089270 494130690 /nfs/dbraw/zinc/13/06/90/494130690.db2.gz FFBWWPJUWMLVTG-UQBPGWFLSA-N 1 0 364.555 3.051 50 0 FGAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)CC1 ZINC000040089972 494130990 /nfs/dbraw/zinc/13/09/90/494130990.db2.gz CJJOWJYJCYEIEO-UHFFFAOYSA-N 1 0 367.493 3.393 50 0 FGAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cc(F)cc(F)c2)CC1 ZINC000040089836 494131039 /nfs/dbraw/zinc/13/10/39/494131039.db2.gz JHHHRAHTTFAYOM-UHFFFAOYSA-N 1 0 373.447 3.032 50 0 FGAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCc3ccsc3)cc2)CC1 ZINC000040115686 494133523 /nfs/dbraw/zinc/13/35/23/494133523.db2.gz JPMVTJZDMLTAMU-UHFFFAOYSA-N 1 0 371.550 3.135 50 0 FGAARO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000064592906 494136217 /nfs/dbraw/zinc/13/62/17/494136217.db2.gz IVKIVTWOMUZRDJ-UHFFFAOYSA-N 1 0 354.479 3.359 50 0 FGAARO COc1cc2c(cc1C[NH+]1CCC(c3cc(=O)[nH]c(C)n3)CC1)CCC2 ZINC000072157018 494138556 /nfs/dbraw/zinc/13/85/56/494138556.db2.gz 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CCc1ccc2nc(C)cc(C(=O)NCc3c(C)ncc4c3CC[NH2+]C4)c2c1 ZINC000072418836 494167768 /nfs/dbraw/zinc/16/77/68/494167768.db2.gz DIOUPXNZXWDOIR-UHFFFAOYSA-N 1 0 374.488 3.385 50 0 FGAARO Cc1nn2c(nc(C)cc2NC2CC[NH+](Cc3cccc(O)c3)CC2)c1C ZINC000072429961 494173012 /nfs/dbraw/zinc/17/30/12/494173012.db2.gz QDADEHQRYGTPDD-UHFFFAOYSA-N 1 0 365.481 3.437 50 0 FGAARO O=C(c1n[nH]c2ccccc21)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072477668 494181437 /nfs/dbraw/zinc/18/14/37/494181437.db2.gz UVUGVPDXBJWVKH-UHFFFAOYSA-N 1 0 360.461 3.226 50 0 FGAARO O=C(NC1CC1)c1ccnc(N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000072476826 494181459 /nfs/dbraw/zinc/18/14/59/494181459.db2.gz RIYQKKOCXKTZLZ-SFHVURJKSA-N 1 0 368.456 3.189 50 0 FGAARO Cc1noc(-c2cccnc2N2CCC[N@H+](Cc3cccc(C)c3)CC2)n1 ZINC000065257891 494183175 /nfs/dbraw/zinc/18/31/75/494183175.db2.gz HUFZZWCUUVGETQ-UHFFFAOYSA-N 1 0 363.465 3.461 50 0 FGAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3ccco3)CC2)cc1 ZINC000012057494 494201207 /nfs/dbraw/zinc/20/12/07/494201207.db2.gz QALTVPKYLVDVGE-UHFFFAOYSA-N 1 0 356.466 3.315 50 0 FGAARO OCCOc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cc1 ZINC000012072740 494201490 /nfs/dbraw/zinc/20/14/90/494201490.db2.gz VMDYAHYZRWKKMX-QGZVFWFLSA-N 1 0 362.420 3.412 50 0 FGAARO Cc1ncc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)n1C ZINC000012317772 494222618 /nfs/dbraw/zinc/22/26/18/494222618.db2.gz OCSOAWFDYMHMOV-OAQYLSRUSA-N 1 0 356.489 3.356 50 0 FGAARO O=C(CCc1ccccn1)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012308600 494223173 /nfs/dbraw/zinc/22/31/73/494223173.db2.gz DOVQDZSBKSQEIF-NRFANRHFSA-N 1 0 351.494 3.228 50 0 FGAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc2nccnc2c1 ZINC000012373217 494227977 /nfs/dbraw/zinc/22/79/77/494227977.db2.gz NHSBTLYDWMJKPP-IBGZPJMESA-N 1 0 360.461 3.067 50 0 FGAARO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000012716226 494252074 /nfs/dbraw/zinc/25/20/74/494252074.db2.gz JDWHAYRKCYVGDM-NRFANRHFSA-N 1 0 355.482 3.117 50 0 FGAARO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000012747533 494254602 /nfs/dbraw/zinc/25/46/02/494254602.db2.gz DFEYDOYVMWGFMF-MSOLQXFVSA-N 1 0 367.493 3.440 50 0 FGAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Cl)c1 ZINC000012786579 494258866 /nfs/dbraw/zinc/25/88/66/494258866.db2.gz UDKDTVOBTKOSMS-MNOVXSKESA-N 1 0 358.829 3.187 50 0 FGAARO CCCOc1cc(C)ccc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012893392 494267977 /nfs/dbraw/zinc/26/79/77/494267977.db2.gz FEZQVZUPBHPVEX-UHFFFAOYSA-N 1 0 368.543 3.371 50 0 FGAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1COc2ccccc2C1)c1ccccc1 ZINC000012901374 494269164 /nfs/dbraw/zinc/26/91/64/494269164.db2.gz XBHZGKXAHQQDBD-WOJBJXKFSA-N 1 0 352.478 3.437 50 0 FGAARO O[C@H](C[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCN2 ZINC000013366764 494286421 /nfs/dbraw/zinc/28/64/21/494286421.db2.gz HULVEHCBZLWLND-HXUWFJFHSA-N 1 0 357.885 3.164 50 0 FGAARO Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCN4)CC2)c1C ZINC000013366746 494286638 /nfs/dbraw/zinc/28/66/38/494286638.db2.gz NQLXBKPUYIWSKM-JOCHJYFZSA-N 1 0 351.494 3.127 50 0 FGAARO CCCCOCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000013719804 494294374 /nfs/dbraw/zinc/29/43/74/494294374.db2.gz UVZCIVWFQHRUKF-UHFFFAOYSA-N 1 0 350.503 3.277 50 0 FGAARO COc1ccccc1C[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000013720489 494294458 /nfs/dbraw/zinc/29/44/58/494294458.db2.gz BWEVATZWIVVYQK-UHFFFAOYSA-N 1 0 356.466 3.279 50 0 FGAARO CCOc1cc(C[NH2+]CCCCCO)cc(Br)c1OCC ZINC000013727082 494295941 /nfs/dbraw/zinc/29/59/41/494295941.db2.gz DTWRMVLMYGBZBY-UHFFFAOYSA-N 1 0 360.292 3.499 50 0 FGAARO CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1ccsc1)CC2 ZINC000014538202 494320053 /nfs/dbraw/zinc/32/00/53/494320053.db2.gz RVZBSTYWDFQLDG-UHFFFAOYSA-N 1 0 369.490 3.177 50 0 FGAARO CCCC[N@H+](C)[C@@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 ZINC000014540085 494320172 /nfs/dbraw/zinc/32/01/72/494320172.db2.gz VFPUVRDRWKGJFF-GOSISDBHSA-N 1 0 368.525 3.222 50 0 FGAARO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2=O)c1OC ZINC000014979701 494331822 /nfs/dbraw/zinc/33/18/22/494331822.db2.gz BSKNBJBTGUMHPU-QFIPXVFZSA-N 1 0 372.509 3.461 50 0 FGAARO Cc1ccccc1C[N@@H+]1CCC[C@H](n2cc(C(=O)NC3CCCC3)nn2)C1 ZINC000014995857 494333426 /nfs/dbraw/zinc/33/34/26/494333426.db2.gz YVCIHAZWBVPMBD-IBGZPJMESA-N 1 0 367.497 3.096 50 0 FGAARO O=C(Nc1ccccc1O)C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000015043400 494335408 /nfs/dbraw/zinc/33/54/08/494335408.db2.gz ZKVKSIFGWLPHBO-UHFFFAOYSA-N 1 0 358.413 3.261 50 0 FGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccnn1C ZINC000015062363 494335447 /nfs/dbraw/zinc/33/54/47/494335447.db2.gz BSBMPOVWZABHHL-KRWDZBQOSA-N 1 0 374.916 3.100 50 0 FGAARO O=C(CCC1CC[NH+](Cc2ccnc3ccccc23)CC1)N1CCOCC1 ZINC000015065648 494336791 /nfs/dbraw/zinc/33/67/91/494336791.db2.gz USUZZFSPPJIXRM-UHFFFAOYSA-N 1 0 367.493 3.086 50 0 FGAARO Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CCCCC2)C3=O)n1C ZINC000015069498 494336980 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CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(F)cc3)C2=O)cc1 ZINC000018136452 494425563 /nfs/dbraw/zinc/42/55/63/494425563.db2.gz WSEAXXAPHVFCPH-LJQANCHMSA-N 1 0 370.424 3.079 50 0 FGAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019309117 494441116 /nfs/dbraw/zinc/44/11/16/494441116.db2.gz MIMHKYGQKHTNOA-LJQANCHMSA-N 1 0 360.885 3.210 50 0 FGAARO O=C(CC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000019361412 494443687 /nfs/dbraw/zinc/44/36/87/494443687.db2.gz WOTGTNJBPTXKAI-UHFFFAOYSA-N 1 0 363.505 3.322 50 0 FGAARO C[C@@H](O)C[NH2+]CCNCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000019370661 494443918 /nfs/dbraw/zinc/44/39/18/494443918.db2.gz LAANVYLBPQYPTP-GOSISDBHSA-N 1 0 364.489 3.479 50 0 FGAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019739776 494458967 /nfs/dbraw/zinc/45/89/67/494458967.db2.gz FWWKIVOGLHUYIP-GOSISDBHSA-N 1 0 367.472 3.236 50 0 FGAARO Cc1c([C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc2n1C ZINC000020358596 494471228 /nfs/dbraw/zinc/47/12/28/494471228.db2.gz AYQJLAVCSQSXHJ-NRFANRHFSA-N 1 0 367.468 3.481 50 0 FGAARO C/C(=C\c1ccccc1)C[N@@H+]1CCN(Cc2cccc(C)n2)[C@@H](CCO)C1 ZINC000020450919 494473092 /nfs/dbraw/zinc/47/30/92/494473092.db2.gz ATBPPDDOHJXUKC-UWUFYVNFSA-N 1 0 365.521 3.362 50 0 FGAARO COCCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)c1=O ZINC000021097930 494488740 /nfs/dbraw/zinc/48/87/40/494488740.db2.gz BGGNKRHUNLOVFK-OAQYLSRUSA-N 1 0 370.493 3.392 50 0 FGAARO COc1ccccc1-c1noc2ncnc(NCC[NH+]3CCCCC3)c21 ZINC000021715079 494504729 /nfs/dbraw/zinc/50/47/29/494504729.db2.gz VBSHDECSRNOJMI-UHFFFAOYSA-N 1 0 353.426 3.191 50 0 FGAARO COC(=O)c1ccccc1NC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000021718076 494504845 /nfs/dbraw/zinc/50/48/45/494504845.db2.gz YZIOCQZEABOKJB-UHFFFAOYSA-N 1 0 373.497 3.449 50 0 FGAARO Cc1cc(-n2c(C)cc(C[NH2+][C@@H](C)[C@@H](O)c3ccc(O)cc3)c2C)no1 ZINC000021841272 494507933 /nfs/dbraw/zinc/50/79/33/494507933.db2.gz AGAZFEWSWFCFEG-VBKZILBWSA-N 1 0 355.438 3.308 50 0 FGAARO O=C(c1cc2ccccc2oc1=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022610961 494528548 /nfs/dbraw/zinc/52/85/48/494528548.db2.gz XNDRWLPYRAJRIA-UHFFFAOYSA-N 1 0 362.429 3.141 50 0 FGAARO O=C(CCN1CC[NH+](Cc2cccs2)CC1)Nc1ccc(F)c(F)c1 ZINC000022931059 494543735 /nfs/dbraw/zinc/54/37/35/494543735.db2.gz WXZPOTQYFBMHJK-UHFFFAOYSA-N 1 0 365.449 3.173 50 0 FGAARO COc1cc(C[NH+]2CCC3(CCC(=O)N(C(C)C)C3)CC2)cc(OC)c1 ZINC000091707151 494656066 /nfs/dbraw/zinc/65/60/66/494656066.db2.gz PNTYBCYJQAEMGU-UHFFFAOYSA-N 1 0 360.498 3.317 50 0 FGAARO C[NH+](C)Cc1ccccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000024811220 494668501 /nfs/dbraw/zinc/66/85/01/494668501.db2.gz TUYWPYCPTHGIPD-UHFFFAOYSA-N 1 0 351.450 3.056 50 0 FGAARO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000075105002 494689676 /nfs/dbraw/zinc/68/96/76/494689676.db2.gz AQYQZHBLNIEDIH-ZWKOTPCHSA-N 1 0 360.498 3.260 50 0 FGAARO Nc1nc(Sc2cccs2)cc(-c2cccc3c2O[C@H](C[NH3+])C3)n1 ZINC000067956500 494706857 /nfs/dbraw/zinc/70/68/57/494706857.db2.gz KILTZCRHZWTCHP-NSHDSACASA-N 1 0 356.476 3.201 50 0 FGAARO COc1ccc(-c2nc(CN3CC[N@@H+]4CCC[C@@H]4C3)c(C)o2)c(OC)c1C ZINC000067974103 494716766 /nfs/dbraw/zinc/71/67/66/494716766.db2.gz CISHDGAFPXZDQM-MRXNPFEDSA-N 1 0 371.481 3.256 50 0 FGAARO CC[C@@H](C[NH+](C)C)NC(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000067983085 494717957 /nfs/dbraw/zinc/71/79/57/494717957.db2.gz XCHKXRBNFCBBFN-AWEZNQCLSA-N 1 0 360.458 3.272 50 0 FGAARO O=C1[C@H]2CC[C@H](C[N@H+](CCSc3ccccc3)C2)N1Cc1ccccn1 ZINC000091932427 494727801 /nfs/dbraw/zinc/72/78/01/494727801.db2.gz ADCRQWZLOYYJAD-PKOBYXMFSA-N 1 0 367.518 3.297 50 0 FGAARO O=C(C1CCCCC1)N1CC[C@](O)(c2ccccc2)[C@H]([NH+]2CCCC2)C1 ZINC000075403489 494758337 /nfs/dbraw/zinc/75/83/37/494758337.db2.gz VWOAGDDAWZWWOK-IRLDBZIGSA-N 1 0 356.510 3.151 50 0 FGAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CCC[C@@H]1N2S(=O)(=O)c1ccccc1 ZINC000075566918 494796411 /nfs/dbraw/zinc/79/64/11/494796411.db2.gz HIMAKZRUBJKPGA-MOPGFXCFSA-N 1 0 356.491 3.382 50 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[NH3+][C@@H]1CCC[C@H](C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000237890178 209356777 /nfs/dbraw/zinc/35/67/77/209356777.db2.gz VRAJQOOTFXRJEL-JQHSSLGASA-N 1 0 350.890 3.130 50 0 FGAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)c1cccc(-c2cn[nH]c2)c1 ZINC000097759339 209197230 /nfs/dbraw/zinc/19/72/30/209197230.db2.gz SEEDGFCUFRZZTH-UHFFFAOYSA-N 1 0 370.522 3.167 50 0 FGAARO Cc1cc(-c2nn(C)c(Cl)c2C[N@H+](C)CCc2c(C)n[nH]c2C)no1 ZINC000097744994 209194292 /nfs/dbraw/zinc/19/42/92/209194292.db2.gz BTZICBUKCKLUJL-UHFFFAOYSA-N 1 0 362.865 3.051 50 0 FGAARO O=C(NC[C@@H]1CCC[N@@H+](CCO)C1)Nc1ccc(-c2ccccc2)cc1 ZINC000097681914 209193644 /nfs/dbraw/zinc/19/36/44/209193644.db2.gz KOHPQIMXFQITRC-KRWDZBQOSA-N 1 0 353.466 3.179 50 0 FGAARO CN(C(=O)c1cnc(CN2CCCC2)s1)[C@H](C[NH+](C)C)c1ccccc1 ZINC000097694852 209192999 /nfs/dbraw/zinc/19/29/99/209192999.db2.gz ZZQSIEMHUXCAGZ-QGZVFWFLSA-N 1 0 372.538 3.114 50 0 FGAARO Cc1c(C[NH+]2CCC(O)(Cn3ccnc3)CC2)[nH]c2c1cccc2Cl ZINC000097694900 209192572 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COCCC[N@@H+]1CC[C@@H](CNC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000096180766 209131881 /nfs/dbraw/zinc/13/18/81/209131881.db2.gz BCKCERKGLRZIOB-HNNXBMFYSA-N 1 0 353.894 3.437 50 0 FGAARO CCn1nc(Cc2cccs2)nc1C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000096164387 209129491 /nfs/dbraw/zinc/12/94/91/209129491.db2.gz SZGLKAGDXPKUSS-HNNXBMFYSA-N 1 0 372.494 3.210 50 0 FGAARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)C(=O)c1ccccc1)CC2 ZINC000096163106 209128863 /nfs/dbraw/zinc/12/88/63/209128863.db2.gz UTWLPDOBMBMNRY-HXUWFJFHSA-N 1 0 362.473 3.350 50 0 FGAARO O=C(Nc1ccc2c(c1)COC2)NC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000096164348 209128730 /nfs/dbraw/zinc/12/87/30/209128730.db2.gz BFMPFXFNWSEDIP-UHFFFAOYSA-N 1 0 367.449 3.209 50 0 FGAARO C[NH+]1CCC(Cc2nc(CC[C@H]3CCCO3)n(-c3cccc(F)c3)n2)CC1 ZINC000096150096 209123904 /nfs/dbraw/zinc/12/39/04/209123904.db2.gz RKZABWBAZLVNNT-LJQANCHMSA-N 1 0 372.488 3.402 50 0 FGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3nnc(C)o3)CC2)C1 ZINC000096140479 209121211 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CCn1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)cn1 ZINC000011774730 207321241 /nfs/dbraw/zinc/32/12/41/207321241.db2.gz FJEQPRKXKOSDPC-IBGZPJMESA-N 1 0 370.541 3.298 50 0 FGAARO CCN(Cc1ccon1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011817675 207322867 /nfs/dbraw/zinc/32/28/67/207322867.db2.gz TYIBBCZMIAJOQM-IBGZPJMESA-N 1 0 357.498 3.460 50 0 FGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1)c1ccc(F)cc1 ZINC000011662691 207315993 /nfs/dbraw/zinc/31/59/93/207315993.db2.gz PKOKPMODKQPYNQ-OAHLLOKOSA-N 1 0 368.412 3.004 50 0 FGAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2ccncc2)C1 ZINC000012075971 207335059 /nfs/dbraw/zinc/33/50/59/207335059.db2.gz HBZPFSZYZUTRHF-JOCHJYFZSA-N 1 0 368.477 3.478 50 0 FGAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cc(C)n[nH]2)C1 ZINC000011934667 207330616 /nfs/dbraw/zinc/33/06/16/207330616.db2.gz MRRTUAUGELGGCT-OAQYLSRUSA-N 1 0 371.481 3.115 50 0 FGAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)Cc2ccccn2)C1 ZINC000011938257 207331562 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O=C(c1csc2nc(-c3ccccc3F)cn12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000012302580 207357112 /nfs/dbraw/zinc/35/71/12/207357112.db2.gz JKVMVKYGGQQPEG-CYBMUJFWSA-N 1 0 370.453 3.122 50 0 FGAARO CCn1ccnc1CN(C)C[C@@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000012305251 207358354 /nfs/dbraw/zinc/35/83/54/207358354.db2.gz FLBYRMVPRFVGMY-FQEVSTJZSA-N 1 0 370.541 3.298 50 0 FGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2csc(-c3ccc(F)cc3)n2)N1 ZINC000012539210 207389784 /nfs/dbraw/zinc/38/97/84/207389784.db2.gz UHGYVJVOWDOARG-HNNXBMFYSA-N 1 0 364.409 3.395 50 0 FGAARO Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CCCCC2)C3=O)cn1 ZINC000012574664 207396544 /nfs/dbraw/zinc/39/65/44/207396544.db2.gz ZNHUXDAQFZJMDJ-OAQYLSRUSA-N 1 0 356.514 3.180 50 0 FGAARO Cc1ccn(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)n1 ZINC000012715889 207410348 /nfs/dbraw/zinc/41/03/48/207410348.db2.gz WRUFSPAIKDTQKV-OAQYLSRUSA-N 1 0 358.530 3.086 50 0 FGAARO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000012597374 207399744 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C[NH+](C)C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1 ZINC000032781280 208042581 /nfs/dbraw/zinc/04/25/81/208042581.db2.gz UUQUJQDTFDXQQX-MRXNPFEDSA-N 1 0 360.841 3.144 50 0 FGAARO CCOc1c(Br)cc(CNC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000068722534 208054272 /nfs/dbraw/zinc/05/42/72/208054272.db2.gz QTKZEOJNPLGXKA-ZDUSSCGKSA-N 1 0 371.319 3.288 50 0 FGAARO Cc1ccc(C)c(S(=O)(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c1 ZINC000032951848 208059359 /nfs/dbraw/zinc/05/93/59/208059359.db2.gz LGKMJKFAEDGCLO-UHFFFAOYSA-N 1 0 364.555 3.436 50 0 FGAARO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COC(C)C)c1OC ZINC000036097280 208145377 /nfs/dbraw/zinc/14/53/77/208145377.db2.gz SGWLADJYMAUCPN-GOSISDBHSA-N 1 0 353.503 3.338 50 0 FGAARO COCCC[N@@H+](Cc1ccccc1C)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036099924 208146560 /nfs/dbraw/zinc/14/65/60/208146560.db2.gz SHVDNOINKRIVSA-HXUWFJFHSA-N 1 0 373.493 3.282 50 0 FGAARO CCOc1cc(C[NH2+]CCN(C)C)cc(Br)c1OC(C)C ZINC000040719597 208263557 /nfs/dbraw/zinc/26/35/57/208263557.db2.gz HUJCELSMWLAKFM-UHFFFAOYSA-N 1 0 359.308 3.286 50 0 FGAARO CC(C)Oc1c(Br)cc(Br)cc1C[NH2+]CCO ZINC000040729940 208265333 /nfs/dbraw/zinc/26/53/33/208265333.db2.gz KRIJMVYQRNCXHM-UHFFFAOYSA-N 1 0 367.081 3.081 50 0 FGAARO COc1ccc(F)cc1[C@H](C)NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000045462883 208332746 /nfs/dbraw/zinc/33/27/46/208332746.db2.gz TZSXITZGXGTRGB-AWEZNQCLSA-N 1 0 351.466 3.315 50 0 FGAARO CC(C)C[NH+]1CCC(NC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000045462462 208333880 /nfs/dbraw/zinc/33/38/80/208333880.db2.gz UPGVHMGSONWQTC-UHFFFAOYSA-N 1 0 353.894 3.138 50 0 FGAARO Cc1c2cc(Cl)cc(Br)c2oc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000299738650 208325249 /nfs/dbraw/zinc/32/52/49/208325249.db2.gz DNGCELUIIDOHDV-VIFPVBQESA-N 1 0 357.635 3.330 50 0 FGAARO COc1ccccc1C[C@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000058168591 208559174 /nfs/dbraw/zinc/55/91/74/208559174.db2.gz BJCAHOHDFZMADF-BZSNNMDCSA-N 1 0 361.530 3.293 50 0 FGAARO O=C(COc1ccc2c(c1)CCC2)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000058283569 208577455 /nfs/dbraw/zinc/57/74/55/208577455.db2.gz NRAPTKINXPNNCZ-GOSISDBHSA-N 1 0 356.510 3.279 50 0 FGAARO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CCc1cccc(Cl)c1 ZINC000060344688 208595201 /nfs/dbraw/zinc/59/52/01/208595201.db2.gz QDAQRKUYUIZYRB-UHFFFAOYSA-N 1 0 368.905 3.005 50 0 FGAARO CCNC(=O)CC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067983262 208744241 /nfs/dbraw/zinc/74/42/41/208744241.db2.gz XKBQBZXZRFZRPO-UHFFFAOYSA-N 1 0 374.868 3.433 50 0 FGAARO C[NH2+]CCNc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cn1 ZINC000067821570 208731242 /nfs/dbraw/zinc/73/12/42/208731242.db2.gz DIUDNAPJMAVGFE-GOSISDBHSA-N 1 0 352.482 3.123 50 0 FGAARO CCCC[NH+]1CCC(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000068443017 208747336 /nfs/dbraw/zinc/74/73/36/208747336.db2.gz AHLVUSLNRLKEEM-UHFFFAOYSA-N 1 0 366.889 3.034 50 0 FGAARO Cc1noc(C)c1C[NH+]1CCC(c2nccn2Cc2cscn2)CC1 ZINC000091871862 209001465 /nfs/dbraw/zinc/00/14/65/209001465.db2.gz WUILPQBFDHQRRS-UHFFFAOYSA-N 1 0 357.483 3.372 50 0 FGAARO CCc1cc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)on1 ZINC000091876547 209002823 /nfs/dbraw/zinc/00/28/23/209002823.db2.gz XVZQLFJHVYAAMB-OXJNMPFZSA-N 1 0 351.494 3.301 50 0 FGAARO C[C@H](O)C[NH+]1CCC(CN(C)c2ncccc2OCc2ccccc2)CC1 ZINC000095997119 209094949 /nfs/dbraw/zinc/09/49/49/209094949.db2.gz JDTWNCUZFHVMNC-SFHVURJKSA-N 1 0 369.509 3.190 50 0 FGAARO O=C(c1ccc(F)c(Cl)c1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091966438 209006897 /nfs/dbraw/zinc/00/68/97/209006897.db2.gz VUIMMOGCWDRSBH-HZPDHXFCSA-N 1 0 368.880 3.036 50 0 FGAARO COc1c[nH]c(C[N@@H+]2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)cc1=O ZINC000091988530 209008895 /nfs/dbraw/zinc/00/88/95/209008895.db2.gz OOQFBPMECZXLDP-NRFANRHFSA-N 1 0 370.449 3.369 50 0 FGAARO O=C(COc1ccccc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095353784 209024289 /nfs/dbraw/zinc/02/42/89/209024289.db2.gz JKAFNLQVYLCMGQ-AZUAARDMSA-N 1 0 368.452 3.328 50 0 FGAARO Cc1ccc(C[NH+]2CCC3(CC(=O)N(Cc4c(C)noc4C)C3)CC2)o1 ZINC000095361330 209028034 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50 0 FGAARO CN(C)c1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)nc2ccccc21 ZINC000225808567 497076643 /nfs/dbraw/zinc/07/66/43/497076643.db2.gz IDMCGUWTIGWIKA-UHFFFAOYSA-N 1 0 352.482 3.001 50 0 FGAARO C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2ccccc2Cl)C[C@@H](C)O1 ZINC000229657246 497099479 /nfs/dbraw/zinc/09/94/79/497099479.db2.gz HAELKZRBWLNZRJ-RBSFLKMASA-N 1 0 351.878 3.446 50 0 FGAARO O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)C1CC[NH+](C2CC2)CC1 ZINC000192597981 497160451 /nfs/dbraw/zinc/16/04/51/497160451.db2.gz CNRFUCPQQBDIHD-INIZCTEOSA-N 1 0 361.917 3.299 50 0 FGAARO Cc1ccc(NC(=O)CCN2CC[NH+](C3CCSCC3)CC2)cc1C ZINC000252488597 497304829 /nfs/dbraw/zinc/30/48/29/497304829.db2.gz IVHCPPFUBRMRDN-UHFFFAOYSA-N 1 0 361.555 3.145 50 0 FGAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000252513087 497309348 /nfs/dbraw/zinc/30/93/48/497309348.db2.gz XFUUFLNXNPBKKH-AEFFLSMTSA-N 1 0 356.491 3.211 50 0 FGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1cc(F)c(F)cc1F ZINC000253413164 497332673 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CCCC[N@@H+]1CCn2nc(CNC(=O)Nc3cccc(C)c3C)cc2C1 ZINC000299755647 497913802 /nfs/dbraw/zinc/91/38/02/497913802.db2.gz CGFLAKJOIZTSKI-UHFFFAOYSA-N 1 0 355.486 3.437 50 0 FGAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2scc3c2OCCO3)C1 ZINC000299757693 497914173 /nfs/dbraw/zinc/91/41/73/497914173.db2.gz ALOAEKGJMVRPJI-OAHLLOKOSA-N 1 0 372.490 3.047 50 0 FGAARO Cc1nccn1CC[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC000299760988 497915319 /nfs/dbraw/zinc/91/53/19/497915319.db2.gz QBNZHHJVZFZBIZ-IBGZPJMESA-N 1 0 354.498 3.314 50 0 FGAARO Cc1n[nH]c(C)c1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299765583 497916684 /nfs/dbraw/zinc/91/66/84/497916684.db2.gz BVSVHASLMPQWPR-FQEVSTJZSA-N 1 0 354.498 3.303 50 0 FGAARO Cc1n[nH]c(C)c1CC[N@@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000299771462 497919046 /nfs/dbraw/zinc/91/90/46/497919046.db2.gz XWZHFHJQWJQXBH-UHFFFAOYSA-N 1 0 355.511 3.391 50 0 FGAARO O=C(NC[C@@H](O)c1cccc(O)c1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299772250 497919225 /nfs/dbraw/zinc/91/92/25/497919225.db2.gz 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ZINC000299802015 497929287 /nfs/dbraw/zinc/92/92/87/497929287.db2.gz ZXCMWQKOQWIJIQ-MRXNPFEDSA-N 1 0 358.507 3.158 50 0 FGAARO COc1cccc(C[NH+]2CCC(N3C[C@H](OC)[C@@H]3c3ccncc3)CC2)c1 ZINC000575554196 505981210 /nfs/dbraw/zinc/98/12/10/505981210.db2.gz ONBYVJUJCXQMIJ-VXKWHMMOSA-N 1 0 367.493 3.127 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1cc2ccccc2o1 ZINC000575619980 505984834 /nfs/dbraw/zinc/98/48/34/505984834.db2.gz HFNBQRWFEPFBLU-OAHLLOKOSA-N 1 0 352.390 3.194 50 0 FGAARO CCOC1(C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)CCCC1 ZINC000376046709 499578844 /nfs/dbraw/zinc/57/88/44/499578844.db2.gz VRBUDFFWTJPORY-UHFFFAOYSA-N 1 0 360.498 3.103 50 0 FGAARO C[C@@H]1C[C@@H]1C(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000408515654 499591695 /nfs/dbraw/zinc/59/16/95/499591695.db2.gz OKVBHAAYLUZBSO-OCCSQVGLSA-N 1 0 368.319 3.421 50 0 FGAARO O=C(NCC1CC[NH2+]CC1)N[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000426529282 500285344 /nfs/dbraw/zinc/28/53/44/500285344.db2.gz LGHBVTVBYCCTOX-SFHVURJKSA-N 1 0 358.873 3.123 50 0 FGAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cc(CO)ccn4)C3)C2)c1 ZINC000426538433 500287177 /nfs/dbraw/zinc/28/71/77/500287177.db2.gz NQZMNLAFMJZLTJ-QFIPXVFZSA-N 1 0 367.493 3.075 50 0 FGAARO CCc1oc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1C[NH+](CC)CC ZINC000426615545 500294836 /nfs/dbraw/zinc/29/48/36/500294836.db2.gz ORUGQMVJQIMDRK-OAHLLOKOSA-N 1 0 358.486 3.427 50 0 FGAARO CCN(Cc1nccn1C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000426615582 500294989 /nfs/dbraw/zinc/29/49/89/500294989.db2.gz SJRNKFJSTUPEAI-IBGZPJMESA-N 1 0 369.513 3.179 50 0 FGAARO CSCC[NH+]1CCC(NC(=O)c2ccc(-c3ccc(C)nn3)cc2)CC1 ZINC000426612841 500295077 /nfs/dbraw/zinc/29/50/77/500295077.db2.gz MCJZNTAOEABTPW-UHFFFAOYSA-N 1 0 370.522 3.009 50 0 FGAARO O=C(c1cccc(-c2cc[nH]n2)c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000426618359 500295219 /nfs/dbraw/zinc/29/52/19/500295219.db2.gz OYNLLBXNRUHMRP-UHFFFAOYSA-N 1 0 366.490 3.486 50 0 FGAARO COCCCCN1CCN(C(=O)c2ccc(-c3cccc(C)n3)cc2)CC1 ZINC000426624795 500296322 /nfs/dbraw/zinc/29/63/22/500296322.db2.gz RROHUGRWFMSRPF-UHFFFAOYSA-N 1 0 367.493 3.241 50 0 FGAARO CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2c[nH+]ccc2N)cc1 ZINC000426643061 500299618 /nfs/dbraw/zinc/29/96/18/500299618.db2.gz VIMQTLBNKWACBF-UHFFFAOYSA-N 1 0 363.465 3.193 50 0 FGAARO COc1ccnc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](Oc4ccccn4)C[C@H]23)c1 ZINC000426722437 500311191 /nfs/dbraw/zinc/31/11/91/500311191.db2.gz MRNAMBKIGPNGIQ-SVFBPWRDSA-N 1 0 369.465 3.076 50 0 FGAARO Cc1ccnc(CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000509230118 502854800 /nfs/dbraw/zinc/85/48/00/502854800.db2.gz OLXMKITYWSUTEF-SFHVURJKSA-N 1 0 351.494 3.349 50 0 FGAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)Cc3ccc(C(C)C)cc3)cc2C1 ZINC000082147379 519732326 /nfs/dbraw/zinc/73/23/26/519732326.db2.gz MRVVFHFZUJIWGJ-UHFFFAOYSA-N 1 0 368.525 3.337 50 0 FGAARO CC[NH+](CC)CCCNC(=S)NCCc1c[nH]c2cc(F)ccc12 ZINC000020608601 520622472 /nfs/dbraw/zinc/62/24/72/520622472.db2.gz QNJXXEZNXQSUIJ-UHFFFAOYSA-N 1 0 350.507 3.046 50 0 FGAARO CCOc1ccccc1CN1CC[N@H+](Cc2ccccc2)[C@@H](CCO)C1 ZINC000020784887 521484232 /nfs/dbraw/zinc/48/42/32/521484232.db2.gz VRNOOFIOLDAVJZ-NRFANRHFSA-N 1 0 354.494 3.154 50 0 FGAARO COc1cc(Br)cc(C[NH2+]C[C@@H](O)c2ccccc2)c1OC ZINC000020933827 522026255 /nfs/dbraw/zinc/02/62/55/522026255.db2.gz QOUCUMOSVZNCLQ-OAHLLOKOSA-N 1 0 366.255 3.290 50 0 FGAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1 ZINC000178981446 522055689 /nfs/dbraw/zinc/05/56/89/522055689.db2.gz JTTGVJGFZMFYQH-AWEZNQCLSA-N 1 0 360.889 3.331 50 0 FGAARO Cc1cc(NC(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)no1 ZINC000630095953 522614661 /nfs/dbraw/zinc/61/46/61/522614661.db2.gz RHWCXKVVRFUIIF-IYBDPMFKSA-N 1 0 372.469 3.256 50 0 FGAARO CCc1ccc(C[NH+]2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)nc1 ZINC000082087649 523924356 /nfs/dbraw/zinc/92/43/56/523924356.db2.gz JQCFINKTPPFYBX-UHFFFAOYSA-N 1 0 368.529 3.012 50 0 FGAARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(Oc3ncccn3)cc1)C2 ZINC000019789375 524246660 /nfs/dbraw/zinc/24/66/60/524246660.db2.gz SLMHLVVYNQVYBS-QGZVFWFLSA-N 1 0 363.417 3.371 50 0 FGAARO O=C(Cc1cccnc1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091535355 527295842 /nfs/dbraw/zinc/29/58/42/527295842.db2.gz BRPXZOWQUMDAMT-FCHUYYIVSA-N 1 0 363.505 3.180 50 0 FGAARO O=C(Cc1cccnc1)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)CC1 ZINC000082099207 527296699 /nfs/dbraw/zinc/29/66/99/527296699.db2.gz WLSOXRVDUGUPMK-IBGZPJMESA-N 1 0 357.885 3.448 50 0 FGAARO CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(c3cc[nH+]cc3)C2)cc1 ZINC000033128895 534990036 /nfs/dbraw/zinc/99/00/36/534990036.db2.gz NHSMSQXWRUAGPX-GOSISDBHSA-N 1 0 353.466 3.402 50 0 FGAARO CC(C)=CC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055227456 535342553 /nfs/dbraw/zinc/34/25/53/535342553.db2.gz ODWJHPYSOKHORF-IBGZPJMESA-N 1 0 361.917 3.419 50 0 FGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000095497719 535936459 /nfs/dbraw/zinc/93/64/59/535936459.db2.gz DYMSRBSTIDHOEL-AWEZNQCLSA-N 1 0 367.419 3.243 50 0 FGAARO CCc1c(C)nc(C)nc1N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095528443 536070445 /nfs/dbraw/zinc/07/04/45/536070445.db2.gz CSSFCLUEZOFCNI-UHFFFAOYSA-N 1 0 370.545 3.188 50 0 FGAARO CN1CCC[C@]2(CC[N@H+](Cc3cnc(-c4ccc(Cl)cc4)nc3)C2)C1=O ZINC000216131770 568107413 /nfs/dbraw/zinc/10/74/13/568107413.db2.gz WBVMAAIYMXLOGA-HXUWFJFHSA-N 1 0 370.884 3.241 50 0 FGAARO Cc1csc2nc(CN3CCC(C[NH+]4CCCCCC4)CC3)cc(=O)n12 ZINC000045806681 570912151 /nfs/dbraw/zinc/91/21/51/570912151.db2.gz XXNJVJACVQKXGS-UHFFFAOYSA-N 1 0 374.554 3.152 50 0 FGAARO C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744931 570959014 /nfs/dbraw/zinc/95/90/14/570959014.db2.gz RBJGMEMNZBHRSP-CYBMUJFWSA-N 1 0 360.404 3.473 50 0 FGAARO COc1ccc(OCC[NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000049581017 570964691 /nfs/dbraw/zinc/96/46/91/570964691.db2.gz WUDGCAFEJIVSRM-CABCVRRESA-N 1 0 360.429 3.069 50 0 FGAARO Cc1cc(=O)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)c[nH]1 ZINC000426361073 571215288 /nfs/dbraw/zinc/21/52/88/571215288.db2.gz DECAZIQADSJVMQ-JOCHJYFZSA-N 1 0 371.525 3.192 50 0 FGAARO Cn1c(SCc2ccccc2OC(F)F)nnc1[C@H]1CCC[NH2+]C1 ZINC000426371129 571216324 /nfs/dbraw/zinc/21/63/24/571216324.db2.gz PGDQKQKAAUJHCY-NSHDSACASA-N 1 0 354.426 3.176 50 0 FGAARO Cn1c(SCc2ccccc2OC(F)F)nnc1[C@@H]1CCC[NH2+]C1 ZINC000426371128 571216341 /nfs/dbraw/zinc/21/63/41/571216341.db2.gz PGDQKQKAAUJHCY-LLVKDONJSA-N 1 0 354.426 3.176 50 0 FGAARO CCc1nn2c(nc(C[N@@H+]3C[C@@H](c4ccccc4)C(C)(C)C3)cc2=O)s1 ZINC000426392752 571219106 /nfs/dbraw/zinc/21/91/06/571219106.db2.gz IQGAMEFTALBJKV-INIZCTEOSA-N 1 0 368.506 3.339 50 0 FGAARO Cc1cc(-c2cccc(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)c2)ccc1Cl ZINC000426399444 571220201 /nfs/dbraw/zinc/22/02/01/571220201.db2.gz RCLNNIPEYSMYLG-LJQANCHMSA-N 1 0 371.912 3.291 50 0 FGAARO O=C(c1ccc(-c2ccc(OC(F)F)cc2)cc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000426422071 571223335 /nfs/dbraw/zinc/22/33/35/571223335.db2.gz YMUIBTFKPPQBDJ-FUHWJXTLSA-N 1 0 358.388 3.389 50 0 FGAARO Cc1cccc2cc(C(=O)N3CC[NH+](C4Cc5ccccc5C4)CC3)n(C)c21 ZINC000426431099 571224894 /nfs/dbraw/zinc/22/48/94/571224894.db2.gz LWWHBSYENSLOHF-UHFFFAOYSA-N 1 0 373.500 3.412 50 0 FGAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC2(CCOCC2)CC1 ZINC000426442035 571225472 /nfs/dbraw/zinc/22/54/72/571225472.db2.gz VCJZVOTVOUUPPC-FQEVSTJZSA-N 1 0 371.525 3.253 50 0 FGAARO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@H](O)c1cccc(Cl)c1 ZINC000670434671 571346407 /nfs/dbraw/zinc/34/64/07/571346407.db2.gz HFCCEIICJJHIMT-QGZVFWFLSA-N 1 0 364.898 3.216 50 0 FGAARO CCOc1cc(CN(C)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1OC ZINC000670470021 571360255 /nfs/dbraw/zinc/36/02/55/571360255.db2.gz WFOYCJJDAXLFCD-INIZCTEOSA-N 1 0 363.502 3.108 50 0 FGAARO Cc1oc(-c2cccs2)nc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000012710679 695607317 /nfs/dbraw/zinc/60/73/17/695607317.db2.gz GCTZIUVRYVXMCE-AWEZNQCLSA-N 1 0 355.467 3.260 50 0 FGAARO Cc1ccsc1C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000020637928 695642103 /nfs/dbraw/zinc/64/21/03/695642103.db2.gz SBECZLHCDXVWOH-UHFFFAOYSA-N 1 0 352.507 3.492 50 0 FGAARO CC[C@@](O)(C[NH2+][C@@H]1COC2(CCC2)C1)c1ccc(Br)cc1 ZINC000888101252 739470863 /nfs/dbraw/zinc/47/08/63/739470863.db2.gz YTNGJMJLLONHKF-DOTOQJQBSA-N 1 0 354.288 3.348 50 0 FGAARO C[NH2+]CCCNCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000261492166 210007311 /nfs/dbraw/zinc/00/73/11/210007311.db2.gz SEUXGFQJBFIKGH-UHFFFAOYSA-N 1 0 369.900 3.346 50 0 FGAARO CC(C)[NH+](CCNc1ccc2nnc(-c3ccccc3F)n2n1)C(C)C ZINC000060031242 209864192 /nfs/dbraw/zinc/86/41/92/209864192.db2.gz XDTGNKGDNWRCNZ-UHFFFAOYSA-N 1 0 356.449 3.461 50 0 FGAARO [NH3+][C@@H]1CC[C@H](C(=O)N(CCc2ccc(Cl)cc2)Cc2cccnc2)C1 ZINC000215604926 209638639 /nfs/dbraw/zinc/63/86/39/209638639.db2.gz YNYMXKFJBWYQBQ-PKOBYXMFSA-N 1 0 357.885 3.434 50 0 FGAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000002013171 209392925 /nfs/dbraw/zinc/39/29/25/209392925.db2.gz YFKUXYQHJSZIFH-UHFFFAOYSA-N 1 0 370.449 3.446 50 0 FGAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000237374680 209346576 /nfs/dbraw/zinc/34/65/76/209346576.db2.gz KBJSMDWEBNSCCF-NEPJUHHUSA-N 1 0 367.280 3.379 50 0 FGAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000237272577 209342070 /nfs/dbraw/zinc/34/20/70/209342070.db2.gz WHZAMHZRSDFUPS-CYBMUJFWSA-N 1 0 353.253 3.003 50 0 FGAARO COc1ccc(OC)c(-c2nc(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c(C)o2)c1 ZINC000102598086 209236722 /nfs/dbraw/zinc/23/67/22/209236722.db2.gz OGIJGQUQCNDIPD-FICVDOATSA-N 1 0 358.438 3.155 50 0 FGAARO Cc1c(Cl)ccc(NC(=O)NCC[C@@H](C)[NH+]2CCN(C)CC2)c1Cl ZINC000097742860 209194942 /nfs/dbraw/zinc/19/49/42/209194942.db2.gz JCOFLFYMTKJSSN-GFCCVEGCSA-N 1 0 373.328 3.449 50 0 FGAARO COc1cccc(Oc2ccc(NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]C4)cn2)c1 ZINC000097744917 209194456 /nfs/dbraw/zinc/19/44/56/209194456.db2.gz BLWJMJGSTISGTF-HOCLYGCPSA-N 1 0 368.437 3.098 50 0 FGAARO C[NH+]1CCC(CCC(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)CC1 ZINC000097713469 209193566 /nfs/dbraw/zinc/19/35/66/209193566.db2.gz 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COc1ccc2nc(C)c(C(=O)NCCC[NH+]3CCC(C)CC3)cc2c1 ZINC000028070042 207948570 /nfs/dbraw/zinc/94/85/70/207948570.db2.gz KAXMDLNGGAAFGZ-UHFFFAOYSA-N 1 0 355.482 3.404 50 0 FGAARO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)C1 ZINC000030946002 208008138 /nfs/dbraw/zinc/00/81/38/208008138.db2.gz KSPMDVQPGYPITA-HNNXBMFYSA-N 1 0 351.450 3.270 50 0 FGAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2cncn2)cc1)c1ccsc1 ZINC000031986764 208022486 /nfs/dbraw/zinc/02/24/86/208022486.db2.gz QAGDDDXAJQVAMS-SFHVURJKSA-N 1 0 369.494 3.142 50 0 FGAARO CCc1ccc([C@H](CNC(=O)/C=C/c2ccc3c(c2)OCO3)[NH+](C)C)cc1 ZINC000032735472 208037291 /nfs/dbraw/zinc/03/72/91/208037291.db2.gz BNKBGWCFQSYSBT-BEBFYNPSSA-N 1 0 366.461 3.410 50 0 FGAARO CC(=O)N[C@@H](CC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(C)cc1 ZINC000032736290 208037569 /nfs/dbraw/zinc/03/75/69/208037569.db2.gz BTOSOKFUVPEFGM-ROUUACIJSA-N 1 0 373.522 3.043 50 0 FGAARO Cc1ccccc1S(=O)(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000032951844 208059417 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CC(C)c1nccc(C[NH+]2CCC(c3nnc4n3CCCCC4)CC2)n1 ZINC000071721597 494094971 /nfs/dbraw/zinc/09/49/71/494094971.db2.gz DEJZALDLRTUPCR-UHFFFAOYSA-N 1 0 354.502 3.298 50 0 FGAARO C[NH+]1CCC(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)CC1 ZINC000071753371 494097849 /nfs/dbraw/zinc/09/78/49/494097849.db2.gz XAGGZXPTYMQEEV-OAHLLOKOSA-N 1 0 350.453 3.478 50 0 FGAARO Cc1ncoc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071754676 494097921 /nfs/dbraw/zinc/09/79/21/494097921.db2.gz NEWWROGMCZHAKS-SFHVURJKSA-N 1 0 359.445 3.495 50 0 FGAARO CNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(C)c3C)oc2C)C1 ZINC000071753251 494098034 /nfs/dbraw/zinc/09/80/34/494098034.db2.gz SKFOKKFAXPIRCH-MRXNPFEDSA-N 1 0 371.481 3.233 50 0 FGAARO CCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071757210 494099373 /nfs/dbraw/zinc/09/93/73/494099373.db2.gz STBWBBOGBPZYII-FQEVSTJZSA-N 1 0 372.488 3.415 50 0 FGAARO CC(C)[C@@H]1C[N@H+](Cc2ccncc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071764975 494100390 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CCCc1n[nH]cc1C(=O)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000072125508 494129677 /nfs/dbraw/zinc/12/96/77/494129677.db2.gz YLKPRGQKPZJVOZ-SFHVURJKSA-N 1 0 352.482 3.025 50 0 FGAARO Cc1cc(C)c2c(c1)nc(C)cc2C(=O)N1CCC[C@@](O)(C[NH+](C)C)CC1 ZINC000072143534 494132865 /nfs/dbraw/zinc/13/28/65/494132865.db2.gz MCHQJBDOZBURNQ-QFIPXVFZSA-N 1 0 369.509 3.079 50 0 FGAARO Cc1ccn(CC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 ZINC000072152507 494136016 /nfs/dbraw/zinc/13/60/16/494136016.db2.gz HWFNGIMXGOSTKE-FQEVSTJZSA-N 1 0 372.488 3.090 50 0 FGAARO O=C(c1ccc(Cl)cn1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072156956 494137905 /nfs/dbraw/zinc/13/79/05/494137905.db2.gz IHUQBYXUQBXXKP-GOSISDBHSA-N 1 0 355.869 3.050 50 0 FGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2cc(Cl)no2)C1 ZINC000072158243 494137973 /nfs/dbraw/zinc/13/79/73/494137973.db2.gz XXRKRUGZCGBJLC-MRXNPFEDSA-N 1 0 361.873 3.384 50 0 FGAARO Cc1c(Cl)cc(C(=O)N2CCC[C@@H](N(C)CC[NH+](C)C)C2)cc1Cl ZINC000072167527 494142090 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COc1ccc(-c2nccn2CC[C@@H](C)[NH+]2CCN(C)CC2)c(C)c1C ZINC000072432267 494173583 /nfs/dbraw/zinc/17/35/83/494173583.db2.gz KTJIBIASTXSWDD-MRXNPFEDSA-N 1 0 356.514 3.202 50 0 FGAARO c1cn(Cc2nc(-c3ccccc3)cs2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072439149 494175347 /nfs/dbraw/zinc/17/53/47/494175347.db2.gz RFMTYWQNYINILX-UHFFFAOYSA-N 1 0 362.462 3.022 50 0 FGAARO CC(C)(O)CCc1ccc(C(=O)N2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000072475907 494180003 /nfs/dbraw/zinc/18/00/03/494180003.db2.gz YENNSUORVMZTMW-UHFFFAOYSA-N 1 0 358.526 3.338 50 0 FGAARO Clc1ccccc1C1(c2ccnc(NCc3ccon3)n2)CC[NH2+]CC1 ZINC000072474027 494180654 /nfs/dbraw/zinc/18/06/54/494180654.db2.gz BSIFVAOCJLWUHR-UHFFFAOYSA-N 1 0 369.856 3.400 50 0 FGAARO Cc1ccc2nccc(C(=O)N3CCC([N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000072480771 494182869 /nfs/dbraw/zinc/18/28/69/494182869.db2.gz RZFOVFMTHPDPLM-CALCHBBNSA-N 1 0 367.493 3.257 50 0 FGAARO CCC[C@@H](Nc1nc(CC[NH3+])nc2sc(C)c(C)c21)c1nccn1C ZINC000065381376 494191410 /nfs/dbraw/zinc/19/14/10/494191410.db2.gz DRHQMBYAPWGVIY-CYBMUJFWSA-N 1 0 358.515 3.496 50 0 FGAARO Cc1ccccc1[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2)CC1)N(C)C ZINC000065399002 494193306 /nfs/dbraw/zinc/19/33/06/494193306.db2.gz LEDDGJRMCZOQMY-QFIPXVFZSA-N 1 0 365.521 3.492 50 0 FGAARO O=C(CC[NH2+]Cc1ccc(N2CCCC2=O)cc1)Nc1ccccc1F ZINC000065397915 494193540 /nfs/dbraw/zinc/19/35/40/494193540.db2.gz JQFWAIQVRKKTDH-UHFFFAOYSA-N 1 0 355.413 3.071 50 0 FGAARO Cc1ccc(-c2nc(C3CC3)nn2-c2cc[nH+]cc2C)cc1N1CCNC1=O ZINC000065406145 494193699 /nfs/dbraw/zinc/19/36/99/494193699.db2.gz XYUJGRJNEWMMKI-UHFFFAOYSA-N 1 0 374.448 3.353 50 0 FGAARO Cc1ccccc1N1CCC([N@@H+]2CCCN(C(=O)C3CCC3)CC2)CC1 ZINC000065403439 494193751 /nfs/dbraw/zinc/19/37/51/494193751.db2.gz QGRFNXWRKHLFMS-UHFFFAOYSA-N 1 0 355.526 3.298 50 0 FGAARO CC(C)(C[N@@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1)N1CCOCC1 ZINC000065419462 494195388 /nfs/dbraw/zinc/19/53/88/494195388.db2.gz MUCJIFSFQYEQQM-FQEVSTJZSA-N 1 0 366.509 3.044 50 0 FGAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CSCc2ccccn2)C1 ZINC000054228042 494210537 /nfs/dbraw/zinc/21/05/37/494210537.db2.gz XYXNDFCJRMQDRE-WMZOPIPTSA-N 1 0 355.507 3.267 50 0 FGAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2ccccn2)cc1 ZINC000012594260 494245766 /nfs/dbraw/zinc/24/57/66/494245766.db2.gz FOJIHDNAFXYLCF-UHFFFAOYSA-N 1 0 367.493 3.117 50 0 FGAARO CN(CCC[NH+](C)C)[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000012718433 494252039 /nfs/dbraw/zinc/25/20/39/494252039.db2.gz NLYHVQKSWKOWJL-OAQYLSRUSA-N 1 0 359.558 3.274 50 0 FGAARO COc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1O ZINC000012756942 494254952 /nfs/dbraw/zinc/25/49/52/494254952.db2.gz VMZJSBWMQFLWHG-OAQYLSRUSA-N 1 0 359.441 3.357 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)CCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000012768453 494256129 /nfs/dbraw/zinc/25/61/29/494256129.db2.gz QZJYDMTUPHMQQB-NRFANRHFSA-N 1 0 362.477 3.224 50 0 FGAARO CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012766975 494256702 /nfs/dbraw/zinc/25/67/02/494256702.db2.gz OSNALIUGMWHYTK-QGZVFWFLSA-N 1 0 351.450 3.000 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1cc(Br)ccc1O)c1ccccc1 ZINC000012776820 494257345 /nfs/dbraw/zinc/25/73/45/494257345.db2.gz JBJFSGWJRZXOOK-OAHLLOKOSA-N 1 0 363.255 3.187 50 0 FGAARO CCN(C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1=CCCC1 ZINC000012801841 494261146 /nfs/dbraw/zinc/26/11/46/494261146.db2.gz BGWGUAJNROGFDT-KRWDZBQOSA-N 1 0 355.482 3.253 50 0 FGAARO COc1cccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)Oc2ccccc2)c1 ZINC000012868192 494267193 /nfs/dbraw/zinc/26/71/93/494267193.db2.gz MWJAVVPXKCGGPJ-IBGZPJMESA-N 1 0 361.463 3.241 50 0 FGAARO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc2cccnc21 ZINC000012910190 494269175 /nfs/dbraw/zinc/26/91/75/494269175.db2.gz PIGNMHLRDREEDQ-CQSZACIVSA-N 1 0 355.463 3.075 50 0 FGAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000012997745 494274928 /nfs/dbraw/zinc/27/49/28/494274928.db2.gz JJNVMSDRZCIIQB-CQSZACIVSA-N 1 0 351.878 3.001 50 0 FGAARO Cc1cccc(-c2ncc(C[N@H+](CCC(N)=O)Cc3ccccc3)cn2)c1 ZINC000055270800 494320721 /nfs/dbraw/zinc/32/07/21/494320721.db2.gz RCLCVUCDAHSLIZ-UHFFFAOYSA-N 1 0 360.461 3.330 50 0 FGAARO CCCC[N@H+](C)[C@H]1CCc2c(c(C(=O)NC)nn2CCc2ccccc2)C1 ZINC000014743630 494324334 /nfs/dbraw/zinc/32/43/34/494324334.db2.gz BRTXVGIAUHWLBA-SFHVURJKSA-N 1 0 368.525 3.075 50 0 FGAARO CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1ccccn1)CC2 ZINC000014742939 494324558 /nfs/dbraw/zinc/32/45/58/494324558.db2.gz GLOQQISGYDDLLO-UHFFFAOYSA-N 1 0 372.513 3.135 50 0 FGAARO COCC(=O)NC[C@H]1CCC2(CC[NH+](C[C@H](C)CCC=C(C)C)CC2)O1 ZINC000014889030 494327629 /nfs/dbraw/zinc/32/76/29/494327629.db2.gz LBMYFMLTAPGMAZ-RTBURBONSA-N 1 0 366.546 3.145 50 0 FGAARO CC(=O)NCC[NH2+]Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000014952387 494330374 /nfs/dbraw/zinc/33/03/74/494330374.db2.gz BVPXCALMMYOICP-UHFFFAOYSA-N 1 0 362.477 3.382 50 0 FGAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2cccs2)cc1 ZINC000014994843 494333254 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COc1cc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc(OC)c1OC ZINC000019235030 494439889 /nfs/dbraw/zinc/43/98/89/494439889.db2.gz GULIFEJVQYMOAF-UHFFFAOYSA-N 1 0 370.493 3.339 50 0 FGAARO COc1cc(CN2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000019537660 494448636 /nfs/dbraw/zinc/44/86/36/494448636.db2.gz MACPLPUVDKIONW-UHFFFAOYSA-N 1 0 356.466 3.030 50 0 FGAARO CC(C)=CC[N@@H+]1CCN(Cc2nccn2-c2cccc(C)c2)C[C@@H]1CCO ZINC000019720492 494458331 /nfs/dbraw/zinc/45/83/31/494458331.db2.gz GUVYPXVPVQYAGJ-NRFANRHFSA-N 1 0 368.525 3.016 50 0 FGAARO Cc1oc(-c2ccc(F)cc2)nc1CN1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000020864343 494481303 /nfs/dbraw/zinc/48/13/03/494481303.db2.gz NYVHCOQAZSEIHX-LJQANCHMSA-N 1 0 373.472 3.210 50 0 FGAARO O=C1CC[C@@H](C[NH2+]C2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)N1 ZINC000020994428 494484890 /nfs/dbraw/zinc/48/48/90/494484890.db2.gz ZEWWFYBCRKFAHO-FQEVSTJZSA-N 1 0 367.468 3.330 50 0 FGAARO Cc1ccc2[nH]cc(NC(=O)NCCC[N@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000021148767 494489728 /nfs/dbraw/zinc/48/97/28/494489728.db2.gz AHUQKQNHCUYGOB-OAHLLOKOSA-N 1 0 356.470 3.223 50 0 FGAARO C[NH+]1CCN([C@@H](CNC(=O)c2cccc(Cl)c2)c2ccsc2)CC1 ZINC000022765581 494533517 /nfs/dbraw/zinc/53/35/17/494533517.db2.gz XCKQBWSRLLGNCY-KRWDZBQOSA-N 1 0 363.914 3.120 50 0 FGAARO COc1cc(OC)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c(OC)c1 ZINC000022780302 494534485 /nfs/dbraw/zinc/53/44/85/494534485.db2.gz BCHDXRWBWIGDTA-QGZVFWFLSA-N 1 0 356.466 3.077 50 0 FGAARO Cn1cc(C[N@@H+]2CCN(Cc3ccsc3)[C@H](CCO)C2)c2ccccc21 ZINC000022851346 494539223 /nfs/dbraw/zinc/53/92/23/494539223.db2.gz FSLMLNWLHZLVRG-LJQANCHMSA-N 1 0 369.534 3.309 50 0 FGAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000022914832 494541839 /nfs/dbraw/zinc/54/18/39/494541839.db2.gz BNKSIXXULFCRCZ-UHFFFAOYSA-N 1 0 357.885 3.139 50 0 FGAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N(C)Cc3ccoc3)nc2)C1 ZINC000067473392 494548299 /nfs/dbraw/zinc/54/82/99/494548299.db2.gz XPRDRPJCZJGEHL-KRWDZBQOSA-N 1 0 370.497 3.019 50 0 FGAARO Cc1cc(F)ccc1S(=O)(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127614 494551251 /nfs/dbraw/zinc/55/12/51/494551251.db2.gz YITZCJKLOWIDOY-UHFFFAOYSA-N 1 0 354.491 3.067 50 0 FGAARO Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000023133771 494551361 /nfs/dbraw/zinc/55/13/61/494551361.db2.gz HQHPHHRLQUEUNV-KRWDZBQOSA-N 1 0 353.466 3.153 50 0 FGAARO COCC[NH+]1CCC(CNC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023127932 494551674 /nfs/dbraw/zinc/55/16/74/494551674.db2.gz RAYGPPFVPSMHDW-UHFFFAOYSA-N 1 0 366.505 3.371 50 0 FGAARO CSCCC[NH2+]Cc1c(C(=O)N2CCCCC2)nc2c(C)cccn12 ZINC000023214786 494556674 /nfs/dbraw/zinc/55/66/74/494556674.db2.gz XIKURHPQQKQZMB-UHFFFAOYSA-N 1 0 360.527 3.112 50 0 FGAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1 ZINC000023358078 494562064 /nfs/dbraw/zinc/56/20/64/494562064.db2.gz GPVQAEYCYDVNDZ-QFIPXVFZSA-N 1 0 368.521 3.197 50 0 FGAARO C[C@]1(C(=O)N2CCC(c3n[nH]cc3Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000067589092 494576151 /nfs/dbraw/zinc/57/61/51/494576151.db2.gz KNHNSLTVAGJITJ-QFIPXVFZSA-N 1 0 366.509 3.096 50 0 FGAARO c1cc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(c3cnccn3)C4)s2)n[nH]1 ZINC000091269699 494577307 /nfs/dbraw/zinc/57/73/07/494577307.db2.gz MLGHOAUZSODWOH-HUUCEWRRSA-N 1 0 366.494 3.029 50 0 FGAARO COc1ccc([C@H]2CN(C(=O)c3csc4c3CCCC4)C[C@@H]2[NH3+])cc1 ZINC000091426833 494597781 /nfs/dbraw/zinc/59/77/81/494597781.db2.gz AWISBTAJUHVPBM-AEFFLSMTSA-N 1 0 356.491 3.202 50 0 FGAARO CCC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccnn3-c3ccccc3)C2)C1 ZINC000067689050 494612520 /nfs/dbraw/zinc/61/25/20/494612520.db2.gz NGALMHLQBYIDMP-NRFANRHFSA-N 1 0 352.482 3.097 50 0 FGAARO COc1ccccc1C[NH2+]C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067785054 494647310 /nfs/dbraw/zinc/64/73/10/494647310.db2.gz VLSZJETWVMDGBS-JOCHJYFZSA-N 1 0 374.525 3.109 50 0 FGAARO CS(=O)(=O)Cc1ccc(Oc2ccccc2C[NH+]2CCCCC2)nc1 ZINC000067789379 494647985 /nfs/dbraw/zinc/64/79/85/494647985.db2.gz YTNKPIYQCXRYED-UHFFFAOYSA-N 1 0 360.479 3.404 50 0 FGAARO CN1CC2(CCC1=O)CC[NH+](Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000091693795 494648547 /nfs/dbraw/zinc/64/85/47/494648547.db2.gz NDWPUSCVKYLCAY-UHFFFAOYSA-N 1 0 358.526 3.225 50 0 FGAARO CCC[NH+]1CCC(Cc2noc([C@@]34CC[C@@](C)(OC3=O)C4(C)C)n2)CC1 ZINC000067804711 494651409 /nfs/dbraw/zinc/65/14/09/494651409.db2.gz SEKILCTXIMVLPD-UXHICEINSA-N 1 0 361.486 3.107 50 0 FGAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1 ZINC000091708230 494654906 /nfs/dbraw/zinc/65/49/06/494654906.db2.gz JJUAEHJSBWVXMU-PZJWPPBQSA-N 1 0 364.493 3.014 50 0 FGAARO Cc1ccc(C2(C[NH+]3CCCC3)CCN(C(=O)c3ccncc3)CC2)nc1 ZINC000067820413 494656339 /nfs/dbraw/zinc/65/63/39/494656339.db2.gz AHVCBQWANYNYLN-UHFFFAOYSA-N 1 0 364.493 3.055 50 0 FGAARO CCCc1nc(CNc2nc(-c3ccncc3)nc3c2CC[NH2+]C3)cs1 ZINC000067868067 494672196 /nfs/dbraw/zinc/67/21/96/494672196.db2.gz BRBNGKKSPXXSCT-UHFFFAOYSA-N 1 0 366.494 3.205 50 0 FGAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](Cc2ccsc2)CC1 ZINC000091782042 494678593 /nfs/dbraw/zinc/67/85/93/494678593.db2.gz OLAAPFTUEDUVLN-UHFFFAOYSA-N 1 0 370.526 3.292 50 0 FGAARO C[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)[C@@H]1CCc2ccccc21 ZINC000024921287 494678705 /nfs/dbraw/zinc/67/87/05/494678705.db2.gz AHHKTOAATHPPKU-HXUWFJFHSA-N 1 0 367.468 3.094 50 0 FGAARO O=C(COc1ccc(F)cc1Cl)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000024929177 494680380 /nfs/dbraw/zinc/68/03/80/494680380.db2.gz KASZMEFOSUVHNF-INIZCTEOSA-N 1 0 362.832 3.249 50 0 FGAARO Cn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000091808244 494687227 /nfs/dbraw/zinc/68/72/27/494687227.db2.gz ABFYDZALKGMSOI-UHFFFAOYSA-N 1 0 370.888 3.093 50 0 FGAARO CCOC(=O)c1ccc(NNc2cc(C)[nH+]c(C)c2C(=O)OCC)cc1 ZINC000075260164 494714080 /nfs/dbraw/zinc/71/40/80/494714080.db2.gz QKHQJYGQASOXSS-UHFFFAOYSA-N 1 0 357.410 3.491 50 0 FGAARO Cc1cccc2[nH]c(C3CC[NH+](CCC(=O)Nc4cccnc4)CC3)nc21 ZINC000067982717 494717749 /nfs/dbraw/zinc/71/77/49/494717749.db2.gz VSEAZKBLCHBCCG-UHFFFAOYSA-N 1 0 363.465 3.475 50 0 FGAARO C[C@]1(C(=O)NCc2cccnc2Oc2ccc(F)cc2F)CCC[NH2+]C1 ZINC000067983269 494717895 /nfs/dbraw/zinc/71/78/95/494717895.db2.gz ZJVQMQKZIMAART-IBGZPJMESA-N 1 0 361.392 3.158 50 0 FGAARO CCOC(=O)Nc1cccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000025331061 494723457 /nfs/dbraw/zinc/72/34/57/494723457.db2.gz BIYRHNHEUGQODA-INIZCTEOSA-N 1 0 361.467 3.349 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000025419442 494739116 /nfs/dbraw/zinc/73/91/16/494739116.db2.gz GMVVCRQDSRPODK-SFTDATJTSA-N 1 0 368.477 3.277 50 0 FGAARO CCNc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)cn1 ZINC000092097962 494787153 /nfs/dbraw/zinc/78/71/53/494787153.db2.gz BOHHFCGJFNOMCO-NRFANRHFSA-N 1 0 371.529 3.056 50 0 FGAARO COc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793055 494885412 /nfs/dbraw/zinc/88/54/12/494885412.db2.gz YUNOZRJFQNZQBF-NRFANRHFSA-N 1 0 368.477 3.336 50 0 FGAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CC(Oc2ccccc2Cl)C1 ZINC000095518437 494985355 /nfs/dbraw/zinc/98/53/55/494985355.db2.gz CLAHVVSDYPYOLI-OAHLLOKOSA-N 1 0 374.868 3.435 50 0 FGAARO C[N@H+](Cc1cccc(OCC(N)=O)c1)C[C@@]1(c2ccccc2)CC1(C)C ZINC000097529069 495037828 /nfs/dbraw/zinc/03/78/28/495037828.db2.gz LAOFGJBTXHQVGH-JOCHJYFZSA-N 1 0 352.478 3.350 50 0 FGAARO O=C(CN1CCC[C@@H]1c1nnc2ccccn21)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000105936866 495395196 /nfs/dbraw/zinc/39/51/96/495395196.db2.gz HEIOKUFPOGRZEU-OKZBNKHCSA-N 1 0 367.497 3.047 50 0 FGAARO [NH3+][C@@H](CNC(=O)c1oc2ccccc2c1COc1ccccc1)C1CC1 ZINC000137345851 495438062 /nfs/dbraw/zinc/43/80/62/495438062.db2.gz NENJNIIVFUTFCU-SFHVURJKSA-N 1 0 350.418 3.479 50 0 FGAARO Cc1ccc(OC(F)F)c(CNC(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000125469510 495449888 /nfs/dbraw/zinc/44/98/88/495449888.db2.gz BJLGUDWMGKCAAK-UHFFFAOYSA-N 1 0 355.429 3.268 50 0 FGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000106573765 495472429 /nfs/dbraw/zinc/47/24/29/495472429.db2.gz UWILZIVJWSPEOQ-BBRMVZONSA-N 1 0 351.878 3.337 50 0 FGAARO Cc1c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cnn1-c1ccccc1F ZINC000107530083 495528641 /nfs/dbraw/zinc/52/86/41/495528641.db2.gz LTGZWEMCWYAUTG-QGZVFWFLSA-N 1 0 370.472 3.410 50 0 FGAARO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)COCc2ccccc2F)C1(CC)CC ZINC000170599828 495532536 /nfs/dbraw/zinc/53/25/36/495532536.db2.gz RPJDGFRTLMCGAZ-QXAKKESOSA-N 1 0 353.478 3.277 50 0 FGAARO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170677118 495558323 /nfs/dbraw/zinc/55/83/23/495558323.db2.gz RBDFSEIUFIIPBZ-STQMWFEESA-N 1 0 368.359 3.003 50 0 FGAARO CC[C@@H](NCc1nnc(-c2ccccc2)n1C)c1ccc2c(c1)OCCO2 ZINC000180616863 496069623 /nfs/dbraw/zinc/06/96/23/496069623.db2.gz FZZAAFCYCQMGNW-QGZVFWFLSA-N 1 0 364.449 3.494 50 0 FGAARO COc1ccc(CC[C@H]2CCCCN2C(=O)C2CC[NH2+]CC2)cc1OC ZINC000157319449 496453700 /nfs/dbraw/zinc/45/37/00/496453700.db2.gz CCZFVJHOBIQSHB-GOSISDBHSA-N 1 0 360.498 3.017 50 0 FGAARO Cn1nccc1C1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000195504074 496943723 /nfs/dbraw/zinc/94/37/23/496943723.db2.gz KBCCFQCRXUBAAF-UHFFFAOYSA-N 1 0 366.509 3.426 50 0 FGAARO CSCc1nc(CNC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)cs1 ZINC000214972455 496977398 /nfs/dbraw/zinc/97/73/98/496977398.db2.gz GJNWZMXOPORLIE-HNNXBMFYSA-N 1 0 361.536 3.403 50 0 FGAARO CC[N@H+](Cc1c(C)nn(C)c1C)Cc1cc(OC)ccc1-n1cccn1 ZINC000214970697 496977893 /nfs/dbraw/zinc/97/78/93/496977893.db2.gz VIMCCWABQOHKKV-UHFFFAOYSA-N 1 0 353.470 3.253 50 0 FGAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)C1(Cn2ccnc2)CC1 ZINC000219317174 497008420 /nfs/dbraw/zinc/00/84/20/497008420.db2.gz NZYPUBICFJEYJF-IBGZPJMESA-N 1 0 352.482 3.007 50 0 FGAARO CN(C)c1cccc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)c1 ZINC000220256852 497013504 /nfs/dbraw/zinc/01/35/04/497013504.db2.gz QFWGBJJVYBOBLA-UHFFFAOYSA-N 1 0 351.494 3.146 50 0 FGAARO C[NH+]1CCN(CC[C@H]2CCCCN2C(=O)c2c(F)cccc2Cl)CC1 ZINC000220319493 497013819 /nfs/dbraw/zinc/01/38/19/497013819.db2.gz GQNOFFSISLCYBS-OAHLLOKOSA-N 1 0 367.896 3.111 50 0 FGAARO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000225571478 497067619 /nfs/dbraw/zinc/06/76/19/497067619.db2.gz BHEBGMOHDCNWTN-SFHVURJKSA-N 1 0 362.514 3.191 50 0 FGAARO O=C(NCCCc1nc2ccccc2s1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229744415 497100404 /nfs/dbraw/zinc/10/04/04/497100404.db2.gz WIDUSLGQBLRRIO-ZBFHGGJFSA-N 1 0 358.511 3.155 50 0 FGAARO Cc1cc(C)n([C@@H]2CC[N@H+](CCC(=O)Nc3ccc4c(c3)CCC4)C2)n1 ZINC000252481987 497302946 /nfs/dbraw/zinc/30/29/46/497302946.db2.gz CWIOXBSVBVVYKL-HXUWFJFHSA-N 1 0 352.482 3.264 50 0 FGAARO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000252512738 497309597 /nfs/dbraw/zinc/30/95/97/497309597.db2.gz VEVFHJFWLLDSBF-OCCSQVGLSA-N 1 0 357.376 3.186 50 0 FGAARO CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000253370821 497328640 /nfs/dbraw/zinc/32/86/40/497328640.db2.gz WSRQDOAWIDSIPY-YDZRNGNQSA-N 1 0 357.560 3.451 50 0 FGAARO CO[C@@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)c1ccccc1 ZINC000244796202 497371471 /nfs/dbraw/zinc/37/14/71/497371471.db2.gz RUXSJLIFGOPRDM-HXUWFJFHSA-N 1 0 352.478 3.154 50 0 FGAARO CCn1ncc(C[N@H+]2C[C@@H](c3ccncc3)[C@H](COCC3CC3)C2)c1C ZINC000257191860 497388342 /nfs/dbraw/zinc/38/83/42/497388342.db2.gz QBKWOAZFQHAIQE-SFTDATJTSA-N 1 0 354.498 3.249 50 0 FGAARO C[N@@H+]1CCCCC[C@H]1C(=O)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 ZINC000299757307 497913309 /nfs/dbraw/zinc/91/33/09/497913309.db2.gz KYWNSDPEVBMLMT-QUCCMNQESA-N 1 0 365.477 3.043 50 0 FGAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cccc(-c2cnccn2)c1 ZINC000299762574 497915280 /nfs/dbraw/zinc/91/52/80/497915280.db2.gz XHTYHSKKPSRXBR-NRFANRHFSA-N 1 0 372.472 3.363 50 0 FGAARO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N(C)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000299759529 497915357 /nfs/dbraw/zinc/91/53/57/497915357.db2.gz UBUICOVGPFCFGA-KRWDZBQOSA-N 1 0 374.529 3.327 50 0 FGAARO Cc1cccc2[nH]c(CCNC(=O)CCC[NH+]3Cc4ccccc4C3)nc21 ZINC000299770531 497918126 /nfs/dbraw/zinc/91/81/26/497918126.db2.gz SYVCOPMSRDTCFR-UHFFFAOYSA-N 1 0 362.477 3.326 50 0 FGAARO COc1ccc(F)cc1-c1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000299770128 497918626 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CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cc(C)ccc1F)CC2 ZINC000091877211 209002025 /nfs/dbraw/zinc/00/20/25/209002025.db2.gz UMJDEOUFDDAYAZ-UHFFFAOYSA-N 1 0 370.472 3.143 50 0 FGAARO Cc1cccc(-n2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(c3cnccn3)C4)cn2)c1 ZINC000091893857 209003859 /nfs/dbraw/zinc/00/38/59/209003859.db2.gz RJNYQHVCIAJAPB-WIYYLYMNSA-N 1 0 374.492 3.072 50 0 FGAARO O=C1[C@@H](c2ccccc2)CC2(CC[NH+](C3CCOCC3)CC2)CN1C1CC1 ZINC000091819600 208998976 /nfs/dbraw/zinc/99/89/76/208998976.db2.gz IFZOFSVVZUJJND-OAQYLSRUSA-N 1 0 368.521 3.426 50 0 FGAARO CC(C)Cc1cc(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)n(C)n1 ZINC000091931711 209006307 /nfs/dbraw/zinc/00/63/07/209006307.db2.gz IWCVTSDPNIKEON-UHFFFAOYSA-N 1 0 360.527 3.028 50 0 FGAARO C[C@@H](O)C[NH+]1CCC(CN(C)c2ncccc2OCc2ccccc2)CC1 ZINC000095997120 209095632 /nfs/dbraw/zinc/09/56/32/209095632.db2.gz JDTWNCUZFHVMNC-GOSISDBHSA-N 1 0 369.509 3.190 50 0 FGAARO COc1cc2c(cc1C[N@@H+]1CCC[C@](CO)(CC=C(C)C)C1)OCCO2 ZINC000092028726 209012702 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CN1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC000012703811 494251933 /nfs/dbraw/zinc/25/19/33/494251933.db2.gz UVEBOMDKVMPVJY-QGZVFWFLSA-N 1 0 363.933 3.106 50 0 FGAARO O=C(CCC1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1)NC1CC1 ZINC000012756864 494255102 /nfs/dbraw/zinc/25/51/02/494255102.db2.gz SVFACCXNGCSSON-UHFFFAOYSA-N 1 0 369.553 3.422 50 0 FGAARO COc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1O ZINC000012756947 494255154 /nfs/dbraw/zinc/25/51/54/494255154.db2.gz VMZJSBWMQFLWHG-NRFANRHFSA-N 1 0 359.441 3.357 50 0 FGAARO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000012758770 494255382 /nfs/dbraw/zinc/25/53/82/494255382.db2.gz IQDCACKLDXFLCU-ZACQAIPSSA-N 1 0 359.514 3.012 50 0 FGAARO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000012758752 494255569 /nfs/dbraw/zinc/25/55/69/494255569.db2.gz IQDCACKLDXFLCU-IXDOHACOSA-N 1 0 359.514 3.012 50 0 FGAARO COc1cc(/C=C/C(=O)NCCC[N@H+](C)Cc2ccccc2)cc(OC)c1 ZINC000012773123 494257614 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CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]C1CCCC1)C2 ZINC000014748900 494324293 /nfs/dbraw/zinc/32/42/93/494324293.db2.gz SWYIUAPTHSODMH-KRWDZBQOSA-N 1 0 358.530 3.309 50 0 FGAARO C[C@H](CC[NH+]1CCC(n2cc(C(=O)NC3CC3)nn2)CC1)c1ccccc1 ZINC000014961109 494330645 /nfs/dbraw/zinc/33/06/45/494330645.db2.gz RBCFNXYRDCYQKN-MRXNPFEDSA-N 1 0 367.497 3.001 50 0 FGAARO NC(=O)CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1 ZINC000055385387 494335932 /nfs/dbraw/zinc/33/59/32/494335932.db2.gz NMTGCXFTAIBPTK-UHFFFAOYSA-N 1 0 352.413 3.093 50 0 FGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(C)on2)C1 ZINC000015062837 494336577 /nfs/dbraw/zinc/33/65/77/494336577.db2.gz RKEXRAMBOMZUSS-QGZVFWFLSA-N 1 0 371.481 3.018 50 0 FGAARO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1 ZINC000015359539 494350719 /nfs/dbraw/zinc/35/07/19/494350719.db2.gz ISERXWFNUCQIDT-UHFFFAOYSA-N 1 0 350.459 3.146 50 0 FGAARO CCSc1nc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000055575484 494364687 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CCn1c2ccccc2c2cc(NC(=O)CN3CC[NH+](CC)CC3)ccc21 ZINC000023467899 494568100 /nfs/dbraw/zinc/56/81/00/494568100.db2.gz CGQLLDURUKTNPF-UHFFFAOYSA-N 1 0 364.493 3.390 50 0 FGAARO NC(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1Cl ZINC000067659313 494602090 /nfs/dbraw/zinc/60/20/90/494602090.db2.gz NJOHOGUHZDFANN-KRWDZBQOSA-N 1 0 357.841 3.042 50 0 FGAARO COc1coc(C[N@@H+]2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)cc1=O ZINC000091493177 494611087 /nfs/dbraw/zinc/61/10/87/494611087.db2.gz OIWLSROUEQIAMH-NRFANRHFSA-N 1 0 371.433 3.222 50 0 FGAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000091536447 494614990 /nfs/dbraw/zinc/61/49/90/494614990.db2.gz RZMVCDXVLFNLSD-UHFFFAOYSA-N 1 0 368.525 3.129 50 0 FGAARO COCCN(C(=O)c1[nH]c2c(c1C)c(C)ccc2C)C1CC[NH+](C)CC1 ZINC000091593249 494623508 /nfs/dbraw/zinc/62/35/08/494623508.db2.gz LHAOWAGXZQMBPW-UHFFFAOYSA-N 1 0 357.498 3.276 50 0 FGAARO Cc1ccc(C[NH2+]C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)s1 ZINC000067742053 494629788 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Cc1nc2cc(C(=O)N3CCC[N@H+](Cc4cccs4)CC3)ccc2[nH]1 ZINC000077424102 494081184 /nfs/dbraw/zinc/08/11/84/494081184.db2.gz IANORAAAHHXCEG-UHFFFAOYSA-N 1 0 354.479 3.281 50 0 FGAARO CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)CCC[N@@H+]1CC1CC1 ZINC000071416109 494091929 /nfs/dbraw/zinc/09/19/29/494091929.db2.gz LYYGZCMQFFRXPG-NRFANRHFSA-N 1 0 366.509 3.455 50 0 FGAARO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(-n2cccn2)c1 ZINC000071388746 494092278 /nfs/dbraw/zinc/09/22/78/494092278.db2.gz CXGROMRQVIJZIF-GOSISDBHSA-N 1 0 352.482 3.076 50 0 FGAARO O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077485467 494093334 /nfs/dbraw/zinc/09/33/34/494093334.db2.gz QPBAKLJLJPHERQ-UHFFFAOYSA-N 1 0 356.445 3.306 50 0 FGAARO CCCCN1C[C@]2(CCC[N@H+](Cc3cnc(N(C)C)s3)C2)CCC1=O ZINC000077487123 494093974 /nfs/dbraw/zinc/09/39/74/494093974.db2.gz JCERYPASHVJRLS-LJQANCHMSA-N 1 0 364.559 3.214 50 0 FGAARO Cc1cnc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1-c1cnn(C)c1 ZINC000063870301 494096033 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FGAARO O=C(N[C@H]1CC[N@@H+](C2CCCCCC2)C1)[C@@H]1CSc2ccccc2O1 ZINC000071853813 494104992 /nfs/dbraw/zinc/10/49/92/494104992.db2.gz JZCLVGGWTQTSNH-YJBOKZPZSA-N 1 0 360.523 3.453 50 0 FGAARO COc1ccccc1OCC(=O)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000008862655 494107576 /nfs/dbraw/zinc/10/75/76/494107576.db2.gz CJFHLTGQFBWBAE-INIZCTEOSA-N 1 0 360.479 3.089 50 0 FGAARO Fc1cc(CN2CC[NH+](CCc3cccs3)CC2)c2c(c1)COCO2 ZINC000064352024 494116521 /nfs/dbraw/zinc/11/65/21/494116521.db2.gz OFOAQZPGXNRNHY-UHFFFAOYSA-N 1 0 362.470 3.114 50 0 FGAARO C[NH+](C)[C@H](CNc1ncnc2c1cnn2-c1ccccc1)Cc1ccccc1 ZINC000009256029 494118977 /nfs/dbraw/zinc/11/89/77/494118977.db2.gz JXPUELXMJAEKOH-IBGZPJMESA-N 1 0 372.476 3.400 50 0 FGAARO CC(C)[NH+]1CCC(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000053371701 494123748 /nfs/dbraw/zinc/12/37/48/494123748.db2.gz CELRCBYNPNWLBG-UHFFFAOYSA-N 1 0 366.889 3.033 50 0 FGAARO Cc1ncnc(N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1C ZINC000072126599 494129244 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50 0 FGAARO C[C@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@@H](c2ccccc2)O1 ZINC000072289334 494147961 /nfs/dbraw/zinc/14/79/61/494147961.db2.gz DGDQFYRHIKHIAK-ICSRJNTNSA-N 1 0 372.509 3.010 50 0 FGAARO Cc1cc2cccc(C(=O)N3CCC([C@@H](C)[NH+]4CCOCC4)CC3)c2o1 ZINC000072421022 494169049 /nfs/dbraw/zinc/16/90/49/494169049.db2.gz PKOAFEVAWXTSHO-MRXNPFEDSA-N 1 0 356.466 3.314 50 0 FGAARO Cc1ccc(S[C@H](C)C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)cc1 ZINC000072432526 494173964 /nfs/dbraw/zinc/17/39/64/494173964.db2.gz NTMVDFGAPPZQGT-OAHLLOKOSA-N 1 0 355.507 3.141 50 0 FGAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)cc1 ZINC000072439007 494174975 /nfs/dbraw/zinc/17/49/75/494174975.db2.gz HEPPKIVMHJNRCV-UHFFFAOYSA-N 1 0 367.537 3.493 50 0 FGAARO COc1ccc(-c2ccc(CN3CCC([NH+]4CCC(O)CC4)CC3)o2)cc1 ZINC000072454153 494176095 /nfs/dbraw/zinc/17/60/95/494176095.db2.gz IAXFJKWYRYZYHB-UHFFFAOYSA-N 1 0 370.493 3.376 50 0 FGAARO FC(F)(F)Oc1cccc(-n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c1 ZINC000072462671 494177570 /nfs/dbraw/zinc/17/75/70/494177570.db2.gz JXICPTNWLBOCMS-UHFFFAOYSA-N 1 0 363.343 3.128 50 0 FGAARO C[C@@H](C1CCN(Cc2c(Cl)cncc2Cl)CC1)[NH+]1CCOCC1 ZINC000072469000 494178486 /nfs/dbraw/zinc/17/84/86/494178486.db2.gz MDFINBBIIGVGHZ-ZDUSSCGKSA-N 1 0 358.313 3.321 50 0 FGAARO CCc1noc(-c2cccnc2N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000065257894 494183396 /nfs/dbraw/zinc/18/33/96/494183396.db2.gz BLQTXPWVGIJVQO-UHFFFAOYSA-N 1 0 363.465 3.406 50 0 FGAARO Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1C ZINC000053996642 494183505 /nfs/dbraw/zinc/18/35/05/494183505.db2.gz DEEYKDJJYJGYJL-UHFFFAOYSA-N 1 0 365.477 3.253 50 0 FGAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccccc1Cl ZINC000011697782 494187830 /nfs/dbraw/zinc/18/78/30/494187830.db2.gz YUTOARYURKSWBF-UHFFFAOYSA-N 1 0 368.828 3.111 50 0 FGAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)Nc2ccc(Cl)cc2)[nH+]1 ZINC000065365856 494191458 /nfs/dbraw/zinc/19/14/58/494191458.db2.gz AEKMEBBEEFQLSB-UHFFFAOYSA-N 1 0 374.876 3.272 50 0 FGAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+]CCc2csc(-c3ncccn3)n2)cc1 ZINC000065385381 494192231 /nfs/dbraw/zinc/19/22/31/494192231.db2.gz CJILNKABRVEXIF-CQSZACIVSA-N 1 0 367.478 3.068 50 0 FGAARO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN(c2ccc(Cl)nn2)CC1 ZINC000065394069 494192339 /nfs/dbraw/zinc/19/23/39/494192339.db2.gz VQYGUCFPYKICGL-CQSZACIVSA-N 1 0 360.889 3.415 50 0 FGAARO Cc1nc(CNC2CC[NH+](Cc3ccccc3)CC2)nc2c1CCCC2 ZINC000065410787 494193512 /nfs/dbraw/zinc/19/35/12/494193512.db2.gz GRRUAUICYWHYMM-UHFFFAOYSA-N 1 0 350.510 3.418 50 0 FGAARO CCc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000011853283 494193863 /nfs/dbraw/zinc/19/38/63/494193863.db2.gz YWNJPOXJOZYWSS-UHFFFAOYSA-N 1 0 351.494 3.191 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3OC)cc2)CC1 ZINC000011944273 494198248 /nfs/dbraw/zinc/19/82/48/494198248.db2.gz BVOFUOLLOONVEX-UHFFFAOYSA-N 1 0 353.466 3.018 50 0 FGAARO COc1ccc([C@H](CNC(=O)COc2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000012062773 494201330 /nfs/dbraw/zinc/20/13/30/494201330.db2.gz PPAOCDUJEGPPJL-NRFANRHFSA-N 1 0 368.477 3.336 50 0 FGAARO COCC[N@@H+]1CC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000065474655 494201393 /nfs/dbraw/zinc/20/13/93/494201393.db2.gz XMMYDSRTHPXBSW-MRXNPFEDSA-N 1 0 364.917 3.236 50 0 FGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccccn2)C1 ZINC000012076131 494202664 /nfs/dbraw/zinc/20/26/64/494202664.db2.gz ONZWVLWWZBNIEV-GOSISDBHSA-N 1 0 367.493 3.117 50 0 FGAARO CCOc1ncccc1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(C)c1 ZINC000012543219 494240353 /nfs/dbraw/zinc/24/03/53/494240353.db2.gz GVFRYXIIFGNFCZ-UHFFFAOYSA-N 1 0 368.481 3.183 50 0 FGAARO C/C=C(\C)C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1OC)C2=O ZINC000012596120 494245338 /nfs/dbraw/zinc/24/53/38/494245338.db2.gz DVQOCCNGUMNEHU-DHRYHXTASA-N 1 0 372.509 3.485 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000012613183 494247647 /nfs/dbraw/zinc/24/76/47/494247647.db2.gz BBQTYGYDZSOJTF-UHFFFAOYSA-N 1 0 364.371 3.105 50 0 FGAARO C[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)C(=O)Nc1ccc(Cl)cn1 ZINC000012805436 494261033 /nfs/dbraw/zinc/26/10/33/494261033.db2.gz PNHNZQBYWPOLHE-CQSZACIVSA-N 1 0 369.856 3.097 50 0 FGAARO O=C(C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000065967337 494262924 /nfs/dbraw/zinc/26/29/24/494262924.db2.gz ITTOUTLROIPKEH-GDOTUDRGSA-N 1 0 367.537 3.140 50 0 FGAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000054805876 494273067 /nfs/dbraw/zinc/27/30/67/494273067.db2.gz UMGHEPOAVQTVIG-OALUTQOASA-N 1 0 372.557 3.323 50 0 FGAARO C[C@H]1CCCC[C@H]1[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000054991988 494288792 /nfs/dbraw/zinc/28/87/92/494288792.db2.gz PDHLQUNPOUNMNZ-WMLDXEAASA-N 1 0 356.919 3.225 50 0 FGAARO COc1ccc([C@H](C[NH2+][C@@H](C)CC(N)=O)c2c[nH]c3ccccc32)cc1 ZINC000014160908 494306735 /nfs/dbraw/zinc/30/67/35/494306735.db2.gz IHAJWOVNKRISCN-KSSFIOAISA-N 1 0 351.450 3.162 50 0 FGAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000089522389 494320986 /nfs/dbraw/zinc/32/09/86/494320986.db2.gz JGMBCUJRXHYNIH-KSSFIOAISA-N 1 0 353.470 3.190 50 0 FGAARO CC[C@@H](CO)[N@H+](Cc1cc(C)c(OC(C)=O)c(C)c1)Cc1ccccn1 ZINC000055307309 494325578 /nfs/dbraw/zinc/32/55/78/494325578.db2.gz FVECVSSACAGASE-FQEVSTJZSA-N 1 0 356.466 3.397 50 0 FGAARO CN(Cc1nc(-c2ccc3c(c2)OCO3)no1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000014974485 494331760 /nfs/dbraw/zinc/33/17/60/494331760.db2.gz YZQGHUHBJVNLRX-UHFFFAOYSA-N 1 0 372.469 3.206 50 0 FGAARO COCCN1CC[N@H+](Cc2ccc(-c3ccccc3C)cc2)CCC1=O ZINC000014995720 494333164 /nfs/dbraw/zinc/33/31/64/494333164.db2.gz LNYOZBXNGRHIKP-UHFFFAOYSA-N 1 0 352.478 3.343 50 0 FGAARO O=C(CC[NH+]1CCCCCCC1)NCc1ccccc1CN1CCCC1=O ZINC000055393313 494337039 /nfs/dbraw/zinc/33/70/39/494337039.db2.gz YYRZRBWLNNHGGG-UHFFFAOYSA-N 1 0 371.525 3.081 50 0 FGAARO COc1cccc(CN2C(=O)OC3(CC(C)(C)[NH2+]C(C)(C)C3)[C@@]2(C)O)c1 ZINC000015106117 494340264 /nfs/dbraw/zinc/34/02/64/494340264.db2.gz VTRYFHQNYDJELF-LJQANCHMSA-N 1 0 362.470 3.035 50 0 FGAARO CC[NH+](CC)Cc1ccc(CNC(=O)COc2ccccc2OC)cc1 ZINC000015617259 494362398 /nfs/dbraw/zinc/36/23/98/494362398.db2.gz JIRXIQKZLGOFNL-UHFFFAOYSA-N 1 0 356.466 3.232 50 0 FGAARO COC(=O)c1cccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c1 ZINC000015866520 494370868 /nfs/dbraw/zinc/37/08/68/494370868.db2.gz FMBXTKJNTCSPRS-UHFFFAOYSA-N 1 0 373.497 3.449 50 0 FGAARO CCOC(=O)c1ccc(NC(=S)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000016274693 494382769 /nfs/dbraw/zinc/38/27/69/494382769.db2.gz BGYJGDUKJAXFGL-SFHVURJKSA-N 1 0 371.506 3.453 50 0 FGAARO CCC[C@H](C[NH2+]Cc1cc(OC)cc(OC)c1)NC(=O)OC(C)(C)C ZINC000089949516 494409866 /nfs/dbraw/zinc/40/98/66/494409866.db2.gz UXLAPDSRNYKBPK-OAHLLOKOSA-N 1 0 352.475 3.487 50 0 FGAARO COc1ccc2[nH]cc([C@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)c2c1 ZINC000019371849 494443556 /nfs/dbraw/zinc/44/35/56/494443556.db2.gz WSTXBNSQGWEFDQ-JOCHJYFZSA-N 1 0 365.477 3.028 50 0 FGAARO COc1cc(CN2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc(OC)c1OC ZINC000019496022 494446180 /nfs/dbraw/zinc/44/61/80/494446180.db2.gz FOBJMCDAWKXSBE-FUHWJXTLSA-N 1 0 362.514 3.409 50 0 FGAARO Cc1cc(NC(=O)CC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1Br ZINC000019841378 494461489 /nfs/dbraw/zinc/46/14/89/494461489.db2.gz IIHAYSGNFIHOLH-STQMWFEESA-N 1 0 355.276 3.195 50 0 FGAARO COCCn1cc(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21 ZINC000079482088 494462660 /nfs/dbraw/zinc/46/26/60/494462660.db2.gz FLOLVVQVIPTMER-UHFFFAOYSA-N 1 0 371.525 3.256 50 0 FGAARO COc1cccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c1 ZINC000020149234 494468944 /nfs/dbraw/zinc/46/89/44/494468944.db2.gz MIIKBZFPWMVJOB-UHFFFAOYSA-N 1 0 362.477 3.130 50 0 FGAARO Cc1cc(Cl)cc(Br)c1OCCCN1CC[NH+](C)CC1 ZINC000020639309 494479209 /nfs/dbraw/zinc/47/92/09/494479209.db2.gz SXZHANCVSDNDPM-UHFFFAOYSA-N 1 0 361.711 3.427 50 0 FGAARO CC[C@H](CO)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000020927181 494484260 /nfs/dbraw/zinc/48/42/60/494484260.db2.gz FDZRJLFXRAHTCQ-SECBINFHSA-N 1 0 367.081 3.081 50 0 FGAARO Cc1ccc([C@H](CNC(=O)Nc2cccc(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022582352 494527499 /nfs/dbraw/zinc/52/74/99/494527499.db2.gz LYKVGFLGNGFNOS-NRFANRHFSA-N 1 0 366.509 3.414 50 0 FGAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000022694053 494531396 /nfs/dbraw/zinc/53/13/96/494531396.db2.gz DXPRAZAYOAIYKJ-SFHVURJKSA-N 1 0 352.478 3.025 50 0 FGAARO COC(=O)c1ccccc1OCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000022861165 494538185 /nfs/dbraw/zinc/53/81/85/494538185.db2.gz YPOGXLSHDBFTOH-UHFFFAOYSA-N 1 0 368.477 3.060 50 0 FGAARO COc1cc(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1 ZINC000022925121 494541615 /nfs/dbraw/zinc/54/16/15/494541615.db2.gz SJDWRRMRWDPQLX-OAQYLSRUSA-N 1 0 374.456 3.006 50 0 FGAARO C[N@H+](Cc1ccccc1OCCO)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000022919176 494541724 /nfs/dbraw/zinc/54/17/24/494541724.db2.gz PIKXYCRPAADSMP-HXUWFJFHSA-N 1 0 372.484 3.293 50 0 FGAARO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CCc3ccccc3)CC2)c(C)c1 ZINC000022930782 494542178 /nfs/dbraw/zinc/54/21/78/494542178.db2.gz QLWFDNOVWKMBHE-HXUWFJFHSA-N 1 0 365.521 3.491 50 0 FGAARO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022931119 494543123 /nfs/dbraw/zinc/54/31/23/494543123.db2.gz PRFIUZFLZLVLMB-MRXNPFEDSA-N 1 0 373.447 3.152 50 0 FGAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]CC1CCCCC1 ZINC000067606011 494580022 /nfs/dbraw/zinc/58/00/22/494580022.db2.gz MGTDXHSVAKNNBD-QFIPXVFZSA-N 1 0 358.526 3.143 50 0 FGAARO CCCOc1ccc2ccccc2c1CN1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091426642 494597243 /nfs/dbraw/zinc/59/72/43/494597243.db2.gz NIYXSTIASPTBNW-AVRDEDQJSA-N 1 0 354.494 3.175 50 0 FGAARO COc1cc(C)ccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000091441128 494599510 /nfs/dbraw/zinc/59/95/10/494599510.db2.gz SMAUQJNKRWBMKC-YLJYHZDGSA-N 1 0 365.477 3.135 50 0 FGAARO OC[C@H]1CN(c2nc3ccc(Cl)cc3s2)C[C@H]1C[NH+]1CCCC1 ZINC000091468473 494605513 /nfs/dbraw/zinc/60/55/13/494605513.db2.gz OKOZIEPQJYAJRJ-CHWSQXEVSA-N 1 0 351.903 3.090 50 0 FGAARO COc1cc2cc(C[N@@H+]3CCC[C@H]3c3cc(C)no3)c(=O)[nH]c2cc1OC ZINC000067696115 494613978 /nfs/dbraw/zinc/61/39/78/494613978.db2.gz OJOSPCDXZZQEJI-INIZCTEOSA-N 1 0 369.421 3.179 50 0 FGAARO CC(=O)Nc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1 ZINC000091547735 494614170 /nfs/dbraw/zinc/61/41/70/494614170.db2.gz VVDLIODXUGASFF-RBBKRZOGSA-N 1 0 364.493 3.136 50 0 FGAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[NH2+]Cc1ccccc1 ZINC000057050897 494629453 /nfs/dbraw/zinc/62/94/53/494629453.db2.gz QXQRQHDVANZUSJ-UHFFFAOYSA-N 1 0 369.396 3.212 50 0 FGAARO Cc1noc(C)c1CN1CC2(CC1=O)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000091637060 494637312 /nfs/dbraw/zinc/63/73/12/494637312.db2.gz UQCQSWMBLMCYFH-UHFFFAOYSA-N 1 0 371.456 3.445 50 0 FGAARO Cc1nc(NCc2c[nH]nc2-c2cccs2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000067787064 494646464 /nfs/dbraw/zinc/64/64/64/494646464.db2.gz XZFIPHLUJLSLQP-CYBMUJFWSA-N 1 0 354.483 3.316 50 0 FGAARO C[C@H](C[NH3+])C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067788729 494648519 /nfs/dbraw/zinc/64/85/19/494648519.db2.gz SNPSMBWSZNQKRC-LLVKDONJSA-N 1 0 353.344 3.104 50 0 FGAARO COc1ccc(Cn2cc(-c3cc(F)cc4c3O[C@@H](C[NH3+])C4)cn2)cc1 ZINC000067804339 494651260 /nfs/dbraw/zinc/65/12/60/494651260.db2.gz BQQGTRHQIVXAFY-GOSISDBHSA-N 1 0 353.397 3.008 50 0 FGAARO COc1ccc(Cn2cc(-c3cc(F)cc4c3O[C@H](C[NH3+])C4)cn2)cc1 ZINC000067804338 494651852 /nfs/dbraw/zinc/65/18/52/494651852.db2.gz BQQGTRHQIVXAFY-SFHVURJKSA-N 1 0 353.397 3.008 50 0 FGAARO CN(Cc1nc2ccccc2[nH]1)Cc1cccc(C(=O)Nc2ccnn2C)c1 ZINC000067872764 494673942 /nfs/dbraw/zinc/67/39/42/494673942.db2.gz DGSATHVZFVRGGL-UHFFFAOYSA-N 1 0 374.448 3.181 50 0 FGAARO C[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)[C@H]1CCc2ccccc21 ZINC000024921292 494678476 /nfs/dbraw/zinc/67/84/76/494678476.db2.gz AHHKTOAATHPPKU-FQEVSTJZSA-N 1 0 367.468 3.094 50 0 FGAARO CC[C@@H]1CN(C(=O)c2ccc(-c3ccc(OC)nc3)nc2)CC[N@@H+]1C(C)C ZINC000067934335 494698163 /nfs/dbraw/zinc/69/81/63/494698163.db2.gz DIJCWQDVOWSPRP-GOSISDBHSA-N 1 0 368.481 3.097 50 0 FGAARO CCn1cc(C2=CC[N@H+](CCC(=O)Nc3cc(F)ccc3C)CC2)cn1 ZINC000067935180 494698886 /nfs/dbraw/zinc/69/88/86/494698886.db2.gz XWKMRDYQXCGDJD-UHFFFAOYSA-N 1 0 356.445 3.468 50 0 FGAARO c1cnn(C[C@H]2CCC[N@@H+]2Cc2cnc3c(-c4ccccc4)cnn3c2)c1 ZINC000067955258 494706999 /nfs/dbraw/zinc/70/69/99/494706999.db2.gz OHSYFGXUFRKEMQ-LJQANCHMSA-N 1 0 358.449 3.257 50 0 FGAARO C[NH2+]CCN(C)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)cn1 ZINC000067956191 494707624 /nfs/dbraw/zinc/70/76/24/494707624.db2.gz VNQTWJPYFQBKTG-IBGZPJMESA-N 1 0 366.509 3.147 50 0 FGAARO Cc1ccc(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)o1 ZINC000091859465 494708170 /nfs/dbraw/zinc/70/81/70/494708170.db2.gz BLKMZLZLLNEMHL-UHFFFAOYSA-N 1 0 366.469 3.139 50 0 FGAARO CC[N@H+](Cc1cccc(C(=O)Nc2nnc(C)s2)c1)[C@@H]1CCCC[C@H]1O ZINC000067967944 494712349 /nfs/dbraw/zinc/71/23/49/494712349.db2.gz SPZHKPIHPBJIGZ-IAGOWNOFSA-N 1 0 374.510 3.224 50 0 FGAARO Cc1ccsc1-c1nc(C[N@@H+](C)CC2(CO)CCOCC2)c(C)o1 ZINC000067966660 494712947 /nfs/dbraw/zinc/71/29/47/494712947.db2.gz CZQHKFHFEZHZDC-UHFFFAOYSA-N 1 0 350.484 3.241 50 0 FGAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 ZINC000057383469 494729224 /nfs/dbraw/zinc/72/92/24/494729224.db2.gz JNQKLSIINFTHAM-SFHVURJKSA-N 1 0 359.857 3.364 50 0 FGAARO Clc1cc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc2c1OCCCO2 ZINC000026305187 494815645 /nfs/dbraw/zinc/81/56/45/494815645.db2.gz BFMDGDSPVQNQJR-CQSZACIVSA-N 1 0 361.825 3.431 50 0 FGAARO CCCC[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)[C@H](C)CC ZINC000026650024 494833853 /nfs/dbraw/zinc/83/38/53/494833853.db2.gz RIPGKCGBCRFWBC-CQSZACIVSA-N 1 0 351.516 3.103 50 0 FGAARO COc1ccc(C)nc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000127013900 494879500 /nfs/dbraw/zinc/87/95/00/494879500.db2.gz ALVDWONZXQPRHE-OAHLLOKOSA-N 1 0 369.469 3.141 50 0 FGAARO COc1ccccc1-n1nc(CC2CC[NH+](C)CC2)nc1-c1ocnc1C ZINC000096150572 495004721 /nfs/dbraw/zinc/00/47/21/495004721.db2.gz UBRZELKFYORXKE-UHFFFAOYSA-N 1 0 367.453 3.124 50 0 FGAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2CCO)cc1C ZINC000104553910 495290705 /nfs/dbraw/zinc/29/07/05/495290705.db2.gz GCYFEUOZQOOGIZ-OAQYLSRUSA-N 1 0 372.484 3.212 50 0 FGAARO CCN(CCC[NH+](C)C)C(=O)c1nn(-c2ccccc2C)c2c1CCC2 ZINC000170605687 495533612 /nfs/dbraw/zinc/53/36/12/495533612.db2.gz CANSYKWXTBJWGI-UHFFFAOYSA-N 1 0 354.498 3.083 50 0 FGAARO CC[N@H+](Cc1ccc(C(=O)NC[C@]2(O)CCc3ccccc32)cc1)C(C)C ZINC000158574583 495541831 /nfs/dbraw/zinc/54/18/31/495541831.db2.gz XTGULOITGLRFRG-HSZRJFAPSA-N 1 0 366.505 3.481 50 0 FGAARO Cc1noc(-c2cccnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1 ZINC000185476396 495591925 /nfs/dbraw/zinc/59/19/25/495591925.db2.gz DLCBOWLQVZULNG-ZDUSSCGKSA-N 1 0 355.467 3.385 50 0 FGAARO O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174554754 496006951 /nfs/dbraw/zinc/00/69/51/496006951.db2.gz RMIDCECZMNIVJO-INIZCTEOSA-N 1 0 372.900 3.474 50 0 FGAARO OCCC[NH2+]Cc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000247802326 496916463 /nfs/dbraw/zinc/91/64/63/496916463.db2.gz WPEOZNRAMVOGHY-UHFFFAOYSA-N 1 0 374.847 3.258 50 0 FGAARO Cc1nn(CC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c(C)c1C ZINC000215045272 496977352 /nfs/dbraw/zinc/97/73/52/496977352.db2.gz LNAKFWWPYMUTMY-UHFFFAOYSA-N 1 0 368.525 3.227 50 0 FGAARO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)o2)cc1 ZINC000215189361 496978489 /nfs/dbraw/zinc/97/84/89/496978489.db2.gz FXYKSXWISOTEJA-GOSISDBHSA-N 1 0 370.493 3.499 50 0 FGAARO Cc1ccccc1-c1ncc(CN2CCOc3ccc(CO)cc3C2)cn1 ZINC000215288446 496979442 /nfs/dbraw/zinc/97/94/42/496979442.db2.gz VWLNUTZEEDPDBL-UHFFFAOYSA-N 1 0 361.445 3.339 50 0 FGAARO COc1ccc(-c2ncc(CN3CCC[C@H](c4noc(C)n4)C3)cn2)cc1 ZINC000215405669 496979910 /nfs/dbraw/zinc/97/99/10/496979910.db2.gz QVBHDKAPABASBS-KRWDZBQOSA-N 1 0 365.437 3.223 50 0 FGAARO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000216154237 496986638 /nfs/dbraw/zinc/98/66/38/496986638.db2.gz CVKATFAXOVAMSL-IBGZPJMESA-N 1 0 360.498 3.079 50 0 FGAARO COc1ccc2[nH]c(C[NH+]3CCC(c4ccnc(N)n4)CC3)c(C)c2c1 ZINC000216497158 496989243 /nfs/dbraw/zinc/98/92/43/496989243.db2.gz WSHJMBJTBGCRLN-UHFFFAOYSA-N 1 0 351.454 3.237 50 0 FGAARO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229355837 497096733 /nfs/dbraw/zinc/09/67/33/497096733.db2.gz VBECOOALJFAVJY-UFYCRDLUSA-N 1 0 357.542 3.369 50 0 FGAARO CCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H]4CCCC[C@H]43)C2=O)cc1 ZINC000229970102 497101063 /nfs/dbraw/zinc/10/10/63/497101063.db2.gz RIHKIVILVWMRSX-IPELMVKDSA-N 1 0 356.466 3.372 50 0 FGAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000230065948 497101382 /nfs/dbraw/zinc/10/13/82/497101382.db2.gz XZNZTQSVYXEKNL-WBVHZDCISA-N 1 0 352.862 3.321 50 0 FGAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000237528964 497251443 /nfs/dbraw/zinc/25/14/43/497251443.db2.gz CJOIMNLKBVELNU-GWCFXTLKSA-N 1 0 353.253 3.131 50 0 FGAARO C[N@H+](CCC(=O)Nc1ccc2c(c1)CCC2)C[C@@H]1Cc2ccccc2O1 ZINC000252479767 497302879 /nfs/dbraw/zinc/30/28/79/497302879.db2.gz BMRONGSLTUHBFX-FQEVSTJZSA-N 1 0 350.462 3.439 50 0 FGAARO COc1ccc2c(c1OC)CC[C@H]2[NH2+]CCN1CCc2sccc2C1 ZINC000252483212 497303445 /nfs/dbraw/zinc/30/34/45/497303445.db2.gz DXIWKNTVGARHFP-QGZVFWFLSA-N 1 0 358.507 3.401 50 0 FGAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000252490007 497304857 /nfs/dbraw/zinc/30/48/57/497304857.db2.gz KHDVDFGULWWXNJ-UHFFFAOYSA-N 1 0 354.498 3.408 50 0 FGAARO CC(C)(C)c1oc(C(N)=O)cc1C[NH+]1CCC([C@@H](O)c2ccccn2)CC1 ZINC000252500785 497307315 /nfs/dbraw/zinc/30/73/15/497307315.db2.gz TVIPYXBUKXZVFQ-GOSISDBHSA-N 1 0 371.481 3.017 50 0 FGAARO COc1cccc(C(=O)Nc2cc(C)cc(N3CC[NH+](C)CC3)c2)c1F ZINC000252510921 497309302 /nfs/dbraw/zinc/30/93/02/497309302.db2.gz ZRKNSOSBBVCPAY-UHFFFAOYSA-N 1 0 357.429 3.147 50 0 FGAARO Cc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1N1CC[C@@H]([NH+](C)C)C1 ZINC000252587020 497311893 /nfs/dbraw/zinc/31/18/93/497311893.db2.gz VDRSSIKTHDYKJH-DZGCQCFKSA-N 1 0 373.419 3.041 50 0 FGAARO [NH3+]Cc1ccc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)o1 ZINC000237956741 497320463 /nfs/dbraw/zinc/32/04/63/497320463.db2.gz AYTGCZLXZJUTHB-HNNXBMFYSA-N 1 0 373.211 3.398 50 0 FGAARO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC000253397674 497330704 /nfs/dbraw/zinc/33/07/04/497330704.db2.gz USQCAJDOUHWWSZ-GOEBONIOSA-N 1 0 353.846 3.338 50 0 FGAARO C[C@H](c1cccnc1)N1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000193250436 497334301 /nfs/dbraw/zinc/33/43/01/497334301.db2.gz NNWSONVOLWFTRD-GOSISDBHSA-N 1 0 351.494 3.328 50 0 FGAARO CC(C)c1noc([C@@H]2CCCCN2C(=O)CSCC[NH+]2CCCC2)n1 ZINC000243893664 497361900 /nfs/dbraw/zinc/36/19/00/497361900.db2.gz ATFBAKQDPOGFEW-HNNXBMFYSA-N 1 0 366.531 3.076 50 0 FGAARO CCc1c2ccccc2[nH]c1C(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000243915050 497362155 /nfs/dbraw/zinc/36/21/55/497362155.db2.gz BMEQYVWTLPLLFW-QGZVFWFLSA-N 1 0 369.509 3.447 50 0 FGAARO COCCc1noc([C@H]2CCCCN2Cc2cc(-c3ccncc3)no2)n1 ZINC000244659502 497366487 /nfs/dbraw/zinc/36/64/87/497366487.db2.gz HDTFRVDHUJWDBN-QGZVFWFLSA-N 1 0 369.425 3.036 50 0 FGAARO O=C(NCCC[N@H+]1CCC[C@H](CO)C1)c1ccc(-c2cccc(F)c2)cc1 ZINC000244773899 497370077 /nfs/dbraw/zinc/37/00/77/497370077.db2.gz PILUBWBXVAAGTL-KRWDZBQOSA-N 1 0 370.468 3.317 50 0 FGAARO CN(Cc1ccc2nsnc2c1)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244748696 497370087 /nfs/dbraw/zinc/37/00/87/497370087.db2.gz OMPMAOAYGPMYLT-OKILXGFUSA-N 1 0 366.494 3.200 50 0 FGAARO CCc1cccc(C)c1NC(=O)CC[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000244899916 497374648 /nfs/dbraw/zinc/37/46/48/497374648.db2.gz ZSSRLAMUJPOWPQ-SFHVURJKSA-N 1 0 354.498 3.499 50 0 FGAARO O[C@@]1(c2ccccn2)CCOC2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000257175289 497384337 /nfs/dbraw/zinc/38/43/37/497384337.db2.gz OPBQKXUYVUBRNZ-NRFANRHFSA-N 1 0 356.441 3.254 50 0 FGAARO Cc1noc([C@@]23C[N@@H+](Cc4ccccc4)C[C@@H]2CCN(CC(C)C)C3)n1 ZINC000257193015 497388379 /nfs/dbraw/zinc/38/83/79/497388379.db2.gz REKBOGKKYXNDPJ-FPOVZHCZSA-N 1 0 354.498 3.110 50 0 FGAARO COC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)CCC1(F)F ZINC000257193865 497389151 /nfs/dbraw/zinc/38/91/51/497389151.db2.gz ZYNWRLZHNSWHJC-OAHLLOKOSA-N 1 0 351.397 3.189 50 0 FGAARO CCc1cc(C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)n[nH]1 ZINC000190789432 497603959 /nfs/dbraw/zinc/60/39/59/497603959.db2.gz FZDMVXXKLDZNJQ-UHFFFAOYSA-N 1 0 355.486 3.063 50 0 FGAARO CCN(C)c1ccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)cn1 ZINC000191303804 497774306 /nfs/dbraw/zinc/77/43/06/497774306.db2.gz AJGPJMAYJFTVDE-UHFFFAOYSA-N 1 0 368.525 3.354 50 0 FGAARO CCNC(=O)c1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)c1C ZINC000299755881 497913251 /nfs/dbraw/zinc/91/32/51/497913251.db2.gz FXIRTVIYFRLBTL-QGZVFWFLSA-N 1 0 372.513 3.227 50 0 FGAARO C[N@@H+](Cc1cc(-c2ccncc2)no1)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299764224 497915957 /nfs/dbraw/zinc/91/59/57/497915957.db2.gz SBFHRPKUACGKPW-INIZCTEOSA-N 1 0 362.433 3.222 50 0 FGAARO Cc1ccc2nc(N(C)Cc3cc[nH]n3)c(C[NH2+]C[C@@H]3CCCO3)cc2c1 ZINC000299770349 497918881 /nfs/dbraw/zinc/91/88/81/497918881.db2.gz SCAKAXFVKAJPBU-IBGZPJMESA-N 1 0 365.481 3.171 50 0 FGAARO C[C@@H](CCC(=O)NCc1ccc(-c2ccc(F)cc2)o1)[NH+]1CCOCC1 ZINC000299792591 497924814 /nfs/dbraw/zinc/92/48/14/497924814.db2.gz FGFQSLPDKANAQU-HNNXBMFYSA-N 1 0 360.429 3.203 50 0 FGAARO COc1c[nH]c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cc1=O ZINC000299792927 497925771 /nfs/dbraw/zinc/92/57/71/497925771.db2.gz GSGWUUWDQSADJN-SFHVURJKSA-N 1 0 369.465 3.143 50 0 FGAARO Fc1ccc(CN2CC(c3noc([C@H]4CCC[N@@H+]4CC4CC4)n3)C2)c(F)c1 ZINC000575541219 505979333 /nfs/dbraw/zinc/97/93/33/505979333.db2.gz ADKDCDKVOHXINS-GOSISDBHSA-N 1 0 374.435 3.494 50 0 FGAARO Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC000575549665 505980430 /nfs/dbraw/zinc/98/04/30/505980430.db2.gz PQZGKYSDRGUSIE-LJQANCHMSA-N 1 0 371.456 3.241 50 0 FGAARO Cc1c(C[N@@H+]2CCCC[C@@H]2CCn2cc(-c3ccccc3)nn2)cnn1C ZINC000575556067 505981048 /nfs/dbraw/zinc/98/10/48/505981048.db2.gz LPQHHUAWTXCWJK-HXUWFJFHSA-N 1 0 364.497 3.432 50 0 FGAARO Cc1nn(C)cc1C[N@@H+]1CCCC[C@H]1CCn1cc(-c2ccccc2)nn1 ZINC000575555421 505981374 /nfs/dbraw/zinc/98/13/74/505981374.db2.gz DTCJTUSXFSVBAG-FQEVSTJZSA-N 1 0 364.497 3.432 50 0 FGAARO Cn1nc(C(C)(C)C)cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000331680241 498418531 /nfs/dbraw/zinc/41/85/31/498418531.db2.gz QJVIOGXUGYKGEZ-UHFFFAOYSA-N 1 0 374.554 3.421 50 0 FGAARO Cn1c(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)nc2c1cccc2F ZINC000333090403 498896809 /nfs/dbraw/zinc/89/68/09/498896809.db2.gz ZIOWSFRZLXEALI-GOSISDBHSA-N 1 0 372.488 3.168 50 0 FGAARO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC12CCOCC2 ZINC000333288443 498966847 /nfs/dbraw/zinc/96/68/47/498966847.db2.gz ZNQNWIVHFSUAMD-RBUKOAKNSA-N 1 0 371.525 3.155 50 0 FGAARO CC(C)(CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1=CCCC1 ZINC000333607173 499040912 /nfs/dbraw/zinc/04/09/12/499040912.db2.gz DNGQIBVSQNXCCS-RTBURBONSA-N 1 0 363.546 3.190 50 0 FGAARO COC[C@@]1(O)CCOC2(CC[NH+](Cc3ccc(F)cc3Cl)CC2)C1 ZINC000409420347 499596109 /nfs/dbraw/zinc/59/61/09/499596109.db2.gz CYWQCNSSUCBKEK-QGZVFWFLSA-N 1 0 357.853 3.002 50 0 FGAARO C[NH2+]Cc1nnc(SCC[C@H]2CC2(F)F)n1-c1cccc(OC)c1 ZINC000426485546 500278126 /nfs/dbraw/zinc/27/81/26/500278126.db2.gz HSRUDOFUXQQCDY-NSHDSACASA-N 1 0 354.426 3.133 50 0 FGAARO Nc1ncccc1C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000426500057 500280585 /nfs/dbraw/zinc/28/05/85/500280585.db2.gz FXARAGBNFRFVCK-OAQYLSRUSA-N 1 0 356.514 3.059 50 0 FGAARO Cc1cc2nc(CNC(=O)N3CCCC[C@H]3C[NH+]3CCCC3)[nH]c2cc1C ZINC000426523249 500284792 /nfs/dbraw/zinc/28/47/92/500284792.db2.gz UUEGUHXYRADVJV-KRWDZBQOSA-N 1 0 369.513 3.340 50 0 FGAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccc(-c2ccccc2O)cc1 ZINC000426533684 500286100 /nfs/dbraw/zinc/28/61/00/500286100.db2.gz CQOPDQMTENGEPG-PMACEKPBSA-N 1 0 366.461 3.042 50 0 FGAARO OCCn1ccc([C@@H]2CCC[N@H+](Cc3csc(-c4ccccc4)n3)C2)n1 ZINC000426534365 500286561 /nfs/dbraw/zinc/28/65/61/500286561.db2.gz CZSFRJWPYYKICH-QGZVFWFLSA-N 1 0 368.506 3.379 50 0 FGAARO Cc1ccc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)c(OCCC[NH3+])c1 ZINC000426538358 500287117 /nfs/dbraw/zinc/28/71/17/500287117.db2.gz IXZOMSNTWPAZST-INIZCTEOSA-N 1 0 367.371 3.151 50 0 FGAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000426548589 500288238 /nfs/dbraw/zinc/28/82/38/500288238.db2.gz TZOJNNBMBCJVPO-CYBMUJFWSA-N 1 0 363.893 3.088 50 0 FGAARO C[N@@H+]1CCCN(C(=O)N[C@@H](c2ccncc2)c2ccc(Cl)cc2)CC1 ZINC000426612752 500294859 /nfs/dbraw/zinc/29/48/59/500294859.db2.gz ZIXYEGOICNBCDH-GOSISDBHSA-N 1 0 358.873 3.172 50 0 FGAARO CN(Cc1cccc(O)c1)C(=O)NCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000426697280 500307739 /nfs/dbraw/zinc/30/77/39/500307739.db2.gz DRUYFFZWXHYBHQ-FQEVSTJZSA-N 1 0 367.493 3.413 50 0 FGAARO CN(Cc1cc(-c2ccccc2)on1)C(=O)NCC[C@H]1CCCC[N@@H+]1C ZINC000426712163 500309935 /nfs/dbraw/zinc/30/99/35/500309935.db2.gz OQIYJTWGUVTSBN-GOSISDBHSA-N 1 0 356.470 3.357 50 0 FGAARO CN(Cc1cccc2cnccc21)C(=O)NC1(C[NH+]2CCCCC2)CC1 ZINC000534577248 504180773 /nfs/dbraw/zinc/18/07/73/504180773.db2.gz XKEKSYXHQQHEBQ-UHFFFAOYSA-N 1 0 352.482 3.395 50 0 FGAARO O=C(NC1(C[NH+]2CCCC2)CCCCC1)N1CC[C@@](O)(c2ccccc2)C1 ZINC000534651145 504202879 /nfs/dbraw/zinc/20/28/79/504202879.db2.gz RHPJFDVYORRREX-QFIPXVFZSA-N 1 0 371.525 3.088 50 0 FGAARO O=C(NCC[NH+]1CCCCCC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000534656597 504205220 /nfs/dbraw/zinc/20/52/20/504205220.db2.gz PDYAJQUHSDGTQH-GOSISDBHSA-N 1 0 365.905 3.299 50 0 FGAARO CN(C(=O)/C=C\c1ccc(Oc2cccnc2)c(F)c1)C1CC[NH2+]CC1 ZINC000606441254 507403735 /nfs/dbraw/zinc/40/37/35/507403735.db2.gz KNONFELXWQHPJJ-ALCCZGGFSA-N 1 0 355.413 3.237 50 0 FGAARO Cc1nc(COc2ccccc2/C=C\C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cs1 ZINC000606442068 507406649 /nfs/dbraw/zinc/40/66/49/507406649.db2.gz MBMGVWZDVVJFJD-DASIODGOSA-N 1 0 371.506 3.382 50 0 FGAARO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000584889619 507556559 /nfs/dbraw/zinc/55/65/59/507556559.db2.gz KXONSGKUAMHYNR-IBGZPJMESA-N 1 0 350.462 3.469 50 0 FGAARO CN(C(=O)NCc1ccccc1OCc1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000584893838 507560447 /nfs/dbraw/zinc/56/04/47/507560447.db2.gz KKNWVMBNHOCAKK-IBGZPJMESA-N 1 0 353.466 3.111 50 0 FGAARO C[N@@H+]1CCCN(C(=O)NCc2cc(COc3ccccc3)cs2)CC1 ZINC000584898266 507562603 /nfs/dbraw/zinc/56/26/03/507562603.db2.gz RSHLZHMNXWWXMU-UHFFFAOYSA-N 1 0 359.495 3.174 50 0 FGAARO CC[N@H+](C)CCN(C)C(=O)c1ccc(-c2ccc3[nH]ccc(=O)c3c2)cc1 ZINC000584902143 507563607 /nfs/dbraw/zinc/56/36/07/507563607.db2.gz XCULRJXKGMNNHJ-UHFFFAOYSA-N 1 0 363.461 3.219 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000584903328 507564495 /nfs/dbraw/zinc/56/44/95/507564495.db2.gz QSFGWKJBEFSZSE-CALCHBBNSA-N 1 0 357.473 3.398 50 0 FGAARO CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000089368472 518469706 /nfs/dbraw/zinc/46/97/06/518469706.db2.gz LNVYAXHFRBHGJF-UHFFFAOYSA-N 1 0 368.433 3.469 50 0 FGAARO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000089891137 519673429 /nfs/dbraw/zinc/67/34/29/519673429.db2.gz FOYXGQIZOUFCHF-GOSISDBHSA-N 1 0 354.498 3.344 50 0 FGAARO CCN(CC)c1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](c3cccc(OC)c3)C2)cc1 ZINC000091474815 520887955 /nfs/dbraw/zinc/88/79/55/520887955.db2.gz YBTPRXCFHLGJDK-RTWAWAEBSA-N 1 0 367.493 3.108 50 0 FGAARO CCCc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)[nH]n1 ZINC000091492994 521358319 /nfs/dbraw/zinc/35/83/19/521358319.db2.gz OSJWWJQTLZHGSP-QFBILLFUSA-N 1 0 370.472 3.238 50 0 FGAARO CC[C@H](C)Oc1ccccc1C[NH+]1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000091492868 521783159 /nfs/dbraw/zinc/78/31/59/521783159.db2.gz JUUWWUKFHIAGDR-SFHVURJKSA-N 1 0 374.525 3.061 50 0 FGAARO CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020535894 523148713 /nfs/dbraw/zinc/14/87/13/523148713.db2.gz PGOFYIDTYIFXJZ-KBPBESRZSA-N 1 0 358.463 3.085 50 0 FGAARO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000239358434 523281992 /nfs/dbraw/zinc/28/19/92/523281992.db2.gz NGZWUUQHNJOTMA-ICSRJNTNSA-N 1 0 369.461 3.302 50 0 FGAARO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@@H]([NH2+]C1CCCC1)C2 ZINC000020201121 523610193 /nfs/dbraw/zinc/61/01/93/523610193.db2.gz KTCZIUHDQWJNQR-QGZVFWFLSA-N 1 0 370.497 3.158 50 0 FGAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccccc1OCc1ccccc1)C2 ZINC000091440963 524026820 /nfs/dbraw/zinc/02/68/20/524026820.db2.gz MWABVLFDTHTQGY-RBUKOAKNSA-N 1 0 350.462 3.432 50 0 FGAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000252467488 524632803 /nfs/dbraw/zinc/63/28/03/524632803.db2.gz OIHAMMYPWRLELG-ZGXWSNOMSA-N 1 0 372.557 3.179 50 0 FGAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)C1 ZINC000156573681 525009815 /nfs/dbraw/zinc/00/98/15/525009815.db2.gz XKJXTOUJRYYCDZ-TZMCWYRMSA-N 1 0 366.387 3.091 50 0 FGAARO C[C@@H]1C[N@H+](Cc2cnc(NCc3ccccc3)nc2)CC[C@@]1(O)C1CCC1 ZINC000091562718 525023811 /nfs/dbraw/zinc/02/38/11/525023811.db2.gz FZYKTNZJCHBXDR-VGSWGCGISA-N 1 0 366.509 3.462 50 0 FGAARO COc1ccc([C@H]2CCC[N@@H+]2CCNC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000085558012 525411911 /nfs/dbraw/zinc/41/19/11/525411911.db2.gz XLCMPUKIIAXZGM-LAUBAEHRSA-N 1 0 368.477 3.416 50 0 FGAARO COc1cccc(O[C@H](C)C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000241144916 526239771 /nfs/dbraw/zinc/23/97/71/526239771.db2.gz JUBIDNIGGMFANA-FHLIZLRMSA-N 1 0 364.486 3.498 50 0 FGAARO O=C(CCC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)N1CCOCC1 ZINC000012585937 526408685 /nfs/dbraw/zinc/40/86/85/526408685.db2.gz ZVTLNVPITWVKDN-OWOJBTEDSA-N 1 0 360.473 3.190 50 0 FGAARO O=C(CC[NH+]1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000019841578 526488166 /nfs/dbraw/zinc/48/81/66/526488166.db2.gz YSBMSPZIGCRNGW-QPJJXVBHSA-N 1 0 367.468 3.485 50 0 FGAARO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179099475 526907086 /nfs/dbraw/zinc/90/70/86/526907086.db2.gz HKXRSDKWQGHZDG-ZDUSSCGKSA-N 1 0 365.886 3.118 50 0 FGAARO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178568101 526907194 /nfs/dbraw/zinc/90/71/94/526907194.db2.gz KZXCRNBLAFCOKX-GFCCVEGCSA-N 1 0 365.886 3.105 50 0 FGAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)Nc1ccccc1F ZINC000079497827 527002887 /nfs/dbraw/zinc/00/28/87/527002887.db2.gz NZGICNLTRCUPES-UHFFFAOYSA-N 1 0 374.412 3.172 50 0 FGAARO O=C(CSc1ccccc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091288902 527042575 /nfs/dbraw/zinc/04/25/75/527042575.db2.gz XTUDVEFFNFBKIK-RBUKOAKNSA-N 1 0 367.518 3.297 50 0 FGAARO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000091439871 527072026 /nfs/dbraw/zinc/07/20/26/527072026.db2.gz MWVREXCUCVWTKH-MRXNPFEDSA-N 1 0 370.888 3.093 50 0 FGAARO OCC[C@@H]1CN(Cc2ccc(OC(F)F)cc2)CC[N@@H+]1C1CCCC1 ZINC000020209960 527566910 /nfs/dbraw/zinc/56/69/10/527566910.db2.gz SUIMOSKQUKCEGJ-QGZVFWFLSA-N 1 0 354.441 3.099 50 0 FGAARO OCc1ccc(C[C@@H]2CC[N@H+](Cc3cnc(N4CCCC4)s3)C2)cc1 ZINC000091445268 527634193 /nfs/dbraw/zinc/63/41/93/527634193.db2.gz QSMJCZGGOYYJCJ-SFHVURJKSA-N 1 0 357.523 3.300 50 0 FGAARO CCc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000004123064 536191510 /nfs/dbraw/zinc/19/15/10/536191510.db2.gz XXOJKCVBQALMPY-UHFFFAOYSA-N 1 0 367.493 3.408 50 0 FGAARO CCCc1cc(CN(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)[nH]n1 ZINC000216127532 568107169 /nfs/dbraw/zinc/10/71/69/568107169.db2.gz RRVNSEQLNHYQQF-HXUWFJFHSA-N 1 0 354.498 3.375 50 0 FGAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000409413595 570589520 /nfs/dbraw/zinc/58/95/20/570589520.db2.gz CMPGJJNFOSVQBD-DNVCBOLYSA-N 1 0 353.466 3.277 50 0 FGAARO CCn1c(CNC(=O)c2ccc(C[NH+](CC)CC)o2)nc2ccccc21 ZINC000049590307 570965046 /nfs/dbraw/zinc/96/50/46/570965046.db2.gz MSCFQPSDYIVVKZ-UHFFFAOYSA-N 1 0 354.454 3.421 50 0 FGAARO Cc1cccc(-n2cc(CN(C)C(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)cn2)c1 ZINC000670474146 571058772 /nfs/dbraw/zinc/05/87/72/571058772.db2.gz QQBJSVJMLIDDAT-SFHVURJKSA-N 1 0 369.513 3.195 50 0 FGAARO Cc1ccc2[nH]c([C@H](C)NC(=O)N3CCC([NH+]4CCCC4)CC3)nc2c1 ZINC000426360040 571215112 /nfs/dbraw/zinc/21/51/12/571215112.db2.gz CQIUPRXEAFVGDC-HNNXBMFYSA-N 1 0 355.486 3.202 50 0 FGAARO OCCn1ccc([C@H]2CCC[N@H+](CC3=Cc4cc(Cl)ccc4OC3)C2)n1 ZINC000426373865 571216721 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C[NH+](C)Cc1ccccc1CNC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000021938486 494511551 /nfs/dbraw/zinc/51/15/51/494511551.db2.gz BWRDPJGSYPVAGG-UHFFFAOYSA-N 1 0 362.477 3.183 50 0 FGAARO C[C@@H](NC(=S)Nc1ccccc1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022027276 494513744 /nfs/dbraw/zinc/51/37/44/494513744.db2.gz XGLKPHNYUKLXQT-XLIONFOSSA-N 1 0 368.550 3.350 50 0 FGAARO Cc1cccc(NC(=O)[C@H](C)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000022789350 494534371 /nfs/dbraw/zinc/53/43/71/494534371.db2.gz YMKKBGQDLIEHJA-IBGZPJMESA-N 1 0 351.494 3.182 50 0 FGAARO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000022796973 494536279 /nfs/dbraw/zinc/53/62/79/494536279.db2.gz CUSMOSXFJDQSSA-UHFFFAOYSA-N 1 0 351.494 3.102 50 0 FGAARO O[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C1)COCc1ccccc1Cl ZINC000022940563 494543752 /nfs/dbraw/zinc/54/37/52/494543752.db2.gz MUEYAUWEPNBHHO-WOJBJXKFSA-N 1 0 374.912 3.082 50 0 FGAARO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N1Cc2cnc(-c3ccccc3)nc2C1 ZINC000067458680 494545302 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FGAARO CN(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCC1)c1ccc(F)cc1 ZINC000215017258 496977337 /nfs/dbraw/zinc/97/73/37/496977337.db2.gz JPSIAKCEPAQAAT-IBGZPJMESA-N 1 0 361.505 3.343 50 0 FGAARO c1cn(CCOc2ccc(CN3CCCC[C@@H]3C[NH+]3CCCC3)cc2)cn1 ZINC000215068816 496977796 /nfs/dbraw/zinc/97/77/96/496977796.db2.gz BMEGZLJRSQAOST-OAQYLSRUSA-N 1 0 368.525 3.412 50 0 FGAARO O=C([C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)s1)N1CCOCC1 ZINC000215708674 496983019 /nfs/dbraw/zinc/98/30/19/496983019.db2.gz GPFOIYKYXMKMFX-SFHVURJKSA-N 1 0 356.491 3.238 50 0 FGAARO c1cnn(Cc2ccc(C[N@@H+]3CCCN(Cc4cccnc4)CC3)cc2)c1 ZINC000215877821 496985032 /nfs/dbraw/zinc/98/50/32/496985032.db2.gz YIJYCIMEBAQOEV-UHFFFAOYSA-N 1 0 361.493 3.034 50 0 FGAARO Cc1cc(C)n2ncc(C[N@@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c2n1 ZINC000216152942 496987182 /nfs/dbraw/zinc/98/71/82/496987182.db2.gz JARAWZDTAIOEJD-HNNXBMFYSA-N 1 0 352.438 3.310 50 0 FGAARO O=C(Cc1ccc(Cl)c(Cl)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000219462829 497009850 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Cc1cc(NC(=O)c2cc(-c3ccco3)on2)cc(N2CC[NH+](C)CC2)c1 ZINC000252478294 497301332 /nfs/dbraw/zinc/30/13/32/497301332.db2.gz AIVIQYLGRIGPBP-UHFFFAOYSA-N 1 0 366.421 3.247 50 0 FGAARO C[N@@H+]1CCC[C@@H](CN2C(=O)CN(C3CC3)C2=O)[C@H]1c1cccc(Cl)c1 ZINC000252551877 497311962 /nfs/dbraw/zinc/31/19/62/497311962.db2.gz UIUFUMJSUZXSHP-KBXCAEBGSA-N 1 0 361.873 3.150 50 0 FGAARO CCn1ncc(C[N@@H+]2C[C@@H](COCC3CC3)[C@H](c3ccccn3)C2)c1C ZINC000253415203 497333075 /nfs/dbraw/zinc/33/30/75/497333075.db2.gz ZZCQUQVHGGHIBO-VQTJNVASSA-N 1 0 354.498 3.249 50 0 FGAARO Cc1cc(C(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)c2ccccc2n1 ZINC000244641285 497365697 /nfs/dbraw/zinc/36/56/97/497365697.db2.gz GMULCJMLIIMFJP-GOSISDBHSA-N 1 0 367.493 3.260 50 0 FGAARO COc1ccc(C[N@H+](C)C[C@@H]2Cc3c(nc(C)nc3C)O2)c2cccnc12 ZINC000244601849 497366454 /nfs/dbraw/zinc/36/64/54/497366454.db2.gz DSVNVYZWWSYXEJ-INIZCTEOSA-N 1 0 364.449 3.086 50 0 FGAARO CC[C@H](NC(=O)CC1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000244691683 497367953 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COc1ccc([C@@H](C)NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1Br ZINC000262543714 497571535 /nfs/dbraw/zinc/57/15/35/497571535.db2.gz RKTQUDWAXTYGHY-ABAIWWIYSA-N 1 0 369.303 3.413 50 0 FGAARO O=C1NCCCN1C1CC[NH+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000194728824 497752193 /nfs/dbraw/zinc/75/21/93/497752193.db2.gz BKOPXMGOQCIBIJ-UHFFFAOYSA-N 1 0 356.297 3.416 50 0 FGAARO O=C1NC[C@@H]([NH2+]CCCc2ccccc2)n2nc(-c3ccc(F)cc3)cc21 ZINC000263616276 497803770 /nfs/dbraw/zinc/80/37/70/497803770.db2.gz HWDLSFBGCXPKAB-FQEVSTJZSA-N 1 0 364.424 3.154 50 0 FGAARO [NH3+]CCCOc1ccc(F)cc1C(=O)NCc1ccc2c(c1)CCCC2 ZINC000299764744 497915093 /nfs/dbraw/zinc/91/50/93/497915093.db2.gz DKJBDHGGNGTXCW-UHFFFAOYSA-N 1 0 356.441 3.362 50 0 FGAARO Cc1ccc(-c2cccc(C(=O)NCCC[NH+]3CCC(O)CC3)c2)cc1F ZINC000299764052 497915246 /nfs/dbraw/zinc/91/52/46/497915246.db2.gz QZKWDXYALSQIPT-UHFFFAOYSA-N 1 0 370.468 3.378 50 0 FGAARO CO[C@]12CC[N@H+](Cc3c(C)n[nH]c3C)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000299784353 497921949 /nfs/dbraw/zinc/92/19/49/497921949.db2.gz XBLUXXLLGGOFGN-IMFGXOCKSA-N 1 0 356.470 3.013 50 0 FGAARO O=C(c1cccc(-c2ccncc2)c1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299791157 497925108 /nfs/dbraw/zinc/92/51/08/497925108.db2.gz CRPYKNWGJLHWMY-NRFANRHFSA-N 1 0 365.477 3.076 50 0 FGAARO Cc1ccc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)cc1OCCC[NH3+] ZINC000299801927 497928847 /nfs/dbraw/zinc/92/88/47/497928847.db2.gz ZCYISNKLOYMBDJ-MRXNPFEDSA-N 1 0 367.371 3.151 50 0 FGAARO Cn1c2ccc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)cc2oc1=O ZINC000408518278 499591687 /nfs/dbraw/zinc/59/16/87/499591687.db2.gz YRUWGIGBWHDMDE-HXUWFJFHSA-N 1 0 366.417 3.144 50 0 FGAARO C[C@H]1C[C@H]1C(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000408515652 499591733 /nfs/dbraw/zinc/59/17/33/499591733.db2.gz OKVBHAAYLUZBSO-GXTWGEPZSA-N 1 0 368.319 3.421 50 0 FGAARO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000377847115 499741686 /nfs/dbraw/zinc/74/16/86/499741686.db2.gz JINQEMDESCLLMI-OAHLLOKOSA-N 1 0 370.497 3.011 50 0 FGAARO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000426503636 500281154 /nfs/dbraw/zinc/28/11/54/500281154.db2.gz YEGAGYXCJQXMSA-KRWDZBQOSA-N 1 0 373.932 3.444 50 0 FGAARO COCCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3ccncc3C)cc2)C1 ZINC000426549151 500288152 /nfs/dbraw/zinc/28/81/52/500288152.db2.gz LCDAHONGFKNLCG-GOSISDBHSA-N 1 0 367.493 3.145 50 0 FGAARO Cc1cc(C)n(C2CN(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)C2)n1 ZINC000426599015 500293512 /nfs/dbraw/zinc/29/35/12/500293512.db2.gz UBUMUYLFAKTRMQ-UHFFFAOYSA-N 1 0 373.545 3.255 50 0 FGAARO O=C(NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC(c2ccncc2)C1 ZINC000426651903 500301529 /nfs/dbraw/zinc/30/15/29/500301529.db2.gz AACMDYXHCGCGOY-LJQANCHMSA-N 1 0 364.493 3.103 50 0 FGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2onc3c2CCCC3)C1 ZINC000426677938 500305204 /nfs/dbraw/zinc/30/52/04/500305204.db2.gz YWVXGSXGCCKMSI-QGZVFWFLSA-N 1 0 353.466 3.290 50 0 FGAARO C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000426690719 500307113 /nfs/dbraw/zinc/30/71/13/500307113.db2.gz RGCJGGFBNWDOGR-HXUWFJFHSA-N 1 0 353.466 3.111 50 0 FGAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc(Cn4cccn4)cc3)[C@H]2C1 ZINC000426722442 500311080 /nfs/dbraw/zinc/31/10/80/500311080.db2.gz NHVPRHVLCDHZKF-QHAWAJNXSA-N 1 0 355.482 3.090 50 0 FGAARO C[C@H](NC(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1)c1cccs1 ZINC000426728094 500311754 /nfs/dbraw/zinc/31/17/54/500311754.db2.gz AJQOLDSRWOZZJU-HNNXBMFYSA-N 1 0 355.507 3.304 50 0 FGAARO Cc1cc(C)cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)c1 ZINC000486280663 502110301 /nfs/dbraw/zinc/11/03/01/502110301.db2.gz MCTHFFNSQKHBFW-FQEVSTJZSA-N 1 0 368.525 3.238 50 0 FGAARO O=C(c1cc(F)cc2nc[nH]c21)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000509334591 502876896 /nfs/dbraw/zinc/87/68/96/502876896.db2.gz AMFFEHZRXHXZDE-MRXNPFEDSA-N 1 0 358.804 3.142 50 0 FGAARO CCOC1CC2(C1)CC[N@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)C2 ZINC000512832552 503641927 /nfs/dbraw/zinc/64/19/27/503641927.db2.gz IWCAAGVZLBCFMT-NJEKYYFSSA-N 1 0 372.509 3.154 50 0 FGAARO CO[C@]12CC[N@H+](Cc3ccsc3)[C@H]1C[C@H](NC(=O)c1cccnc1)CC2 ZINC000534580378 504182290 /nfs/dbraw/zinc/18/22/90/504182290.db2.gz BDROJQQDLLQXRF-WSTZPKSXSA-N 1 0 371.506 3.085 50 0 FGAARO [NH3+]C[C@@H]1CCCN(C(=O)c2cccc(-c3ccc4[nH]ccc(=O)c4c3)c2)C1 ZINC000584888381 507556411 /nfs/dbraw/zinc/55/64/11/507556411.db2.gz QZQAMCDCHVODGC-HNNXBMFYSA-N 1 0 361.445 3.006 50 0 FGAARO CC(C)=CC[N@@H+]1CCN(Cc2ccc3cccc(F)c3n2)C[C@@H]1CCO ZINC000020541624 519427119 /nfs/dbraw/zinc/42/71/19/519427119.db2.gz NDPZEGZCQNRAGV-IBGZPJMESA-N 1 0 357.473 3.209 50 0 FGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3ccc4scnc4c3)cc2C1 ZINC000082137581 519855546 /nfs/dbraw/zinc/85/55/46/519855546.db2.gz CBGHYZUJQQOWRQ-UHFFFAOYSA-N 1 0 369.494 3.039 50 0 FGAARO CC(C)n1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)cn1 ZINC000020205984 519948319 /nfs/dbraw/zinc/94/83/19/519948319.db2.gz ANSOOFHMMULAPC-QFIPXVFZSA-N 1 0 367.541 3.251 50 0 FGAARO CCN(CC)c1nnc(-n2cccc2C[NH2+]Cc2cccc(OC)c2)s1 ZINC000020576642 520935864 /nfs/dbraw/zinc/93/58/64/520935864.db2.gz SSKMKEVXNGEXQQ-UHFFFAOYSA-N 1 0 371.510 3.473 50 0 FGAARO CCOc1ccc(NC(=O)CC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019881292 521053255 /nfs/dbraw/zinc/05/32/55/521053255.db2.gz NSLLQZDWWJBLRS-UHFFFAOYSA-N 1 0 367.493 3.232 50 0 FGAARO CCOc1cccc(OCC[NH+]2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1 ZINC000091321640 521402945 /nfs/dbraw/zinc/40/29/45/521402945.db2.gz LVYLZPPRKHZLPR-UHFFFAOYSA-N 1 0 372.509 3.331 50 0 FGAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)C1 ZINC000179023765 522055077 /nfs/dbraw/zinc/05/50/77/522055077.db2.gz LTGSBKXMMZMUKL-KRWDZBQOSA-N 1 0 350.462 3.216 50 0 FGAARO COc1cc(C[NH2+]C[C@@H]2CCCN2C)ccc1OCc1c(C)noc1C ZINC000166408396 522457802 /nfs/dbraw/zinc/45/78/02/522457802.db2.gz ZKZPQIPUMKSADJ-KRWDZBQOSA-N 1 0 359.470 3.063 50 0 FGAARO CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(OC)c(C[NH+]3CCCC3)c2)C1 ZINC000091460345 523548008 /nfs/dbraw/zinc/54/80/08/523548008.db2.gz IPUHCYJOZDNFQV-NRFANRHFSA-N 1 0 360.498 3.368 50 0 FGAARO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[C@@H]4CCC[C@@H]43)CC2)c1 ZINC000082137265 524556468 /nfs/dbraw/zinc/55/64/68/524556468.db2.gz YPGSRMWXAAYKFK-JBACZVJFSA-N 1 0 355.526 3.202 50 0 FGAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000248120023 524659401 /nfs/dbraw/zinc/65/94/01/524659401.db2.gz USRXOUHLZDVUEV-FCEWJHQRSA-N 1 0 362.539 3.201 50 0 FGAARO C[C@H](Cc1ccc2c(c1)OCO2)c1nc2c[nH]n(C3CC[NH+](C)CC3)c-2n1 ZINC000020774226 524708040 /nfs/dbraw/zinc/70/80/40/524708040.db2.gz PKVUGFFMDAIDEI-CYBMUJFWSA-N 1 0 367.453 3.101 50 0 FGAARO Cc1ccccc1CCC(=O)NCc1cc2n(n1)CCC[N@@H+](CC(C)C)C2 ZINC000082120799 525103744 /nfs/dbraw/zinc/10/37/44/525103744.db2.gz SMMUGURADYHASY-UHFFFAOYSA-N 1 0 368.525 3.302 50 0 FGAARO Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000020890045 525158076 /nfs/dbraw/zinc/15/80/76/525158076.db2.gz YDBOPKNXOMKTAP-UHFFFAOYSA-N 1 0 370.472 3.468 50 0 FGAARO CSc1ccc(Cl)c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000089895936 526009362 /nfs/dbraw/zinc/00/93/62/526009362.db2.gz BGGWNDXRZPJBDD-CYBMUJFWSA-N 1 0 370.946 3.227 50 0 FGAARO Cc1noc(C)c1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012585514 526467224 /nfs/dbraw/zinc/46/72/24/526467224.db2.gz NGTAMYXVNYFUHQ-GOSISDBHSA-N 1 0 373.472 3.457 50 0 FGAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1 ZINC000019872499 527311989 /nfs/dbraw/zinc/31/19/89/527311989.db2.gz HNNUURGMUSYQNP-UHFFFAOYSA-N 1 0 374.437 3.065 50 0 FGAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000269233967 527348462 /nfs/dbraw/zinc/34/84/62/527348462.db2.gz VRAJQOOTFXRJEL-KBAYOESNSA-N 1 0 350.890 3.130 50 0 FGAARO O=c1cc(-c2ccccc2)c2ccc(OC[C@@H](O)C[NH+]3CCCC3)cc2o1 ZINC000020738506 527474810 /nfs/dbraw/zinc/47/48/10/527474810.db2.gz XQWAGSKRKCKGTD-KRWDZBQOSA-N 1 0 365.429 3.296 50 0 FGAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)N3CCC(C)CC3)c(C)c2)CC1 ZINC000056170238 535748107 /nfs/dbraw/zinc/74/81/07/535748107.db2.gz HGLKMDUUEWUZFF-IBGZPJMESA-N 1 0 372.557 3.196 50 0 FGAARO CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C)sc2n1 ZINC000046032470 570920617 /nfs/dbraw/zinc/92/06/17/570920617.db2.gz SUBZOGLSARXDTL-UHFFFAOYSA-N 1 0 372.494 3.270 50 0 FGAARO Cc1ccc(OCC(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000048370039 570953336 /nfs/dbraw/zinc/95/33/36/570953336.db2.gz ZYVRVDWAJHPOQC-UHFFFAOYSA-N 1 0 352.478 3.463 50 0 FGAARO Cc1[nH]nc2ncc(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)cc12 ZINC000116215380 571180007 /nfs/dbraw/zinc/18/00/07/571180007.db2.gz JPEJRCIMOLHGMH-HNNXBMFYSA-N 1 0 363.465 3.222 50 0 FGAARO CN(Cc1ccc2nsnc2c1)C(=O)NC(C)(C)C[NH+]1CCCCC1 ZINC000426465401 571226616 /nfs/dbraw/zinc/22/66/16/571226616.db2.gz CBSIGMUJTWWUNY-UHFFFAOYSA-N 1 0 361.515 3.097 50 0 FGAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H](CO)Cc1ccccc1 ZINC000410162342 571258318 /nfs/dbraw/zinc/25/83/18/571258318.db2.gz IEXUDLBYHVRGMZ-HXUWFJFHSA-N 1 0 373.541 3.078 50 0 FGAARO COc1cccc(SCC(=O)N[C@H](C)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000670447952 571351748 /nfs/dbraw/zinc/35/17/48/571351748.db2.gz CMLZXTYYSMMYKT-MRXNPFEDSA-N 1 0 370.518 3.350 50 0 FGAARO Cc1nnc(SCC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)s1 ZINC000020536223 695641765 /nfs/dbraw/zinc/64/17/65/695641765.db2.gz LEMSDUZTTJRZCT-CQSZACIVSA-N 1 0 368.572 3.242 50 0 FGAARO COC[C@H]1CN(C(C)=O)CC12CC[NH+](Cc1cccc(Cl)c1F)CC2 ZINC000169782744 705351544 /nfs/dbraw/zinc/35/15/44/705351544.db2.gz YMQLDRGUXRWTSM-MRXNPFEDSA-N 1 0 368.880 3.186 50 0 FGAARO C[C@H]([NH2+]CC1(CO)CCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000184535557 712672903 /nfs/dbraw/zinc/67/29/03/712672903.db2.gz GAMDBVBCQZCKAT-HNNXBMFYSA-N 1 0 351.512 3.216 50 0 FGAARO CC1(C)OCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000660514638 720065350 /nfs/dbraw/zinc/06/53/50/720065350.db2.gz NYMLMJBLGDAQPQ-HOTGVXAUSA-N 1 0 365.543 3.074 50 0 FGAARO Cc1cc(N2CCC(CNC(=O)c3ccc(Cl)cn3)CC2)cc(C)[nH+]1 ZINC000952983197 762539968 /nfs/dbraw/zinc/53/99/68/762539968.db2.gz OMEYHWNYECGWBR-UHFFFAOYSA-N 1 0 358.873 3.393 50 0 FGAARO O=C(NCC1([NH+]2CCCC2)CCCCC1)c1ccc(SCCO)cc1 ZINC000219517082 209684978 /nfs/dbraw/zinc/68/49/78/209684978.db2.gz ZITCFUWHFPBXPW-UHFFFAOYSA-N 1 0 362.539 3.300 50 0 FGAARO [NH3+]Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000237943789 209355679 /nfs/dbraw/zinc/35/56/79/209355679.db2.gz RUELXAAHDQOCCO-IBGZPJMESA-N 1 0 358.869 3.385 50 0 FGAARO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000237917502 209355788 /nfs/dbraw/zinc/35/57/88/209355788.db2.gz LQTBQBUKALAJPJ-XYPHTWIQSA-N 1 0 366.889 3.032 50 0 FGAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000237859632 209355491 /nfs/dbraw/zinc/35/54/91/209355491.db2.gz VRAJQOOTFXRJEL-NXHRZFHOSA-N 1 0 350.890 3.130 50 0 FGAARO Cc1ccc(OCCC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000237410178 209347249 /nfs/dbraw/zinc/34/72/49/209347249.db2.gz XFBXUGIRTWHBFV-KBPBESRZSA-N 1 0 369.303 3.112 50 0 FGAARO CN(C)c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000048302842 209330587 /nfs/dbraw/zinc/33/05/87/209330587.db2.gz ZCOIQEDLSFTYCR-UHFFFAOYSA-N 1 0 355.457 3.286 50 0 FGAARO CNC(=O)c1ccc(NC(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000048325615 209330600 /nfs/dbraw/zinc/33/06/00/209330600.db2.gz ZSXIYOWEQHIDMJ-FQEVSTJZSA-N 1 0 363.461 3.137 50 0 FGAARO CCOc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])ccc1OCc1ccncc1 ZINC000236883524 209255492 /nfs/dbraw/zinc/25/54/92/209255492.db2.gz SXQOEFMXKGUCRL-GOSISDBHSA-N 1 0 369.465 3.013 50 0 FGAARO COc1cccc(NC(=O)c2ccc(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)cc2)c1 ZINC000102728320 209241057 /nfs/dbraw/zinc/24/10/57/209241057.db2.gz PGFYDYUHQNJKPL-PMOLBWCYSA-N 1 0 366.461 3.435 50 0 FGAARO CCn1cc(Cl)c(C(=O)NC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000097759487 209197498 /nfs/dbraw/zinc/19/74/98/209197498.db2.gz MINDSLCSPQJPBX-KRWDZBQOSA-N 1 0 374.916 3.241 50 0 FGAARO COc1ccccc1-n1cc(C[N@@H+]2CC[C@@H](n3nc(C)cc3C)C2)cn1 ZINC000097775556 209196847 /nfs/dbraw/zinc/19/68/47/209196847.db2.gz ADSFRMTWXVSSMW-GOSISDBHSA-N 1 0 351.454 3.141 50 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50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)cc2)CC1 ZINC000008780068 494105399 /nfs/dbraw/zinc/10/53/99/494105399.db2.gz YEQVVPXZKLUQNW-MRXNPFEDSA-N 1 0 356.297 3.351 50 0 FGAARO C[NH+](C)C1(CNC(=O)COc2cccc(Br)c2)CCCCC1 ZINC000008848859 494106305 /nfs/dbraw/zinc/10/63/05/494106305.db2.gz YTHMBUHEVBHITO-UHFFFAOYSA-N 1 0 369.303 3.209 50 0 FGAARO O[C@H]1Cc2ccccc2C12CC[NH+](Cc1ccnn1-c1ccccc1)CC2 ZINC000072128339 494129782 /nfs/dbraw/zinc/12/97/82/494129782.db2.gz SDSSCTGVHDKZAH-QFIPXVFZSA-N 1 0 359.473 3.323 50 0 FGAARO c1cc(C[NH+]2CCC(c3nnc4n3CCCCC4)CC2)cc2nsnc12 ZINC000072137410 494131779 /nfs/dbraw/zinc/13/17/79/494131779.db2.gz OKTFMIVUXUZFDG-UHFFFAOYSA-N 1 0 368.510 3.389 50 0 FGAARO COCc1cc(C[NH+]2CCC3(CC2)c2ccccc2C[C@@H]3O)ccc1OC ZINC000072138930 494132166 /nfs/dbraw/zinc/13/21/66/494132166.db2.gz NGDBQJVHAGRNLN-QFIPXVFZSA-N 1 0 367.489 3.292 50 0 FGAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(COC)c3)cc2)CC1 ZINC000040107962 494132558 /nfs/dbraw/zinc/13/25/58/494132558.db2.gz 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Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000072296020 494148682 /nfs/dbraw/zinc/14/86/82/494148682.db2.gz YQAIANYNQFKWLL-KZNAEPCWSA-N 1 0 359.514 3.044 50 0 FGAARO CC(C)(C)NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010334150 494149898 /nfs/dbraw/zinc/14/98/98/494149898.db2.gz RDIRRVXEYUSCIL-IBGZPJMESA-N 1 0 367.493 3.008 50 0 FGAARO COc1ccc(OCCc2sc([C@]3(O)CCC[NH2+]CC3)nc2C)cc1 ZINC000072343627 494154732 /nfs/dbraw/zinc/15/47/32/494154732.db2.gz KANOSGNRBBYDKG-IBGZPJMESA-N 1 0 362.495 3.043 50 0 FGAARO Cc1nc([C@]2(O)CCC[NH2+]CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000072343629 494155208 /nfs/dbraw/zinc/15/52/08/494155208.db2.gz PMJJLZWUCLGGGG-SFHVURJKSA-N 1 0 368.449 3.312 50 0 FGAARO Cc1nn(-c2ccc(NC(=O)C[NH+]3CCCCCC3)cn2)c(C)c1Cl ZINC000072402764 494164541 /nfs/dbraw/zinc/16/45/41/494164541.db2.gz ISGPTXZQWIJYJU-UHFFFAOYSA-N 1 0 361.877 3.352 50 0 FGAARO CC(C)(O)CCc1ccc(C[NH+]2CCN(CCc3ccncc3)CC2)cc1 ZINC000072417947 494167808 /nfs/dbraw/zinc/16/78/08/494167808.db2.gz WHDSHHMNIACOCU-UHFFFAOYSA-N 1 0 367.537 3.145 50 0 FGAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(-c2cc[nH]n2)cc1 ZINC000072425913 494171480 /nfs/dbraw/zinc/17/14/80/494171480.db2.gz MMRYBCYRDJHGPK-HXUWFJFHSA-N 1 0 360.461 3.205 50 0 FGAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@H](CN3CCCC3=O)C2)cc1 ZINC000072436196 494174682 /nfs/dbraw/zinc/17/46/82/494174682.db2.gz UHZBVGGSDBJNGY-FQEVSTJZSA-N 1 0 358.526 3.225 50 0 FGAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Cc1ccc(O)c(Cl)c1 ZINC000072435297 494175232 /nfs/dbraw/zinc/17/52/32/494175232.db2.gz HHZHVAJVZXHJKT-QGZVFWFLSA-N 1 0 358.869 3.103 50 0 FGAARO CCOc1cc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)ccc1O ZINC000072448184 494176193 /nfs/dbraw/zinc/17/61/93/494176193.db2.gz AYPICTOYBCPYOR-OAQYLSRUSA-N 1 0 366.505 3.466 50 0 FGAARO Cc1[nH]c2c(cccc2C(=O)N2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c1C ZINC000072470600 494179144 /nfs/dbraw/zinc/17/91/44/494179144.db2.gz JHEHLTUQUILDSU-SFHVURJKSA-N 1 0 369.509 3.236 50 0 FGAARO CCC[NH+]1CCN(C(=O)c2nc3ccccn3c2-c2ccc(F)cc2)CC1 ZINC000065232141 494181100 /nfs/dbraw/zinc/18/11/00/494181100.db2.gz APEKAXQOFJGKLM-UHFFFAOYSA-N 1 0 366.440 3.308 50 0 FGAARO C[C@H](Nc1nc(-c2ccccn2)nc2c1CC[NH2+]CC2)c1cccs1 ZINC000072476949 494181285 /nfs/dbraw/zinc/18/12/85/494181285.db2.gz JUXBMHFPEVLBSX-ZDUSSCGKSA-N 1 0 351.479 3.461 50 0 FGAARO CN(C)Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)n1C ZINC000072479959 494182739 /nfs/dbraw/zinc/18/27/39/494182739.db2.gz AOPUNPSANRFRQM-CQSZACIVSA-N 1 0 365.884 3.049 50 0 FGAARO Cc1nc2ccccc2n1CC(=O)N[C@H]1CC[C@H]1[NH2+]C1CCCCCC1 ZINC000072481297 494182887 /nfs/dbraw/zinc/18/28/87/494182887.db2.gz AZTAPSWTDVEBCF-MSOLQXFVSA-N 1 0 354.498 3.304 50 0 FGAARO CCN(CC)c1cc(CCC(=O)NCC[N@H+](C)C2CCCCC2)ccn1 ZINC000065270061 494184605 /nfs/dbraw/zinc/18/46/05/494184605.db2.gz PBKJUTNRWLCNIT-UHFFFAOYSA-N 1 0 360.546 3.241 50 0 FGAARO NC(=O)c1cnc(NC2CC[NH+](Cc3ccccc3F)CC2)c(Cl)c1 ZINC000054061334 494191210 /nfs/dbraw/zinc/19/12/10/494191210.db2.gz VAQDTHPGZKZUMT-UHFFFAOYSA-N 1 0 362.836 3.050 50 0 FGAARO Cc1cccc(OCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000065363624 494191353 /nfs/dbraw/zinc/19/13/53/494191353.db2.gz IFMSJUOJQVPBAM-UHFFFAOYSA-N 1 0 368.477 3.163 50 0 FGAARO COc1ccc(-n2cc(C3=CCN(CC[NH+]4CCCC4)CC3)cn2)cc1 ZINC000065382370 494192302 /nfs/dbraw/zinc/19/23/02/494192302.db2.gz XLEFRWYKMNCYQO-UHFFFAOYSA-N 1 0 352.482 3.066 50 0 FGAARO CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000065383605 494192603 /nfs/dbraw/zinc/19/26/03/494192603.db2.gz VLSHRZHZLLKBNZ-OAHLLOKOSA-N 1 0 365.886 3.393 50 0 FGAARO O[C@@H](c1cccs1)C1CC[NH+](Cc2cccn2-c2ncccn2)CC1 ZINC000065396966 494192676 /nfs/dbraw/zinc/19/26/76/494192676.db2.gz FHTNOYKJTPFVKQ-GOSISDBHSA-N 1 0 354.479 3.274 50 0 FGAARO Cn1cccc1[C@H](CNC(=O)Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000011846265 494193392 /nfs/dbraw/zinc/19/33/92/494193392.db2.gz DDUBIFJAGQZWOX-FQEVSTJZSA-N 1 0 357.473 3.440 50 0 FGAARO C[N@@H+](Cc1cc2c(cc1Cl)OCO2)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000065421122 494195707 /nfs/dbraw/zinc/19/57/07/494195707.db2.gz JYRPGTSWSGEQBZ-ZDUSSCGKSA-N 1 0 364.873 3.292 50 0 FGAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1 ZINC000065476288 494202570 /nfs/dbraw/zinc/20/25/70/494202570.db2.gz MSGHHGAUPGSPOG-HNNXBMFYSA-N 1 0 358.511 3.385 50 0 FGAARO COc1cccc([C@@H]2CC[N@H+](Cc3cccn3-c3nccs3)C[C@H]2O)c1 ZINC000065535293 494210904 /nfs/dbraw/zinc/21/09/04/494210904.db2.gz QZWUCALGIKDQSU-RBUKOAKNSA-N 1 0 369.490 3.293 50 0 FGAARO COCCC[NH+]1CCC(NC(=O)c2cccc3c4c([nH]c32)CCCC4)CC1 ZINC000065576212 494215373 /nfs/dbraw/zinc/21/53/73/494215373.db2.gz CPGXGTJVCSBZDG-UHFFFAOYSA-N 1 0 369.509 3.277 50 0 FGAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]12CC[N@H+](Cc1ccncc1)C2 ZINC000012434936 494232180 /nfs/dbraw/zinc/23/21/80/494232180.db2.gz HKEXHKBQWDCBFO-NRFANRHFSA-N 1 0 353.441 3.235 50 0 FGAARO COC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CCC2)C3=O)cc1 ZINC000012719092 494251741 /nfs/dbraw/zinc/25/17/41/494251741.db2.gz LSXSODXRWQQRRN-QFIPXVFZSA-N 1 0 370.493 3.088 50 0 FGAARO COc1cc(OC)cc(C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)c1 ZINC000013011456 494276296 /nfs/dbraw/zinc/27/62/96/494276296.db2.gz VVXKMUZMDIIXHN-SFHVURJKSA-N 1 0 360.479 3.332 50 0 FGAARO COc1ccc(CNC(=S)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000013056221 494276679 /nfs/dbraw/zinc/27/66/79/494276679.db2.gz HNBHDGWFDPBALU-QGZVFWFLSA-N 1 0 359.495 3.089 50 0 FGAARO Fc1ccc(-c2n[nH]cc2C[NH+]2CCC(Nc3ncccn3)CC2)cc1 ZINC000055053150 494295537 /nfs/dbraw/zinc/29/55/37/494295537.db2.gz WEWWFVUPLDPRNW-UHFFFAOYSA-N 1 0 352.417 3.082 50 0 FGAARO CN(C(=O)CCC(=O)NC1CCCCCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000055212093 494315126 /nfs/dbraw/zinc/31/51/26/494315126.db2.gz CBFHKPVATSSOLM-UHFFFAOYSA-N 1 0 365.562 3.373 50 0 FGAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@H+](C)CC(C)C)C2 ZINC000014751633 494324393 /nfs/dbraw/zinc/32/43/93/494324393.db2.gz XCCSORLFPXDSCF-QGZVFWFLSA-N 1 0 360.546 3.364 50 0 FGAARO CC(C)C[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014752196 494324734 /nfs/dbraw/zinc/32/47/34/494324734.db2.gz NRLJWYZEDWHARV-QGZVFWFLSA-N 1 0 360.546 3.268 50 0 FGAARO CC(=O)Nc1ccc(C[N@H+]2CCC(=O)N(Cc3cccc(F)c3)CC2)cc1 ZINC000014888374 494327478 /nfs/dbraw/zinc/32/74/78/494327478.db2.gz AFOJZAHJFYGWHX-UHFFFAOYSA-N 1 0 369.440 3.019 50 0 FGAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(NCc2cccc(F)c2)nc1 ZINC000014950348 494330867 /nfs/dbraw/zinc/33/08/67/494330867.db2.gz UQJOQOPQSGTWDL-IBGZPJMESA-N 1 0 370.472 3.437 50 0 FGAARO Cc1ncc(C[NH2+][C@H](C)c2cnc(N3CCCCCCC3)nc2C)n1C ZINC000015061577 494335387 /nfs/dbraw/zinc/33/53/87/494335387.db2.gz NAIYPFAXFGQITQ-OAHLLOKOSA-N 1 0 356.518 3.448 50 0 FGAARO CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3cc(Cl)ccc32)CC1 ZINC000019205196 494438142 /nfs/dbraw/zinc/43/81/42/494438142.db2.gz IYUHXRWSWMUTBS-MRXNPFEDSA-N 1 0 357.885 3.056 50 0 FGAARO OCC[C@@H]1C[N@H+](Cc2c[nH]c3ccccc23)CCN1Cc1ccc(F)cc1 ZINC000019771102 494460075 /nfs/dbraw/zinc/46/00/75/494460075.db2.gz LHQIVGHOYAFRSC-HXUWFJFHSA-N 1 0 367.468 3.376 50 0 FGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1cc(OC)c(OC)c(OC)c1 ZINC000020111816 494467310 /nfs/dbraw/zinc/46/73/10/494467310.db2.gz GSCJCQICYDNKFZ-LJQANCHMSA-N 1 0 368.433 3.437 50 0 FGAARO O=C1C[C@H]([NH2+]Cc2cccs2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000020479859 494474558 /nfs/dbraw/zinc/47/45/58/494474558.db2.gz YXFNGPUSAAWINI-ZDUSSCGKSA-N 1 0 355.246 3.477 50 0 FGAARO CCOc1cc2c(cc1OCC)[C@@H](c1cc(OC)c(O)c(OC)c1)[NH2+]CC2 ZINC000020506841 494476006 /nfs/dbraw/zinc/47/60/06/494476006.db2.gz LNZOVBHULKPQJP-HXUWFJFHSA-N 1 0 373.449 3.442 50 0 FGAARO C[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(F)c1 ZINC000056422214 494503028 /nfs/dbraw/zinc/50/30/28/494503028.db2.gz JKQVLDCZSAYGFX-HNNXBMFYSA-N 1 0 356.445 3.246 50 0 FGAARO Cc1cc(-n2c(C)cc(C[NH2+][C@H](C)[C@@H](O)c3ccc(O)cc3)c2C)no1 ZINC000021841270 494507914 /nfs/dbraw/zinc/50/79/14/494507914.db2.gz AGAZFEWSWFCFEG-JLTOFOAXSA-N 1 0 355.438 3.308 50 0 FGAARO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCC[NH+]3CCCC3)c2c1 ZINC000021934302 494511368 /nfs/dbraw/zinc/51/13/68/494511368.db2.gz RCIUJANLKIXJMK-UHFFFAOYSA-N 1 0 360.461 3.431 50 0 FGAARO C[C@H](NC(=O)Nc1ccccc1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022027268 494513248 /nfs/dbraw/zinc/51/32/48/494513248.db2.gz IMWDNSMFAUWBPR-PXNSSMCTSA-N 1 0 352.482 3.185 50 0 FGAARO C[C@H](NC(=S)NC1CCCCC1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022027281 494513307 /nfs/dbraw/zinc/51/33/07/494513307.db2.gz VKSBBIVKECNHLR-PXNSSMCTSA-N 1 0 374.598 3.160 50 0 FGAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Br)c1OC ZINC000022076094 494513814 /nfs/dbraw/zinc/51/38/14/494513814.db2.gz WOGFVWUHXUNHNG-HNNXBMFYSA-N 1 0 366.255 3.290 50 0 FGAARO Cc1cccc(C[NH+]2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000022771309 494533280 /nfs/dbraw/zinc/53/32/80/494533280.db2.gz IEHYXJULPGGEHH-KRWDZBQOSA-N 1 0 362.477 3.110 50 0 FGAARO Cc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000022818293 494537298 /nfs/dbraw/zinc/53/72/98/494537298.db2.gz ZMSUQMJYVRFHTI-IBGZPJMESA-N 1 0 351.494 3.164 50 0 FGAARO CN(C)c1ncc(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)s1 ZINC000022851456 494539081 /nfs/dbraw/zinc/53/90/81/494539081.db2.gz HABBHTPWCIJHEC-SFHVURJKSA-N 1 0 358.555 3.348 50 0 FGAARO C[C@@H]1C[C@H](OC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000022926543 494541945 /nfs/dbraw/zinc/54/19/45/494541945.db2.gz SFIMEMADLNGLGG-HJNYFJLDSA-N 1 0 374.569 3.397 50 0 FGAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1cc2ccccc2oc1=O ZINC000023128022 494551452 /nfs/dbraw/zinc/55/14/52/494551452.db2.gz WQAGJLUNBCRJLX-UHFFFAOYSA-N 1 0 366.417 3.028 50 0 FGAARO OCC[C@H]1CN(Cc2ccc(O)c(Cl)c2)CC[N@@H+]1CC1CCCCC1 ZINC000023373633 494563448 /nfs/dbraw/zinc/56/34/48/494563448.db2.gz KLDZXOSWNCUWCR-SFHVURJKSA-N 1 0 366.933 3.495 50 0 FGAARO Cc1cc(NC(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)n(-c2ccccn2)n1 ZINC000023581739 494570860 /nfs/dbraw/zinc/57/08/60/494570860.db2.gz MPSNPLAVSKSIEL-ZDUSSCGKSA-N 1 0 353.451 3.314 50 0 FGAARO Cc1ccc2c(=O)cc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)oc2c1 ZINC000091441057 494599208 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498987577 /nfs/dbraw/zinc/98/75/77/498987577.db2.gz AVLUYDMKGPCTMC-QZTJIDSGSA-N 1 0 359.518 3.168 50 0 FGAARO O=C(NCC[C@@H]1CCCCO1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000426511566 500282338 /nfs/dbraw/zinc/28/23/38/500282338.db2.gz FDPXKAGOWHNHBO-NRFANRHFSA-N 1 0 371.525 3.178 50 0 FGAARO COc1ccc([C@H]([NH3+])CC(=O)NC2(Cc3ccc(C)cc3)CC2)cc1OC ZINC000426525952 500285035 /nfs/dbraw/zinc/28/50/35/500285035.db2.gz MLPCUKRWCPVJFM-GOSISDBHSA-N 1 0 368.477 3.294 50 0 FGAARO CCn1ccc2c1cccc2C[N@@H+]1CC[C@]2(OC)CC[C@@H](OCCO)C[C@H]12 ZINC000426538665 500286857 /nfs/dbraw/zinc/28/68/57/500286857.db2.gz VIZMPNWXFRFTLP-BVYCBKJFSA-N 1 0 372.509 3.182 50 0 FGAARO Cc1nc([C@H]2CCOC2)cc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000426624844 500296252 /nfs/dbraw/zinc/29/62/52/500296252.db2.gz SHPPXUHEYZAJTO-HNNXBMFYSA-N 1 0 358.873 3.269 50 0 FGAARO C[C@@H](NC(=O)N1CCC([NH+]2CCSCC2)CC1)c1ccc2[nH]ccc2c1 ZINC000426723865 500311025 /nfs/dbraw/zinc/31/10/25/500311025.db2.gz KQDFACBCKLRAPH-OAHLLOKOSA-N 1 0 372.538 3.452 50 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/nfs/dbraw/zinc/40/36/47/507403647.db2.gz MTWFBHLWFLRNGD-QXPKXGMISA-N 1 0 370.472 3.099 50 0 FGAARO Cc1ccc(CCNC(=O)N2CCC([NH+]3CCSCC3)CC2)c(C)c1 ZINC000584890346 507558765 /nfs/dbraw/zinc/55/87/65/507558765.db2.gz RNOZTDHVLCJFPF-UHFFFAOYSA-N 1 0 361.555 3.069 50 0 FGAARO CC(C)n1cnnc1CN(C)C(=O)c1ccc([C@H](C)[NH+]2CCCCC2)o1 ZINC000091645585 520055823 /nfs/dbraw/zinc/05/58/23/520055823.db2.gz FDERNMWLOGZWPZ-HNNXBMFYSA-N 1 0 359.474 3.271 50 0 FGAARO COc1cc(CNCC[NH+](C)C)c(Br)cc1OC1CCCC1 ZINC000020500670 522451167 /nfs/dbraw/zinc/45/11/67/522451167.db2.gz CNJVYJYZILDVQT-UHFFFAOYSA-N 1 0 371.319 3.430 50 0 FGAARO C[N@H+](Cc1nccn1Cc1ccccc1)[C@H]1CCOC2(CCOCC2)C1 ZINC000082133693 523596364 /nfs/dbraw/zinc/59/63/64/523596364.db2.gz UHKVZOMCPTWWTJ-IBGZPJMESA-N 1 0 355.482 3.091 50 0 FGAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cnc(SCc3ccccc3)nc1)C2 ZINC000091411559 524026601 /nfs/dbraw/zinc/02/66/01/524026601.db2.gz IJRJOXJQLUIDGX-IEBWSBKVSA-N 1 0 354.523 3.295 50 0 FGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)cc1 ZINC000020779191 524032757 /nfs/dbraw/zinc/03/27/57/524032757.db2.gz LLMSUFOKZNUGGY-NRFANRHFSA-N 1 0 354.494 3.072 50 0 FGAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000241942400 524084642 /nfs/dbraw/zinc/08/46/42/524084642.db2.gz UMGHEPOAVQTVIG-RBUKOAKNSA-N 1 0 372.557 3.323 50 0 FGAARO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)s1 ZINC000082087929 524448239 /nfs/dbraw/zinc/44/82/39/524448239.db2.gz AIZJGFDGCWWUIC-HXUWFJFHSA-N 1 0 372.538 3.227 50 0 FGAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000020109706 524735789 /nfs/dbraw/zinc/73/57/89/524735789.db2.gz OAVHWOCVMGKIRP-HXUWFJFHSA-N 1 0 374.912 3.348 50 0 FGAARO Cc1ccccc1CNC(=O)NCc1cc2n(n1)CCC[N@@H+](CC(C)C)C2 ZINC000082157523 525157543 /nfs/dbraw/zinc/15/75/43/525157543.db2.gz ZBICEKYOEIMBAR-UHFFFAOYSA-N 1 0 369.513 3.053 50 0 FGAARO C[C@H](NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)c1ccc2c(c1)CCCC2 ZINC000244574894 525259052 /nfs/dbraw/zinc/25/90/52/525259052.db2.gz CTEOGSIPTBJLTG-ZOCIIQOWSA-N 1 0 367.497 3.090 50 0 FGAARO Cc1ccc(-c2cccc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)c2)o1 ZINC000082167320 525757119 /nfs/dbraw/zinc/75/71/19/525757119.db2.gz ODCDGYBWPLYKRK-UHFFFAOYSA-N 1 0 368.477 3.439 50 0 FGAARO O=C(CCCc1cn(C[NH+]2CCCCC2)c2ccccc12)N1CCOCC1 ZINC000020649045 526462914 /nfs/dbraw/zinc/46/29/14/526462914.db2.gz JYQSJGGNJQPAHG-UHFFFAOYSA-N 1 0 369.509 3.266 50 0 FGAARO O=C(c1ccc(NCC2CC2)nc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000020449612 526701003 /nfs/dbraw/zinc/70/10/03/526701003.db2.gz FKOAOQVDOUOUBF-UHFFFAOYSA-N 1 0 356.514 3.384 50 0 FGAARO O=C(c1ccc([C@@H]2CCCO2)s1)N1CCC([NH+]2CCSCC2)CC1 ZINC000091694467 526712036 /nfs/dbraw/zinc/71/20/36/526712036.db2.gz AZDCLTDGRZKKNN-HNNXBMFYSA-N 1 0 366.552 3.253 50 0 FGAARO O=C(Cc1ccc(F)cc1)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000082106946 527231902 /nfs/dbraw/zinc/23/19/02/527231902.db2.gz DATIRFIYUZPDAS-UHFFFAOYSA-N 1 0 370.472 3.029 50 0 FGAARO COc1ccc(NC(=O)CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000002939444 536758255 /nfs/dbraw/zinc/75/82/55/536758255.db2.gz NOSHDQRGIDIZJX-UHFFFAOYSA-N 1 0 373.884 3.499 50 0 FGAARO COCCCC[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000426411461 570450405 /nfs/dbraw/zinc/45/04/05/570450405.db2.gz OEVOPQUTWKIXNZ-HNNXBMFYSA-N 1 0 353.894 3.155 50 0 FGAARO Cc1cnc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cn1 ZINC000048324466 570945621 /nfs/dbraw/zinc/94/56/21/570945621.db2.gz BAMUVUSDIJDITL-HOTGVXAUSA-N 1 0 352.482 3.193 50 0 FGAARO COc1ccc(Cl)cc1NC(=O)CC[N@H+](Cc1cnn(C)c1)C(C)C ZINC000048325266 570946095 /nfs/dbraw/zinc/94/60/95/570946095.db2.gz JLQJVTLIQDTOSG-UHFFFAOYSA-N 1 0 364.877 3.321 50 0 FGAARO CO[C@]12CC[N@H+](Cc3ccc(F)cc3Cl)[C@H]1C[C@@H](OCCO)CC2 ZINC000426386267 571217858 /nfs/dbraw/zinc/21/78/58/571217858.db2.gz GHGVWKCWFKPZAX-RYQLBKOJSA-N 1 0 357.853 3.000 50 0 FGAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)N1CC(c2ccncc2)C1 ZINC000426389602 571218848 /nfs/dbraw/zinc/21/88/48/571218848.db2.gz IYZCQISNMLKNOX-OAQYLSRUSA-N 1 0 364.493 3.418 50 0 FGAARO CC[NH+]1CCN(CCCNC(=O)[C@]2(c3ccccc3)CC23CCCC3)CC1 ZINC000426399482 571220373 /nfs/dbraw/zinc/22/03/73/571220373.db2.gz YWKYQNPLUJBKRX-HSZRJFAPSA-N 1 0 369.553 3.032 50 0 FGAARO CSCC[NH+]1CCC(NC(=O)c2ccc(-c3ccncc3F)cc2)CC1 ZINC000426402193 571220601 /nfs/dbraw/zinc/22/06/01/571220601.db2.gz ZACWYYVOQXZHQQ-UHFFFAOYSA-N 1 0 373.497 3.445 50 0 FGAARO COc1cccc([C@@H]2CCN2C(=O)c2cc(F)ccc2OCCC[NH3+])c1 ZINC000426412320 571221755 /nfs/dbraw/zinc/22/17/55/571221755.db2.gz BOKICXOOKWOESV-SFHVURJKSA-N 1 0 358.413 3.149 50 0 FGAARO C[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000426434831 571225140 /nfs/dbraw/zinc/22/51/40/571225140.db2.gz JWNWZDXDCJIXGL-OAQYLSRUSA-N 1 0 366.509 3.320 50 0 FGAARO CN(C)c1ccc(-c2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)cn1 ZINC000426442544 571225676 /nfs/dbraw/zinc/22/56/76/571225676.db2.gz MLFZMYZLGKTTJL-UHFFFAOYSA-N 1 0 352.482 3.030 50 0 FGAARO O=C(NCCCc1ccccc1)[C@H]1CC12CC[NH+]([C@H]1CCSC1)CC2 ZINC000012279248 695605362 /nfs/dbraw/zinc/60/53/62/695605362.db2.gz WEVFDXQPCUNLKK-RBUKOAKNSA-N 1 0 358.551 3.343 50 0 FGAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3cc4ccccc4s3)C2)C1=O ZINC000014961449 695615697 /nfs/dbraw/zinc/61/56/97/695615697.db2.gz GTVRJKVJGTVFLT-FQEVSTJZSA-N 1 0 358.507 3.362 50 0 FGAARO CC[NH2+][C@@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c32)C1 ZINC000019939973 695641075 /nfs/dbraw/zinc/64/10/75/695641075.db2.gz LYHOXPXYMSUYTN-OAHLLOKOSA-N 1 0 353.491 3.282 50 0 FGAARO COC[C@H]1CN(C(C)=O)CC12CC[NH+](Cc1ccc(F)cc1Cl)CC2 ZINC000169782756 705351821 /nfs/dbraw/zinc/35/18/21/705351821.db2.gz FBKOYASMEQOXPC-MRXNPFEDSA-N 1 0 368.880 3.186 50 0 FGAARO OC[C@@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)C[C@H]1c1ccsc1 ZINC000585084431 714507243 /nfs/dbraw/zinc/50/72/43/714507243.db2.gz CJHWXDKCYNIBKY-HOCLYGCPSA-N 1 0 357.504 3.475 50 0 FGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2ccccc2c(=O)s1 ZINC000828147346 729440674 /nfs/dbraw/zinc/44/06/74/729440674.db2.gz SXACCPQSXIQASK-DOTOQJQBSA-N 1 0 356.491 3.256 50 0 FGAARO C[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc2ncccc2c1 ZINC000952979140 762538705 /nfs/dbraw/zinc/53/87/05/762538705.db2.gz UWCZRBXKHTWZOW-UHFFFAOYSA-N 1 0 354.479 3.160 50 0 FGAARO CCc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)s1 ZINC000023127608 209704334 /nfs/dbraw/zinc/70/43/34/209704334.db2.gz OPHFYLNGPVAJNY-UHFFFAOYSA-N 1 0 356.557 3.243 50 0 FGAARO Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3C)s2)on1 ZINC000013595747 209580805 /nfs/dbraw/zinc/58/08/05/209580805.db2.gz RKDUFGVJKMFEBU-UHFFFAOYSA-N 1 0 358.467 3.500 50 0 FGAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000237443767 209348454 /nfs/dbraw/zinc/34/84/54/209348454.db2.gz ZRXDSEVRMYZSLJ-HOCLYGCPSA-N 1 0 354.425 3.256 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(Br)c1 ZINC000048356449 209331939 /nfs/dbraw/zinc/33/19/39/209331939.db2.gz UDZRPAPNXZPDDD-UHFFFAOYSA-N 1 0 374.282 3.239 50 0 FGAARO CCOC(=O)/C=C/c1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000048064689 209328138 /nfs/dbraw/zinc/32/81/38/209328138.db2.gz NHTSTBVTWPZGTB-ONOODXEBSA-N 1 0 359.470 3.259 50 0 FGAARO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cnc(-c2ccccc2)s1 ZINC000107263307 209275634 /nfs/dbraw/zinc/27/56/34/209275634.db2.gz FLEJTJOGFFRLGV-UHFFFAOYSA-N 1 0 366.490 3.409 50 0 FGAARO Cc1nc(CN(C)Cc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)no1 ZINC000105982569 209271090 /nfs/dbraw/zinc/27/10/90/209271090.db2.gz NEHFWCDMOUMLRD-MRXNPFEDSA-N 1 0 358.486 3.121 50 0 FGAARO O=c1occ(C[N@@H+]2CCc3ccccc3C2)c([O-])c1C[NH+]1CCCCCC1 ZINC000101373275 209224960 /nfs/dbraw/zinc/22/49/60/209224960.db2.gz XFLTWVPCRZWDHO-UHFFFAOYSA-N 1 0 368.477 3.280 50 0 FGAARO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000236811565 209198317 /nfs/dbraw/zinc/19/83/17/209198317.db2.gz HOBZYWABDVQZMU-UKRRQHHQSA-N 1 0 355.486 3.089 50 0 FGAARO Cc1ccccc1[C@H](CNC(=O)CCc1cnn(C)c1)[NH+]1CCC(C)CC1 ZINC000097775483 209196735 /nfs/dbraw/zinc/19/67/35/209196735.db2.gz QDKDFZCWEXTRGM-NRFANRHFSA-N 1 0 368.525 3.251 50 0 FGAARO COc1ccc(CN2C[C@@H]3CC[NH2+][C@@H]3C2)cc1OCc1ccccc1F ZINC000097522630 209184819 /nfs/dbraw/zinc/18/48/19/209184819.db2.gz CIDYOLBPUANRRO-QFBILLFUSA-N 1 0 356.441 3.207 50 0 FGAARO Cc1nn(C(C)C)c(C)c1CN1CC[N@H+](Cc2ccccc2)[C@H](CCO)C1 ZINC000097446926 209181966 /nfs/dbraw/zinc/18/19/66/209181966.db2.gz GBZMGZADINYULC-OAQYLSRUSA-N 1 0 370.541 3.150 50 0 FGAARO Cc1nc2cc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4C)C3)ccc2[nH]1 ZINC000097394045 209179717 /nfs/dbraw/zinc/17/97/17/209179717.db2.gz QLNOLOSNXNQFCK-KRWDZBQOSA-N 1 0 362.477 3.432 50 0 FGAARO C[N@@H+]1CCC[C@H]1CC(=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000097394349 209179411 /nfs/dbraw/zinc/17/94/11/209179411.db2.gz GXABUGMHVHDEAF-JCYILVPMSA-N 1 0 354.498 3.437 50 0 FGAARO C[C@H](c1nc(-c2ccncc2)nn1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000096159630 209127883 /nfs/dbraw/zinc/12/78/83/209127883.db2.gz NUXGQLYLFRZPDP-MRXNPFEDSA-N 1 0 354.502 3.154 50 0 FGAARO 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CC(C)[NH+]1CCC(CC(=O)NCc2nc(-c3ccccc3F)no2)CC1 ZINC000095529029 209078185 /nfs/dbraw/zinc/07/81/85/209078185.db2.gz BONCHKAMIZIHQF-UHFFFAOYSA-N 1 0 360.433 3.002 50 0 FGAARO c1ccc(CCC[N@@H+]2CCCN(c3cc([C@@H]4CCOC4)ncn3)CC2)cc1 ZINC000426438806 263590738 /nfs/dbraw/zinc/59/07/38/263590738.db2.gz GZZSOYYVLUSLBG-HXUWFJFHSA-N 1 0 366.509 3.125 50 0 FGAARO CC(=O)N(C)c1ccc(-c2ccc(C(=O)N3CCC[C@@H](C[NH3+])C3)cc2)cc1 ZINC000426589044 263640188 /nfs/dbraw/zinc/64/01/88/263640188.db2.gz NLHLKAVDFGGZPT-KRWDZBQOSA-N 1 0 365.477 3.147 50 0 FGAARO CCOC(=O)C[C@@H]1CC2=[N+](CCc3cc(OC)c(OC)cc32)C[C@@H]1CC ZINC000000638899 493766612 /nfs/dbraw/zinc/76/66/12/493766612.db2.gz GUUSKHLEUHKMSZ-HOCLYGCPSA-N 1 0 360.474 3.061 50 0 FGAARO O=C(CCc1nc2ccccc2[nH]1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000028035706 493773030 /nfs/dbraw/zinc/77/30/30/493773030.db2.gz KWEDTXBBOHBKIJ-UHFFFAOYSA-N 1 0 368.506 3.292 50 0 FGAARO COc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(OC)c1 ZINC000057615726 493778522 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C[NH+]1CCC(Nc2nnc(-c3nc(C4CC4)no3)c3ccccc32)CC1 ZINC000065258287 494183456 /nfs/dbraw/zinc/18/34/56/494183456.db2.gz AUFAJJDFUALSJE-UHFFFAOYSA-N 1 0 350.426 3.063 50 0 FGAARO c1ccc2c(c1)c(NCCC[NH+]1CCCC1)nnc2-c1nc(C2CC2)no1 ZINC000065258301 494183486 /nfs/dbraw/zinc/18/34/86/494183486.db2.gz ZEBFJUUHHMDYJH-UHFFFAOYSA-N 1 0 364.453 3.455 50 0 FGAARO CCc1ccc(C(=O)NCCNc2ccc(Nc3cc[nH+]cc3)nn2)cc1 ZINC000011697808 494188000 /nfs/dbraw/zinc/18/80/00/494188000.db2.gz MRDJTVIZDRCVCQ-UHFFFAOYSA-N 1 0 362.437 3.020 50 0 FGAARO CCc1ccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)cc1 ZINC000065363041 494191286 /nfs/dbraw/zinc/19/12/86/494191286.db2.gz YGGOTOQITMJARC-UHFFFAOYSA-N 1 0 368.485 3.181 50 0 FGAARO Cc1c2cc(C)ccc2[nH]c1C[NH2+]Cc1cccnc1N1CCC[C@H](O)C1 ZINC000011818657 494192511 /nfs/dbraw/zinc/19/25/11/494192511.db2.gz UOUMLIOKECZQSE-SFHVURJKSA-N 1 0 364.493 3.431 50 0 FGAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1cccc(C(=O)Nc2cnccn2)c1 ZINC000065435933 494197724 /nfs/dbraw/zinc/19/77/24/494197724.db2.gz 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3.264 50 0 FGAARO CC(=O)c1ccc(OCCCC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000079071526 494399779 /nfs/dbraw/zinc/39/97/79/494399779.db2.gz SUJTXMFEWCEGGU-UHFFFAOYSA-N 1 0 372.465 3.232 50 0 FGAARO Cc1cc(C)n(-c2cccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2)n1 ZINC000079189570 494417355 /nfs/dbraw/zinc/41/73/55/494417355.db2.gz ICWXCUCEWKUKGI-PZJWPPBQSA-N 1 0 366.509 3.483 50 0 FGAARO Cc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccccc4F)C3=O)c2c1 ZINC000018088246 494424070 /nfs/dbraw/zinc/42/40/70/494424070.db2.gz PHYBESJWJFKXMF-GOSISDBHSA-N 1 0 365.408 3.080 50 0 FGAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCCc3ccccc3)C2=O)cc1 ZINC000018137738 494425581 /nfs/dbraw/zinc/42/55/81/494425581.db2.gz RPOKQCNNSBILIY-HXUWFJFHSA-N 1 0 366.461 3.330 50 0 FGAARO CN1CC[NH+](C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000019885706 494463047 /nfs/dbraw/zinc/46/30/47/494463047.db2.gz DIDGJDIQEYQTQY-UHFFFAOYSA-N 1 0 363.505 3.206 50 0 FGAARO OCC[C@@H]1CN(Cc2cccc3cccnc32)CC[N@@H+]1C1CCCCC1 ZINC000020448895 494473277 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50 0 FGAARO CCc1c(C)scc1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC ZINC000091585883 494621384 /nfs/dbraw/zinc/62/13/84/494621384.db2.gz PQRHJEKEMYGOLZ-UHFFFAOYSA-N 1 0 372.538 3.352 50 0 FGAARO CC(C)[C@@H]1C=CC[N@@H+]1Cc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1 ZINC000067712958 494622820 /nfs/dbraw/zinc/62/28/20/494622820.db2.gz RJMPOWVJOAAYPZ-FQEVSTJZSA-N 1 0 363.461 3.434 50 0 FGAARO O=C(c1cc(F)cc(F)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091620817 494628519 /nfs/dbraw/zinc/62/85/19/494628519.db2.gz PKHCZZSSXWDEOS-HNAYVOBHSA-N 1 0 357.404 3.096 50 0 FGAARO [NH3+]CCCC(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067739641 494628457 /nfs/dbraw/zinc/62/84/57/494628457.db2.gz SIWOOMYZSSLVGJ-UHFFFAOYSA-N 1 0 360.461 3.367 50 0 FGAARO CN(Cc1nccs1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074868046 494628559 /nfs/dbraw/zinc/62/85/59/494628559.db2.gz DNNPYRSGNYMHCA-QGZVFWFLSA-N 1 0 358.511 3.197 50 0 FGAARO CSCCC[NH+]1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 ZINC000091645722 494637274 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O=C(COc1ccc(Cl)cc1)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000075107358 494690616 /nfs/dbraw/zinc/69/06/16/494690616.db2.gz XDSYMZRWBJUGHL-ROUUACIJSA-N 1 0 370.880 3.309 50 0 FGAARO O=C(COc1ccc(Cl)cc1)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000075107359 494690746 /nfs/dbraw/zinc/69/07/46/494690746.db2.gz XDSYMZRWBJUGHL-QZTJIDSGSA-N 1 0 370.880 3.309 50 0 FGAARO COc1ccc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1OC(F)F ZINC000025261836 494714777 /nfs/dbraw/zinc/71/47/77/494714777.db2.gz AVZQUBJWLSVQKI-CYBMUJFWSA-N 1 0 351.349 3.226 50 0 FGAARO Cc1cc(C(=O)N2CCCC3(CC[NH2+]CC3)CC2)c2cnn(C(C)C)c2n1 ZINC000067975110 494716264 /nfs/dbraw/zinc/71/62/64/494716264.db2.gz CJZPCNCKUJRCLI-UHFFFAOYSA-N 1 0 369.513 3.317 50 0 FGAARO CCOc1ccc(C[NH2+]CCOc2ccccn2)cc1Br ZINC000057354920 494719962 /nfs/dbraw/zinc/71/99/62/494719962.db2.gz IRAOMGFOWKBKCR-UHFFFAOYSA-N 1 0 351.244 3.411 50 0 FGAARO COc1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)cc2c1OCCO2 ZINC000025362489 494729091 /nfs/dbraw/zinc/72/90/91/494729091.db2.gz 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CC(C)C[NH+]1CCC(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000175691820 496503014 /nfs/dbraw/zinc/50/30/14/496503014.db2.gz PFVSNYDZAPODDM-OAQYLSRUSA-N 1 0 373.541 3.188 50 0 FGAARO C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc2c(c1)OCCO2 ZINC000188507250 496813915 /nfs/dbraw/zinc/81/39/15/496813915.db2.gz VLXGLHXHSQAMNQ-ZDUSSCGKSA-N 1 0 358.404 3.383 50 0 FGAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1F)C[C@H]1CCCO1 ZINC000247747005 496911327 /nfs/dbraw/zinc/91/13/27/496911327.db2.gz RWVFZEGBTGFREU-LEWJYISDSA-N 1 0 373.468 3.384 50 0 FGAARO c1ccc(CNc2ncc(C[NH+]3CCC(c4ccncn4)CC3)cn2)cc1 ZINC000215055845 496977991 /nfs/dbraw/zinc/97/79/91/496977991.db2.gz BMZSQRAJAUPRPR-UHFFFAOYSA-N 1 0 360.465 3.258 50 0 FGAARO Fc1ccc(-n2cccn2)c(CN2CCC([NH+]3CCSCC3)CC2)c1 ZINC000215153875 496978891 /nfs/dbraw/zinc/97/88/91/496978891.db2.gz MLGDDVGHXQHNCJ-UHFFFAOYSA-N 1 0 360.502 3.025 50 0 FGAARO O=C(CC[NH+]1CCCCC1)N1CCc2[nH]c(-c3ccc(Cl)cc3)nc2C1 ZINC000215498178 496980731 /nfs/dbraw/zinc/98/07/31/496980731.db2.gz 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3.326 50 0 FGAARO C[C@]12C[N@H+](CCC(=O)c3ccccc3)[C@@H](c3ccccc3)C[C@@]1(O)OCO2 ZINC000252625914 497314258 /nfs/dbraw/zinc/31/42/58/497314258.db2.gz QRZNVRPRWKSBIA-BAGYTPMASA-N 1 0 367.445 3.158 50 0 FGAARO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(OC)ccc1OC(F)F ZINC000253426599 497333689 /nfs/dbraw/zinc/33/36/89/497333689.db2.gz UGZNGZPMZZPDSV-LBPRGKRZSA-N 1 0 357.401 3.293 50 0 FGAARO COCCc1noc([C@@H]2CCCCN2Cc2cc(-c3ccncc3)no2)n1 ZINC000244659501 497365823 /nfs/dbraw/zinc/36/58/23/497365823.db2.gz HDTFRVDHUJWDBN-KRWDZBQOSA-N 1 0 369.425 3.036 50 0 FGAARO O=c1cc(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)nc2sccn21 ZINC000244626472 497366774 /nfs/dbraw/zinc/36/67/74/497366774.db2.gz FMIOLVNZEUVJRG-KRWDZBQOSA-N 1 0 354.479 3.138 50 0 FGAARO Cc1cc(N2CCCN(C(=O)COc3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000244723857 497369071 /nfs/dbraw/zinc/36/90/71/497369071.db2.gz MIVMVKSWCWECKX-UHFFFAOYSA-N 1 0 359.857 3.161 50 0 FGAARO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(c2ccncn2)CC1 ZINC000244787864 497370100 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CCN1CC2(C[C@@H]1c1nnc(C)o1)CC[NH+](CCc1ccccc1)CC2 ZINC000257192359 497387905 /nfs/dbraw/zinc/38/79/05/497387905.db2.gz UFLQZHHSJAITFR-LJQANCHMSA-N 1 0 354.498 3.470 50 0 FGAARO C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000261735709 497442078 /nfs/dbraw/zinc/44/20/78/497442078.db2.gz NHCOVVSDXSOZFQ-NXEZZACHSA-N 1 0 370.824 3.025 50 0 FGAARO Cc1cccc2nc(CNC(=O)C[NH+]3CCC(c4ccccc4)CC3)cn21 ZINC000299757494 497913905 /nfs/dbraw/zinc/91/39/05/497913905.db2.gz KKWLUCGULKVHQY-UHFFFAOYSA-N 1 0 362.477 3.139 50 0 FGAARO C[C@H](CNC(=O)c1ccc(C[NH+]2CCC(C)CC2)o1)Oc1cccnc1 ZINC000299764488 497915005 /nfs/dbraw/zinc/91/50/05/497915005.db2.gz HOAUUQAYTHPVQM-MRXNPFEDSA-N 1 0 357.454 3.104 50 0 FGAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccn3cnnc23)cc1 ZINC000299771002 497918657 /nfs/dbraw/zinc/91/86/57/497918657.db2.gz ULEVWEXDSIKZJH-IBGZPJMESA-N 1 0 363.465 3.158 50 0 FGAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CCC[C@H]2c2ccccc2)c1 ZINC000299785303 497923666 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O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000332998337 498862814 /nfs/dbraw/zinc/86/28/14/498862814.db2.gz AMGJXOFKVYUPCU-PMACEKPBSA-N 1 0 358.482 3.089 50 0 FGAARO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cccc(OC4CCCC4)c3)CC2)C1 ZINC000333258680 498956749 /nfs/dbraw/zinc/95/67/49/498956749.db2.gz INECMJYYBLYLSN-WIYYLYMNSA-N 1 0 372.509 3.367 50 0 FGAARO OC[C@@H]1CCCCN1c1cc(N2CCC[C@@H]2Cc2ccc(F)cc2)ncn1 ZINC000333409462 499000127 /nfs/dbraw/zinc/00/01/27/499000127.db2.gz GROXYFRWOJTCAO-MOPGFXCFSA-N 1 0 370.472 3.178 50 0 FGAARO O=S(=O)(c1cccc2cnccc21)N1CCC[N@@H+]([C@@H]2C=CCCC2)CC1 ZINC000329419025 499118160 /nfs/dbraw/zinc/11/81/60/499118160.db2.gz DWUZTELWPCIMOR-GOSISDBHSA-N 1 0 371.506 3.040 50 0 FGAARO CSc1ccc(-c2ccc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2)cc1 ZINC000426493261 500279408 /nfs/dbraw/zinc/27/94/08/500279408.db2.gz SLNLQIWACNUJBC-IBGZPJMESA-N 1 0 369.534 3.051 50 0 FGAARO CN(C)c1cccc(-c2ccc(C(=O)N3C[C@H]4[C@H](C[NH+](C)C)[C@H]4C3)cc2)c1 ZINC000426502804 500281062 /nfs/dbraw/zinc/28/10/62/500281062.db2.gz ALXOKKQPAZQCAF-DKUWSORSSA-N 1 0 363.505 3.299 50 0 FGAARO CO[C@]12CC[N@H+](Cc3c(F)cccc3Cl)[C@H]1C[C@@H](OCCO)CC2 ZINC000426502843 500281436 /nfs/dbraw/zinc/28/14/36/500281436.db2.gz FHTHRVMRHFGUIW-DOPJRALCSA-N 1 0 357.853 3.000 50 0 FGAARO CC(=O)c1ccc(F)cc1-c1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000426510140 500282361 /nfs/dbraw/zinc/28/23/61/500282361.db2.gz LCLZVGYNPKXSQB-OXJNMPFZSA-N 1 0 352.409 3.129 50 0 FGAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)N1CCC(c2cccc(O)c2)CC1 ZINC000426535892 500286375 /nfs/dbraw/zinc/28/63/75/500286375.db2.gz OMPWZDKGEWJKAD-UHFFFAOYSA-N 1 0 374.868 3.403 50 0 FGAARO Cc1n[nH]c(C)c1-c1cccc(C(=O)NC[C@@H]2Cc3ccccc3C[N@H+]2C)c1 ZINC000426593703 500292870 /nfs/dbraw/zinc/29/28/70/500292870.db2.gz KSITVVRMMRTTCI-NRFANRHFSA-N 1 0 374.488 3.480 50 0 FGAARO C[NH+](C)CCN(CCO)C(=O)c1cccc(-c2ccc(Cl)cc2F)c1 ZINC000426604540 500293883 /nfs/dbraw/zinc/29/38/83/500293883.db2.gz PXVREPWIZRRGCL-UHFFFAOYSA-N 1 0 364.848 3.142 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CCCc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)n(C)n1 ZINC000082126902 521358896 /nfs/dbraw/zinc/35/88/96/521358896.db2.gz GTQPHASIJVCHOZ-IBGZPJMESA-N 1 0 358.461 3.079 50 0 FGAARO CCCn1ncc(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)c1C ZINC000091440973 521671180 /nfs/dbraw/zinc/67/11/80/521671180.db2.gz MAJQQUUNNUZCFP-IBGZPJMESA-N 1 0 354.498 3.211 50 0 FGAARO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCNC3=O)ccc1OCC=C(C)C ZINC000091433972 522398803 /nfs/dbraw/zinc/39/88/03/522398803.db2.gz YHZGNWCIFYAZLK-NRFANRHFSA-N 1 0 358.482 3.142 50 0 FGAARO CC[C@@H](NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)c1c(C)noc1C ZINC000089947781 522787048 /nfs/dbraw/zinc/78/70/48/522787048.db2.gz TZIYBPFDRFDXSF-LJQANCHMSA-N 1 0 370.497 3.314 50 0 FGAARO CCn1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(OC)cc2)C3)cn1 ZINC000091487145 523376876 /nfs/dbraw/zinc/37/68/76/523376876.db2.gz DVDNPPDLDBXFMP-AZUAARDMSA-N 1 0 354.498 3.008 50 0 FGAARO COCCN1C[C@@]2(CCC[N@H+](CCCC(=O)c3ccccc3)C2)CCC1=O ZINC000091626038 523884047 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FGAARO CCCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000084744459 571098770 /nfs/dbraw/zinc/09/87/70/571098770.db2.gz WVMGWIMIYTXAPE-UHFFFAOYSA-N 1 0 362.898 3.163 50 0 FGAARO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C)c1cc2cnccc2o1 ZINC000685941439 571101072 /nfs/dbraw/zinc/10/10/72/571101072.db2.gz WUKFEUNXFIHOQS-UMVBOHGHSA-N 1 0 355.442 3.114 50 0 FGAARO C[NH+](C)CCOc1ccccc1-c1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000426442901 571225727 /nfs/dbraw/zinc/22/57/27/571225727.db2.gz KDFPISNRYJIMIM-LJQANCHMSA-N 1 0 368.477 3.203 50 0 FGAARO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCCn2ccnc21 ZINC000585091229 571320263 /nfs/dbraw/zinc/32/02/63/571320263.db2.gz OGYVPDFAKGKQIK-CQSZACIVSA-N 1 0 362.861 3.307 50 0 FGAARO Cc1ncnc(C)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670456121 571353975 /nfs/dbraw/zinc/35/39/75/571353975.db2.gz CNHXVXPJURYHLQ-LJQANCHMSA-N 1 0 352.482 3.441 50 0 FGAARO FC(F)(F)c1ccccc1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000012764327 695607596 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COc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C(C)C ZINC000000811011 209378049 /nfs/dbraw/zinc/37/80/49/209378049.db2.gz GHCNXBLNPBMGLM-UHFFFAOYSA-N 1 0 368.543 3.406 50 0 FGAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(F)c(Cl)c2)C1 ZINC000237442607 209348141 /nfs/dbraw/zinc/34/81/41/209348141.db2.gz FIQVIQWNQSAIBB-JQWIXIFHSA-N 1 0 350.825 3.069 50 0 FGAARO Cc1nn(C)c(C)c1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000237704034 209352179 /nfs/dbraw/zinc/35/21/79/209352179.db2.gz LTALJCDDLIJCQL-UHFFFAOYSA-N 1 0 362.271 3.365 50 0 FGAARO Cc1nn(-c2ccc(C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)cc2)c(C)c1Cl ZINC000237506561 209350461 /nfs/dbraw/zinc/35/04/61/209350461.db2.gz CFWCKQWDGYEMEJ-BLLLJJGKSA-N 1 0 360.889 3.342 50 0 FGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCc2ccc(Br)cc2F)C1 ZINC000237465735 209349903 /nfs/dbraw/zinc/34/99/03/209349903.db2.gz XGLJJAIOFXHQAG-WCQYABFASA-N 1 0 357.267 3.107 50 0 FGAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000237264551 209342690 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CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000097757802 209194612 /nfs/dbraw/zinc/19/46/12/209194612.db2.gz FMOZSWOFBVIAQL-ZDUSSCGKSA-N 1 0 353.850 3.250 50 0 FGAARO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236639320 209193594 /nfs/dbraw/zinc/19/35/94/209193594.db2.gz CNMMFUDIXMCWRL-ZNMIVQPWSA-N 1 0 352.910 3.292 50 0 FGAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(Cc3nc(C)no3)CC2)cc1 ZINC000097635079 209189755 /nfs/dbraw/zinc/18/97/55/209189755.db2.gz OWIMDMDBUZRHLO-UHFFFAOYSA-N 1 0 367.453 3.231 50 0 FGAARO O=C(CCCc1cn[nH]c1)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000097654022 209189792 /nfs/dbraw/zinc/18/97/92/209189792.db2.gz JKLOXJQCROMNHF-FQEVSTJZSA-N 1 0 354.498 3.466 50 0 FGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000097465620 209181366 /nfs/dbraw/zinc/18/13/66/209181366.db2.gz SICYCBGTGFWUJQ-CQSZACIVSA-N 1 0 352.404 3.359 50 0 FGAARO Cc1nc2cc(C(=O)N3CCC([NH+]4CCSCC4)CC3)ccc2s1 ZINC000097155866 209172071 /nfs/dbraw/zinc/17/20/71/209172071.db2.gz SEQPZNCBBDHJRN-UHFFFAOYSA-N 1 0 361.536 3.258 50 0 FGAARO COc1ccc(/C=C\C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000096585387 209156422 /nfs/dbraw/zinc/15/64/22/209156422.db2.gz ASISJWQWSGZSBK-JQYPEGPJSA-N 1 0 366.461 3.108 50 0 FGAARO COc1cccc2c1OCC(C[N@@H+]1CCC[C@H]1c1ccc(C(N)=O)s1)=C2 ZINC000096449022 209153297 /nfs/dbraw/zinc/15/32/97/209153297.db2.gz OHNUPNMHNYAYLL-HNNXBMFYSA-N 1 0 370.474 3.469 50 0 FGAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000096167204 209130424 /nfs/dbraw/zinc/13/04/24/209130424.db2.gz YIZKRGCEBYMZBJ-QGZVFWFLSA-N 1 0 367.493 3.295 50 0 FGAARO c1ccc(-c2ccnc(NCC3([NH+]4CCOCC4)CCCCCC3)n2)nc1 ZINC000096166928 209130245 /nfs/dbraw/zinc/13/02/45/209130245.db2.gz MIBTWTMCWFTHIG-UHFFFAOYSA-N 1 0 367.497 3.376 50 0 FGAARO CCc1nc(C)c(-c2nc(CC3CC[NH+](C)CC3)nn2CC(F)(F)F)o1 ZINC000096141154 209120720 /nfs/dbraw/zinc/12/07/20/209120720.db2.gz DUCVDZUYNVJMQK-UHFFFAOYSA-N 1 0 371.407 3.251 50 0 FGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(N3CCCC3=O)ccc2C)C1 ZINC000299794698 206655299 /nfs/dbraw/zinc/65/52/99/206655299.db2.gz MHDORMLHFDAITH-QGZVFWFLSA-N 1 0 358.486 3.070 50 0 FGAARO COc1ccc(CN2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c(OC)c1OC ZINC000019496157 220261036 /nfs/dbraw/zinc/26/10/36/220261036.db2.gz MQQNSGUELLSMFA-WMZOPIPTSA-N 1 0 362.514 3.409 50 0 FGAARO C[NH+](C)CCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000000855388 206839821 /nfs/dbraw/zinc/83/98/21/206839821.db2.gz DFRGGGNLDONLIS-UHFFFAOYSA-N 1 0 371.506 3.171 50 0 FGAARO COc1ccccc1C(=O)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515217 206919587 /nfs/dbraw/zinc/91/95/87/206919587.db2.gz MRMUBOUHPRDEOJ-UHFFFAOYSA-N 1 0 367.445 3.265 50 0 FGAARO CC(C)OCCC[NH2+]C[C@@H](O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000002663810 206928096 /nfs/dbraw/zinc/92/80/96/206928096.db2.gz MIXMFXQKMOHRTN-HXUWFJFHSA-N 1 0 371.477 3.062 50 0 FGAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)NCCc1ccc(F)cc1 ZINC000003345604 206972627 /nfs/dbraw/zinc/97/26/27/206972627.db2.gz XFVUGPJKAZGWDQ-UHFFFAOYSA-N 1 0 354.469 3.439 50 0 FGAARO O=C1C[C@H]([NH2+]CCc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000004535381 207026502 /nfs/dbraw/zinc/02/65/02/207026502.db2.gz IOEDRPUGGDDFKT-INIZCTEOSA-N 1 0 363.244 3.458 50 0 FGAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004857056 207055684 /nfs/dbraw/zinc/05/56/84/207055684.db2.gz JNWSISHNEOKSIN-ZIAGYGMSSA-N 1 0 357.454 3.179 50 0 FGAARO Cn1nnnc1SCCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000004993859 207069794 /nfs/dbraw/zinc/06/97/94/207069794.db2.gz ZCFAKJIEKBVWGM-UHFFFAOYSA-N 1 0 369.494 3.061 50 0 FGAARO C[NH+](C)CCNC(=O)c1cc(-c2cccnc2)nc2c(Cl)cccc12 ZINC000005048703 207076910 /nfs/dbraw/zinc/07/69/10/207076910.db2.gz JSXPHPIYQFHFPZ-UHFFFAOYSA-N 1 0 354.841 3.242 50 0 FGAARO O=C(C1CC[NH+](C[C@H]2CC=CCC2)CC1)N(CCO)Cc1ccccc1 ZINC000006596946 207149281 /nfs/dbraw/zinc/14/92/81/207149281.db2.gz ZESDMLGPWKUNES-IBGZPJMESA-N 1 0 356.510 3.076 50 0 FGAARO CC(C)c1ccc(NC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)cc1 ZINC000006800217 207165762 /nfs/dbraw/zinc/16/57/62/207165762.db2.gz WQYZVTBSTBPBLP-UHFFFAOYSA-N 1 0 354.454 3.483 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Br)Cc1ccccc1 ZINC000007683581 207201461 /nfs/dbraw/zinc/20/14/61/207201461.db2.gz IOGBYMVDVJLNNC-OAHLLOKOSA-N 1 0 361.283 3.352 50 0 FGAARO COc1ccc(CNC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)cc1OC ZINC000008038168 207217676 /nfs/dbraw/zinc/21/76/76/207217676.db2.gz HRTYRPSYGBXUQD-IBGZPJMESA-N 1 0 368.477 3.329 50 0 FGAARO Cc1cc(=O)n2c(n1)NC(=[NH+]C1CCCCC1)N[C@H]2c1ccc(Cl)cc1 ZINC000009196233 207261088 /nfs/dbraw/zinc/26/10/88/207261088.db2.gz GSMLVTQTEOZZND-QGZVFWFLSA-N 1 0 371.872 3.456 50 0 FGAARO CC(C)CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011771718 207322119 /nfs/dbraw/zinc/32/21/19/207322119.db2.gz HYAUKKOKKWIIKT-OAQYLSRUSA-N 1 0 371.569 3.477 50 0 FGAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@H+](Cc1cccn1-c1cccnc1)C2 ZINC000011821356 207322958 /nfs/dbraw/zinc/32/29/58/207322958.db2.gz PTZFDJVIUUKGPO-QFIPXVFZSA-N 1 0 364.493 3.097 50 0 FGAARO Cc1cc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)nc(C)n1 ZINC000011841215 207325242 /nfs/dbraw/zinc/32/52/42/207325242.db2.gz RQWALPOUVKDSEM-FQEVSTJZSA-N 1 0 366.509 3.263 50 0 FGAARO CCCC[C@H]1C[N@H+](CCC(=O)N[C@@H](CC)COC)Cc2ccccc2O1 ZINC000012164567 207345310 /nfs/dbraw/zinc/34/53/10/207345310.db2.gz GUIASCYHKRRLRE-OALUTQOASA-N 1 0 362.514 3.371 50 0 FGAARO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cnc(C)nc4)C3)C2=O)c1 ZINC000012299206 207355724 /nfs/dbraw/zinc/35/57/24/207355724.db2.gz PYTRFPXOJRNBLN-QFIPXVFZSA-N 1 0 364.493 3.108 50 0 FGAARO COc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCCN(CC1CC1)C3=O)CCC2 ZINC000012385812 207367617 /nfs/dbraw/zinc/36/76/17/207367617.db2.gz ZXZUWWXPUIHDRC-HSZRJFAPSA-N 1 0 368.521 3.408 50 0 FGAARO CC(C)(CO)[NH2+]Cc1cc(Br)ccc1OCc1cccnc1 ZINC000012381818 207368435 /nfs/dbraw/zinc/36/84/35/207368435.db2.gz VJBSBJLBMKBZDR-UHFFFAOYSA-N 1 0 365.271 3.284 50 0 FGAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3cn(C)nc3C)C2)cc1C ZINC000012439039 207377324 /nfs/dbraw/zinc/37/73/24/207377324.db2.gz KYFOTAPMJGNFQS-QGZVFWFLSA-N 1 0 355.482 3.449 50 0 FGAARO CN1CCC([NH2+]Cc2ccc(OCc3cn4ccccc4n3)cc2)CC1 ZINC000012538939 207389051 /nfs/dbraw/zinc/38/90/51/207389051.db2.gz KCSFBRROFCIXRL-UHFFFAOYSA-N 1 0 350.466 3.097 50 0 FGAARO C[C@H](CNC(=O)c1ccoc1)Oc1cccc(C[NH+]2CCSCC2)c1 ZINC000012571828 207396953 /nfs/dbraw/zinc/39/69/53/207396953.db2.gz GXLKYAHPERBSJP-OAHLLOKOSA-N 1 0 360.479 3.026 50 0 FGAARO C[NH+](C)Cc1cc(-c2cccnc2)ccc1OCC(=O)NCc1ccco1 ZINC000015008547 207537087 /nfs/dbraw/zinc/53/70/87/207537087.db2.gz SCLXPNGXDREAIX-UHFFFAOYSA-N 1 0 365.433 3.098 50 0 FGAARO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000015362001 207553485 /nfs/dbraw/zinc/55/34/85/207553485.db2.gz UPOSDEGKUMSFKP-UHFFFAOYSA-N 1 0 372.534 3.496 50 0 FGAARO O=C(Nc1ccnn1Cc1cccnc1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023478974 207846257 /nfs/dbraw/zinc/84/62/57/207846257.db2.gz NLCGNZFEQMKFMW-CQSZACIVSA-N 1 0 353.451 3.065 50 0 FGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000040157099 207984793 /nfs/dbraw/zinc/98/47/93/207984793.db2.gz WRKJFKXKCSRNLQ-HUUCEWRRSA-N 1 0 358.935 3.376 50 0 FGAARO Brc1csc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000030634449 208001950 /nfs/dbraw/zinc/00/19/50/208001950.db2.gz XCZVYEQPRDDMLR-UHFFFAOYSA-N 1 0 363.284 3.440 50 0 FGAARO CC(=O)N[C@H](CC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccc(C)cc1 ZINC000032736288 208037765 /nfs/dbraw/zinc/03/77/65/208037765.db2.gz BTOSOKFUVPEFGM-MSOLQXFVSA-N 1 0 373.522 3.043 50 0 FGAARO Cc1ccc(S(=O)(=O)N2CCC(C[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000032951951 208060370 /nfs/dbraw/zinc/06/03/70/208060370.db2.gz VFVDXNYQORWGHK-QGZVFWFLSA-N 1 0 350.528 3.128 50 0 FGAARO CC(=O)NC1CC[NH+](Cc2ccc(OCCc3ccccc3)cc2)CC1 ZINC000034807806 208111619 /nfs/dbraw/zinc/11/16/19/208111619.db2.gz XDDJWJGCYGKXKT-UHFFFAOYSA-N 1 0 352.478 3.409 50 0 FGAARO Cc1cccc(-c2nc(NCC[NH+](C)C)nc3nn(C(C)(C)C)c(N)c32)c1 ZINC000037360668 208178858 /nfs/dbraw/zinc/17/88/58/208178858.db2.gz DEGSMWCZNZNYQS-UHFFFAOYSA-N 1 0 367.501 3.112 50 0 FGAARO O=C(NCCc1ccccc1)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077104354 208196349 /nfs/dbraw/zinc/19/63/49/208196349.db2.gz NMSCEYXPZVKBFZ-UHFFFAOYSA-N 1 0 357.523 3.469 50 0 FGAARO CCCn1ncc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)c1C ZINC000039543851 208212717 /nfs/dbraw/zinc/21/27/17/208212717.db2.gz LPIQJYJCTPSTNE-OAQYLSRUSA-N 1 0 362.562 3.050 50 0 FGAARO CCC(CC)[C@H](CNC(=O)Cc1cccc2cccnc21)[NH+]1CCOCC1 ZINC000040087038 208223630 /nfs/dbraw/zinc/22/36/30/208223630.db2.gz JNOJZAKXXZSWCO-FQEVSTJZSA-N 1 0 369.509 3.031 50 0 FGAARO Cc1cc(C)n(CC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n1 ZINC000040121393 208230864 /nfs/dbraw/zinc/23/08/64/208230864.db2.gz MVEZYUPOZKKIGC-IRXDYDNUSA-N 1 0 368.525 3.294 50 0 FGAARO CCCOc1ccc2ccccc2c1C[NH2+]CCSc1nnnn1C ZINC000040721846 208264308 /nfs/dbraw/zinc/26/43/08/208264308.db2.gz HQOQCUQJUNOMSY-UHFFFAOYSA-N 1 0 357.483 3.034 50 0 FGAARO CC(C)C[NH+]1CCC(NC(=O)NCc2csc(Br)c2)CC1 ZINC000045463173 208334107 /nfs/dbraw/zinc/33/41/07/208334107.db2.gz BFBDFFOECRRVGH-UHFFFAOYSA-N 1 0 374.348 3.430 50 0 FGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)C1 ZINC000299740038 208325916 /nfs/dbraw/zinc/32/59/16/208325916.db2.gz UURRGQWQFUMGEN-ZCDTZLGTSA-N 1 0 351.288 3.138 50 0 FGAARO COc1cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1OC(F)F ZINC000047415849 208377562 /nfs/dbraw/zinc/37/75/62/208377562.db2.gz ZMIXVNSRUVPTSX-ZIAGYGMSSA-N 1 0 370.440 3.394 50 0 FGAARO COc1cccc([C@@H](CNC(=O)Cn2c(C)cc3ccccc32)[NH+](C)C)c1 ZINC000048290858 208398612 /nfs/dbraw/zinc/39/86/12/208398612.db2.gz YOWJVRNEEQMQBL-OAQYLSRUSA-N 1 0 365.477 3.377 50 0 FGAARO O[C@@H]1C[N@H+](Cc2cnc(-c3ccccn3)nc2)CC[C@H]1c1ccc(F)cc1 ZINC000065534022 208688817 /nfs/dbraw/zinc/68/88/17/208688817.db2.gz VYBHBDWVBLLIGU-AZUAARDMSA-N 1 0 364.424 3.028 50 0 FGAARO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)ccc1F ZINC000091906647 209004313 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COc1cccc(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1 ZINC000095361875 209029360 /nfs/dbraw/zinc/02/93/60/209029360.db2.gz YTWAKXGPGLHJER-NHCUHLMSSA-N 1 0 364.489 3.361 50 0 FGAARO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)C1 ZINC000095366245 209031261 /nfs/dbraw/zinc/03/12/61/209031261.db2.gz GHVSZECHCDQCTB-OAHLLOKOSA-N 1 0 366.440 3.341 50 0 FGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000095378272 209038709 /nfs/dbraw/zinc/03/87/09/209038709.db2.gz TWDOVNMZHRGTGB-ZDUSSCGKSA-N 1 0 366.918 3.179 50 0 FGAARO O=C(NCCCn1ncc2ccccc21)C1CC[NH+](Cc2ccco2)CC1 ZINC000095382679 209043039 /nfs/dbraw/zinc/04/30/39/209043039.db2.gz YOIUHOZAUYXGEK-UHFFFAOYSA-N 1 0 366.465 3.048 50 0 FGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C1 ZINC000095446386 209051172 /nfs/dbraw/zinc/05/11/72/209051172.db2.gz CVTIZHZVSCSHCM-GFCCVEGCSA-N 1 0 351.401 3.449 50 0 FGAARO C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000095456060 209051923 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354.498 3.479 50 0 FGAARO Cc1nc2ccccn2c1C(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071638766 494094247 /nfs/dbraw/zinc/09/42/47/494094247.db2.gz AUPSQAIXUWFFFA-SFHVURJKSA-N 1 0 354.498 3.225 50 0 FGAARO CC(C)[C@H]1CN(C(=O)c2ccc(O)cn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071639191 494095256 /nfs/dbraw/zinc/09/52/56/494095256.db2.gz MPUGWLGKLQKDES-HXUWFJFHSA-N 1 0 371.456 3.299 50 0 FGAARO Cc1ncc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)[nH]1 ZINC000071715069 494095430 /nfs/dbraw/zinc/09/54/30/494095430.db2.gz VLRODXWSAXVMIW-IBGZPJMESA-N 1 0 358.461 3.116 50 0 FGAARO Cc1nc[nH]c1C[N@@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071681339 494095771 /nfs/dbraw/zinc/09/57/71/494095771.db2.gz HKRPUQFIHKJWHU-CWFSZBLJSA-N 1 0 358.436 3.059 50 0 FGAARO Cc1ccccc1CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071751218 494097885 /nfs/dbraw/zinc/09/78/85/494097885.db2.gz DJLZSMCLKVJZOY-NRFANRHFSA-N 1 0 369.553 3.294 50 0 FGAARO Cc1nccn1CC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071752875 494098276 /nfs/dbraw/zinc/09/82/76/494098276.db2.gz UXCDWAPLCVVHBS-HXUWFJFHSA-N 1 0 372.488 3.090 50 0 FGAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000071762736 494099569 /nfs/dbraw/zinc/09/95/69/494099569.db2.gz VPRDOSGBBDJRKQ-UHFFFAOYSA-N 1 0 359.857 3.406 50 0 FGAARO Cc1nc([C@H]2CCC[N@H+](Cc3cnc(CC4CCCC4)[nH]3)C2)cc(=O)[nH]1 ZINC000072125590 494129894 /nfs/dbraw/zinc/12/98/94/494129894.db2.gz LFXMQRVETMHKKC-INIZCTEOSA-N 1 0 355.486 3.326 50 0 FGAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@]2(C1)c1ccccc1NC2=O ZINC000072129516 494130297 /nfs/dbraw/zinc/13/02/97/494130297.db2.gz AOUTXVRZDATWDP-JOCHJYFZSA-N 1 0 358.445 3.424 50 0 FGAARO COc1cc(OC)c(C[N@@H+]2CCC[C@@H](Cn3ccnc3C)C2)c(OC)c1 ZINC000072130823 494130781 /nfs/dbraw/zinc/13/07/81/494130781.db2.gz UHNPQJYBYLSULK-MRXNPFEDSA-N 1 0 359.470 3.130 50 0 FGAARO CC(C)[C@H](CNC(=O)c1cccc(C[S@@](C)=O)c1)[NH+]1CCC(C)CC1 ZINC000040089272 494131055 /nfs/dbraw/zinc/13/10/55/494131055.db2.gz FFBWWPJUWMLVTG-DFBJGRDBSA-N 1 0 364.555 3.051 50 0 FGAARO CCCc1nc(CNc2nc(-c3cccnc3)nc3c2C[NH2+]C3)cs1 ZINC000072135511 494132191 /nfs/dbraw/zinc/13/21/91/494132191.db2.gz CLHCAMUOSTWEJT-UHFFFAOYSA-N 1 0 352.467 3.163 50 0 FGAARO COc1cccc(CNC(=O)C2([NH+]3CCCCC3)Cc3ccccc3C2)c1 ZINC000072143560 494133540 /nfs/dbraw/zinc/13/35/40/494133540.db2.gz HWMRPGZGQXICDL-UHFFFAOYSA-N 1 0 364.489 3.335 50 0 FGAARO CCCn1ccnc1CN1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072146086 494134290 /nfs/dbraw/zinc/13/42/90/494134290.db2.gz PEJJQTFCQMFUJA-CEMLEFRQSA-N 1 0 350.510 3.355 50 0 FGAARO O=C(CCC(F)(F)F)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072152530 494136045 /nfs/dbraw/zinc/13/60/45/494136045.db2.gz DEFCDVYYQBWXDY-CGTJXYLNSA-N 1 0 368.399 3.123 50 0 FGAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H]1CC[C@H]1[NH2+]C1CCCC1 ZINC000072154387 494136746 /nfs/dbraw/zinc/13/67/46/494136746.db2.gz IQIZNEKYCUPAJC-MOPGFXCFSA-N 1 0 370.472 3.421 50 0 FGAARO FC(F)(F)c1cccc(CC[C@H]2CCC[N@H+](CCCn3cnnn3)C2)c1 ZINC000072166225 494141149 /nfs/dbraw/zinc/14/11/49/494141149.db2.gz DMSXYRSBKWGKEO-MRXNPFEDSA-N 1 0 367.419 3.427 50 0 FGAARO O=C1Nc2ccccc2C12CC[NH+](Cc1cccc(-n3cccn3)c1)CC2 ZINC000072166747 494141660 /nfs/dbraw/zinc/14/16/60/494141660.db2.gz PVSAKVROMZPEFC-UHFFFAOYSA-N 1 0 358.445 3.358 50 0 FGAARO Cc1ccnc(N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072166964 494141869 /nfs/dbraw/zinc/14/18/69/494141869.db2.gz OQUYWLUPNRILRK-KFKAGJAMSA-N 1 0 356.420 3.130 50 0 FGAARO CCc1cccc2c(C(C)=O)cn(CC(=O)N3CCC[C@@H]([NH+](C)C)CC3)c21 ZINC000072166504 494142154 /nfs/dbraw/zinc/14/21/54/494142154.db2.gz SNHRWIAZLJDJHH-GOSISDBHSA-N 1 0 369.509 3.349 50 0 FGAARO Cc1c(Cl)cc(C(=O)N2CCC[C@H](N(C)CC[NH+](C)C)C2)cc1Cl ZINC000072167526 494142172 /nfs/dbraw/zinc/14/21/72/494142172.db2.gz HIRTVJVSDSRJGM-HNNXBMFYSA-N 1 0 372.340 3.400 50 0 FGAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCC[C@@]2(CNC(=O)O2)CC1 ZINC000072172851 494142908 /nfs/dbraw/zinc/14/29/08/494142908.db2.gz ZKWVTYAVJVNIJY-FQEVSTJZSA-N 1 0 355.438 3.423 50 0 FGAARO COc1cccc(C[N@H+]2CC=C(C(=O)NCc3ccccc3F)CC2)c1 ZINC000064817995 494152071 /nfs/dbraw/zinc/15/20/71/494152071.db2.gz GDHCKUHSCXFWSC-UHFFFAOYSA-N 1 0 354.425 3.283 50 0 FGAARO Cc1ccccc1CSCCn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072409129 494165883 /nfs/dbraw/zinc/16/58/83/494165883.db2.gz ZOJACLJUQHEUJK-UHFFFAOYSA-N 1 0 367.522 3.482 50 0 FGAARO COC[C@@H](C)Nc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072408405 494166107 /nfs/dbraw/zinc/16/61/07/494166107.db2.gz LNDLSMDJEVMZSS-CQSZACIVSA-N 1 0 360.889 3.246 50 0 FGAARO COc1ccc(C(=O)N2CCC([C@@H](C)[NH+]3CCCC3)CC2)c(F)c1F ZINC000072412053 494167196 /nfs/dbraw/zinc/16/71/96/494167196.db2.gz DFRJHGJRBQBTLB-CYBMUJFWSA-N 1 0 352.425 3.310 50 0 FGAARO CC(C)(O)CCc1ccc(C[NH+]2CCC(CN3CCCC3=O)CC2)cc1 ZINC000072423968 494170244 /nfs/dbraw/zinc/17/02/44/494170244.db2.gz DYEUWIHRKDQPAD-UHFFFAOYSA-N 1 0 358.526 3.225 50 0 FGAARO O=C(c1cncc(N[C@H]2CCC[N@H+](CC3CCCCC3)C2)n1)N1CCCC1 ZINC000072427076 494171411 /nfs/dbraw/zinc/17/14/11/494171411.db2.gz QYFRBZJHRUZDGV-SFHVURJKSA-N 1 0 371.529 3.169 50 0 FGAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)c1cnn2c1CCCC2 ZINC000072432381 494174192 /nfs/dbraw/zinc/17/41/92/494174192.db2.gz LVQIHGKWZMSNNS-UHFFFAOYSA-N 1 0 358.530 3.480 50 0 FGAARO CCCCc1nc(Cl)c(CN2CCC([C@H](C)[NH+]3CCOCC3)CC2)[nH]1 ZINC000072439503 494174486 /nfs/dbraw/zinc/17/44/86/494174486.db2.gz HQDOWUUMKINNQR-HNNXBMFYSA-N 1 0 368.953 3.338 50 0 FGAARO CC(C)(O)CCc1cccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000072436179 494175195 /nfs/dbraw/zinc/17/51/95/494175195.db2.gz GCRYQTRNMSEIDV-HXUWFJFHSA-N 1 0 358.526 3.481 50 0 FGAARO COCCC[N@H+](Cc1ccc2cccc(OC)c2n1)C1CCN(C)CC1 ZINC000072434679 494175398 /nfs/dbraw/zinc/17/53/98/494175398.db2.gz XVIKIBARIVLWKF-UHFFFAOYSA-N 1 0 357.498 3.176 50 0 FGAARO CO[C@H]1[C@H](NC(=O)c2cc(C)ccc2C)c2ccccc2C12CC[NH2+]CC2 ZINC000072469143 494178423 /nfs/dbraw/zinc/17/84/23/494178423.db2.gz RMMOZBUIKFZIRX-RTWAWAEBSA-N 1 0 364.489 3.424 50 0 FGAARO CN(C)Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc4occc4c3)C2)n1C ZINC000072480278 494182927 /nfs/dbraw/zinc/18/29/27/494182927.db2.gz WHOMCYRDOAWGGZ-QGZVFWFLSA-N 1 0 353.470 3.003 50 0 FGAARO O=C(NCC[NH+]1CCCCCC1)c1ccn2c(c1)nnc2-c1ccccc1 ZINC000065296109 494188518 /nfs/dbraw/zinc/18/85/18/494188518.db2.gz AIBRMGQOMITGMU-UHFFFAOYSA-N 1 0 363.465 3.002 50 0 FGAARO CC(C)c1noc([C@@H]2CCC[N@H+](CCC(=O)NCc3cccs3)C2)n1 ZINC000065384113 494192661 /nfs/dbraw/zinc/19/26/61/494192661.db2.gz RTYROOKOJJJHAX-CQSZACIVSA-N 1 0 362.499 3.140 50 0 FGAARO CN(C[C@@H]1CCC[NH2+]C1)C(=O)c1ccc(CSc2ccccn2)cc1 ZINC000065397912 494193137 /nfs/dbraw/zinc/19/31/37/494193137.db2.gz HQLJJIOSMDXTNV-QGZVFWFLSA-N 1 0 355.507 3.446 50 0 FGAARO Cc1cc(NC(=O)C[NH2+]C2CCN(Cc3ccccn3)CC2)ccc1Cl ZINC000065405462 494193364 /nfs/dbraw/zinc/19/33/64/494193364.db2.gz ALJMNCRNEKRPTP-UHFFFAOYSA-N 1 0 372.900 3.236 50 0 FGAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cnn(C)c3C)C2)cc1 ZINC000011838813 494193724 /nfs/dbraw/zinc/19/37/24/494193724.db2.gz WXOPLZPIBVMZNR-FQEVSTJZSA-N 1 0 370.541 3.124 50 0 FGAARO CC[C@@H](O)Cn1cc(C2=CC[N@H+](Cc3cccc4cccnc43)CC2)cn1 ZINC000065430854 494196213 /nfs/dbraw/zinc/19/62/13/494196213.db2.gz HIGYBHQOUPTBKJ-OAQYLSRUSA-N 1 0 362.477 3.492 50 0 FGAARO COc1cccc([C@H]2CCN2C(=O)C2CC[NH+](Cc3ccco3)CC2)c1 ZINC000065465037 494200775 /nfs/dbraw/zinc/20/07/75/494200775.db2.gz NXGRDCCIFVOXCH-HXUWFJFHSA-N 1 0 354.450 3.474 50 0 FGAARO Cc1cnn(CC(C)C)c1NC(=O)c1cccc(CN2CCC[C@@H]([NH3+])C2)c1 ZINC000065490162 494204959 /nfs/dbraw/zinc/20/49/59/494204959.db2.gz POSRNSOGGOVLAH-LJQANCHMSA-N 1 0 369.513 3.023 50 0 FGAARO C[C@@H](Nc1nc(CC[NH3+])nc2ccccc21)c1ccccc1-n1cccn1 ZINC000065508362 494206552 /nfs/dbraw/zinc/20/65/52/494206552.db2.gz GXPNITDCFNCFTO-OAHLLOKOSA-N 1 0 358.449 3.490 50 0 FGAARO CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 ZINC000012206699 494214096 /nfs/dbraw/zinc/21/40/96/494214096.db2.gz MHNZRGMMBNEXJN-QFIPXVFZSA-N 1 0 372.509 3.432 50 0 FGAARO O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000065594782 494217056 /nfs/dbraw/zinc/21/70/56/494217056.db2.gz MQAAWJRKTVAXJB-AWEZNQCLSA-N 1 0 362.271 3.241 50 0 FGAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)CC1 ZINC000012372724 494228224 /nfs/dbraw/zinc/22/82/24/494228224.db2.gz GTYBLIRCXDAOHN-HNNXBMFYSA-N 1 0 367.440 3.462 50 0 FGAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)C(=O)c2ccco2)C1 ZINC000012597203 494245117 /nfs/dbraw/zinc/24/51/17/494245117.db2.gz QMVTVBUBLIJHHO-SFHVURJKSA-N 1 0 368.477 3.184 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)CCCSc3ccccc3)cn2)CC1 ZINC000012613400 494247396 /nfs/dbraw/zinc/24/73/96/494247396.db2.gz IIWKVXHWZUDIQX-UHFFFAOYSA-N 1 0 370.522 3.344 50 0 FGAARO CC(C)C[NH+]1CCC([C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)CC1 ZINC000012709286 494251406 /nfs/dbraw/zinc/25/14/06/494251406.db2.gz KICQXZWEMUUAOV-SFHVURJKSA-N 1 0 362.489 3.421 50 0 FGAARO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Cl)cc1F ZINC000012901437 494269469 /nfs/dbraw/zinc/26/94/69/494269469.db2.gz GYPLHQJTOPRGDZ-UHFFFAOYSA-N 1 0 362.836 3.025 50 0 FGAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000054783914 494271054 /nfs/dbraw/zinc/27/10/54/494271054.db2.gz ZPIBEXMRNWSMIO-SFHVURJKSA-N 1 0 363.477 3.459 50 0 FGAARO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c2c(n1)onc2-c1ccccc1 ZINC000013641716 494291425 /nfs/dbraw/zinc/29/14/25/494291425.db2.gz ZXAHATSKZPFXGR-INIZCTEOSA-N 1 0 362.433 3.118 50 0 FGAARO COc1ccc(C(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCC3)cc1 ZINC000013785598 494297198 /nfs/dbraw/zinc/29/71/98/494297198.db2.gz QLJCWTMLFDBSRE-UHFFFAOYSA-N 1 0 363.437 3.289 50 0 FGAARO O=C(Nc1ccccc1OCCOc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000055100178 494301319 /nfs/dbraw/zinc/30/13/19/494301319.db2.gz IDQWJUAZVUUELM-GOSISDBHSA-N 1 0 366.461 3.473 50 0 FGAARO CC(C)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C(C)C)CC2)C1=O ZINC000014743389 494324379 /nfs/dbraw/zinc/32/43/79/494324379.db2.gz CYVILQYBOXJGDA-UHFFFAOYSA-N 1 0 371.525 3.392 50 0 FGAARO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000014980691 494331777 /nfs/dbraw/zinc/33/17/77/494331777.db2.gz KCHAZVFHXKZAJT-LJQANCHMSA-N 1 0 368.477 3.102 50 0 FGAARO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC[NH+](CCO)CC1 ZINC000015066218 494336218 /nfs/dbraw/zinc/33/62/18/494336218.db2.gz PZSNTUPMVRVORD-UHFFFAOYSA-N 1 0 365.433 3.138 50 0 FGAARO Cn1c2ccccc2nc1C[N@@H+]1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000015065445 494337009 /nfs/dbraw/zinc/33/70/09/494337009.db2.gz NEOPLJPWHBXRAY-QFIPXVFZSA-N 1 0 366.509 3.188 50 0 FGAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)C3=CCCC3)C2)CC1 ZINC000015065165 494337159 /nfs/dbraw/zinc/33/71/59/494337159.db2.gz JCYBWBKNXHITIT-FQEVSTJZSA-N 1 0 353.510 3.218 50 0 FGAARO CCc1ncc(C[NH+]2CCC(n3cc(-c4ccsc4)nn3)CC2)cn1 ZINC000019223006 494437708 /nfs/dbraw/zinc/43/77/08/494437708.db2.gz DONLXJWBJKYFCD-UHFFFAOYSA-N 1 0 354.483 3.196 50 0 FGAARO O=C(c1cn[nH]c1)N1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000019225901 494438125 /nfs/dbraw/zinc/43/81/25/494438125.db2.gz WSPIZTZIKHKSDB-KRWDZBQOSA-N 1 0 372.900 3.437 50 0 FGAARO OCC[C@H]1C[N@H+](CCCc2ccccc2)CCN1CCc1ccccc1 ZINC000019720880 494458529 /nfs/dbraw/zinc/45/85/29/494458529.db2.gz KFWBGLPRJSPBFU-QHCPKHFHSA-N 1 0 352.522 3.231 50 0 FGAARO Fc1ccc(N2CCN([C@H]3CCC[N@@H+](C4CCSCC4)C3)CC2)cc1 ZINC000019720635 494458957 /nfs/dbraw/zinc/45/89/57/494458957.db2.gz SITXTCFJYVXPCE-FQEVSTJZSA-N 1 0 363.546 3.308 50 0 FGAARO O=C1C[C@@H]([NH+]2CCCCCCC2)C(=O)N1c1ccc(Br)cc1 ZINC000019830769 494461840 /nfs/dbraw/zinc/46/18/40/494461840.db2.gz CHKHBZHCRWKAHF-OAHLLOKOSA-N 1 0 365.271 3.347 50 0 FGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1cc(OC)c(OC)c(OC)c1 ZINC000020111818 494467778 /nfs/dbraw/zinc/46/77/78/494467778.db2.gz GSCJCQICYDNKFZ-IBGZPJMESA-N 1 0 368.433 3.437 50 0 FGAARO CC(=O)c1ccc(N2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)nc1 ZINC000020540110 494475572 /nfs/dbraw/zinc/47/55/72/494475572.db2.gz YFMWKNPUJWBZFF-OAQYLSRUSA-N 1 0 364.493 3.418 50 0 FGAARO CCCOc1c(CNCCC[NH+](C)C)cc(Br)cc1OC ZINC000020968370 494485146 /nfs/dbraw/zinc/48/51/46/494485146.db2.gz SASXWPKTSPICOK-UHFFFAOYSA-N 1 0 359.308 3.288 50 0 FGAARO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000022085098 494514808 /nfs/dbraw/zinc/51/48/08/494514808.db2.gz QQVVNTAEBLLONN-SFHVURJKSA-N 1 0 373.424 3.017 50 0 FGAARO CC(=O)Nc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000022315145 494520757 /nfs/dbraw/zinc/52/07/57/494520757.db2.gz GLXPQTQDWKSATR-UHFFFAOYSA-N 1 0 357.479 3.101 50 0 FGAARO C[NH+]1CCN(C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000022467372 494524404 /nfs/dbraw/zinc/52/44/04/494524404.db2.gz BQEJTOYWTWAQFQ-IBGZPJMESA-N 1 0 362.558 3.388 50 0 FGAARO CCCc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022765553 494533037 /nfs/dbraw/zinc/53/30/37/494533037.db2.gz COUPJWZHTFLGOE-FQEVSTJZSA-N 1 0 371.550 3.419 50 0 FGAARO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cc(C)c(O)c(C)c2)cc1 ZINC000022787555 494535253 /nfs/dbraw/zinc/53/52/53/494535253.db2.gz AOSWIJWFBFHYCY-NRFANRHFSA-N 1 0 354.494 3.481 50 0 FGAARO Cc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1Cl ZINC000022912384 494541662 /nfs/dbraw/zinc/54/16/62/494541662.db2.gz KXYDPURNSYSYIC-KRWDZBQOSA-N 1 0 352.910 3.042 50 0 FGAARO O=c1cc(CC2CCCC2)nc(-c2cccc(C[N@@H+]3CCCOCC3)c2)[nH]1 ZINC000023153658 494553027 /nfs/dbraw/zinc/55/30/27/494553027.db2.gz KZFLUMUMWOXPGL-UHFFFAOYSA-N 1 0 367.493 3.392 50 0 FGAARO OCC[C@H]1CN(Cc2cccc(F)c2F)CC[N@@H+]1CC1CCCCC1 ZINC000023145226 494553359 /nfs/dbraw/zinc/55/33/59/494553359.db2.gz JAHKSTJLHJGSMT-SFHVURJKSA-N 1 0 352.469 3.414 50 0 FGAARO CCn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c(C)n1 ZINC000091270223 494577290 /nfs/dbraw/zinc/57/72/90/494577290.db2.gz PTKREPQYMVRBMS-PKOBYXMFSA-N 1 0 370.472 3.087 50 0 FGAARO Cc1ccc(-c2nc(CC3CC[NH+](C)CC3)nn2CCc2c[nH]cn2)s1 ZINC000091325748 494582958 /nfs/dbraw/zinc/58/29/58/494582958.db2.gz BGTIZZMVIFGSDS-UHFFFAOYSA-N 1 0 370.526 3.165 50 0 FGAARO CC[N@H+](C)C[C@@H]1CN(C(=O)c2cccc(-c3ccccc3F)c2)C[C@@H]1CO ZINC000091440131 494598810 /nfs/dbraw/zinc/59/88/10/494598810.db2.gz GTOGHAKQUARBIF-RTBURBONSA-N 1 0 370.468 3.125 50 0 FGAARO CCn1cc(C2=CC[N@H+](CCC(=O)Nc3ccccc3OC)CC2)cn1 ZINC000067673455 494605245 /nfs/dbraw/zinc/60/52/45/494605245.db2.gz BDTUIQLTGRZENP-UHFFFAOYSA-N 1 0 354.454 3.030 50 0 FGAARO CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000056983747 494609878 /nfs/dbraw/zinc/60/98/78/494609878.db2.gz XGMUEAOSDSPDOT-LBPRGKRZSA-N 1 0 367.280 3.251 50 0 FGAARO CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000056983746 494610412 /nfs/dbraw/zinc/61/04/12/494610412.db2.gz XGMUEAOSDSPDOT-GFCCVEGCSA-N 1 0 367.280 3.251 50 0 FGAARO C/C(=C\c1ccco1)C[N@@H+]1CC[C@]2(C1)CCCN(C1CCOCC1)C2=O ZINC000091636593 494634619 /nfs/dbraw/zinc/63/46/19/494634619.db2.gz NBBISZNRNILRTP-UEBLJOKOSA-N 1 0 358.482 3.176 50 0 FGAARO Cc1n[nH]c(C)c1C[NH+]1CCC(O)(c2ccc3nc(C)ccc3c2)CC1 ZINC000067772798 494643444 /nfs/dbraw/zinc/64/34/44/494643444.db2.gz KSEJVDAULLDTKF-UHFFFAOYSA-N 1 0 350.466 3.367 50 0 FGAARO CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1C[NH+](C)C ZINC000024812454 494667088 /nfs/dbraw/zinc/66/70/88/494667088.db2.gz RSXCQEVWJBPKBN-NRFANRHFSA-N 1 0 367.493 3.070 50 0 FGAARO CN(CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000091793282 494682378 /nfs/dbraw/zinc/68/23/78/494682378.db2.gz YFNRMHILCMAFBN-IFMALSPDSA-N 1 0 363.505 3.246 50 0 FGAARO O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000067921318 494694081 /nfs/dbraw/zinc/69/40/81/494694081.db2.gz MBYHCHFEHKNDCE-GFCCVEGCSA-N 1 0 365.355 3.118 50 0 FGAARO CC(=O)Nc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000025063783 494695252 /nfs/dbraw/zinc/69/52/52/494695252.db2.gz JSNWZKPFBYZVIR-SFHVURJKSA-N 1 0 371.506 3.202 50 0 FGAARO COc1cc2c(cc1C[N@@H+]1CC[C@@](O)(C3CCOCC3)[C@H](C)C1)CCC2 ZINC000091845506 494702121 /nfs/dbraw/zinc/70/21/21/494702121.db2.gz ABRDRAHJGIQKAK-ZHRRBRCNSA-N 1 0 359.510 3.183 50 0 FGAARO O=C1CCC2(CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)CN1CCO ZINC000091845654 494703142 /nfs/dbraw/zinc/70/31/42/494703142.db2.gz WSHHFMQDVYUZGM-UHFFFAOYSA-N 1 0 371.308 3.190 50 0 FGAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)CCC[NH+](C)C)CCO3)s1 ZINC000067946157 494705295 /nfs/dbraw/zinc/70/52/95/494705295.db2.gz HBDRNXXBHRERND-UHFFFAOYSA-N 1 0 374.506 3.492 50 0 FGAARO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000057327670 494713610 /nfs/dbraw/zinc/71/36/10/494713610.db2.gz GBMOHLNCDUCILC-LLVKDONJSA-N 1 0 350.365 3.271 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccsc1 ZINC000025328832 494722858 /nfs/dbraw/zinc/72/28/58/494722858.db2.gz QAJCREOVIWJETR-RBUKOAKNSA-N 1 0 374.506 3.339 50 0 FGAARO COc1ccccc1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027604616 494876610 /nfs/dbraw/zinc/87/66/10/494876610.db2.gz TYJSRXOOPBMNLL-HNNXBMFYSA-N 1 0 360.479 3.089 50 0 FGAARO CCCOc1ccc(C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1 ZINC000027749368 494884005 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Cc1c(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cnn1C ZINC000170611903 495535179 /nfs/dbraw/zinc/53/51/79/495535179.db2.gz LFRQRYYCRWBBSU-UHFFFAOYSA-N 1 0 362.518 3.342 50 0 FGAARO CC(C)[NH+]1CCC(NC(=O)c2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000170622614 495537188 /nfs/dbraw/zinc/53/71/88/495537188.db2.gz RBRLYTIABHBLBY-UHFFFAOYSA-N 1 0 360.889 3.187 50 0 FGAARO Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)ccn1 ZINC000179816245 495746875 /nfs/dbraw/zinc/74/68/75/495746875.db2.gz QVLMXTUOYGMXDJ-PMACEKPBSA-N 1 0 373.545 3.191 50 0 FGAARO CC(C)n1c(CCNC(=O)C2CC[NH+](C(C)C)CC2)nc2ccccc21 ZINC000175011434 496206527 /nfs/dbraw/zinc/20/65/27/496206527.db2.gz XKPDRHXYRWKASC-UHFFFAOYSA-N 1 0 356.514 3.396 50 0 FGAARO Clc1cc2ncc(N3CC[NH+](C[C@@H]4CCOC4)CC3)nc2cc1Cl ZINC000181730655 496520960 /nfs/dbraw/zinc/52/09/60/496520960.db2.gz JQMVFMTUZLKYBY-LBPRGKRZSA-N 1 0 367.280 3.095 50 0 FGAARO CC1(C(=O)Nc2ccc3c(c2)CC(=O)N3)CC[NH+](Cc2ccccc2)CC1 ZINC000157913467 496583385 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CN(C)c1ccc(C[N@@H+]2CCCN(c3nc4ccccc4s3)CC2)cn1 ZINC000215849722 496984441 /nfs/dbraw/zinc/98/44/41/496984441.db2.gz VTLFECNTNGFORE-UHFFFAOYSA-N 1 0 367.522 3.470 50 0 FGAARO Nc1nc(NCC2(c3ccccc3F)CCCC2)cc(C2CC(O)C2)[nH+]1 ZINC000219330304 497008670 /nfs/dbraw/zinc/00/86/70/497008670.db2.gz GEODACNCFCGLHJ-UHFFFAOYSA-N 1 0 356.445 3.360 50 0 FGAARO Cc1cc(C(F)(F)F)nc(CCNC(=O)CC[NH+]2CCCCCCC2)n1 ZINC000223350652 497036559 /nfs/dbraw/zinc/03/65/59/497036559.db2.gz ONEBQKFEAOICJE-UHFFFAOYSA-N 1 0 372.435 3.119 50 0 FGAARO Cn1c(COc2cccc(Oc3ccccc3)c2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223651954 497041195 /nfs/dbraw/zinc/04/11/95/497041195.db2.gz LAKOIZHMNGQVSZ-SHTZXODSSA-N 1 0 350.422 3.391 50 0 FGAARO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000229423429 497097985 /nfs/dbraw/zinc/09/79/85/497097985.db2.gz AQYQZHBLNIEDIH-MSOLQXFVSA-N 1 0 360.498 3.260 50 0 FGAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230205424 497103957 /nfs/dbraw/zinc/10/39/57/497103957.db2.gz RKEGIDYWABTJLP-APWZRJJASA-N 1 0 370.472 3.221 50 0 FGAARO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CC[C@@H]([NH3+])C3)cc12 ZINC000237642358 497267174 /nfs/dbraw/zinc/26/71/74/497267174.db2.gz GPQITQVOWUDRPG-GFCCVEGCSA-N 1 0 360.870 3.222 50 0 FGAARO [NH3+][C@H]1C[C@H](c2nnc(CN3CCC(c4ccccc4)CC3)n2C2CC2)C1 ZINC000240825209 497352616 /nfs/dbraw/zinc/35/26/16/497352616.db2.gz QOAZXVOYXWEEKM-IYARVYRRSA-N 1 0 351.498 3.197 50 0 FGAARO COCC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)C1CCSCC1 ZINC000242263406 497353636 /nfs/dbraw/zinc/35/36/36/497353636.db2.gz XYXWEKUVMZNUJG-UHFFFAOYSA-N 1 0 351.447 3.220 50 0 FGAARO CC[NH+](CC)CCc1ccc(NC(=O)NCCc2ccc(CO)cc2)cc1 ZINC000241869051 497353926 /nfs/dbraw/zinc/35/39/26/497353926.db2.gz STZPXOGGDZHXGF-UHFFFAOYSA-N 1 0 369.509 3.427 50 0 FGAARO Cc1cc(-n2c(C)cc(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)c2C)no1 ZINC000261644221 497426194 /nfs/dbraw/zinc/42/61/94/497426194.db2.gz CLBKOUZDYVJVGH-UHFFFAOYSA-N 1 0 368.412 3.428 50 0 FGAARO [NH3+][C@H](C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)C1CCOCC1 ZINC000261967662 497485296 /nfs/dbraw/zinc/48/52/96/497485296.db2.gz LJDCHABTSDKLBB-KRWDZBQOSA-N 1 0 361.829 3.220 50 0 FGAARO CCC(=O)NCc1cc2n(n1)CCN(Cc1cccc3c(C)c(C)[nH]c31)C2 ZINC000299758701 497913275 /nfs/dbraw/zinc/91/32/75/497913275.db2.gz OOKMIHVXODXTKO-UHFFFAOYSA-N 1 0 365.481 3.023 50 0 FGAARO Cc1[nH]nc(C2CC2)c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000299760722 497915616 /nfs/dbraw/zinc/91/56/16/497915616.db2.gz JMYQVMQANHVVDI-INIZCTEOSA-N 1 0 352.482 3.156 50 0 FGAARO COc1cccc2c1OCCC[N@H+](C[C@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299775972 497920110 /nfs/dbraw/zinc/92/01/10/497920110.db2.gz MCTWBQPWBRUCOA-QGZVFWFLSA-N 1 0 366.461 3.333 50 0 FGAARO CCc1noc(-c2ccccc2NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)n1 ZINC000299777408 497920751 /nfs/dbraw/zinc/92/07/51/497920751.db2.gz LFELEJDANBIARK-AWEZNQCLSA-N 1 0 355.442 3.001 50 0 FGAARO CO[C@]12CC[N@H+](Cc3cc4cc(C)cc(C)c4[nH]c3=O)[C@H]1C[C@@H](O)CC2 ZINC000299775449 497920944 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3.230 50 0 FGAARO CC[N@H+](C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)CC(C)(C)CO ZINC000015070438 211118799 /nfs/dbraw/zinc/11/87/99/211118799.db2.gz ZQAYUMUHKVNNDT-FQEVSTJZSA-N 1 0 362.558 3.290 50 0 FGAARO CC(C)C1CC[NH+](C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000015068863 211117975 /nfs/dbraw/zinc/11/79/75/211117975.db2.gz TUDWFWQLTRINHT-OAQYLSRUSA-N 1 0 362.489 3.047 50 0 FGAARO Cc1ncc(C[NH2+][C@@H](C)c2cnc(N3CCCCCCC3)nc2C)n1C ZINC000015061578 211117266 /nfs/dbraw/zinc/11/72/66/211117266.db2.gz NAIYPFAXFGQITQ-HNNXBMFYSA-N 1 0 356.518 3.448 50 0 FGAARO CCn1ccnc1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000015062654 211116727 /nfs/dbraw/zinc/11/67/27/211116727.db2.gz XIBHODFPVKBRQT-JOCHJYFZSA-N 1 0 366.509 3.226 50 0 FGAARO CC[NH2+][C@@H]1CCc2c(sc3ncn(CCc4cccc(F)c4)c(=O)c23)C1 ZINC000014985586 211111538 /nfs/dbraw/zinc/11/15/38/211111538.db2.gz CZYHMCHZUOJTOF-OAHLLOKOSA-N 1 0 371.481 3.307 50 0 FGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cn[nH]c1 ZINC000014955528 211107171 /nfs/dbraw/zinc/10/71/71/211107171.db2.gz MDYAOVCGCUZVKL-INIZCTEOSA-N 1 0 360.889 3.090 50 0 FGAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(NCc2ccccc2)nc1 ZINC000014961097 211106541 /nfs/dbraw/zinc/10/65/41/211106541.db2.gz MTGRSBGBLWZMDV-IBGZPJMESA-N 1 0 352.482 3.298 50 0 FGAARO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@H]([NH+]1CCCCCC1)C2 ZINC000014744163 211101006 /nfs/dbraw/zinc/10/10/06/211101006.db2.gz HLBIISUCORJADQ-HNNXBMFYSA-N 1 0 372.538 3.145 50 0 FGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000014231562 211087804 /nfs/dbraw/zinc/08/78/04/211087804.db2.gz SWJZXVKVZUDTFX-QAPCUYQASA-N 1 0 360.841 3.190 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1 ZINC000014061977 211069386 /nfs/dbraw/zinc/06/93/86/211069386.db2.gz GOCFUBOFOJBWDV-HNNXBMFYSA-N 1 0 357.479 3.129 50 0 FGAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ccc3c(c2)OCCCO3)C(C)C)no1 ZINC000012995973 211017837 /nfs/dbraw/zinc/01/78/37/211017837.db2.gz FNLCWRZVQIYHOW-IBGZPJMESA-N 1 0 359.426 3.070 50 0 FGAARO COc1ccc([C@H](CNC(=O)Nc2cc(C)on2)[NH+]2CCCCC2)cc1 ZINC000012949684 211011679 /nfs/dbraw/zinc/01/16/79/211011679.db2.gz ZWPGYEFLWSKKEV-KRWDZBQOSA-N 1 0 358.442 3.340 50 0 FGAARO O=S(=O)(/C=C/c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012876250 211001956 /nfs/dbraw/zinc/00/19/56/211001956.db2.gz VRUBSJKOOBYROC-DTQAZKPQSA-N 1 0 356.491 3.241 50 0 FGAARO C[NH+](C)CC[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CCO1 ZINC000012075011 210912180 /nfs/dbraw/zinc/91/21/80/210912180.db2.gz CEPBYHFUIKCQDG-GFCCVEGCSA-N 1 0 364.795 3.152 50 0 FGAARO CC(=O)c1cccc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000010026754 210860376 /nfs/dbraw/zinc/86/03/76/210860376.db2.gz ZTBPSFMDZYEBJE-UHFFFAOYSA-N 1 0 366.461 3.180 50 0 FGAARO CC[N@H+](CCCNC(=O)Cn1cc2c(n1)CC[C@@H](C)C2)Cc1ccccc1 ZINC000005148589 210604198 /nfs/dbraw/zinc/60/41/98/210604198.db2.gz CFDZXDZMADGYMJ-GOSISDBHSA-N 1 0 368.525 3.036 50 0 FGAARO COc1cc(C[NH2+]C2CCCC2)cc(Br)c1O[C@H](C)CO ZINC000004851403 210571550 /nfs/dbraw/zinc/57/15/50/210571550.db2.gz AACOIRBMCQFTND-LLVKDONJSA-N 1 0 358.276 3.250 50 0 FGAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CC[N@@H+]1CCC[C@H](C)C1 ZINC000002290115 210388492 /nfs/dbraw/zinc/38/84/92/210388492.db2.gz BPHWDJQEIDIICO-AWEZNQCLSA-N 1 0 357.454 3.323 50 0 FGAARO CCOc1ccc2[nH]c3c(ncn(CC[NH+](C(C)C)C(C)C)c3=O)c2c1 ZINC000002348454 210393969 /nfs/dbraw/zinc/39/39/69/210393969.db2.gz XBRAEVCFRJMZBU-UHFFFAOYSA-N 1 0 356.470 3.395 50 0 FGAARO Cc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)[NH+](C)C)cc1 ZINC000010328887 210355960 /nfs/dbraw/zinc/35/59/60/210355960.db2.gz LDOZXROBRVKYGS-CYBMUJFWSA-N 1 0 351.244 3.383 50 0 FGAARO O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1)c1ccc(Cl)cc1 ZINC000000921762 210290458 /nfs/dbraw/zinc/29/04/58/210290458.db2.gz HEUQRPLODPGAAR-DLBZAZTESA-N 1 0 368.886 3.312 50 0 FGAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(OC)c1 ZINC000000778794 210269057 /nfs/dbraw/zinc/26/90/57/210269057.db2.gz ITHOBKUMXUZHHM-INIZCTEOSA-N 1 0 360.498 3.174 50 0 FGAARO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000021918087 220371540 /nfs/dbraw/zinc/37/15/40/220371540.db2.gz XMZZPWYKMKAYEJ-OAHLLOKOSA-N 1 0 354.450 3.479 50 0 FGAARO CC[NH+]1CCN(CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1 ZINC000022800534 220399397 /nfs/dbraw/zinc/39/93/97/220399397.db2.gz IEWSFPJSQSFFNX-UHFFFAOYSA-N 1 0 353.466 3.363 50 0 FGAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 ZINC000057383471 221087947 /nfs/dbraw/zinc/08/79/47/221087947.db2.gz JNQKLSIINFTHAM-GOSISDBHSA-N 1 0 359.857 3.364 50 0 FGAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)Nc2cccc(Cl)c2)[nH+]1 ZINC000065362805 221202792 /nfs/dbraw/zinc/20/27/92/221202792.db2.gz IFGXZDSESYCADV-UHFFFAOYSA-N 1 0 374.876 3.272 50 0 FGAARO O=C(CC[NH+]1CCC([C@@H](O)c2cccs2)CC1)NCc1cccs1 ZINC000065396549 221211326 /nfs/dbraw/zinc/21/13/26/221211326.db2.gz DEDIKTSCRXOJDN-GOSISDBHSA-N 1 0 364.536 3.262 50 0 FGAARO CC[NH+]1CCC(N2CCN(c3ccc4cccc(Cl)c4n3)CC2)CC1 ZINC000065489638 221224451 /nfs/dbraw/zinc/22/44/51/221224451.db2.gz SYJOUAXGTXTNBJ-UHFFFAOYSA-N 1 0 358.917 3.495 50 0 FGAARO O=C(COc1ccc(F)cc1)Nc1ccc(C[NH+]2CCSCC2)cc1 ZINC000065551911 221232342 /nfs/dbraw/zinc/23/23/42/221232342.db2.gz OCJSMTDTGIQFFA-UHFFFAOYSA-N 1 0 360.454 3.392 50 0 FGAARO O=C(c1ccccc1NCc1ccccn1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000067515222 221258551 /nfs/dbraw/zinc/25/85/51/221258551.db2.gz VPMAYXQANCDVGQ-SFHVURJKSA-N 1 0 350.466 3.004 50 0 FGAARO COc1ccc2cc(C[NH+]3CCC(O)(c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000067688470 221270114 /nfs/dbraw/zinc/27/01/14/221270114.db2.gz ABONNEOPXJYGJW-UHFFFAOYSA-N 1 0 364.445 3.020 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3cccc4ncccc43)cnn2c1 ZINC000067691320 221271811 /nfs/dbraw/zinc/27/18/11/221271811.db2.gz DILREVVIBOZJTJ-UHFFFAOYSA-N 1 0 374.448 3.372 50 0 FGAARO O=C(CC1=CC[NH2+]CC1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000067689356 221272441 /nfs/dbraw/zinc/27/24/41/221272441.db2.gz CEGVIKBTVWQBOQ-UHFFFAOYSA-N 1 0 364.493 3.016 50 0 FGAARO O[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067739959 221279396 /nfs/dbraw/zinc/27/93/96/221279396.db2.gz RXCUBVLUORUCMK-PKOBYXMFSA-N 1 0 350.418 3.247 50 0 FGAARO [NH3+]C[C@H]1Cc2cc(Cl)cc(-c3ccc(N4CCCCCC4)nn3)c2O1 ZINC000067757098 221281973 /nfs/dbraw/zinc/28/19/73/221281973.db2.gz ICPANHZKDZUIPQ-OAHLLOKOSA-N 1 0 358.873 3.440 50 0 FGAARO CC(C)(C)c1ncc2c(n1)CN(C(=O)c1ccc(C[NH+]3CCCC3)o1)C2 ZINC000067784768 221283924 /nfs/dbraw/zinc/28/39/24/221283924.db2.gz NSSMYPREKBNEAF-UHFFFAOYSA-N 1 0 354.454 3.119 50 0 FGAARO Cc1nn(C[C@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)c(C)c1Cl ZINC000067804170 221287356 /nfs/dbraw/zinc/28/73/56/221287356.db2.gz ROSGGFQAIXEKNG-LBPRGKRZSA-N 1 0 364.877 3.029 50 0 FGAARO COc1ccc(CN(C)c2cc([C@@H]3CCC[NH2+]C3)ncn2)c2cccnc12 ZINC000067841874 221292251 /nfs/dbraw/zinc/29/22/51/221292251.db2.gz LTRZYSNJKCCNJI-OAHLLOKOSA-N 1 0 363.465 3.137 50 0 FGAARO Cc1nc(-c2c(-c3ccccc3)ncn2CC[N@@H+]2CCCC[C@H]2CO)c[nH]1 ZINC000067850672 221295666 /nfs/dbraw/zinc/29/56/66/221295666.db2.gz IIGIVEWEIKAUNS-SFHVURJKSA-N 1 0 365.481 3.095 50 0 FGAARO C[C@H]([NH3+])C(=O)N1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067895623 221302118 /nfs/dbraw/zinc/30/21/18/221302118.db2.gz WPLXTGOKZQSVID-LBPRGKRZSA-N 1 0 368.458 3.342 50 0 FGAARO CCNc1nc(C)c(C(=O)N2CCC3(CC2)CCC[N@H+](C)CC3)s1 ZINC000067921186 221305477 /nfs/dbraw/zinc/30/54/77/221305477.db2.gz DEWYUPZBDGRVAS-UHFFFAOYSA-N 1 0 350.532 3.221 50 0 FGAARO CN1CCC[N@H+](C[C@H]2CC[C@@H](Cc3ccc4cc(O)ccc4c3)O2)CC1 ZINC000067954777 221307979 /nfs/dbraw/zinc/30/79/79/221307979.db2.gz VPYXUVBUNIJWFA-FCHUYYIVSA-N 1 0 354.494 3.273 50 0 FGAARO CCC[C@H](Nc1nc(-c2ccccc2)nc2c1CC[NH2+]C2)c1nccn1C ZINC000067967477 221310145 /nfs/dbraw/zinc/31/01/45/221310145.db2.gz QYQJFPLFRDGTTO-KRWDZBQOSA-N 1 0 362.481 3.476 50 0 FGAARO O=C(N1CCC[C@@](CO)(Cc2ccccc2)C1)C1([NH+]2CCCC2)CCCC1 ZINC000067966522 221310177 /nfs/dbraw/zinc/31/01/77/221310177.db2.gz IXTQVNFXQBQSOA-JOCHJYFZSA-N 1 0 370.537 3.239 50 0 FGAARO Fc1ccc(C[C@H]2CN(Cc3cccn3-c3cc[nH+]cc3)CCO2)cc1 ZINC000071479425 221350941 /nfs/dbraw/zinc/35/09/41/221350941.db2.gz FMTPJUGHPUPOIX-NRFANRHFSA-N 1 0 351.425 3.455 50 0 FGAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccsc3)CC2)C1)N1CCCC1 ZINC000071747207 221359862 /nfs/dbraw/zinc/35/98/62/221359862.db2.gz LNWJKOXJSOGKMN-SFHVURJKSA-N 1 0 361.555 3.047 50 0 FGAARO Cc1cc(C)c(C[NH+]2CCC(N3CCCC3=O)CC2)c(-n2cccn2)c1 ZINC000071750041 221360857 /nfs/dbraw/zinc/36/08/57/221360857.db2.gz XBUGGKULSKCXLR-UHFFFAOYSA-N 1 0 352.482 3.076 50 0 FGAARO Cc1n[nH]c(C)c1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071749501 221361166 /nfs/dbraw/zinc/36/11/66/221361166.db2.gz KAVQDPLSBOQMTQ-FQEVSTJZSA-N 1 0 372.488 3.425 50 0 FGAARO CCn1ccnc1CN1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071753329 221364184 /nfs/dbraw/zinc/36/41/84/221364184.db2.gz GVSOURGISCIBCR-MAODMQOUSA-N 1 0 372.463 3.243 50 0 FGAARO Cc1nc(-n2cnnc2)ccc1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000071761959 221370016 /nfs/dbraw/zinc/37/00/16/221370016.db2.gz QIFZTLLMZICORE-GOSISDBHSA-N 1 0 363.465 3.418 50 0 FGAARO Nc1nc(NC2CC2)cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)n1 ZINC000071771044 221374220 /nfs/dbraw/zinc/37/42/20/221374220.db2.gz AUTFFDAXNWSVDG-HNNXBMFYSA-N 1 0 353.470 3.080 50 0 FGAARO CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)C[NH3+] ZINC000091713265 132203323 /nfs/dbraw/zinc/20/33/23/132203323.db2.gz NVMVZMFZZLUULP-HXUWFJFHSA-N 1 0 365.477 3.046 50 0 FGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000095365699 132208206 /nfs/dbraw/zinc/20/82/06/132208206.db2.gz SNAQMIBZXPWJFM-AWEZNQCLSA-N 1 0 365.884 3.406 50 0 FGAARO Cc1ccc(-c2ccnc(N3CCC([NH2+][C@@H]4CCSC4)CC3)n2)c(C)n1 ZINC000095530826 132214997 /nfs/dbraw/zinc/21/49/97/132214997.db2.gz HMWLLWLMCRNLIY-QGZVFWFLSA-N 1 0 369.538 3.219 50 0 FGAARO CCC1=NO[C@@H](C[NH2+]C2CCN(c3nc(C)nc4sccc43)CC2)C1 ZINC000096149807 132220750 /nfs/dbraw/zinc/22/07/50/132220750.db2.gz DYBMVWBZFPTLTG-OAHLLOKOSA-N 1 0 359.499 3.113 50 0 FGAARO Cc1ccc(Nc2nc(NC3CCCCC3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000096319443 132225048 /nfs/dbraw/zinc/22/50/48/132225048.db2.gz MRAQUZCCCBKCTN-UHFFFAOYSA-N 1 0 367.501 3.078 50 0 FGAARO Fc1cc(NC2CC[NH+](Cc3cccnc3)CC2)cc(N2CCOCC2)c1 ZINC000097045931 132227311 /nfs/dbraw/zinc/22/73/11/132227311.db2.gz XEUXVKZBUVSZSB-UHFFFAOYSA-N 1 0 370.472 3.134 50 0 FGAARO CCOc1ccc(CC(=O)NCC2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC000245170830 132376626 /nfs/dbraw/zinc/37/66/26/132376626.db2.gz XIFGJPUCEWLKDX-UHFFFAOYSA-N 1 0 367.493 3.364 50 0 FGAARO Cc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000000803273 132378572 /nfs/dbraw/zinc/37/85/72/132378572.db2.gz CAUJSHAIPCCJNX-UHFFFAOYSA-N 1 0 353.466 3.073 50 0 FGAARO O=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc(F)c(F)c1 ZINC000000895117 132379085 /nfs/dbraw/zinc/37/90/85/132379085.db2.gz QBQINMNZCSQAIC-UHFFFAOYSA-N 1 0 363.383 3.255 50 0 FGAARO O=C(c1cccs1)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000001152267 132380577 /nfs/dbraw/zinc/38/05/77/132380577.db2.gz LAOMZLZBSKUJDY-UHFFFAOYSA-N 1 0 355.507 3.175 50 0 FGAARO O[C@H](C[NH+]1CCN(c2ccccc2F)CC1)c1c[nH]c2ccc(F)cc21 ZINC000021793144 132902156 /nfs/dbraw/zinc/90/21/56/132902156.db2.gz FBWWIKUJQFYPSR-HXUWFJFHSA-N 1 0 357.404 3.302 50 0 FGAARO Cc1ccc(-c2nc(N3CC[NH+](C(C)C)CC3)ncc2-c2cncnc2)cc1 ZINC000065489347 136136580 /nfs/dbraw/zinc/13/65/80/136136580.db2.gz LZLNKNGDXKLDDN-UHFFFAOYSA-N 1 0 374.492 3.439 50 0 FGAARO OCC[C@@H]1CN(c2ncccc2C(F)(F)F)CC[N@@H+]1Cc1cccs1 ZINC000072428204 136146650 /nfs/dbraw/zinc/14/66/50/136146650.db2.gz OJAFMRWSHTVWBX-CYBMUJFWSA-N 1 0 371.428 3.235 50 0 FGAARO O=C1CCC2(CC[NH+](CC[C@@H]3CCOC3)CC2)CN1Cc1ccccc1 ZINC000091635543 221776864 /nfs/dbraw/zinc/77/68/64/221776864.db2.gz CBJUMVHZGBKFHO-HXUWFJFHSA-N 1 0 356.510 3.318 50 0 FGAARO COc1ccccc1-c1ncc(CN2CC3(CC[NH2+]CC3)CCC2=O)s1 ZINC000091876516 221809121 /nfs/dbraw/zinc/80/91/21/221809121.db2.gz FJXPBNILTKJKIB-UHFFFAOYSA-N 1 0 371.506 3.311 50 0 FGAARO COCCc1nc([C@@]2(C)CCC[NH2+]C2)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC000096136357 222039542 /nfs/dbraw/zinc/03/95/42/222039542.db2.gz IJCJUIBDKYDEGV-KRWDZBQOSA-N 1 0 368.403 3.116 50 0 FGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(c1nnc(C(C)C)s1)CC2 ZINC000096136099 222039711 /nfs/dbraw/zinc/03/97/11/222039711.db2.gz PXMHHXUIMSVERT-UHFFFAOYSA-N 1 0 360.531 3.148 50 0 FGAARO C[N@H+](CC(=O)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1)C1CCCC1 ZINC000096136423 222039725 /nfs/dbraw/zinc/03/97/25/222039725.db2.gz VHLDOOYWYMBRCS-UHFFFAOYSA-N 1 0 374.435 3.114 50 0 FGAARO CC(C)(CNC(=O)[C@H]1COc2ccccc2C1)[N@@H+]1CCc2ccccc2C1 ZINC000096138298 222042303 /nfs/dbraw/zinc/04/23/03/222042303.db2.gz RBVMTLOALOIARH-HXUWFJFHSA-N 1 0 364.489 3.191 50 0 FGAARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1ccc(CO)cc1)CC2 ZINC000096151800 222052665 /nfs/dbraw/zinc/05/26/65/222052665.db2.gz RCCKCOXUMVKDBQ-OAQYLSRUSA-N 1 0 364.489 3.273 50 0 FGAARO CCc1nc(CCNC(=O)Nc2cccc(C[N@@H+]3CCCC[C@H]3C)c2)no1 ZINC000096160387 222059686 /nfs/dbraw/zinc/05/96/86/222059686.db2.gz BRGZHYCYDHKWME-OAHLLOKOSA-N 1 0 371.485 3.371 50 0 FGAARO OCc1cc(-c2ccccc2OC[C@H](O)C[NH+]2CCCCC2)ccc1F ZINC000096165315 222064542 /nfs/dbraw/zinc/06/45/42/222064542.db2.gz GCRPGIBDKFCBSD-GOSISDBHSA-N 1 0 359.441 3.211 50 0 FGAARO O=C(Nc1ccc(-c2cccc(F)c2)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000097505986 222186701 /nfs/dbraw/zinc/18/67/01/222186701.db2.gz CZGLEUGFLGNLCP-FQEVSTJZSA-N 1 0 368.456 3.004 50 0 FGAARO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+](C)[C@@H](C)Cc2ccccn2)no1 ZINC000097527255 222188166 /nfs/dbraw/zinc/18/81/66/222188166.db2.gz ISUPZTGIQMRTEM-LBPRGKRZSA-N 1 0 359.861 3.495 50 0 FGAARO CN(C(=O)c1cnc(CN2CCCC2)s1)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097694849 222206055 /nfs/dbraw/zinc/20/60/55/222206055.db2.gz ZZQSIEMHUXCAGZ-KRWDZBQOSA-N 1 0 372.538 3.114 50 0 FGAARO Cc1ccccc1-n1cc(CN2CC[NH+](C3Cc4ccccc4C3)CC2)cn1 ZINC000097732815 222208689 /nfs/dbraw/zinc/20/86/89/222208689.db2.gz UPJFATGTYBFYRU-UHFFFAOYSA-N 1 0 372.516 3.466 50 0 FGAARO Cc1ccccc1COc1ccccc1C[N@@H+]1CCC[C@](O)(CO)CC1 ZINC000097784833 222213232 /nfs/dbraw/zinc/21/32/32/222213232.db2.gz VYMMNPDOQCJUEX-JOCHJYFZSA-N 1 0 355.478 3.283 50 0 FGAARO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 ZINC000100018887 222231030 /nfs/dbraw/zinc/23/10/30/222231030.db2.gz XXVZGWNHSCGMCT-PMOLBWCYSA-N 1 0 351.446 3.091 50 0 FGAARO Cc1c(Cl)cccc1N1C(=O)C[C@@H](Nc2ccc(N(C)C)cc2)C1=O ZINC000101129397 222262893 /nfs/dbraw/zinc/26/28/93/222262893.db2.gz USXCNZYTWWJQMA-MRXNPFEDSA-N 1 0 357.841 3.458 50 0 FGAARO COc1ccc(-c2nc(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c(C)o2)c(OC)c1C ZINC000101935315 222286570 /nfs/dbraw/zinc/28/65/70/222286570.db2.gz FUKSKPJBPVNUCB-ZSHCYNCHSA-N 1 0 372.465 3.463 50 0 FGAARO CC(C)N(C(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C)C(C)C ZINC000106180153 222383242 /nfs/dbraw/zinc/38/32/42/222383242.db2.gz QJNRCLHULPRNRO-IRXDYDNUSA-N 1 0 369.550 3.400 50 0 FGAARO C[C@@H]1C[N@H+](C)CC[C@H]1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000106531241 222385804 /nfs/dbraw/zinc/38/58/04/222385804.db2.gz CNDWBLUJONREFU-DNVCBOLYSA-N 1 0 350.528 3.353 50 0 FGAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000107071449 222391140 /nfs/dbraw/zinc/39/11/40/222391140.db2.gz CYIVDQIFBCZBCZ-JXFKEZNVSA-N 1 0 367.534 3.014 50 0 FGAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000002217107 263144695 /nfs/dbraw/zinc/14/46/95/263144695.db2.gz WYBGZMDVIQTODN-QWHCGFSZSA-N 1 0 373.453 3.022 50 0 FGAARO CN(Cc1ccccc1C[NH+](C)C)C(=O)c1cccc(-c2nccn2C)c1 ZINC000426386990 263571510 /nfs/dbraw/zinc/57/15/10/263571510.db2.gz AXSLOBPAAKOIOL-UHFFFAOYSA-N 1 0 362.477 3.421 50 0 FGAARO COc1cc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)ccc1F ZINC000426634079 263648110 /nfs/dbraw/zinc/64/81/10/263648110.db2.gz BNQVEEZSLPWKKO-GOSISDBHSA-N 1 0 368.452 3.473 50 0 FGAARO COc1ccccc1OCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027992436 493772015 /nfs/dbraw/zinc/77/20/15/493772015.db2.gz PINKDIBDMJBLIL-LJQANCHMSA-N 1 0 368.477 3.336 50 0 FGAARO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(I)cc1 ZINC000048290685 493812182 /nfs/dbraw/zinc/81/21/82/493812182.db2.gz VKCWEJRQYBZWBZ-ZDUSSCGKSA-N 1 0 358.223 3.104 50 0 FGAARO O[C@H](C[NH2+]CCOc1ccccc1F)COc1ccc2ccccc2c1 ZINC000002624385 493812409 /nfs/dbraw/zinc/81/24/09/493812409.db2.gz WVPYLBINBGLABF-GOSISDBHSA-N 1 0 355.409 3.387 50 0 FGAARO OCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000002679986 493815156 /nfs/dbraw/zinc/81/51/56/493815156.db2.gz RMZKKZMBOSWRNA-MRXNPFEDSA-N 1 0 370.276 3.228 50 0 FGAARO O=C(CCCOc1ccccc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000048353845 493819750 /nfs/dbraw/zinc/81/97/50/493819750.db2.gz MMFSSIJCPOHICO-UHFFFAOYSA-N 1 0 353.466 3.021 50 0 FGAARO Cc1ccccc1Cn1cc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000002798816 493820170 /nfs/dbraw/zinc/82/01/70/493820170.db2.gz QMFAAPDPKUSJIU-JLYLLQBASA-N 1 0 369.538 3.151 50 0 FGAARO Cc1ccc(S[C@@H](C)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000048480864 493832165 /nfs/dbraw/zinc/83/21/65/493832165.db2.gz CLDYDIMXWFDKCB-KRWDZBQOSA-N 1 0 362.539 3.046 50 0 FGAARO O=C(Cc1ccc2c(c1)CCO2)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058209292 493834213 /nfs/dbraw/zinc/83/42/13/493834213.db2.gz GKHOLPSDBXPPDD-QGZVFWFLSA-N 1 0 370.518 3.254 50 0 FGAARO CSCc1nc2ccccc2n1CC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000058216041 493834803 /nfs/dbraw/zinc/83/48/03/493834803.db2.gz ULVOXABOWRSKAW-INIZCTEOSA-N 1 0 374.554 3.136 50 0 FGAARO COc1ccc(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000003287107 493836360 /nfs/dbraw/zinc/83/63/60/493836360.db2.gz OJDNWGADZKSJLW-UHFFFAOYSA-N 1 0 369.534 3.324 50 0 FGAARO CC(=O)c1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000003328571 493839148 /nfs/dbraw/zinc/83/91/48/493839148.db2.gz XQVVGEATYWDKIT-IBGZPJMESA-N 1 0 370.449 3.204 50 0 FGAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCCCO2 ZINC000029839616 493861028 /nfs/dbraw/zinc/86/10/28/493861028.db2.gz NNYMNPGEGCAPSY-UHFFFAOYSA-N 1 0 366.461 3.026 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000004122527 493865255 /nfs/dbraw/zinc/86/52/55/493865255.db2.gz UOAOQEDYTBGOOX-UHFFFAOYSA-N 1 0 374.282 3.453 50 0 FGAARO O=C1[C@@H]2CC(Cl)=CC[C@@H]2C(=O)N1CCC[n+]1cccc2ccccc21 ZINC000004267271 493870535 /nfs/dbraw/zinc/87/05/35/493870535.db2.gz HVWNHGXCVLCZKJ-DLBZAZTESA-N 1 0 355.845 3.035 50 0 FGAARO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)cc1 ZINC000004320425 493872529 /nfs/dbraw/zinc/87/25/29/493872529.db2.gz OKXPRGLLRKUHLA-KRWDZBQOSA-N 1 0 363.498 3.033 50 0 FGAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccco3)nc21 ZINC000004359408 493874360 /nfs/dbraw/zinc/87/43/60/493874360.db2.gz WMVMNRLTGAIFML-UHFFFAOYSA-N 1 0 359.451 3.415 50 0 FGAARO CCOc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Cl ZINC000004360187 493875437 /nfs/dbraw/zinc/87/54/37/493875437.db2.gz PXCWJRHXONOGQO-UHFFFAOYSA-N 1 0 374.934 3.326 50 0 FGAARO Cc1cccc(N2CCN(CC[NH2+]Cc3cccc4cccnc43)CC2)c1 ZINC000030905251 493912292 /nfs/dbraw/zinc/91/22/92/493912292.db2.gz NZZVBUDQUXZECE-UHFFFAOYSA-N 1 0 360.505 3.455 50 0 FGAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000005274573 493923373 /nfs/dbraw/zinc/92/33/73/493923373.db2.gz YXJVOZJXIUGFFG-HXUWFJFHSA-N 1 0 361.445 3.249 50 0 FGAARO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@@H](C)[NH+]1CCC(C)CC1 ZINC000005575611 493936081 /nfs/dbraw/zinc/93/60/81/493936081.db2.gz NHAUEONHXDMATC-CYBMUJFWSA-N 1 0 373.453 3.022 50 0 FGAARO C[C@H](C1CC1)[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 ZINC000031654612 493952791 /nfs/dbraw/zinc/95/27/91/493952791.db2.gz VKTQFBPDYQJQQR-GFCCVEGCSA-N 1 0 359.861 3.122 50 0 FGAARO CCCCC[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000006427663 493963143 /nfs/dbraw/zinc/96/31/43/493963143.db2.gz XEZHFHZHTSXRSJ-UHFFFAOYSA-N 1 0 362.392 3.449 50 0 FGAARO CCOC(=O)C1CC[NH+](CCCOc2ccc(Br)cc2)CC1 ZINC000006701939 493975143 /nfs/dbraw/zinc/97/51/43/493975143.db2.gz TXAWHDWYEKEMJS-UHFFFAOYSA-N 1 0 370.287 3.493 50 0 FGAARO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c(C)c1F ZINC000082086609 493977182 /nfs/dbraw/zinc/97/71/82/493977182.db2.gz JSCGVPHIMQKBMJ-NRFANRHFSA-N 1 0 362.489 3.030 50 0 FGAARO CC[NH+]1CCN(c2ncnc3c2c(C)c(C)n3CCc2ccccc2)CC1 ZINC000006759087 493977697 /nfs/dbraw/zinc/97/76/97/493977697.db2.gz WVJIDMXZWYSKTN-UHFFFAOYSA-N 1 0 363.509 3.433 50 0 FGAARO Cc1nn(Cc2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c(C)c1Cl ZINC000032501758 493993833 /nfs/dbraw/zinc/99/38/33/493993833.db2.gz VOHYXLYUPHEAJZ-GOSISDBHSA-N 1 0 372.900 3.122 50 0 FGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(Br)ccc2F)N1 ZINC000007127049 494002979 /nfs/dbraw/zinc/00/29/79/494002979.db2.gz YAYIWXKVBWYUQQ-CYBMUJFWSA-N 1 0 360.190 3.034 50 0 FGAARO COc1ccc(C2=NN(C(=O)C[NH2+]C(C)(C)C)[C@H](c3ccco3)C2)cc1 ZINC000032651997 494003128 /nfs/dbraw/zinc/00/31/28/494003128.db2.gz KKYIUCCWYNVPSY-KRWDZBQOSA-N 1 0 355.438 3.354 50 0 FGAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCCc2ccc(F)cc2)cc1 ZINC000032665128 494003984 /nfs/dbraw/zinc/00/39/84/494003984.db2.gz XPBNJDZTZIVMTO-FQEVSTJZSA-N 1 0 356.441 3.330 50 0 FGAARO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000032764874 494013818 /nfs/dbraw/zinc/01/38/18/494013818.db2.gz YBVUKNPIBVIJFI-HXUWFJFHSA-N 1 0 365.477 3.167 50 0 FGAARO COc1ccc(CC[N@H+](C)[C@@H](C)C(=O)N2CCc3ccccc32)cc1OC ZINC000007390323 494019483 /nfs/dbraw/zinc/01/94/83/494019483.db2.gz YEUJCNXNZGCBEO-INIZCTEOSA-N 1 0 368.477 3.156 50 0 FGAARO Cc1c2ccccc2nc(SCC(=O)Nc2cc(F)cc(F)c2)[n+]1C ZINC000032858344 494021561 /nfs/dbraw/zinc/02/15/61/494021561.db2.gz YQVPEILTQLADLW-UHFFFAOYSA-N 1 0 359.401 3.250 50 0 FGAARO COc1cccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000032862455 494022668 /nfs/dbraw/zinc/02/26/68/494022668.db2.gz NJGRTNKZIFWIPD-UHFFFAOYSA-N 1 0 353.466 3.159 50 0 FGAARO CCc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000032951805 494031684 /nfs/dbraw/zinc/03/16/84/494031684.db2.gz VYBVEJDICKVCPM-UHFFFAOYSA-N 1 0 350.528 3.136 50 0 FGAARO Cc1nn(CC(C)C)c(C)c1CCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000052551962 494038250 /nfs/dbraw/zinc/03/82/50/494038250.db2.gz 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494077525 /nfs/dbraw/zinc/07/75/25/494077525.db2.gz COFIWQUPGWNVNA-UHFFFAOYSA-N 1 0 371.843 3.390 50 0 FGAARO COCCC[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COCc1ccco1 ZINC000036030979 494083889 /nfs/dbraw/zinc/08/38/89/494083889.db2.gz RJZPZDTTZWYKOH-HXUWFJFHSA-N 1 0 361.482 3.313 50 0 FGAARO CCOc1ccc(OCC[NH2+][C@@H](C)CC(=O)Nc2cccc(OC)c2)cc1 ZINC000008345298 494085970 /nfs/dbraw/zinc/08/59/70/494085970.db2.gz MEHLJDJHILOMOS-INIZCTEOSA-N 1 0 372.465 3.480 50 0 FGAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccccc2)C(C)C)cc1OC ZINC000036095783 494086063 /nfs/dbraw/zinc/08/60/63/494086063.db2.gz VBLLTWAQJMOTFX-SFHVURJKSA-N 1 0 359.466 3.354 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1noc2c1CCCCC2 ZINC000036360037 494090045 /nfs/dbraw/zinc/09/00/45/494090045.db2.gz DFBDGSYTAUEKNK-UHFFFAOYSA-N 1 0 353.466 3.338 50 0 FGAARO CCCc1nc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)cs1 ZINC000077488224 494093933 /nfs/dbraw/zinc/09/39/33/494093933.db2.gz GBDPYVSXJKTJAT-UHFFFAOYSA-N 1 0 369.534 3.411 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@]3(C)CC3(Cl)Cl)cc2)CC1 ZINC000008780067 494105616 /nfs/dbraw/zinc/10/56/16/494105616.db2.gz YEQVVPXZKLUQNW-INIZCTEOSA-N 1 0 356.297 3.351 50 0 FGAARO CCCCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)s1 ZINC000077539561 494108584 /nfs/dbraw/zinc/10/85/84/494108584.db2.gz FKRYQVAJOLZGDK-FQEVSTJZSA-N 1 0 364.555 3.288 50 0 FGAARO COc1cccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+](C)C)c1 ZINC000053272799 494112608 /nfs/dbraw/zinc/11/26/08/494112608.db2.gz ZUOCCMLNQZXCEO-IBGZPJMESA-N 1 0 365.433 3.383 50 0 FGAARO C[N@H+](Cc1ccccc1)C1(C(=O)NCc2ccncc2)Cc2ccccc2C1 ZINC000039364951 494120932 /nfs/dbraw/zinc/12/09/32/494120932.db2.gz PYDDXXARARYHLP-UHFFFAOYSA-N 1 0 371.484 3.367 50 0 FGAARO CC[NH+](CC)CCNc1ncnc2c1c(C)c(C)n2Cc1ccccn1 ZINC000009422639 494123660 /nfs/dbraw/zinc/12/36/60/494123660.db2.gz CPFPRDLDQVTYPM-UHFFFAOYSA-N 1 0 352.486 3.245 50 0 FGAARO Cc1nc([C@@H]2CCC[N@H+](Cc3cnc(CC4CCCC4)[nH]3)C2)cc(=O)[nH]1 ZINC000072125589 494129614 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COc1ccc([C@@H](CNC(=O)c2cc(C)cc(C)c2)[NH+](C)C)cc1OC ZINC000009834022 494133405 /nfs/dbraw/zinc/13/34/05/494133405.db2.gz QIGHRGMLUUZFKG-GOSISDBHSA-N 1 0 356.466 3.353 50 0 FGAARO COc1ccc(C(=O)c2ccccc2C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000085651536 494135320 /nfs/dbraw/zinc/13/53/20/494135320.db2.gz KVRGRIVARSFEAH-UHFFFAOYSA-N 1 0 367.445 3.265 50 0 FGAARO Cc1ccc(-c2nc3sccn3c2C[N@@H+]2CCC[C@](O)(CO)CC2)cc1 ZINC000072150360 494136138 /nfs/dbraw/zinc/13/61/38/494136138.db2.gz GKJCYWADUFAZQT-HXUWFJFHSA-N 1 0 371.506 3.081 50 0 FGAARO CCn1cc(CNc2nc(-c3ccc(Cl)cc3)nc3c2C[NH2+]C3)cn1 ZINC000072153587 494136599 /nfs/dbraw/zinc/13/65/99/494136599.db2.gz RLNJTTRXTVVUEJ-UHFFFAOYSA-N 1 0 354.845 3.229 50 0 FGAARO O=C(NC1CC1)c1ccc(C[N@@H+](CCOCC(F)(F)F)C2CC2)cc1 ZINC000040152891 494137677 /nfs/dbraw/zinc/13/76/77/494137677.db2.gz CJFRJKVUXUQAJL-UHFFFAOYSA-N 1 0 356.388 3.122 50 0 FGAARO c1ccc(CO[C@H]2CCC[N@H+](Cc3cnc(-c4ccccn4)nc3)C2)nc1 ZINC000072159210 494137960 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O=C(NCC[NH+]1CCCC1)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000040451193 494143760 /nfs/dbraw/zinc/14/37/60/494143760.db2.gz FFMZUQPFHIJCBD-UHFFFAOYSA-N 1 0 367.424 3.383 50 0 FGAARO COc1cc(Cl)cc(C[NH2+]CCCN2CCCC2=O)c1OC(C)C ZINC000040728437 494146128 /nfs/dbraw/zinc/14/61/28/494146128.db2.gz LPNYAIWPPBKWPC-UHFFFAOYSA-N 1 0 354.878 3.238 50 0 FGAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]CCSc1nnnn1C ZINC000040721879 494146271 /nfs/dbraw/zinc/14/62/71/494146271.db2.gz DOZOXCUURWLIMR-UHFFFAOYSA-N 1 0 357.483 3.032 50 0 FGAARO OCCOCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000010315453 494149296 /nfs/dbraw/zinc/14/92/96/494149296.db2.gz RLBBJIWHUIORSH-UHFFFAOYSA-N 1 0 358.869 3.442 50 0 FGAARO Cc1ncc(C(=O)N2CCCC[C@H]2CC[NH+](C)C)c(-c2ccccc2)n1 ZINC000072408530 494166109 /nfs/dbraw/zinc/16/61/09/494166109.db2.gz AWQVIFVRXOHWJO-SFHVURJKSA-N 1 0 352.482 3.398 50 0 FGAARO Cc1cc(C[N@H+]2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)oc1C ZINC000072421323 494169583 /nfs/dbraw/zinc/16/95/83/494169583.db2.gz CFVOMMLKZISOID-SFHVURJKSA-N 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CCn1ccnc1CN(C)CC1CC[NH+](CCc2ccccc2OC)CC1 ZINC000012210173 494215196 /nfs/dbraw/zinc/21/51/96/494215196.db2.gz XWFHLCVHSMXSKT-UHFFFAOYSA-N 1 0 370.541 3.298 50 0 FGAARO Cc1c[nH]c(CN2CC[C@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)n1 ZINC000012303138 494221264 /nfs/dbraw/zinc/22/12/64/494221264.db2.gz GAYKXVGMYNAHEB-HXUWFJFHSA-N 1 0 360.452 3.484 50 0 FGAARO CN(Cc1ccsc1)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326185 494224434 /nfs/dbraw/zinc/22/44/34/494224434.db2.gz NEXTWAOEPIBLFS-KRWDZBQOSA-N 1 0 371.506 3.057 50 0 FGAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)C=C(C)C ZINC000012431055 494231719 /nfs/dbraw/zinc/23/17/19/494231719.db2.gz HULGEGJOZGOULG-UHFFFAOYSA-N 1 0 374.525 3.348 50 0 FGAARO CCn1ncc(C[NH2+][C@H]2CC(=O)N(Cc3cccc4ccccc43)C2)c1C ZINC000012458531 494234641 /nfs/dbraw/zinc/23/46/41/494234641.db2.gz WWUKRTILEDZJGR-FQEVSTJZSA-N 1 0 362.477 3.255 50 0 FGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](C2=Cc3cc(Cl)ccc3OC2)N1 ZINC000012535458 494239589 /nfs/dbraw/zinc/23/95/89/494239589.db2.gz ANOJCCJUGORJOD-INIZCTEOSA-N 1 0 351.797 3.214 50 0 FGAARO O=C(c1coc(COc2ccc(F)cc2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000012587520 494245279 /nfs/dbraw/zinc/24/52/79/494245279.db2.gz LAZUCVWSMHOVRD-UHFFFAOYSA-N 1 0 373.428 3.093 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc4ccccc43)cn2)CC1 ZINC000012613115 494247258 /nfs/dbraw/zinc/24/72/58/494247258.db2.gz LICSYZWTEYRGGM-UHFFFAOYSA-N 1 0 360.461 3.168 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc4ccccc4s3)cn2)CC1 ZINC000012613730 494247290 /nfs/dbraw/zinc/24/72/90/494247290.db2.gz UYBRNEMUOHUEHN-UHFFFAOYSA-N 1 0 352.463 3.300 50 0 FGAARO Cc1c2ccccc2oc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012612570 494247664 /nfs/dbraw/zinc/24/76/64/494247664.db2.gz JVMIPEQGNCIUHJ-UHFFFAOYSA-N 1 0 350.422 3.140 50 0 FGAARO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)cc1 ZINC000012752790 494254007 /nfs/dbraw/zinc/25/40/07/494254007.db2.gz PCVABUZUKJDWAY-HOTGVXAUSA-N 1 0 371.456 3.270 50 0 FGAARO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000012747524 494254335 /nfs/dbraw/zinc/25/43/35/494254335.db2.gz DFEYDOYVMWGFMF-ROUUACIJSA-N 1 0 367.493 3.440 50 0 FGAARO Cc1noc2nc(C)cc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c12 ZINC000012754871 494255422 /nfs/dbraw/zinc/25/54/22/494255422.db2.gz KEYPODWQUDTDKY-UHFFFAOYSA-N 1 0 364.449 3.365 50 0 FGAARO CC[C@@H](CO)[N@H+](Cc1ccco1)Cc1cc(Cn2cncn2)c(C)cc1C ZINC000055054309 494295257 /nfs/dbraw/zinc/29/52/57/494295257.db2.gz PTHUFYPDIQJTDO-FQEVSTJZSA-N 1 0 368.481 3.309 50 0 FGAARO C[C@@H]1SCC[N@H+](CCn2c(=O)oc3cccnc32)[C@@H]1c1ccccc1 ZINC000089428283 494304990 /nfs/dbraw/zinc/30/49/90/494304990.db2.gz JGRLNJXGELFJKJ-YOEHRIQHSA-N 1 0 355.463 3.168 50 0 FGAARO C[C@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)c1nc2ccccc2[nH]1 ZINC000055198263 494313034 /nfs/dbraw/zinc/31/30/34/494313034.db2.gz HKIYTRJXPNOXGF-AWEZNQCLSA-N 1 0 361.449 3.244 50 0 FGAARO Cc1nc(-n2cccc2)sc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000043746930 494316450 /nfs/dbraw/zinc/31/64/50/494316450.db2.gz VJENJURUBXAXBH-HOTGVXAUSA-N 1 0 358.511 3.237 50 0 FGAARO COC(=O)c1ccc(C(=O)NCC2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000043971762 494331999 /nfs/dbraw/zinc/33/19/99/494331999.db2.gz KXCPZZRDWNSCEJ-UHFFFAOYSA-N 1 0 372.490 3.177 50 0 FGAARO O=C(CCc1ccc(Br)cc1F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000089768243 494359231 /nfs/dbraw/zinc/35/92/31/494359231.db2.gz DDICMQOVPPGTFC-HNNXBMFYSA-N 1 0 369.278 3.218 50 0 FGAARO O[C@H](COC1CCCCC1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000016578809 494393782 /nfs/dbraw/zinc/39/37/82/494393782.db2.gz CJNDXMOPGVAGFM-SFHVURJKSA-N 1 0 352.906 3.172 50 0 FGAARO C[C@H](OC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N(C)Cc1ccccc1 ZINC000079104132 494405019 /nfs/dbraw/zinc/40/50/19/494405019.db2.gz APYBNQQSIMTJPP-PKOBYXMFSA-N 1 0 372.509 3.231 50 0 FGAARO Cn1nc(-c2cccs2)cc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079193925 494416731 /nfs/dbraw/zinc/41/67/31/494416731.db2.gz NCULNSVMLLNEEF-GOEBONIOSA-N 1 0 358.511 3.143 50 0 FGAARO COC(=O)c1cnc(N2CCC([NH+]3CCCCC3)CC2)c2ccccc12 ZINC000021103368 494488518 /nfs/dbraw/zinc/48/85/18/494488518.db2.gz DEDMLEHHVXXITM-UHFFFAOYSA-N 1 0 353.466 3.476 50 0 FGAARO Cc1ccc(NC(=O)CN2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000022835001 494537285 /nfs/dbraw/zinc/53/72/85/494537285.db2.gz MUFOHTFDRGUULP-UHFFFAOYSA-N 1 0 351.494 3.184 50 0 FGAARO FC(F)(F)c1cccc(-n2ccnc2-c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000091321735 494584525 /nfs/dbraw/zinc/58/45/25/494584525.db2.gz DJDOSGQARNZHBC-UHFFFAOYSA-N 1 0 362.359 3.074 50 0 FGAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1cccc(Cl)c1F)CC2 ZINC000091391200 494592829 /nfs/dbraw/zinc/59/28/29/494592829.db2.gz PJMWRUBVZPPSAS-UHFFFAOYSA-N 1 0 368.880 3.330 50 0 FGAARO Cc1cc(C)c2[nH]c(C[NH+]3CCC(c4nccn4C)CC3)cc(=O)c2c1 ZINC000091468853 494604266 /nfs/dbraw/zinc/60/42/66/494604266.db2.gz MJQOKAKYTDYAGS-UHFFFAOYSA-N 1 0 350.466 3.258 50 0 FGAARO Cc1c[nH]c(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c(C)c1=O ZINC000091486669 494611250 /nfs/dbraw/zinc/61/12/50/494611250.db2.gz MSHCCXXAFCEHQK-VQTJNVASSA-N 1 0 351.494 3.088 50 0 FGAARO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)cn1 ZINC000091526512 494612779 /nfs/dbraw/zinc/61/27/79/494612779.db2.gz XNCZLJCNGLKNFU-QFIPXVFZSA-N 1 0 370.541 3.295 50 0 FGAARO C[NH+]1CCN(Cc2cccc(NC(=O)/C=C/c3cccc(F)c3)c2)CC1 ZINC000057053906 494630758 /nfs/dbraw/zinc/63/07/58/494630758.db2.gz KLDBXKGGWVGEBA-CMDGGOBGSA-N 1 0 353.441 3.225 50 0 FGAARO C[C@@H]1CCC[N@H+](CCn2cc(-c3cnc(-c4cccs4)nc3)nn2)C1 ZINC000091663203 494636879 /nfs/dbraw/zinc/63/68/79/494636879.db2.gz XYZXWPNPZJNNGD-CQSZACIVSA-N 1 0 354.483 3.196 50 0 FGAARO NC(=O)c1ccc2[nH]c(C[N@@H+]3CC[C@H](c4ccccc4F)C3)cc(=O)c2c1 ZINC000091665503 494639061 /nfs/dbraw/zinc/63/90/61/494639061.db2.gz SGWAGBMIZJDQHT-AWEZNQCLSA-N 1 0 365.408 3.168 50 0 FGAARO Cc1nccn1CC1CC[NH+](Cc2cc(=O)c3cc(C)ccc3[nH]2)CC1 ZINC000091677497 494642390 /nfs/dbraw/zinc/64/23/90/494642390.db2.gz AEEBCSJLFWFGLZ-UHFFFAOYSA-N 1 0 350.466 3.254 50 0 FGAARO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)cc2C)cc1 ZINC000024813129 494668194 /nfs/dbraw/zinc/66/81/94/494668194.db2.gz JKPVLCDEIATWMO-KRWDZBQOSA-N 1 0 368.477 3.227 50 0 FGAARO O[C@H](COCc1cccs1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000025043522 494691737 /nfs/dbraw/zinc/69/17/37/494691737.db2.gz PJYRYVJULUFHMD-KRWDZBQOSA-N 1 0 366.914 3.101 50 0 FGAARO Cc1noc2ncc(C(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)cc12 ZINC000116065045 494693398 /nfs/dbraw/zinc/69/33/98/494693398.db2.gz CZROQWXWXRZLEL-OAHLLOKOSA-N 1 0 364.449 3.487 50 0 FGAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000075166732 494700636 /nfs/dbraw/zinc/70/06/36/494700636.db2.gz VGKPHVZVZBPDGM-HXUWFJFHSA-N 1 0 366.440 3.259 50 0 FGAARO O=C(c1ccccc1)N1C[C@H]2CC[C@H](C[N@H+]2CCOCc2ccccc2)C1 ZINC000091871377 494710187 /nfs/dbraw/zinc/71/01/87/494710187.db2.gz MOXHLQQXCSSZTR-IFMALSPDSA-N 1 0 364.489 3.440 50 0 FGAARO COc1cccc(C[NH2+]C[C@H]2COc3ccccc3O2)c1OC(F)F ZINC000025261805 494713621 /nfs/dbraw/zinc/71/36/21/494713621.db2.gz XEOOPHURFNSZQR-ZDUSSCGKSA-N 1 0 351.349 3.226 50 0 FGAARO Cc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cs1 ZINC000091933915 494727584 /nfs/dbraw/zinc/72/75/84/494727584.db2.gz XTOYBFMHWJNKFB-MAUKXSAKSA-N 1 0 367.518 3.155 50 0 FGAARO C[C@@H](O)CN1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1Cl)CC2 ZINC000091943813 494729858 /nfs/dbraw/zinc/72/98/58/494729858.db2.gz UOGQGLQQLLFFQV-CQSZACIVSA-N 1 0 368.880 3.065 50 0 FGAARO CCCn1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)c(C)n1 ZINC000091966486 494738142 /nfs/dbraw/zinc/73/81/42/494738142.db2.gz KDFJMXQVQSTJNV-LJQANCHMSA-N 1 0 358.461 3.308 50 0 FGAARO COc1ccc(CC(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000025536154 494754498 /nfs/dbraw/zinc/75/44/98/494754498.db2.gz JOXIPPWRPHYADB-QFIPXVFZSA-N 1 0 366.505 3.437 50 0 FGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cc(C)n[nH]3)CC2)C1 ZINC000092061660 494771629 /nfs/dbraw/zinc/77/16/29/494771629.db2.gz SEBIIKYGXICQIM-IBGZPJMESA-N 1 0 366.509 3.450 50 0 FGAARO O=C(CCc1ccc2[nH]cnc2c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000075478850 494774282 /nfs/dbraw/zinc/77/42/82/494774282.db2.gz QBVAUOVZHYRNES-UHFFFAOYSA-N 1 0 362.477 3.276 50 0 FGAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc2ccccc2oc1=O ZINC000027604770 494877113 /nfs/dbraw/zinc/87/71/13/494877113.db2.gz ZANXFPILTYSCOP-MRXNPFEDSA-N 1 0 368.458 3.421 50 0 FGAARO Cc1cc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)nn1-c1cc(C)cc(C)c1 ZINC000127344485 494931682 /nfs/dbraw/zinc/93/16/82/494931682.db2.gz WGGBFSCYQGMBTM-KRWDZBQOSA-N 1 0 355.486 3.213 50 0 FGAARO O=C(NCc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095355613 494962799 /nfs/dbraw/zinc/96/27/99/494962799.db2.gz HTECEAMKPGWKRS-CYBMUJFWSA-N 1 0 372.856 3.338 50 0 FGAARO c1ccc(-c2ncc(CN3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)cn2)nc1 ZINC000095363277 494964410 /nfs/dbraw/zinc/96/44/10/494964410.db2.gz JYMMXZRTFKHCIG-AZUAARDMSA-N 1 0 363.509 3.235 50 0 FGAARO COc1ccc([C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)c2ccncc2)cc1 ZINC000095363028 494964607 /nfs/dbraw/zinc/96/46/07/494964607.db2.gz PRPWXQYIZVIJKC-OAQYLSRUSA-N 1 0 367.493 3.416 50 0 FGAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000095366219 494965677 /nfs/dbraw/zinc/96/56/77/494965677.db2.gz HOVCMTWVOBXURA-SFHVURJKSA-N 1 0 364.917 3.415 50 0 FGAARO COc1ccc2c(c1)CCN(C(=O)c1ccc([C@@H]3CCC[NH2+]3)s1)CC2 ZINC000095367151 494965827 /nfs/dbraw/zinc/96/58/27/494965827.db2.gz BEXIKWWKYUPWCF-KRWDZBQOSA-N 1 0 356.491 3.422 50 0 FGAARO CN(Cc1[nH]nc2c1CCCC2)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095368335 494966973 /nfs/dbraw/zinc/96/69/73/494966973.db2.gz JIQVMYAJZQGDIO-QGZVFWFLSA-N 1 0 352.482 3.028 50 0 FGAARO CN(Cc1cccc2cnccc21)C(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095372449 494967609 /nfs/dbraw/zinc/96/76/09/494967609.db2.gz OYRJNJTYQKPOFQ-LJQANCHMSA-N 1 0 367.493 3.084 50 0 FGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cccc(C)n2)C3)cc1 ZINC000095376852 494969011 /nfs/dbraw/zinc/96/90/11/494969011.db2.gz USVRHOSRSPDQRH-PZJWPPBQSA-N 1 0 351.494 3.495 50 0 FGAARO Cc1noc(C)c1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC000095382149 494970868 /nfs/dbraw/zinc/97/08/68/494970868.db2.gz JZJACAOPUNQUSS-GOSISDBHSA-N 1 0 353.466 3.272 50 0 FGAARO O=C(NCCc1noc(-c2ccccc2)n1)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095382775 494970986 /nfs/dbraw/zinc/97/09/86/494970986.db2.gz LGFIFJSDPFPJNQ-KRWDZBQOSA-N 1 0 368.481 3.050 50 0 FGAARO C[C@H](C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1)c1ccccc1 ZINC000095385983 494971848 /nfs/dbraw/zinc/97/18/48/494971848.db2.gz RDFGMVORCNDXTP-SFHVURJKSA-N 1 0 368.525 3.345 50 0 FGAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1c(C3CC3)nc3sccn13)C2 ZINC000095428449 494975040 /nfs/dbraw/zinc/97/50/40/494975040.db2.gz NHWUHVWCFPTFFP-AWEZNQCLSA-N 1 0 355.463 3.375 50 0 FGAARO CC(C)(C)c1ncc2c(n1)CN(C(=O)[C@H]1CCC[N@H+](Cc3ccco3)C1)C2 ZINC000095507123 494982661 /nfs/dbraw/zinc/98/26/61/494982661.db2.gz WVZLTLWVWOGVCG-HNNXBMFYSA-N 1 0 368.481 3.122 50 0 FGAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 ZINC000095527378 494987297 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221209568 /nfs/dbraw/zinc/20/95/68/221209568.db2.gz WYXJADWNRCHMAX-OAHLLOKOSA-N 1 0 353.470 3.183 50 0 FGAARO COc1cccc(C)c1NC(=O)c1cccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000065406465 221214701 /nfs/dbraw/zinc/21/47/01/221214701.db2.gz NHBQCRNQOIQFCZ-KDURUIRLSA-N 1 0 365.477 3.192 50 0 FGAARO c1cc([C@@H]2CC[N@@H+](Cc3cncnc3)C2)cc(-c2ccc3c(c2)OCCO3)n1 ZINC000065433343 221218736 /nfs/dbraw/zinc/21/87/36/221218736.db2.gz WYYYBMZJDHONKX-LJQANCHMSA-N 1 0 374.444 3.299 50 0 FGAARO Cc1ccccc1[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2)CC1)N(C)C ZINC000065399001 221211742 /nfs/dbraw/zinc/21/17/42/221211742.db2.gz LEDDGJRMCZOQMY-JOCHJYFZSA-N 1 0 365.521 3.492 50 0 FGAARO CC(C)[C@@H](CNC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1)[NH+](C)C ZINC000065496549 221227462 /nfs/dbraw/zinc/22/74/62/221227462.db2.gz IMQKUMRGMLYSFB-CRAIPNDOSA-N 1 0 366.937 3.052 50 0 FGAARO Cc1ccc2[nH]c(CN(C)c3cc([C@@H]4CCC[NH2+]C4)nc(C)n3)nc2c1 ZINC000067655116 221266036 /nfs/dbraw/zinc/26/60/36/221266036.db2.gz YQNYFQDIKQCRLO-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/28/77/23/221287723.db2.gz JOGHEKOJTXLSSX-UHFFFAOYSA-N 1 0 369.553 3.294 50 0 FGAARO CC[N@H+](Cc1cccc(C(=O)Nc2c(C)nn(C)c2C)c1)C1CCOCC1 ZINC000067820898 221289994 /nfs/dbraw/zinc/28/99/94/221289994.db2.gz RETBZAUXVYQXTR-UHFFFAOYSA-N 1 0 370.497 3.290 50 0 FGAARO O=C(NCc1cccnc1Oc1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000067756634 221281465 /nfs/dbraw/zinc/28/14/65/221281465.db2.gz DHFDHBJURCGPDX-ZDUSSCGKSA-N 1 0 361.392 3.158 50 0 FGAARO CC(C)([NH2+]C[C@]1(O)CCCN(CCc2ccccc2)C1=O)c1ccccc1 ZINC000067847478 221294304 /nfs/dbraw/zinc/29/43/04/221294304.db2.gz AXIQBLPGFQOUEI-HSZRJFAPSA-N 1 0 366.505 3.108 50 0 FGAARO c1[nH]c2ccccc2c1CCNc1nc(-c2cccnc2)nc2c1CC[NH2+]C2 ZINC000067880076 221299859 /nfs/dbraw/zinc/29/98/59/221299859.db2.gz SKLDHMPQJLMJQI-UHFFFAOYSA-N 1 0 370.460 3.320 50 0 FGAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000069653547 221326889 /nfs/dbraw/zinc/32/68/89/221326889.db2.gz NQKGSYMYCQFZPB-WMZOPIPTSA-N 1 0 368.477 3.371 50 0 FGAARO CC[N@H+](C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000071615095 221352182 /nfs/dbraw/zinc/35/21/82/221352182.db2.gz VSEJGRBIHGMPOG-UHFFFAOYSA-N 1 0 364.493 3.409 50 0 FGAARO Cc1cccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071754353 221365024 /nfs/dbraw/zinc/36/50/24/221365024.db2.gz LMCLTQHVBWKKPV-NRFANRHFSA-N 1 0 369.553 3.294 50 0 FGAARO CCC(CC)NC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071760205 221366724 /nfs/dbraw/zinc/36/67/24/221366724.db2.gz HCLZDEWZXAAVCL-LJQANCHMSA-N 1 0 372.557 3.063 50 0 FGAARO COc1cccc2c1OCCCN(C(=O)c1ccccc1[C@@H]1CC[NH2+]C1)C2 ZINC000072156228 221433991 /nfs/dbraw/zinc/43/39/91/221433991.db2.gz LQYBMGJTZNBLAK-MRXNPFEDSA-N 1 0 366.461 3.197 50 0 FGAARO Cc1sc2ncnc(N3CCC([NH2+]C[C@H](O)c4ccco4)CC3)c2c1C ZINC000095506171 132212721 /nfs/dbraw/zinc/21/27/21/132212721.db2.gz SJILLWRIFIQOHA-HNNXBMFYSA-N 1 0 372.494 3.193 50 0 FGAARO Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000007105380 132259305 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C[C@H](CCn1cccn1)[NH2+]C1CCN(c2ccc(-n3ccnc3)cc2)CC1 ZINC000063835283 136132990 /nfs/dbraw/zinc/13/29/90/136132990.db2.gz GIUQSTBMXOOMBH-GOSISDBHSA-N 1 0 364.497 3.106 50 0 FGAARO Nc1nc(N2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)cc[nH+]1 ZINC000071774620 136140945 /nfs/dbraw/zinc/14/09/45/136140945.db2.gz VHZOVJPNBCPKOY-MRXNPFEDSA-N 1 0 358.445 3.410 50 0 FGAARO Cc1nnc(-c2cccc(N3CCC([NH2+]Cc4cnn(C)c4)CC3)c2)s1 ZINC000023380297 136152856 /nfs/dbraw/zinc/15/28/56/136152856.db2.gz NABHOPUZPUQENJ-UHFFFAOYSA-N 1 0 368.510 3.006 50 0 FGAARO COCCC[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000077518524 221640565 /nfs/dbraw/zinc/64/05/65/221640565.db2.gz VUJRCELJIKYPRY-UHFFFAOYSA-N 1 0 350.890 3.191 50 0 FGAARO COc1ccc2c(c1)CCN(C(=O)c1ccc([C@@H]3CCC[NH2+]C3)cc1)C2 ZINC000095392250 221898949 /nfs/dbraw/zinc/89/89/49/221898949.db2.gz ARHMAWQICFCXIU-LJQANCHMSA-N 1 0 350.462 3.361 50 0 FGAARO COc1cccc(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]n2)c1 ZINC000096125612 222035392 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COc1ccccc1-n1cc(C[NH+]2CCC(c3ncncc3C)CC2)cn1 ZINC000097675498 222204581 /nfs/dbraw/zinc/20/45/81/222204581.db2.gz SIQDBAATJFCUTF-UHFFFAOYSA-N 1 0 363.465 3.359 50 0 FGAARO O=C(Nc1ccccc1Oc1ccccc1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000097742704 222208926 /nfs/dbraw/zinc/20/89/26/222208926.db2.gz MBJYPBUYMWJVJJ-OALUTQOASA-N 1 0 367.449 3.152 50 0 FGAARO Nc1nc(CCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cs1 ZINC000097759349 222210863 /nfs/dbraw/zinc/21/08/63/222210863.db2.gz QTDMJXALVWFRFX-SFHVURJKSA-N 1 0 372.538 3.391 50 0 FGAARO C[C@H](CCC(=O)N1CCn2nc(Cc3ccccc3)cc2C1)[NH+]1CCCC1 ZINC000097805586 222214830 /nfs/dbraw/zinc/21/48/30/222214830.db2.gz SUDNGPNRLXWJDI-GOSISDBHSA-N 1 0 366.509 3.081 50 0 FGAARO Cc1ncsc1CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000097805509 222215096 /nfs/dbraw/zinc/21/50/96/222215096.db2.gz NKIAMGINQWONKT-KRWDZBQOSA-N 1 0 357.523 3.331 50 0 FGAARO Cc1ccnc(NC=C2N=C(c3ccccc3Br)OC2=O)c1 ZINC000100530643 222246346 /nfs/dbraw/zinc/24/63/46/222246346.db2.gz 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CC(=O)N(C)c1ccc(-c2ccc(C(=O)N3CCC[C@H](C[NH3+])C3)cc2)cc1 ZINC000426589045 263640753 /nfs/dbraw/zinc/64/07/53/263640753.db2.gz NLHLKAVDFGGZPT-QGZVFWFLSA-N 1 0 365.477 3.147 50 0 FGAARO CC(=O)c1cc(-c2ccc(C(=O)NCC[C@H]3CCC[N@H+]3C)cc2)ccc1O ZINC000426719791 263663284 /nfs/dbraw/zinc/66/32/84/263663284.db2.gz CYKNOCVAXMFHPV-LJQANCHMSA-N 1 0 366.461 3.476 50 0 FGAARO O=C(NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](C2CCSCC2)CC1 ZINC000057530786 493771376 /nfs/dbraw/zinc/77/13/76/493771376.db2.gz NKHYFXCBGDVGGC-UHFFFAOYSA-N 1 0 363.571 3.178 50 0 FGAARO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)cc3o2)[NH+](C)C)cc1 ZINC000028291279 493784105 /nfs/dbraw/zinc/78/41/05/493784105.db2.gz DGKPKNCTAGQNRM-SFHVURJKSA-N 1 0 364.445 3.443 50 0 FGAARO CNc1cc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c2ccccc2n1 ZINC000076017690 493809110 /nfs/dbraw/zinc/80/91/10/493809110.db2.gz DMXLXHNMQMDLDO-BZUAXINKSA-N 1 0 354.498 3.373 50 0 FGAARO Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000002792359 493820311 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COc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000004725451 493890262 /nfs/dbraw/zinc/89/02/62/493890262.db2.gz OUKUIWUYLLIGKA-UHFFFAOYSA-N 1 0 368.477 3.232 50 0 FGAARO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OC(C)C ZINC000004867914 493897476 /nfs/dbraw/zinc/89/74/76/493897476.db2.gz DMZAOSUBZUFYAI-UHFFFAOYSA-N 1 0 360.292 3.496 50 0 FGAARO C[NH+](C)CCNC(=O)c1cc(-c2ccccn2)nc2c(Cl)cccc12 ZINC000005048550 493911088 /nfs/dbraw/zinc/91/10/88/493911088.db2.gz CJRCEIGEAHRRIQ-UHFFFAOYSA-N 1 0 354.841 3.242 50 0 FGAARO Cc1cc(C)n(-c2nc(NCCC[NH+](C)C)cc(-c3ccccc3)n2)n1 ZINC000005354184 493926942 /nfs/dbraw/zinc/92/69/42/493926942.db2.gz BZEQWJGTMCMNHF-UHFFFAOYSA-N 1 0 350.470 3.310 50 0 FGAARO CCC[NH+](CCC)CC1=NC(=O)N[C@H](c2ccc(C)cc2)C1C(=O)OCC ZINC000051318456 493962003 /nfs/dbraw/zinc/96/20/03/493962003.db2.gz FEJHXFZGGGINPG-LJQANCHMSA-N 1 0 373.497 3.288 50 0 FGAARO Cc1ccc(NC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)c(Cl)c1 ZINC000006800220 493980825 /nfs/dbraw/zinc/98/08/25/493980825.db2.gz 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CCC[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036100233 494086420 /nfs/dbraw/zinc/08/64/20/494086420.db2.gz XOLARMGNJCMOPU-SFHVURJKSA-N 1 0 359.466 3.356 50 0 FGAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccccc2C)C2CC2)cc1OC ZINC000036095844 494086755 /nfs/dbraw/zinc/08/67/55/494086755.db2.gz IXGWOPJKILIJHV-IBGZPJMESA-N 1 0 371.477 3.417 50 0 FGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000008367084 494087705 /nfs/dbraw/zinc/08/77/05/494087705.db2.gz SZDREZZDYIYRNW-MJGOQNOKSA-N 1 0 356.853 3.034 50 0 FGAARO Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)cc1F ZINC000036708092 494095775 /nfs/dbraw/zinc/09/57/75/494095775.db2.gz JTQBQWXAOLAFLK-UHFFFAOYSA-N 1 0 372.448 3.066 50 0 FGAARO Cc1c(C(=O)N2CCC[C@H](C)C2)c(C(F)(F)F)nn1[C@@H]1CCC[N@H+](C)C1 ZINC000036704395 494095922 /nfs/dbraw/zinc/09/59/22/494095922.db2.gz PEBJJNCCHQKHQG-GXTWGEPZSA-N 1 0 372.435 3.349 50 0 FGAARO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000008940601 494109147 /nfs/dbraw/zinc/10/91/47/494109147.db2.gz BVFFUUMYOHQQQW-RDJZCZTQSA-N 1 0 355.482 3.405 50 0 FGAARO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000009155024 494115616 /nfs/dbraw/zinc/11/56/16/494115616.db2.gz FGMSQUKKYYCBOJ-UHFFFAOYSA-N 1 0 351.450 3.171 50 0 FGAARO COc1cc(C[NH2+]Cc2cc3c(c(Cl)c2)OCO3)cc(OC)c1OC ZINC000039979631 494125139 /nfs/dbraw/zinc/12/51/39/494125139.db2.gz KWONOLIPNWKUAV-UHFFFAOYSA-N 1 0 365.813 3.384 50 0 FGAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1 ZINC000040023378 494126794 /nfs/dbraw/zinc/12/67/94/494126794.db2.gz GSHQMDIUVYCEOY-IIBYNOLFSA-N 1 0 368.477 3.373 50 0 FGAARO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000040018040 494126868 /nfs/dbraw/zinc/12/68/68/494126868.db2.gz GVZUQRXCNVSYKM-ROUUACIJSA-N 1 0 357.498 3.128 50 0 FGAARO Cc1nccc(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072133510 494131214 /nfs/dbraw/zinc/13/12/14/494131214.db2.gz ICEHFGPKBGBXPT-CDHQVMDDSA-N 1 0 356.420 3.130 50 0 FGAARO CC(C)(C(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000040107471 494132498 /nfs/dbraw/zinc/13/24/98/494132498.db2.gz XZTMFIKBWIZOJG-UHFFFAOYSA-N 1 0 365.315 3.470 50 0 FGAARO COCCCN(C(=O)Nc1ccc(OC)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000072150005 494134263 /nfs/dbraw/zinc/13/42/63/494134263.db2.gz PTTJQLAYMGYNJE-UHFFFAOYSA-N 1 0 369.893 3.313 50 0 FGAARO COC(=O)c1coc(CN2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000072152250 494135949 /nfs/dbraw/zinc/13/59/49/494135949.db2.gz NOQJZUQOWNSALK-SFHVURJKSA-N 1 0 357.454 3.250 50 0 FGAARO COc1ccccc1[C@@H]1CN(C(=O)c2cc(C)c[nH]2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072153353 494136893 /nfs/dbraw/zinc/13/68/93/494136893.db2.gz FEXAMRCXFUSXHW-IOMROCGXSA-N 1 0 365.477 3.034 50 0 FGAARO CSc1ncc(Cl)c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000040157761 494138868 /nfs/dbraw/zinc/13/88/68/494138868.db2.gz CTSYQRBZNUICGB-UHFFFAOYSA-N 1 0 356.923 3.046 50 0 FGAARO Fc1cccc([C@@H]2C[N@H+](Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000072162983 494139509 /nfs/dbraw/zinc/13/95/09/494139509.db2.gz OBRQJGQJLJCIQG-IOMROCGXSA-N 1 0 355.432 3.422 50 0 FGAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000072168867 494141807 /nfs/dbraw/zinc/14/18/07/494141807.db2.gz JJBOTEUHXBABSC-KRWDZBQOSA-N 1 0 358.461 3.185 50 0 FGAARO C[NH2+]Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040739971 494145755 /nfs/dbraw/zinc/14/57/55/494145755.db2.gz RKHGMAWNGBIPPH-UHFFFAOYSA-N 1 0 363.255 3.494 50 0 FGAARO OCC[NH2+]CCNCc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040720352 494145961 /nfs/dbraw/zinc/14/59/61/494145961.db2.gz DNVULROPJHPKQA-UHFFFAOYSA-N 1 0 369.292 3.244 50 0 FGAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000040732771 494146244 /nfs/dbraw/zinc/14/62/44/494146244.db2.gz OHCJLJQZGYNCKU-IBGZPJMESA-N 1 0 354.450 3.281 50 0 FGAARO Cc1ccccc1COc1cccc(C[NH2+]CCCN2CCOCC2)c1 ZINC000040720322 494146454 /nfs/dbraw/zinc/14/64/54/494146454.db2.gz FFGYCXVHCYZNSI-UHFFFAOYSA-N 1 0 354.494 3.386 50 0 FGAARO C[NH+](C)C[C@@H]1CCCC[C@@H]1NC(=O)CCn1ncc2ccc(Cl)cc21 ZINC000072246244 494146628 /nfs/dbraw/zinc/14/66/28/494146628.db2.gz KRBTYGOEKTUCHV-RDJZCZTQSA-N 1 0 362.905 3.316 50 0 FGAARO CC(C)c1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2cc[nH+]cc2)no1 ZINC000072242500 494146964 /nfs/dbraw/zinc/14/69/64/494146964.db2.gz LCRIIHILOWTLEI-HNNXBMFYSA-N 1 0 351.410 3.186 50 0 FGAARO Cc1nc([C@]2(O)CCC[NH2+]CC2)sc1CCOc1ccc(F)cc1 ZINC000072343623 494154560 /nfs/dbraw/zinc/15/45/60/494154560.db2.gz GIZYXEGBOFNVCN-SFHVURJKSA-N 1 0 350.459 3.173 50 0 FGAARO COCCCN1C[C@@]2(CCC[N@H+](Cc3cc(F)ccc3C)C2)CCC1=O ZINC000072411634 494167004 /nfs/dbraw/zinc/16/70/04/494167004.db2.gz ODARLMJEJRBVJQ-NRFANRHFSA-N 1 0 362.489 3.375 50 0 FGAARO c1cc(C[N@@H+]2CCc3ncnc(NCc4cccnc4)c3CC2)cs1 ZINC000072423728 494170271 /nfs/dbraw/zinc/17/02/71/494170271.db2.gz ZILPYHMRSHISJO-UHFFFAOYSA-N 1 0 351.479 3.146 50 0 FGAARO Cc1cc2nc(C(C)C)cc(NC3CC[NH+](C[C@H]4CCCO4)CC3)n2n1 ZINC000072428156 494171351 /nfs/dbraw/zinc/17/13/51/494171351.db2.gz 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ZINC000072477403 494180951 /nfs/dbraw/zinc/18/09/51/494180951.db2.gz QGLNJCNNGTWLRB-UHFFFAOYSA-N 1 0 355.438 3.050 50 0 FGAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N2CCCCC2)cc1 ZINC000072477363 494181375 /nfs/dbraw/zinc/18/13/75/494181375.db2.gz RPNIQTLKHGQPMW-FQEVSTJZSA-N 1 0 358.526 3.367 50 0 FGAARO CCn1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccccc3s2)n1 ZINC000011738083 494189133 /nfs/dbraw/zinc/18/91/33/494189133.db2.gz NPKBWMOYUHNIDX-UHFFFAOYSA-N 1 0 357.483 3.111 50 0 FGAARO CC(C)CC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000011771386 494189949 /nfs/dbraw/zinc/18/99/49/494189949.db2.gz JLKQEQZMOXJEGM-QGZVFWFLSA-N 1 0 362.489 3.154 50 0 FGAARO CC(C)CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011771728 494190465 /nfs/dbraw/zinc/19/04/65/494190465.db2.gz HYAUKKOKKWIIKT-NRFANRHFSA-N 1 0 371.569 3.477 50 0 FGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cccnc2)CC1 ZINC000011772218 494190914 /nfs/dbraw/zinc/19/09/14/494190914.db2.gz ZQVGAHORLIMBSK-UHFFFAOYSA-N 1 0 367.493 3.117 50 0 FGAARO Cc1noc2ncc(C(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)cc12 ZINC000054224003 494208890 /nfs/dbraw/zinc/20/88/90/494208890.db2.gz IULXBYZPXGHHLG-WMLDXEAASA-N 1 0 350.422 3.097 50 0 FGAARO COc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cc(C)on3)sc2c1 ZINC000012229512 494216130 /nfs/dbraw/zinc/21/61/30/494216130.db2.gz FOVUKDJWIWTWAC-UHFFFAOYSA-N 1 0 374.466 3.200 50 0 FGAARO Cc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)n1C ZINC000012317773 494222896 /nfs/dbraw/zinc/22/28/96/494222896.db2.gz OCSOAWFDYMHMOV-NRFANRHFSA-N 1 0 356.489 3.356 50 0 FGAARO C[NH+](C)CCNc1nc2sc3c(c2c2nc(-c4ccco4)nn21)CCC3 ZINC000012323339 494224568 /nfs/dbraw/zinc/22/45/68/494224568.db2.gz LLGWRZLAJARQEI-UHFFFAOYSA-N 1 0 368.466 3.061 50 0 FGAARO CN(C(=O)Cc1ccsc1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012432054 494232505 /nfs/dbraw/zinc/23/25/05/494232505.db2.gz ATOGCQHPZJIBCK-IBGZPJMESA-N 1 0 354.519 3.381 50 0 FGAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cc(C)n[nH]3)C2)cc1 ZINC000012434435 494232543 /nfs/dbraw/zinc/23/25/43/494232543.db2.gz JJFOOMMTHJFAHG-LJQANCHMSA-N 1 0 356.514 3.113 50 0 FGAARO CSCCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012439960 494233310 /nfs/dbraw/zinc/23/33/10/494233310.db2.gz LAHQSZNTMNFGMH-LJQANCHMSA-N 1 0 368.587 3.402 50 0 FGAARO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2ccco2)CC1 ZINC000012532995 494237989 /nfs/dbraw/zinc/23/79/89/494237989.db2.gz BOQCOZPTFVBEPJ-UHFFFAOYSA-N 1 0 364.243 3.046 50 0 FGAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)C[NH2+]C1CCCCCC1 ZINC000012718916 494252028 /nfs/dbraw/zinc/25/20/28/494252028.db2.gz WTHUAYHNQQDCPE-HXUWFJFHSA-N 1 0 366.452 3.131 50 0 FGAARO O=C(C[N@H+]1CCC[C@H](CO)C1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012915146 494269215 /nfs/dbraw/zinc/26/92/15/494269215.db2.gz YYNYQCMXJMIUEY-KKSFZXQISA-N 1 0 372.896 3.250 50 0 FGAARO Cc1cccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)CCN4)CC2)c1C ZINC000013366749 494286085 /nfs/dbraw/zinc/28/60/85/494286085.db2.gz NQLXBKPUYIWSKM-QFIPXVFZSA-N 1 0 351.494 3.127 50 0 FGAARO O[C@@H](C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)CCN2 ZINC000013366740 494286589 /nfs/dbraw/zinc/28/65/89/494286589.db2.gz GYOSPZIBEHKMMB-FQEVSTJZSA-N 1 0 357.885 3.164 50 0 FGAARO C[C@@H](NS(=O)(=O)c1ccccc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000089620825 494332249 /nfs/dbraw/zinc/33/22/49/494332249.db2.gz CPDXBMASLJVZBP-PBHICJAKSA-N 1 0 350.509 3.252 50 0 FGAARO CN(CCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000044916841 494388239 /nfs/dbraw/zinc/38/82/39/494388239.db2.gz SAJYUOGFQCERBR-UHFFFAOYSA-N 1 0 369.484 3.290 50 0 FGAARO O=C(NCCCc1nc2ccccc2s1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079020482 494394330 /nfs/dbraw/zinc/39/43/30/494394330.db2.gz WIDUSLGQBLRRIO-GDBMZVCRSA-N 1 0 358.511 3.155 50 0 FGAARO Cc1nc2ccc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)cc2nc1C ZINC000045076672 494395924 /nfs/dbraw/zinc/39/59/24/494395924.db2.gz OPJOTGJPOSQLSR-UHFFFAOYSA-N 1 0 360.461 3.035 50 0 FGAARO C[NH+](C)CCN(C(=O)Nc1cccc(N2CCOC2=O)c1)C1CCCCC1 ZINC000079093492 494403028 /nfs/dbraw/zinc/40/30/28/494403028.db2.gz MUAMBMKYNYDAGG-UHFFFAOYSA-N 1 0 374.485 3.371 50 0 FGAARO Fc1ccc(-c2n[nH]cc2CN2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000020784209 494481115 /nfs/dbraw/zinc/48/11/15/494481115.db2.gz ICFGALUXVKMYBL-UHFFFAOYSA-N 1 0 355.392 3.072 50 0 FGAARO CCOC(=O)c1c(NC(C)=O)sc2c1CC[N@H+](CCc1ccccc1)C2 ZINC000022145978 494515776 /nfs/dbraw/zinc/51/57/76/494515776.db2.gz NVQTYUFFIWSTMK-UHFFFAOYSA-N 1 0 372.490 3.484 50 0 FGAARO COc1ccc(C[C@@H](C)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022917013 494541440 /nfs/dbraw/zinc/54/14/40/494541440.db2.gz JTCXSBZBWDGRRF-GOSISDBHSA-N 1 0 354.494 3.453 50 0 FGAARO COc1ccccc1OCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127996 494551173 /nfs/dbraw/zinc/55/11/73/494551173.db2.gz CSIRXAKNJDPNRW-UHFFFAOYSA-N 1 0 368.477 3.102 50 0 FGAARO Cc1ccc(C2(O)CC[NH+](Cc3ccccc3Cn3cccn3)CC2)nc1 ZINC000067515416 494556034 /nfs/dbraw/zinc/55/60/34/494556034.db2.gz WAVJULVVXFYZFD-UHFFFAOYSA-N 1 0 362.477 3.118 50 0 FGAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(-c2cc[nH]n2)cc1 ZINC000091391397 494592394 /nfs/dbraw/zinc/59/23/94/494592394.db2.gz DODDHEUHGLNANP-INIZCTEOSA-N 1 0 360.461 3.253 50 0 FGAARO CN(C)c1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000091434246 494598006 /nfs/dbraw/zinc/59/80/06/494598006.db2.gz YZFSLUSLBZTXCG-PZJWPPBQSA-N 1 0 368.500 3.383 50 0 FGAARO COc1ccc(F)c(F)c1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091691415 494648682 /nfs/dbraw/zinc/64/86/82/494648682.db2.gz OJJHFHBMFLYTMW-HUUCEWRRSA-N 1 0 364.436 3.310 50 0 FGAARO Cc1cc(N2CCCN(C(=O)c3ccccc3OC(F)F)CC2)cc[nH+]1 ZINC000091725630 494656865 /nfs/dbraw/zinc/65/68/65/494656865.db2.gz YXSPPQAJSILPNU-UHFFFAOYSA-N 1 0 361.392 3.344 50 0 FGAARO COc1ccc2c(C)c(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)oc2c1 ZINC000091745238 494665030 /nfs/dbraw/zinc/66/50/30/494665030.db2.gz ULWWZLGRECJQFS-KRWDZBQOSA-N 1 0 372.465 3.123 50 0 FGAARO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1C[NH+](C)C ZINC000024809902 494668100 /nfs/dbraw/zinc/66/81/00/494668100.db2.gz FQTUUFPIVSBBTJ-LJQANCHMSA-N 1 0 371.456 3.280 50 0 FGAARO c1cn(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3ccncc3)C4)cc2)cn1 ZINC000091768772 494673481 /nfs/dbraw/zinc/67/34/81/494673481.db2.gz FRPKXHNCMBLNGV-JTHBVZDNSA-N 1 0 373.504 3.364 50 0 FGAARO Cc1ccccc1[C@H](CNC(=O)c1cc(-c2ccc(O)cc2)n[nH]1)[NH+](C)C ZINC000091780084 494677798 /nfs/dbraw/zinc/67/77/98/494677798.db2.gz KOHLNNDQQBICPW-FQEVSTJZSA-N 1 0 364.449 3.123 50 0 FGAARO CCOc1ccc2c(C)c(C(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)oc2c1OCC ZINC000091817821 494688594 /nfs/dbraw/zinc/68/85/94/494688594.db2.gz NSEBETZFAKCJTB-CVEARBPZSA-N 1 0 372.465 3.348 50 0 FGAARO COc1ccc([C@@H](CNC(=O)NCc2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000025046610 494693812 /nfs/dbraw/zinc/69/38/12/494693812.db2.gz OEZSBLOJYQHAGQ-HXUWFJFHSA-N 1 0 371.456 3.471 50 0 FGAARO Nc1nc(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC000091876886 494711475 /nfs/dbraw/zinc/71/14/75/494711475.db2.gz SEPKDJOFYPJSFU-UHFFFAOYSA-N 1 0 358.511 3.074 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(OC(F)F)cc1)c1ccsc1 ZINC000025330814 494723575 /nfs/dbraw/zinc/72/35/75/494723575.db2.gz MTVANZBHHVVKBL-HNNXBMFYSA-N 1 0 354.422 3.311 50 0 FGAARO COc1cc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)cc2c1OCCO2 ZINC000025362485 494729154 /nfs/dbraw/zinc/72/91/54/494729154.db2.gz IXHKGDLQQXBRLV-LJQANCHMSA-N 1 0 368.477 3.393 50 0 FGAARO NC(=O)c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4ccccc4)C3)cc(=O)c2c1 ZINC000091943045 494729421 /nfs/dbraw/zinc/72/94/21/494729421.db2.gz JIEXCQHFQWWRFS-KRWDZBQOSA-N 1 0 361.445 3.419 50 0 FGAARO Cn1ccnc1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000091943282 494730010 /nfs/dbraw/zinc/73/00/10/494730010.db2.gz CLNKTTNGLSIEGV-HXUWFJFHSA-N 1 0 366.509 3.181 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)CSc1cc(F)ccc1F)c1ccccc1 ZINC000025402745 494734295 /nfs/dbraw/zinc/73/42/95/494734295.db2.gz AHCRQMPDNREAHE-INIZCTEOSA-N 1 0 350.434 3.476 50 0 FGAARO Cc1cccnc1C[NH+]1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000092001585 494748001 /nfs/dbraw/zinc/74/80/01/494748001.db2.gz VRSWJZSVLWSZFN-UHFFFAOYSA-N 1 0 364.493 3.190 50 0 FGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2nnc(C4CC4)o2)C3)cc1 ZINC000092037013 494764129 /nfs/dbraw/zinc/76/41/29/494764129.db2.gz AHQUFWXOJUGYBM-FUHWJXTLSA-N 1 0 368.481 3.052 50 0 FGAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(OCCc3ccccc3)cc1)C2 ZINC000092061954 494771338 /nfs/dbraw/zinc/77/13/38/494771338.db2.gz QTDGJUKOJTYOFM-PZJWPPBQSA-N 1 0 364.489 3.474 50 0 FGAARO CC1(C)CC(NC(=O)CCc2nc(-c3cccs3)no2)CC(C)(C)[NH2+]1 ZINC000025876461 494785743 /nfs/dbraw/zinc/78/57/43/494785743.db2.gz GFQGFBRKDMWXJK-UHFFFAOYSA-N 1 0 362.499 3.156 50 0 FGAARO COc1ccc(CCC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC000027675085 494880686 /nfs/dbraw/zinc/88/06/86/494880686.db2.gz IEYAADFEROBPDV-OAHLLOKOSA-N 1 0 362.495 3.117 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)CCc1nc(-c2ccccc2)no1)c1cccs1 ZINC000027677522 494881036 /nfs/dbraw/zinc/88/10/36/494881036.db2.gz VIFYYXLBUNJSFO-OAHLLOKOSA-N 1 0 370.478 3.150 50 0 FGAARO COc1ccccc1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027741329 494883046 /nfs/dbraw/zinc/88/30/46/494883046.db2.gz KFXZPCVOQJLDIG-INIZCTEOSA-N 1 0 374.506 3.479 50 0 FGAARO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000093454638 494892855 /nfs/dbraw/zinc/89/28/55/494892855.db2.gz FXXHXHMAZXOYRX-LJQANCHMSA-N 1 0 355.482 3.079 50 0 FGAARO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000093454637 494892892 /nfs/dbraw/zinc/89/28/92/494892892.db2.gz FXXHXHMAZXOYRX-IBGZPJMESA-N 1 0 355.482 3.079 50 0 FGAARO Cc1ccc2c(c1)c(CNC(=O)c1cccc([C@@H]3CCC[NH2+]C3)c1)nn2C ZINC000095355754 494962202 /nfs/dbraw/zinc/96/22/02/494962202.db2.gz XAZAJNILIRGDTR-GOSISDBHSA-N 1 0 362.477 3.279 50 0 FGAARO Cn1c2ccccc2nc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095379339 494970157 /nfs/dbraw/zinc/97/01/57/494970157.db2.gz GXFAVUNXRHYOET-RBUKOAKNSA-N 1 0 361.493 3.065 50 0 FGAARO COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]cnc2C)C3)cc1C ZINC000095386254 494972063 /nfs/dbraw/zinc/97/20/63/494972063.db2.gz VXQCCVUUYVNMPT-AZUAARDMSA-N 1 0 368.525 3.440 50 0 FGAARO Cc1cc2cc(C(=O)N3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)oc2cc1C ZINC000095431331 494975248 /nfs/dbraw/zinc/97/52/48/494975248.db2.gz SHTAENPYTOJUQC-YQVWRLOYSA-N 1 0 356.466 3.373 50 0 FGAARO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CN(C)[C@@H]3CCSC3)cc2)C1 ZINC000095441941 494975309 /nfs/dbraw/zinc/97/53/09/494975309.db2.gz QHDYRFHFWPRRTR-QFBILLFUSA-N 1 0 361.555 3.294 50 0 FGAARO COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccn2c[nH+]cc2c1 ZINC000095454582 494975460 /nfs/dbraw/zinc/97/54/60/494975460.db2.gz IQADJRCXIMHJJL-NSHDSACASA-N 1 0 373.796 3.180 50 0 FGAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3nsc4ccccc43)CC2)C1 ZINC000095508474 494983313 /nfs/dbraw/zinc/98/33/13/494983313.db2.gz CPUWZBBFIKXCNS-MRXNPFEDSA-N 1 0 372.538 3.065 50 0 FGAARO Cc1ccc2c(c1)c(CNC(=O)[C@@H]1CCC[N@H+](Cc3ccco3)C1)nn2C ZINC000095524086 494987650 /nfs/dbraw/zinc/98/76/50/494987650.db2.gz CQWSOOFRCRQKCQ-MRXNPFEDSA-N 1 0 366.465 3.003 50 0 FGAARO [NH3+][C@H]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC000095971563 494992877 /nfs/dbraw/zinc/99/28/77/494992877.db2.gz ZGADNWUZUIXTCP-ZDUSSCGKSA-N 1 0 351.381 3.321 50 0 FGAARO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)CCc2ccccc2)c(C)s1 ZINC000095972156 494993184 /nfs/dbraw/zinc/99/31/84/494993184.db2.gz KHNZIOCSKYLFAR-AWEZNQCLSA-N 1 0 366.552 3.254 50 0 FGAARO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000095979851 494993301 /nfs/dbraw/zinc/99/33/01/494993301.db2.gz FCTUUMNJKNKEOA-UXHICEINSA-N 1 0 374.500 3.205 50 0 FGAARO O[C@@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(F)(F)F ZINC000096035793 494997778 /nfs/dbraw/zinc/99/77/78/494997778.db2.gz OBBIMRNLHDSSMY-SFHVURJKSA-N 1 0 364.411 3.317 50 0 FGAARO O=S(=O)(/C=C\c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096726797 495013943 /nfs/dbraw/zinc/01/39/43/495013943.db2.gz VRUBSJKOOBYROC-SSZFMOIBSA-N 1 0 356.491 3.241 50 0 FGAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000097814827 495045166 /nfs/dbraw/zinc/04/51/66/495045166.db2.gz BRHZUOUCWCQMHB-HXUWFJFHSA-N 1 0 352.478 3.392 50 0 FGAARO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000114400070 495369704 /nfs/dbraw/zinc/36/97/04/495369704.db2.gz CQXRPHLGQOZSFK-LBPRGKRZSA-N 1 0 367.280 3.203 50 0 FGAARO C[C@H](NC(=O)c1ccc(Br)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000170597969 495531587 /nfs/dbraw/zinc/53/15/87/495531587.db2.gz DWSHOCHWVBEFDM-BLLLJJGKSA-N 1 0 362.271 3.265 50 0 FGAARO CC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000173494545 495557277 /nfs/dbraw/zinc/55/72/77/495557277.db2.gz IMMYCELPHUMOKK-KRWDZBQOSA-N 1 0 370.501 3.181 50 0 FGAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1OCc1cccnc1 ZINC000152303862 496110913 /nfs/dbraw/zinc/11/09/13/496110913.db2.gz LONIBTLKBBFRED-RTBURBONSA-N 1 0 356.466 3.310 50 0 FGAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2oc(C)nc2C)CC1 ZINC000172729211 496405781 /nfs/dbraw/zinc/40/57/81/496405781.db2.gz BJDLRAYSDMDYIN-CYBMUJFWSA-N 1 0 374.460 3.063 50 0 FGAARO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(N3CCCS3(=O)=O)c1)CC2 ZINC000185295013 496725765 /nfs/dbraw/zinc/72/57/65/496725765.db2.gz MWTHUNHGQBRRKD-HXUWFJFHSA-N 1 0 372.490 3.012 50 0 FGAARO O=C(C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000247754296 496912602 /nfs/dbraw/zinc/91/26/02/496912602.db2.gz CNLQBTAGVYGBNO-AQNXPRMDSA-N 1 0 360.473 3.003 50 0 FGAARO COc1cc2c(cc1C[N@@H+]1CC[C@@H](n3nc(C)cc3C)C1)OCCCO2 ZINC000214951370 496977080 /nfs/dbraw/zinc/97/70/80/496977080.db2.gz BOSUEHLPRYPYFK-QGZVFWFLSA-N 1 0 357.454 3.117 50 0 FGAARO c1cn(CCOc2ccc(CN3CCCC[C@H]3C[NH+]3CCCC3)cc2)cn1 ZINC000215068866 496977453 /nfs/dbraw/zinc/97/74/53/496977453.db2.gz BMEGZLJRSQAOST-NRFANRHFSA-N 1 0 368.525 3.412 50 0 FGAARO Cn1nc(C[N@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c2c1cccc2Cl ZINC000215058526 496977476 /nfs/dbraw/zinc/97/74/76/496977476.db2.gz KSPZPNSBRQSATR-AWEZNQCLSA-N 1 0 374.916 3.450 50 0 FGAARO COc1cc(CNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)cc(OC)c1 ZINC000215513427 496980444 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CCN(CCC[NH+](C)C)C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000252498705 497307082 /nfs/dbraw/zinc/30/70/82/497307082.db2.gz RIXVVJSIOBGFTQ-UHFFFAOYSA-N 1 0 356.470 3.466 50 0 FGAARO COCc1nc(NCCc2csc(C(C)C)n2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000252522872 497310681 /nfs/dbraw/zinc/31/06/81/497310681.db2.gz BILAPJZZVIUASS-BETUJISGSA-N 1 0 361.515 3.062 50 0 FGAARO Cc1cc(NCc2cc(CN(C)C)on2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000253430524 497334124 /nfs/dbraw/zinc/33/41/24/497334124.db2.gz MGGWOPSSFWNLEI-UHFFFAOYSA-N 1 0 371.529 3.187 50 0 FGAARO Cc1c[nH]c(C[N@H+](CCOc2ccccc2)C[C@H]2CCCO2)c(C)c1=O ZINC000253537223 497336962 /nfs/dbraw/zinc/33/69/62/497336962.db2.gz DQSXKQLCPPOWJE-LJQANCHMSA-N 1 0 356.466 3.464 50 0 FGAARO COCCN(C)c1ccc(C[NH2+][C@H]2CCCOc3c(F)cccc32)cn1 ZINC000242389281 497354343 /nfs/dbraw/zinc/35/43/43/497354343.db2.gz ZVVFMKIBYDLYPV-SFHVURJKSA-N 1 0 359.445 3.307 50 0 FGAARO c1coc(-c2nc(CN3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)no2)c1 ZINC000244707940 497367817 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Cn1nccc1[C@H]1CCC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000332743811 498780082 /nfs/dbraw/zinc/78/00/82/498780082.db2.gz SLFCDCPZPCBAIC-AZUAARDMSA-N 1 0 366.509 3.183 50 0 FGAARO O=C(C[C@@H]1CCCc2ccccc21)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333465966 499011087 /nfs/dbraw/zinc/01/10/87/499011087.db2.gz HLFZZZGHLDYARC-KRWDZBQOSA-N 1 0 364.493 3.160 50 0 FGAARO CC(C)(CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1=CCCC1 ZINC000333607170 499041340 /nfs/dbraw/zinc/04/13/40/499041340.db2.gz DNGQIBVSQNXCCS-RBUKOAKNSA-N 1 0 363.546 3.190 50 0 FGAARO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CC12CCCCC2 ZINC000409420710 499596324 /nfs/dbraw/zinc/59/63/24/499596324.db2.gz NMJQHIQYBPDGCM-HNNXBMFYSA-N 1 0 370.946 3.439 50 0 FGAARO CCc1cnc(-c2ccc(C(=O)N3CC([NH+]4CCCCC4)C3)cc2)nc1 ZINC000426484390 500278247 /nfs/dbraw/zinc/27/82/47/500278247.db2.gz DGVSLOSATQXIGI-UHFFFAOYSA-N 1 0 350.466 3.016 50 0 FGAARO O=C(NC[C@@]1(O)CC[NH2+]C1)c1cccc(-c2ccc(Cl)cc2Cl)c1 ZINC000426487954 500278697 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C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc(-c3ccc(=O)[nH]c3)c2)C1 ZINC000426690233 500307049 /nfs/dbraw/zinc/30/70/49/500307049.db2.gz FWFXWDLRENJJPR-OAHLLOKOSA-N 1 0 351.450 3.153 50 0 FGAARO C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000426690718 500307182 /nfs/dbraw/zinc/30/71/82/500307182.db2.gz RGCJGGFBNWDOGR-FQEVSTJZSA-N 1 0 353.466 3.111 50 0 FGAARO CCCC[C@H]1C=CCN1C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000534658195 504206224 /nfs/dbraw/zinc/20/62/24/504206224.db2.gz OEGRCPGRGGJLIR-IBGZPJMESA-N 1 0 357.498 3.497 50 0 FGAARO CSCc1nc(CNC(=O)N2CC[NH+](CC3CCCC3)CC2)cs1 ZINC000584898616 507561760 /nfs/dbraw/zinc/56/17/60/507561760.db2.gz UTWASVIWNQQFBK-UHFFFAOYSA-N 1 0 368.572 3.024 50 0 FGAARO CN(Cc1cc2ccccc2s1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000584900374 507564125 /nfs/dbraw/zinc/56/41/25/507564125.db2.gz AMUMETPRWLTKNQ-UHFFFAOYSA-N 1 0 374.554 3.069 50 0 FGAARO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(n3cc([C@@H](C)O)nn3)CC2)c1C ZINC000020211988 518232485 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CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccc(C(=O)OC)cc2)C1 ZINC000020906453 521422070 /nfs/dbraw/zinc/42/20/70/521422070.db2.gz CQRBGGQIPMCDIO-OAQYLSRUSA-N 1 0 367.493 3.355 50 0 FGAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccc(C(=O)OC)cc2)C1 ZINC000020906455 521425322 /nfs/dbraw/zinc/42/53/22/521425322.db2.gz CQRBGGQIPMCDIO-NRFANRHFSA-N 1 0 367.493 3.355 50 0 FGAARO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1 ZINC000269109462 522042820 /nfs/dbraw/zinc/04/28/20/522042820.db2.gz NCGCXZNEGJJDHO-AEGPPILISA-N 1 0 356.388 3.147 50 0 FGAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1conc1-c1ccccc1 ZINC000082120963 523148594 /nfs/dbraw/zinc/14/85/94/523148594.db2.gz ZBQRVXMJAMTIAX-LJQANCHMSA-N 1 0 361.445 3.470 50 0 FGAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000091365079 523205511 /nfs/dbraw/zinc/20/55/11/523205511.db2.gz DYDARTQEDLTIDW-UHFFFAOYSA-N 1 0 368.460 3.062 50 0 FGAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C)c(F)c1)CC2 ZINC000091547377 523294158 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CCOCC(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000299776027 210021264 /nfs/dbraw/zinc/02/12/64/210021264.db2.gz NDNCRRMOBONGDX-UHFFFAOYSA-N 1 0 352.478 3.471 50 0 FGAARO Cc1ccc2[nH]c(CNC(=O)c3ccc(C[NH+]4CCCC4)o3)nc2c1C ZINC000299774792 210020950 /nfs/dbraw/zinc/02/09/50/210020950.db2.gz HWOOMFIRFSNKCZ-UHFFFAOYSA-N 1 0 352.438 3.299 50 0 FGAARO COc1ccc(-c2cccc(C(=O)N3CCC[C@@H](C[NH3+])C3)c2)cc1OC ZINC000299772388 210018663 /nfs/dbraw/zinc/01/86/63/210018663.db2.gz VQFFFSHIUMFEJS-HNNXBMFYSA-N 1 0 354.450 3.182 50 0 FGAARO O=C(NC[C@H](c1ccccc1F)[NH+]1CCCC1)Nc1ccc2n[nH]nc2c1 ZINC000299757435 210009199 /nfs/dbraw/zinc/00/91/99/210009199.db2.gz JNHHCDSSFOCFPS-GOSISDBHSA-N 1 0 368.416 3.056 50 0 FGAARO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012768350 220027490 /nfs/dbraw/zinc/02/74/90/220027490.db2.gz PBXDHAQYYXHVRR-PKOBYXMFSA-N 1 0 365.477 3.042 50 0 FGAARO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccc2c1CCCC2 ZINC000058433983 212011078 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Cc1cc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000019367332 220253971 /nfs/dbraw/zinc/25/39/71/220253971.db2.gz LOJQGJUWZYJAAE-LJQANCHMSA-N 1 0 374.912 3.206 50 0 FGAARO Cc1nc(CNC(=O)C2([NH+]3CCCCC3)Cc3ccccc3C2)cs1 ZINC000012200117 211398932 /nfs/dbraw/zinc/39/89/32/211398932.db2.gz HQUCLRRGMPULQY-UHFFFAOYSA-N 1 0 355.507 3.091 50 0 FGAARO Clc1ccccc1COc1ccccc1C[NH2+]CCN1CCOCC1 ZINC000023468429 211389167 /nfs/dbraw/zinc/38/91/67/211389167.db2.gz YCVGTXHMHSCTSA-UHFFFAOYSA-N 1 0 360.885 3.341 50 0 FGAARO OCC[C@@H]1CN(Cc2ccc3cc(F)ccc3n2)CC[N@@H+]1C1CCCC1 ZINC000023361288 211383191 /nfs/dbraw/zinc/38/31/91/211383191.db2.gz XFRDXLJHQSOANF-HXUWFJFHSA-N 1 0 357.473 3.185 50 0 FGAARO Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000022694273 211360991 /nfs/dbraw/zinc/36/09/91/211360991.db2.gz YCUKIKUBBWGDGX-QGZVFWFLSA-N 1 0 373.522 3.205 50 0 FGAARO CC(=O)c1cccc(CN2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)c1 ZINC000022918485 211369716 /nfs/dbraw/zinc/36/97/16/211369716.db2.gz 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O=C1C[C@H]([NH2+]CC2CCCCC2)C(=O)N1c1ccc(Br)cc1 ZINC000020271791 211273092 /nfs/dbraw/zinc/27/30/92/211273092.db2.gz MOXCRWLAQDTOHH-HNNXBMFYSA-N 1 0 365.271 3.251 50 0 FGAARO COc1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)c(OC)c1OC ZINC000020166123 211269498 /nfs/dbraw/zinc/26/94/98/211269498.db2.gz UGELKYVGOVQDAY-UHFFFAOYSA-N 1 0 356.466 3.425 50 0 FGAARO Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000019902220 211262124 /nfs/dbraw/zinc/26/21/24/211262124.db2.gz NPYVEWIXRQWELX-FQEVSTJZSA-N 1 0 371.912 3.367 50 0 FGAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000019641707 211242573 /nfs/dbraw/zinc/24/25/73/211242573.db2.gz PPUBLUYZKZAXTH-JOCHJYFZSA-N 1 0 368.521 3.197 50 0 FGAARO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000019210275 211205345 /nfs/dbraw/zinc/20/53/45/211205345.db2.gz JVMAVZVXDQDLSA-UHFFFAOYSA-N 1 0 370.493 3.339 50 0 FGAARO Cc1ccc2onc(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000015675107 211135690 /nfs/dbraw/zinc/13/56/90/211135690.db2.gz 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O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](CCOc2ccccc2)CC1 ZINC000014137827 211076433 /nfs/dbraw/zinc/07/64/33/211076433.db2.gz INPXJJSOIOPACZ-UHFFFAOYSA-N 1 0 367.445 3.432 50 0 FGAARO O=C(CN1c2cccc3cccc(c23)C1=O)NCCC[NH+]1CCCCCC1 ZINC000013668405 211047053 /nfs/dbraw/zinc/04/70/53/211047053.db2.gz KOQPDRLDSDQAEO-UHFFFAOYSA-N 1 0 365.477 3.182 50 0 FGAARO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c2c(n1)onc2-c1ccccc1 ZINC000013641713 211045630 /nfs/dbraw/zinc/04/56/30/211045630.db2.gz ZXAHATSKZPFXGR-MRXNPFEDSA-N 1 0 362.433 3.118 50 0 FGAARO C[NH+](C)CCCNc1ccc2nnc(-c3ccc(Cl)cc3Cl)n2n1 ZINC000013624759 211044005 /nfs/dbraw/zinc/04/40/05/211044005.db2.gz NXBAIBOEMZAPTH-UHFFFAOYSA-N 1 0 365.268 3.462 50 0 FGAARO O=C(Cn1nc(-c2ccccc2)c2ccccc21)NCCC[NH+]1CCCC1 ZINC000013369577 211032967 /nfs/dbraw/zinc/03/29/67/211032967.db2.gz KTQHGXXMNOVHQR-UHFFFAOYSA-N 1 0 362.477 3.305 50 0 FGAARO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1 ZINC000013038377 211022632 /nfs/dbraw/zinc/02/26/32/211022632.db2.gz 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CCOC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3ccco3)c2)CC1 ZINC000001035991 210305068 /nfs/dbraw/zinc/30/50/68/210305068.db2.gz NBGRDEPVEXXQDL-UHFFFAOYSA-N 1 0 356.422 3.307 50 0 FGAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccco3)C[C@H]21 ZINC000000934813 210292850 /nfs/dbraw/zinc/29/28/50/210292850.db2.gz ARBGSNQKEIDQHH-MRXNPFEDSA-N 1 0 353.422 3.254 50 0 FGAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000000818256 210276092 /nfs/dbraw/zinc/27/60/92/210276092.db2.gz KVRKNKLYMODQOL-UHFFFAOYSA-N 1 0 367.434 3.164 50 0 FGAARO Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000022031527 220373951 /nfs/dbraw/zinc/37/39/51/220373951.db2.gz QNPPFTBVPHBACD-NQIIRXRSSA-N 1 0 366.509 3.494 50 0 FGAARO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000023421643 220427055 /nfs/dbraw/zinc/42/70/55/220427055.db2.gz UCLITUWNQWJHGX-UHFFFAOYSA-N 1 0 354.450 3.098 50 0 FGAARO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C ZINC000031075499 220631787 /nfs/dbraw/zinc/63/17/87/220631787.db2.gz 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O=C(NCCC1=CSC2=NCCCN12)c1c[nH]nc1C1CCCCC1 ZINC000102592167 222301177 /nfs/dbraw/zinc/30/11/77/222301177.db2.gz ANVMIFACFIKDQS-UHFFFAOYSA-N 1 0 359.499 3.227 50 0 FGAARO Cc1cc(C)cc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c1 ZINC000104513469 222359397 /nfs/dbraw/zinc/35/93/97/222359397.db2.gz PZGDWAJYJDCPOS-JOCHJYFZSA-N 1 0 353.510 3.076 50 0 FGAARO COc1cccc(CN2CC[N@H+](CCCc3ccccc3)C[C@H]2CCO)c1 ZINC000104553374 222359478 /nfs/dbraw/zinc/35/94/78/222359478.db2.gz XOEMINDTHQURRW-JOCHJYFZSA-N 1 0 368.521 3.197 50 0 FGAARO O[C@H](C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000106106967 222382530 /nfs/dbraw/zinc/38/25/30/222382530.db2.gz DWUHCRQQVZZVFY-DOTOQJQBSA-N 1 0 361.463 3.191 50 0 FGAARO Cc1ccc(C[N@@H+]2CCN(c3nc4ccccc4o3)C[C@H]2CCO)cc1 ZINC000107008108 222390444 /nfs/dbraw/zinc/39/04/44/222390444.db2.gz BJFGTIRFMXQYOF-GOSISDBHSA-N 1 0 351.450 3.209 50 0 FGAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000004680484 263335715 /nfs/dbraw/zinc/33/57/15/263335715.db2.gz 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CCOc1ccc(C[N@H+](CC)Cc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000033069013 494040918 /nfs/dbraw/zinc/04/09/18/494040918.db2.gz VJMMUGVYTYHLHY-UHFFFAOYSA-N 1 0 357.479 3.485 50 0 FGAARO O=S(=O)(c1ccc(F)cc1F)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000033312302 494057821 /nfs/dbraw/zinc/05/78/21/494057821.db2.gz IDBHSZGKELBNFS-UHFFFAOYSA-N 1 0 372.481 3.242 50 0 FGAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2ccsc2)cc1 ZINC000007987990 494058806 /nfs/dbraw/zinc/05/88/06/494058806.db2.gz URAJDKOEWVMEOZ-UHFFFAOYSA-N 1 0 359.495 3.001 50 0 FGAARO CC(C)CNC(=O)c1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000034684085 494066425 /nfs/dbraw/zinc/06/64/25/494066425.db2.gz XNCTZNFAHMYJNO-UHFFFAOYSA-N 1 0 365.521 3.390 50 0 FGAARO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000034871984 494068714 /nfs/dbraw/zinc/06/87/14/494068714.db2.gz RELWBCKQMJLETQ-KSSFIOAISA-N 1 0 361.413 3.125 50 0 FGAARO COc1cccc(C[NH+]2CCC3(CC2)Nc2cccc(Cl)c2C(=O)N3)c1 ZINC000034812254 494068741 /nfs/dbraw/zinc/06/87/41/494068741.db2.gz 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FGAARO Cc1ncsc1CCC(=O)NC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000082156400 527485054 /nfs/dbraw/zinc/48/50/54/527485054.db2.gz SXGRQPUQDRMUQY-KRWDZBQOSA-N 1 0 358.511 3.123 50 0 FGAARO C[NH+](C)Cc1csc(CN2CCc3nc(-c4cccnc4)[nH]c3C2)c1 ZINC000216107364 568105967 /nfs/dbraw/zinc/10/59/67/568105967.db2.gz TXTCTJZLXFJZNP-UHFFFAOYSA-N 1 0 353.495 3.153 50 0 FGAARO CC[NH+]1CCN(Cc2cc(Cl)ccc2OCCCn2ccnc2)CC1 ZINC000220113677 568322578 /nfs/dbraw/zinc/32/25/78/568322578.db2.gz MOIIYYPAMFBDPF-UHFFFAOYSA-N 1 0 362.905 3.143 50 0 FGAARO C[NH+](C)CCOc1ccc(NC(=O)c2cc(-c3ccsc3)[nH]n2)cc1 ZINC000409414293 570759313 /nfs/dbraw/zinc/75/93/13/570759313.db2.gz KISWZRFTJYSONH-UHFFFAOYSA-N 1 0 356.451 3.331 50 0 FGAARO O=C(CCc1cccc(Cl)c1Cl)NCCCC[NH+]1CCOCC1 ZINC000048284284 570942842 /nfs/dbraw/zinc/94/28/42/570942842.db2.gz DMVYDAQMWMXZCG-UHFFFAOYSA-N 1 0 359.297 3.155 50 0 FGAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1SC[C@@H]1CCCO1 ZINC000048303919 570943391 /nfs/dbraw/zinc/94/33/91/570943391.db2.gz SKHUGYPNQCIOKK-WBVHZDCISA-N 1 0 360.523 3.172 50 0 FGAARO C[NH+](C)C1(CNC(=O)COCc2nc3ccccc3s2)CCCCC1 ZINC000048303134 570945101 /nfs/dbraw/zinc/94/51/01/570945101.db2.gz ADJDMYSVGITWMC-UHFFFAOYSA-N 1 0 361.511 3.194 50 0 FGAARO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1 ZINC000048355219 570951049 /nfs/dbraw/zinc/95/10/49/570951049.db2.gz WFDOVKKHNOSKDF-UHFFFAOYSA-N 1 0 350.821 3.350 50 0 FGAARO COc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000048363462 570951392 /nfs/dbraw/zinc/95/13/92/570951392.db2.gz AVIKMSQDUICIRO-UHFFFAOYSA-N 1 0 359.445 3.108 50 0 FGAARO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000048369238 570953500 /nfs/dbraw/zinc/95/35/00/570953500.db2.gz KMOHGGNHYHXIRC-UHFFFAOYSA-N 1 0 357.523 3.076 50 0 FGAARO Cc1cccc(-n2cc(CN(C)C(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)cn2)c1 ZINC000670474145 571058649 /nfs/dbraw/zinc/05/86/49/571058649.db2.gz QQBJSVJMLIDDAT-GOSISDBHSA-N 1 0 369.513 3.195 50 0 FGAARO CCCS(=O)(=O)NC1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000084758716 571099050 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CC1CC[NH+](CC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC000032951883 695748690 /nfs/dbraw/zinc/74/86/90/695748690.db2.gz KJGXJRURPQXDPP-UHFFFAOYSA-N 1 0 370.946 3.473 50 0 FGAARO COC[C@H]1CN(C(C)=O)CC12CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000169782752 705351695 /nfs/dbraw/zinc/35/16/95/705351695.db2.gz HIFUTGADHQFZIL-MRXNPFEDSA-N 1 0 368.880 3.186 50 0 FGAARO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000658032867 719746585 /nfs/dbraw/zinc/74/65/85/719746585.db2.gz YJTWMILMVMBDJB-GDBMZVCRSA-N 1 0 368.315 3.210 50 0 FGAARO O=C(/C=C/c1cc(CO)cs1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000952984785 762539988 /nfs/dbraw/zinc/53/99/88/762539988.db2.gz NEFXNNCVVIHJBB-BQYQJAHWSA-N 1 0 356.491 3.166 50 0 FGAARO CCC(CC)(C[NH3+])NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170048325 222593071 /nfs/dbraw/zinc/59/30/71/222593071.db2.gz UMUXJYQKOVOXQI-UHFFFAOYSA-N 1 0 356.348 3.003 50 0 FGAARO CCc1ccc([C@@H](CNC(=O)/C=C\c2ccc3c(c2)OCO3)[NH+](C)C)cc1 ZINC000096405017 210238515 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COCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000299778595 210023908 /nfs/dbraw/zinc/02/39/08/210023908.db2.gz KDISCRAATDKBGD-MRXNPFEDSA-N 1 0 361.486 3.098 50 0 FGAARO CCN1CCC([N@@H+]2CC[C@H]3[C@H](CCC(=O)N3CC3CCCCC3)C2)CC1 ZINC000299776326 210021128 /nfs/dbraw/zinc/02/11/28/210021128.db2.gz AFFRRSODGVCCFY-CTNGQTDRSA-N 1 0 361.574 3.364 50 0 FGAARO Cc1ccc2ccccc2c1NC(=O)NCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000299762325 210012655 /nfs/dbraw/zinc/01/26/55/210012655.db2.gz UGZZWVWYEPOEOK-QGZVFWFLSA-N 1 0 355.482 3.364 50 0 FGAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cccc(-c2ncccn2)c1 ZINC000299755355 210008375 /nfs/dbraw/zinc/00/83/75/210008375.db2.gz APWRXCWYDIMNQQ-NRFANRHFSA-N 1 0 372.472 3.363 50 0 FGAARO CCc1n[nH]c2c1CN(C(=O)[C@H]1C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]13)CC2 ZINC000299758628 210011854 /nfs/dbraw/zinc/01/18/54/210011854.db2.gz LJVSMKJWIKBIIL-DQLDELGASA-N 1 0 364.493 3.082 50 0 FGAARO C[N@@H+]1C[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(OCc3ccccn3)cc1)C2 ZINC000299757573 210009146 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COc1cc(C[N@H+](C)C[C@H](O)c2ccccc2)cc(Br)c1O ZINC000023280726 211381410 /nfs/dbraw/zinc/38/14/10/211381410.db2.gz XXGXCAMQTBBBDQ-HNNXBMFYSA-N 1 0 366.255 3.329 50 0 FGAARO C[NH+](C)CCN1COc2ccc3cc(-c4cccs4)c(=O)oc3c2C1 ZINC000022936379 211370962 /nfs/dbraw/zinc/37/09/62/211370962.db2.gz UPTMJJAKQZTSKQ-UHFFFAOYSA-N 1 0 356.447 3.235 50 0 FGAARO CN(C)[C@@H](C[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000022029767 211335499 /nfs/dbraw/zinc/33/54/99/211335499.db2.gz UPTWOBLBFUQCEV-RTWAWAEBSA-N 1 0 351.494 3.073 50 0 FGAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Nc3ccc4c(c3)OCO4)C2)cc1 ZINC000021175443 211309967 /nfs/dbraw/zinc/30/99/67/211309967.db2.gz KXNQWRXUEIQCEK-QGZVFWFLSA-N 1 0 367.449 3.367 50 0 FGAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)CN1C(C)C ZINC000020294254 211272025 /nfs/dbraw/zinc/27/20/25/211272025.db2.gz VCKZHVCCQFOXIE-CTNGQTDRSA-N 1 0 353.510 3.305 50 0 FGAARO CC(C)c1ccc([C@H]2SCC(=O)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000019914006 211261842 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COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2[C@@H](C)c2ccco2)cc1 ZINC000014878668 211103678 /nfs/dbraw/zinc/10/36/78/211103678.db2.gz WKTRRYVBRIVFIY-YJBOKZPZSA-N 1 0 370.449 3.298 50 0 FGAARO Cc1cc(C)n(CCCN2C(=O)CC[C@H]2CC[NH2+]Cc2cccc(F)c2)n1 ZINC000015007653 211113086 /nfs/dbraw/zinc/11/30/86/211113086.db2.gz NZEBLXHSENPTLN-FQEVSTJZSA-N 1 0 372.488 3.200 50 0 FGAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]C2CC2)C4)cc1 ZINC000014987705 211111490 /nfs/dbraw/zinc/11/14/90/211111490.db2.gz FMFHIECNMBQDEW-MRXNPFEDSA-N 1 0 365.502 3.424 50 0 FGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cscn4)C3)C2)c1 ZINC000014954428 211105513 /nfs/dbraw/zinc/10/55/13/211105513.db2.gz ISRWOZWRJNNEIY-HXUWFJFHSA-N 1 0 371.506 3.280 50 0 FGAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]C1CCCC1)C2 ZINC000014748901 211100459 /nfs/dbraw/zinc/10/04/59/211100459.db2.gz SWYIUAPTHSODMH-QGZVFWFLSA-N 1 0 358.530 3.309 50 0 FGAARO Cc1csc2nc(C[N@H+](C)Cc3ccc(OC(F)F)cc3)cc(=O)n12 ZINC000014111251 211072853 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O[C@@H](C[NH2+]C[C@@H]1CCCO1)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000012421978 210954958 /nfs/dbraw/zinc/95/49/58/210954958.db2.gz CZJWKADZGDYKMD-GJZGRUSLSA-N 1 0 362.901 3.303 50 0 FGAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)CC[N@@H+]1CCCC(C)(C)C1 ZINC000002282744 210388309 /nfs/dbraw/zinc/38/83/09/210388309.db2.gz YTMHZGZNUZTVMT-UHFFFAOYSA-N 1 0 357.454 3.405 50 0 FGAARO COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000002259411 210386399 /nfs/dbraw/zinc/38/63/99/210386399.db2.gz IYVJBLBTEBZHFI-UHFFFAOYSA-N 1 0 361.417 3.154 50 0 FGAARO CC[NH+](CC)CCNc1nc(SC)nc2sc3c(c21)CCN(C)C3 ZINC000002411600 210397095 /nfs/dbraw/zinc/39/70/95/210397095.db2.gz YWNFILIWSMKDLW-UHFFFAOYSA-N 1 0 365.572 3.155 50 0 FGAARO OCC[C@@H]1CN(Cc2ccc3ncccc3c2)CC[N@@H+]1C1CCCCC1 ZINC000019811752 220297869 /nfs/dbraw/zinc/29/78/69/220297869.db2.gz DIHRBLGWSAHONV-OAQYLSRUSA-N 1 0 353.510 3.436 50 0 FGAARO CC(C)(C)NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010334154 210357612 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367.493 3.175 50 0 FGAARO COc1cccc(-c2c[nH]nc2C2CCN(c3cc(C)[nH+]c(N)n3)CC2)c1 ZINC000067934415 221306305 /nfs/dbraw/zinc/30/63/05/221306305.db2.gz MVNCCERJLKKHGG-UHFFFAOYSA-N 1 0 364.453 3.150 50 0 FGAARO Cc1cc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)oc1C ZINC000071747352 221359662 /nfs/dbraw/zinc/35/96/62/221359662.db2.gz PVNYXRVIZVGKFQ-IBGZPJMESA-N 1 0 373.541 3.195 50 0 FGAARO CCc1cc(CN2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH]n1 ZINC000071763072 221368988 /nfs/dbraw/zinc/36/89/88/221368988.db2.gz DGHWZXYAXZAPCB-BHDDXSALSA-N 1 0 366.509 3.043 50 0 FGAARO Cc1cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)cnc1-n1cnnc1 ZINC000071749381 221360431 /nfs/dbraw/zinc/36/04/31/221360431.db2.gz RBZSTVVCCMDHHA-IBGZPJMESA-N 1 0 363.465 3.418 50 0 FGAARO Cc1cc(C)c(-n2cccn2)c(C[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC000071662529 221354114 /nfs/dbraw/zinc/35/41/14/221354114.db2.gz QEBCWFIZTDUIEZ-UHFFFAOYSA-N 1 0 352.482 3.076 50 0 FGAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)cc3)CC2)C1)N1CCCC1 ZINC000071730450 221356288 /nfs/dbraw/zinc/35/62/88/221356288.db2.gz AMADGOGUNQASHS-IBGZPJMESA-N 1 0 373.516 3.125 50 0 FGAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](CCC(=O)N3CCCC3)C2)cc1 ZINC000071764802 221371702 /nfs/dbraw/zinc/37/17/02/221371702.db2.gz JCCRDSQSTVCAIV-KRWDZBQOSA-N 1 0 360.523 3.316 50 0 FGAARO CC[C@@H]1CN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)CC[N@@H+]1C ZINC000071765378 221372688 /nfs/dbraw/zinc/37/26/88/221372688.db2.gz NRXXBEKQESVMFD-OAHLLOKOSA-N 1 0 359.470 3.193 50 0 FGAARO Cc1cnc(-n2cnnc2)c(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)c1 ZINC000071771592 221374302 /nfs/dbraw/zinc/37/43/02/221374302.db2.gz OAOJNEIDHZMGDQ-GOSISDBHSA-N 1 0 363.465 3.418 50 0 FGAARO COCCCN1C[C@@]2(CCCN(c3cc[nH+]c4ccccc43)C2)CCC1=O ZINC000077353666 132181993 /nfs/dbraw/zinc/18/19/93/132181993.db2.gz MNVMODXOJLZPHF-QFIPXVFZSA-N 1 0 367.493 3.480 50 0 FGAARO Cc1nnc([C@H](C)[NH2+]C2CCN(c3ncnc4sc(C)c(C)c43)CC2)[nH]1 ZINC000095368585 132208669 /nfs/dbraw/zinc/20/86/69/132208669.db2.gz WONUEUPWDMZTFK-NSHDSACASA-N 1 0 371.514 3.054 50 0 FGAARO CCCc1nc(C)cc(N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)n1 ZINC000095507349 132213027 /nfs/dbraw/zinc/21/30/27/132213027.db2.gz YWBLDMQXFPFHBN-LJQANCHMSA-N 1 0 354.498 3.030 50 0 FGAARO Cc1cc(C)nc(N2CCC([NH2+]Cc3cc(-c4ccco4)on3)CC2)n1 ZINC000095521956 132214354 /nfs/dbraw/zinc/21/43/54/132214354.db2.gz SRKUZROVMOAMRB-UHFFFAOYSA-N 1 0 353.426 3.100 50 0 FGAARO OCC[NH+]1CCN(c2nc3ccccc3c(-c3ccc(Cl)cc3)n2)CC1 ZINC000096012500 132216927 /nfs/dbraw/zinc/21/69/27/132216927.db2.gz NUTRMFQJBSTCKT-UHFFFAOYSA-N 1 0 368.868 3.065 50 0 FGAARO [NH3+][C@H]1C[C@H](c2cc(N3CCC(Oc4cccc(Cl)c4)CC3)ncn2)C1 ZINC000243893636 132289394 /nfs/dbraw/zinc/28/93/94/132289394.db2.gz ASXBYSVBNKWWQT-CTYIDZIISA-N 1 0 358.873 3.383 50 0 FGAARO COc1ccccc1N1CC[NH+](CCC(=O)Nc2cc(C)ccc2C)CC1 ZINC000002765303 132383999 /nfs/dbraw/zinc/38/39/99/132383999.db2.gz KHUBTVNYEOAZNJ-UHFFFAOYSA-N 1 0 367.493 3.463 50 0 FGAARO Cc1cccc(N2CC[NH+](C[C@H](O)COCc3cccs3)CC2)c1C ZINC000003217574 132384853 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Cc1nc2c(c(N3CC=C(c4ccc(F)cc4)CC3)n1)CC[N@H+](C)CC2 ZINC000072480018 136149676 /nfs/dbraw/zinc/14/96/76/136149676.db2.gz CQPUWCGZISJADI-UHFFFAOYSA-N 1 0 352.457 3.248 50 0 FGAARO Cc1ncc(C(=O)N(C)CC2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000077538638 221642894 /nfs/dbraw/zinc/64/28/94/221642894.db2.gz KRAVCANUFXFMIN-UHFFFAOYSA-N 1 0 352.482 3.078 50 0 FGAARO Fc1cccc(C2(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)CCOCC2)c1 ZINC000082087517 221697689 /nfs/dbraw/zinc/69/76/89/221697689.db2.gz JYQSARPMCIFBMJ-LJQANCHMSA-N 1 0 363.473 3.192 50 0 FGAARO Cc1ccc2c(c1)c(CNC(=O)c1cccc([C@H]3CCC[NH2+]C3)c1)nn2C ZINC000095355755 221855623 /nfs/dbraw/zinc/85/56/23/221855623.db2.gz XAZAJNILIRGDTR-SFHVURJKSA-N 1 0 362.477 3.279 50 0 FGAARO c1ccc2oc(N3CCC([NH2+]CCCNc4cccnc4)CC3)nc2c1 ZINC000095360293 221861029 /nfs/dbraw/zinc/86/10/29/221861029.db2.gz KLCOERZEHLAKPP-UHFFFAOYSA-N 1 0 351.454 3.283 50 0 FGAARO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000095391372 221897291 /nfs/dbraw/zinc/89/72/91/221897291.db2.gz CAHGXIACQNWBPK-SFHVURJKSA-N 1 0 366.440 3.355 50 0 FGAARO COC(=O)c1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000096136071 222039093 /nfs/dbraw/zinc/03/90/93/222039093.db2.gz PQZQFYCDQCJUKE-CYBMUJFWSA-N 1 0 353.850 3.075 50 0 FGAARO COc1ccccc1-n1nc(CC2CC[NH+](C)CC2)nc1[C@]1(C)CCCO1 ZINC000096150757 222052468 /nfs/dbraw/zinc/05/24/68/222052468.db2.gz IRGAOTOLNBWYQY-NRFANRHFSA-N 1 0 370.497 3.186 50 0 FGAARO CCSc1ccc(NC(=O)N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)cc1 ZINC000096151096 222053473 /nfs/dbraw/zinc/05/34/73/222053473.db2.gz OLVRMPZZXSUDDZ-KRWDZBQOSA-N 1 0 363.527 3.109 50 0 FGAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Nc2ncccn2)cc1 ZINC000096344151 222116422 /nfs/dbraw/zinc/11/64/22/222116422.db2.gz TVEXUVNFDHYFOY-IEBWSBKVSA-N 1 0 365.481 3.215 50 0 FGAARO CN(C)c1ccc(CCNC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)cc1 ZINC000097475639 222184289 /nfs/dbraw/zinc/18/42/89/222184289.db2.gz QRUGOZVCBMNKJD-FQEVSTJZSA-N 1 0 351.494 3.192 50 0 FGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@H]2CCOc3ccccc3C2)CC1 ZINC000097594936 222195540 /nfs/dbraw/zinc/19/55/40/222195540.db2.gz PIAUVEGVRDYSNJ-IBGZPJMESA-N 1 0 365.477 3.070 50 0 FGAARO CC(=O)c1cc(CC(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)cs1 ZINC000097594799 222195727 /nfs/dbraw/zinc/19/57/27/222195727.db2.gz NRAQKFWMSQQCBG-UHFFFAOYSA-N 1 0 371.506 3.011 50 0 FGAARO O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1ccc(C[NH+]2CCCC2)o1 ZINC000097637975 222200963 /nfs/dbraw/zinc/20/09/63/222200963.db2.gz UTURSANHESVUBR-HNNXBMFYSA-N 1 0 353.344 3.304 50 0 FGAARO Cc1nc(C)c(CC(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)s1 ZINC000097729821 222208462 /nfs/dbraw/zinc/20/84/62/222208462.db2.gz NVALEROLFVBMHS-KRWDZBQOSA-N 1 0 358.511 3.041 50 0 FGAARO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC000426534108 263623066 /nfs/dbraw/zinc/62/30/66/263623066.db2.gz UQDDVVWVERCANY-GOSISDBHSA-N 1 0 366.505 3.159 50 0 FGAARO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)cc3o2)[NH+](C)C)cc1 ZINC000028291281 493784015 /nfs/dbraw/zinc/78/40/15/493784015.db2.gz DGKPKNCTAGQNRM-GOSISDBHSA-N 1 0 364.445 3.443 50 0 FGAARO C[C@@H](CCn1cccn1)[NH2+]C1CCN(c2ccc(-n3cccn3)cc2)CC1 ZINC000048234123 493806670 /nfs/dbraw/zinc/80/66/70/493806670.db2.gz FWJNVEXDAGQIHS-SFHVURJKSA-N 1 0 364.497 3.106 50 0 FGAARO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1cc(-c2ccccc2)on1 ZINC000076017674 493809333 /nfs/dbraw/zinc/80/93/33/493809333.db2.gz FHJCWJLRAGBQKA-BRWVUGGUSA-N 1 0 355.482 3.367 50 0 FGAARO O=C(NCCCC[NH+]1CCOCC1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000048285831 493812434 /nfs/dbraw/zinc/81/24/34/493812434.db2.gz MFGRMICGRGTBPK-UHFFFAOYSA-N 1 0 370.280 3.317 50 0 FGAARO OCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000002845460 493822372 /nfs/dbraw/zinc/82/23/72/493822372.db2.gz OFLWHLLKURAVLY-UHFFFAOYSA-N 1 0 354.219 3.249 50 0 FGAARO CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000058198464 493831933 /nfs/dbraw/zinc/83/19/33/493831933.db2.gz JPZHNZGJQXJSIS-OAHLLOKOSA-N 1 0 369.465 3.076 50 0 FGAARO CC(=O)Nc1ccc(/C=C/C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000058210405 493833848 /nfs/dbraw/zinc/83/38/48/493833848.db2.gz ZQQZKCOKIXWQNT-JXMROGBWSA-N 1 0 355.482 3.135 50 0 FGAARO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)COc2ccc(F)cc2F)C1 ZINC000058210676 493834138 /nfs/dbraw/zinc/83/41/38/493834138.db2.gz JKBYJRHVQBYFRT-OKILXGFUSA-N 1 0 354.441 3.216 50 0 FGAARO O=C(CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1)NC1CCCC1 ZINC000058210076 493834202 /nfs/dbraw/zinc/83/42/02/493834202.db2.gz XABVXGIJEFWMQT-UHFFFAOYSA-N 1 0 364.436 3.308 50 0 FGAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)CC1 ZINC000058218604 493834624 /nfs/dbraw/zinc/83/46/24/493834624.db2.gz HGUSBYMDLQGSTG-QGZVFWFLSA-N 1 0 368.477 3.377 50 0 FGAARO C[NH+](C)Cc1ccc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000058222837 493835439 /nfs/dbraw/zinc/83/54/39/493835439.db2.gz XXIQRUFJRBKLHN-UHFFFAOYSA-N 1 0 371.525 3.049 50 0 FGAARO CCOc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc(C(C)=O)c2)cc1 ZINC000003432506 493844540 /nfs/dbraw/zinc/84/45/40/493844540.db2.gz PRZZGDLGMNVGMZ-LJQANCHMSA-N 1 0 357.450 3.160 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000003441922 493845262 /nfs/dbraw/zinc/84/52/62/493845262.db2.gz IAYJSMKPFXGSCP-JTQLQIEISA-N 1 0 370.824 3.121 50 0 FGAARO Cc1coc2cc3oc(=O)c(CCC(=O)NCCC[NH+](C)C)c(C)c3cc12 ZINC000004085042 493864111 /nfs/dbraw/zinc/86/41/11/493864111.db2.gz MXUHYJHDZBXSJJ-UHFFFAOYSA-N 1 0 370.449 3.157 50 0 FGAARO CCC[NH+](CCC)CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000004189113 493868203 /nfs/dbraw/zinc/86/82/03/493868203.db2.gz YLEDQNKIQBPUAU-UHFFFAOYSA-N 1 0 352.500 3.474 50 0 FGAARO Nc1cccc(F)c1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000004382284 493875515 /nfs/dbraw/zinc/87/55/15/493875515.db2.gz ZNRHAGPLXCUZLK-SNVBAGLBSA-N 1 0 359.228 3.244 50 0 FGAARO O=C1CN2C(=[NH+]c3ccc(Br)cc3[C@@H]2c2ccccc2)CCN1 ZINC000004422159 493876525 /nfs/dbraw/zinc/87/65/25/493876525.db2.gz BJKUVAVJXSIUGS-SFHVURJKSA-N 1 0 370.250 3.404 50 0 FGAARO CNc1ccc(OC)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000005586624 493936002 /nfs/dbraw/zinc/93/60/02/493936002.db2.gz SCVGNCAZSKGECY-UHFFFAOYSA-N 1 0 353.466 3.131 50 0 FGAARO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000005575876 493936516 /nfs/dbraw/zinc/93/65/16/493936516.db2.gz KXNUNOJAHHZROA-STQMWFEESA-N 1 0 373.453 3.022 50 0 FGAARO O=C(c1cc(Br)ccc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000069321647 493955787 /nfs/dbraw/zinc/95/57/87/493955787.db2.gz HWJFLFXOONUTNR-GFCCVEGCSA-N 1 0 357.679 3.413 50 0 FGAARO O=C1CC[C@@]2(CCC[N@H+](Cc3cccc4ccccc43)C2)CN1CCCO ZINC000082096662 493978781 /nfs/dbraw/zinc/97/87/81/493978781.db2.gz MKCSPZOLHFLUFN-HSZRJFAPSA-N 1 0 366.505 3.427 50 0 FGAARO Cc1cc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)c2cccc(C)c2n1 ZINC000082108463 493978893 /nfs/dbraw/zinc/97/88/93/493978893.db2.gz QSNUWNWVDYQSST-UHFFFAOYSA-N 1 0 360.461 3.131 50 0 FGAARO Cc1ccc2c(cnn2C(=O)CCCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000006768621 493979104 /nfs/dbraw/zinc/97/91/04/493979104.db2.gz PHHSDWCKNNCKHP-UHFFFAOYSA-N 1 0 370.497 3.147 50 0 FGAARO CCCC[N@H+](C)CCCNC(=O)C1=C(C)C(=O)OC12CCCCCC2 ZINC000006933724 493988539 /nfs/dbraw/zinc/98/85/39/493988539.db2.gz IAIVYKYVMPNSPC-UHFFFAOYSA-N 1 0 350.503 3.191 50 0 FGAARO CC1=C(C(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)C2(CCCCC2)OC1=O ZINC000006933754 493988591 /nfs/dbraw/zinc/98/85/91/493988591.db2.gz FIHFNGFLRKANJB-HOTGVXAUSA-N 1 0 362.514 3.332 50 0 FGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Br)cc2F)N1 ZINC000007127139 494003024 /nfs/dbraw/zinc/00/30/24/494003024.db2.gz JBSGRKHHFAHGQY-ZDUSSCGKSA-N 1 0 360.190 3.034 50 0 FGAARO COc1ccc(COC[C@@H](O)C[NH+](CC(C)C)CC(C)C)cc1OC ZINC000032682333 494004914 /nfs/dbraw/zinc/00/49/14/494004914.db2.gz BXVOMELEHIOSRW-SFHVURJKSA-N 1 0 353.503 3.195 50 0 FGAARO O=C(Cc1noc2ccccc12)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032761838 494013535 /nfs/dbraw/zinc/01/35/35/494013535.db2.gz OJUSDTZFOHCMID-INIZCTEOSA-N 1 0 355.463 3.385 50 0 FGAARO Cc1nn(C)c(C)c1/C=C/C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761507 494014039 /nfs/dbraw/zinc/01/40/39/494014039.db2.gz VVQGGQQOQVIZEJ-KBOKABMXSA-N 1 0 358.511 3.065 50 0 FGAARO C[NH+](C)C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccccc1 ZINC000032781302 494016228 /nfs/dbraw/zinc/01/62/28/494016228.db2.gz MTNGCAGTWPVAOY-HNNXBMFYSA-N 1 0 370.478 3.150 50 0 FGAARO O=C(CC[NH+]1CCC2(CC1)OCCO2)Nc1cc(Cl)ccc1Cl ZINC000032825302 494020284 /nfs/dbraw/zinc/02/02/84/494020284.db2.gz JFZLTBZYJZFGIK-UHFFFAOYSA-N 1 0 359.253 3.161 50 0 FGAARO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+]1CCCC[C@H]1C ZINC000032856003 494022057 /nfs/dbraw/zinc/02/20/57/494022057.db2.gz IAFXFMWNWBHRAN-MRXNPFEDSA-N 1 0 354.498 3.039 50 0 FGAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cnc3ccccc3n2)CC1 ZINC000032914583 494027291 /nfs/dbraw/zinc/02/72/91/494027291.db2.gz UONXZLYKPIDIPO-UHFFFAOYSA-N 1 0 360.461 3.286 50 0 FGAARO CCOC(=O)c1sc2ncnc(NC[C@@H](C)[NH+](CC)CC)c2c1C ZINC000032916210 494027399 /nfs/dbraw/zinc/02/73/99/494027399.db2.gz QFXWPNGOIGKZAU-LLVKDONJSA-N 1 0 350.488 3.319 50 0 FGAARO C[NH+]1CCN(c2ccccc2NC(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000007735514 494039363 /nfs/dbraw/zinc/03/93/63/494039363.db2.gz UNWKYGXZEPFASH-UHFFFAOYSA-N 1 0 362.477 3.491 50 0 FGAARO CC1CC[NH+](CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000007728769 494039730 /nfs/dbraw/zinc/03/97/30/494039730.db2.gz UBBSDTLYKNTBEJ-UHFFFAOYSA-N 1 0 365.326 3.394 50 0 FGAARO Cc1ccc([C@@H]2CN(C(=O)c3ccccc3-n3cccn3)C[C@H]2[NH+](C)C)cc1 ZINC000077286249 494048700 /nfs/dbraw/zinc/04/87/00/494048700.db2.gz ZRIAHOASRBDOIZ-RBBKRZOGSA-N 1 0 374.488 3.351 50 0 FGAARO Cc1cc(N2CCCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)cc[nH+]1 ZINC000077303182 494051979 /nfs/dbraw/zinc/05/19/79/494051979.db2.gz VZNMNMHZLDNFNG-UHFFFAOYSA-N 1 0 369.856 3.044 50 0 FGAARO COc1ccc(CN2CCC[N@H+](C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000034870247 494068979 /nfs/dbraw/zinc/06/89/79/494068979.db2.gz HTLHRVFLUWTVTG-NRFANRHFSA-N 1 0 358.457 3.076 50 0 FGAARO C[N@@H+]1CC[C@H]2CN(Cc3c(-c4ccc(F)cc4)nc4ccccn43)C[C@H]21 ZINC000077386374 494073015 /nfs/dbraw/zinc/07/30/15/494073015.db2.gz NRULYTSWPNKSKK-FUHWJXTLSA-N 1 0 350.441 3.276 50 0 FGAARO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)c1 ZINC000077437764 494083140 /nfs/dbraw/zinc/08/31/40/494083140.db2.gz UFPVMHZIOQLZTK-LJQANCHMSA-N 1 0 367.541 3.407 50 0 FGAARO O=c1c2ccccc2ncn1CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000084587439 494085521 /nfs/dbraw/zinc/08/55/21/494085521.db2.gz HDNYKYNRRBQXHR-UHFFFAOYSA-N 1 0 373.460 3.152 50 0 FGAARO CCc1ccc(C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@H](NC(=O)C3CC3)C2)nc1 ZINC000077454287 494085893 /nfs/dbraw/zinc/08/58/93/494085893.db2.gz YMJJKSMPXUHDPJ-FCHUYYIVSA-N 1 0 363.505 3.447 50 0 FGAARO COc1cc(C[N@H+](C[C@H](O)COCc2ccccc2)C2CC2)cc(OC)c1 ZINC000036095100 494086276 /nfs/dbraw/zinc/08/62/76/494086276.db2.gz VWXGOCPCSUMLFL-FQEVSTJZSA-N 1 0 371.477 3.246 50 0 FGAARO COCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095447 494086705 /nfs/dbraw/zinc/08/67/05/494086705.db2.gz DXTVPXGFTCDVEY-SFHVURJKSA-N 1 0 367.848 3.367 50 0 FGAARO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000008428767 494090557 /nfs/dbraw/zinc/09/05/57/494090557.db2.gz IGXCQQDIYZWPOD-VQIMIIECSA-N 1 0 357.475 3.456 50 0 FGAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008747327 494103666 /nfs/dbraw/zinc/10/36/66/494103666.db2.gz SFVLFHUPBLBCDD-GOSISDBHSA-N 1 0 373.497 3.373 50 0 FGAARO O=C(c1cccc(-n2cccn2)c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000077522219 494103863 /nfs/dbraw/zinc/10/38/63/494103863.db2.gz HOBWTGMUEZNFBR-UHFFFAOYSA-N 1 0 366.490 3.282 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000008777728 494104637 /nfs/dbraw/zinc/10/46/37/494104637.db2.gz OFUZJDJOTGMFNR-LJQANCHMSA-N 1 0 351.450 3.068 50 0 FGAARO O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000077556019 494113915 /nfs/dbraw/zinc/11/39/15/494113915.db2.gz BTXPUXISVCKSOJ-QGZVFWFLSA-N 1 0 360.395 3.267 50 0 FGAARO O=C(Cc1cn2ccsc2n1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000009115646 494114949 /nfs/dbraw/zinc/11/49/49/494114949.db2.gz VBXSISKACBQQSH-UHFFFAOYSA-N 1 0 360.527 3.243 50 0 FGAARO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000038754966 494117570 /nfs/dbraw/zinc/11/75/70/494117570.db2.gz CLMZDIGKOLTERF-UHFFFAOYSA-N 1 0 366.458 3.477 50 0 FGAARO CCn1nnc2cc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)ccc21 ZINC000009216767 494118338 /nfs/dbraw/zinc/11/83/38/494118338.db2.gz FSYBMIVGWXNECG-UHFFFAOYSA-N 1 0 369.513 3.370 50 0 FGAARO O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038853664 494118448 /nfs/dbraw/zinc/11/84/48/494118448.db2.gz VXMDKCVXSDJXRD-QGZVFWFLSA-N 1 0 352.434 3.309 50 0 FGAARO Cc1cc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc(C)c1O ZINC000039538128 494122186 /nfs/dbraw/zinc/12/21/86/494122186.db2.gz UWPKAFSVDQCXCB-OAQYLSRUSA-N 1 0 372.484 3.217 50 0 FGAARO Cc1nn(CC(C)C)c(C)c1CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000053391532 494124893 /nfs/dbraw/zinc/12/48/93/494124893.db2.gz QGBKZAJGNMTBSA-INIZCTEOSA-N 1 0 362.562 3.325 50 0 FGAARO CC1CC[NH+](CCCNc2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000009503154 494126332 /nfs/dbraw/zinc/12/63/32/494126332.db2.gz VZTUXCKFFNQDBJ-UHFFFAOYSA-N 1 0 360.889 3.420 50 0 FGAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(OC)c1 ZINC000040046935 494128009 /nfs/dbraw/zinc/12/80/09/494128009.db2.gz WAZKJGANSCOLHD-CTNGQTDRSA-N 1 0 368.477 3.198 50 0 FGAARO C[N@@H+](Cc1ccc(C(=O)NCC(F)(F)F)cc1)C[C@H](O)c1ccccc1 ZINC000040062602 494128204 /nfs/dbraw/zinc/12/82/04/494128204.db2.gz YYXVGIMBNDNDTI-KRWDZBQOSA-N 1 0 366.383 3.144 50 0 FGAARO Cn1nc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)nc1N1CCCCC1 ZINC000072127468 494129001 /nfs/dbraw/zinc/12/90/01/494129001.db2.gz SQOLPLSVNMOAFN-SFHVURJKSA-N 1 0 369.513 3.253 50 0 FGAARO CC(C)c1nccc(C[N@@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC000072124195 494129234 /nfs/dbraw/zinc/12/92/34/494129234.db2.gz JHMYGNHXDGRIMJ-NRFANRHFSA-N 1 0 350.466 3.110 50 0 FGAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1COc2ccccc2O1)c1ccsc1 ZINC000040089500 494130558 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CCCc1oncc1C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000072423603 494170402 /nfs/dbraw/zinc/17/04/02/494170402.db2.gz WNEJZIJJQVFEIF-UHFFFAOYSA-N 1 0 355.482 3.406 50 0 FGAARO CCCN1C(=O)CC[C@H]2C[N@@H+](Cc3coc4ccccc4c3=O)CC[C@H]21 ZINC000072430592 494173146 /nfs/dbraw/zinc/17/31/46/494173146.db2.gz PZFADYRXTMSISW-MAUKXSAKSA-N 1 0 354.450 3.016 50 0 FGAARO CCCc1cc(NC2CC[NH+](Cc3ccccn3)CC2)n2nccc2n1 ZINC000072454772 494177088 /nfs/dbraw/zinc/17/70/88/494177088.db2.gz DJRXHOBTZFYTMR-UHFFFAOYSA-N 1 0 350.470 3.153 50 0 FGAARO C[C@H](C1CCN(Cc2c(Cl)cncc2Cl)CC1)[NH+]1CCOCC1 ZINC000072469002 494179346 /nfs/dbraw/zinc/17/93/46/494179346.db2.gz MDFINBBIIGVGHZ-CYBMUJFWSA-N 1 0 358.313 3.321 50 0 FGAARO COc1ccc2c(C)c(C(=O)NCc3c(C)ncc4c3CC[NH2+]C4)oc2c1 ZINC000072476560 494181691 /nfs/dbraw/zinc/18/16/91/494181691.db2.gz CHPJIABGSGARGL-UHFFFAOYSA-N 1 0 365.433 3.029 50 0 FGAARO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1OC ZINC000011766755 494190381 /nfs/dbraw/zinc/19/03/81/494190381.db2.gz 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3.455 50 0 FGAARO O=C(c1cscn1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012303281 494221886 /nfs/dbraw/zinc/22/18/86/494221886.db2.gz FNDXXQWKOJHCBE-IBGZPJMESA-N 1 0 359.470 3.411 50 0 FGAARO CN(C(=O)Cc1ccccn1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012319408 494222758 /nfs/dbraw/zinc/22/27/58/494222758.db2.gz DLVVDULHLHRLCC-NRFANRHFSA-N 1 0 351.494 3.180 50 0 FGAARO COc1ccccc1O[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012380636 494228025 /nfs/dbraw/zinc/22/80/25/494228025.db2.gz FTWFUVHXIJLZLS-QGZVFWFLSA-N 1 0 368.477 3.243 50 0 FGAARO OCCOc1ccccc1C[N@@H+]1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000012386166 494229207 /nfs/dbraw/zinc/22/92/07/494229207.db2.gz CVPLBVZHHWSMAH-JOCHJYFZSA-N 1 0 373.468 3.014 50 0 FGAARO CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)C[NH2+]Cc3ccco3)ccc21 ZINC000012421946 494230923 /nfs/dbraw/zinc/23/09/23/494230923.db2.gz VDBQJTUXPDSCJV-INIZCTEOSA-N 1 0 370.449 3.295 50 0 FGAARO O=C1N(Cc2cccnc2)CCC[C@@]12CC[N@@H+](Cc1ccccc1F)C2 ZINC000012436288 494232861 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O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[NH2+]C1CCCCCC1 ZINC000012718917 494252319 /nfs/dbraw/zinc/25/23/19/494252319.db2.gz WTHUAYHNQQDCPE-FQEVSTJZSA-N 1 0 366.452 3.131 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)ccc1O)c1ccccc1 ZINC000012776817 494257177 /nfs/dbraw/zinc/25/71/77/494257177.db2.gz JBJFSGWJRZXOOK-HNNXBMFYSA-N 1 0 363.255 3.187 50 0 FGAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1C ZINC000012836325 494265162 /nfs/dbraw/zinc/26/51/62/494265162.db2.gz UWMJOLMIBWDKAP-FQEVSTJZSA-N 1 0 369.553 3.258 50 0 FGAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(F)cc1 ZINC000043486028 494299812 /nfs/dbraw/zinc/29/98/12/494299812.db2.gz OTLGTGQTFJKEOE-IEBWSBKVSA-N 1 0 360.454 3.131 50 0 FGAARO C[NH+](C)C1(CNC(=O)Cc2ccc(-c3ccccc3)cc2)CCOCC1 ZINC000073133100 494326591 /nfs/dbraw/zinc/32/65/91/494326591.db2.gz YOVGZERVGOZRGV-UHFFFAOYSA-N 1 0 352.478 3.123 50 0 FGAARO CC(C)CN(Cc1ccsc1)C(=O)CC[C@H](C)[NH+]1CCN(C)CC1 ZINC000055326974 494328104 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O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1[nH]nc2ccccc21 ZINC000045962875 494480268 /nfs/dbraw/zinc/48/02/68/494480268.db2.gz VZUQGWLNEJGUEM-SFHVURJKSA-N 1 0 362.477 3.390 50 0 FGAARO C[C@@H]1C[C@@H](NC(=O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000079559073 494481832 /nfs/dbraw/zinc/48/18/32/494481832.db2.gz XASJHNRRHAATNU-APWZRJJASA-N 1 0 356.441 3.374 50 0 FGAARO C[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000056330807 494487026 /nfs/dbraw/zinc/48/70/26/494487026.db2.gz RLHRCNNLKZGFFS-HNNXBMFYSA-N 1 0 356.445 3.246 50 0 FGAARO CCn1nc(C)c(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000067381097 494527589 /nfs/dbraw/zinc/52/75/89/494527589.db2.gz RKXIUTCHRJCYTO-FQEVSTJZSA-N 1 0 369.513 3.156 50 0 FGAARO COc1ccc(C[C@H](C)N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000022586615 494527991 /nfs/dbraw/zinc/52/79/91/494527991.db2.gz AUBXBUBULXKDTC-SFHVURJKSA-N 1 0 354.494 3.453 50 0 FGAARO COc1cccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1OC ZINC000023128049 494551774 /nfs/dbraw/zinc/55/17/74/494551774.db2.gz GNEXIDZAJNTWKW-UHFFFAOYSA-N 1 0 374.506 3.407 50 0 FGAARO Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023127711 494551802 /nfs/dbraw/zinc/55/18/02/494551802.db2.gz DHSLDCOAITVRKG-UHFFFAOYSA-N 1 0 364.536 3.247 50 0 FGAARO c1[nH]nc2ncnc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000023135381 494552307 /nfs/dbraw/zinc/55/23/07/494552307.db2.gz FXDFJZVNEBJKBI-UHFFFAOYSA-N 1 0 370.460 3.265 50 0 FGAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000023248968 494558689 /nfs/dbraw/zinc/55/86/89/494558689.db2.gz HPPWISXUPJCZTI-WMZOPIPTSA-N 1 0 371.481 3.432 50 0 FGAARO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(c2cc(-c3ccco3)n[nH]2)CC1 ZINC000067540276 494562004 /nfs/dbraw/zinc/56/20/04/494562004.db2.gz WWSYDVAUPWYGCM-CQSZACIVSA-N 1 0 356.470 3.296 50 0 FGAARO Cc1[nH+]c(CN2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)c2ccccn12 ZINC000091326719 494583188 /nfs/dbraw/zinc/58/31/88/494583188.db2.gz BOGRSIYJNNENMV-FUHWJXTLSA-N 1 0 367.522 3.196 50 0 FGAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1cc(-c3ccccc3)no1)CC2 ZINC000091381168 494591505 /nfs/dbraw/zinc/59/15/05/494591505.db2.gz ONYZFXGOZUXKSG-UHFFFAOYSA-N 1 0 363.465 3.044 50 0 FGAARO C[C@H]1CCC[N@H+](CCn2cc(-c3cnc(-c4cccs4)nc3)nn2)C1 ZINC000091663204 494636400 /nfs/dbraw/zinc/63/64/00/494636400.db2.gz XYZXWPNPZJNNGD-AWEZNQCLSA-N 1 0 354.483 3.196 50 0 FGAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000024856436 494671812 /nfs/dbraw/zinc/67/18/12/494671812.db2.gz WHNZFKFSKLCYCU-IAGOWNOFSA-N 1 0 357.498 3.127 50 0 FGAARO O=C(COc1ccc(F)cc1Cl)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000024929172 494681040 /nfs/dbraw/zinc/68/10/40/494681040.db2.gz KASZMEFOSUVHNF-MRXNPFEDSA-N 1 0 362.832 3.249 50 0 FGAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000091808275 494686575 /nfs/dbraw/zinc/68/65/75/494686575.db2.gz JASBHPRLVPADFV-UHFFFAOYSA-N 1 0 368.880 3.330 50 0 FGAARO C[NH+]1CCC(N(Cc2ccccc2F)C(=O)NCc2ccncc2)CC1 ZINC000075104834 494689287 /nfs/dbraw/zinc/68/92/87/494689287.db2.gz IIVRMGJCAJGANF-UHFFFAOYSA-N 1 0 356.445 3.027 50 0 FGAARO Cn1ccc2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C(=O)N4CC3CCC3)cc21 ZINC000091986322 494744474 /nfs/dbraw/zinc/74/44/74/494744474.db2.gz DQAQXQZAGYIWIP-VQTJNVASSA-N 1 0 351.494 3.401 50 0 FGAARO C[C@@H]1C[NH+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000025479988 494746561 /nfs/dbraw/zinc/74/65/61/494746561.db2.gz SHNRXNHLXFMKGQ-OPYAIIAOSA-N 1 0 355.478 3.263 50 0 FGAARO COc1ccc(CC[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000027440029 494867648 /nfs/dbraw/zinc/86/76/48/494867648.db2.gz NSMIPGUWSKOHSE-UHFFFAOYSA-N 1 0 356.441 3.271 50 0 FGAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000027570659 494874325 /nfs/dbraw/zinc/87/43/25/494874325.db2.gz JFIANGOXSSCUOZ-HXUWFJFHSA-N 1 0 367.493 3.328 50 0 FGAARO COc1ccc(CC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793098 494885300 /nfs/dbraw/zinc/88/53/00/494885300.db2.gz NGHWYPYOKUVHHZ-NRFANRHFSA-N 1 0 352.478 3.499 50 0 FGAARO CC[C@H](CO)[N@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101104 494960569 /nfs/dbraw/zinc/96/05/69/494960569.db2.gz XKZMYDQOHMBSFL-OAQYLSRUSA-N 1 0 357.494 3.263 50 0 FGAARO CCc1ncc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000095358370 494962383 /nfs/dbraw/zinc/96/23/83/494962383.db2.gz QMAAYEANYHOSAV-IBGZPJMESA-N 1 0 352.482 3.468 50 0 FGAARO Cc1nccn1CC1CCN(C(=O)C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000095362523 494964520 /nfs/dbraw/zinc/96/45/20/494964520.db2.gz JYRDFOCOGXYYIY-UHFFFAOYSA-N 1 0 372.557 3.475 50 0 FGAARO COc1ccc(-n2cc([C@H](C)NC(=O)C3CC[NH+](C(C)C)CC3)cn2)cc1 ZINC000095372581 494967620 /nfs/dbraw/zinc/96/76/20/494967620.db2.gz SOVRPSGDJRBXOW-INIZCTEOSA-N 1 0 370.497 3.179 50 0 FGAARO Cc1ccc2[nH]c(CN(C)C(=O)[C@@H]3CCC[N@H+](Cc4ccco4)C3)nc2c1 ZINC000095384052 494971029 /nfs/dbraw/zinc/97/10/29/494971029.db2.gz GZSWYUWYFYSNDG-MRXNPFEDSA-N 1 0 366.465 3.335 50 0 FGAARO CCc1noc(C)c1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095385375 494971797 /nfs/dbraw/zinc/97/17/97/494971797.db2.gz CLGPBRUPVCJVFB-QZTJIDSGSA-N 1 0 353.466 3.282 50 0 FGAARO O=C(NCc1noc(-c2cccs2)n1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095386114 494972056 /nfs/dbraw/zinc/97/20/56/494972056.db2.gz CZXLCTAYEYCSGA-HNNXBMFYSA-N 1 0 368.462 3.195 50 0 FGAARO O=C(N[C@H]1CC(=O)Nc2ccccc21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095388889 494972768 /nfs/dbraw/zinc/97/27/68/494972768.db2.gz USEKOVRMGHKCJT-FQEVSTJZSA-N 1 0 363.461 3.486 50 0 FGAARO O=C(CCc1cccnc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095389469 494972936 /nfs/dbraw/zinc/97/29/36/494972936.db2.gz YIWABJPLLZJCAU-PZJWPPBQSA-N 1 0 367.468 3.276 50 0 FGAARO Cc1cc2cc(C(=O)N3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)oc2cc1C ZINC000095431329 494975192 /nfs/dbraw/zinc/97/51/92/494975192.db2.gz SHTAENPYTOJUQC-JENIJYKNSA-N 1 0 356.466 3.373 50 0 FGAARO Cc1nn(C)c2nc(NCC3([NH+]4CCOCC4)CCCCCC3)sc12 ZINC000095506457 494982486 /nfs/dbraw/zinc/98/24/86/494982486.db2.gz NNVHWKKRVIGPNR-UHFFFAOYSA-N 1 0 363.531 3.175 50 0 FGAARO Cc1[nH]ccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095508768 494983479 /nfs/dbraw/zinc/98/34/79/494983479.db2.gz QNGRURBLAAFTBQ-VQTJNVASSA-N 1 0 351.494 3.492 50 0 FGAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](CCO)CC1 ZINC000095513171 494984335 /nfs/dbraw/zinc/98/43/35/494984335.db2.gz QWMNQVMMFMYEDS-UHFFFAOYSA-N 1 0 358.413 3.261 50 0 FGAARO CCC[C@@H]1C[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C[C@H]1NC(C)=O ZINC000095525379 494987675 /nfs/dbraw/zinc/98/76/75/494987675.db2.gz VEYGLSIINKTJJA-OXQOHEQNSA-N 1 0 366.461 3.247 50 0 FGAARO O=C([C@@H]1CCC[N@@H+](C2CCOCC2)C1)N(Cc1ccco1)Cc1ccco1 ZINC000097756455 495045033 /nfs/dbraw/zinc/04/50/33/495045033.db2.gz ZZLRAMZKDIMYKN-QGZVFWFLSA-N 1 0 372.465 3.292 50 0 FGAARO Cc1cc2nc(C[N@@H+]3CCC[C@@H](CCc4ccccc4)C3)cc(=O)n2[n-]1 ZINC000102686738 495154055 /nfs/dbraw/zinc/15/40/55/495154055.db2.gz WBZKIUAIGYXMGT-SFHVURJKSA-N 1 0 350.466 3.176 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cnoc1-c1ccccc1 ZINC000136489934 495383043 /nfs/dbraw/zinc/38/30/43/495383043.db2.gz HRDUOIZWHMPNBT-UHFFFAOYSA-N 1 0 362.433 3.131 50 0 FGAARO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000120902644 495482193 /nfs/dbraw/zinc/48/21/93/495482193.db2.gz GLAOUWUVBYNUOS-HXUWFJFHSA-N 1 0 374.431 3.169 50 0 FGAARO CSc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1Cl ZINC000170598145 495531357 /nfs/dbraw/zinc/53/13/57/495531357.db2.gz PNTXPBJULCKWJC-CYBMUJFWSA-N 1 0 370.950 3.209 50 0 FGAARO COc1cc(N[C@H]2CCC[N@H+](Cc3cnn4ccccc34)C2)cc(OC)c1 ZINC000180024474 495827822 /nfs/dbraw/zinc/82/78/22/495827822.db2.gz TZNQYDKXVWMPRN-KRWDZBQOSA-N 1 0 366.465 3.428 50 0 FGAARO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000157695495 496531748 /nfs/dbraw/zinc/53/17/48/496531748.db2.gz WPYXNLKZNGDLFE-HNNXBMFYSA-N 1 0 355.486 3.075 50 0 FGAARO COc1cccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)[nH]n2)c1 ZINC000169680658 496716525 /nfs/dbraw/zinc/71/65/25/496716525.db2.gz ZZFSKJIAKIBPSR-JXFKEZNVSA-N 1 0 368.481 3.080 50 0 FGAARO COC(=O)C1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000170091633 496718923 /nfs/dbraw/zinc/71/89/23/496718923.db2.gz GRJNPEFJBZCTGU-MJGOQNOKSA-N 1 0 359.514 3.005 50 0 FGAARO OCCC[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000247760710 496912173 /nfs/dbraw/zinc/91/21/73/496912173.db2.gz HCSOPRGEKUTOQN-UHFFFAOYSA-N 1 0 356.857 3.119 50 0 FGAARO Nc1nccc(C2CC[NH+](Cc3cnc(C4CCCCC4)nc3)CC2)n1 ZINC000215944031 496984867 /nfs/dbraw/zinc/98/48/67/496984867.db2.gz DDILYKMLUIHCFH-UHFFFAOYSA-N 1 0 352.486 3.276 50 0 FGAARO CCOc1cc(C)c(C[N@@H+]2CCCN(C(=O)COC)CC2)cc1C(C)C ZINC000215941688 496985432 /nfs/dbraw/zinc/98/54/32/496985432.db2.gz RKQVBRWHCORPOW-UHFFFAOYSA-N 1 0 362.514 3.198 50 0 FGAARO Cc1ccccc1-c1ncc(CN2CCC[C@H](CS(C)(=O)=O)C2)s1 ZINC000215978751 496985834 /nfs/dbraw/zinc/98/58/34/496985834.db2.gz ZNSYCHUXUNEFSL-HNNXBMFYSA-N 1 0 364.536 3.375 50 0 FGAARO CSc1ncc(C[N@@H+]2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cn1 ZINC000216232080 496986410 /nfs/dbraw/zinc/98/64/10/496986410.db2.gz FMFIKSVRLPGBHH-HNNXBMFYSA-N 1 0 368.466 3.023 50 0 FGAARO CCN(Cc1noc(CC(C)C)n1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000216337720 496988125 /nfs/dbraw/zinc/98/81/25/496988125.db2.gz QLJJPXYUHNNTHP-GOSISDBHSA-N 1 0 370.497 3.397 50 0 FGAARO Cc1c2cccc(C)c2n(C)c1C(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000216463347 496989663 /nfs/dbraw/zinc/98/96/63/496989663.db2.gz CJPPLYYGVGLUGX-UHFFFAOYSA-N 1 0 371.550 3.449 50 0 FGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)Cc1ccc2c(c1)OCO2 ZINC000218860972 497006373 /nfs/dbraw/zinc/00/63/73/497006373.db2.gz JUIIUIHGSCTKFP-UHFFFAOYSA-N 1 0 366.461 3.212 50 0 FGAARO CN(Cc1ccccc1-n1cccn1)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000220299215 497014133 /nfs/dbraw/zinc/01/41/33/497014133.db2.gz FXGANQMZTQTUNB-FQEVSTJZSA-N 1 0 374.488 3.320 50 0 FGAARO CN(C)c1n[nH]c(C2CC[NH+](Cc3ccccc3Br)CC2)n1 ZINC000225844568 497077324 /nfs/dbraw/zinc/07/73/24/497077324.db2.gz STQMHNICOBCWKT-UHFFFAOYSA-N 1 0 364.291 3.013 50 0 FGAARO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000248725603 497089530 /nfs/dbraw/zinc/08/95/30/497089530.db2.gz PDQHZLXZNNAETA-DJJJIMSYSA-N 1 0 357.841 3.193 50 0 FGAARO CCn1cc(Br)cc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000229780515 497099952 /nfs/dbraw/zinc/09/99/52/497099952.db2.gz HPAOMJKIZJEOMQ-CHWSQXEVSA-N 1 0 356.308 3.121 50 0 FGAARO C[NH+](C)CCN1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000229958460 497101684 /nfs/dbraw/zinc/10/16/84/497101684.db2.gz DLGRCNDWDMSUDW-CIAFKFPVSA-N 1 0 374.484 3.287 50 0 FGAARO CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000236694623 497133895 /nfs/dbraw/zinc/13/38/95/497133895.db2.gz ADKOFHAOEFZUGT-BXUZGUMPSA-N 1 0 355.276 3.188 50 0 FGAARO CCOc1cc(C(=O)N2CCCC[C@H]2C[NH3+])ccc1OCc1ccncc1 ZINC000236884018 497162306 /nfs/dbraw/zinc/16/23/06/497162306.db2.gz SXQOEFMXKGUCRL-SFHVURJKSA-N 1 0 369.465 3.013 50 0 FGAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000237146938 497196967 /nfs/dbraw/zinc/19/69/67/497196967.db2.gz 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371.912 3.327 50 0 FGAARO CN(C(=O)Nc1ccc2c(cnn2C)c1)[C@H](C[NH+](C)C)c1ccccc1 ZINC000299798897 210038242 /nfs/dbraw/zinc/03/82/42/210038242.db2.gz SWHLINNMNFGRTC-LJQANCHMSA-N 1 0 351.454 3.340 50 0 FGAARO CCCc1cc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)on1 ZINC000299800160 210040531 /nfs/dbraw/zinc/04/05/31/210040531.db2.gz WRJSYJGWFMCXII-ZCNNSNEGSA-N 1 0 353.466 3.469 50 0 FGAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCCc2ccncc2)cc1 ZINC000299788892 210031085 /nfs/dbraw/zinc/03/10/85/210031085.db2.gz WYTSHDBBESSMJT-FQEVSTJZSA-N 1 0 367.493 3.194 50 0 FGAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3sccc3Cl)cc2C1 ZINC000299789574 210030237 /nfs/dbraw/zinc/03/02/37/210030237.db2.gz ZQVMZTPYSAGOFN-UHFFFAOYSA-N 1 0 352.891 3.144 50 0 FGAARO CCNC(=O)c1ccc(NC(=O)NCC[NH+]2CCCCCC2)cc1Cl ZINC000299785779 210029074 /nfs/dbraw/zinc/02/90/74/210029074.db2.gz KNKPALOSODTKEN-UHFFFAOYSA-N 1 0 366.893 3.087 50 0 FGAARO Cc1cc(C)n(CCCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299778343 210022816 /nfs/dbraw/zinc/02/28/16/210022816.db2.gz HBALXSPUCHUMAQ-HBMCJLEFSA-N 1 0 366.509 3.232 50 0 FGAARO CN(CCC1CCOCC1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299776009 210021769 /nfs/dbraw/zinc/02/17/69/210021769.db2.gz MRPWNAISUDQWMH-HBMCJLEFSA-N 1 0 356.510 3.487 50 0 FGAARO O=C(Cc1cccc(O)c1)NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000299771761 210019331 /nfs/dbraw/zinc/01/93/31/210019331.db2.gz WVNPRMBTRUAVRT-FQEVSTJZSA-N 1 0 352.478 3.496 50 0 FGAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccnn2Cc2ccccc2)C1 ZINC000299769815 210017802 /nfs/dbraw/zinc/01/78/02/210017802.db2.gz QQYOZDXCANGJKS-INIZCTEOSA-N 1 0 353.470 3.022 50 0 FGAARO Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000299769096 210017029 /nfs/dbraw/zinc/01/70/29/210017029.db2.gz IYXBMKHJKCPCGW-MRXNPFEDSA-N 1 0 361.877 3.238 50 0 FGAARO O=C(COc1cccc(F)c1)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299766371 210014619 /nfs/dbraw/zinc/01/46/19/210014619.db2.gz ITWGZCFWDWMSGK-SFHVURJKSA-N 1 0 356.441 3.233 50 0 FGAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc(-c2cscn2)cc1 ZINC000299762349 210012849 /nfs/dbraw/zinc/01/28/49/210012849.db2.gz VHDNQVSKDQRKOF-RDJZCZTQSA-N 1 0 360.483 3.039 50 0 FGAARO Cc1cccc(OCC(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)c1C ZINC000299764462 210013230 /nfs/dbraw/zinc/01/32/30/210013230.db2.gz GWPSPOOKMLXEDK-UHFFFAOYSA-N 1 0 366.505 3.462 50 0 FGAARO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccco4)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000012710216 220019367 /nfs/dbraw/zinc/01/93/67/220019367.db2.gz IXKWFCZEAJSMLZ-MDKPJZGXSA-N 1 0 352.434 3.226 50 0 FGAARO CCc1ccc([C@@H](CNC(=O)c2cccc(OC)c2OC)[NH+](C)C)cc1 ZINC000012788587 220030819 /nfs/dbraw/zinc/03/08/19/220030819.db2.gz HFEWJCLKJJIEBC-GOSISDBHSA-N 1 0 356.466 3.299 50 0 FGAARO Cc1cccc(C(=O)NCCC[N@@H+](C)C(C)C)c1I ZINC000048106449 211860694 /nfs/dbraw/zinc/86/06/94/211860694.db2.gz UAIIFOJOGGEEFG-UHFFFAOYSA-N 1 0 374.266 3.060 50 0 FGAARO CC1CC[NH+](CC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 ZINC000015866519 220170180 /nfs/dbraw/zinc/17/01/80/220170180.db2.gz ZYFODYFBCWYKQF-UHFFFAOYSA-N 1 0 359.470 3.391 50 0 FGAARO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000019363903 220252247 /nfs/dbraw/zinc/25/22/47/220252247.db2.gz JNEBDUFKUCXJOW-SFTDATJTSA-N 1 0 368.521 3.414 50 0 FGAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)Cc1cccc(OC)c1 ZINC000040107647 211725100 /nfs/dbraw/zinc/72/51/00/211725100.db2.gz VFRUYOWLUFRTFO-UHFFFAOYSA-N 1 0 370.493 3.275 50 0 FGAARO Cc1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1 ZINC000028287493 211486861 /nfs/dbraw/zinc/48/68/61/211486861.db2.gz TYTWHJGXKBYIGM-FQEVSTJZSA-N 1 0 371.912 3.367 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1cccs1 ZINC000038629036 211443821 /nfs/dbraw/zinc/44/38/21/211443821.db2.gz XNXLQAGJQKHOIJ-QGZVFWFLSA-N 1 0 358.507 3.215 50 0 FGAARO CCCn1ncc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)c1C ZINC000023374362 211387849 /nfs/dbraw/zinc/38/78/49/211387849.db2.gz LPIQJYJCTPSTNE-NRFANRHFSA-N 1 0 362.562 3.050 50 0 FGAARO CC(C)CNC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022795989 211365507 /nfs/dbraw/zinc/36/55/07/211365507.db2.gz IXUUQPKOTQWXHX-UHFFFAOYSA-N 1 0 365.521 3.166 50 0 FGAARO CC[C@H](C)NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022795973 211365163 /nfs/dbraw/zinc/36/51/63/211365163.db2.gz KFVUYPRKHONSAG-IBGZPJMESA-N 1 0 365.521 3.308 50 0 FGAARO Fc1cc(F)cc(-c2noc3ncnc(NCC[NH+]4CCCCC4)c32)c1 ZINC000021714881 211320557 /nfs/dbraw/zinc/32/05/57/211320557.db2.gz QLVDDDSTYPCSFF-UHFFFAOYSA-N 1 0 359.380 3.461 50 0 FGAARO OCC[C@@H]1CN(Cc2nc3ccccc3[nH]2)CC[N@@H+]1CC1CCCCC1 ZINC000020995031 211301988 /nfs/dbraw/zinc/30/19/88/211301988.db2.gz IDNMXUYUXKJBGG-GOSISDBHSA-N 1 0 356.514 3.012 50 0 FGAARO CCCCC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](C)CC1)n2C(C)C ZINC000020677570 211293587 /nfs/dbraw/zinc/29/35/87/211293587.db2.gz AZFOBGUPKDQPIE-UHFFFAOYSA-N 1 0 371.529 3.493 50 0 FGAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc3c(c1)OCCO3)[NH2+]CC2 ZINC000020494411 211284283 /nfs/dbraw/zinc/28/42/83/211284283.db2.gz ILVHNIUNVYILPX-NRFANRHFSA-N 1 0 355.434 3.490 50 0 FGAARO Cn1cc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000020452659 211282250 /nfs/dbraw/zinc/28/22/50/211282250.db2.gz PSAJYPBWWSOOIE-FQEVSTJZSA-N 1 0 370.541 3.002 50 0 FGAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019902214 211262195 /nfs/dbraw/zinc/26/21/95/211262195.db2.gz IVLXKRPEXCMNCP-IBGZPJMESA-N 1 0 357.885 3.059 50 0 FGAARO COc1ccc(-c2ncc(CN3CCC[C@@H]([NH+]4CCCC4)C3)cn2)cc1 ZINC000019837429 211257817 /nfs/dbraw/zinc/25/78/17/211257817.db2.gz JGLJLROTTKXQQT-LJQANCHMSA-N 1 0 352.482 3.212 50 0 FGAARO Cc1ccc(CN2CC[N@H+](CCCc3ccccc3)C[C@@H]2CCO)cc1 ZINC000019226709 211209914 /nfs/dbraw/zinc/20/99/14/211209914.db2.gz CZUPZJOIONIGLT-QHCPKHFHSA-N 1 0 352.522 3.496 50 0 FGAARO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000019235031 211209739 /nfs/dbraw/zinc/20/97/39/211209739.db2.gz UHNQQHXANCQWKP-UHFFFAOYSA-N 1 0 370.493 3.339 50 0 FGAARO C[NH+](C)CCNC(=S)N[C@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000017457968 211186941 /nfs/dbraw/zinc/18/69/41/211186941.db2.gz ZWKLQHUUOJCNDA-SFHVURJKSA-N 1 0 359.564 3.352 50 0 FGAARO NC(=O)C1CC[NH+](Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)CC1 ZINC000016694832 211166104 /nfs/dbraw/zinc/16/61/04/211166104.db2.gz BBWACDAZNGYXSF-NRFANRHFSA-N 1 0 370.424 3.131 50 0 FGAARO O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH2+]Cc1ccc2sccc2c1 ZINC000015080699 211122241 /nfs/dbraw/zinc/12/22/41/211122241.db2.gz NFRPTDNHAORQKS-HXUWFJFHSA-N 1 0 358.507 3.145 50 0 FGAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCSC)C3)C2)c1 ZINC000015080010 211121939 /nfs/dbraw/zinc/12/19/39/211121939.db2.gz YEWWTEIUDGBKIF-FQEVSTJZSA-N 1 0 362.539 3.263 50 0 FGAARO O=C1N(Cc2ccccc2F)CCC[C@]12CC[N@H+](Cc1cccnc1)C2 ZINC000015073632 211119937 /nfs/dbraw/zinc/11/99/37/211119937.db2.gz UAMVLRIMABGWJF-OAQYLSRUSA-N 1 0 353.441 3.235 50 0 FGAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cccs2)cc1 ZINC000015001202 211113084 /nfs/dbraw/zinc/11/30/84/211113084.db2.gz VYUHBPFFSYUSNE-QGZVFWFLSA-N 1 0 372.490 3.206 50 0 FGAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2cccs2)cc1 ZINC000014994845 211112468 /nfs/dbraw/zinc/11/24/68/211112468.db2.gz UPXCGLYKQKTBHK-QGZVFWFLSA-N 1 0 358.507 3.470 50 0 FGAARO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(NCc2ccccc2)nc1 ZINC000014961093 211106558 /nfs/dbraw/zinc/10/65/58/211106558.db2.gz MTGRSBGBLWZMDV-LJQANCHMSA-N 1 0 352.482 3.298 50 0 FGAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH+]1CCC(C)CC1)C2 ZINC000014748345 211100622 /nfs/dbraw/zinc/10/06/22/211100622.db2.gz JFTXHENAHWEFEN-GOSISDBHSA-N 1 0 372.557 3.364 50 0 FGAARO CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014732721 211099125 /nfs/dbraw/zinc/09/91/25/211099125.db2.gz VDGQHQSVIUITEX-UHFFFAOYSA-N 1 0 363.461 3.115 50 0 FGAARO Cc1c(=O)c2cccc(C(=O)NCC[NH+](C)C)c2oc1-c1ccccc1 ZINC000013734428 211056898 /nfs/dbraw/zinc/05/68/98/211056898.db2.gz MPYPISUZECRIGI-UHFFFAOYSA-N 1 0 350.418 3.060 50 0 FGAARO COc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000013061759 211023118 /nfs/dbraw/zinc/02/31/18/211023118.db2.gz KEEWREGKRDGWRK-UYAOXDASSA-N 1 0 372.490 3.000 50 0 FGAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)COc1ccccc1F ZINC000013146622 211027084 /nfs/dbraw/zinc/02/70/84/211027084.db2.gz FAIXVMCSJBKOIG-QFBILLFUSA-N 1 0 354.425 3.347 50 0 FGAARO COc1ccc(OC[C@@H](O)C[NH2+]CCCOC(C)C)c(C(C)(C)C)c1 ZINC000012994495 211017757 /nfs/dbraw/zinc/01/77/57/211017757.db2.gz JVVOCQARBKPLPV-INIZCTEOSA-N 1 0 353.503 3.137 50 0 FGAARO COc1cc(C(=O)NCc2ccccc2C[NH+](C)C)ccc1OC(C)C ZINC000009917169 210857345 /nfs/dbraw/zinc/85/73/45/210857345.db2.gz ICZLJVMLAFNVFN-UHFFFAOYSA-N 1 0 356.466 3.474 50 0 FGAARO CCOC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)CCCC(C)C)cc1 ZINC000009375947 210831450 /nfs/dbraw/zinc/83/14/50/210831450.db2.gz LRVZDYJZKLEIID-AEFFLSMTSA-N 1 0 351.487 3.407 50 0 FGAARO C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000002407529 210397137 /nfs/dbraw/zinc/39/71/37/210397137.db2.gz DZZPNDHUERHJEH-SFHVURJKSA-N 1 0 366.392 3.039 50 0 FGAARO CC[NH2+]CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC)cc21 ZINC000001836571 210373582 /nfs/dbraw/zinc/37/35/82/210373582.db2.gz LIVFVPSFSJHZTF-UHFFFAOYSA-N 1 0 353.422 3.238 50 0 FGAARO [NH3+]CCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 ZINC000001889439 210372487 /nfs/dbraw/zinc/37/24/87/210372487.db2.gz CQKNDDUHIBUGOT-UHFFFAOYSA-N 1 0 354.863 3.125 50 0 FGAARO OCC[C@H]1CN(Cc2cccc3cnccc32)CC[N@@H+]1C1CCCCC1 ZINC000019839061 220302296 /nfs/dbraw/zinc/30/22/96/220302296.db2.gz XAJMYAAMLYAYRU-NRFANRHFSA-N 1 0 353.510 3.436 50 0 FGAARO C[C@H](NC(=S)Nc1ccccc1)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022027278 220374257 /nfs/dbraw/zinc/37/42/57/220374257.db2.gz XGLKPHNYUKLXQT-FXAWDEMLSA-N 1 0 368.550 3.350 50 0 FGAARO COc1cc2c(cc1C[NH2+][C@H]1CCN(Cc3ccccc3)C1)O[C@@H](C)C2 ZINC000022780788 220399183 /nfs/dbraw/zinc/39/91/83/220399183.db2.gz ZAQDOLYJBIWKRN-JXFKEZNVSA-N 1 0 352.478 3.383 50 0 FGAARO CCc1nn2c(nc(C[N@H+](CC)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000064592894 221148520 /nfs/dbraw/zinc/14/85/20/221148520.db2.gz SMXKJNZULGGBOV-UHFFFAOYSA-N 1 0 362.886 3.389 50 0 FGAARO CCc1ccccc1NC(=O)CCNc1nc(CC[NH3+])nc2ccccc21 ZINC000065372011 221204726 /nfs/dbraw/zinc/20/47/26/221204726.db2.gz YGMPRWLSHRLKIT-UHFFFAOYSA-N 1 0 363.465 3.134 50 0 FGAARO Clc1ccc(-n2cccc2CN2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000065395898 221210595 /nfs/dbraw/zinc/21/05/95/221210595.db2.gz ONDOACCQUMGVTP-UHFFFAOYSA-N 1 0 353.857 3.243 50 0 FGAARO COc1ccccc1NC(=O)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255104 221188553 /nfs/dbraw/zinc/18/85/53/221188553.db2.gz WDIUEAQDPOELIX-UHFFFAOYSA-N 1 0 364.449 3.393 50 0 FGAARO c1cncc([C@@H]2CCCCN2c2ncnc3sc4c(c32)CC[NH2+]C4)c1 ZINC000065397993 221211663 /nfs/dbraw/zinc/21/16/63/221211663.db2.gz PVVUDPUISLRKAP-HNNXBMFYSA-N 1 0 351.479 3.464 50 0 FGAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1[C@@H](C)c1n[nH]c(=O)c2ccccc21 ZINC000067605974 221262531 /nfs/dbraw/zinc/26/25/31/221262531.db2.gz GAKZWKKKBDKBDZ-ZDUSSCGKSA-N 1 0 372.432 3.236 50 0 FGAARO CCc1cccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)c1 ZINC000067630264 221263997 /nfs/dbraw/zinc/26/39/97/221263997.db2.gz AZVOHOTYXOHZGJ-UHFFFAOYSA-N 1 0 368.485 3.181 50 0 FGAARO CCC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccnn3-c3ccccc3)C2)C1 ZINC000067689049 221271942 /nfs/dbraw/zinc/27/19/42/221271942.db2.gz NGALMHLQBYIDMP-OAQYLSRUSA-N 1 0 352.482 3.097 50 0 FGAARO O=C(CC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1)Nc1nccs1 ZINC000067692355 221272492 /nfs/dbraw/zinc/27/24/92/221272492.db2.gz WEFQKYMTRQXPCG-ZDUSSCGKSA-N 1 0 355.467 3.228 50 0 FGAARO C[C@@H](C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1)[NH+](C)C ZINC000067789257 221285331 /nfs/dbraw/zinc/28/53/31/221285331.db2.gz MSCGDPZPMDWXKF-ZDUSSCGKSA-N 1 0 374.868 3.384 50 0 FGAARO COc1ccc2[nH]c(C[NH2+][C@@H](C)Cn3cnc4ccccc4c3=O)cc2c1 ZINC000067842878 221292531 /nfs/dbraw/zinc/29/25/31/221292531.db2.gz KRPDJINPBIPCLA-AWEZNQCLSA-N 1 0 362.433 3.065 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)N(C)Cc3ccccc3C)cnn2c1 ZINC000067849873 221294508 /nfs/dbraw/zinc/29/45/08/221294508.db2.gz RFOXFHYEHLAZAE-UHFFFAOYSA-N 1 0 365.481 3.152 50 0 FGAARO Cn1nc([C@@H]2CCC[N@@H+](C3CCCCCC3)C2)n(-c2ccccc2)c1=O ZINC000067868629 221297188 /nfs/dbraw/zinc/29/71/88/221297188.db2.gz YPPQKWWYCRBSQZ-QGZVFWFLSA-N 1 0 354.498 3.473 50 0 FGAARO O=C1N(CCC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1cccc(F)c1 ZINC000067881346 221300196 /nfs/dbraw/zinc/30/01/96/221300196.db2.gz DDIOISXXDDPEDE-OAQYLSRUSA-N 1 0 362.489 3.239 50 0 FGAARO O[C@@H]1C[N@H+](Cc2cccc3cnccc32)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067947121 221308252 /nfs/dbraw/zinc/30/82/52/221308252.db2.gz JHKGYTYKBOKKBL-VQTJNVASSA-N 1 0 362.429 3.314 50 0 FGAARO C[C@@H](CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000069415535 221324789 /nfs/dbraw/zinc/32/47/89/221324789.db2.gz TVHKYVNZIHEPQL-GJZGRUSLSA-N 1 0 358.511 3.385 50 0 FGAARO FC(F)(F)CCc1ccnc(NC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000071589547 221352528 /nfs/dbraw/zinc/35/25/28/221352528.db2.gz RFYSGZIYSJGRBE-UHFFFAOYSA-N 1 0 365.403 3.443 50 0 FGAARO Cc1nc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)cc(-n2cccn2)n1 ZINC000071746055 221358536 /nfs/dbraw/zinc/35/85/36/221358536.db2.gz ZPDDXQZRTICNOU-GOSISDBHSA-N 1 0 363.465 3.418 50 0 FGAARO Cc1cccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1F ZINC000071753681 221363681 /nfs/dbraw/zinc/36/36/81/221363681.db2.gz CKNLIQVZKLCKNI-GOSISDBHSA-N 1 0 373.516 3.089 50 0 FGAARO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)on1 ZINC000071754021 221365567 /nfs/dbraw/zinc/36/55/67/221365567.db2.gz GXPLCYMYOBRLOT-SFHVURJKSA-N 1 0 359.445 3.495 50 0 FGAARO Cc1sc2ncnc(N3CCC([N@@H+](C)Cc4cnn(C)c4)CC3)c2c1C ZINC000095370705 132208638 /nfs/dbraw/zinc/20/86/38/132208638.db2.gz FWWUCMDTEYFGEI-UHFFFAOYSA-N 1 0 370.526 3.142 50 0 FGAARO Cc1csc2c1ncnc2N1CCC([NH2+][C@@H](C)CCn2cccn2)CC1 ZINC000095509536 132212973 /nfs/dbraw/zinc/21/29/73/132212973.db2.gz CCHLWHFUKHKFEH-HNNXBMFYSA-N 1 0 370.526 3.233 50 0 FGAARO CCc1nnc(C[NH2+]C2CCN(c3ncnc4c(C)csc43)CC2)s1 ZINC000095515187 132213413 /nfs/dbraw/zinc/21/34/13/132213413.db2.gz AKDYAKQOZPVOGR-UHFFFAOYSA-N 1 0 374.539 3.172 50 0 FGAARO CCCc1cncnc1N1CCC([NH2+]CCN2CCc3ccccc32)CC1 ZINC000095526771 132214547 /nfs/dbraw/zinc/21/45/47/132214547.db2.gz SZXCDNHQJAADID-UHFFFAOYSA-N 1 0 365.525 3.050 50 0 FGAARO CCCc1cc(N2CCC([NH2+][C@@H]3COc4ccccc43)CC2)nc(C)n1 ZINC000096149926 132220548 /nfs/dbraw/zinc/22/05/48/132220548.db2.gz JOWMJIQJDHGDIU-LJQANCHMSA-N 1 0 352.482 3.430 50 0 FGAARO O=C(NCC1([NH+]2CCCC2)CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000223337801 132279212 /nfs/dbraw/zinc/27/92/12/132279212.db2.gz XHSIMEYJNZTVHC-UHFFFAOYSA-N 1 0 371.525 3.052 50 0 FGAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C3CCCC3)C2)CC1 ZINC000055341466 136126561 /nfs/dbraw/zinc/12/65/61/136126561.db2.gz UHDRNRJNYPGNCO-HXUWFJFHSA-N 1 0 355.526 3.298 50 0 FGAARO CC(C)c1nc2c(cnn2C)c(N2CCC([C@H](C)[NH+]3CCCC3)CC2)n1 ZINC000072167355 136143579 /nfs/dbraw/zinc/14/35/79/136143579.db2.gz XWJOVTNNWWDOBB-HNNXBMFYSA-N 1 0 356.518 3.187 50 0 FGAARO O=C1C[N@H+](C2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CCCN1 ZINC000023251566 136152437 /nfs/dbraw/zinc/15/24/37/136152437.db2.gz RECWLIXPKVKDIA-UHFFFAOYSA-N 1 0 367.468 3.283 50 0 FGAARO CC(C)C[N@@H+]1CC[C@H](CN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)C1 ZINC000072454530 221537101 /nfs/dbraw/zinc/53/71/01/221537101.db2.gz RBTMVANAXFYKAA-LJQANCHMSA-N 1 0 360.542 3.440 50 0 FGAARO Cc1ccc(OC2(C(=O)N3CCC[C@@H]3C(F)(F)F)CC[NH2+]CC2)cc1 ZINC000077440603 221628257 /nfs/dbraw/zinc/62/82/57/221628257.db2.gz UHGXHRDMAHSGGJ-OAHLLOKOSA-N 1 0 356.388 3.049 50 0 FGAARO CCOc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000091255520 221749271 /nfs/dbraw/zinc/74/92/71/221749271.db2.gz HIAKXJBMFSHSTH-YLJYHZDGSA-N 1 0 365.477 3.217 50 0 FGAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000095407044 221899947 /nfs/dbraw/zinc/89/99/47/221899947.db2.gz LTTRLQJPKZZQEW-UTKZUKDTSA-N 1 0 367.493 3.309 50 0 FGAARO CCCn1ncc(-c2nc([C@H]3CCOC3)nn2-c2cc[nH+]cc2C)c1C ZINC000096135844 222039440 /nfs/dbraw/zinc/03/94/40/222039440.db2.gz YIVTXFSQDLOOCE-HNNXBMFYSA-N 1 0 352.442 3.057 50 0 FGAARO C[NH+]1CCC(O)(c2nc(COc3ccccc3)nn2C2CCCCC2)CC1 ZINC000096135804 222039743 /nfs/dbraw/zinc/03/97/43/222039743.db2.gz YILQCUITQBBEKT-UHFFFAOYSA-N 1 0 370.497 3.276 50 0 FGAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1ccnnc1 ZINC000096137515 222041129 /nfs/dbraw/zinc/04/11/29/222041129.db2.gz NLZZADXTZNFBMW-UHFFFAOYSA-N 1 0 372.900 3.157 50 0 FGAARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1cc(C3CC3)n[nH]1)CC2 ZINC000096138722 222042167 /nfs/dbraw/zinc/04/21/67/222042167.db2.gz STJYRJLWFJXKPT-GOSISDBHSA-N 1 0 364.493 3.381 50 0 FGAARO Fc1cccc(OCc2nc(C[C@@H]3C[NH2+]CCO3)n(C3CCCCC3)n2)c1 ZINC000096164878 222064712 /nfs/dbraw/zinc/06/47/12/222064712.db2.gz BEPDKGWGQWMQLJ-GOSISDBHSA-N 1 0 374.460 3.032 50 0 FGAARO COc1cccc(Oc2ccc(NC(=O)NCC[C@@H]3CCC[NH2+]3)cn2)c1 ZINC000097243780 222170312 /nfs/dbraw/zinc/17/03/12/222170312.db2.gz LSYHPDLNWUVBHR-AWEZNQCLSA-N 1 0 356.426 3.146 50 0 FGAARO CN1CC[NH+](C2(CNC(=O)Nc3cc(F)cc(Cl)c3)CCCC2)CC1 ZINC000097347346 222176909 /nfs/dbraw/zinc/17/69/09/222176909.db2.gz NVOKFAUMWIUWAM-UHFFFAOYSA-N 1 0 368.884 3.161 50 0 FGAARO [NH3+]CC[C@@H]1CN(Cc2ccccc2OCc2ccc(Cl)cc2)CCO1 ZINC000097474910 222183409 /nfs/dbraw/zinc/18/34/09/222183409.db2.gz ZCPGYINRAGXAOS-LJQANCHMSA-N 1 0 360.885 3.469 50 0 FGAARO CC[N@H+](Cc1ccc(Sc2nncn2C)o1)[C@H]1CCOC(C)(C)C1 ZINC000097642568 222201552 /nfs/dbraw/zinc/20/15/52/222201552.db2.gz QYRIAWAQFCVPFY-ZDUSSCGKSA-N 1 0 350.488 3.339 50 0 FGAARO COc1cccc(-c2n[nH]cc2C(=O)NC(C)(C)C[NH+]2CCCCCC2)c1 ZINC000097635149 222201612 /nfs/dbraw/zinc/20/16/12/222201612.db2.gz OOIOGTRBDSTVAF-UHFFFAOYSA-N 1 0 370.497 3.470 50 0 FGAARO CN1CCN([C@H]2CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C2)CC1 ZINC000097773110 222211984 /nfs/dbraw/zinc/21/19/84/222211984.db2.gz GXTTWWGMTLKJGW-QFIPXVFZSA-N 1 0 365.521 3.087 50 0 FGAARO COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]12 ZINC000100386976 222243419 /nfs/dbraw/zinc/24/34/19/222243419.db2.gz GRTOGORTSDXSFK-RXMXQMHTSA-N 1 0 352.434 3.179 50 0 biogenic,in-vitro FGAARO CC(C)=CC[N@@H+]1CCN(Cc2ccccc2OC(F)F)C[C@H]1CCO ZINC000104370635 222355773 /nfs/dbraw/zinc/35/57/73/222355773.db2.gz DRMLOEYRJIPDTI-QGZVFWFLSA-N 1 0 354.441 3.123 50 0 FGAARO Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000426359503 263564263 /nfs/dbraw/zinc/56/42/63/263564263.db2.gz IULCGFKCDJQIOK-INIZCTEOSA-N 1 0 361.534 3.384 50 0 FGAARO COc1ccc(C(=O)N(C)Cc2cccc(SC)c2)cc1OCC[NH3+] ZINC000426477948 263599264 /nfs/dbraw/zinc/59/92/64/263599264.db2.gz DSBIRDXUPXTMIP-UHFFFAOYSA-N 1 0 360.479 3.027 50 0 FGAARO CS[C@H]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000075920625 493795870 /nfs/dbraw/zinc/79/58/70/493795870.db2.gz LGVIGLDCYPUSSO-HIFRSBDPSA-N 1 0 358.454 3.120 50 0 FGAARO C[C@@H](SC1=[NH+]CCN1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001994555 493800226 /nfs/dbraw/zinc/80/02/26/493800226.db2.gz ZOZYUCFKIMKXRD-SSDOTTSWSA-N 1 0 351.781 3.378 50 0 FGAARO C[C@@H]1C[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000028842705 493803723 /nfs/dbraw/zinc/80/37/23/493803723.db2.gz SMXCUFSAWVVLEP-HDICACEKSA-N 1 0 352.478 3.392 50 0 FGAARO CC(C)[C@@H](CNC(=O)Cc1ccc(-n2cccn2)cc1)[NH+]1CCC(C)CC1 ZINC000048252719 493808075 /nfs/dbraw/zinc/80/80/75/493808075.db2.gz VJBBTECHGHYLFK-OAQYLSRUSA-N 1 0 368.525 3.288 50 0 FGAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(C)c(OC)c2)CC1 ZINC000058097901 493825527 /nfs/dbraw/zinc/82/55/27/493825527.db2.gz DRSBSHVWBWBABS-UHFFFAOYSA-N 1 0 353.466 3.398 50 0 FGAARO CCOc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc(OC)cc3)C2)cc1 ZINC000002966376 493826848 /nfs/dbraw/zinc/82/68/48/493826848.db2.gz JLVMYKKNAIBHRD-JOCHJYFZSA-N 1 0 367.469 3.354 50 0 FGAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)c2ccc(C)cc2)c1=N ZINC000002955287 493826967 /nfs/dbraw/zinc/82/69/67/493826967.db2.gz DFYJEMWNWBXNDV-NRFANRHFSA-N 1 0 366.509 3.306 50 0 FGAARO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC(F)F ZINC000058174427 493830613 /nfs/dbraw/zinc/83/06/13/493830613.db2.gz AMHPPYSNQOROEV-ZDUSSCGKSA-N 1 0 356.413 3.147 50 0 FGAARO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cnn1-c1ccc(F)cc1 ZINC000058201627 493832709 /nfs/dbraw/zinc/83/27/09/493832709.db2.gz CLDULGAWCNJXDM-INIZCTEOSA-N 1 0 358.461 3.170 50 0 FGAARO Cc1ccc(-c2nc(CC(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)cs2)o1 ZINC000058231898 493836902 /nfs/dbraw/zinc/83/69/02/493836902.db2.gz NKJNUZMKKCLZTG-HNNXBMFYSA-N 1 0 361.511 3.491 50 0 FGAARO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)[C@@H]1CCc2ccccc21 ZINC000029485594 493841041 /nfs/dbraw/zinc/84/10/41/493841041.db2.gz OQQRSZLHWGXJIJ-HXUWFJFHSA-N 1 0 363.461 3.137 50 0 FGAARO CN(C(=O)OCc1ccccc1)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000004266519 493870132 /nfs/dbraw/zinc/87/01/32/493870132.db2.gz XXJCJEOBWAOPCT-VQTJNVASSA-N 1 0 354.450 3.063 50 0 FGAARO O=C1C[C@@H]([NH2+]CC2CCCCC2)C(=O)N1c1ccc(Br)cc1 ZINC000004978268 493904685 /nfs/dbraw/zinc/90/46/85/493904685.db2.gz MOXCRWLAQDTOHH-OAHLLOKOSA-N 1 0 365.271 3.251 50 0 FGAARO Cn1nnnc1SCCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000004993863 493907041 /nfs/dbraw/zinc/90/70/41/493907041.db2.gz NWEDWOABKQWTDU-UHFFFAOYSA-N 1 0 369.494 3.061 50 0 FGAARO CC[C@H](CO)[NH2+]Cc1cc(Cl)c(OCc2cccnc2)c(OC)c1 ZINC000004999719 493907177 /nfs/dbraw/zinc/90/71/77/493907177.db2.gz SZFZSZSNCRJXRQ-OAHLLOKOSA-N 1 0 350.846 3.183 50 0 FGAARO O=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000076589077 493930038 /nfs/dbraw/zinc/93/00/38/493930038.db2.gz IQEMYICGGXALFP-GOSISDBHSA-N 1 0 366.465 3.359 50 0 FGAARO O=C1Nc2ccccc2NC12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000082116009 493979955 /nfs/dbraw/zinc/97/99/55/493979955.db2.gz PKZQLDLSHUMJNZ-UHFFFAOYSA-N 1 0 365.462 3.090 50 0 FGAARO Cc1cc(Cl)c(C)c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1Cl ZINC000006844673 493983109 /nfs/dbraw/zinc/98/31/09/493983109.db2.gz BJKWDPMIFWUZQQ-UHFFFAOYSA-N 1 0 367.342 3.476 50 0 FGAARO CCCC[C@@H](CC)C[NH2+]C[C@H](O)COCc1ccc(OC)c(OC)c1 ZINC000006937352 493988443 /nfs/dbraw/zinc/98/84/43/493988443.db2.gz SUUBYHJFODMCAI-AEFFLSMTSA-N 1 0 353.503 3.387 50 0 FGAARO c1ccc([C@H]([C@@H]2CCO[C@@H]2n2nnc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000032601042 493999115 /nfs/dbraw/zinc/99/91/15/493999115.db2.gz JVTGDLZAVNBRJM-WMQCIHAUSA-N 1 0 364.449 3.040 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1 ZINC000032779875 494015670 /nfs/dbraw/zinc/01/56/70/494015670.db2.gz LEVGUSBCVMGQQM-GOSISDBHSA-N 1 0 366.440 3.119 50 0 FGAARO Cc1cc(C[NH+]2CCC3(C[C@@H]3c3nc(-c4cccnc4)no3)CC2)on1 ZINC000069818575 494017485 /nfs/dbraw/zinc/01/74/85/494017485.db2.gz MXNBHCHPHOHICQ-MRXNPFEDSA-N 1 0 351.410 3.198 50 0 FGAARO CCNc1nc(NCCNC(=O)c2cccc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000077139371 494022129 /nfs/dbraw/zinc/02/21/29/494022129.db2.gz IWTKJGMHZUVIFL-UHFFFAOYSA-N 1 0 367.375 3.078 50 0 FGAARO CCc1nc(C)c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)o1 ZINC000077286495 494048685 /nfs/dbraw/zinc/04/86/85/494048685.db2.gz VDTOBKLOHOXWBH-UHFFFAOYSA-N 1 0 355.482 3.326 50 0 FGAARO C[C@@H]1CCC[N@H+](CC2CCN(S(=O)(=O)Cc3ccccc3F)CC2)C1 ZINC000033312363 494057952 /nfs/dbraw/zinc/05/79/52/494057952.db2.gz HWYJZQIZUFYDBY-MRXNPFEDSA-N 1 0 368.518 3.099 50 0 FGAARO CCc1ccc2nc(C)cc(C(=O)N3CCC[C@@](O)(C[NH+](C)C)CC3)c2c1 ZINC000077321529 494058119 /nfs/dbraw/zinc/05/81/19/494058119.db2.gz LMNMIVHKZFBLKX-QFIPXVFZSA-N 1 0 369.509 3.024 50 0 FGAARO COc1ccc(C[NH+]2CCC3(CC2)Nc2cccc(Cl)c2C(=O)N3)cc1 ZINC000034812241 494069080 /nfs/dbraw/zinc/06/90/80/494069080.db2.gz BNNBMZBREXKIHU-UHFFFAOYSA-N 1 0 371.868 3.496 50 0 FGAARO CCOc1ccc(OCC[NH2+][C@H](C)CC(=O)Nc2cccc(OC)c2)cc1 ZINC000008345301 494085477 /nfs/dbraw/zinc/08/54/77/494085477.db2.gz MEHLJDJHILOMOS-MRXNPFEDSA-N 1 0 372.465 3.480 50 0 FGAARO COCCC[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COc1ccccc1C ZINC000036100191 494087016 /nfs/dbraw/zinc/08/70/16/494087016.db2.gz DBPMLQGSSXLKKN-HXUWFJFHSA-N 1 0 373.493 3.282 50 0 FGAARO COCCC[N@@H+](Cc1ccc(C)s1)C[C@@H](O)COCc1ccco1 ZINC000036101412 494087080 /nfs/dbraw/zinc/08/70/80/494087080.db2.gz HDUKRXQEJJVXCN-MRXNPFEDSA-N 1 0 353.484 3.066 50 0 FGAARO Cc1c[nH]c(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)c(C)c1=O ZINC000077458123 494087387 /nfs/dbraw/zinc/08/73/87/494087387.db2.gz LZGDXWIEVZZXQD-JOCHJYFZSA-N 1 0 373.541 3.242 50 0 FGAARO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037213037 494102930 /nfs/dbraw/zinc/10/29/30/494102930.db2.gz JQBYNBPRAQHTCV-IRXDYDNUSA-N 1 0 351.450 3.364 50 0 FGAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000064333869 494114631 /nfs/dbraw/zinc/11/46/31/494114631.db2.gz FTOUIPUXPQZHPE-KBPBESRZSA-N 1 0 360.454 3.147 50 0 FGAARO O=C(CCn1cnc2ccccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000009337447 494121175 /nfs/dbraw/zinc/12/11/75/494121175.db2.gz GAQFKZKFAPZGGB-UHFFFAOYSA-N 1 0 362.477 3.339 50 0 FGAARO Cc1cc(C(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)ccc1O ZINC000072126687 494129032 /nfs/dbraw/zinc/12/90/32/494129032.db2.gz SZPQOHKRWOAJIK-HXUWFJFHSA-N 1 0 352.478 3.480 50 0 FGAARO COCc1ncc(C[N@@H+]2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)cn1 ZINC000072129080 494129173 /nfs/dbraw/zinc/12/91/73/494129173.db2.gz ZKCDBBWLGLWXSG-INIZCTEOSA-N 1 0 351.454 3.187 50 0 FGAARO Clc1cc2c(cc1CN1CCC[N@H+](Cc3ccncc3)CC1)OCO2 ZINC000072128843 494129303 /nfs/dbraw/zinc/12/93/03/494129303.db2.gz AYAVYCGYYQFFKY-UHFFFAOYSA-N 1 0 359.857 3.172 50 0 FGAARO COCCc1noc([C@H]2CCC[N@H+](Cc3cc4c(cc3OC)CCC4)C2)n1 ZINC000072137179 494131902 /nfs/dbraw/zinc/13/19/02/494131902.db2.gz BQEHKUYVEXPPCZ-KRWDZBQOSA-N 1 0 371.481 3.135 50 0 FGAARO Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000072139329 494132180 /nfs/dbraw/zinc/13/21/80/494132180.db2.gz IXCJJUNBACWZHS-GOSISDBHSA-N 1 0 367.493 3.461 50 0 FGAARO CCOC(=O)CCCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072139059 494132430 /nfs/dbraw/zinc/13/24/30/494132430.db2.gz SQSLXZYZRJFNQF-CEMLEFRQSA-N 1 0 356.510 3.282 50 0 FGAARO CC(C)n1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072137400 494132497 /nfs/dbraw/zinc/13/24/97/494132497.db2.gz VEABNDCYTURHOT-NJDAHSKKSA-N 1 0 364.493 3.166 50 0 FGAARO O=C(/C=C/c1cc(Br)ccc1F)NCC[NH+]1CCCCC1 ZINC000040107516 494132669 /nfs/dbraw/zinc/13/26/69/494132669.db2.gz ABQWPBWRRPKUJU-QPJJXVBHSA-N 1 0 355.251 3.204 50 0 FGAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000040107607 494133261 /nfs/dbraw/zinc/13/32/61/494133261.db2.gz YQPQRDCPOYSYKG-VXGBXAGGSA-N 1 0 357.267 3.296 50 0 FGAARO COc1cccc([C@@H]2CN(C(=O)c3occc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072145157 494133433 /nfs/dbraw/zinc/13/34/33/494133433.db2.gz YDSSBSRMOIFBGY-XUVXKRRUSA-N 1 0 366.461 3.299 50 0 FGAARO c1nc2sc3c(c2c(N2CC[NH+](C[C@@H]4CCCO4)CC2)n1)CCCCC3 ZINC000009862942 494134208 /nfs/dbraw/zinc/13/42/08/494134208.db2.gz GKZHZUDPNCRZIP-HNNXBMFYSA-N 1 0 372.538 3.261 50 0 FGAARO Cc1ccc([C@H]2CN(C(=O)c3ccccc3O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072149640 494134743 /nfs/dbraw/zinc/13/47/43/494134743.db2.gz YPAJNEHJDLCAMK-CEMLEFRQSA-N 1 0 362.473 3.403 50 0 FGAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCN(c2ccccn2)CC1 ZINC000040154255 494137507 /nfs/dbraw/zinc/13/75/07/494137507.db2.gz UHFYNYFVSZMMQX-GOSISDBHSA-N 1 0 370.522 3.019 50 0 FGAARO CC1(C)Cc2c(sc3[nH]c(C[NH2+]CCc4ccccc4)nc(=O)c23)CO1 ZINC000040285220 494139989 /nfs/dbraw/zinc/13/99/89/494139989.db2.gz MODZVDUNAAARSX-UHFFFAOYSA-N 1 0 369.490 3.168 50 0 FGAARO Cc1ccc([C@@H]2CN(C(=O)c3ccccc3O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072166383 494140780 /nfs/dbraw/zinc/14/07/80/494140780.db2.gz YPAJNEHJDLCAMK-KSEOMHKRSA-N 1 0 362.473 3.403 50 0 FGAARO CCCOc1ccc2ccccc2c1C[NH2+]CCCSc1nnnn1C ZINC000040744605 494146187 /nfs/dbraw/zinc/14/61/87/494146187.db2.gz BKWSXORHRWXUSH-UHFFFAOYSA-N 1 0 371.510 3.424 50 0 FGAARO Cc1ccccc1COc1ccc(Cl)cc1CNCCC[NH2+]CCO ZINC000040720890 494146257 /nfs/dbraw/zinc/14/62/57/494146257.db2.gz QWCYQSWAZJTEPM-UHFFFAOYSA-N 1 0 362.901 3.289 50 0 FGAARO C[NH+](C)CCCNC(=O)c1ccccc1NC(=O)c1ccccc1Cl ZINC000010312841 494149503 /nfs/dbraw/zinc/14/95/03/494149503.db2.gz RDGZAVJXQAYIDL-UHFFFAOYSA-N 1 0 359.857 3.274 50 0 FGAARO CCOc1cc(C[NH2+]CCOCCO)ccc1OCc1ccc(C)cc1 ZINC000010436342 494153246 /nfs/dbraw/zinc/15/32/46/494153246.db2.gz OBTCRSDYDDQOMD-UHFFFAOYSA-N 1 0 359.466 3.071 50 0 FGAARO Cc1nc([C@]2(O)CCC[NH2+]CC2)sc1COc1ccc(F)c(F)c1 ZINC000072343631 494154745 /nfs/dbraw/zinc/15/47/45/494154745.db2.gz DGEPQYYMDDXYMZ-KRWDZBQOSA-N 1 0 354.422 3.270 50 0 FGAARO CC(C)SCC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072412229 494167053 /nfs/dbraw/zinc/16/70/53/494167053.db2.gz RTTYXEYBMQEMPR-HXUWFJFHSA-N 1 0 361.555 3.428 50 0 FGAARO CNc1nc(C)c(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)s1 ZINC000072425829 494171278 /nfs/dbraw/zinc/17/12/78/494171278.db2.gz OYRKCCDGORAMMW-UHFFFAOYSA-N 1 0 370.522 3.156 50 0 FGAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc2cccnc2c1O ZINC000072447582 494175933 /nfs/dbraw/zinc/17/59/33/494175933.db2.gz MDQGELYRBCVHGE-SFHVURJKSA-N 1 0 361.445 3.069 50 0 FGAARO Cc1nc(CNc2nc(-c3ccco3)nc3c2CC[N@H+](C)CC3)cs1 ZINC000072448213 494176201 /nfs/dbraw/zinc/17/62/01/494176201.db2.gz IUGIFBUDZHMEEL-UHFFFAOYSA-N 1 0 355.467 3.144 50 0 FGAARO CCCc1ncncc1C(=O)N(C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072478093 494181185 /nfs/dbraw/zinc/18/11/85/494181185.db2.gz RTILPZNOVSOVFH-IBGZPJMESA-N 1 0 366.509 3.208 50 0 FGAARO CC(C)CCNC(=O)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000065255725 494183202 /nfs/dbraw/zinc/18/32/02/494183202.db2.gz IGQYFTRIBGYQNS-LJQANCHMSA-N 1 0 352.482 3.008 50 0 FGAARO OC[C@]1(Cc2ccccc2F)CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000011661478 494184634 /nfs/dbraw/zinc/18/46/34/494184634.db2.gz ZWDWEMADRLZEMW-NRFANRHFSA-N 1 0 357.425 3.372 50 0 FGAARO CC(C)C[NH+]1CCC([C@@H]2CCN(C(=O)c3cn4ccccc4n3)C2)CC1 ZINC000011663249 494184993 /nfs/dbraw/zinc/18/49/93/494184993.db2.gz CTJJPHGFIOMNAR-GOSISDBHSA-N 1 0 354.498 3.164 50 0 FGAARO CCC[NH+]1CCN(CCNC(=O)c2cc3cn(C(C)C)cc3s2)CC1 ZINC000065285535 494186329 /nfs/dbraw/zinc/18/63/29/494186329.db2.gz OJYZLSYTVOASRO-UHFFFAOYSA-N 1 0 362.543 3.041 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)CC1 ZINC000011951172 494198443 /nfs/dbraw/zinc/19/84/43/494198443.db2.gz ZHXDKXUCBRQMQV-UHFFFAOYSA-N 1 0 353.466 3.398 50 0 FGAARO CSc1ccc(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)cc1 ZINC000012054841 494201722 /nfs/dbraw/zinc/20/17/22/494201722.db2.gz YGLQUOPULIHCJW-UHFFFAOYSA-N 1 0 362.539 3.260 50 0 FGAARO O=C(NCc1ccco1)[C@H]1CC12CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC000012132272 494206976 /nfs/dbraw/zinc/20/69/76/494206976.db2.gz XMTFNECYZQTAHO-LJQANCHMSA-N 1 0 366.461 3.133 50 0 FGAARO COc1cc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3Cl)C2)ccc1F ZINC000012301593 494221546 /nfs/dbraw/zinc/22/15/46/494221546.db2.gz FFWDMCOAWMIDIS-HNNXBMFYSA-N 1 0 362.832 3.378 50 0 FGAARO Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)n1C ZINC000012302311 494221964 /nfs/dbraw/zinc/22/19/64/494221964.db2.gz SARWQRPNUZXLLE-JOCHJYFZSA-N 1 0 366.509 3.052 50 0 FGAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1 ZINC000012316928 494222857 /nfs/dbraw/zinc/22/28/57/494222857.db2.gz XJINKWANCAWTGO-NRFANRHFSA-N 1 0 352.482 3.138 50 0 FGAARO O=C(CCc1cccs1)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012314172 494223147 /nfs/dbraw/zinc/22/31/47/494223147.db2.gz UDPYHLAUMJAKSB-SFHVURJKSA-N 1 0 354.519 3.429 50 0 FGAARO CC1(C)CC(NC(=O)c2nc(-c3ccc4cc[nH]c4c3)no2)CC(C)(C)[NH2+]1 ZINC000012408494 494230391 /nfs/dbraw/zinc/23/03/91/494230391.db2.gz OJJMPYYTKWJJJL-UHFFFAOYSA-N 1 0 367.453 3.257 50 0 FGAARO CCOC(=O)C1(CCOC)CC[NH+]([C@@H](C)Cc2ccccc2OC)CC1 ZINC000012585757 494244209 /nfs/dbraw/zinc/24/42/09/494244209.db2.gz ZHCKOLZAJLDWGU-KRWDZBQOSA-N 1 0 363.498 3.308 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000042840930 494247185 /nfs/dbraw/zinc/24/71/85/494247185.db2.gz QRFVLQIUXJWTHK-UHFFFAOYSA-N 1 0 368.525 3.314 50 0 FGAARO CSCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012704493 494251838 /nfs/dbraw/zinc/25/18/38/494251838.db2.gz WMFRZXAUSOOKPT-SFHVURJKSA-N 1 0 354.466 3.142 50 0 FGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cnc3c(cccc3C(F)(F)F)c2=O)C1 ZINC000043102882 494264246 /nfs/dbraw/zinc/26/42/46/494264246.db2.gz NFZODPDONFRQKQ-BETUJISGSA-N 1 0 353.388 3.393 50 0 FGAARO Cc1ccc(NC(=O)CC(=O)N(C)C[C@@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000055132412 494305395 /nfs/dbraw/zinc/30/53/95/494305395.db2.gz YXKSCYZZHNSOFY-HNNXBMFYSA-N 1 0 365.905 3.166 50 0 FGAARO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000055165800 494309130 /nfs/dbraw/zinc/30/91/30/494309130.db2.gz OKYNXUFIHFPUAC-CQSZACIVSA-N 1 0 352.525 3.457 50 0 FGAARO CCc1oc(C(=O)NCc2cnc3ccccn23)cc1C[NH+]1CCCC1 ZINC000055254108 494319370 /nfs/dbraw/zinc/31/93/70/494319370.db2.gz NVQXFQALPWOBHT-UHFFFAOYSA-N 1 0 352.438 3.016 50 0 FGAARO CCc1oc(C(=O)N2CC[C@H](n3nc(C)cc3C)C2)cc1C[NH+]1CCCC1 ZINC000055402029 494337884 /nfs/dbraw/zinc/33/78/84/494337884.db2.gz NJWDDIUNVXJQGL-SFHVURJKSA-N 1 0 370.497 3.338 50 0 FGAARO O=C(NCc1ccc(-n2ccnc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044932625 494389239 /nfs/dbraw/zinc/38/92/39/494389239.db2.gz HZGQNODRZBQEMF-UHFFFAOYSA-N 1 0 374.488 3.401 50 0 FGAARO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(OC)c(OC)c1Br ZINC000079075186 494400535 /nfs/dbraw/zinc/40/05/35/494400535.db2.gz KYPSXQDIKVGIFO-MRXNPFEDSA-N 1 0 374.275 3.288 50 0 FGAARO NC(=O)c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc1 ZINC000019789609 494460177 /nfs/dbraw/zinc/46/01/77/494460177.db2.gz QQSZETJPKYPAJV-UHFFFAOYSA-N 1 0 372.472 3.092 50 0 FGAARO OCC[NH+]1CCN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC000020463697 494473153 /nfs/dbraw/zinc/47/31/53/494473153.db2.gz WXDSHBVXQJCSBK-UHFFFAOYSA-N 1 0 368.868 3.065 50 0 FGAARO CC[NH+](CC)CCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000022241659 494517637 /nfs/dbraw/zinc/51/76/37/494517637.db2.gz PTRDFPMLSGWPLR-UHFFFAOYSA-N 1 0 369.912 3.149 50 0 FGAARO Cc1ccc(C)c(OC2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000056595138 494532853 /nfs/dbraw/zinc/53/28/53/494532853.db2.gz CEDAPCYSXDAGBZ-UHFFFAOYSA-N 1 0 371.525 3.483 50 0 FGAARO Cc1cccc(C)c1NC(=O)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127406 494551399 /nfs/dbraw/zinc/55/13/99/494551399.db2.gz 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Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000245229344 497377561 /nfs/dbraw/zinc/37/75/61/497377561.db2.gz UZOQXQJVKDYUBB-NHCUHLMSSA-N 1 0 355.478 3.416 50 0 FGAARO CC[N@@H+]1CCCn2ccnc2[C@@H]1C1CCN(C(=O)c2ccccc2)CC1 ZINC000257174386 497382349 /nfs/dbraw/zinc/38/23/49/497382349.db2.gz GGNWVEJUGJMIBM-IBGZPJMESA-N 1 0 352.482 3.202 50 0 FGAARO Cc1ccc(C[N@H+]2CCC[C@H](c3nc(C(C)C)no3)CCNC(=O)CC2)o1 ZINC000257182881 497384950 /nfs/dbraw/zinc/38/49/50/497384950.db2.gz QKHFRJMREMBPCI-INIZCTEOSA-N 1 0 374.485 3.370 50 0 FGAARO Cc1noc([C@@]23C[N@H+](CC(C)C)C[C@@H]2CCN(Cc2ccccc2)C3)n1 ZINC000257180223 497385742 /nfs/dbraw/zinc/38/57/42/497385742.db2.gz DITBSHBZACFKRA-FPOVZHCZSA-N 1 0 354.498 3.110 50 0 FGAARO CC[C@H](C)C(=O)N1CCC2(CC1)[NH2+]CCc1c3cc(OC)ccc3[nH]c12 ZINC000257183756 497385823 /nfs/dbraw/zinc/38/58/23/497385823.db2.gz HXCCSEXEQVYOGQ-AWEZNQCLSA-N 1 0 355.482 3.186 50 0 FGAARO Cc1cccc(CC(=O)N2CCC3(CC2)CCC(O)(C[NH+](C)C)CC3)c1 ZINC000257196851 497389611 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50 0 FGAARO O=C1NCCN1CC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000377535624 499701444 /nfs/dbraw/zinc/70/14/44/499701444.db2.gz JXWCFHTVXWINRI-UHFFFAOYSA-N 1 0 364.902 3.154 50 0 FGAARO C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)c2ocnc2C2CC2)CC1 ZINC000377839330 499740797 /nfs/dbraw/zinc/74/07/97/499740797.db2.gz IHMSALOUKDOHCF-KRWDZBQOSA-N 1 0 354.454 3.074 50 0 FGAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(-c3cccc(N)n3)cc2)C1 ZINC000426518701 500283458 /nfs/dbraw/zinc/28/34/58/500283458.db2.gz FUOAIUHOXGWUBW-HNNXBMFYSA-N 1 0 350.466 3.030 50 0 FGAARO COCC[NH+]1CCC(CNC(=O)N2CCC[C@H](c3cccc(C)c3)C2)CC1 ZINC000426519325 500283850 /nfs/dbraw/zinc/28/38/50/500283850.db2.gz VOIRVRDLHFIVMP-NRFANRHFSA-N 1 0 373.541 3.242 50 0 FGAARO COc1ccc(-c2cccc(C(=O)N[C@H]3C[NH+]4CCC3CC4)c2)c(OC)c1 ZINC000426521185 500284445 /nfs/dbraw/zinc/28/44/45/500284445.db2.gz HLAOBBGYBGDMOJ-FQEVSTJZSA-N 1 0 366.461 3.195 50 0 FGAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000426548593 500288251 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Cc1ccccc1[C@H](CNC(=O)N(Cc1cccnc1)C1CC1)[NH+](C)C ZINC000534644879 504201359 /nfs/dbraw/zinc/20/13/59/504201359.db2.gz XSZNZTCEEORYIR-FQEVSTJZSA-N 1 0 352.482 3.367 50 0 FGAARO C[N@@H+]1CC[C@@H](NC(=O)N(CCc2ccc(Cl)cc2)Cc2ccncc2)C1 ZINC000584888568 507556836 /nfs/dbraw/zinc/55/68/36/507556836.db2.gz QKDYSEKOHNRQSW-LJQANCHMSA-N 1 0 372.900 3.193 50 0 FGAARO CC(C)n1ncnc1-c1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000584900805 507563479 /nfs/dbraw/zinc/56/34/79/507563479.db2.gz QCAPUHKQCFJQRG-UHFFFAOYSA-N 1 0 355.486 3.130 50 0 FGAARO CC(C)CC[N@@H+]1CCN(Cc2c[nH]nc2-c2cccc(F)c2)C[C@@H]1CCO ZINC000020453216 519653842 /nfs/dbraw/zinc/65/38/42/519653842.db2.gz QGBCDBCGUBAFGC-FQEVSTJZSA-N 1 0 374.504 3.131 50 0 FGAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)N[C@H](C)c3ccccc3)cc2C1 ZINC000082127334 519723292 /nfs/dbraw/zinc/72/32/92/519723292.db2.gz ZOQUABCYMZRROO-QGZVFWFLSA-N 1 0 369.513 3.305 50 0 FGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)[C@@H]3C(C)=C3c3ccccc3)cc2C1 ZINC000082106216 519854755 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362.518 3.316 50 0 FGAARO COCc1cc(C[NH+]2CCC3(CC(=O)N(CC(C)C)C3)CC2)ccc1OC ZINC000091440838 522919180 /nfs/dbraw/zinc/91/91/80/522919180.db2.gz MYGCHESJLIHAQW-UHFFFAOYSA-N 1 0 374.525 3.312 50 0 FGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000020909673 523352321 /nfs/dbraw/zinc/35/23/21/523352321.db2.gz LRDCIWGXAYOVAN-NRFANRHFSA-N 1 0 354.494 3.154 50 0 FGAARO C[N@@H+]1CC[C@H](CNc2nccc(-c3cnn(-c4ccc(Cl)cc4)c3)n2)C1 ZINC000019852170 523981698 /nfs/dbraw/zinc/98/16/98/523981698.db2.gz YABVMJLHJLGEDJ-CQSZACIVSA-N 1 0 368.872 3.346 50 0 FGAARO COc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CCCC3)s2)cc1 ZINC000020576504 524073277 /nfs/dbraw/zinc/07/32/77/524073277.db2.gz DZZDWMUQOLQTJY-UHFFFAOYSA-N 1 0 369.494 3.227 50 0 FGAARO Cc1cc(C)c(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000019901412 524310971 /nfs/dbraw/zinc/31/09/71/524310971.db2.gz AQDRJFLWZNWDBY-OAQYLSRUSA-N 1 0 372.484 3.313 50 0 FGAARO Cc1ccc(Cc2ccccc2C(=O)NCc2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000082096163 524691804 /nfs/dbraw/zinc/69/18/04/524691804.db2.gz VJBAGMXHMJXPHL-UHFFFAOYSA-N 1 0 374.488 3.206 50 0 FGAARO C[C@H](NC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1)c1ccccc1Cl ZINC000089905817 524964348 /nfs/dbraw/zinc/96/43/48/524964348.db2.gz TXWBLUINTJLYJJ-LIRRHRJNSA-N 1 0 352.906 3.438 50 0 FGAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)C1 ZINC000156573932 525022225 /nfs/dbraw/zinc/02/22/25/525022225.db2.gz XKJXTOUJRYYCDZ-OCCSQVGLSA-N 1 0 366.387 3.091 50 0 FGAARO c1nnc(CC2CC[NH+](Cc3cccc4nonc43)CC2)n1-c1ccccc1 ZINC000082098662 526622990 /nfs/dbraw/zinc/62/29/90/526622990.db2.gz SEOFQWKMGZVYEA-UHFFFAOYSA-N 1 0 374.448 3.258 50 0 FGAARO Cc1nc(COc2ccccc2/C=C/C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cs1 ZINC000153330919 526909579 /nfs/dbraw/zinc/90/95/79/526909579.db2.gz HFJZILMSNSRHNV-WNJITKBNSA-N 1 0 371.506 3.253 50 0 FGAARO O=C(COc1ccc(F)cc1F)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000091503618 526962521 /nfs/dbraw/zinc/96/25/21/526962521.db2.gz PSTGLRORVBIZIO-CQSZACIVSA-N 1 0 366.433 3.186 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccco2)CC1)c1cc(-c2ccccc2F)n[nH]1 ZINC000091625993 527533191 /nfs/dbraw/zinc/53/31/91/527533191.db2.gz RQNWEBDAFDGGPX-UHFFFAOYSA-N 1 0 368.412 3.203 50 0 FGAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000007255765 535122197 /nfs/dbraw/zinc/12/21/97/535122197.db2.gz SIRHGQXNABWYAR-QFIPXVFZSA-N 1 0 367.493 3.449 50 0 FGAARO CCCN1CCC[N@@H+](C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000063856306 535359292 /nfs/dbraw/zinc/35/92/92/535359292.db2.gz ARBWEZGPBDUQOL-UHFFFAOYSA-N 1 0 367.541 3.259 50 0 FGAARO C[NH+](C)C[C@]1(O)CCCN(c2ccnc3c2cccc3C(F)(F)F)C1 ZINC000072424254 535974897 /nfs/dbraw/zinc/97/48/97/535974897.db2.gz NWLGOYFMJNBEAK-QGZVFWFLSA-N 1 0 353.388 3.147 50 0 FGAARO O=C(c1ccccc1-c1ccccc1)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000222704745 568555527 /nfs/dbraw/zinc/55/55/27/568555527.db2.gz FRJDGFMKJAJGOE-FQEVSTJZSA-N 1 0 364.489 3.272 50 0 FGAARO Cc1nc2cc(CNC(=O)N(CC[NH+](C)C)Cc3ccsc3)ccc2[nH]1 ZINC000584884589 570644140 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CCc1oc(C(=O)N2CC(Oc3ccc(F)cc3)C2)cc1C[NH+]1CCCC1 ZINC000426470770 571226815 /nfs/dbraw/zinc/22/68/15/571226815.db2.gz CJHDFZXNBUVMKM-UHFFFAOYSA-N 1 0 372.440 3.480 50 0 FGAARO CC(C)[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc2ccccc2o1 ZINC000170066042 571261578 /nfs/dbraw/zinc/26/15/78/571261578.db2.gz SLBJXZFXVZRWAH-CRAIPNDOSA-N 1 0 350.484 3.144 50 0 FGAARO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)ccn1 ZINC000584886166 571313885 /nfs/dbraw/zinc/31/38/85/571313885.db2.gz ANMQOHIXIYBNCJ-IBGZPJMESA-N 1 0 353.466 3.437 50 0 FGAARO Fc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4nccs4)C3)CC2)cc1 ZINC000022914279 695658466 /nfs/dbraw/zinc/65/84/66/695658466.db2.gz BOSMBOIQINDTMA-SFHVURJKSA-N 1 0 360.502 3.069 50 0 FGAARO O[C@H](C[NH+]1CCC(c2nnc3ccccn32)CC1)c1ccccc1Cl ZINC000112337186 700558836 /nfs/dbraw/zinc/55/88/36/700558836.db2.gz CTKHPLMCNIWTCK-QGZVFWFLSA-N 1 0 356.857 3.296 50 0 FGAARO CC1(C)OCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000660514637 720064934 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O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1ccc(F)cc1 ZINC000067676357 221269103 /nfs/dbraw/zinc/26/91/03/221269103.db2.gz YLDMTTMMQCEOGZ-NRFANRHFSA-N 1 0 362.489 3.239 50 0 FGAARO Cc1ccccc1C[N@@H+](C)C[C@@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000067675626 221269756 /nfs/dbraw/zinc/26/97/56/221269756.db2.gz WNVOJAOPTKFNOA-QHCPKHFHSA-N 1 0 366.505 3.023 50 0 FGAARO C[C@@H](CNc1nc(-c2ccccc2)nc2c1CC[NH2+]C2)Oc1cccnc1 ZINC000067818499 221289806 /nfs/dbraw/zinc/28/98/06/221289806.db2.gz HFEMLRNMPNXNTI-HNNXBMFYSA-N 1 0 361.449 3.064 50 0 FGAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000067754727 221280995 /nfs/dbraw/zinc/28/09/95/221280995.db2.gz CLZZUTIKGVYHKJ-SFHVURJKSA-N 1 0 365.477 3.497 50 0 FGAARO c1cn2cc(CNc3nc(-c4ccccc4)nc4c3CC[NH2+]C4)nc2s1 ZINC000067895760 221302322 /nfs/dbraw/zinc/30/23/22/221302322.db2.gz OYWYISREQIVGGE-UHFFFAOYSA-N 1 0 362.462 3.111 50 0 FGAARO O=C(c1cncc(Oc2ccc(C[NH+]3CCCC3)cc2F)n1)N1CCCC1 ZINC000067974447 221310097 /nfs/dbraw/zinc/31/00/97/221310097.db2.gz 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Cc1cc(CC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)on1 ZINC000071759799 221367118 /nfs/dbraw/zinc/36/71/18/221367118.db2.gz CLVNHFKPKQBLCB-FQEVSTJZSA-N 1 0 373.472 3.424 50 0 FGAARO CC(C)[C@H]1CN(C(=O)c2ccccc2-c2nc[nH]n2)CCC[N@@H+]1CC1CC1 ZINC000071760993 221368392 /nfs/dbraw/zinc/36/83/92/221368392.db2.gz FTWHYTVBCSCSAF-LJQANCHMSA-N 1 0 367.497 3.054 50 0 FGAARO CSc1ccc(-c2nc(CN3C[C@H](O)[C@@H]([NH+]4CCCC4)C3)c(C)o2)cc1 ZINC000071712054 221355800 /nfs/dbraw/zinc/35/58/00/221355800.db2.gz XXDGXZBVJKUDGT-OALUTQOASA-N 1 0 373.522 3.013 50 0 FGAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)C1 ZINC000071775921 221375194 /nfs/dbraw/zinc/37/51/94/221375194.db2.gz ZZOJHCGZGKREIV-MRXNPFEDSA-N 1 0 371.481 3.233 50 0 FGAARO C[C@H](CNC(=O)COc1ccc2c(c1)CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000071800841 221378025 /nfs/dbraw/zinc/37/80/25/221378025.db2.gz XBZIWPCRBTYECL-QGZVFWFLSA-N 1 0 364.489 3.117 50 0 FGAARO c1ccc(CCCc2noc(-c3ccc(NC4CC[NH2+]CC4)nc3)n2)cc1 ZINC000072154976 221432995 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CCC1=NO[C@H](C[NH2+]C2CCN(c3nc(C)nc4sccc43)CC2)C1 ZINC000096149806 132220777 /nfs/dbraw/zinc/22/07/77/132220777.db2.gz DYBMVWBZFPTLTG-HNNXBMFYSA-N 1 0 359.499 3.113 50 0 FGAARO C[C@H](c1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1)[NH+]1CCCCC1 ZINC000097294788 132228435 /nfs/dbraw/zinc/22/84/35/132228435.db2.gz QAZNPKVZLBWTCO-GOSISDBHSA-N 1 0 365.525 3.442 50 0 FGAARO CC1(C)C[C@@H]([NH2+]C2CCN(c3ccc(-n4ccnc4)cc3)CC2)CCO1 ZINC000063832728 136132980 /nfs/dbraw/zinc/13/29/80/136132980.db2.gz DXCRIJFPEWOHHR-SFHVURJKSA-N 1 0 354.498 3.388 50 0 FGAARO OCC[C@@H]1CN(c2cccc(C(F)(F)F)n2)CC[N@@H+]1C1CCCCC1 ZINC000072407204 136145097 /nfs/dbraw/zinc/14/50/97/136145097.db2.gz MGEXGBZTUWZENK-OAHLLOKOSA-N 1 0 357.420 3.306 50 0 FGAARO CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000023211920 136152394 /nfs/dbraw/zinc/15/23/94/136152394.db2.gz SRIMSHKCGBOIOQ-HXUWFJFHSA-N 1 0 374.912 3.464 50 0 FGAARO c1coc(-c2cccc(N3CCC([NH2+]CCSc4c[nH]nn4)CC3)c2)c1 ZINC000023505207 136153020 /nfs/dbraw/zinc/15/30/20/136153020.db2.gz JCVHIBHUDDGCAJ-UHFFFAOYSA-N 1 0 369.494 3.415 50 0 FGAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CC[C@@](O)(CO)C2)c1 ZINC000072473183 221545402 /nfs/dbraw/zinc/54/54/02/221545402.db2.gz WNADBZLQOZSXBA-QHCPKHFHSA-N 1 0 362.473 3.448 50 0 FGAARO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCc3c[nH]c4ncccc34)CC2)C1 ZINC000075495611 221582590 /nfs/dbraw/zinc/58/25/90/221582590.db2.gz MTXOQWMXSYMLKV-MRXNPFEDSA-N 1 0 354.498 3.076 50 0 FGAARO Cc1cc(N[C@@H](CC[NH+](C)C)C(C)(C)C)n2nc(C(F)(F)F)nc2n1 ZINC000089595951 221741015 /nfs/dbraw/zinc/74/10/15/221741015.db2.gz XRKDYSBGQAWROM-NSHDSACASA-N 1 0 358.412 3.230 50 0 FGAARO O=C(NCc1nncn1C1CCCCC1)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095363816 221864776 /nfs/dbraw/zinc/86/47/76/221864776.db2.gz OYJSVGDVOQOFHY-SFHVURJKSA-N 1 0 367.497 3.180 50 0 FGAARO C[NH+](C)CC(C)(C)CNC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000095367437 221868480 /nfs/dbraw/zinc/86/84/80/221868480.db2.gz QPXTUYQMNMYKPN-UHFFFAOYSA-N 1 0 368.456 3.458 50 0 FGAARO COc1ccc(CNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)cc1OC ZINC000095372788 221876979 /nfs/dbraw/zinc/87/69/79/221876979.db2.gz JARCGYABRBFDJH-GOSISDBHSA-N 1 0 354.450 3.101 50 0 FGAARO COc1ccc(N(C(C)=O)C2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC000096281063 222109575 /nfs/dbraw/zinc/10/95/75/222109575.db2.gz OWFLJSBIFYCNST-UHFFFAOYSA-N 1 0 369.465 3.116 50 0 FGAARO COC(=O)c1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000096136072 222040055 /nfs/dbraw/zinc/04/00/55/222040055.db2.gz PQZQFYCDQCJUKE-ZDUSSCGKSA-N 1 0 353.850 3.075 50 0 FGAARO CNc1nc(C(=O)N2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)cs1 ZINC000096162320 222061962 /nfs/dbraw/zinc/06/19/62/222061962.db2.gz ZAWPCESCKSUWKQ-MRXNPFEDSA-N 1 0 370.522 3.279 50 0 FGAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)Nc1cccc(-c2cccc(F)c2)c1 ZINC000096165082 222065386 /nfs/dbraw/zinc/06/53/86/222065386.db2.gz RKWXQASOVFCJDR-FQEVSTJZSA-N 1 0 371.456 3.461 50 0 FGAARO COc1ccc(CN(Cc2ccccn2)C(=O)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000097294950 222172859 /nfs/dbraw/zinc/17/28/59/222172859.db2.gz OIIDRWFJJCHYLO-IBGZPJMESA-N 1 0 353.466 3.103 50 0 FGAARO CN(CC(=O)N1CCCCCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000106627565 222386708 /nfs/dbraw/zinc/38/67/08/222386708.db2.gz VWCOMFJMHZTMIO-SJLPKXTDSA-N 1 0 371.308 3.286 50 0 FGAARO CS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000107064447 222390093 /nfs/dbraw/zinc/39/00/93/222390093.db2.gz LGVIGLDCYPUSSO-DZGCQCFKSA-N 1 0 358.454 3.120 50 0 FGAARO COc1ccc2ccccc2c1CNC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000426374150 263569251 /nfs/dbraw/zinc/56/92/51/263569251.db2.gz JEBOWDGVTTUDSR-QGZVFWFLSA-N 1 0 355.482 3.474 50 0 FGAARO CC(=O)c1cc(-c2ccc(C(=O)N3CCC[C@@H]([NH3+])CC3)cc2)ccc1O ZINC000426552368 263634682 /nfs/dbraw/zinc/63/46/82/263634682.db2.gz RQYWBOXUNMROST-GOSISDBHSA-N 1 0 352.434 3.215 50 0 FGAARO CN(CCC[C@H]1CCCO1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000426667671 263654152 /nfs/dbraw/zinc/65/41/52/263654152.db2.gz VUVBTEHZTIMNNI-NRFANRHFSA-N 1 0 373.541 3.499 50 0 FGAARO COc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c(OC)c1 ZINC000057615730 493778388 /nfs/dbraw/zinc/77/83/88/493778388.db2.gz KDOFAUSHQHHLEF-LJQANCHMSA-N 1 0 354.450 3.271 50 0 FGAARO CCOc1ccccc1C(=O)NCC1([NH+]2CCN(CC)CC2)CCCCC1 ZINC000028292927 493783801 /nfs/dbraw/zinc/78/38/01/493783801.db2.gz YGTKBUSFMKESCS-UHFFFAOYSA-N 1 0 373.541 3.156 50 0 FGAARO O[C@H](C[NH2+]C1CCCCC1)COCCOc1ccc(Br)cc1 ZINC000002082537 493801154 /nfs/dbraw/zinc/80/11/54/493801154.db2.gz IISTYBPUMYPTGK-MRXNPFEDSA-N 1 0 372.303 3.128 50 0 FGAARO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000048254962 493808648 /nfs/dbraw/zinc/80/86/48/493808648.db2.gz SJLGEBZTXOLWCM-UHFFFAOYSA-N 1 0 360.502 3.443 50 0 FGAARO COc1cc(C[NH2+]CCO)cc(Br)c1OCc1cccs1 ZINC000002478128 493809810 /nfs/dbraw/zinc/80/98/10/493809810.db2.gz FUIORPCEDWTNJM-UHFFFAOYSA-N 1 0 372.284 3.180 50 0 FGAARO Cc1cc(NC(=O)[C@@H](C)Nc2ccc(CC[NH+]3CCSCC3)cc2)on1 ZINC000057958246 493816844 /nfs/dbraw/zinc/81/68/44/493816844.db2.gz GOFWEZVCWNJJSZ-OAHLLOKOSA-N 1 0 374.510 3.013 50 0 FGAARO Cc1ccc2nc(-c3ccncc3)cc(C(=O)NC3CC[NH+](C)CC3)c2c1 ZINC000002867747 493822799 /nfs/dbraw/zinc/82/27/99/493822799.db2.gz WVNRXNZFRMDZMN-UHFFFAOYSA-N 1 0 360.461 3.429 50 0 FGAARO CCOC(=O)c1ccc(NC(=S)N2CCC([N@H+](C)C(C)C)CC2)cc1 ZINC000003042012 493829051 /nfs/dbraw/zinc/82/90/51/493829051.db2.gz QSWCVSGVNKNHAR-UHFFFAOYSA-N 1 0 363.527 3.365 50 0 FGAARO CC1CC[NH+](C[C@@H](O)COc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000058161922 493829250 /nfs/dbraw/zinc/82/92/50/493829250.db2.gz UJOCVBXSHAYUPH-QGZVFWFLSA-N 1 0 358.438 3.004 50 0 FGAARO COc1ccc(S[C@H](C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000058197998 493831777 /nfs/dbraw/zinc/83/17/77/493831777.db2.gz DBXFSLOWSSAKNL-HZPDHXFCSA-N 1 0 350.528 3.412 50 0 FGAARO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058192492 493831829 /nfs/dbraw/zinc/83/18/29/493831829.db2.gz AFWFFAKCAVBMPH-KRWDZBQOSA-N 1 0 364.536 3.080 50 0 FGAARO COc1ccccc1N1CC[C@H](C[NH2+]Cc2cccc(OC)c2OC)C1 ZINC000058213881 493833769 /nfs/dbraw/zinc/83/37/69/493833769.db2.gz MLQNTASHKZFBTM-MRXNPFEDSA-N 1 0 356.466 3.329 50 0 FGAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)CC1 ZINC000058218603 493835142 /nfs/dbraw/zinc/83/51/42/493835142.db2.gz HGUSBYMDLQGSTG-KRWDZBQOSA-N 1 0 368.477 3.377 50 0 FGAARO O[C@@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCN(c2ccccc2)CC1 ZINC000029630443 493848831 /nfs/dbraw/zinc/84/88/31/493848831.db2.gz NATKMSYAHQPMBP-GGAORHGYSA-N 1 0 366.505 3.264 50 0 FGAARO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)o2)c1 ZINC000048985867 493855722 /nfs/dbraw/zinc/85/57/22/493855722.db2.gz PVENLPDWBBTJNZ-HNNXBMFYSA-N 1 0 357.454 3.246 50 0 FGAARO Cc1ccc(C(=O)NCCn2cc(SC(N)=[NH2+])c3ccccc32)cc1 ZINC000003866094 493858988 /nfs/dbraw/zinc/85/89/88/493858988.db2.gz ZREVDJBEFPQOQN-UHFFFAOYSA-N 1 0 352.463 3.365 50 0 FGAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000029838879 493860967 /nfs/dbraw/zinc/86/09/67/493860967.db2.gz ADRVYINXOOJNSX-UHFFFAOYSA-N 1 0 374.282 3.022 50 0 FGAARO C[NH+](C)CCCNC(=O)c1cc(C(=O)c2cccc(Cl)c2Cl)c[nH]1 ZINC000004085173 493864390 /nfs/dbraw/zinc/86/43/90/493864390.db2.gz FNMLNEMTPXXWQJ-UHFFFAOYSA-N 1 0 368.264 3.234 50 0 FGAARO CCCOc1ccc(NC(=O)CCCC(=O)NCC[NH+](CC)CC)cc1 ZINC000004681514 493887099 /nfs/dbraw/zinc/88/70/99/493887099.db2.gz TZVSAYKTFQRURT-UHFFFAOYSA-N 1 0 363.502 3.042 50 0 FGAARO CC(=O)O[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000005495593 493933532 /nfs/dbraw/zinc/93/35/32/493933532.db2.gz YWJNGWKXUVMJKN-NRFANRHFSA-N 1 0 366.461 3.072 50 0 FGAARO COc1cccc(C[NH+]2CCC(NC(=O)N(C)C(C3CC3)C3CC3)CC2)c1 ZINC000051275669 493958340 /nfs/dbraw/zinc/95/83/40/493958340.db2.gz CNHDSOGMANFKAM-UHFFFAOYSA-N 1 0 371.525 3.490 50 0 FGAARO CCc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1 ZINC000006755763 493977771 /nfs/dbraw/zinc/97/77/71/493977771.db2.gz AYYKPDZPPZXDBG-UHFFFAOYSA-N 1 0 353.495 3.497 50 0 FGAARO COc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)cc1C ZINC000082087450 493978160 /nfs/dbraw/zinc/97/81/60/493978160.db2.gz 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FGAARO Cc1ccc(CN2CC[C@H]3[N@H+](Cc4ccoc4)CCC[C@]3(CO)C2)s1 ZINC000072166484 494142124 /nfs/dbraw/zinc/14/21/24/494142124.db2.gz KNKWGPHEPRKYMH-WOJBJXKFSA-N 1 0 360.523 3.499 50 0 FGAARO CCOc1cc(C[NH2+]CCCCO)cc(Br)c1OC(C)C ZINC000040744241 494146176 /nfs/dbraw/zinc/14/61/76/494146176.db2.gz JRGIAOWHGTUWJG-UHFFFAOYSA-N 1 0 360.292 3.497 50 0 FGAARO CN1CC2(CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)OC1=O ZINC000072420930 494168908 /nfs/dbraw/zinc/16/89/08/494168908.db2.gz IOKVEXDEXFGHCD-UHFFFAOYSA-N 1 0 360.845 3.147 50 0 FGAARO Cc1nc[nH]c1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1 ZINC000072429844 494172607 /nfs/dbraw/zinc/17/26/07/494172607.db2.gz NCBGXQRXBOGSDJ-AZUAARDMSA-N 1 0 356.514 3.422 50 0 FGAARO Cc1ccc(CCN2C(=O)CC[C@H]3C[N@@H+](Cc4ccccn4)CC[C@H]32)o1 ZINC000072435905 494174580 /nfs/dbraw/zinc/17/45/80/494174580.db2.gz JQSBBPHQVVCTTA-FXAWDEMLSA-N 1 0 353.466 3.039 50 0 FGAARO O[C@H]1C[N@H+](Cc2ccccc2-c2ccco2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000072454151 494176573 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COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCO)c(C)o2)c(OC)c1 ZINC000012431565 494231661 /nfs/dbraw/zinc/23/16/61/494231661.db2.gz SLAASPZTPKPZIL-HNNXBMFYSA-N 1 0 360.454 3.404 50 0 FGAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3cn(C)nc3C)C2)cc1C ZINC000012439040 494233327 /nfs/dbraw/zinc/23/33/27/494233327.db2.gz KYFOTAPMJGNFQS-KRWDZBQOSA-N 1 0 355.482 3.449 50 0 FGAARO COC(=O)c1ccccc1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000012583847 494243873 /nfs/dbraw/zinc/24/38/73/494243873.db2.gz DWJSVNVAOVIAEV-SFHVURJKSA-N 1 0 366.461 3.210 50 0 FGAARO Cc1ncoc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012575678 494244179 /nfs/dbraw/zinc/24/41/79/494244179.db2.gz NOCVXMAXLDBGOY-SFHVURJKSA-N 1 0 355.482 3.318 50 0 FGAARO Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000012702235 494252103 /nfs/dbraw/zinc/25/21/03/494252103.db2.gz KINNLGJQQCSEHX-FQEVSTJZSA-N 1 0 368.525 3.093 50 0 FGAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+]CCCN3CCCC3=O)c2)cc1 ZINC000012796226 494259774 /nfs/dbraw/zinc/25/97/74/494259774.db2.gz BDBJGDIEYOAZAF-UHFFFAOYSA-N 1 0 365.477 3.349 50 0 FGAARO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000012809442 494261701 /nfs/dbraw/zinc/26/17/01/494261701.db2.gz VFBYEAOEHZYFIT-NSHDSACASA-N 1 0 350.415 3.353 50 0 FGAARO CC(C)[C@H](C)[N@H+](Cc1ccco1)Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000055167979 494309811 /nfs/dbraw/zinc/30/98/11/494309811.db2.gz BQPNCLWZGLCJPD-HNNXBMFYSA-N 1 0 368.499 3.311 50 0 FGAARO CC(C)COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000014857430 494327657 /nfs/dbraw/zinc/32/76/57/494327657.db2.gz XWSXLMCNHMQLNO-UHFFFAOYSA-N 1 0 368.481 3.121 50 0 FGAARO Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c12 ZINC000055414864 494340713 /nfs/dbraw/zinc/34/07/13/494340713.db2.gz LBQQCNOZISXXSQ-AWEZNQCLSA-N 1 0 369.513 3.148 50 0 FGAARO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000055568878 494362613 /nfs/dbraw/zinc/36/26/13/494362613.db2.gz RQHBATRSVGVNHZ-AWEZNQCLSA-N 1 0 369.396 3.465 50 0 FGAARO CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000016334703 494383432 /nfs/dbraw/zinc/38/34/32/494383432.db2.gz VNKWMEKQUPXWIT-KKSFZXQISA-N 1 0 360.498 3.393 50 0 FGAARO Brc1cnc2[nH]c(NCC[N@@H+]3CCc4ccccc4C3)nc2c1 ZINC000079023838 494393875 /nfs/dbraw/zinc/39/38/75/494393875.db2.gz PJLSGPLSAHCWTA-UHFFFAOYSA-N 1 0 372.270 3.191 50 0 FGAARO CCCC(=O)Nc1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000079093456 494402591 /nfs/dbraw/zinc/40/25/91/494402591.db2.gz UEHQGXHMFXQFKR-UHFFFAOYSA-N 1 0 369.465 3.413 50 0 FGAARO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000045233513 494408741 /nfs/dbraw/zinc/40/87/41/494408741.db2.gz SHGQBUXKZFRDJE-CZUORRHYSA-N 1 0 351.491 3.394 50 0 FGAARO O[C@@H](COc1ccc2ccccc2c1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019537648 494449045 /nfs/dbraw/zinc/44/90/45/494449045.db2.gz ZHRCZANNCYDLNV-JOCHJYFZSA-N 1 0 362.473 3.402 50 0 FGAARO CC[C@H](OC[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000022870642 494540051 /nfs/dbraw/zinc/54/00/51/494540051.db2.gz NUSRKGCTOQJRPV-GOTSBHOMSA-N 1 0 368.521 3.333 50 0 FGAARO O[C@@H](COc1cccc2ccccc21)C[NH+]1CCN(c2ccccc2)CC1 ZINC000023118752 494550334 /nfs/dbraw/zinc/55/03/34/494550334.db2.gz FJGNASVMAWJPOS-OAQYLSRUSA-N 1 0 362.473 3.402 50 0 FGAARO O=C1NCCCC[C@@H]1[NH2+]C1CCN(c2ccc(-c3cscn3)cc2)CC1 ZINC000023153579 494553585 /nfs/dbraw/zinc/55/35/85/494553585.db2.gz DIPYOKPSWKUOCS-SFHVURJKSA-N 1 0 370.522 3.037 50 0 FGAARO CCCO[C@H]1CCCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000067530855 494559731 /nfs/dbraw/zinc/55/97/31/494559731.db2.gz RVCBMFKVPMCDFE-NRFANRHFSA-N 1 0 373.541 3.294 50 0 FGAARO O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1CC[NH+](CC2CC2)CC1 ZINC000056785224 494562671 /nfs/dbraw/zinc/56/26/71/494562671.db2.gz UGCWTPLOPFNLRB-SFHVURJKSA-N 1 0 373.497 3.194 50 0 FGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)N3CCOCC3)CC2)C1 ZINC000091288858 494578527 /nfs/dbraw/zinc/57/85/27/494578527.db2.gz VUYLAXCCDFZTEQ-HXUWFJFHSA-N 1 0 371.525 3.030 50 0 FGAARO O=c1cc(C[NH2+]Cc2ccccc2-n2cncn2)[nH]c2c(Cl)cccc12 ZINC000091441074 494599335 /nfs/dbraw/zinc/59/93/35/494599335.db2.gz SZSPVOOIROKITL-UHFFFAOYSA-N 1 0 365.824 3.052 50 0 FGAARO CC[NH+]1CCC(CNC(=O)c2cccc(OCc3c(C)noc3C)c2)CC1 ZINC000056999954 494613045 /nfs/dbraw/zinc/61/30/45/494613045.db2.gz FEPXNNCITGLXDB-UHFFFAOYSA-N 1 0 371.481 3.332 50 0 FGAARO OC[C@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1C[NH+]1CCCCCC1 ZINC000091595734 494623873 /nfs/dbraw/zinc/62/38/73/494623873.db2.gz HZPIKALWGWXTEF-IAGOWNOFSA-N 1 0 354.897 3.395 50 0 FGAARO c1cn(Cc2nnc(C3CC[NH+](C4CCCCC4)CC3)n2C2CC2)cn1 ZINC000091644276 494636228 /nfs/dbraw/zinc/63/62/28/494636228.db2.gz CORVNYPUDNPPSR-UHFFFAOYSA-N 1 0 354.502 3.370 50 0 FGAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000091645120 494636797 /nfs/dbraw/zinc/63/67/97/494636797.db2.gz MXBFVUHSUGLGTH-UHFFFAOYSA-N 1 0 369.509 3.156 50 0 FGAARO [NH3+][C@H]1CN(C(=O)Cc2ccccc2OCc2ccccc2)C[C@@H]1C1CC1 ZINC000091769679 494673010 /nfs/dbraw/zinc/67/30/10/494673010.db2.gz CRCAUZYDEDMIMC-UXHICEINSA-N 1 0 350.462 3.004 50 0 FGAARO O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)N1CCCCC1 ZINC000075105983 494690325 /nfs/dbraw/zinc/69/03/25/494690325.db2.gz RWPYOZNVPOHTKZ-SJORKVTESA-N 1 0 350.528 3.429 50 0 FGAARO CC[NH+](CC)CCN(CCC(F)(F)F)Cc1nc(-c2ccco2)no1 ZINC000075108157 494691324 /nfs/dbraw/zinc/69/13/24/494691324.db2.gz BOGVVTGZJINARA-UHFFFAOYSA-N 1 0 360.380 3.426 50 0 FGAARO Cc1c2ccc(C)cc2oc1C(=O)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000091846098 494702355 /nfs/dbraw/zinc/70/23/55/494702355.db2.gz IDUKPWFYJABERC-KRWDZBQOSA-N 1 0 356.466 3.377 50 0 FGAARO O=c1cc(C[N@@H+]2CCC[C@H](OCc3ccccn3)C2)[nH]c2ccc(F)cc12 ZINC000091849241 494704850 /nfs/dbraw/zinc/70/48/50/494704850.db2.gz CPBWPWQNBOKBAF-SFHVURJKSA-N 1 0 367.424 3.243 50 0 FGAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(F)c1)CC2 ZINC000091858464 494708147 /nfs/dbraw/zinc/70/81/47/494708147.db2.gz PZEHEGAMWIPXHP-UHFFFAOYSA-N 1 0 370.472 3.194 50 0 FGAARO Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)s1 ZINC000091914675 494719266 /nfs/dbraw/zinc/71/92/66/494719266.db2.gz VXJSEXFYMLNLJH-RTBURBONSA-N 1 0 369.534 3.425 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1cccc(Nc2ncccn2)c1)c1ccsc1 ZINC000025332435 494725774 /nfs/dbraw/zinc/72/57/74/494725774.db2.gz BAEDYCQHDJSBHD-QGZVFWFLSA-N 1 0 367.478 3.314 50 0 FGAARO COc1cc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc2c1OCCO2 ZINC000025355152 494727545 /nfs/dbraw/zinc/72/75/45/494727545.db2.gz PEEPDMFBTIIEBI-QGZVFWFLSA-N 1 0 372.465 3.376 50 0 FGAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000025359237 494727736 /nfs/dbraw/zinc/72/77/36/494727736.db2.gz KNOAJIPTAJBLOP-GOSISDBHSA-N 1 0 352.434 3.103 50 0 FGAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000092004140 494750133 /nfs/dbraw/zinc/75/01/33/494750133.db2.gz NGNUHSAQALBKRW-UHFFFAOYSA-N 1 0 364.497 3.231 50 0 FGAARO O=C(c1ncc(F)cc1F)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000092061566 494771154 /nfs/dbraw/zinc/77/11/54/494771154.db2.gz USWJYEQHMGAJBK-DOTOQJQBSA-N 1 0 357.404 3.096 50 0 FGAARO C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)C(=O)NC(=O)NC1CCCC1 ZINC000025898666 494786269 /nfs/dbraw/zinc/78/62/69/494786269.db2.gz DJFASNXXBJLHIK-MRXNPFEDSA-N 1 0 357.498 3.245 50 0 FGAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000027793206 494885178 /nfs/dbraw/zinc/88/51/78/494885178.db2.gz XTOVYJMJVBBSAK-HXUWFJFHSA-N 1 0 356.441 3.466 50 0 FGAARO COCCCN1CC2(CC1=O)CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000095354991 494961320 /nfs/dbraw/zinc/96/13/20/494961320.db2.gz COWIOGGIKJIPPW-DUXPYHPUSA-N 1 0 360.473 3.190 50 0 FGAARO CCn1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095360177 494963388 /nfs/dbraw/zinc/96/33/88/494963388.db2.gz GHEYOWXFGIZRMY-PWRODBHTSA-N 1 0 354.473 3.104 50 0 FGAARO Cc1ccc(-c2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(C(=O)N(C)C)C4)on2)cc1 ZINC000095361194 494963729 /nfs/dbraw/zinc/96/37/29/494963729.db2.gz DWRKEZYHPJEWQG-SJLPKXTDSA-N 1 0 368.481 3.228 50 0 FGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(C(F)(F)F)ccc1F)C2 ZINC000095363939 494964479 /nfs/dbraw/zinc/96/44/79/494964479.db2.gz LODLSTKYJIBHCH-XJKSGUPXSA-N 1 0 360.395 3.387 50 0 FGAARO Cc1c(Cl)cc(C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)cc1Cl ZINC000095363550 494964722 /nfs/dbraw/zinc/96/47/22/494964722.db2.gz MTQQIYGEELXWMM-UHFFFAOYSA-N 1 0 371.308 3.365 50 0 FGAARO O=C(NCc1ccc2c(c1)OCCCO2)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095363770 494964773 /nfs/dbraw/zinc/96/47/73/494964773.db2.gz IEXZXYBTYJRJHM-LJQANCHMSA-N 1 0 366.461 3.245 50 0 FGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1nc(-c3ccccc3)cs1)C2 ZINC000095365242 494965397 /nfs/dbraw/zinc/96/53/97/494965397.db2.gz ZOIOCJOJAVNXPI-FUHWJXTLSA-N 1 0 357.523 3.353 50 0 FGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000095367384 494965782 /nfs/dbraw/zinc/96/57/82/494965782.db2.gz YSMHYTQPVHNWSX-INIZCTEOSA-N 1 0 373.476 3.385 50 0 FGAARO CCN(CC[NH+](C)C)C(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000095373101 494967422 /nfs/dbraw/zinc/96/74/22/494967422.db2.gz WYWUWHXXBSNZSB-UHFFFAOYSA-N 1 0 354.429 3.164 50 0 FGAARO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2CCC[C@]3(CCOC3)C2)no1 ZINC000095371997 494968017 /nfs/dbraw/zinc/96/80/17/494968017.db2.gz MMYNTRGKYJWWAE-KRWDZBQOSA-N 1 0 350.850 3.039 50 0 FGAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000095377864 494969711 /nfs/dbraw/zinc/96/97/11/494969711.db2.gz CFDPFAYELYTGIT-UHFFFAOYSA-N 1 0 361.534 3.057 50 0 FGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000095378271 494969759 /nfs/dbraw/zinc/96/97/59/494969759.db2.gz TWDOVNMZHRGTGB-CYBMUJFWSA-N 1 0 366.918 3.179 50 0 FGAARO CN(Cc1ccc2nsnc2c1)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095392233 494973678 /nfs/dbraw/zinc/97/36/78/494973678.db2.gz AALHRDGUNKJEEY-KRWDZBQOSA-N 1 0 366.490 3.431 50 0 FGAARO C[NH+]1CCC(N(CC(=O)Nc2cc(F)ccc2F)Cc2ccccc2)CC1 ZINC000095446710 494975094 /nfs/dbraw/zinc/97/50/94/494975094.db2.gz UJKWQQSITZVZGX-UHFFFAOYSA-N 1 0 373.447 3.500 50 0 FGAARO CC(=O)Nc1ccc(F)c(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000095463199 494977118 /nfs/dbraw/zinc/97/71/18/494977118.db2.gz XGSUHYQJKBQTEV-AWEZNQCLSA-N 1 0 357.429 3.034 50 0 FGAARO COc1ccc([C@@H]2C[N@H+](Cc3ccc(NC(C)=O)cc3)C[C@H]2N(C)C)cc1 ZINC000095502753 494981236 /nfs/dbraw/zinc/98/12/36/494981236.db2.gz BQNHPDINENQZHG-FCHUYYIVSA-N 1 0 367.493 3.183 50 0 FGAARO Cc1ccc([C@@H]2CN(C(=O)CSc3ccncc3)C[C@H]2[NH+](C)C)cc1 ZINC000095511367 494983686 /nfs/dbraw/zinc/98/36/86/494983686.db2.gz XWYQYCSFYXKXGJ-RBUKOAKNSA-N 1 0 355.507 3.038 50 0 FGAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3ncoc3C)C2)cc1 ZINC000095519439 494985127 /nfs/dbraw/zinc/98/51/27/494985127.db2.gz QWPLZQJXCMNTJG-SFHVURJKSA-N 1 0 371.481 3.018 50 0 FGAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc[nH]c2C)C1 ZINC000095523716 494986471 /nfs/dbraw/zinc/98/64/71/494986471.db2.gz QZEIBWVKMCOUCR-SFHVURJKSA-N 1 0 369.509 3.358 50 0 FGAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCCCn1cc(Cl)cn1 ZINC000095522100 494986482 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Cc1ccccc1[C@H](CNC(=O)Nc1cnns1)[NH+]1CCC(C)CC1 ZINC000097527947 495037853 /nfs/dbraw/zinc/03/78/53/495037853.db2.gz BXXKLWOSWLPDGI-INIZCTEOSA-N 1 0 359.499 3.441 50 0 FGAARO COc1cc(Br)cc(C[NH2+]CCOc2ccccn2)c1OC ZINC000113395380 495302609 /nfs/dbraw/zinc/30/26/09/495302609.db2.gz GSLYJVOBAJEOBO-UHFFFAOYSA-N 1 0 367.243 3.030 50 0 FGAARO Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000170602027 495532506 /nfs/dbraw/zinc/53/25/06/495532506.db2.gz VBEXGDNPUBZXLG-LRDDRELGSA-N 1 0 356.470 3.252 50 0 FGAARO CCCn1c(C)nnc1SC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000170617593 495535616 /nfs/dbraw/zinc/53/56/16/495535616.db2.gz GMNSERBHDNUIAU-SFHVURJKSA-N 1 0 360.527 3.380 50 0 FGAARO CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000176220939 495551917 /nfs/dbraw/zinc/55/19/17/495551917.db2.gz LKFNTJYDFURWGM-IBGZPJMESA-N 1 0 373.541 3.295 50 0 FGAARO O=C(Cc1ccc(Cl)cc1Cl)NCCC[NH2+]Cc1cccnc1 ZINC000170676279 495558519 /nfs/dbraw/zinc/55/85/19/495558519.db2.gz 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C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3cnn(Cc4ccccc4)c3)cc2)C1 ZINC000426582849 500291671 /nfs/dbraw/zinc/29/16/71/500291671.db2.gz QQOOZKFHMMDGNV-OAQYLSRUSA-N 1 0 360.461 3.032 50 0 FGAARO [NH3+]CCCOc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1ccccn1 ZINC000426622890 500296249 /nfs/dbraw/zinc/29/62/49/500296249.db2.gz FGPFPEJREJRWIH-SFHVURJKSA-N 1 0 357.429 3.316 50 0 FGAARO Cc1cc(C)n(Cc2ccc(NC(=O)N3[C@@H]4CC[C@H]3C[N@H+](C)CC4)cc2)n1 ZINC000426651962 500301647 /nfs/dbraw/zinc/30/16/47/500301647.db2.gz FGYXJFOWWPEMRO-UXHICEINSA-N 1 0 367.497 3.249 50 0 FGAARO COC(=O)c1cccc(-c2ccc(C(=O)NCC[C@@H]3CCC[N@@H+]3C)cc2)c1 ZINC000426712278 500309758 /nfs/dbraw/zinc/30/97/58/500309758.db2.gz YMKMVLITKURECX-FQEVSTJZSA-N 1 0 366.461 3.354 50 0 FGAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-c2cnn(Cc3ccccc3)c2)cc1 ZINC000426739008 500313649 /nfs/dbraw/zinc/31/36/49/500313649.db2.gz GRZAEHSPAWSBPU-QGZVFWFLSA-N 1 0 360.461 3.032 50 0 FGAARO C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510216769 503072113 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O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000065889042 221238586 /nfs/dbraw/zinc/23/85/86/221238586.db2.gz YEYROPXXVFABIO-CYBMUJFWSA-N 1 0 353.390 3.034 50 0 FGAARO CC[C@@H]1CN(C(=O)c2cc(COc3ccccc3F)[nH]n2)CC[N@@H+]1C(C)C ZINC000067459800 221255349 /nfs/dbraw/zinc/25/53/49/221255349.db2.gz IWIMEKSRKPLRES-MRXNPFEDSA-N 1 0 374.460 3.073 50 0 FGAARO COc1cc2cc(C[N@@H+]3CCC[C@@H]3c3cc(C)no3)c(=O)[nH]c2cc1OC ZINC000067696119 221274135 /nfs/dbraw/zinc/27/41/35/221274135.db2.gz OJOSPCDXZZQEJI-MRXNPFEDSA-N 1 0 369.421 3.179 50 0 FGAARO CN(C)C(=O)CC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067820617 221289773 /nfs/dbraw/zinc/28/97/73/221289773.db2.gz GOUNIZLYTWMJBX-UHFFFAOYSA-N 1 0 374.868 3.385 50 0 FGAARO C[C@@H](CCC(=O)N1CCc2onc(-c3ccccc3)c2C1)[NH+]1CCCC1 ZINC000067757847 221282241 /nfs/dbraw/zinc/28/22/41/221282241.db2.gz GIWOYQPAKUPLAH-INIZCTEOSA-N 1 0 353.466 3.491 50 0 FGAARO C[NH+]1CCC2(CC1)CCCN(C(=O)CCc1ccc3c(c1)OCO3)CC2 ZINC000067783828 221284557 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FGAARO CC(C)[C@@H]1CN(C(=O)C2CCOCC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071750765 221362369 /nfs/dbraw/zinc/36/23/69/221362369.db2.gz CGYAXFVNJFTVPY-FQEVSTJZSA-N 1 0 362.489 3.311 50 0 FGAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccs3)CC2)C1)N1CCCC1 ZINC000071750820 221362530 /nfs/dbraw/zinc/36/25/30/221362530.db2.gz XYUMAHCFAKLYGM-KRWDZBQOSA-N 1 0 361.555 3.047 50 0 FGAARO CCn1cc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071757067 221366384 /nfs/dbraw/zinc/36/63/84/221366384.db2.gz MGPFTPCAOAZHQO-FQEVSTJZSA-N 1 0 372.488 3.301 50 0 FGAARO COc1ccccc1OCC(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071761075 221368369 /nfs/dbraw/zinc/36/83/69/221368369.db2.gz FOLRAJCEUKMNIC-GOSISDBHSA-N 1 0 360.498 3.043 50 0 FGAARO Cc1cc(N2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)cc[nH+]1 ZINC000091951215 132204973 /nfs/dbraw/zinc/20/49/73/132204973.db2.gz ACUPJRRKKGWRAZ-NRFANRHFSA-N 1 0 350.466 3.194 50 0 FGAARO Cc1cccc(N2CC[NH+](CCC(=O)NCc3ccc(F)c(F)c3)CC2)c1 ZINC000095374441 132208854 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Cn1ncc2c1nc(C1CCCC1)nc2N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000072133417 136142510 /nfs/dbraw/zinc/14/25/10/136142510.db2.gz OFKMWWFZHFEIRY-GOSISDBHSA-N 1 0 362.481 3.172 50 0 FGAARO Cc1c[nH+]ccc1N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072440643 136147623 /nfs/dbraw/zinc/14/76/23/136147623.db2.gz HRTVAOATNNBAGY-NRFANRHFSA-N 1 0 350.466 3.194 50 0 FGAARO Cc1cc(N2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)cc(C)[nH+]1 ZINC000072473673 136148993 /nfs/dbraw/zinc/14/89/93/136148993.db2.gz OKMIAEUSNDTHAI-SFHVURJKSA-N 1 0 368.529 3.197 50 0 FGAARO COCCCN1CC2(CC1=O)CC[NH+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000095368298 221869605 /nfs/dbraw/zinc/86/96/05/221869605.db2.gz FIZUMVMGDABQFT-KRWDZBQOSA-N 1 0 362.514 3.433 50 0 FGAARO Cc1ccn2cc(C[NH+]3CCC4(CC(=O)N(CC(C)C)C4)CC3)nc2c1 ZINC000091847050 221804825 /nfs/dbraw/zinc/80/48/25/221804825.db2.gz KQSORKPXKTTYNW-UHFFFAOYSA-N 1 0 354.498 3.113 50 0 FGAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc(-c2cc[nH]n2)cc1 ZINC000095387926 221893355 /nfs/dbraw/zinc/89/33/55/221893355.db2.gz YEUDDFVIWOCYBW-FQEVSTJZSA-N 1 0 360.461 3.296 50 0 FGAARO CCC[C@H](C[NH2+]Cc1cccc(OC)c1OC)NC(=O)OC(C)(C)C ZINC000095428428 221901474 /nfs/dbraw/zinc/90/14/74/221901474.db2.gz QAEJLWIMWJHMGW-OAHLLOKOSA-N 1 0 352.475 3.487 50 0 FGAARO Cc1cc(N2CCCN(C(=O)[C@@H]3CCOc4ccccc4C3)CC2)cc[nH+]1 ZINC000095517299 221942653 /nfs/dbraw/zinc/94/26/53/221942653.db2.gz HKZNXGPOEBQYOI-LJQANCHMSA-N 1 0 365.477 3.070 50 0 FGAARO Cc1nn(C)cc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000096159771 222059801 /nfs/dbraw/zinc/05/98/01/222059801.db2.gz BATIRQNYIQFPRR-IBGZPJMESA-N 1 0 355.486 3.467 50 0 FGAARO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000096997202 222148867 /nfs/dbraw/zinc/14/88/67/222148867.db2.gz FLFVCYLHCCDCIH-NRFANRHFSA-N 1 0 368.477 3.499 50 0 FGAARO COC[C@H](c1ccccn1)N(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097117446 222161588 /nfs/dbraw/zinc/16/15/88/222161588.db2.gz MQROZXWDPONKBS-HXUWFJFHSA-N 1 0 353.466 3.137 50 0 FGAARO Cc1nc2cc(C(=O)NCC[NH+]3CCC(c4ccccc4)CC3)ccc2[nH]1 ZINC000097610266 222198540 /nfs/dbraw/zinc/19/85/40/222198540.db2.gz KQTMNLOFRRJZEA-UHFFFAOYSA-N 1 0 362.477 3.481 50 0 FGAARO CCn1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cc1=O ZINC000097604222 222198574 /nfs/dbraw/zinc/19/85/74/222198574.db2.gz BOZBHRGUSOSINK-FQEVSTJZSA-N 1 0 367.493 3.215 50 0 FGAARO COCCc1nc([C@H]2CCC[NH2+]CC2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000097632149 222199785 /nfs/dbraw/zinc/19/97/85/222199785.db2.gz MLASRKZWKHVGFB-ZDUSSCGKSA-N 1 0 368.403 3.332 50 0 FGAARO Cc1nc(C)c(CC(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)s1 ZINC000097674301 222204657 /nfs/dbraw/zinc/20/46/57/222204657.db2.gz XAMRHYQNVWZXPR-KRWDZBQOSA-N 1 0 357.523 3.217 50 0 FGAARO COCCc1ccc(OCc2ccccc2-c2nc3c([nH]2)C[NH2+]CC3)cc1 ZINC000097831182 222215722 /nfs/dbraw/zinc/21/57/22/222215722.db2.gz MDKMGENHIFFVHK-UHFFFAOYSA-N 1 0 363.461 3.490 50 0 FGAARO CC(C)C[N@@H+]1CCN(Cc2ccc(OC(F)(F)F)cc2)C[C@H]1CCO ZINC000104454955 222358516 /nfs/dbraw/zinc/35/85/16/222358516.db2.gz ZELVXCFXIVDODD-MRXNPFEDSA-N 1 0 360.420 3.110 50 0 FGAARO Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)cc1OCC[NH3+] ZINC000426490562 263604832 /nfs/dbraw/zinc/60/48/32/263604832.db2.gz RKMRALAAHLPSTM-OAQYLSRUSA-N 1 0 361.445 3.247 50 0 FGAARO CCc1c(C)nn(CCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000426548774 263631639 /nfs/dbraw/zinc/63/16/39/263631639.db2.gz LONUFXFVDCEGQT-UHFFFAOYSA-N 1 0 354.498 3.088 50 0 FGAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2cccn3nc(C)nc23)s1 ZINC000426661892 263653318 /nfs/dbraw/zinc/65/33/18/263653318.db2.gz AYYRKQRUVARVDT-UHFFFAOYSA-N 1 0 372.498 3.003 50 0 FGAARO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCc2ccc(OC(F)F)cc2)CC1 ZINC000057608411 493777012 /nfs/dbraw/zinc/77/70/12/493777012.db2.gz OVNVOUHIRRMMKN-UHFFFAOYSA-N 1 0 369.456 3.346 50 0 FGAARO Cc1occc1C(=O)Nc1nc2ccccc2n1CC[NH+]1CCCCC1 ZINC000028305463 493785068 /nfs/dbraw/zinc/78/50/68/493785068.db2.gz FMCRYJXXMZMWIZ-UHFFFAOYSA-N 1 0 352.438 3.098 50 0 FGAARO COc1cc(C[N@H+](C)CCC(=O)Nc2cc(C)on2)ccc1OC(F)F ZINC000028637500 493794620 /nfs/dbraw/zinc/79/46/20/493794620.db2.gz ROZXVJQKTOOFOR-UHFFFAOYSA-N 1 0 369.368 3.054 50 0 FGAARO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000003367451 493841335 /nfs/dbraw/zinc/84/13/35/493841335.db2.gz OAYXQVJUZIYUKU-KRWDZBQOSA-N 1 0 367.367 3.438 50 0 FGAARO N=c1n(CC[NH+]2CCCCC2)c2ccccc2n1CC(=O)c1cccs1 ZINC000003864282 493858787 /nfs/dbraw/zinc/85/87/87/493858787.db2.gz MJHDJQNJJVZMOI-UHFFFAOYSA-N 1 0 368.506 3.353 50 0 FGAARO C[N@H+](CCO)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004718305 493889020 /nfs/dbraw/zinc/88/90/20/493889020.db2.gz DIAFQPGVESOYBV-CQSZACIVSA-N 1 0 367.276 3.386 50 0 FGAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC000004746301 493890909 /nfs/dbraw/zinc/89/09/09/493890909.db2.gz QROKWTDNZKOYDG-NRFANRHFSA-N 1 0 369.553 3.376 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)CC1 ZINC000004739884 493891331 /nfs/dbraw/zinc/89/13/31/493891331.db2.gz KZONWHQZVFGSHS-UHFFFAOYSA-N 1 0 373.884 3.499 50 0 FGAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1cccc1C(=O)c1ccccc1 ZINC000005142444 493915773 /nfs/dbraw/zinc/91/57/73/493915773.db2.gz XTGKIKCTUBCATN-GOSISDBHSA-N 1 0 367.493 3.100 50 0 FGAARO C[C@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000031106001 493924828 /nfs/dbraw/zinc/92/48/28/493924828.db2.gz XZINIUXZXQHISF-INIZCTEOSA-N 1 0 369.465 3.298 50 0 FGAARO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000005428521 493929873 /nfs/dbraw/zinc/92/98/73/493929873.db2.gz CYOSUPMMPXXNPU-SFHVURJKSA-N 1 0 367.836 3.286 50 0 FGAARO O=C(NC[C@@H](O)c1ccc(F)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000031320929 493938494 /nfs/dbraw/zinc/93/84/94/493938494.db2.gz FTZJOLCPCLAEIY-HXUWFJFHSA-N 1 0 356.441 3.275 50 0 FGAARO [NH3+]CCNc1nc(-c2ccc(Br)cc2)nnc1-c1ccccc1 ZINC000005775462 493943022 /nfs/dbraw/zinc/94/30/22/493943022.db2.gz MJFTXTJZJYCCOL-UHFFFAOYSA-N 1 0 370.254 3.339 50 0 FGAARO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc4c3OCCO4)CC2)s1 ZINC000051097987 493948697 /nfs/dbraw/zinc/94/86/97/493948697.db2.gz NNLPGKRXBLYORY-UHFFFAOYSA-N 1 0 372.490 3.222 50 0 FGAARO CCS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000051189185 493953421 /nfs/dbraw/zinc/95/34/21/493953421.db2.gz IXRYNBFBXSOXRT-UHFFFAOYSA-N 1 0 356.875 3.019 50 0 FGAARO O=C(CCN1CCC[N@H+](Cc2cccs2)CC1)Nc1cccc(F)c1 ZINC000051537663 493975021 /nfs/dbraw/zinc/97/50/21/493975021.db2.gz JEQUNRFSFGQDLM-UHFFFAOYSA-N 1 0 361.486 3.424 50 0 FGAARO CCc1c(C)nc(C)nc1NCc1cc2n(n1)CCC[N@H+](CC(C)C)C2 ZINC000082083255 493977563 /nfs/dbraw/zinc/97/75/63/493977563.db2.gz AHVSHSSQAPLUPJ-UHFFFAOYSA-N 1 0 356.518 3.326 50 0 FGAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2ncc3ccc(Cl)cc32)C1 ZINC000006768152 493979163 /nfs/dbraw/zinc/97/91/63/493979163.db2.gz SHYZVLGGENPLSA-GJZGRUSLSA-N 1 0 362.905 3.174 50 0 FGAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)CCn2ccccc2=O)cc1 ZINC000082170769 493981258 /nfs/dbraw/zinc/98/12/58/493981258.db2.gz WUWIPJFITCQAES-FQEVSTJZSA-N 1 0 367.493 3.054 50 0 FGAARO COc1ccc2c(c1)[nH]c1c2ncn(CCC[N@@H+]2CCCC[C@@H]2C)c1=O ZINC000006809326 493981788 /nfs/dbraw/zinc/98/17/88/493981788.db2.gz DRIKJEYJUUURRE-AWEZNQCLSA-N 1 0 354.454 3.151 50 0 FGAARO COc1ccc([C@@H](CNC(=O)c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000006831596 493982700 /nfs/dbraw/zinc/98/27/00/493982700.db2.gz RBFSNWVRCAYCKB-OAQYLSRUSA-N 1 0 367.493 3.328 50 0 FGAARO COc1c(Br)cc(Br)cc1C[NH2+]C(C)(C)CO ZINC000006883120 493985187 /nfs/dbraw/zinc/98/51/87/493985187.db2.gz VWPUPZGIDWKDEO-UHFFFAOYSA-N 1 0 367.081 3.081 50 0 FGAARO CC(C)[C@H]1Nc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2NC1=O ZINC000006919935 493987384 /nfs/dbraw/zinc/98/73/84/493987384.db2.gz JYAFXDDORAELPB-LJQANCHMSA-N 1 0 372.513 3.071 50 0 FGAARO Cc1ccc2oc(C(=O)N3CCC(CC[NH+]4CCCC4)CC3)cc(=O)c2c1 ZINC000032593720 493997939 /nfs/dbraw/zinc/99/79/39/493997939.db2.gz LVSHXKBPNKYRSF-UHFFFAOYSA-N 1 0 368.477 3.440 50 0 FGAARO COc1ccc(C(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1OC ZINC000077104007 494016213 /nfs/dbraw/zinc/01/62/13/494016213.db2.gz HNGIJOLONLHSNL-UHFFFAOYSA-N 1 0 374.506 3.375 50 0 FGAARO Cc1ccc2c(c1)-c1onc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)c1CO2 ZINC000032920471 494027319 /nfs/dbraw/zinc/02/73/19/494027319.db2.gz MSCXOELNKJBACG-HNNXBMFYSA-N 1 0 369.465 3.394 50 0 FGAARO CCNC(=O)c1cccc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)c1 ZINC000007583266 494028296 /nfs/dbraw/zinc/02/82/96/494028296.db2.gz JAHIXDKLYLHGSM-FQEVSTJZSA-N 1 0 365.477 3.384 50 0 FGAARO CCCN(C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC(C)C)C1)C1=CCCCC1 ZINC000032928803 494028744 /nfs/dbraw/zinc/02/87/44/494028744.db2.gz JULHMWUTTJSLTD-SFHVURJKSA-N 1 0 363.546 3.167 50 0 FGAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2cc(Br)ccc2F)C1 ZINC000032931039 494029211 /nfs/dbraw/zinc/02/92/11/494029211.db2.gz FANUPBPCLXXQAE-VXGBXAGGSA-N 1 0 357.267 3.296 50 0 FGAARO CCc1ccc(S(=O)(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000032952016 494031313 /nfs/dbraw/zinc/03/13/13/494031313.db2.gz VAGUZAVGAXXLHU-KRWDZBQOSA-N 1 0 364.555 3.382 50 0 FGAARO C[C@@H]1CCC[N@H+](CC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)C1 ZINC000032952040 494031757 /nfs/dbraw/zinc/03/17/57/494031757.db2.gz PFEFEZPSRKTCBQ-CQSZACIVSA-N 1 0 372.481 3.097 50 0 FGAARO O=C(NCCC[NH+]1CCCC1)c1sc2ncccc2c1-n1cccc1 ZINC000033059848 494040588 /nfs/dbraw/zinc/04/05/88/494040588.db2.gz MKLCELGNHJNGJX-UHFFFAOYSA-N 1 0 354.479 3.303 50 0 FGAARO C[NH+](C)Cc1cccc(CNC(=O)/C=C/c2cnn(-c3ccccc3)c2)c1 ZINC000033084783 494042508 /nfs/dbraw/zinc/04/25/08/494042508.db2.gz UUQWEXIJCIOMNB-VAWYXSNFSA-N 1 0 360.461 3.264 50 0 FGAARO COc1cc(C[N@@H+]2CCCC[C@H]2CCNC(C)=O)cc(Cl)c1OC ZINC000077299643 494051853 /nfs/dbraw/zinc/05/18/53/494051853.db2.gz LKLKMNGOCGXSGJ-HNNXBMFYSA-N 1 0 354.878 3.238 50 0 FGAARO c1csc(C[N@H+]2CCCN(c3ccc(Cn4ccnc4)cn3)CC2)c1 ZINC000077321881 494057697 /nfs/dbraw/zinc/05/76/97/494057697.db2.gz VQYHSJDCZKGBRS-UHFFFAOYSA-N 1 0 353.495 3.100 50 0 FGAARO COc1ccc(F)c(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)c1F ZINC000077322713 494057712 /nfs/dbraw/zinc/05/77/12/494057712.db2.gz HYUNWFFDHQZZRT-UHFFFAOYSA-N 1 0 352.425 3.454 50 0 FGAARO COCc1c(C)onc1C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000077380398 494071004 /nfs/dbraw/zinc/07/10/04/494071004.db2.gz VYVWAVJKWSEDIC-UHFFFAOYSA-N 1 0 371.481 3.114 50 0 FGAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cccc(Cn2cccn2)c1 ZINC000077386409 494073040 /nfs/dbraw/zinc/07/30/40/494073040.db2.gz ATYSJHHUGCEZKW-QFIPXVFZSA-N 1 0 374.488 3.060 50 0 FGAARO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@@H]2CCCO2)o1 ZINC000036097973 494086813 /nfs/dbraw/zinc/08/68/13/494086813.db2.gz BKIUAPLZXGUSCB-OALUTQOASA-N 1 0 359.466 3.317 50 0 FGAARO COCCC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COCc1ccccc1 ZINC000036094982 494086921 /nfs/dbraw/zinc/08/69/21/494086921.db2.gz JFMZDQWXYYVLAB-QFIPXVFZSA-N 1 0 357.494 3.411 50 0 FGAARO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccccc1 ZINC000036095946 494086975 /nfs/dbraw/zinc/08/69/75/494086975.db2.gz DZSKOWNVNHAIDE-SFHVURJKSA-N 1 0 359.466 3.356 50 0 FGAARO CN(C1CC[NH2+]CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000036300085 494088831 /nfs/dbraw/zinc/08/88/31/494088831.db2.gz UNNSLFCVXZGGFF-UHFFFAOYSA-N 1 0 357.690 3.019 50 0 FGAARO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000071195903 494089444 /nfs/dbraw/zinc/08/94/44/494089444.db2.gz RSZKDRJAXQPLEG-SFHVURJKSA-N 1 0 354.454 3.171 50 0 FGAARO O[C@]1(C[NH+]2CCCCC2)CCN(Cc2ccc(-c3ccccn3)cc2)C1 ZINC000077470619 494089586 /nfs/dbraw/zinc/08/95/86/494089586.db2.gz MIYLFXSPTMSXPV-QFIPXVFZSA-N 1 0 351.494 3.171 50 0 FGAARO COCCN1C[C@]2(CCC[N@H+](Cc3ccc4c(ccn4C)c3)C2)CCC1=O ZINC000077487523 494094193 /nfs/dbraw/zinc/09/41/93/494094193.db2.gz UYPQRKPOODQMMO-JOCHJYFZSA-N 1 0 369.509 3.029 50 0 FGAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H](O)c1ccccc1 ZINC000077523735 494103639 /nfs/dbraw/zinc/10/36/39/494103639.db2.gz XELTUBUGKFKWMY-NRFANRHFSA-N 1 0 352.478 3.091 50 0 FGAARO Cc1c(F)cccc1C[NH+]1CCC(c2nnc(CN3CCCC3)n2C)CC1 ZINC000077540202 494108558 /nfs/dbraw/zinc/10/85/58/494108558.db2.gz MLCYBANBNFTJNL-UHFFFAOYSA-N 1 0 371.504 3.238 50 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MDTJMRLOSXXSPI-UHFFFAOYSA-N 1 0 370.493 3.484 50 0 FGAARO COc1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(Cl)c1OC ZINC000040118834 494134105 /nfs/dbraw/zinc/13/41/05/494134105.db2.gz FAQXUTTZVSWHCC-KBPBESRZSA-N 1 0 368.905 3.455 50 0 FGAARO C[NH+]1CCC(N(Cc2ccncc2)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000072146978 494134231 /nfs/dbraw/zinc/13/42/31/494134231.db2.gz ZRUSUFZZGOBVDZ-UHFFFAOYSA-N 1 0 361.493 3.364 50 0 FGAARO OCCOc1ccccc1C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000072150335 494135756 /nfs/dbraw/zinc/13/57/56/494135756.db2.gz OWQSFKVZXKNCSQ-QGZVFWFLSA-N 1 0 365.477 3.389 50 0 FGAARO COc1ccccc1[C@@H]1C[N@H+](Cc2ccc(O)cc2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072150310 494135810 /nfs/dbraw/zinc/13/58/10/494135810.db2.gz DQCFZEDINAQFTL-MDNUFGMLSA-N 1 0 364.489 3.463 50 0 FGAARO CC(C)OCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072151857 494135966 /nfs/dbraw/zinc/13/59/66/494135966.db2.gz SXQWKGBDAHRGTP-LJQANCHMSA-N 1 0 350.478 3.310 50 0 FGAARO Cn1ncc2c1nc(CCc1ccccc1)nc2NC[C@@H]1CCCC[N@@H+]1C ZINC000072158688 494138182 /nfs/dbraw/zinc/13/81/82/494138182.db2.gz YNMILDLARACBBG-KRWDZBQOSA-N 1 0 364.497 3.045 50 0 FGAARO CCCc1oncc1C(=O)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000072158309 494138243 /nfs/dbraw/zinc/13/82/43/494138243.db2.gz NBXPHIKUHRZTMF-GOSISDBHSA-N 1 0 353.466 3.290 50 0 FGAARO NC(=O)c1cccc(C[C@H]2CC[N@H+](CCC(F)(F)C(F)(F)F)C2)c1 ZINC000072162578 494139397 /nfs/dbraw/zinc/13/93/97/494139397.db2.gz DDNXLTXDULZSAT-GFCCVEGCSA-N 1 0 350.331 3.238 50 0 FGAARO O=C1Nc2ccccc2[C@]12CCC[N@H+](Cc1cnc(-c3ccccn3)nc1)C2 ZINC000072163984 494141100 /nfs/dbraw/zinc/14/11/00/494141100.db2.gz YTZRGVYHYGAYRH-JOCHJYFZSA-N 1 0 371.444 3.025 50 0 FGAARO C[NH+](C)C[C@H]1CCCC[C@@H]1NC(=O)CCn1ncc2ccc(Cl)cc21 ZINC000072246245 494147033 /nfs/dbraw/zinc/14/70/33/494147033.db2.gz KRBTYGOEKTUCHV-WBVHZDCISA-N 1 0 362.905 3.316 50 0 FGAARO COc1ccc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OC ZINC000072286238 494147918 /nfs/dbraw/zinc/14/79/18/494147918.db2.gz NDDRPPIUZHFNFY-OAHLLOKOSA-N 1 0 352.475 3.343 50 0 FGAARO COc1ccc(OC)c(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000072286236 494147999 /nfs/dbraw/zinc/14/79/99/494147999.db2.gz RSQFPSRCINLTNR-MRXNPFEDSA-N 1 0 352.475 3.343 50 0 FGAARO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000072296022 494148837 /nfs/dbraw/zinc/14/88/37/494148837.db2.gz YQAIANYNQFKWLL-KURKYZTESA-N 1 0 359.514 3.044 50 0 FGAARO COc1cccc(C[NH2+]CCOCCO)c1OCc1ccccc1Cl ZINC000010435656 494153195 /nfs/dbraw/zinc/15/31/95/494153195.db2.gz YVPHCAVOPVTAQT-UHFFFAOYSA-N 1 0 365.857 3.026 50 0 FGAARO OCCOCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000010435713 494153204 /nfs/dbraw/zinc/15/32/04/494153204.db2.gz YGKFZIFWUNEGIM-UHFFFAOYSA-N 1 0 353.821 3.157 50 0 FGAARO CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000072410223 494166566 /nfs/dbraw/zinc/16/65/66/494166566.db2.gz GFHFIKZWROKJQR-FQEVSTJZSA-N 1 0 360.461 3.221 50 0 FGAARO CC(=O)NC(C)(C)C[C@@H](C)[NH+]1CCC2(CN(CCC(C)C)C(=O)O2)CC1 ZINC000072421964 494168845 /nfs/dbraw/zinc/16/88/45/494168845.db2.gz XTKUIZDAXUDLIQ-MRXNPFEDSA-N 1 0 367.534 3.013 50 0 FGAARO Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCCC[C@H]1CC[NH+](C)C ZINC000072424799 494170526 /nfs/dbraw/zinc/17/05/26/494170526.db2.gz PNZNDJDIROUQCK-JTQLQIEISA-N 1 0 366.815 3.039 50 0 FGAARO c1cn(-c2ccc(Oc3ccccc3)nc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072428955 494172635 /nfs/dbraw/zinc/17/26/35/494172635.db2.gz NODGNKYONNTMOB-UHFFFAOYSA-N 1 0 358.405 3.026 50 0 FGAARO CC(C)(O)CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000072433088 494174125 /nfs/dbraw/zinc/17/41/25/494174125.db2.gz WVSABKJEZPIJQU-VQTJNVASSA-N 1 0 358.526 3.384 50 0 FGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](Nc3cc(C(N)=O)ccn3)C2)cc1 ZINC000072436094 494174832 /nfs/dbraw/zinc/17/48/32/494174832.db2.gz HDFWVWHPBXZRRP-FQEVSTJZSA-N 1 0 366.509 3.456 50 0 FGAARO COc1ccc2c(c1)n[nH]c2C[NH+]1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000072457525 494177585 /nfs/dbraw/zinc/17/75/85/494177585.db2.gz ZLZBTHXENRMWLV-JOCHJYFZSA-N 1 0 365.477 3.387 50 0 FGAARO CN1CC2(CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)OC1=O ZINC000072473669 494180461 /nfs/dbraw/zinc/18/04/61/494180461.db2.gz BOMZIEHOOFUYGE-UHFFFAOYSA-N 1 0 367.449 3.077 50 0 FGAARO Cc1cc(C)n(-c2ccc(F)cc2C[NH+]2CCC3(CN(C)C(=O)O3)CC2)n1 ZINC000072477313 494181752 /nfs/dbraw/zinc/18/17/52/494181752.db2.gz LATGBDLBAUSGIL-UHFFFAOYSA-N 1 0 372.444 3.045 50 0 FGAARO CCc1cc(N2CCC[N@H+](Cc3ccncc3)CC2)n2nc(C)c(C)c2n1 ZINC000072478759 494181766 /nfs/dbraw/zinc/18/17/66/494181766.db2.gz LOIFYQVVUXHNRD-UHFFFAOYSA-N 1 0 364.497 3.016 50 0 FGAARO COc1ccccc1CC(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011766221 494190141 /nfs/dbraw/zinc/19/01/41/494190141.db2.gz KCABBQYSWUADLD-NRFANRHFSA-N 1 0 366.505 3.451 50 0 FGAARO OC1CC[NH+](Cc2ccc3c(c2)CN(CCCC(F)(F)F)CCO3)CC1 ZINC000011880675 494194635 /nfs/dbraw/zinc/19/46/35/494194635.db2.gz HPJWDBUEGOBBNJ-UHFFFAOYSA-N 1 0 372.431 3.180 50 0 FGAARO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)nn1C ZINC000011933379 494197140 /nfs/dbraw/zinc/19/71/40/494197140.db2.gz SWBSCAQWAJEMFG-QFIPXVFZSA-N 1 0 366.509 3.165 50 0 FGAARO O=C([C@@H]1CCCO1)N(Cc1cccc(OCC[NH+]2CCCCC2)c1)C1CC1 ZINC000011972124 494197861 /nfs/dbraw/zinc/19/78/61/494197861.db2.gz WJOJTZKHLAGHTQ-NRFANRHFSA-N 1 0 372.509 3.221 50 0 FGAARO O=C(C[NH+]1CCCCC1)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000012002858 494199255 /nfs/dbraw/zinc/19/92/55/494199255.db2.gz KKXXDCDTGKBUJF-GOSISDBHSA-N 1 0 374.435 3.130 50 0 FGAARO CC[NH+](CC)CCNc1ncnc2sc(C(=O)OC(C)C)c(C)c21 ZINC000011990467 494199448 /nfs/dbraw/zinc/19/94/48/494199448.db2.gz VXGPNPHCGMTDNK-UHFFFAOYSA-N 1 0 350.488 3.319 50 0 FGAARO COc1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3F)C2)ccc1O ZINC000012093860 494203845 /nfs/dbraw/zinc/20/38/45/494203845.db2.gz HYJZIAVTOQHGKV-NRFANRHFSA-N 1 0 359.441 3.357 50 0 FGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)C3=CCCC3)C2)cc1OC ZINC000012195483 494212836 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CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2ccncc2)CC1 ZINC000012435198 494232276 /nfs/dbraw/zinc/23/22/76/494232276.db2.gz BSLQBDMCTJQVQB-UHFFFAOYSA-N 1 0 368.477 3.478 50 0 FGAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000012434937 494232769 /nfs/dbraw/zinc/23/27/69/494232769.db2.gz HKEXHKBQWDCBFO-OAQYLSRUSA-N 1 0 353.441 3.235 50 0 FGAARO C[NH+](C)CCCN(C(=O)c1ccno1)c1nc2c(cc(F)cc2F)s1 ZINC000012443811 494233538 /nfs/dbraw/zinc/23/35/38/494233538.db2.gz HIWVYWRLQCKVKC-UHFFFAOYSA-N 1 0 366.393 3.161 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3F)cc2C)CC1 ZINC000012542961 494240098 /nfs/dbraw/zinc/24/00/98/494240098.db2.gz KSOSWOVZKRRMGN-UHFFFAOYSA-N 1 0 355.457 3.457 50 0 FGAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(CCC(=O)N3CCOCC3)CC1)=CC2 ZINC000012572151 494243621 /nfs/dbraw/zinc/24/36/21/494243621.db2.gz FZWWHXMGTBVLGR-PMACEKPBSA-N 1 0 360.542 3.330 50 0 FGAARO COc1ccccc1OCC(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012704596 494252176 /nfs/dbraw/zinc/25/21/76/494252176.db2.gz BUQHCVIFOCBBND-QGZVFWFLSA-N 1 0 360.498 3.377 50 0 FGAARO Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccccc3C[NH+](C)C)c12 ZINC000012781844 494258967 /nfs/dbraw/zinc/25/89/67/494258967.db2.gz LSLGEDORMLJMKF-UHFFFAOYSA-N 1 0 364.449 3.400 50 0 FGAARO COC(=O)Cc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000089400983 494300642 /nfs/dbraw/zinc/30/06/42/494300642.db2.gz KIJPSIWJRUHIOI-SFHVURJKSA-N 1 0 353.418 3.468 50 0 FGAARO CCc1oc(C(=O)NCCCc2c(C)n[nH]c2C)cc1C[NH+]1CCCC1 ZINC000055108027 494301586 /nfs/dbraw/zinc/30/15/86/494301586.db2.gz BYPOSXXZNUOUER-UHFFFAOYSA-N 1 0 358.486 3.140 50 0 FGAARO C[C@H]1SCC[N@H+](CCn2c(=O)oc3cccnc32)[C@@H]1c1ccccc1 ZINC000089428279 494305203 /nfs/dbraw/zinc/30/52/03/494305203.db2.gz JGRLNJXGELFJKJ-PBHICJAKSA-N 1 0 355.463 3.168 50 0 FGAARO CCSc1nc(CC(=O)N[C@@H](C[NH+]2CCCC2)C(C)(C)C)cs1 ZINC000055199553 494313271 /nfs/dbraw/zinc/31/32/71/494313271.db2.gz HKYJPALYAJGDSF-AWEZNQCLSA-N 1 0 355.573 3.424 50 0 FGAARO Cc1cc(C)c(C[N@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c(C)c1CO ZINC000055252465 494319448 /nfs/dbraw/zinc/31/94/48/494319448.db2.gz KAXVRTHTKNPCSX-SFHVURJKSA-N 1 0 358.526 3.327 50 0 FGAARO CCOc1cccc(C[N@H+](CCO)Cc2ccc(-n3cccn3)cc2)c1 ZINC000055282509 494322035 /nfs/dbraw/zinc/32/20/35/494322035.db2.gz HONQSDMEJNBNFC-UHFFFAOYSA-N 1 0 351.450 3.266 50 0 FGAARO CCCN(Cc1cccc(Cl)c1)C(=O)CC[C@H](C)[NH+]1CCN(C)CC1 ZINC000055281456 494322128 /nfs/dbraw/zinc/32/21/28/494322128.db2.gz NSHYOAVNOGHBEV-KRWDZBQOSA-N 1 0 365.949 3.495 50 0 FGAARO CSc1nnc(CC2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)n1C ZINC000055384221 494334560 /nfs/dbraw/zinc/33/45/60/494334560.db2.gz KNTGSNDQDLQEGY-UHFFFAOYSA-N 1 0 355.511 3.473 50 0 FGAARO COCCN(C(=O)c1cc(C)nc2cc(C)ccc21)C1CC[NH+](C)CC1 ZINC000055568897 494362843 /nfs/dbraw/zinc/36/28/43/494362843.db2.gz LPGNWNPAAKYAMI-UHFFFAOYSA-N 1 0 355.482 3.034 50 0 FGAARO Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2[nH+]1 ZINC000018283357 494431653 /nfs/dbraw/zinc/43/16/53/494431653.db2.gz RXONUPQQCYQNPN-UHFFFAOYSA-N 1 0 367.474 3.054 50 0 FGAARO Cc1cc(C)c(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000019771044 494460402 /nfs/dbraw/zinc/46/04/02/494460402.db2.gz RVNAVTYAPWTQGU-QFIPXVFZSA-N 1 0 368.521 3.169 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1nc2ccccc2s1)c1ccc2c(c1)CCO2 ZINC000090607240 494487171 /nfs/dbraw/zinc/48/71/71/494487171.db2.gz TVHVEDYQPWNQEU-INIZCTEOSA-N 1 0 367.474 3.264 50 0 FGAARO C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000023133961 494551404 /nfs/dbraw/zinc/55/14/04/494551404.db2.gz LXXLJBGTSOVIPW-HNNXBMFYSA-N 1 0 373.884 3.498 50 0 FGAARO CC(C)n1cnnc1C[N@@H+]1CC[C@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091462218 494605437 /nfs/dbraw/zinc/60/54/37/494605437.db2.gz PIQAEGBCZHGZIF-FQEVSTJZSA-N 1 0 359.518 3.006 50 0 FGAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1nc3ccc(C)cn3c1F)C2 ZINC000091493298 494610285 /nfs/dbraw/zinc/61/02/85/494610285.db2.gz RBYXKVLSLIWDLO-IAGOWNOFSA-N 1 0 370.472 3.284 50 0 FGAARO COc1ccc(F)c(F)c1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000091526773 494612737 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FC(F)(F)c1ccc(C[NH+]2CCN(c3ncnc4[nH]ccc43)CC2)cc1 ZINC000058174508 136130727 /nfs/dbraw/zinc/13/07/27/136130727.db2.gz SXHQEXIOMXVYAA-UHFFFAOYSA-N 1 0 361.371 3.299 50 0 FGAARO C[C@@H]1CN(c2ccccc2NC(=O)N2CCC[N@@H+](C3CC3)CC2)C[C@H](C)O1 ZINC000058392784 136131699 /nfs/dbraw/zinc/13/16/99/136131699.db2.gz ITUWNUCJHDLLMB-CALCHBBNSA-N 1 0 372.513 3.002 50 0 FGAARO COc1ccc([C@@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1OC ZINC000062005045 136132702 /nfs/dbraw/zinc/13/27/02/136132702.db2.gz AYTBXKXOHUOUNU-FQEVSTJZSA-N 1 0 370.493 3.176 50 0 FGAARO C[C@@H](CCn1cccn1)[NH2+]C1CCN(c2ccc(-n3ccnc3)cc2)CC1 ZINC000063835280 136132949 /nfs/dbraw/zinc/13/29/49/136132949.db2.gz GIUQSTBMXOOMBH-SFHVURJKSA-N 1 0 364.497 3.106 50 0 FGAARO Cc1ncnc(N2CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)CC2)c1C ZINC000072411013 136145547 /nfs/dbraw/zinc/14/55/47/136145547.db2.gz BNRFOLXRYWHSNA-UHFFFAOYSA-N 1 0 368.525 3.119 50 0 FGAARO Cc1ncsc1C(=O)N1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072463072 221540093 /nfs/dbraw/zinc/54/00/93/221540093.db2.gz MHXMSDKXBWZCQM-GUDVDZBRSA-N 1 0 367.518 3.462 50 0 FGAARO C[C@@H](C1CCN(Cc2ccc(F)c(Cl)c2)CC1)[NH+]1CCN(C)CC1 ZINC000077322897 221608135 /nfs/dbraw/zinc/60/81/35/221608135.db2.gz ZDQDRGXEPCSXBH-HNNXBMFYSA-N 1 0 353.913 3.327 50 0 FGAARO Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)c2ccc(C)c(C)c2n1 ZINC000077517011 221639444 /nfs/dbraw/zinc/63/94/44/221639444.db2.gz AWMYWHJHMVUCED-QFIPXVFZSA-N 1 0 369.509 3.079 50 0 FGAARO O=C1N(CC2CC2)CCC[C@]12CC[N@H+](Cc1ccccc1-n1cccn1)C2 ZINC000091636225 221776818 /nfs/dbraw/zinc/77/68/18/221776818.db2.gz BNSIGQCUHZZGMZ-JOCHJYFZSA-N 1 0 364.493 3.097 50 0 FGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3occc3c2)C1 ZINC000095364246 221866322 /nfs/dbraw/zinc/86/63/22/221866322.db2.gz ALFMUIFHMFAJBO-SFHVURJKSA-N 1 0 366.465 3.211 50 0 FGAARO COCC1(NC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)CCCC1 ZINC000096131540 222036448 /nfs/dbraw/zinc/03/64/48/222036448.db2.gz CXFHOZZOATUMNI-UHFFFAOYSA-N 1 0 361.486 3.240 50 0 FGAARO O[C@H]1CN(Cc2c[nH]nc2C2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000096135949 222039265 /nfs/dbraw/zinc/03/92/65/222039265.db2.gz JJJUEGRIGURSGA-OAQYLSRUSA-N 1 0 368.525 3.136 50 0 FGAARO CCc1nc(CCNC(=O)Nc2cccc(C[N@@H+]3CCCC[C@@H]3C)c2)no1 ZINC000096160385 222060187 /nfs/dbraw/zinc/06/01/87/222060187.db2.gz BRGZHYCYDHKWME-HNNXBMFYSA-N 1 0 371.485 3.371 50 0 FGAARO Cc1ccc(SCCCN(C)C(=O)C[C@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000097307267 222174621 /nfs/dbraw/zinc/17/46/21/222174621.db2.gz COFAUULJBVISFY-SFHVURJKSA-N 1 0 364.555 3.435 50 0 FGAARO Cc1cc(C(=O)NC2CC[NH+](Cc3ccco3)CC2)cc2sc(N)nc21 ZINC000097495123 222185821 /nfs/dbraw/zinc/18/58/21/222185821.db2.gz UQPUBNONEKGXGD-UHFFFAOYSA-N 1 0 370.478 3.174 50 0 FGAARO Cc1ccc(-c2ccc(NC(=O)N3C[C@H](O)[C@@H]([NH+]4CCCC4)C3)cc2)cc1 ZINC000097570884 222193045 /nfs/dbraw/zinc/19/30/45/222193045.db2.gz YDKNUCLQGKTPSZ-SFTDATJTSA-N 1 0 365.477 3.335 50 0 FGAARO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N1CCn2nc(Cc3ccccc3)cc2C1 ZINC000097743439 222209831 /nfs/dbraw/zinc/20/98/31/222209831.db2.gz PUCXPENJDNLBDS-HDICACEKSA-N 1 0 366.509 3.079 50 0 FGAARO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)NCC1(O)CCCCC1 ZINC000426396654 263575278 /nfs/dbraw/zinc/57/52/78/263575278.db2.gz SJTZDKXYWHKPFX-UHFFFAOYSA-N 1 0 373.541 3.283 50 0 FGAARO O=C(N[C@H]1CC[NH2+]C1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000426440305 263592640 /nfs/dbraw/zinc/59/26/40/263592640.db2.gz QDNHRMFFSDWZBM-HNNXBMFYSA-N 1 0 350.340 3.344 50 0 FGAARO CO[C@]12CC[N@H+](Cc3ccc4c(c3)OCCO4)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426618340 263644809 /nfs/dbraw/zinc/64/48/09/263644809.db2.gz NIVZKXUYEKBFSE-YUXAGFNASA-N 1 0 373.493 3.396 50 0 FGAARO O=C(NCc1nncn1C1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000426712019 263661651 /nfs/dbraw/zinc/66/16/51/263661651.db2.gz JHLKEHZRBFUWRY-UHFFFAOYSA-N 1 0 367.497 3.309 50 0 FGAARO CNc1ccccc1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000573687715 505597002 /nfs/dbraw/zinc/59/70/02/505597002.db2.gz VRFUFLUQUBFQIV-LJQANCHMSA-N 1 0 365.477 3.446 50 0 FGAARO Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)oc2c1C ZINC000028290709 493783755 /nfs/dbraw/zinc/78/37/55/493783755.db2.gz JFFXNRIPCVFJQC-SFHVURJKSA-N 1 0 364.445 3.443 50 0 FGAARO COc1cccc(OC)c1OCC[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000002516049 493810810 /nfs/dbraw/zinc/81/08/10/493810810.db2.gz QAUVAHYHKLRJCQ-AWEZNQCLSA-N 1 0 361.463 3.226 50 0 in-vitro FGAARO Cc1cc(NC(=O)[C@@H](C)Nc2ccc(CC[NH+]3CCSCC3)cc2)no1 ZINC000057933038 493816470 /nfs/dbraw/zinc/81/64/70/493816470.db2.gz JQLOMCYKFRUWSQ-OAHLLOKOSA-N 1 0 374.510 3.013 50 0 FGAARO O[C@@H](COc1ccc2cc(Br)ccc2c1)C[NH+]1CCCC1 ZINC000002709738 493816513 /nfs/dbraw/zinc/81/65/13/493816513.db2.gz HGIDBTSZCANCBC-MRXNPFEDSA-N 1 0 350.256 3.438 50 0 FGAARO Cc1cc(=O)oc2cc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)ccc12 ZINC000057943038 493817189 /nfs/dbraw/zinc/81/71/89/493817189.db2.gz LJBKRSZTMZLMGO-INIZCTEOSA-N 1 0 355.438 3.194 50 0 FGAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(C(F)(F)F)c1 ZINC000048367599 493821405 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O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000030363383 493887988 /nfs/dbraw/zinc/88/79/88/493887988.db2.gz NILYISVQRXYSKM-UHFFFAOYSA-N 1 0 359.267 3.237 50 0 FGAARO COc1ccccc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C(C)C)C3 ZINC000005977075 493947934 /nfs/dbraw/zinc/94/79/34/493947934.db2.gz MCLDOFVGKDDUBI-QGZVFWFLSA-N 1 0 357.479 3.377 50 0 FGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cn2ncc3ccc(Cl)cc32)C1 ZINC000006768155 493978784 /nfs/dbraw/zinc/97/87/84/493978784.db2.gz SHYZVLGGENPLSA-HUUCEWRRSA-N 1 0 362.905 3.174 50 0 FGAARO CC(C)=CCC[C@H](C)C[N@@H+]1CCCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082138674 493980973 /nfs/dbraw/zinc/98/09/73/493980973.db2.gz ZDHGQRCDAUNDKC-KRWDZBQOSA-N 1 0 361.534 3.243 50 0 FGAARO Cc1cc(C(=O)NCc2cc3n(n2)CCC[NH2+]C3)sc1-c1ccccc1 ZINC000082138507 493981228 /nfs/dbraw/zinc/98/12/28/493981228.db2.gz NHQPQRRTQYILOF-UHFFFAOYSA-N 1 0 366.490 3.343 50 0 FGAARO C[C@H]1C[NH+](CCCNC(=O)c2ccc(-c3ccc(F)cc3)o2)C[C@H](C)O1 ZINC000032612970 493999968 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O=S(=O)(c1ccc(Cl)cc1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000032951771 494031908 /nfs/dbraw/zinc/03/19/08/494031908.db2.gz FLPDEGHZQCVQFR-UHFFFAOYSA-N 1 0 356.919 3.227 50 0 FGAARO CCCCOc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000052551221 494038279 /nfs/dbraw/zinc/03/82/79/494038279.db2.gz BVENCQTZPJEZLM-DOTOQJQBSA-N 1 0 363.502 3.329 50 0 FGAARO COc1ccc(-c2nc3cc4c(cc3[nH]2)n(O)c2ccccc2[n+]4=O)cc1 ZINC000033591233 494061287 /nfs/dbraw/zinc/06/12/87/494061287.db2.gz XDQJLNJYKGVYBK-UHFFFAOYSA-N 1 0 359.365 3.498 50 0 FGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000008040167 494062812 /nfs/dbraw/zinc/06/28/12/494062812.db2.gz LLMBCLKMXPCWBN-GOSISDBHSA-N 1 0 350.422 3.032 50 0 FGAARO Cc1ccc(C(=O)N(Cc2nn(C)c3c2C[NH2+]CC3)c2ccccc2)cc1 ZINC000034928805 494070559 /nfs/dbraw/zinc/07/05/59/494070559.db2.gz OHRDRLLNBUIALU-UHFFFAOYSA-N 1 0 360.461 3.221 50 0 FGAARO O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077387336 494073413 /nfs/dbraw/zinc/07/34/13/494073413.db2.gz VEDMDXHZCWOABZ-HSZRJFAPSA-N 1 0 364.489 3.417 50 0 FGAARO Cc1cccc(C2=NC3(CC[NH+](Cc4cccc(F)c4)CC3)NC2=O)c1 ZINC000035430939 494077776 /nfs/dbraw/zinc/07/77/76/494077776.db2.gz XZDNKYAGBJPYFS-UHFFFAOYSA-N 1 0 351.425 3.045 50 0 FGAARO COc1ccc(NC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000035598060 494079906 /nfs/dbraw/zinc/07/99/06/494079906.db2.gz NYSJFDMSCHCRBQ-UHFFFAOYSA-N 1 0 354.454 3.087 50 0 FGAARO Cc1ccc2c(c1)-c1c(c(C(=O)NCCC[NH+]3CCCC3)nn1C)CS2 ZINC000035534840 494080327 /nfs/dbraw/zinc/08/03/27/494080327.db2.gz UVGXHEOYLYJZHN-UHFFFAOYSA-N 1 0 370.522 3.217 50 0 FGAARO CC(C)C[C@@H](O)C1CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000077426867 494081798 /nfs/dbraw/zinc/08/17/98/494081798.db2.gz CDURCNRYHAVQOT-JOCHJYFZSA-N 1 0 360.542 3.138 50 0 FGAARO CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000008326301 494083938 /nfs/dbraw/zinc/08/39/38/494083938.db2.gz UOXDNPABOHTKFP-JTQLQIEISA-N 1 0 367.081 3.081 50 0 FGAARO COCCC[N@@H+](Cc1ccco1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036096485 494086587 /nfs/dbraw/zinc/08/65/87/494086587.db2.gz IVRBCXRAWRVAHV-MRXNPFEDSA-N 1 0 353.846 3.211 50 0 FGAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)CN1C1CC1 ZINC000077456138 494087046 /nfs/dbraw/zinc/08/70/46/494087046.db2.gz NTSVFFGXTNJBSN-QFIPXVFZSA-N 1 0 364.493 3.239 50 0 FGAARO COc1ccc(-c2csc3[nH]c(C[NH2+]C(C)C)nc(=O)c23)cc1OC ZINC000036154286 494088041 /nfs/dbraw/zinc/08/80/41/494088041.db2.gz PGJDKAJXCZVWIF-UHFFFAOYSA-N 1 0 359.451 3.167 50 0 FGAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1cc2ccccc2oc1=O ZINC000008862556 494107394 /nfs/dbraw/zinc/10/73/94/494107394.db2.gz MIRXJUSQOCKYEJ-QGZVFWFLSA-N 1 0 368.458 3.421 50 0 FGAARO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCCC2)cc1 ZINC000008944706 494109218 /nfs/dbraw/zinc/10/92/18/494109218.db2.gz ZMQFMMKTBMBVFJ-HNNXBMFYSA-N 1 0 367.449 3.370 50 0 FGAARO O=C(Nc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)c1cccs1 ZINC000009153990 494116187 /nfs/dbraw/zinc/11/61/87/494116187.db2.gz VPAKGBXVEUNNJB-UHFFFAOYSA-N 1 0 357.479 3.216 50 0 FGAARO CCC(CC)[C@@H](CNC(=O)Cc1cccc2cccnc21)[NH+]1CCOCC1 ZINC000040087037 494129621 /nfs/dbraw/zinc/12/96/21/494129621.db2.gz JNOJZAKXXZSWCO-HXUWFJFHSA-N 1 0 369.509 3.031 50 0 FGAARO C[N@@H+]1CCN(CCCNC(=O)c2cc(F)ccc2F)[C@H](c2ccccc2)C1 ZINC000040081474 494129858 /nfs/dbraw/zinc/12/98/58/494129858.db2.gz XQMOSIYRGFTPTM-FQEVSTJZSA-N 1 0 373.447 3.073 50 0 FGAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CCc2ccccc2)CC1 ZINC000040089824 494131097 /nfs/dbraw/zinc/13/10/97/494131097.db2.gz DDCYATGDCOJPRC-UHFFFAOYSA-N 1 0 365.521 3.073 50 0 FGAARO Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000072140599 494131732 /nfs/dbraw/zinc/13/17/32/494131732.db2.gz OERSZHRRQBGRHK-GOSISDBHSA-N 1 0 367.493 3.461 50 0 FGAARO CC[NH+](CC)[C@H](CNC(=O)c1cnn(C)c1-n1cccc1)c1ccsc1 ZINC000040107981 494132852 /nfs/dbraw/zinc/13/28/52/494132852.db2.gz ONAOXAKTMCHXDI-QGZVFWFLSA-N 1 0 371.510 3.085 50 0 FGAARO CC(C)([NH3+])C(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000072153364 494136749 /nfs/dbraw/zinc/13/67/49/494136749.db2.gz ZJHJTUBBKKRGQE-MRXNPFEDSA-N 1 0 350.462 3.097 50 0 FGAARO COc1cccc2ccc(C[N@@H+]3CCC[C@@H](c4cc(=O)[nH]c(C)n4)C3)nc21 ZINC000072156092 494136790 /nfs/dbraw/zinc/13/67/90/494136790.db2.gz IJAKZYYWZBWTDW-MRXNPFEDSA-N 1 0 364.449 3.015 50 0 FGAARO COc1ccccc1[C@H]1CN(C(=O)c2ccoc2C)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072155914 494136809 /nfs/dbraw/zinc/13/68/09/494136809.db2.gz PJFTYRXMNVLSRV-HMXCVIKNSA-N 1 0 366.461 3.299 50 0 FGAARO CC(C)c1noc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072154011 494136947 /nfs/dbraw/zinc/13/69/47/494136947.db2.gz LJHKWYPMNVJDRT-MISYRCLQSA-N 1 0 370.472 3.394 50 0 FGAARO O=C(c1cccc2cc[nH]c21)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072165714 494141138 /nfs/dbraw/zinc/14/11/38/494141138.db2.gz BKRNRHGIBDGDRB-FQEVSTJZSA-N 1 0 359.473 3.483 50 0 FGAARO c1nc(N2CCCC2)sc1C[N@H+]1CCC[C@@H](OCc2ccccn2)C1 ZINC000072168844 494141295 /nfs/dbraw/zinc/14/12/95/494141295.db2.gz BSBJNJWJEFKXKC-QGZVFWFLSA-N 1 0 358.511 3.320 50 0 FGAARO OC[C@@]1(O)CCC[N@H+](Cc2cnc(-c3cccc4ccccc43)nc2)CC1 ZINC000072169945 494143176 /nfs/dbraw/zinc/14/31/76/494143176.db2.gz UHJHUDGFUXZUSM-JOCHJYFZSA-N 1 0 363.461 3.006 50 0 FGAARO CC(C)Oc1ccc(C[NH2+]CCCN2CCCC2=O)cc1Br ZINC000040731011 494145860 /nfs/dbraw/zinc/14/58/60/494145860.db2.gz DWPXNXDFGRWTJB-UHFFFAOYSA-N 1 0 369.303 3.338 50 0 FGAARO Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000072418958 494168002 /nfs/dbraw/zinc/16/80/02/494168002.db2.gz IUUCAPFNULXHDN-QGZVFWFLSA-N 1 0 373.932 3.444 50 0 FGAARO C[N@@H+]1CC[C@H](CNC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC000087160477 494178041 /nfs/dbraw/zinc/17/80/41/494178041.db2.gz OOGQDTCBRVKYAY-OAHLLOKOSA-N 1 0 366.490 3.282 50 0 FGAARO FC1(F)Oc2ccc(CN3CCC[N@H+](Cc4ccncc4)CC3)cc2O1 ZINC000072474570 494179888 /nfs/dbraw/zinc/17/98/88/494179888.db2.gz QDVRYHNHVXVPPZ-UHFFFAOYSA-N 1 0 361.392 3.111 50 0 FGAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)[C@@H]2Cc3ccccc3S2)CC1 ZINC000072476934 494181747 /nfs/dbraw/zinc/18/17/47/494181747.db2.gz FQQUPJZRGDMHNE-FQEVSTJZSA-N 1 0 367.518 3.221 50 0 FGAARO CC(C)(O)CCc1ccc(CN2CCC([NH+]3CCSCC3)CC2)cc1 ZINC000072480843 494182717 /nfs/dbraw/zinc/18/27/17/494182717.db2.gz CWEKESXYPDDGIP-UHFFFAOYSA-N 1 0 362.583 3.403 50 0 FGAARO Cc1nccn1CC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072479078 494182913 /nfs/dbraw/zinc/18/29/13/494182913.db2.gz YAXFAEXFOLXLQR-QFIPXVFZSA-N 1 0 366.509 3.096 50 0 FGAARO CC[NH+](CC)CCNc1nnc(-c2nc(C3CC3)no2)c2ccccc21 ZINC000065258264 494183670 /nfs/dbraw/zinc/18/36/70/494183670.db2.gz KZNMPWIBCZRTCJ-UHFFFAOYSA-N 1 0 352.442 3.311 50 0 FGAARO CC(C)C[NH+]1CCC([C@H]2CCN(C(=O)c3cn4ccccc4n3)C2)CC1 ZINC000011663250 494184669 /nfs/dbraw/zinc/18/46/69/494184669.db2.gz CTJJPHGFIOMNAR-SFHVURJKSA-N 1 0 354.498 3.164 50 0 FGAARO CCc1cc(C(=O)N(CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)n(C)n1 ZINC000011812711 494191585 /nfs/dbraw/zinc/19/15/85/494191585.db2.gz NXFWSAWKMXBORN-LJQANCHMSA-N 1 0 368.525 3.009 50 0 FGAARO Cc1noc(C)c1CCC(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011844604 494193277 /nfs/dbraw/zinc/19/32/77/494193277.db2.gz XEXGQUROENWZTJ-IBGZPJMESA-N 1 0 355.482 3.047 50 0 FGAARO CCn1cc(C[N@H+]2CCC(=O)N(Cc3cccc(Cl)c3)CC2)c(C)n1 ZINC000012036926 494200021 /nfs/dbraw/zinc/20/00/21/494200021.db2.gz KRILJHQJPFRZTJ-UHFFFAOYSA-N 1 0 360.889 3.099 50 0 FGAARO CCN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012327823 494225604 /nfs/dbraw/zinc/22/56/04/494225604.db2.gz OTFKRDVAWYGQGQ-GOSISDBHSA-N 1 0 365.477 3.390 50 0 FGAARO OCCOc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012386355 494229103 /nfs/dbraw/zinc/22/91/03/494229103.db2.gz OKGWQVYXURVLIK-JOCHJYFZSA-N 1 0 373.468 3.014 50 0 FGAARO CC[C@H]1CN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)CC[N@@H+]1C ZINC000012431785 494231810 /nfs/dbraw/zinc/23/18/10/494231810.db2.gz UGPVQYIGFAMBDW-SFHVURJKSA-N 1 0 363.465 3.253 50 0 FGAARO Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)n1C ZINC000012433537 494232311 /nfs/dbraw/zinc/23/23/11/494232311.db2.gz HLOCEYVWNNORRL-OAQYLSRUSA-N 1 0 374.479 3.495 50 0 FGAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](C2CCOCC2)C1 ZINC000012474664 494235687 /nfs/dbraw/zinc/23/56/87/494235687.db2.gz VVCFXOJVPKZLOP-OAQYLSRUSA-N 1 0 361.482 3.280 50 0 FGAARO CN(Cc1cnn(C)c1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012592617 494244872 /nfs/dbraw/zinc/24/48/72/494244872.db2.gz VVPPKPLAXZDAMA-GOSISDBHSA-N 1 0 360.933 3.460 50 0 FGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2ccco2)CC1 ZINC000012587615 494245713 /nfs/dbraw/zinc/24/57/13/494245713.db2.gz DYTIGPJXFVYJJU-UHFFFAOYSA-N 1 0 356.466 3.315 50 0 FGAARO C[NH+](C)Cc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 ZINC000012683438 494250381 /nfs/dbraw/zinc/25/03/81/494250381.db2.gz NMYDGNATTLEESJ-UHFFFAOYSA-N 1 0 352.463 3.443 50 0 FGAARO CC[C@H](CO)[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccn1 ZINC000055073766 494297519 /nfs/dbraw/zinc/29/75/19/494297519.db2.gz IXEWSPQUXQWOOF-LJQANCHMSA-N 1 0 354.429 3.384 50 0 FGAARO O=C(NC[C@H]1COc2ccccc2C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073024797 494307899 /nfs/dbraw/zinc/30/78/99/494307899.db2.gz OPTZWQCTERFASY-SFHVURJKSA-N 1 0 350.462 3.264 50 0 FGAARO CCOc1cc(C[NH2+]C[C@H](C)n2cncn2)c(Cl)cc1OC(C)C ZINC000055370595 494334074 /nfs/dbraw/zinc/33/40/74/494334074.db2.gz AUWRAKNEXYAMKU-ZDUSSCGKSA-N 1 0 352.866 3.468 50 0 FGAARO Cc1c(C(=O)NCc2ccccc2C[NH+](C)C)cnn1-c1ccc(C)cc1 ZINC000044008368 494334042 /nfs/dbraw/zinc/33/40/42/494334042.db2.gz HRZPEENRXFFFKY-UHFFFAOYSA-N 1 0 362.477 3.481 50 0 FGAARO CCC[N@H+](CC(=O)Nc1nncs1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000078876562 494375095 /nfs/dbraw/zinc/37/50/95/494375095.db2.gz ULMAIRSIGCGIKQ-CABCVRRESA-N 1 0 366.531 3.317 50 0 FGAARO C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000045233514 494408510 /nfs/dbraw/zinc/40/85/10/494408510.db2.gz SHGQBUXKZFRDJE-XJKSGUPXSA-N 1 0 351.491 3.394 50 0 FGAARO O=C(NC1CC1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000055915335 494427610 /nfs/dbraw/zinc/42/76/10/494427610.db2.gz WETVHOQSSMKBNL-UHFFFAOYSA-N 1 0 357.281 3.363 50 0 FGAARO Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000056474952 494513128 /nfs/dbraw/zinc/51/31/28/494513128.db2.gz UMAXFJIBJQJNAG-UHFFFAOYSA-N 1 0 353.451 3.222 50 0 FGAARO c1cnc2c(c1)cccc2C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022807721 494535692 /nfs/dbraw/zinc/53/56/92/494535692.db2.gz FTLHBVWYTSKRFM-UHFFFAOYSA-N 1 0 361.445 3.281 50 0 FGAARO Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)c(C)c1 ZINC000023127677 494551687 /nfs/dbraw/zinc/55/16/87/494551687.db2.gz RUWBUUILLMGJRS-UHFFFAOYSA-N 1 0 362.495 3.087 50 0 FGAARO CCOC(=O)c1ccc(OC[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000023230353 494556778 /nfs/dbraw/zinc/55/67/78/494556778.db2.gz VNSMXBQHDYTZJN-GOSISDBHSA-N 1 0 371.433 3.146 50 0 FGAARO CCSc1ncc(C[N@@H+]2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)cn1 ZINC000067541793 494562290 /nfs/dbraw/zinc/56/22/90/494562290.db2.gz OALNCWHBAUZGFW-AZUAARDMSA-N 1 0 357.523 3.404 50 0 FGAARO CCn1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c(C)n1 ZINC000091255038 494574585 /nfs/dbraw/zinc/57/45/85/494574585.db2.gz YARNMDVUCGMUET-GHTZIAJQSA-N 1 0 356.489 3.447 50 0 FGAARO Cc1c(C(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)[nH]c2c1c(C)ccc2C ZINC000091325986 494584221 /nfs/dbraw/zinc/58/42/21/494584221.db2.gz KQNBLMQNXSPEDI-SFHVURJKSA-N 1 0 369.509 3.420 50 0 FGAARO Cc1cc(F)ccc1CN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091326894 494584610 /nfs/dbraw/zinc/58/46/10/494584610.db2.gz SUCXLWUITLTLJK-QFIPXVFZSA-N 1 0 373.516 3.043 50 0 FGAARO CCc1nc(C)sc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 ZINC000091391368 494591741 /nfs/dbraw/zinc/59/17/41/494591741.db2.gz OZBRQDASYUUZOR-HZPDHXFCSA-N 1 0 370.522 3.146 50 0 FGAARO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000091452701 494600512 /nfs/dbraw/zinc/60/05/12/494600512.db2.gz KDCACEACNFKIGH-HXUWFJFHSA-N 1 0 364.436 3.198 50 0 FGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(SC)cc1)CC2 ZINC000091468717 494605456 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/nfs/dbraw/zinc/87/54/03/494875403.db2.gz RRXPZODMGUCMRB-OAHLLOKOSA-N 1 0 364.804 3.241 50 0 FGAARO Nc1ncccc1C[N@@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095356589 494962296 /nfs/dbraw/zinc/96/22/96/494962296.db2.gz QJKCAYPGEVHYNA-PWIZWCRZSA-N 1 0 370.447 3.004 50 0 FGAARO CC(C)(C)c1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)[nH]n1 ZINC000095357890 494962824 /nfs/dbraw/zinc/96/28/24/494962824.db2.gz IKEUCJTZJHWNMB-QFBILLFUSA-N 1 0 353.514 3.199 50 0 FGAARO CN(C)c1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000095361064 494963205 /nfs/dbraw/zinc/96/32/05/494963205.db2.gz BRRPMMVJFYZFFB-SIKLNZKXSA-N 1 0 363.505 3.489 50 0 FGAARO CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000095364105 494964619 /nfs/dbraw/zinc/96/46/19/494964619.db2.gz FHYGHGIJQBTPJC-HXUWFJFHSA-N 1 0 368.525 3.294 50 0 FGAARO COc1ccc(CNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)cc1OC ZINC000095372789 494967827 /nfs/dbraw/zinc/96/78/27/494967827.db2.gz JARCGYABRBFDJH-SFHVURJKSA-N 1 0 354.450 3.101 50 0 FGAARO COc1ccc(F)c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1F ZINC000095379556 494970129 /nfs/dbraw/zinc/97/01/29/494970129.db2.gz YSSLWGAMMRFULQ-HUUCEWRRSA-N 1 0 364.436 3.310 50 0 FGAARO O=C(NCc1cccc(N2CCCC2)c1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095386405 494971947 /nfs/dbraw/zinc/97/19/47/494971947.db2.gz FXGHBEQJXBDDMU-IBGZPJMESA-N 1 0 367.493 3.408 50 0 FGAARO O=C(c1cc(Cl)ccc1O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095387632 494972329 /nfs/dbraw/zinc/97/23/29/494972329.db2.gz VTSKKVSROQTSBN-DOTOQJQBSA-N 1 0 371.868 3.177 50 0 FGAARO CC[NH+](CC)[C@H](C)CNC(=O)c1sc2ccccc2c1C[S@@](C)=O ZINC000095405596 494973985 /nfs/dbraw/zinc/97/39/85/494973985.db2.gz XTROCEDEOUIWCA-OZAJXLCCSA-N 1 0 366.552 3.240 50 0 FGAARO CC[NH+](CC)[C@@H](C)CNC(=O)c1sc2ccccc2c1C[S@@](C)=O ZINC000095405595 494974174 /nfs/dbraw/zinc/97/41/74/494974174.db2.gz XTROCEDEOUIWCA-RZFZLAGVSA-N 1 0 366.552 3.240 50 0 FGAARO O=C(CCCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1)c1ccccc1 ZINC000095510408 494983617 /nfs/dbraw/zinc/98/36/17/494983617.db2.gz JHUHMFIARUEXAB-UYAOXDASSA-N 1 0 354.494 3.372 50 0 FGAARO Cc1nc(CN2CC[NH+](C[C@H]3CCOc4ccccc4C3)CC2)cs1 ZINC000095507915 494983698 /nfs/dbraw/zinc/98/36/98/494983698.db2.gz LDTBOGZLZYIIQY-KRWDZBQOSA-N 1 0 357.523 3.211 50 0 FGAARO CN(C)c1ncc(C[N@@H+]2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)cn1 ZINC000095512249 494984361 /nfs/dbraw/zinc/98/43/61/494984361.db2.gz AGZNSSQQHWRCLR-NRFANRHFSA-N 1 0 368.481 3.116 50 0 FGAARO C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1ccccc1OCc1ccccn1 ZINC000095522524 494986209 /nfs/dbraw/zinc/98/62/09/494986209.db2.gz WFOJAJHAHJIPCS-KRWDZBQOSA-N 1 0 354.454 3.266 50 0 FGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccnnc1 ZINC000095526577 494987054 /nfs/dbraw/zinc/98/70/54/494987054.db2.gz IOEJHHHSONVICY-SFHVURJKSA-N 1 0 370.472 3.033 50 0 FGAARO COc1cccc2c1OC[C@H](Cc1ccc(C3(O)CC[NH2+]CC3)cc1)C2 ZINC000095526981 494987326 /nfs/dbraw/zinc/98/73/26/494987326.db2.gz RKXGSIGJDAEGKV-QGZVFWFLSA-N 1 0 353.462 3.060 50 0 FGAARO COC(=O)c1ccc(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1 ZINC000095995462 494994173 /nfs/dbraw/zinc/99/41/73/494994173.db2.gz WRMFWZDQRIWSDH-YOEHRIQHSA-N 1 0 362.470 3.208 50 0 FGAARO CSC(C)(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013581 494996672 /nfs/dbraw/zinc/99/66/72/494996672.db2.gz DJDYINHLPRGZKJ-WBVHZDCISA-N 1 0 366.527 3.144 50 0 FGAARO COc1ccc(C(=O)c2ccccc2)c(OC[C@H](O)C[NH2+]C(C)(C)C)c1 ZINC000096028123 494997180 /nfs/dbraw/zinc/99/71/80/494997180.db2.gz SSDCSXXFGVAINS-MRXNPFEDSA-N 1 0 357.450 3.054 50 0 FGAARO CC(C)[N@@H+]1CC[C@H](CN2CCc3nc(-c4ccc(F)cc4F)[nH]c3C2)C1 ZINC000097499620 495037197 /nfs/dbraw/zinc/03/71/97/495037197.db2.gz PVANZKOGBOQMLJ-CQSZACIVSA-N 1 0 360.452 3.443 50 0 FGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCO[C@H](c2ccco2)C1 ZINC000128698864 495137085 /nfs/dbraw/zinc/13/70/85/495137085.db2.gz PRDAWHJNEZCSIW-LPHOPBHVSA-N 1 0 373.453 3.183 50 0 FGAARO CC[C@H](C(=O)N1CCC([NH2+]Cc2nc(C)ccc2O)CC1)c1ccccc1 ZINC000103344653 495222795 /nfs/dbraw/zinc/22/27/95/495222795.db2.gz JQCHVGVGSQXCRH-IBGZPJMESA-N 1 0 367.493 3.370 50 0 FGAARO CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)c2ccccc2C1 ZINC000103498179 495243086 /nfs/dbraw/zinc/24/30/86/495243086.db2.gz UTDYFKMCUAHKIT-UHFFFAOYSA-N 1 0 370.396 3.346 50 0 FGAARO C=C1C(C(=O)c2ccccc2)[N+](=O)c2cc(F)c(N3CCCC3)cc2N1O ZINC000136298262 495370524 /nfs/dbraw/zinc/37/05/24/495370524.db2.gz JPOHGBGZFNLFNA-UHFFFAOYSA-N 1 0 368.388 3.072 50 0 FGAARO COc1cc2c(cc1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)O[C@@H](C)C2 ZINC000170614680 495536297 /nfs/dbraw/zinc/53/62/97/495536297.db2.gz WQTKEDWISTTZRH-KXBFYZLASA-N 1 0 368.477 3.328 50 0 FGAARO COC[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000170681475 495562548 /nfs/dbraw/zinc/56/25/48/495562548.db2.gz ALBLYNRZSSXTOV-HZPDHXFCSA-N 1 0 352.356 3.209 50 0 FGAARO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@@H](C)CN2CCOCC2)C3)cs1 ZINC000181213683 496314328 /nfs/dbraw/zinc/31/43/28/496314328.db2.gz RLCFSLGNRKOSOC-ZDUSSCGKSA-N 1 0 363.552 3.259 50 0 FGAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ncn(C3CCCCC3)n2)C1 ZINC000184565418 496442943 /nfs/dbraw/zinc/44/29/43/496442943.db2.gz ZKOWJTWOKLLZOC-OAHLLOKOSA-N 1 0 362.522 3.415 50 0 FGAARO O=C(Nc1nnc(C2CCC2)[nH]1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000184570125 496443778 /nfs/dbraw/zinc/44/37/78/496443778.db2.gz IUUVHYJWKNBNLG-OAHLLOKOSA-N 1 0 357.433 3.062 50 0 FGAARO Cn1ccnc1[C@@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1ccccc1 ZINC000215943777 496984466 /nfs/dbraw/zinc/98/44/66/496984466.db2.gz VCLMOIVJICRPHT-SFHVURJKSA-N 1 0 352.482 3.034 50 0 FGAARO CCc1oc(C(=O)N2CCC[C@H](c3nnc(C)[nH]3)C2)cc1C[NH+](CC)CC ZINC000221267152 497018308 /nfs/dbraw/zinc/01/83/08/497018308.db2.gz LDMOBYUIDBCKDL-HNNXBMFYSA-N 1 0 373.501 3.130 50 0 FGAARO Cn1cc(-c2cccc(C[NH2+][C@@H](c3nccn3C)C3CCOCC3)c2)cn1 ZINC000225635080 497069864 /nfs/dbraw/zinc/06/98/64/497069864.db2.gz FUQVDCLSLJCPAP-HXUWFJFHSA-N 1 0 365.481 3.078 50 0 FGAARO CCc1noc(C[N@H+]2[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]3CCCC[C@H]32)n1 ZINC000230163309 497102822 /nfs/dbraw/zinc/10/28/22/497102822.db2.gz YXVBLHVNTIRXAK-UHDSXZAQSA-N 1 0 362.518 3.316 50 0 FGAARO COc1cccc2c1CC[C@@H]([NH2+]C1CCN(C(=O)c3ccoc3)CC1)C2 ZINC000192438854 497114711 /nfs/dbraw/zinc/11/47/11/497114711.db2.gz ZSXCKETWNVKQAI-GOSISDBHSA-N 1 0 354.450 3.040 50 0 FGAARO CCOc1ccc(-c2nc(C)c(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)s2)cc1 ZINC000236865393 497159063 /nfs/dbraw/zinc/15/90/63/497159063.db2.gz GEXAMYMNXVHROC-IUODEOHRSA-N 1 0 359.495 3.469 50 0 FGAARO CC(C)N(C)c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)cn1 ZINC000252494704 497306113 /nfs/dbraw/zinc/30/61/13/497306113.db2.gz OCHWBXJXRZPCQO-AWEZNQCLSA-N 1 0 354.454 3.108 50 0 FGAARO COCCN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)cn1 ZINC000252498450 497307666 /nfs/dbraw/zinc/30/76/66/497307666.db2.gz RCIYDWRUTBSYOF-OAQYLSRUSA-N 1 0 365.477 3.141 50 0 FGAARO CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000253370820 497328096 /nfs/dbraw/zinc/32/80/96/497328096.db2.gz WSRQDOAWIDSIPY-XWSJACJDSA-N 1 0 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/nfs/dbraw/zinc/18/71/64/494187164.db2.gz MVRWDKUMTPKJLT-UHFFFAOYSA-N 1 0 371.510 3.327 50 0 FGAARO COc1ccc(CCC(=O)NC[C@H]2CCC3(CC[NH+](C(C)C)CC3)O2)cc1 ZINC000011909402 494195936 /nfs/dbraw/zinc/19/59/36/494195936.db2.gz ALKHXIYJDHROCX-HXUWFJFHSA-N 1 0 374.525 3.166 50 0 FGAARO Cc1cccc2cc(CN(CC[NH+](C)C)C(=O)C3CCC3)c(N(C)C)nc12 ZINC000012053758 494201885 /nfs/dbraw/zinc/20/18/85/494201885.db2.gz SZDKGQVYJLOLGV-UHFFFAOYSA-N 1 0 368.525 3.300 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000012196397 494212925 /nfs/dbraw/zinc/21/29/25/494212925.db2.gz MBSDGLMZMZRXDQ-OAHLLOKOSA-N 1 0 361.829 3.493 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1ccc2c(c1)OCO2 ZINC000012196438 494213067 /nfs/dbraw/zinc/21/30/67/494213067.db2.gz KLMYGQBQDUZWHH-AWEZNQCLSA-N 1 0 364.804 3.241 50 0 FGAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3cc(C)on3)nc21 ZINC000012229571 494215767 /nfs/dbraw/zinc/21/57/67/494215767.db2.gz FAXYPTGSBNFPJB-UHFFFAOYSA-N 1 0 374.466 3.118 50 0 FGAARO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[NH2+]C1CC1 ZINC000012281661 494219295 /nfs/dbraw/zinc/21/92/95/494219295.db2.gz GEDFKBMUKRGISW-UHFFFAOYSA-N 1 0 368.462 3.425 50 0 FGAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)cc1 ZINC000012299575 494220564 /nfs/dbraw/zinc/22/05/64/494220564.db2.gz MVUBSRRBLTYOFF-IBGZPJMESA-N 1 0 361.449 3.393 50 0 FGAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)CC(F)(F)F)C2)cc1 ZINC000012304346 494221480 /nfs/dbraw/zinc/22/14/80/494221480.db2.gz HJTUKFGBQQIDFX-INIZCTEOSA-N 1 0 372.431 3.361 50 0 FGAARO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](Cc2cnc(C)[nH]2)C1 ZINC000012316679 494223600 /nfs/dbraw/zinc/22/36/00/494223600.db2.gz JITFOCCUZDAUPV-OAQYLSRUSA-N 1 0 355.482 3.415 50 0 FGAARO CC1(C)CC(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)CC(C)(C)[NH2+]1 ZINC000014135823 494304581 /nfs/dbraw/zinc/30/45/81/494304581.db2.gz BKSNOVJTPLEHKW-UHFFFAOYSA-N 1 0 366.509 3.400 50 0 FGAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)C1CCC1 ZINC000014948492 494330255 /nfs/dbraw/zinc/33/02/55/494330255.db2.gz IWYHWKJZYILJLY-UHFFFAOYSA-N 1 0 374.525 3.182 50 0 FGAARO Cc1ccc(C[NH2+]C[C@]2(O)CCCN(Cc3cccc(C)c3)C2=O)s1 ZINC000055569043 494362464 /nfs/dbraw/zinc/36/24/64/494362464.db2.gz CDOGXPFHRLGASJ-HXUWFJFHSA-N 1 0 358.507 3.008 50 0 FGAARO CN(C)S(=O)(=O)c1ccc(C[NH2+]C2(c3ccccc3)CCCCC2)o1 ZINC000079075142 494400521 /nfs/dbraw/zinc/40/05/21/494400521.db2.gz NOPVZTLYPGQVNG-UHFFFAOYSA-N 1 0 362.495 3.479 50 0 FGAARO C[C@@H](OC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N(C)Cc1ccccc1 ZINC000079104135 494404508 /nfs/dbraw/zinc/40/45/08/494404508.db2.gz APYBNQQSIMTJPP-IEBWSBKVSA-N 1 0 372.509 3.231 50 0 FGAARO CC(C)C[NH+]1CCC(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000045462904 494431337 /nfs/dbraw/zinc/43/13/37/494431337.db2.gz PDRLHNXTIMKDEJ-UHFFFAOYSA-N 1 0 372.488 3.495 50 0 FGAARO OCC[C@H]1C[N@H+](Cc2c[nH]c3ccccc23)CCN1Cc1ccc(F)cc1 ZINC000019771103 494459609 /nfs/dbraw/zinc/45/96/09/494459609.db2.gz LHQIVGHOYAFRSC-FQEVSTJZSA-N 1 0 367.468 3.376 50 0 FGAARO Cc1cc(C)c(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000019771045 494460370 /nfs/dbraw/zinc/46/03/70/494460370.db2.gz RVNAVTYAPWTQGU-JOCHJYFZSA-N 1 0 368.521 3.169 50 0 FGAARO Cc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2F)CC1 ZINC000022818206 494537505 /nfs/dbraw/zinc/53/75/05/494537505.db2.gz IDPMWFXYCAEYAT-KRWDZBQOSA-N 1 0 355.457 3.279 50 0 FGAARO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022932035 494542911 /nfs/dbraw/zinc/54/29/11/494542911.db2.gz FUEYTZZHLWDUGZ-UHFFFAOYSA-N 1 0 371.312 3.239 50 0 FGAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)c1ccc(Br)o1 ZINC000023014504 494546400 /nfs/dbraw/zinc/54/64/00/494546400.db2.gz QMDASOWWYNCEHD-UHFFFAOYSA-N 1 0 355.276 3.427 50 0 FGAARO CC(C)[C@@H](CNC(=O)COc1ccc2oc3c(c2c1)CCCC3)[NH+](C)C ZINC000023195879 494555595 /nfs/dbraw/zinc/55/55/95/494555595.db2.gz UNNIMPJPKAZGRB-GOSISDBHSA-N 1 0 358.482 3.393 50 0 FGAARO COc1ccc(CN2CC[N@@H+](C3CCCCC3)C[C@@H]2CCO)c(F)c1 ZINC000023375495 494562861 /nfs/dbraw/zinc/56/28/61/494562861.db2.gz 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CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccccc1F)Cc1ccccc1 ZINC000024688107 494654041 /nfs/dbraw/zinc/65/40/41/494654041.db2.gz VMPJCLVRVDTSRA-QGZVFWFLSA-N 1 0 364.486 3.057 50 0 FGAARO CCn1nc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1C ZINC000091724269 494657988 /nfs/dbraw/zinc/65/79/88/494657988.db2.gz MPDKEQPDUNABJI-UYAOXDASSA-N 1 0 366.509 3.256 50 0 FGAARO Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@H+]2CCOCc2ccccc2)C1 ZINC000091756359 494666612 /nfs/dbraw/zinc/66/66/12/494666612.db2.gz WKSJNSDFIVZGCL-LEWJYISDSA-N 1 0 369.509 3.404 50 0 FGAARO COc1ccc2c(c1)OC[C@@H](C[NH2+]C1CCN(Cc3ccco3)CC1)C2 ZINC000091747023 494666828 /nfs/dbraw/zinc/66/68/28/494666828.db2.gz PTUXKUNUUMAIPW-MRXNPFEDSA-N 1 0 356.466 3.094 50 0 FGAARO Cc1c([C@@H](C)NC(=O)CCC[NH+]2CCCC2)cnn1-c1cccc(F)c1 ZINC000091793612 494682572 /nfs/dbraw/zinc/68/25/72/494682572.db2.gz GXDMATFWXWOUMH-OAHLLOKOSA-N 1 0 358.461 3.373 50 0 FGAARO O=C(c1ccc(-n2ccnc2)cc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091807932 494687326 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CCOC(=O)C[C@H]1CC2=[N+](CCc3cc(OC)c(OC)cc32)C[C@@H]1CC ZINC000000638902 219307327 /nfs/dbraw/zinc/30/73/27/219307327.db2.gz GUUSKHLEUHKMSZ-GOEBONIOSA-N 1 0 360.474 3.061 50 0 FGAARO CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1NCC[NH+](C)C ZINC000000791328 219321874 /nfs/dbraw/zinc/32/18/74/219321874.db2.gz CHUHNISKKHDNMI-UHFFFAOYSA-N 1 0 355.360 3.404 50 0 FGAARO N=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@@H](O)c1ccccc1 ZINC000000845904 219329759 /nfs/dbraw/zinc/32/97/59/219329759.db2.gz OZKXFRXCVDFGHE-OAQYLSRUSA-N 1 0 364.493 3.142 50 0 FGAARO COC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCC(C)CC1)CCCC2 ZINC000000948410 219345902 /nfs/dbraw/zinc/34/59/02/219345902.db2.gz ICPWSZCAVWIEND-UHFFFAOYSA-N 1 0 364.511 3.474 50 0 FGAARO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1O ZINC000225424807 222840606 /nfs/dbraw/zinc/84/06/06/222840606.db2.gz RHKJSDIEPZYGSD-ZBFHGGJFSA-N 1 0 359.445 3.125 50 0 FGAARO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1nc2ccccc2s1 ZINC000225569351 222852118 /nfs/dbraw/zinc/85/21/18/222852118.db2.gz JOEQRSATPYVZMA-AWEZNQCLSA-N 1 0 361.536 3.244 50 0 FGAARO Cc1ccccc1NC(=O)CC[NH+]1CCC(OCc2ccccn2)CC1 ZINC000243892592 222923020 /nfs/dbraw/zinc/92/30/20/222923020.db2.gz AJLXYZOAWQISRL-UHFFFAOYSA-N 1 0 353.466 3.400 50 0 FGAARO COc1ccc(N2C[C@@](O)(c3ccc(F)cc3)[N+]3=C2CCCCC3)cc1 ZINC000002974579 219479173 /nfs/dbraw/zinc/47/91/73/219479173.db2.gz IGRCDQVVEHHVJE-OAQYLSRUSA-N 1 0 355.433 3.485 50 0 FGAARO [NH3+]CCc1c[nH]c2ccc(OC(=O)CCC(=O)OCc3ccccc3)cc12 ZINC000003018442 219482220 /nfs/dbraw/zinc/48/22/20/219482220.db2.gz YIVHNKLVYVUNEJ-UHFFFAOYSA-N 1 0 366.417 3.098 50 0 FGAARO COc1ccc(/C=C\C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(OC)c1 ZINC000006007382 219709468 /nfs/dbraw/zinc/70/94/68/219709468.db2.gz ZVOKLNVUMVKCEM-QXFGJRORSA-N 1 0 354.450 3.136 50 0 FGAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1ccnn1CC1CC1 ZINC000299758758 223083146 /nfs/dbraw/zinc/08/31/46/223083146.db2.gz OYFHLYIXEXSTMM-UHFFFAOYSA-N 1 0 367.497 3.327 50 0 FGAARO CCn1nc(C)c(-c2cccc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)c2)c1C 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357.498 3.260 50 0 FGAARO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000012594598 220011384 /nfs/dbraw/zinc/01/13/84/220011384.db2.gz RPIBFGJSIBICPZ-QFIPXVFZSA-N 1 0 369.509 3.191 50 0 FGAARO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012718943 220022544 /nfs/dbraw/zinc/02/25/44/220022544.db2.gz PYRHAGCHLDVRBE-LJQANCHMSA-N 1 0 357.542 3.278 50 0 FGAARO CCCC[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000013003339 220051889 /nfs/dbraw/zinc/05/18/89/220051889.db2.gz UOZYKKZVKUVSKF-CQSZACIVSA-N 1 0 357.376 3.025 50 0 FGAARO COc1cc(OC)c(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000013323151 220063971 /nfs/dbraw/zinc/06/39/71/220063971.db2.gz JKYIQOVJZJWAEO-UHFFFAOYSA-N 1 0 367.877 3.449 50 0 FGAARO Cc1cc(-c2ccc(CNCCC[NH2+]CCO)o2)ccc1Br ZINC000013733245 220091358 /nfs/dbraw/zinc/09/13/58/220091358.db2.gz WDJXCWTYXHZTDU-UHFFFAOYSA-N 1 0 367.287 3.079 50 0 FGAARO CCc1ccc(-c2nc(SC[C@H]3C[N@H+](CC(C)C)CCO3)n[nH]2)cc1 ZINC000014083145 220105321 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354.498 3.370 50 0 FGAARO Cc1nc(-c2ccc(Br)cc2)nc(OCC[NH+](C)C)c1C ZINC000058158976 221100661 /nfs/dbraw/zinc/10/06/61/221100661.db2.gz UOORXPRLKRHTKW-UHFFFAOYSA-N 1 0 350.260 3.463 50 0 FGAARO Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000058170308 221102883 /nfs/dbraw/zinc/10/28/83/221102883.db2.gz RXRROCHGBLSSAP-AZUAARDMSA-N 1 0 365.477 3.181 50 0 FGAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(=O)c2ccccc2o1 ZINC000058215089 221108031 /nfs/dbraw/zinc/10/80/31/221108031.db2.gz FUPQWZDBQIZWME-UHFFFAOYSA-N 1 0 368.408 3.136 50 0 FGAARO Cc1nn(-c2ccc(C)cc2C)nc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000058955020 221124001 /nfs/dbraw/zinc/12/40/01/221124001.db2.gz CHJUAWKHHBHHLI-DOTOQJQBSA-N 1 0 369.513 3.043 50 0 FGAARO C[NH+]1CCC(CCNC(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000060339592 221129355 /nfs/dbraw/zinc/12/93/55/221129355.db2.gz RYHZALMKOGDNQH-UHFFFAOYSA-N 1 0 365.315 3.329 50 0 FGAARO O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccccc2F)c1 ZINC000058228124 221110322 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CCN(CC[NH+]1CCCCCC1)C(=O)C[C@@H]1c2cc(C)ccc2NC1=O ZINC000065470441 221223304 /nfs/dbraw/zinc/22/33/04/221223304.db2.gz FUQUNZCTCRTNOT-GOSISDBHSA-N 1 0 357.498 3.145 50 0 FGAARO [NH3+]CCc1nc2ccccc2c(N(Cc2ccsc2)C[C@@H]2CCCO2)n1 ZINC000065398057 221211651 /nfs/dbraw/zinc/21/16/51/221211651.db2.gz QEIUOCXFQLOLKH-INIZCTEOSA-N 1 0 368.506 3.378 50 0 FGAARO Cc1ccc(-c2nc(N3CC[C@@H]([NH+](C)C)C3)ncc2-c2cncnc2)cc1 ZINC000065490422 221225724 /nfs/dbraw/zinc/22/57/24/221225724.db2.gz JGWXAIXHTBIBOP-GOSISDBHSA-N 1 0 360.465 3.049 50 0 FGAARO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2c(C)noc2C)c(OC)c1 ZINC000065497075 221227075 /nfs/dbraw/zinc/22/70/75/221227075.db2.gz DRIDQFHYGUTNFH-KRWDZBQOSA-N 1 0 373.453 3.474 50 0 FGAARO CCn1c(=O)n(Cc2cccc(-c3ccccc3)c2)nc1C1CC[NH2+]CC1 ZINC000065535689 221232475 /nfs/dbraw/zinc/23/24/75/221232475.db2.gz KHPHAWWCOOTZIH-UHFFFAOYSA-N 1 0 362.477 3.247 50 0 FGAARO C[NH2+][C@@H](C)C(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067641008 221263371 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O=C(CCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000069351988 221324143 /nfs/dbraw/zinc/32/41/43/221324143.db2.gz VOXQRFJCCOOCBY-FQEVSTJZSA-N 1 0 350.462 3.499 50 0 FGAARO CCc1[nH]c2c(cc(C)cc2CNC(=O)C[C@H]2C[N@@H+](C(C)C)CCO2)c1C ZINC000071589679 221352392 /nfs/dbraw/zinc/35/23/92/221352392.db2.gz ZOIFELVHEFPNEY-SFHVURJKSA-N 1 0 371.525 3.463 50 0 FGAARO Cc1cccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071754354 221364876 /nfs/dbraw/zinc/36/48/76/221364876.db2.gz LMCLTQHVBWKKPV-OAQYLSRUSA-N 1 0 369.553 3.294 50 0 FGAARO CNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(SC)cc3)oc2C)C1 ZINC000071756901 221365586 /nfs/dbraw/zinc/36/55/86/221365586.db2.gz CRXGSCSQOAPULY-HNNXBMFYSA-N 1 0 359.495 3.330 50 0 FGAARO COc1ccc([C@@H]2CN(C(=O)c3occc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071759470 221367096 /nfs/dbraw/zinc/36/70/96/221367096.db2.gz ZPQHNCFTBOMOQP-XUVXKRRUSA-N 1 0 366.461 3.299 50 0 FGAARO Cc1nc2cc(C(=O)N3CCC[N@H+](CC4CC4)[C@@H](C(C)C)C3)ccc2[nH]1 ZINC000071760981 221368257 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C[C@@H](Nc1nc(-c2ccccc2)nc2c1CC[NH2+]CC2)c1nccs1 ZINC000072477589 221551027 /nfs/dbraw/zinc/55/10/27/221551027.db2.gz JQKIDBOQEPTRNK-CYBMUJFWSA-N 1 0 351.479 3.461 50 0 FGAARO O=C1CCC2(CC[NH2+]CC2)CN1Cc1cc(-c2ccccc2Cl)on1 ZINC000091587227 221770495 /nfs/dbraw/zinc/77/04/95/221770495.db2.gz YBJUDZVGWYKHLS-UHFFFAOYSA-N 1 0 359.857 3.487 50 0 FGAARO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)C[C@H]1[NH+](C)C ZINC000095502623 221929925 /nfs/dbraw/zinc/92/99/25/221929925.db2.gz DRPZSCSUPXWDMN-GXTWGEPZSA-N 1 0 365.326 3.200 50 0 FGAARO CCSc1ccc(NC(=O)N2CC[N@H+](CC3CC3)[C@H](CCO)C2)cc1 ZINC000096151095 222053589 /nfs/dbraw/zinc/05/35/89/222053589.db2.gz OLVRMPZZXSUDDZ-QGZVFWFLSA-N 1 0 363.527 3.109 50 0 FGAARO O=S1(=O)CC[C@H]([NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000097016440 222150720 /nfs/dbraw/zinc/15/07/20/222150720.db2.gz DPCLSWABMLCXFR-ROUUACIJSA-N 1 0 351.418 3.025 50 0 FGAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC2(COC(=O)O2)CC1 ZINC000097636696 222201461 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COc1cccc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)c1 ZINC000001179414 493788285 /nfs/dbraw/zinc/78/82/85/493788285.db2.gz BJNZUFRPLNOFQY-UHFFFAOYSA-N 1 0 352.478 3.266 50 0 FGAARO CC(C)(C)c1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000002175391 493802024 /nfs/dbraw/zinc/80/20/24/493802024.db2.gz AFNBEVRZFJQHIL-UHFFFAOYSA-N 1 0 359.514 3.348 50 0 FGAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000002140269 493802121 /nfs/dbraw/zinc/80/21/21/493802121.db2.gz KYENPTAFVREFDV-HNNXBMFYSA-N 1 0 355.482 3.326 50 0 FGAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC000002294505 493804361 /nfs/dbraw/zinc/80/43/61/493804361.db2.gz HZKUUCYPUXPHFK-UHFFFAOYSA-N 1 0 357.454 3.323 50 0 FGAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000002288435 493804620 /nfs/dbraw/zinc/80/46/20/493804620.db2.gz ITAMNCHIKFTKGY-GFCCVEGCSA-N 1 0 361.417 3.154 50 0 FGAARO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C(=O)OC)[nH]c2cccc(OC)c21 ZINC000002416676 493807908 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COc1ccc([C@H](CNC(=O)c2ccc[nH]c2=S)[NH+]2CCCCC2)cc1 ZINC000003399335 493843002 /nfs/dbraw/zinc/84/30/02/493843002.db2.gz RPYXSGAZLSQVAD-SFHVURJKSA-N 1 0 371.506 3.336 50 0 FGAARO CC(C)c1ncc(Cl)c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000058391590 493849062 /nfs/dbraw/zinc/84/90/62/493849062.db2.gz USDNLMMSFLAMIL-UHFFFAOYSA-N 1 0 372.900 3.432 50 0 FGAARO [NH3+][C@@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc(O)cc1)c1ccccc1 ZINC000003850984 493858208 /nfs/dbraw/zinc/85/82/08/493858208.db2.gz YOFRXGREGJMUQN-VQTJNVASSA-N 1 0 368.458 3.112 50 0 FGAARO O=S(=O)(c1ccc(Cl)cc1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000004327888 493873112 /nfs/dbraw/zinc/87/31/12/493873112.db2.gz ITQYQYUSZHSEHY-UHFFFAOYSA-N 1 0 356.919 3.369 50 0 FGAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000004451893 493877102 /nfs/dbraw/zinc/87/71/02/493877102.db2.gz HBCONAPDTOOBFK-FRXJQHJJSA-N 1 0 368.477 3.133 50 0 FGAARO CCCC[N@H+](C)CCNC(=O)c1cc2c(s1)c1ccccc1[nH]c2=O ZINC000004929519 493900674 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O=C1CC[C@]2(CCC[N@H+](Cc3ccc(F)c(Cl)c3)C2)CN1CCCO ZINC000082096411 493978165 /nfs/dbraw/zinc/97/81/65/493978165.db2.gz JRFBLDMXDJSAMG-IBGZPJMESA-N 1 0 368.880 3.066 50 0 FGAARO CCCC[N@H+](C)CCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O ZINC000006771939 493978896 /nfs/dbraw/zinc/97/88/96/493978896.db2.gz PXIOFNVUUUMRGW-UHFFFAOYSA-N 1 0 371.506 3.215 50 0 FGAARO O=C1Nc2ccccc2NC12CC[NH+](CC[C@H](O)c1ccccc1)CC2 ZINC000082121986 493980176 /nfs/dbraw/zinc/98/01/76/493980176.db2.gz GABPAOYDAQGDQQ-IBGZPJMESA-N 1 0 351.450 3.009 50 0 FGAARO CN(C(=O)c1cc(-c2ccncc2)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000006832112 493982423 /nfs/dbraw/zinc/98/24/23/493982423.db2.gz LSTDDJNNAUAVDJ-UHFFFAOYSA-N 1 0 360.461 3.463 50 0 FGAARO Cc1cc(C)c2nc(-c3cn[nH]c3)cc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC000032516079 493994626 /nfs/dbraw/zinc/99/46/26/493994626.db2.gz WFBVEXPEJANQKY-MRXNPFEDSA-N 1 0 363.465 3.066 50 0 FGAARO Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000007105592 494000894 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O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1ccccc1C(=O)NC1CC1 ZINC000008040341 494062355 /nfs/dbraw/zinc/06/23/55/494062355.db2.gz BPGLCSOARPRZHS-HZPDHXFCSA-N 1 0 355.482 3.029 50 0 FGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000008040168 494062644 /nfs/dbraw/zinc/06/26/44/494062644.db2.gz LLMBCLKMXPCWBN-SFHVURJKSA-N 1 0 350.422 3.032 50 0 FGAARO O=C1CCCN1CC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000077392437 494074437 /nfs/dbraw/zinc/07/44/37/494074437.db2.gz FIPYJSGPYLPGKP-LJQANCHMSA-N 1 0 352.482 3.239 50 0 FGAARO CN(Cc1ccc(C[NH+]2CCCC2)s1)Cc1nc(-c2ccncc2)no1 ZINC000077422948 494080829 /nfs/dbraw/zinc/08/08/29/494080829.db2.gz DVODKQAXKMJGBN-UHFFFAOYSA-N 1 0 369.494 3.421 50 0 FGAARO COc1ccccc1-c1ncc(C[NH+]2CCC(CNC(C)=O)CC2)s1 ZINC000077427542 494081552 /nfs/dbraw/zinc/08/15/52/494081552.db2.gz YGVICODBXNMZOX-UHFFFAOYSA-N 1 0 359.495 3.167 50 0 FGAARO COCCC[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1C ZINC000036031065 494084269 /nfs/dbraw/zinc/08/42/69/494084269.db2.gz 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494127050 /nfs/dbraw/zinc/12/70/50/494127050.db2.gz IUXMLIDIQFKORN-UHFFFAOYSA-N 1 0 365.462 3.429 50 0 FGAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cc(F)ccc2F)CC1 ZINC000040089845 494130947 /nfs/dbraw/zinc/13/09/47/494130947.db2.gz KKBCRXFSYWCOMI-UHFFFAOYSA-N 1 0 373.447 3.032 50 0 FGAARO O=C(c1[nH]nc2c1COc1ccccc1-2)N1CC[NH+](C2CCCCC2)CC1 ZINC000009728651 494132228 /nfs/dbraw/zinc/13/22/28/494132228.db2.gz QCYZYYYRTYAZQQ-UHFFFAOYSA-N 1 0 366.465 3.060 50 0 FGAARO Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000072140576 494132216 /nfs/dbraw/zinc/13/22/16/494132216.db2.gz MFYPLDVSLCPWBY-GOSISDBHSA-N 1 0 367.493 3.461 50 0 FGAARO COc1ccc(-c2n[nH]cc2C[NH+]2CC(c3ccncc3)C2)cc1OC ZINC000072140371 494132222 /nfs/dbraw/zinc/13/22/22/494132222.db2.gz FCOOTZBOBRLRLL-UHFFFAOYSA-N 1 0 350.422 3.088 50 0 FGAARO Cc1cccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cnc(N(C)C)nc4)C3)nc21 ZINC000072144862 494132958 /nfs/dbraw/zinc/13/29/58/494132958.db2.gz NLFSELQIAZVNOR-MRXNPFEDSA-N 1 0 350.470 3.107 50 0 FGAARO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)c1ccsc1 ZINC000040107980 494133128 /nfs/dbraw/zinc/13/31/28/494133128.db2.gz ONAOXAKTMCHXDI-KRWDZBQOSA-N 1 0 371.510 3.085 50 0 FGAARO CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000040120656 494133970 /nfs/dbraw/zinc/13/39/70/494133970.db2.gz WQMKENBKLWQISP-LSDHHAIUSA-N 1 0 362.474 3.497 50 0 FGAARO CSc1ncccc1C(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072146873 494134680 /nfs/dbraw/zinc/13/46/80/494134680.db2.gz VUZFMFACLHGQDF-SFHVURJKSA-N 1 0 367.518 3.119 50 0 FGAARO CC[NH+](CC)[C@H](CNC(=O)c1cnc2onc(C)c2c1)c1ccsc1 ZINC000040121265 494134934 /nfs/dbraw/zinc/13/49/34/494134934.db2.gz ZFUAFYPSRRDZDW-MRXNPFEDSA-N 1 0 358.467 3.406 50 0 FGAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+]2CCC[C@@]3(CNC(=O)O3)CC2)n1 ZINC000072158446 494138580 /nfs/dbraw/zinc/13/85/80/494138580.db2.gz ZBMFEKQEAKSYAO-FQEVSTJZSA-N 1 0 372.444 3.093 50 0 FGAARO C[N@H+](CCCNC(=O)c1cnn(Cc2ccccc2)c1)Cc1ccccc1 ZINC000009983420 494139393 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CCCNc1ncc(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000072426919 494171292 /nfs/dbraw/zinc/17/12/92/494171292.db2.gz TXEXRPAOTFZDSF-UHFFFAOYSA-N 1 0 369.557 3.385 50 0 FGAARO c1cn(CCCSc2ccccc2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072431241 494173038 /nfs/dbraw/zinc/17/30/38/494173038.db2.gz LJMRMHXQKOJILV-UHFFFAOYSA-N 1 0 353.495 3.422 50 0 FGAARO Cc1ccc(S[C@@H](C)C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)cc1 ZINC000072432525 494174207 /nfs/dbraw/zinc/17/42/07/494174207.db2.gz NTMVDFGAPPZQGT-HNNXBMFYSA-N 1 0 355.507 3.141 50 0 FGAARO OC1CC[NH+](C2CCN(Cc3ccc(-c4cccnc4)cc3)CC2)CC1 ZINC000072439889 494175102 /nfs/dbraw/zinc/17/51/02/494175102.db2.gz OLSBIYQXRNKGQC-UHFFFAOYSA-N 1 0 351.494 3.170 50 0 FGAARO O=C(Cc1cccn1-c1ccccc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000065170966 494177040 /nfs/dbraw/zinc/17/70/40/494177040.db2.gz LHDZTJABXNXBBU-UHFFFAOYSA-N 1 0 359.473 3.194 50 0 FGAARO COCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]3)CC[C@H]21 ZINC000072477645 494181055 /nfs/dbraw/zinc/18/10/55/494181055.db2.gz 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ZINC000011676679 494185953 /nfs/dbraw/zinc/18/59/53/494185953.db2.gz ILIDZVOIYXWTJZ-UHFFFAOYSA-N 1 0 363.486 3.482 50 0 FGAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000011934757 494196855 /nfs/dbraw/zinc/19/68/55/494196855.db2.gz UNZFTJQKOPVFKN-LJQANCHMSA-N 1 0 356.470 3.255 50 0 FGAARO O=C(NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1)c1ccccc1F ZINC000012197168 494212888 /nfs/dbraw/zinc/21/28/88/494212888.db2.gz UAMVKNLYTUTZPN-KRWDZBQOSA-N 1 0 356.397 3.121 50 0 FGAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3ccncc3)CC2)cc1 ZINC000012202087 494214141 /nfs/dbraw/zinc/21/41/41/494214141.db2.gz AKLFNLCFTBKWQV-UHFFFAOYSA-N 1 0 367.493 3.117 50 0 FGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)CCSC)CC1 ZINC000012314588 494223624 /nfs/dbraw/zinc/22/36/24/494223624.db2.gz OVBRXUOUQCTZQV-UHFFFAOYSA-N 1 0 364.555 3.161 50 0 FGAARO COc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCCN(CC1CC1)C3=O)CCC2 ZINC000012385811 494228606 /nfs/dbraw/zinc/22/86/06/494228606.db2.gz ZXZUWWXPUIHDRC-QHCPKHFHSA-N 1 0 368.521 3.408 50 0 FGAARO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000012382483 494228847 /nfs/dbraw/zinc/22/88/47/494228847.db2.gz DBUTWGNWNRQZSE-CYBMUJFWSA-N 1 0 369.303 3.205 50 0 FGAARO C[N@H+](C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O)C1CCCCC1 ZINC000012442117 494233264 /nfs/dbraw/zinc/23/32/64/494233264.db2.gz IMXPUZGLKKJEPI-HXUWFJFHSA-N 1 0 366.452 3.083 50 0 FGAARO Cc1nc(CN(C)Cc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000055226139 494316660 /nfs/dbraw/zinc/31/66/60/494316660.db2.gz NEHFWCDMOUMLRD-INIZCTEOSA-N 1 0 358.486 3.121 50 0 FGAARO Cc1cc(N[C@H](CC[NH+](C)C)C(C)(C)C)n2nc(C(F)(F)F)nc2n1 ZINC000089595954 494328400 /nfs/dbraw/zinc/32/84/00/494328400.db2.gz XRKDYSBGQAWROM-LLVKDONJSA-N 1 0 358.412 3.230 50 0 FGAARO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1I ZINC000078606756 494329166 /nfs/dbraw/zinc/32/91/66/494329166.db2.gz WZNCNGUTZRHNEL-MNOVXSKESA-N 1 0 360.239 3.252 50 0 FGAARO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(OC)c(OC)c1Br ZINC000079075181 494400288 /nfs/dbraw/zinc/40/02/88/494400288.db2.gz KYPSXQDIKVGIFO-INIZCTEOSA-N 1 0 374.275 3.288 50 0 FGAARO Cc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000020906009 494482760 /nfs/dbraw/zinc/48/27/60/494482760.db2.gz MMMJRGAVMJKWDQ-NRFANRHFSA-N 1 0 365.521 3.487 50 0 FGAARO C[NH+](C)C[C@@H]1CSCCCN1C(=O)NCc1cccc2ccccc21 ZINC000090608927 494487233 /nfs/dbraw/zinc/48/72/33/494487233.db2.gz QEYIWZQUJJEFNR-GOSISDBHSA-N 1 0 357.523 3.419 50 0 FGAARO CC[C@@H](OC[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000022870662 494540070 /nfs/dbraw/zinc/54/00/70/494540070.db2.gz NUSRKGCTOQJRPV-XZOQPEGZSA-N 1 0 368.521 3.333 50 0 FGAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000022902764 494540715 /nfs/dbraw/zinc/54/07/15/494540715.db2.gz FUCRYEJIGHWRTG-UHFFFAOYSA-N 1 0 373.522 3.246 50 0 FGAARO C[NH+](C)CCN1COc2ccc3cc(-c4ccc(F)cc4)c(=O)oc3c2C1 ZINC000022935838 494543164 /nfs/dbraw/zinc/54/31/64/494543164.db2.gz JKIJKNLOFQXMCU-UHFFFAOYSA-N 1 0 368.408 3.313 50 0 FGAARO COc1ccc2[nH]c(CN3CC[N@H+](CCC(C)C)[C@@H](CCO)C3)c(C)c2c1 ZINC000022932947 494543900 /nfs/dbraw/zinc/54/39/00/494543900.db2.gz PCKRYJCGFLZLGM-SFHVURJKSA-N 1 0 373.541 3.400 50 0 FGAARO Cn1cc(C[N@@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)c2ccccc21 ZINC000023128751 494551845 /nfs/dbraw/zinc/55/18/45/494551845.db2.gz FSLMLNWLHZLVRG-IBGZPJMESA-N 1 0 369.534 3.309 50 0 FGAARO CC(C)[C@H](CNC(=O)COc1ccc2oc3c(c2c1)CCCC3)[NH+](C)C ZINC000023195882 494555269 /nfs/dbraw/zinc/55/52/69/494555269.db2.gz UNNIMPJPKAZGRB-SFHVURJKSA-N 1 0 358.482 3.393 50 0 FGAARO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000074540165 494555906 /nfs/dbraw/zinc/55/59/06/494555906.db2.gz CMBPIJBJGUUGJD-KRWDZBQOSA-N 1 0 357.498 3.434 50 0 FGAARO OCC[C@H]1C[N@H+](Cc2cccc3cnccc32)CCN1Cc1ccsc1 ZINC000023358695 494562368 /nfs/dbraw/zinc/56/23/68/494562368.db2.gz QOZPJUKJBKXFQX-FQEVSTJZSA-N 1 0 367.518 3.365 50 0 FGAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@@H]2CCO)cc1C ZINC000023375322 494563622 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CC1(C)CC(NC(=O)c2cccnc2OCC(F)(F)F)CC(C)(C)[NH2+]1 ZINC000024680979 494654488 /nfs/dbraw/zinc/65/44/88/494654488.db2.gz KMOCKAOOMCQELV-UHFFFAOYSA-N 1 0 359.392 3.062 50 0 FGAARO c1cncc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccc4nsnc4c3)C2)c1 ZINC000091829547 494694726 /nfs/dbraw/zinc/69/47/26/494694726.db2.gz WBJNGCKBKQWOMU-ZWKOTPCHSA-N 1 0 365.506 3.183 50 0 FGAARO Cc1noc(C)c1CN1CC2(CC1=O)CC[NH+](Cc1cccc(C)n1)CC2 ZINC000091848713 494703967 /nfs/dbraw/zinc/70/39/67/494703967.db2.gz SZTFKNVUVITOID-UHFFFAOYSA-N 1 0 368.481 3.010 50 0 FGAARO CC[C@H]([NH2+]Cc1cc(=O)c2cccc(Cl)c2[nH]1)c1cn2cccnc2n1 ZINC000091872688 494711689 /nfs/dbraw/zinc/71/16/89/494711689.db2.gz GBSWMSMFZBOQIU-HNNXBMFYSA-N 1 0 367.840 3.465 50 0 FGAARO COCCCN1CCC[C@]2(CC[N@H+](Cc3ccc4ccn(C)c4c3)C2)C1=O ZINC000091873079 494712087 /nfs/dbraw/zinc/71/20/87/494712087.db2.gz ZWPILQIYRLEOFZ-JOCHJYFZSA-N 1 0 369.509 3.029 50 0 FGAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C)cc1OC)CC2 ZINC000091877036 494712229 /nfs/dbraw/zinc/71/22/29/494712229.db2.gz GCUVRVHGOJYFNK-UHFFFAOYSA-N 1 0 374.525 3.245 50 0 FGAARO Cc1ccccc1-n1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cn1 ZINC000092064959 494773669 /nfs/dbraw/zinc/77/36/69/494773669.db2.gz YLOVNHMFNGVDDP-VQTJNVASSA-N 1 0 364.493 3.014 50 0 FGAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000092077573 494783069 /nfs/dbraw/zinc/78/30/69/494783069.db2.gz HBKWCTFSAPAMHM-UHFFFAOYSA-N 1 0 356.518 3.363 50 0 FGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccccc3)n(C)n1)C2 ZINC000092107827 494794382 /nfs/dbraw/zinc/79/43/82/494794382.db2.gz OHYNRSVALHTHCL-SJLPKXTDSA-N 1 0 352.482 3.034 50 0 FGAARO CC(C)C[NH+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)CC(C)C ZINC000026647411 494833283 /nfs/dbraw/zinc/83/32/83/494833283.db2.gz XNATUPBDGVORCC-UHFFFAOYSA-N 1 0 367.921 3.351 50 0 FGAARO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@H]3CC[NH2+]C3)cc12 ZINC000127217724 494911346 /nfs/dbraw/zinc/91/13/46/494911346.db2.gz IBIYTPPNVBHQQU-ZDUSSCGKSA-N 1 0 374.897 3.200 50 0 FGAARO Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095358647 494962239 /nfs/dbraw/zinc/96/22/39/494962239.db2.gz SURJPPIRBRWWCF-UHFFFAOYSA-N 1 0 354.498 3.327 50 0 FGAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000095357245 494962736 /nfs/dbraw/zinc/96/27/36/494962736.db2.gz UHAPVAWDSVUFCE-IBGZPJMESA-N 1 0 362.905 3.387 50 0 FGAARO CCn1c(C)cc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH+](C)C)C2)c1C ZINC000095359170 494963638 /nfs/dbraw/zinc/96/36/38/494963638.db2.gz DEEYOMGLZGPWOB-LEWJYISDSA-N 1 0 369.509 3.303 50 0 FGAARO Cc1ccccc1C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095364289 494964263 /nfs/dbraw/zinc/96/42/63/494964263.db2.gz HEXWJMPBPWESRW-UHFFFAOYSA-N 1 0 354.498 3.163 50 0 FGAARO COc1ccc([C@@H]2CN(C(=O)c3ccccc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095361502 494964628 /nfs/dbraw/zinc/96/46/28/494964628.db2.gz IVBVLZXDDYSCSU-BHDDXSALSA-N 1 0 362.473 3.398 50 0 FGAARO Cc1nc2cc(CNC(=O)[C@H]3CCC[N@@H+](C4CCCC4)C3)ccc2n1C ZINC000095368426 494966310 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367.493 3.477 50 0 FGAARO COc1cc(C(=O)NCCc2ccc(C)o2)ccc1OC1CC[NH+](C)CC1 ZINC000095508492 494983589 /nfs/dbraw/zinc/98/35/89/494983589.db2.gz SKJSWLNJJOQKIT-UHFFFAOYSA-N 1 0 372.465 3.042 50 0 FGAARO O=C(Cc1c(F)cccc1Cl)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095531453 494989850 /nfs/dbraw/zinc/98/98/50/494989850.db2.gz QZIOTLDVIYPCFY-HUUCEWRRSA-N 1 0 350.865 3.354 50 0 FGAARO COC(=O)[C@@H](NC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000095943536 494990661 /nfs/dbraw/zinc/99/06/61/494990661.db2.gz UQUYQJCTVGMFMF-NRFANRHFSA-N 1 0 370.468 3.337 50 0 FGAARO C[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)C12CC3CC(CC(C3)C1)C2 ZINC000095962680 494992350 /nfs/dbraw/zinc/99/23/50/494992350.db2.gz RWUJYFTVKUEXJR-IHWZXDPASA-N 1 0 368.568 3.382 50 0 FGAARO O=C(CCc1ccccc1)N1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000170594607 495530695 /nfs/dbraw/zinc/53/06/95/495530695.db2.gz BWPADDUKSZXRJQ-UHFFFAOYSA-N 1 0 366.505 3.370 50 0 FGAARO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cnc(-c3ccc(C)o3)s2)C1(C)C ZINC000170602244 495532646 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CC(C)n1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c2ccccc21 ZINC000247975987 496937071 /nfs/dbraw/zinc/93/70/71/496937071.db2.gz FNYVCRKDWSSCDG-UHFFFAOYSA-N 1 0 371.506 3.202 50 0 FGAARO CC[C@H](CO)[NH2+]Cc1nn(Cc2ccccc2C)nc1-c1ccccc1 ZINC000248138195 496961524 /nfs/dbraw/zinc/96/15/24/496961524.db2.gz DINSGIVCJGPGJH-LJQANCHMSA-N 1 0 350.466 3.162 50 0 FGAARO CC(C)C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000248217205 496973673 /nfs/dbraw/zinc/97/36/73/496973673.db2.gz GQYGZNQHVLSMCN-XLIONFOSSA-N 1 0 361.505 3.279 50 0 FGAARO COc1cc2c(cc1C[N@@H+]1CC[C@@](O)(c3ccccc3C)C1)OCCCO2 ZINC000215115287 496977325 /nfs/dbraw/zinc/97/73/25/496977325.db2.gz PVLFANLIXZNHKV-QFIPXVFZSA-N 1 0 369.461 3.258 50 0 FGAARO OC[C@H]1COCCN1Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000215688453 496982174 /nfs/dbraw/zinc/98/21/74/496982174.db2.gz LOCNAOVBFWEHAR-HNNXBMFYSA-N 1 0 365.832 3.251 50 0 FGAARO CC(C)c1ccc(-n2cc(CN3CC[C@@]4(CN(C)C(=O)O4)C3)cn2)cc1 ZINC000215679933 496982409 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CC(C)c1cccc2c1CCN(C(=O)c1cnn([C@H]3CCC[NH2+]C3)c1)C2 ZINC000333230751 498945860 /nfs/dbraw/zinc/94/58/60/498945860.db2.gz BXVVTHWSAVZGDU-SFHVURJKSA-N 1 0 352.482 3.130 50 0 FGAARO CCn1nc(CN[C@@H](C[NH+](C)C)c2ccc(OC)cc2)c2ccccc21 ZINC000284100770 499049387 /nfs/dbraw/zinc/04/93/87/499049387.db2.gz RZNKYHOXVYBZNR-FQEVSTJZSA-N 1 0 352.482 3.457 50 0 FGAARO COc1ccc(-n2cccn2)c(C[N@H+]2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)c1 ZINC000426490522 500279423 /nfs/dbraw/zinc/27/94/23/500279423.db2.gz QRHSJCSGPHYRFY-HLAWJBBLSA-N 1 0 371.481 3.039 50 0 FGAARO CC[C@@H]1CN(C(=O)c2cccc(-c3ccc(N)nc3C)c2)CC[N@@H+]1C(C)C ZINC000426495549 500280210 /nfs/dbraw/zinc/28/02/10/500280210.db2.gz AUDHTFASVAQISO-LJQANCHMSA-N 1 0 366.509 3.414 50 0 FGAARO Cc1cccc([C@@H](NC(=O)c2cc(Cl)ccc2OCC[NH3+])C2CC2)n1 ZINC000426530366 500286001 /nfs/dbraw/zinc/28/60/01/500286001.db2.gz DXHQSEGKRNEROI-SFHVURJKSA-N 1 0 359.857 3.262 50 0 FGAARO COc1cc(OC)cc(-c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)c1 ZINC000426597242 500292909 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O=C(NCc1cccc(OCc2ccccc2)c1)NCC1CC[NH2+]CC1 ZINC000519357802 504200740 /nfs/dbraw/zinc/20/07/40/504200740.db2.gz XJXRYMWVXGIUON-UHFFFAOYSA-N 1 0 353.466 3.064 50 0 FGAARO Cc1[nH]nc(C2CC2)c1-c1cccc(C(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000534644108 504201731 /nfs/dbraw/zinc/20/17/31/504201731.db2.gz WIGLVEBKJBAKIW-UHFFFAOYSA-N 1 0 352.482 3.429 50 0 FGAARO O=C(NCC[NH+]1CCCC1)c1cccc(-c2cc3ccccc3[nH]c2=O)c1 ZINC000534650506 504203214 /nfs/dbraw/zinc/20/32/14/504203214.db2.gz NOBQKGFSMBJVOB-UHFFFAOYSA-N 1 0 361.445 3.433 50 0 FGAARO Cc1ccccc1[C@H](CNC(=O)N1CC(Oc2ccc(F)cc2)C1)[NH+](C)C ZINC000534655052 504205390 /nfs/dbraw/zinc/20/53/90/504205390.db2.gz HYTFFTIGGMGODK-FQEVSTJZSA-N 1 0 371.456 3.210 50 0 FGAARO CC(C)[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000584902443 507563739 /nfs/dbraw/zinc/56/37/39/507563739.db2.gz WZLSUSNJYWXNAE-SFHVURJKSA-N 1 0 373.476 3.230 50 0 FGAARO Cc1ccc2c(C)nc(N3CCC[C@H]([NH2+]C[C@H]4CCCO4)CC3)nc2c1 ZINC000299781213 534376592 /nfs/dbraw/zinc/37/65/92/534376592.db2.gz URXQKFHCPNSEJN-ZWKOTPCHSA-N 1 0 354.498 3.374 50 0 FGAARO O[C@H](c1ccncc1)c1ccc2c(c1)C[N@H+](C1CCSCC1)CCO2 ZINC000299770687 534435265 /nfs/dbraw/zinc/43/52/65/534435265.db2.gz VFIZAJUIHNRDFC-HXUWFJFHSA-N 1 0 356.491 3.253 50 0 FGAARO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000240407401 519673750 /nfs/dbraw/zinc/67/37/50/519673750.db2.gz FLYOSIMGBHQVTC-BEFAXECRSA-N 1 0 365.468 3.170 50 0 FGAARO CC(C)Nc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccs3)CC2)cn1 ZINC000082083649 519741959 /nfs/dbraw/zinc/74/19/59/519741959.db2.gz RWNCIRWDTKFGNT-MRXNPFEDSA-N 1 0 373.526 3.143 50 0 FGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)Nc3ccc(OCC)cc3)cc2C1 ZINC000082120241 519854746 /nfs/dbraw/zinc/85/47/46/519854746.db2.gz HQMLJZJFIHVGBZ-UHFFFAOYSA-N 1 0 371.485 3.219 50 0 FGAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(N3CCOCC3)cc2C)C[C@H]1C ZINC000239672594 521712014 /nfs/dbraw/zinc/71/20/14/521712014.db2.gz BTYSAOAEUAKXQK-QZTJIDSGSA-N 1 0 374.529 3.168 50 0 FGAARO CCc1cnc(C)nc1NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000082125659 522002139 /nfs/dbraw/zinc/00/21/39/522002139.db2.gz MMLCQWVOIMVEDE-UHFFFAOYSA-N 1 0 354.502 3.304 50 0 FGAARO Cc1nc[nH]c1C[NH+]1CCC2(C[C@@H]2C(=O)NCCC2=CCCCC2)CC1 ZINC000299783802 534718075 /nfs/dbraw/zinc/71/80/75/534718075.db2.gz ZASAKEQZQJEKSM-GOSISDBHSA-N 1 0 356.514 3.327 50 0 FGAARO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000241338672 524366294 /nfs/dbraw/zinc/36/62/94/524366294.db2.gz MCWLSFXHFRIMIV-YRWFTTLQSA-N 1 0 358.530 3.212 50 0 FGAARO O[C@H](CSc1ccc(F)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020384987 526293222 /nfs/dbraw/zinc/29/32/22/526293222.db2.gz CYMCGSOUPKNTGU-SFHVURJKSA-N 1 0 364.461 3.240 50 0 FGAARO O=C(CC[NH+]1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1F ZINC000019841602 526487963 /nfs/dbraw/zinc/48/79/63/526487963.db2.gz LEUDQUINAHKKPM-RMKNXTFCSA-N 1 0 367.468 3.485 50 0 FGAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)NC1CCCCC1 ZINC000082109674 526645002 /nfs/dbraw/zinc/64/50/02/526645002.db2.gz YQZHGCCETJEKCZ-UHFFFAOYSA-N 1 0 359.518 3.163 50 0 FGAARO O=C(c1ccnc(N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1)N1CCCC1 ZINC000091621121 526846071 /nfs/dbraw/zinc/84/60/71/526846071.db2.gz ACGZSYOKCVJEPC-UYAOXDASSA-N 1 0 368.525 3.018 50 0 FGAARO O=C1CCC2(CC[NH+](CCOCc3ccccc3)CC2)CN1CC1CC1 ZINC000091321884 526965050 /nfs/dbraw/zinc/96/50/50/526965050.db2.gz HENLLEHKQVAFOW-UHFFFAOYSA-N 1 0 356.510 3.318 50 0 FGAARO Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000156798150 527099668 /nfs/dbraw/zinc/09/96/68/527099668.db2.gz KJBIWCKUIIHGOG-IFXJQAMLSA-N 1 0 371.529 3.147 50 0 FGAARO Cn1cc(CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079192272 527184059 /nfs/dbraw/zinc/18/40/59/527184059.db2.gz SLGYWBMHTLWHCW-FXAWDEMLSA-N 1 0 353.510 3.492 50 0 FGAARO CC(C)=CC[NH+]1CCC2(CC[C@H](CNC(=O)/C=C/c3ccncc3)O2)CC1 ZINC000299788439 527430515 /nfs/dbraw/zinc/43/05/15/527430515.db2.gz SDBPSEHBKCNDST-WUUFJKRQSA-N 1 0 369.509 3.191 50 0 FGAARO Cc1nccn1Cc1nnc(C2CC[NH+](Cc3ccccc3C)CC2)n1C ZINC000091536480 527450449 /nfs/dbraw/zinc/45/04/49/527450449.db2.gz ZXWSSJFQKOOSAY-UHFFFAOYSA-N 1 0 364.497 3.056 50 0 FGAARO CCCCn1nccc1NC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000299768938 527716240 /nfs/dbraw/zinc/71/62/40/527716240.db2.gz NQXHQLOUSULHPB-UHFFFAOYSA-N 1 0 361.515 3.485 50 0 FGAARO CC(C)Cn1cncc1CNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299803095 528742630 /nfs/dbraw/zinc/74/26/30/528742630.db2.gz WKFBVUZRZCTJRG-HBMCJLEFSA-N 1 0 366.509 3.381 50 0 FGAARO CCCn1ccnc1CNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299767401 528867902 /nfs/dbraw/zinc/86/79/02/528867902.db2.gz KOSXEJUJQZRSMY-OTWHNJEPSA-N 1 0 352.482 3.135 50 0 FGAARO CCC/C=C\CC[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000221992059 535225266 /nfs/dbraw/zinc/22/52/66/535225266.db2.gz KVTDQKLLCQFBFC-PLNGDYQASA-N 1 0 355.526 3.330 50 0 FGAARO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COCc2ccccc2F)C1(CC)CC ZINC000221892906 568471562 /nfs/dbraw/zinc/47/15/62/568471562.db2.gz RPJDGFRTLMCGAZ-BHIYHBOVSA-N 1 0 353.478 3.277 50 0 FGAARO CN(Cc1cnccn1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426436842 570605830 /nfs/dbraw/zinc/60/58/30/570605830.db2.gz YUNNFCRJRWKQSV-HXUWFJFHSA-N 1 0 367.497 3.235 50 0 FGAARO CC[C@H](NC(=O)N(C)CCC[NH+]1CCCC1)c1nc2cc(C)ccc2[nH]1 ZINC000426477369 570606755 /nfs/dbraw/zinc/60/67/55/570606755.db2.gz JUVTYQFLRIIGCO-INIZCTEOSA-N 1 0 357.502 3.450 50 0 FGAARO C[NH+]1CCN(c2ncccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000033317787 571147137 /nfs/dbraw/zinc/14/71/37/571147137.db2.gz ZTFABSPXOIIVTP-UHFFFAOYSA-N 1 0 355.829 3.204 50 0 FGAARO OCCn1ccc([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)n1 ZINC000426370508 571216119 /nfs/dbraw/zinc/21/61/19/571216119.db2.gz PNTAGZBIHGBRCP-QGZVFWFLSA-N 1 0 368.506 3.379 50 0 FGAARO COc1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c(OCC[NH3+])c1 ZINC000426388628 571218961 /nfs/dbraw/zinc/21/89/61/571218961.db2.gz ZJNCZMCIQUUNMN-QGZVFWFLSA-N 1 0 358.438 3.383 50 0 FGAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC2(CCOCC2)CC1 ZINC000426442036 571225511 /nfs/dbraw/zinc/22/55/11/571225511.db2.gz VCJZVOTVOUUPPC-HXUWFJFHSA-N 1 0 371.525 3.253 50 0 FGAARO CCc1cnc(C)nc1-c1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000426471334 571227041 /nfs/dbraw/zinc/22/70/41/571227041.db2.gz INKXWDYKIPPGGU-VQTJNVASSA-N 1 0 364.493 3.323 50 0 FGAARO C[N@@H+]1CC[C@](C)(CNC(=O)c2ccc(OCc3ccccc3F)cc2)C1 ZINC000670453647 571353485 /nfs/dbraw/zinc/35/34/85/571353485.db2.gz MMHSBULNXKPFFX-OAQYLSRUSA-N 1 0 356.441 3.476 50 0 FGAARO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2c([nH]c1=O)CCCC2 ZINC000670454599 571353552 /nfs/dbraw/zinc/35/35/52/571353552.db2.gz AMINVMMUAWYHDE-OAHLLOKOSA-N 1 0 371.506 3.122 50 0 FGAARO Cc1c(C(=O)N(C)CC(C)C)sc2ncnc(NCCC[NH+](C)C)c12 ZINC000012041125 695604286 /nfs/dbraw/zinc/60/42/86/695604286.db2.gz PRKNUSWDHMREQT-UHFFFAOYSA-N 1 0 363.531 3.091 50 0 FGAARO CCCn1cc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(C)n1 ZINC000015067066 695616130 /nfs/dbraw/zinc/61/61/30/695616130.db2.gz IAIHSNCOQKNPDI-QGZVFWFLSA-N 1 0 360.889 3.146 50 0 FGAARO CC(C)[NH+]1CCC(NC(=O)NC[C@H](O)c2cc3ccccc3s2)CC1 ZINC000119083504 700619979 /nfs/dbraw/zinc/61/99/79/700619979.db2.gz QWEYIRXFDWWXBV-INIZCTEOSA-N 1 0 361.511 3.107 50 0 FGAARO CC(C)(C)c1nc2ccc(NC(=O)c3n[nH]c4c3C[NH2+]CC4)cc2s1 ZINC000188520721 712771366 /nfs/dbraw/zinc/77/13/66/712771366.db2.gz HZHFDZDFHOTJGK-UHFFFAOYSA-N 1 0 355.467 3.215 50 0 FGAARO Cc1cccc2c1[nH]c(C)c(CC[C@@H](C)[NH2+]Cc1csc(N)n1)c2=O ZINC000952966104 762536989 /nfs/dbraw/zinc/53/69/89/762536989.db2.gz CAGBORSPWLKVBN-GFCCVEGCSA-N 1 0 356.495 3.295 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)CCC(=O)Nc1cccc(F)c1)c1cccs1 ZINC000952969985 762538064 /nfs/dbraw/zinc/53/80/64/762538064.db2.gz QVYNWKICWFKBFM-HNNXBMFYSA-N 1 0 363.458 3.025 50 0 FGAARO CN1CC2(C(=O)c3ccccc3)C[NH+](C)CC(C(=O)c3ccccc3)(C1)C2 ZINC000002097557 219426518 /nfs/dbraw/zinc/42/65/18/219426518.db2.gz XLTCWWYMHRPXER-UHFFFAOYSA-N 1 0 362.473 3.006 50 0 FGAARO O=C(CC[NH+]1CCCCCCC1)NCCOc1cccc2cccnc21 ZINC000244787778 222935902 /nfs/dbraw/zinc/93/59/02/222935902.db2.gz QDOPGQGEAYVFDI-UHFFFAOYSA-N 1 0 355.482 3.386 50 0 FGAARO O=C(Nc1ccc2scnc2c1)N1CCC([NH+]2CCSCC2)CC1 ZINC000299755769 223081929 /nfs/dbraw/zinc/08/19/29/223081929.db2.gz CSPAWJUWMXVASG-UHFFFAOYSA-N 1 0 362.524 3.341 50 0 FGAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000299766274 223085860 /nfs/dbraw/zinc/08/58/60/223085860.db2.gz MTYJKIHXKGTDSQ-CYBMUJFWSA-N 1 0 374.876 3.011 50 0 FGAARO O=C(CSCC[NH+]1CCCC1)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000299776079 223091761 /nfs/dbraw/zinc/09/17/61/223091761.db2.gz NIDQDAQCAKDQNR-FQEVSTJZSA-N 1 0 373.497 3.255 50 0 FGAARO Cc1cc(=O)cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)n1C ZINC000299780823 223093152 /nfs/dbraw/zinc/09/31/52/223093152.db2.gz CUKDSLCFTUDOOL-OAQYLSRUSA-N 1 0 367.493 3.041 50 0 FGAARO CCc1noc(CN(CC)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299782817 223094524 /nfs/dbraw/zinc/09/45/24/223094524.db2.gz WFORBONNEBBQLX-KSZLIROESA-N 1 0 368.481 3.206 50 0 FGAARO O=C(C[C@@H]1CCCOC1)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000299784299 223095041 /nfs/dbraw/zinc/09/50/41/223095041.db2.gz HBZJLCILDGXRKH-HNNXBMFYSA-N 1 0 350.890 3.237 50 0 FGAARO COc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc12 ZINC000299782024 223095112 /nfs/dbraw/zinc/09/51/12/223095112.db2.gz IQBVNGMVEOJIOT-KRWDZBQOSA-N 1 0 368.477 3.222 50 0 FGAARO O=C(CC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@]2(CCOC2)C1 ZINC000299785023 223096799 /nfs/dbraw/zinc/09/67/99/223096799.db2.gz RCMUMTFCGPGHID-QFIPXVFZSA-N 1 0 356.510 3.318 50 0 FGAARO O=C(c1cccc(-c2ccccc2Cl)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000299798341 223103657 /nfs/dbraw/zinc/10/36/57/223103657.db2.gz QZUVRBHMWPGLLP-GOSISDBHSA-N 1 0 369.896 3.127 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000012525201 220003213 /nfs/dbraw/zinc/00/32/13/220003213.db2.gz URNAOSUGKFDDMZ-GOSISDBHSA-N 1 0 352.413 3.249 50 0 FGAARO Cc1c(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cnn1C ZINC000012581509 220009326 /nfs/dbraw/zinc/00/93/26/220009326.db2.gz LROYGVXLTUCVDZ-SFHVURJKSA-N 1 0 358.505 3.254 50 0 FGAARO CCOC(=O)N1CCC([NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)CC1 ZINC000012595739 220011525 /nfs/dbraw/zinc/01/15/25/220011525.db2.gz MBTPVZRYWIZJHU-OAHLLOKOSA-N 1 0 356.470 3.452 50 0 FGAARO Cc1c(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CCCCC2)C3=O)cnn1C ZINC000012764421 220026660 /nfs/dbraw/zinc/02/66/60/220026660.db2.gz YXCPQWARIMYKMM-NRFANRHFSA-N 1 0 358.530 3.123 50 0 FGAARO CCc1ccc([C@H](CNC(=O)c2cccc(OC)c2OC)[NH+](C)C)cc1 ZINC000012788591 220030188 /nfs/dbraw/zinc/03/01/88/220030188.db2.gz HFEWJCLKJJIEBC-SFHVURJKSA-N 1 0 356.466 3.299 50 0 FGAARO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Cl ZINC000013002893 220052196 /nfs/dbraw/zinc/05/21/96/220052196.db2.gz XALAEZBZHPWWET-UHFFFAOYSA-N 1 0 364.898 3.414 50 0 FGAARO COC(=O)c1sc2nc(C)nc(NC3CC[NH+](C(C)C)CC3)c2c1C ZINC000014093856 220104848 /nfs/dbraw/zinc/10/48/48/220104848.db2.gz SUFQMGANABBEKG-UHFFFAOYSA-N 1 0 362.499 3.379 50 0 FGAARO CCc1ccc([C@H](CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)[NH+](C)C)cc1 ZINC000014197131 220115586 /nfs/dbraw/zinc/11/55/86/220115586.db2.gz IVPSBUFPKMOYRM-SFHVURJKSA-N 1 0 355.482 3.429 50 0 FGAARO CC(C)CN1C(=O)N(C)C2(CC[NH+](Cc3c[nH]c4ccccc34)CC2)C1=O ZINC000014754838 220131863 /nfs/dbraw/zinc/13/18/63/220131863.db2.gz XZTFEJSNTBPVMG-UHFFFAOYSA-N 1 0 368.481 3.053 50 0 FGAARO C[C@@H](CC[NH+]1CCC(n2cc(C(=O)NC3CC3)nn2)CC1)c1ccccc1 ZINC000014961105 220137784 /nfs/dbraw/zinc/13/77/84/220137784.db2.gz RBCFNXYRDCYQKN-INIZCTEOSA-N 1 0 367.497 3.001 50 0 FGAARO Cc1cccc(C(=O)N2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000015075199 220146007 /nfs/dbraw/zinc/14/60/07/220146007.db2.gz MMXZIUSRSCNHCD-FQEVSTJZSA-N 1 0 364.493 3.159 50 0 FGAARO O=C1C[C@H]([NH2+]C2CCSCC2)CN1Cc1ccccc1C(F)(F)F ZINC000015068045 220144439 /nfs/dbraw/zinc/14/44/39/220144439.db2.gz GIMDVBFXYWGSEI-AWEZNQCLSA-N 1 0 358.429 3.292 50 0 FGAARO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000015184149 220149863 /nfs/dbraw/zinc/14/98/63/220149863.db2.gz AIQDWZNZKMPZSH-UHFFFAOYSA-N 1 0 370.280 3.338 50 0 FGAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)nc1n2CCCCC1 ZINC000015786976 220164896 /nfs/dbraw/zinc/16/48/96/220164896.db2.gz WTPSVFJOHHKIDK-UHFFFAOYSA-N 1 0 354.498 3.369 50 0 FGAARO CCN(C(=O)CCc1nc(C2=CC[N@H+](C)CC2)no1)c1cccc(Cl)c1 ZINC000015821304 220166408 /nfs/dbraw/zinc/16/64/08/220166408.db2.gz IQAGCVLSELYSDC-UHFFFAOYSA-N 1 0 374.872 3.428 50 0 FGAARO COc1ccc(CN2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c(OC)c1OC ZINC000019496156 220260491 /nfs/dbraw/zinc/26/04/91/220260491.db2.gz MQQNSGUELLSMFA-FUHWJXTLSA-N 1 0 362.514 3.409 50 0 FGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccccc2OCCO)C1 ZINC000019740313 220292552 /nfs/dbraw/zinc/29/25/52/220292552.db2.gz YFSGOIUUQMMHEW-NRFANRHFSA-N 1 0 354.494 3.154 50 0 FGAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000019740655 220292620 /nfs/dbraw/zinc/29/26/20/220292620.db2.gz OAWWQAHEBMNYGE-GOSISDBHSA-N 1 0 357.498 3.359 50 0 FGAARO COc1ccc(CN2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c(OC)c1OC ZINC000019831875 220300703 /nfs/dbraw/zinc/30/07/03/220300703.db2.gz MAZIYKRIDNCDSX-WMZOPIPTSA-N 1 0 362.514 3.409 50 0 FGAARO CCOC(=O)c1[nH]c(C)c(C[NH2+]CCc2ccc(OC)c(OC)c2)c1C ZINC000019857087 220302085 /nfs/dbraw/zinc/30/20/85/220302085.db2.gz JHOCAJYAJJRJST-UHFFFAOYSA-N 1 0 360.454 3.158 50 0 FGAARO O[C@H]1[C@H](n2ccnc2)c2ccccc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000020117959 220314024 /nfs/dbraw/zinc/31/40/24/220314024.db2.gz AQHPREWWRDSCSJ-UXHICEINSA-N 1 0 365.502 3.442 50 0 FGAARO OCC[C@@H]1CN(Cc2cc(F)cc(F)c2)CC[N@@H+]1CC1CCCCC1 ZINC000020600542 220335472 /nfs/dbraw/zinc/33/54/72/220335472.db2.gz VXWPLWPIOCEOGE-HXUWFJFHSA-N 1 0 352.469 3.414 50 0 FGAARO CN1CCN(CN2C(=O)/C(=C\c3ccco3)c3ccc(Cl)cc32)CC1 ZINC000020648015 220338142 /nfs/dbraw/zinc/33/81/42/220338142.db2.gz PIDRFNTXNDFRRX-ATVHPVEESA-N 1 0 357.841 3.025 50 0 FGAARO CC(C)(C)C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020906502 220344645 /nfs/dbraw/zinc/34/46/45/220344645.db2.gz KESKYWZFDJKPME-LJQANCHMSA-N 1 0 373.541 3.043 50 0 FGAARO COc1c(Br)cc(C[NH2+]C(C)(C)CO)cc1Br ZINC000020927131 220346182 /nfs/dbraw/zinc/34/61/82/220346182.db2.gz DHFHQEQINVNVAP-UHFFFAOYSA-N 1 0 367.081 3.081 50 0 FGAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccc(Br)c3)C2=O)cc1 ZINC000020985292 220346244 /nfs/dbraw/zinc/34/62/44/220346244.db2.gz BGRKWGITTHSZCA-INIZCTEOSA-N 1 0 373.250 3.179 50 0 FGAARO Cc1nc2ccccc2nc1CN1CC[N@@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000020996633 220348256 /nfs/dbraw/zinc/34/82/56/220348256.db2.gz WDJMGCKOUSNBQX-IBGZPJMESA-N 1 0 368.525 3.140 50 0 FGAARO CCc1cccc(C)c1NC(=O)C1=C(C)C(=O)OC12CC[NH+](CC)CC2 ZINC000021868589 220369139 /nfs/dbraw/zinc/36/91/39/220369139.db2.gz ZPRZVCRMTNWECK-UHFFFAOYSA-N 1 0 356.466 3.224 50 0 FGAARO Cc1cccc(NC(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)c1 ZINC000022461770 220387557 /nfs/dbraw/zinc/38/75/57/220387557.db2.gz NKCNSMOPFVGPIA-GOSISDBHSA-N 1 0 358.511 3.167 50 0 FGAARO O=C(c1c[nH]nc1-c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022611196 220391262 /nfs/dbraw/zinc/39/12/62/220391262.db2.gz KFDMCDCLEBJHBT-UHFFFAOYSA-N 1 0 360.461 3.425 50 0 FGAARO Cc1cccc(NC(=O)CN2CC[NH+](CCc3ccccc3)CC2)c1C ZINC000022780865 220398952 /nfs/dbraw/zinc/39/89/52/220398952.db2.gz BODNUYOMYPHQNU-UHFFFAOYSA-N 1 0 351.494 3.102 50 0 FGAARO CCc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023127631 220413516 /nfs/dbraw/zinc/41/35/16/220413516.db2.gz VAMQCAJDXSXJLZ-UHFFFAOYSA-N 1 0 372.534 3.440 50 0 FGAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+](CC(C)C)CC(C)C ZINC000032682341 220669790 /nfs/dbraw/zinc/66/97/90/220669790.db2.gz IPCJDRBVYOJZNB-GOSISDBHSA-N 1 0 351.487 3.252 50 0 FGAARO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000048290554 221005409 /nfs/dbraw/zinc/00/54/09/221005409.db2.gz FMBZVBOBADALHM-NSHDSACASA-N 1 0 351.299 3.004 50 0 FGAARO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744725 221014385 /nfs/dbraw/zinc/01/43/85/221014385.db2.gz STKMCOOPYUTZPD-ZDUSSCGKSA-N 1 0 360.404 3.473 50 0 FGAARO O=C(CCc1c(F)cccc1F)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000048156659 221000218 /nfs/dbraw/zinc/00/02/18/221000218.db2.gz FLVFOVCZSWMIAS-UHFFFAOYSA-N 1 0 358.432 3.462 50 0 FGAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ccccn3)C2)cc1 ZINC000055100373 221058317 /nfs/dbraw/zinc/05/83/17/221058317.db2.gz XXQXOAJGWAFVJL-HXUWFJFHSA-N 1 0 353.510 3.477 50 0 FGAARO COc1ccc(OC)c(CN(C(=O)C2CC[NH+](C)CC2)C2CCCC2)c1 ZINC000055074094 221059220 /nfs/dbraw/zinc/05/92/20/221059220.db2.gz URRFVLOWMKTCTH-UHFFFAOYSA-N 1 0 360.498 3.317 50 0 FGAARO CCOC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CCC2 ZINC000055212199 221062134 /nfs/dbraw/zinc/06/21/34/221062134.db2.gz VEGJOUJGECPONL-UHFFFAOYSA-N 1 0 358.463 3.142 50 0 FGAARO Cc1c(C[NH2+][C@H](C)c2cnc(N3CCCCCCC3)nc2C)cnn1C ZINC000055243179 221063191 /nfs/dbraw/zinc/06/31/91/221063191.db2.gz LNDGPKZIAHJFEJ-OAHLLOKOSA-N 1 0 356.518 3.448 50 0 FGAARO Cc1ccc(CN(CC[NH+](C)C)Cc2cccn2-c2ncccn2)s1 ZINC000055228612 221063397 /nfs/dbraw/zinc/06/33/97/221063397.db2.gz LBLDHHBYIVXQPF-UHFFFAOYSA-N 1 0 355.511 3.201 50 0 FGAARO CCn1cc(NC(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000056500310 221080773 /nfs/dbraw/zinc/08/07/73/221080773.db2.gz QGAFWLOMHGOOPW-LJQANCHMSA-N 1 0 369.513 3.498 50 0 FGAARO CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH2+]Cc1ccccc1 ZINC000057049724 221083008 /nfs/dbraw/zinc/08/30/08/221083008.db2.gz GEQPHQNXJNULMR-UHFFFAOYSA-N 1 0 365.433 3.381 50 0 FGAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2ccc(Sc3nncn3C)o2)c1 ZINC000055341785 221067199 /nfs/dbraw/zinc/06/71/99/221067199.db2.gz WOVMTYPRPUAWCV-CQSZACIVSA-N 1 0 357.483 3.326 50 0 FGAARO Cc1nn2c(nc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3Cl)cc2=O)s1 ZINC000058185036 221104423 /nfs/dbraw/zinc/10/44/23/221104423.db2.gz BZIXEZKSRAKXDE-OAHLLOKOSA-N 1 0 374.897 3.320 50 0 FGAARO CC(C)(C)n1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000058225420 221109189 /nfs/dbraw/zinc/10/91/89/221109189.db2.gz LUBHWBXGOGYLOY-HNNXBMFYSA-N 1 0 360.527 3.342 50 0 FGAARO CCN(C(=O)Cc1c(C)nn(C)c1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000058332395 221115120 /nfs/dbraw/zinc/11/51/20/221115120.db2.gz YKHVQKWUTLBUFR-FXAWDEMLSA-N 1 0 368.525 3.263 50 0 FGAARO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2)c1ccccc1 ZINC000058445807 221121063 /nfs/dbraw/zinc/12/10/63/221121063.db2.gz KMUWUXAWBXXCDY-OLZOCXBDSA-N 1 0 371.506 3.261 50 0 FGAARO Cc1ccc2[nH]c(=O)c(CCC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000065245490 221185770 /nfs/dbraw/zinc/18/57/70/221185770.db2.gz VLTMRJUOKJLEQP-QGZVFWFLSA-N 1 0 369.509 3.420 50 0 FGAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)Nc2ccccc2Cl)[nH+]1 ZINC000065365937 221203635 /nfs/dbraw/zinc/20/36/35/221203635.db2.gz UYOZFSLXMZVBNV-UHFFFAOYSA-N 1 0 374.876 3.272 50 0 FGAARO O=C(c1ccccc1)N1CCC([NH2+]Cc2cccc(-n3cccn3)c2)CC1 ZINC000065372644 221205602 /nfs/dbraw/zinc/20/56/02/221205602.db2.gz HRWNVFXBWOUOLX-UHFFFAOYSA-N 1 0 360.461 3.267 50 0 FGAARO Cc1sc2nc(CC[NH3+])nc(NCc3noc(-c4ccco4)n3)c2c1C ZINC000065382366 221207830 /nfs/dbraw/zinc/20/78/30/221207830.db2.gz CWZCUWIVVJNPMR-UHFFFAOYSA-N 1 0 370.438 3.064 50 0 FGAARO CCc1nccn1C[C@H](C)[NH2+]C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000065407670 221214973 /nfs/dbraw/zinc/21/49/73/221214973.db2.gz ZAXXEHXSCMZAMP-INIZCTEOSA-N 1 0 355.486 3.120 50 0 FGAARO COCC[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000065474656 221223770 /nfs/dbraw/zinc/22/37/70/221223770.db2.gz XMMYDSRTHPXBSW-INIZCTEOSA-N 1 0 364.917 3.236 50 0 FGAARO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000065511817 221228322 /nfs/dbraw/zinc/22/83/22/221228322.db2.gz PLEQLUWSSWFVCB-IUODEOHRSA-N 1 0 353.919 3.112 50 0 FGAARO Cc1ccccc1C[N@H+]1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 ZINC000067649703 221265015 /nfs/dbraw/zinc/26/50/15/221265015.db2.gz ZRZMLZXPNIQKLY-LJQANCHMSA-N 1 0 362.477 3.259 50 0 FGAARO Cc1ccsc1CC[NH2+]C[C@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000067654974 221266803 /nfs/dbraw/zinc/26/68/03/221266803.db2.gz ISLZRCRRYMAJRZ-HXUWFJFHSA-N 1 0 364.555 3.122 50 0 FGAARO COc1ccccc1/C=C/CN1CC[N@H+](Cc2ccccc2)[C@H](CCO)C1 ZINC000067727217 221277949 /nfs/dbraw/zinc/27/79/49/221277949.db2.gz RLPYHNXROCKGSY-ICKBMGCOSA-N 1 0 366.505 3.277 50 0 FGAARO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)C1 ZINC000067741155 221279379 /nfs/dbraw/zinc/27/93/79/221279379.db2.gz BZMPAGTXMAMCFG-HNNXBMFYSA-N 1 0 357.429 3.096 50 0 FGAARO CC(C)[C@@H]1C=CCN1C(=O)c1cc(C[N@H+](C)CCc2ccccc2)on1 ZINC000067755450 221280139 /nfs/dbraw/zinc/28/01/39/221280139.db2.gz DRAHQPQLXHFHAM-FQEVSTJZSA-N 1 0 353.466 3.386 50 0 FGAARO c1coc(-c2nc(CNc3nc(-c4ccccc4)nc4c3CC[NH2+]C4)no2)c1 ZINC000067771253 221282980 /nfs/dbraw/zinc/28/29/80/221282980.db2.gz OVIPFSLNFUSHIM-UHFFFAOYSA-N 1 0 374.404 3.044 50 0 FGAARO Cc1ccccc1OC1CCN(c2cc([C@@H]3CCC[NH2+]C3)ncn2)CC1 ZINC000067886087 221301400 /nfs/dbraw/zinc/30/14/00/221301400.db2.gz NPKZNLCHBPEYBG-QGZVFWFLSA-N 1 0 352.482 3.300 50 0 FGAARO CC[N@H+](Cc1ccncc1)Cc1cccc(C(=O)Nc2ccc(C)nn2)c1 ZINC000067909834 221304427 /nfs/dbraw/zinc/30/44/27/221304427.db2.gz SRITZOLDTZNDRH-UHFFFAOYSA-N 1 0 361.449 3.454 50 0 FGAARO CC(C)c1noc([C@H]2CCC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)n1 ZINC000067934372 221306968 /nfs/dbraw/zinc/30/69/68/221306968.db2.gz CYCZSHZNLSEPBN-HNNXBMFYSA-N 1 0 352.438 3.414 50 0 FGAARO C[N@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)C1Cc2ccccc2C1 ZINC000069418468 221325361 /nfs/dbraw/zinc/32/53/61/221325361.db2.gz NLRZEDQBEGJGBS-UHFFFAOYSA-N 1 0 360.360 3.046 50 0 FGAARO CCCN(CC)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071747729 221359367 /nfs/dbraw/zinc/35/93/67/221359367.db2.gz GKZHBYURIJEJOT-FQEVSTJZSA-N 1 0 372.557 3.017 50 0 FGAARO CCc1oc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1C[NH+](CC)CC ZINC000071721599 221356404 /nfs/dbraw/zinc/35/64/04/221356404.db2.gz PVMMEXNUKMKMGM-OAHLLOKOSA-N 1 0 362.392 3.087 50 0 FGAARO CC(C)[C@H]1C[N@H+](Cc2ccncc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071764976 221371032 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FGAARO C[C@@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)CC[C@@]1(O)C1CCOCC1 ZINC000092098157 132206036 /nfs/dbraw/zinc/20/60/36/132206036.db2.gz AIUKRKOERNWTDR-GCJKJVERSA-N 1 0 358.526 3.155 50 0 FGAARO COc1ccnc(C[NH2+]C2CCN(c3nc(C)nc4sccc43)CC2)c1 ZINC000096152110 132220863 /nfs/dbraw/zinc/22/08/63/132220863.db2.gz QHUYDIFWTZMYPN-UHFFFAOYSA-N 1 0 369.494 3.162 50 0 FGAARO Cc1cc(N2CCN(C(=O)[C@H](C)Oc3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000223668108 132279566 /nfs/dbraw/zinc/27/95/66/132279566.db2.gz HXINXARDSFWHIS-HNNXBMFYSA-N 1 0 359.857 3.160 50 0 FGAARO CCCCOC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023118562 132373914 /nfs/dbraw/zinc/37/39/14/132373914.db2.gz SDBWSVWKVARSJW-QGZVFWFLSA-N 1 0 360.420 3.005 50 0 FGAARO COc1ccccc1N1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000001178275 132380661 /nfs/dbraw/zinc/38/06/61/132380661.db2.gz WDHBIVXNUTVALS-UHFFFAOYSA-N 1 0 373.884 3.499 50 0 FGAARO COc1ccccc1N1CC[NH+](C2CCN(Cc3ccco3)CC2)CC1 ZINC000004109091 132386433 /nfs/dbraw/zinc/38/64/33/132386433.db2.gz 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3.372 50 0 FGAARO CC[NH+]1CCC(NCc2cc(OC)c(OC)cc2Br)CC1 ZINC000037976762 494110787 /nfs/dbraw/zinc/11/07/87/494110787.db2.gz DNCWVGHGQAMRJF-UHFFFAOYSA-N 1 0 357.292 3.040 50 0 FGAARO OCC[NH2+]C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000002327780 493806034 /nfs/dbraw/zinc/80/60/34/493806034.db2.gz ANSLPLAEJSXSFQ-ZDUSSCGKSA-N 1 0 353.249 3.044 50 0 FGAARO O=c1cc(-c2cccnc2)nc(-c2ccc(C[NH+]3CCC(F)CC3)cc2)[nH]1 ZINC000048441263 493829150 /nfs/dbraw/zinc/82/91/50/493829150.db2.gz VTQFYRLOWXKKRV-UHFFFAOYSA-N 1 0 364.424 3.433 50 0 FGAARO COc1ccccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccccn1 ZINC000003025920 493829495 /nfs/dbraw/zinc/82/94/95/493829495.db2.gz TVKNVBDALRMLMI-HNNXBMFYSA-N 1 0 358.511 3.412 50 0 FGAARO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC(F)F ZINC000058174426 493830578 /nfs/dbraw/zinc/83/05/78/493830578.db2.gz AMHPPYSNQOROEV-CYBMUJFWSA-N 1 0 356.413 3.147 50 0 FGAARO COc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)ccc1OC(F)F ZINC000003457713 493846344 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Cc1cccn2cc(C[N@@H+]3CCC[C@]4(CCC(=O)N(CC5CC5)C4)C3)nc12 ZINC000077378736 494070817 /nfs/dbraw/zinc/07/08/17/494070817.db2.gz FBBUUULCLCBCLF-QFIPXVFZSA-N 1 0 366.509 3.257 50 0 FGAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)CCC(=O)c2ccccc2)CC1 ZINC000077390942 494074524 /nfs/dbraw/zinc/07/45/24/494074524.db2.gz KWGVXLKEOTVWLR-UHFFFAOYSA-N 1 0 365.477 3.168 50 0 FGAARO CCOc1c(Br)cc(Br)cc1C[NH2+]CCOC ZINC000008253315 494079353 /nfs/dbraw/zinc/07/93/53/494079353.db2.gz WWLDSFBZQKYJSM-UHFFFAOYSA-N 1 0 367.081 3.346 50 0 FGAARO Cc1noc2ncnc(N(C)CC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000077440748 494083886 /nfs/dbraw/zinc/08/38/86/494083886.db2.gz PYUZBTNMPOIKLC-UHFFFAOYSA-N 1 0 351.454 3.275 50 0 FGAARO CC(=O)c1c(C)nn([C@@H](C)CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1C ZINC000077453532 494086013 /nfs/dbraw/zinc/08/60/13/494086013.db2.gz SKQBVDRQYDDKCK-HNNXBMFYSA-N 1 0 374.529 3.131 50 0 FGAARO COc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)c1 ZINC000036098201 494086032 /nfs/dbraw/zinc/08/60/32/494086032.db2.gz LWWQBTGPPVDEEY-SFHVURJKSA-N 1 0 371.433 3.461 50 0 FGAARO COc1cccc(C[N@H+](C[C@H](O)COCc2ccco2)C(C)C)c1OC ZINC000036103679 494086485 /nfs/dbraw/zinc/08/64/85/494086485.db2.gz AECHBMHSVPDKAY-KRWDZBQOSA-N 1 0 363.454 3.085 50 0 FGAARO CCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COCc1ccco1 ZINC000036097223 494086607 /nfs/dbraw/zinc/08/66/07/494086607.db2.gz XQFGTAVLSZMIRR-KRWDZBQOSA-N 1 0 363.454 3.087 50 0 FGAARO COCCC[N@@H+](Cc1ccccc1C)C[C@H](O)COc1ccc(OC)cc1 ZINC000036099922 494087008 /nfs/dbraw/zinc/08/70/08/494087008.db2.gz SHVDNOINKRIVSA-FQEVSTJZSA-N 1 0 373.493 3.282 50 0 FGAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000036102188 494087031 /nfs/dbraw/zinc/08/70/31/494087031.db2.gz RYPYNDKLCFPXKY-FQEVSTJZSA-N 1 0 371.477 3.402 50 0 FGAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)CCCn2cccn2)cc1 ZINC000077460082 494088194 /nfs/dbraw/zinc/08/81/94/494088194.db2.gz UAJCXNZSJXOCPY-FQEVSTJZSA-N 1 0 354.498 3.479 50 0 FGAARO COc1ccc(OC)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000008430342 494090832 /nfs/dbraw/zinc/09/08/32/494090832.db2.gz CVRDPULKXKVCBS-UHFFFAOYSA-N 1 0 354.450 3.230 50 0 FGAARO COc1ccc(C[NH2+]CCCn2cnc3ccccc32)c(OC)c1OC ZINC000008710730 494100354 /nfs/dbraw/zinc/10/03/54/494100354.db2.gz DTAAZTFTOPHJFE-UHFFFAOYSA-N 1 0 355.438 3.242 50 0 FGAARO O=C(Cc1ccc(Br)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036875408 494100499 /nfs/dbraw/zinc/10/04/99/494100499.db2.gz CLQZVPGQTOBFNI-SFHVURJKSA-N 1 0 373.294 3.382 50 0 FGAARO COCC[NH+]1CCC(CNC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000038489564 494113727 /nfs/dbraw/zinc/11/37/27/494113727.db2.gz CVKXHYXCVWPMJZ-UHFFFAOYSA-N 1 0 359.392 3.185 50 0 FGAARO CC(C)=CCN1CC[N@H+](Cc2ccc(-n3cccn3)cc2C)C[C@H]1CCO ZINC000039533140 494121785 /nfs/dbraw/zinc/12/17/85/494121785.db2.gz YEGJAFLGHWRMGH-JOCHJYFZSA-N 1 0 368.525 3.016 50 0 FGAARO O[C@H](C[NH2+]CC1(N2CCCCC2)CCCCC1)COCc1cccs1 ZINC000039943398 494124187 /nfs/dbraw/zinc/12/41/87/494124187.db2.gz JEPRVKJEFYPKNL-GOSISDBHSA-N 1 0 366.571 3.404 50 0 FGAARO CSc1ccccc1NC(=O)[C@H](C)SC1=NN/C(=C2\C=CC=[NH+]2)O1 ZINC000009460010 494125326 /nfs/dbraw/zinc/12/53/26/494125326.db2.gz SLLXBRXSMOOURN-RYPPMWICSA-N 1 0 360.464 3.169 50 0 FGAARO CC(C)(C)OC(=O)N1CCC(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000040012851 494125980 /nfs/dbraw/zinc/12/59/80/494125980.db2.gz UQNNANXMSMPLQJ-UHFFFAOYSA-N 1 0 367.534 3.059 50 0 FGAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cn4ccc(C)cc4n3)CC2)cc1 ZINC000040039599 494126961 /nfs/dbraw/zinc/12/69/61/494126961.db2.gz HAMKVUDNUHAMTK-UHFFFAOYSA-N 1 0 362.477 3.299 50 0 FGAARO c1coc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072122323 494127958 /nfs/dbraw/zinc/12/79/58/494127958.db2.gz MXGXYPCZZPSEIV-IOMROCGXSA-N 1 0 352.434 3.071 50 0 FGAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)Nc3cc(C)ccc3C)CC2)n1 ZINC000009620793 494128798 /nfs/dbraw/zinc/12/87/98/494128798.db2.gz JSCVZIPURSVIAS-UHFFFAOYSA-N 1 0 368.485 3.188 50 0 FGAARO Cc1ncnc(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1C ZINC000072133546 494130452 /nfs/dbraw/zinc/13/04/52/494130452.db2.gz KVQDIWWJPNARPE-VAMGGRTRSA-N 1 0 370.447 3.438 50 0 FGAARO CC(C)Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)cc1 ZINC000072129560 494130711 /nfs/dbraw/zinc/13/07/11/494130711.db2.gz IFPDCVYDDPXLSN-OAQYLSRUSA-N 1 0 358.526 3.194 50 0 FGAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)CC1 ZINC000040089810 494131072 /nfs/dbraw/zinc/13/10/72/494131072.db2.gz INLFQMMOXPPISR-UHFFFAOYSA-N 1 0 359.420 3.355 50 0 FGAARO CC(C)n1ncc2cc(C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)cnc21 ZINC000040108166 494132908 /nfs/dbraw/zinc/13/29/08/494132908.db2.gz DTCRTEJFKPZHSV-MRXNPFEDSA-N 1 0 357.502 3.254 50 0 FGAARO Cc1nn(C)c(C)c1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000040107902 494133106 /nfs/dbraw/zinc/13/31/06/494133106.db2.gz CFILWHPHLNPWGX-HNNXBMFYSA-N 1 0 354.498 3.450 50 0 FGAARO Oc1cccc([C@@H]2CN(Cc3nc4ccccc4[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072156376 494136634 /nfs/dbraw/zinc/13/66/34/494136634.db2.gz MPOLEQXDGYNHEH-CDNPAEQRSA-N 1 0 374.488 3.331 50 0 FGAARO CCc1nc2c(cnn2C)c(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072156883 494137828 /nfs/dbraw/zinc/13/78/28/494137828.db2.gz BEHHQWPGUBBPQJ-INIZCTEOSA-N 1 0 350.470 3.002 50 0 FGAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc4ccccc4c3)CC2)[C@H]1O ZINC000072162417 494139372 /nfs/dbraw/zinc/13/93/72/494139372.db2.gz YOCWKMNEDPKRFM-YADHBBJMSA-N 1 0 372.468 3.388 50 0 FGAARO c1cncc(CN(Cc2noc(C3CCCC3)n2)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000072163031 494139585 /nfs/dbraw/zinc/13/95/85/494139585.db2.gz NJKRYQJPJVHYIE-IBGZPJMESA-N 1 0 367.497 3.219 50 0 FGAARO COc1ccc(CCC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000010018079 494140374 /nfs/dbraw/zinc/14/03/74/494140374.db2.gz QCVDRFFIJLRRND-HXUWFJFHSA-N 1 0 356.466 3.056 50 0 FGAARO Cc1cnc(C)c(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072166394 494140757 /nfs/dbraw/zinc/14/07/57/494140757.db2.gz XJTAFDOFHPGFEQ-NSISKUIASA-N 1 0 370.447 3.438 50 0 FGAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000010050363 494141192 /nfs/dbraw/zinc/14/11/92/494141192.db2.gz VQIQZFNAIFRXIC-FQEVSTJZSA-N 1 0 353.466 3.458 50 0 FGAARO OCCOCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl ZINC000040732080 494145816 /nfs/dbraw/zinc/14/58/16/494145816.db2.gz POMLLZDXGGKLFU-UHFFFAOYSA-N 1 0 353.821 3.157 50 0 FGAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000010340726 494151315 /nfs/dbraw/zinc/15/13/15/494151315.db2.gz WTLSMSAUFXHVDQ-LJQANCHMSA-N 1 0 351.450 3.271 50 0 FGAARO Cc1ncc(C(=O)N2CCCC[C@@H]2CC[NH+](C)C)c(-c2ccccc2)n1 ZINC000072408529 494165941 /nfs/dbraw/zinc/16/59/41/494165941.db2.gz AWQVIFVRXOHWJO-GOSISDBHSA-N 1 0 352.482 3.398 50 0 FGAARO OC1(c2cccnc2)CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2F)CC1 ZINC000072423340 494170087 /nfs/dbraw/zinc/17/00/87/494170087.db2.gz HKLPOHFOTRXPIS-UHFFFAOYSA-N 1 0 370.403 3.234 50 0 FGAARO O=C(c1ccc(Cl)cn1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072429206 494172493 /nfs/dbraw/zinc/17/24/93/494172493.db2.gz UJKYDERGDCPVAB-UHFFFAOYSA-N 1 0 355.869 3.398 50 0 FGAARO CCc1[nH]nc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1C ZINC000072433198 494173406 /nfs/dbraw/zinc/17/34/06/494173406.db2.gz YWWJGUBLMHIRQB-UHFFFAOYSA-N 1 0 356.514 3.007 50 0 FGAARO COc1cccc(F)c1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072472866 494178625 /nfs/dbraw/zinc/17/86/25/494178625.db2.gz FWAKJRNFDFGNSR-UHFFFAOYSA-N 1 0 368.452 3.497 50 0 FGAARO CCOCc1cc(C[NH+]2CCC3(CN(CC)C(=O)O3)CC2)ccc1OC ZINC000072470688 494178647 /nfs/dbraw/zinc/17/86/47/494178647.db2.gz DISBLXFWEFNXSD-UHFFFAOYSA-N 1 0 362.470 3.038 50 0 FGAARO Cc1ccccc1C[N@H+]1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000072476999 494181202 /nfs/dbraw/zinc/18/12/02/494181202.db2.gz HKBRVAJCIDZTQU-FQEVSTJZSA-N 1 0 367.541 3.489 50 0 FGAARO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000072477316 494181552 /nfs/dbraw/zinc/18/15/52/494181552.db2.gz CCHHQVLXGJCPAD-GOSISDBHSA-N 1 0 371.504 3.320 50 0 FGAARO CCCC[NH+]1CCN(c2nnc(-c3nnc(CC)o3)c3ccccc32)CC1 ZINC000065258200 494183333 /nfs/dbraw/zinc/18/33/33/494183333.db2.gz LWPURRWUYUWQMJ-UHFFFAOYSA-N 1 0 366.469 3.164 50 0 FGAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccco1 ZINC000011614654 494183897 /nfs/dbraw/zinc/18/38/97/494183897.db2.gz AAXJKEKLUKWIDA-MRXNPFEDSA-N 1 0 372.808 3.146 50 0 FGAARO O=C(c1ccc(OC2CC[NH+](C3CCOCC3)CC2)cc1)N1CCCCC1 ZINC000011714383 494187807 /nfs/dbraw/zinc/18/78/07/494187807.db2.gz QQUHYFLOGRCOBN-UHFFFAOYSA-N 1 0 372.509 3.335 50 0 FGAARO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)nc(C)n1 ZINC000011841214 494193124 /nfs/dbraw/zinc/19/31/24/494193124.db2.gz RQWALPOUVKDSEM-HXUWFJFHSA-N 1 0 366.509 3.263 50 0 FGAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1ccncc1 ZINC000012193790 494212701 /nfs/dbraw/zinc/21/27/01/494212701.db2.gz TVNQUYXESZMPCH-UHFFFAOYSA-N 1 0 355.457 3.247 50 0 FGAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000012301045 494222270 /nfs/dbraw/zinc/22/22/70/494222270.db2.gz JWLIBLFBBKIJFT-ZDUSSCGKSA-N 1 0 363.408 3.417 50 0 FGAARO CN(C(=O)Cc1ccccn1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012319406 494222832 /nfs/dbraw/zinc/22/28/32/494222832.db2.gz DLVVDULHLHRLCC-OAQYLSRUSA-N 1 0 351.494 3.180 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1nnc(CCC2CCCCC2)o1 ZINC000012315839 494223212 /nfs/dbraw/zinc/22/32/12/494223212.db2.gz JFDUVDSNDLGKDD-KRWDZBQOSA-N 1 0 362.518 3.116 50 0 FGAARO O=C(CCC1CC[NH+](CCCc2ccccc2)CC1)NC[C@H]1CCCO1 ZINC000012387093 494229350 /nfs/dbraw/zinc/22/93/50/494229350.db2.gz KAPOTSOONKLBJT-OAQYLSRUSA-N 1 0 358.526 3.407 50 0 FGAARO CCc1nc2ccccc2n1CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000012548300 494240530 /nfs/dbraw/zinc/24/05/30/494240530.db2.gz DZKFYTXGNDSTCQ-GOSISDBHSA-N 1 0 366.465 3.145 50 0 FGAARO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000012551525 494241174 /nfs/dbraw/zinc/24/11/74/494241174.db2.gz KPWGPNSNLBJRFJ-FGTMMUONSA-N 1 0 352.478 3.390 50 0 FGAARO Cc1cc(C)c(C(N)=O)c(N2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000012974730 494272888 /nfs/dbraw/zinc/27/28/88/494272888.db2.gz GDOWDANRLRPPPR-UHFFFAOYSA-N 1 0 374.488 3.273 50 0 FGAARO COc1ccccc1NC(=O)CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055153272 494306959 /nfs/dbraw/zinc/30/69/59/494306959.db2.gz AYSRDZQTEJHDAK-UHFFFAOYSA-N 1 0 368.412 3.343 50 0 FGAARO CCOC[C@H]1CCCN(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)C1 ZINC000073026058 494308241 /nfs/dbraw/zinc/30/82/41/494308241.db2.gz BWDCMJJFGRREGX-SFHVURJKSA-N 1 0 374.529 3.109 50 0 FGAARO COc1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCCC2)cc1 ZINC000017911512 494419578 /nfs/dbraw/zinc/41/95/78/494419578.db2.gz QYRZTUUZIFTJSN-HXUWFJFHSA-N 1 0 354.450 3.027 50 0 FGAARO CCOc1ccc(CN2CC[N@H+](Cc3cccc(C)c3)C[C@@H]2CCO)cc1 ZINC000022919531 494542007 /nfs/dbraw/zinc/54/20/07/494542007.db2.gz YGRKQAMAFHVOLP-QFIPXVFZSA-N 1 0 368.521 3.463 50 0 FGAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(OC)c1OC)Cc1ccccc1 ZINC000023197189 494555710 /nfs/dbraw/zinc/55/57/10/494555710.db2.gz ISRIFTSBXQSYIO-GOSISDBHSA-N 1 0 370.493 3.387 50 0 FGAARO COc1cccc(-c2cccc(N3CCC([NH2+]Cc4nnc[nH]4)CC3)c2)c1 ZINC000023366947 494563759 /nfs/dbraw/zinc/56/37/59/494563759.db2.gz NVOXQWDTCLXTCA-UHFFFAOYSA-N 1 0 363.465 3.239 50 0 FGAARO Fc1ccc(-n2cc(CN3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)cn2)cc1 ZINC000091417048 494594479 /nfs/dbraw/zinc/59/44/79/494594479.db2.gz FNEWYQOGJWYAIL-LAUBAEHRSA-N 1 0 354.473 3.318 50 0 FGAARO Cc1nccn1CC1(C[NH2+]Cc2cc(=O)c3cccc(Cl)c3[nH]2)CC1 ZINC000091439876 494599242 /nfs/dbraw/zinc/59/92/42/494599242.db2.gz PYHDTRXXPFGDJN-UHFFFAOYSA-N 1 0 356.857 3.256 50 0 FGAARO CCc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1C ZINC000091552012 494616413 /nfs/dbraw/zinc/61/64/13/494616413.db2.gz MERDLSYQGFXTIE-FUHWJXTLSA-N 1 0 370.472 3.156 50 0 FGAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000091713960 494656943 /nfs/dbraw/zinc/65/69/43/494656943.db2.gz SWVYZCUOUKLSLW-UHFFFAOYSA-N 1 0 370.526 3.292 50 0 FGAARO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000075105004 494689135 /nfs/dbraw/zinc/68/91/35/494689135.db2.gz AQYQZHBLNIEDIH-ROUUACIJSA-N 1 0 360.498 3.260 50 0 FGAARO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccc4nsnc4c2)C3)nc1 ZINC000091849336 494704253 /nfs/dbraw/zinc/70/42/53/494704253.db2.gz OQRSSDLATPLHKZ-FUHWJXTLSA-N 1 0 365.506 3.183 50 0 FGAARO O=S(=O)(Cc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000025370262 494729865 /nfs/dbraw/zinc/72/98/65/494729865.db2.gz GUMZRBNTNZHIRQ-UHFFFAOYSA-N 1 0 362.470 3.041 50 0 FGAARO CCCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCOCC2)C3=O)o1 ZINC000092038698 494764053 /nfs/dbraw/zinc/76/40/53/494764053.db2.gz ZCISMDPJFPSVLG-OAQYLSRUSA-N 1 0 360.498 3.226 50 0 FGAARO Cc1cnc(CN2C[C@@]3(CCC[N@H+](Cc4ccccc4)C3)CCC2=O)cn1 ZINC000092062502 494774557 /nfs/dbraw/zinc/77/45/57/494774557.db2.gz INVPYYWJTDCBQH-QFIPXVFZSA-N 1 0 364.493 3.190 50 0 FGAARO FC(F)Oc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)cc1 ZINC000092076927 494781852 /nfs/dbraw/zinc/78/18/52/494781852.db2.gz BXFGPVSWYBNAQQ-HZPDHXFCSA-N 1 0 360.408 3.179 50 0 FGAARO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccn(-c2ccccc2)n1 ZINC000025855871 494784225 /nfs/dbraw/zinc/78/42/25/494784225.db2.gz CPBXIXUXHIPXPU-UHFFFAOYSA-N 1 0 350.422 3.195 50 0 FGAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C)o2)cc1 ZINC000026311166 494817474 /nfs/dbraw/zinc/81/74/74/494817474.db2.gz UNVGUKIIBFNNFK-HNNXBMFYSA-N 1 0 350.484 3.469 50 0 FGAARO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000132356404 494861427 /nfs/dbraw/zinc/86/14/27/494861427.db2.gz GZFOYBWJDFMYCS-LBPRGKRZSA-N 1 0 355.385 3.311 50 0 FGAARO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000132356641 494861965 /nfs/dbraw/zinc/86/19/65/494861965.db2.gz GZFOYBWJDFMYCS-GFCCVEGCSA-N 1 0 355.385 3.311 50 0 FGAARO O=C(NC[C@@H]1CCCO1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000027613986 494877572 /nfs/dbraw/zinc/87/75/72/494877572.db2.gz MSQJBWRCOYTGNP-KRWDZBQOSA-N 1 0 370.415 3.213 50 0 FGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC000095355472 494962149 /nfs/dbraw/zinc/96/21/49/494962149.db2.gz FFMJYJRZJIGWSQ-HNNXBMFYSA-N 1 0 360.889 3.118 50 0 FGAARO COc1cc(F)c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c(F)c1 ZINC000095357340 494962435 /nfs/dbraw/zinc/96/24/35/494962435.db2.gz ORLMIDUQNSGNHN-HUUCEWRRSA-N 1 0 364.436 3.310 50 0 FGAARO COc1ccc2c(c1)CCN(C(=O)C[N@@H+]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000095357028 494962504 /nfs/dbraw/zinc/96/25/04/494962504.db2.gz XDHLVKZFFAKDBY-OAQYLSRUSA-N 1 0 364.489 3.112 50 0 FGAARO CCCCNC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095355422 494962641 /nfs/dbraw/zinc/96/26/41/494962641.db2.gz LGKQRARAZYZGRV-XUVXKRRUSA-N 1 0 357.498 3.067 50 0 FGAARO CN(C)C(=O)c1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)o1 ZINC000095359532 494963512 /nfs/dbraw/zinc/96/35/12/494963512.db2.gz XTILIHVPCACACF-RBUKOAKNSA-N 1 0 367.493 3.078 50 0 FGAARO CN(C)c1ccc(CCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000095367593 494965344 /nfs/dbraw/zinc/96/53/44/494965344.db2.gz MRWVFQLVLZLMKA-FQEVSTJZSA-N 1 0 351.494 3.192 50 0 FGAARO COc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c(F)c1 ZINC000095368978 494966159 /nfs/dbraw/zinc/96/61/59/494966159.db2.gz WGEHABROBDRSTE-IBGZPJMESA-N 1 0 368.452 3.473 50 0 FGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(=O)c3ccc(C)cc3o1)C2 ZINC000095368367 494966859 /nfs/dbraw/zinc/96/68/59/494966859.db2.gz GSQNRXKXAAMHNV-HZPDHXFCSA-N 1 0 354.450 3.048 50 0 FGAARO Cc1ccc2nc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4Cc4ccccc4)C3)cn2c1 ZINC000095374728 494968624 /nfs/dbraw/zinc/96/86/24/494968624.db2.gz RCOCNUJGCDSVOT-WOJBJXKFSA-N 1 0 374.488 3.379 50 0 FGAARO Cc1nc2c(cnn2C)c(NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)n1 ZINC000095380867 494969508 /nfs/dbraw/zinc/96/95/08/494969508.db2.gz YRLHFDWYLDKWMN-KRWDZBQOSA-N 1 0 354.433 3.060 50 0 FGAARO CCc1ccccc1NC(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095379506 494969540 /nfs/dbraw/zinc/96/95/40/494969540.db2.gz CCLXIFRKCJVSHH-GOSISDBHSA-N 1 0 369.513 3.419 50 0 FGAARO Cc1nc2c(cnn2C)c(NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)n1 ZINC000095380868 494969827 /nfs/dbraw/zinc/96/98/27/494969827.db2.gz YRLHFDWYLDKWMN-QGZVFWFLSA-N 1 0 354.433 3.060 50 0 FGAARO CS[C@H]1CN(c2nc(-c3ccncc3)nc3ccccc32)C[C@@H]1[NH+](C)C ZINC000095443229 494974780 /nfs/dbraw/zinc/97/47/80/494974780.db2.gz NAXBIPRVTPLCLX-ROUUACIJSA-N 1 0 365.506 3.174 50 0 FGAARO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc(F)cc(F)c1 ZINC000095422930 494974925 /nfs/dbraw/zinc/97/49/25/494974925.db2.gz MBILIFIFKAIPPN-XPIZARPCSA-N 1 0 360.448 3.498 50 0 FGAARO CC(C)c1ncc(Cl)c(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000095448270 494975731 /nfs/dbraw/zinc/97/57/31/494975731.db2.gz IIRJDLPNRKSCAV-GDBMZVCRSA-N 1 0 358.873 3.081 50 0 FGAARO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2cc(C)sc2C)c1 ZINC000095462580 494976398 /nfs/dbraw/zinc/97/63/98/494976398.db2.gz RVZGCOLAJPZREF-ZDUSSCGKSA-N 1 0 353.509 3.498 50 0 FGAARO CCc1ccccc1OCC(=O)Nc1ccnc(OC2CC[NH+](C)CC2)c1 ZINC000095462405 494976701 /nfs/dbraw/zinc/97/67/01/494976701.db2.gz KMORDUGJBYBWGG-UHFFFAOYSA-N 1 0 369.465 3.135 50 0 FGAARO COc1ccc(C[NH2+]C[C@@H](C)Oc2ccccn2)cc1Br ZINC000095472032 494978731 /nfs/dbraw/zinc/97/87/31/494978731.db2.gz ATMXHJKCEIGEAC-GFCCVEGCSA-N 1 0 351.244 3.410 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000095479777 494979347 /nfs/dbraw/zinc/97/93/47/494979347.db2.gz PIIOQUGCEVRXIS-HNNXBMFYSA-N 1 0 364.287 3.004 50 0 FGAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3ncoc3C)C2)cc1 ZINC000095519440 494985821 /nfs/dbraw/zinc/98/58/21/494985821.db2.gz QWPLZQJXCMNTJG-GOSISDBHSA-N 1 0 371.481 3.018 50 0 FGAARO Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000183695040 496083290 /nfs/dbraw/zinc/08/32/90/496083290.db2.gz ZJSPGGNOONNNCM-KRWDZBQOSA-N 1 0 353.470 3.130 50 0 FGAARO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000247818332 496919098 /nfs/dbraw/zinc/91/90/98/496919098.db2.gz HEHFHINGENINEB-WBVHZDCISA-N 1 0 361.463 3.112 50 0 FGAARO Cc1cccc(Cn2nc(C[NH2+]C(C)(C)CO)c(-c3ccccc3)n2)c1 ZINC000247906346 496926830 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Cc1nc(C)c(CC(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)s1 ZINC000215985920 496985854 /nfs/dbraw/zinc/98/58/54/496985854.db2.gz LZVWDGFXBHZEFJ-QGZVFWFLSA-N 1 0 361.486 3.395 50 0 FGAARO CSc1ncc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cn1 ZINC000216232122 496986434 /nfs/dbraw/zinc/98/64/34/496986434.db2.gz FMFIKSVRLPGBHH-OAHLLOKOSA-N 1 0 368.466 3.023 50 0 FGAARO Cc1noc(C)c1CCC(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000216447933 496989943 /nfs/dbraw/zinc/98/99/43/496989943.db2.gz VDFCICDCOVUGBE-IBGZPJMESA-N 1 0 359.445 3.316 50 0 FGAARO O=C(c1ccc(OC(F)F)cc1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000218926021 497006296 /nfs/dbraw/zinc/00/62/96/497006296.db2.gz GFIYUZAZRUNHMS-KRWDZBQOSA-N 1 0 368.424 3.005 50 0 FGAARO O=C(N1CC[N@H+](CC2CC2)[C@@H](CCO)C1)C1(c2ccccc2)CCCCC1 ZINC000219909448 497012152 /nfs/dbraw/zinc/01/21/52/497012152.db2.gz OAQMMYRCQSPYRO-NRFANRHFSA-N 1 0 370.537 3.194 50 0 FGAARO Cn1c(CCNc2cc(C3CC([NH3+])C3)nc(C3CC3)n2)nc2ccccc21 ZINC000219954995 497012562 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50 0 FGAARO CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000236694794 497133829 /nfs/dbraw/zinc/13/38/29/497133829.db2.gz ADKOFHAOEFZUGT-RISCZKNCSA-N 1 0 355.276 3.188 50 0 FGAARO COc1cc(/C=C/C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc(Cl)c1OC(C)C ZINC000237167168 497201091 /nfs/dbraw/zinc/20/10/91/497201091.db2.gz GYFKSFPEYHXIGP-RFMXEPQUSA-N 1 0 366.889 3.487 50 0 FGAARO O=C(CC[C@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1O)Nc1ccccc1 ZINC000252479624 497301911 /nfs/dbraw/zinc/30/19/11/497301911.db2.gz BIVKWBDREYMZMR-PZJWPPBQSA-N 1 0 352.478 3.331 50 0 FGAARO COc1ccccc1[C@H](CNC(=O)[C@H]1CCO[C@H]1C(C)C)[NH+]1CCCC1 ZINC000252527850 497310829 /nfs/dbraw/zinc/31/08/29/497310829.db2.gz DMNUJXHTPCLFOG-BJLQDIEVSA-N 1 0 360.498 3.009 50 0 FGAARO CN1CC[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000253415754 497332798 /nfs/dbraw/zinc/33/27/98/497332798.db2.gz UMUIWRDDPZWOAE-YYWHXJBOSA-N 1 0 360.448 3.293 50 0 FGAARO O=C(CC[N@@H+]1CCC[C@H](OCc2ccccn2)C1)Nc1cccc(F)c1 ZINC000244678571 497367777 /nfs/dbraw/zinc/36/77/77/497367777.db2.gz IFZNEJNBKAVQAG-IBGZPJMESA-N 1 0 357.429 3.231 50 0 FGAARO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccn2)c2cccnc12 ZINC000244774122 497369536 /nfs/dbraw/zinc/36/95/36/497369536.db2.gz POHNXEICENYDRF-CQSZACIVSA-N 1 0 350.422 3.097 50 0 FGAARO O[C@H]1C[C@@H](c2cc(NCC[NH+]3CCC(c4ccccc4)CC3)ncn2)C1 ZINC000244796192 497372188 /nfs/dbraw/zinc/37/21/88/497372188.db2.gz RURKLWJEPJQVBS-KDURUIRLSA-N 1 0 352.482 3.006 50 0 FGAARO CC(C)Cn1cncc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244874374 497373409 /nfs/dbraw/zinc/37/34/09/497373409.db2.gz XAEIAKXLMQTYBM-HXUWFJFHSA-N 1 0 354.498 3.210 50 0 FGAARO CCN1CCC([N@@H+]2C[C@@H](COc3ccccc3)C3(C2)CCOCC3)CC1 ZINC000257176954 497383505 /nfs/dbraw/zinc/38/35/05/497383505.db2.gz VFUGIHMJYGVWEM-IBGZPJMESA-N 1 0 358.526 3.278 50 0 FGAARO O[C@]1(c2ccccn2)CCOC2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000257175335 497383971 /nfs/dbraw/zinc/38/39/71/497383971.db2.gz OPBQKXUYVUBRNZ-OAQYLSRUSA-N 1 0 356.441 3.254 50 0 FGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCN(C(=O)C2CCCC2)CC1 ZINC000257182955 497385566 /nfs/dbraw/zinc/38/55/66/497385566.db2.gz HAIDQGSIIUXMAM-UHFFFAOYSA-N 1 0 367.493 3.330 50 0 FGAARO O=C(c1cncc(Br)c1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000257187264 497386877 /nfs/dbraw/zinc/38/68/77/497386877.db2.gz LOFOYGAYXUCUJW-CQSZACIVSA-N 1 0 366.303 3.182 50 0 FGAARO CC(C)CC(=O)N1CCC2(CC[C@H](C[N@H+](C)Cc3ccncc3)O2)CC1 ZINC000257192882 497387884 /nfs/dbraw/zinc/38/78/84/497387884.db2.gz WDQIWECRVOUIDH-LJQANCHMSA-N 1 0 359.514 3.100 50 0 FGAARO C[NH+](C)Cc1cccc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c1 ZINC000261611444 497418898 /nfs/dbraw/zinc/41/88/98/497418898.db2.gz BHDGYKWYIBEHKX-IBGZPJMESA-N 1 0 357.885 3.188 50 0 FGAARO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N(C1CC1)C1CCCC1 ZINC000190839438 497618108 /nfs/dbraw/zinc/61/81/08/497618108.db2.gz XZIMLQVDZNYCQJ-OAQYLSRUSA-N 1 0 371.525 3.394 50 0 FGAARO Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000575547986 505980002 /nfs/dbraw/zinc/98/00/02/505980002.db2.gz DILIHFXQGGZAGU-LJQANCHMSA-N 1 0 353.466 3.481 50 0 FGAARO Cc1cnc(C2CCOCC2)n1C[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000575547710 505980025 /nfs/dbraw/zinc/98/00/25/505980025.db2.gz SEJCHMLNTBDNBV-IBGZPJMESA-N 1 0 354.498 3.393 50 0 FGAARO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000333234784 498946775 /nfs/dbraw/zinc/94/67/75/498946775.db2.gz CTDXMUDSAOGVHL-XRXFAXGQSA-N 1 0 364.493 3.216 50 0 FGAARO C[NH2+]Cc1nnc(SCC[C@@H]2CC2(F)F)n1-c1cccc(OC)c1 ZINC000426485544 500278289 /nfs/dbraw/zinc/27/82/89/500278289.db2.gz HSRUDOFUXQQCDY-LLVKDONJSA-N 1 0 354.426 3.133 50 0 FGAARO C[C@H](NC(=O)N1CCC2(C1)CC[NH+](C)CC2)c1cnn(-c2ccccc2)c1 ZINC000426488528 500278677 /nfs/dbraw/zinc/27/86/77/500278677.db2.gz UUEKTVBNOHRZFT-KRWDZBQOSA-N 1 0 367.497 3.061 50 0 FGAARO COc1cccc(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2)n1 ZINC000426534143 500286458 /nfs/dbraw/zinc/28/64/58/500286458.db2.gz XVXPFSPHVZPNPR-ZWKOTPCHSA-N 1 0 351.450 3.066 50 0 FGAARO CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000426535584 500286551 /nfs/dbraw/zinc/28/65/51/500286551.db2.gz BGJQVHMQBOZOQX-GOSISDBHSA-N 1 0 360.889 3.418 50 0 FGAARO C[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(-c2ccc3c(c2)OCO3)c1 ZINC000426578781 500290940 /nfs/dbraw/zinc/29/09/40/500290940.db2.gz OWPPCWWESMTFPB-OAHLLOKOSA-N 1 0 352.434 3.296 50 0 FGAARO C[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc(-c3ccccc3CO)c1)CC2 ZINC000426599791 500293563 /nfs/dbraw/zinc/29/35/63/500293563.db2.gz ULKBKATXOXWSPY-UHFFFAOYSA-N 1 0 364.489 3.404 50 0 FGAARO COCc1cc(N2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)ncn1 ZINC000426674015 500304767 /nfs/dbraw/zinc/30/47/67/500304767.db2.gz INZJGRJOHOVJFX-NRFANRHFSA-N 1 0 358.530 3.496 50 0 FGAARO Cc1nc([C@@H]2CCOC2)cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000426746130 500314670 /nfs/dbraw/zinc/31/46/70/500314670.db2.gz ROEOFBZOTYSJKS-GOSISDBHSA-N 1 0 370.472 3.140 50 0 FGAARO Cc1ccnc(CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000509230117 502855239 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CC(C)(C)[NH2+]C[C@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000000538582 219304377 /nfs/dbraw/zinc/30/43/77/219304377.db2.gz MXFWWQICDIZSOA-KRWDZBQOSA-N 1 0 363.502 3.269 50 0 world FGAARO OCCC[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004139851 219547857 /nfs/dbraw/zinc/54/78/57/219547857.db2.gz GECKYGWNPGODBD-CQSZACIVSA-N 1 0 367.276 3.434 50 0 FGAARO O=C1NCCCC[C@@H]1[NH2+]Cc1cccc(OCCc2ccccc2F)c1 ZINC000299763434 223084379 /nfs/dbraw/zinc/08/43/79/223084379.db2.gz WLWXZEFECZWHJQ-FQEVSTJZSA-N 1 0 356.441 3.206 50 0 FGAARO O=C(NCc1[nH]nc2c1CCCCC2)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000299765658 223086568 /nfs/dbraw/zinc/08/65/68/223086568.db2.gz PNJSIQLYMGPJJC-OAQYLSRUSA-N 1 0 366.509 3.350 50 0 FGAARO O=C(Nc1ccnn1C1CC[NH+](CCCC2CCCC2)CC1)[C@@H]1CCOC1 ZINC000012197864 219965291 /nfs/dbraw/zinc/96/52/91/219965291.db2.gz CAGVICBWVYOEGR-GOSISDBHSA-N 1 0 374.529 3.465 50 0 FGAARO CCCCOc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OC ZINC000012525472 220003183 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CCCC[NH+]1CCN(C(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000013323161 220063689 /nfs/dbraw/zinc/06/36/89/220063689.db2.gz WYZTUPJERYKPGJ-UHFFFAOYSA-N 1 0 355.866 3.307 50 0 FGAARO Fc1cccc(NC(=S)N2CCCC[C@H]2CCN2CCOCC2)c1 ZINC000013685728 220085637 /nfs/dbraw/zinc/08/56/37/220085637.db2.gz MPGSTISPGIINMP-KRWDZBQOSA-N 1 0 351.491 3.099 50 0 FGAARO Cc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc3c(c2)OCO3)cc1 ZINC000013777628 220094974 /nfs/dbraw/zinc/09/49/74/220094974.db2.gz PSOWKQIGUHITRQ-JOCHJYFZSA-N 1 0 365.453 3.374 50 0 FGAARO O=C1c2ccccc2C(=O)N1CCCCSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000014199334 220116069 /nfs/dbraw/zinc/11/60/69/220116069.db2.gz MIKFJWQNYQWFRO-HOTGVXAUSA-N 1 0 357.479 3.066 50 0 FGAARO CC(C)CC[NH2+][C@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014543700 220125859 /nfs/dbraw/zinc/12/58/59/220125859.db2.gz AJRJLBNWSQACEG-KRWDZBQOSA-N 1 0 360.546 3.268 50 0 FGAARO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+](C(C)C)CC2)C1=O ZINC000014741831 220131259 /nfs/dbraw/zinc/13/12/59/220131259.db2.gz UNVYOWSEOCZHNE-UHFFFAOYSA-N 1 0 357.498 3.145 50 0 FGAARO CC(C)Cc1ccc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1 ZINC000014979058 220138782 /nfs/dbraw/zinc/13/87/82/220138782.db2.gz DRZHIWORQJCAHK-LJQANCHMSA-N 1 0 354.498 3.386 50 0 FGAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](n2cc(C(=O)NC3CCCC3)nn2)C1 ZINC000014995856 220140803 /nfs/dbraw/zinc/14/08/03/220140803.db2.gz YVCIHAZWBVPMBD-LJQANCHMSA-N 1 0 367.497 3.096 50 0 FGAARO O=C1N(CC2CCC2)CCC[C@]1(O)C[NH2+]Cc1ccc2sccc2c1 ZINC000015080702 220146752 /nfs/dbraw/zinc/14/67/52/220146752.db2.gz NFRPTDNHAORQKS-FQEVSTJZSA-N 1 0 358.507 3.145 50 0 FGAARO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000015080387 220147565 /nfs/dbraw/zinc/14/75/65/220147565.db2.gz WPRLWNVBQLISRR-IBGZPJMESA-N 1 0 361.873 3.451 50 0 FGAARO Cc1cccc(CNc2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)n1 ZINC000015063650 220143862 /nfs/dbraw/zinc/14/38/62/220143862.db2.gz WAECKGULAQNDPV-IBGZPJMESA-N 1 0 367.497 3.001 50 0 FGAARO FC(F)(F)c1cccc(C[C@H]2C[N@H+](CCCn3cccn3)CCO2)c1 ZINC000015066636 220144773 /nfs/dbraw/zinc/14/47/73/220144773.db2.gz YEOZQHWTQYMPSU-KRWDZBQOSA-N 1 0 353.388 3.236 50 0 FGAARO COCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000015862278 220170282 /nfs/dbraw/zinc/17/02/82/220170282.db2.gz GTJNLTQRKIJQAT-UHFFFAOYSA-N 1 0 358.388 3.455 50 0 FGAARO CCOc1cc(CN2CCN(Cc3ccc(OC)cc3)CC2)ccc1OC ZINC000019532063 220268027 /nfs/dbraw/zinc/26/80/27/220268027.db2.gz RFJLMZYUGVFXPE-UHFFFAOYSA-N 1 0 370.493 3.420 50 0 FGAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019739778 220291424 /nfs/dbraw/zinc/29/14/24/220291424.db2.gz FWWKIVOGLHUYIP-SFHVURJKSA-N 1 0 367.472 3.236 50 0 FGAARO COc1cc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc(OC)c1OC ZINC000019789395 220297264 /nfs/dbraw/zinc/29/72/64/220297264.db2.gz YAMIXNQGODBAGT-QGZVFWFLSA-N 1 0 360.498 3.186 50 0 FGAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1cc(Cl)c(OC)c(OC)c1)C2 ZINC000019838217 220302055 /nfs/dbraw/zinc/30/20/55/220302055.db2.gz IFCQRCZKNLIZBD-AWEZNQCLSA-N 1 0 363.841 3.459 50 0 FGAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc3c(c1)OCCO3)[NH2+]CC2 ZINC000020494414 220329079 /nfs/dbraw/zinc/32/90/79/220329079.db2.gz ILVHNIUNVYILPX-OAQYLSRUSA-N 1 0 355.434 3.490 50 0 FGAARO CC[NH+](CC)CCCNc1ncnc2onc(-c3ccccc3OC)c21 ZINC000021715068 220364946 /nfs/dbraw/zinc/36/49/46/220364946.db2.gz JZCHKJQVFZXCMS-UHFFFAOYSA-N 1 0 355.442 3.437 50 0 FGAARO CC[NH+](CC)CCn1c(C)c(C)c2c3nc(-c4cccnc4)nn3cnc21 ZINC000021801836 220367575 /nfs/dbraw/zinc/36/75/75/220367575.db2.gz OCBMEOLCEPHNTG-UHFFFAOYSA-N 1 0 363.469 3.100 50 0 FGAARO COc1ccc([C@H](CNC(=O)c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000021911908 220371159 /nfs/dbraw/zinc/37/11/59/220371159.db2.gz IDYMKCFBGPWOIP-IBGZPJMESA-N 1 0 354.450 3.271 50 0 FGAARO Cc1cc(Cl)ccc1OC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022130501 220377068 /nfs/dbraw/zinc/37/70/68/220377068.db2.gz JMXMGKMFSPKNHQ-HXUWFJFHSA-N 1 0 374.912 3.206 50 0 FGAARO COC(=O)c1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000022085101 220377392 /nfs/dbraw/zinc/37/73/92/220377392.db2.gz QQVVNTAEBLLONN-GOSISDBHSA-N 1 0 373.424 3.017 50 0 FGAARO Fc1ccc(COc2cccc(C[NH2+]CCCN3CCOCC3)c2)cc1 ZINC000022074076 220377482 /nfs/dbraw/zinc/37/74/82/220377482.db2.gz RREFPSKXSSCGFW-UHFFFAOYSA-N 1 0 358.457 3.217 50 0 FGAARO CN1CC[NH+](CCCCOc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000022309802 220382431 /nfs/dbraw/zinc/38/24/31/220382431.db2.gz JRCJEUHVDLYWKS-UHFFFAOYSA-N 1 0 352.478 3.324 50 0 FGAARO C[NH+]1CCN(Cc2c3c(sc2NC(=O)c2ccccc2F)CCC3)CC1 ZINC000022576694 220391043 /nfs/dbraw/zinc/39/10/43/220391043.db2.gz LCVKDTPMRKJMAU-UHFFFAOYSA-N 1 0 373.497 3.376 50 0 FGAARO CCOC(=O)c1c(C)oc2ncnc(NCC[NH+]3[C@H](C)CCC[C@H]3C)c21 ZINC000033250186 220720986 /nfs/dbraw/zinc/72/09/86/220720986.db2.gz NWBCUGVMBSKEER-CHWSQXEVSA-N 1 0 360.458 3.383 50 0 FGAARO CC(=O)N(C)C1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000048363055 221011608 /nfs/dbraw/zinc/01/16/08/221011608.db2.gz BVKDPOZRRWNNRM-UHFFFAOYSA-N 1 0 365.477 3.382 50 0 FGAARO Cn1c2ccccc2c(Br)c1C(=O)NCC(C)(C)[NH+](C)C ZINC000056129440 221078507 /nfs/dbraw/zinc/07/85/07/221078507.db2.gz RZGJHFFBQMTPFE-UHFFFAOYSA-N 1 0 352.276 3.011 50 0 FGAARO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CC=CCC1 ZINC000056994466 221082992 /nfs/dbraw/zinc/08/29/92/221082992.db2.gz OEROKRRGNGTTSI-OAQYLSRUSA-N 1 0 355.526 3.057 50 0 FGAARO COc1ccccc1C[C@H](C)NC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000058168592 221101812 /nfs/dbraw/zinc/10/18/12/221101812.db2.gz BJCAHOHDFZMADF-KURKYZTESA-N 1 0 361.530 3.293 50 0 FGAARO Cc1ccc(SCC[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)cc1C ZINC000058172109 221102780 /nfs/dbraw/zinc/10/27/80/221102780.db2.gz MLIZRVZSEZBQMR-UHFFFAOYSA-N 1 0 372.538 3.023 50 0 FGAARO CC1CCN(c2nnc(SCc3nccn3C)n2Cc2ccco2)CC1 ZINC000058114556 221098049 /nfs/dbraw/zinc/09/80/49/221098049.db2.gz VGPXYEZDMLXVSD-UHFFFAOYSA-N 1 0 372.498 3.182 50 0 FGAARO Cc1noc2nc(C3CC3)cc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)c12 ZINC000058268456 221112522 /nfs/dbraw/zinc/11/25/22/221112522.db2.gz NWAQTVFDBRNWFX-AWEZNQCLSA-N 1 0 356.470 3.259 50 0 FGAARO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2)c1ccccc1 ZINC000058445809 221120869 /nfs/dbraw/zinc/12/08/69/221120869.db2.gz KMUWUXAWBXXCDY-STQMWFEESA-N 1 0 371.506 3.261 50 0 FGAARO Cc1c(C[N@@H+](C)[C@H](C)Cc2cc(C)ccn2)c2ccccc2n1CC(N)=O ZINC000063832433 221143145 /nfs/dbraw/zinc/14/31/45/221143145.db2.gz ZOLUDCBEWSZEMQ-MRXNPFEDSA-N 1 0 364.493 3.201 50 0 FGAARO COc1cc2c(cc1NC(C)=O)NC(=O)C[C@@H]2C1CC[NH+](C(C)C)CC1 ZINC000065371534 221204433 /nfs/dbraw/zinc/20/44/33/221204433.db2.gz PWNDOAMFAYQNFF-OAHLLOKOSA-N 1 0 359.470 3.200 50 0 FGAARO c1nn2cccnc2c1C[N@@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065385305 221208479 /nfs/dbraw/zinc/20/84/79/221208479.db2.gz PBFFSMBCHOGBNO-GOSISDBHSA-N 1 0 356.433 3.176 50 0 FGAARO Cc1ccsc1[C@H](CNC(=O)CC(=O)Nc1cc(C)ccc1C)[NH+](C)C ZINC000065394762 221209624 /nfs/dbraw/zinc/20/96/24/221209624.db2.gz IFVQIZPCDAHKIT-KRWDZBQOSA-N 1 0 373.522 3.421 50 0 FGAARO CCOc1c(CNc2nc(CC[NH3+])nc3ccccc32)cccc1OC ZINC000065410957 221216545 /nfs/dbraw/zinc/21/65/45/221216545.db2.gz CLIKOIUOLPXDLW-UHFFFAOYSA-N 1 0 352.438 3.150 50 0 FGAARO O[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)CC[C@H]1c1ccc(F)cc1 ZINC000065468341 221222945 /nfs/dbraw/zinc/22/29/45/221222945.db2.gz MVLBWFOTZLRACA-LEWJYISDSA-N 1 0 351.425 3.362 50 0 FGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@H](Nc2ccccc2)C1 ZINC000065565323 221233747 /nfs/dbraw/zinc/23/37/47/221233747.db2.gz DRYTVWSNVROCEJ-RBUKOAKNSA-N 1 0 368.481 3.313 50 0 FGAARO C[C@]1(C(=O)N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)CCC[NH2+]C1 ZINC000067675307 221268989 /nfs/dbraw/zinc/26/89/89/221268989.db2.gz CFIUCIARFIXBHJ-NRFANRHFSA-N 1 0 370.472 3.312 50 0 FGAARO C[C@@H](Cn1cnc2ccccc2c1=O)[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000067790509 221286967 /nfs/dbraw/zinc/28/69/67/221286967.db2.gz IWBXQZJHKRXLKS-LBPRGKRZSA-N 1 0 367.840 3.105 50 0 FGAARO C[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2ccc3[nH]c(=O)oc3c2)c1 ZINC000067856428 221296149 /nfs/dbraw/zinc/29/61/49/221296149.db2.gz BKGVRMABHSIMJW-ZDUSSCGKSA-N 1 0 351.406 3.358 50 0 FGAARO Cn1nc([C@H]2CCC[N@@H+](C3CCCCCC3)C2)n(-c2ccccc2)c1=O ZINC000067868630 221296969 /nfs/dbraw/zinc/29/69/69/221296969.db2.gz YPPQKWWYCRBSQZ-KRWDZBQOSA-N 1 0 354.498 3.473 50 0 FGAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@H+](C)Cc3ccco3)C2=O)cc1 ZINC000067867437 221297153 /nfs/dbraw/zinc/29/71/53/221297153.db2.gz JPXBXMHDKFETBC-JOCHJYFZSA-N 1 0 370.493 3.389 50 0 FGAARO CCc1nccc(C[NH+]2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)n1 ZINC000067872655 221298840 /nfs/dbraw/zinc/29/88/40/221298840.db2.gz KDJJOTXPAYYKEW-UHFFFAOYSA-N 1 0 362.477 3.379 50 0 FGAARO COc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000067979352 221311867 /nfs/dbraw/zinc/31/18/67/221311867.db2.gz NWEAIGGHMZTZRC-IRXDYDNUSA-N 1 0 368.477 3.234 50 0 FGAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3cccc(C)c3C)cnn2c1 ZINC000067955637 221309602 /nfs/dbraw/zinc/30/96/02/221309602.db2.gz LQFIOLRSDRWMHF-UHFFFAOYSA-N 1 0 351.454 3.440 50 0 FGAARO CC[NH+](CC)CCNC(=O)c1sc(Nc2ccc(Cl)cn2)nc1C ZINC000071326760 221343116 /nfs/dbraw/zinc/34/31/16/221343116.db2.gz AIVMGXGKWOGBKU-UHFFFAOYSA-N 1 0 367.906 3.315 50 0 FGAARO C[NH+]1CCC(CCNS(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000071375717 221345408 /nfs/dbraw/zinc/34/54/08/221345408.db2.gz KYZUMNYOQQMQHQ-UHFFFAOYSA-N 1 0 365.326 3.145 50 0 FGAARO COc1ccc(-n2ccnc2-c2nccn2C[C@]2(C)CC[N@H+](C)C2)cc1 ZINC000071589735 221352836 /nfs/dbraw/zinc/35/28/36/221352836.db2.gz SSMSGXNMEPZTLP-HXUWFJFHSA-N 1 0 351.454 3.086 50 0 FGAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@@H](C)CC(F)(F)F ZINC000071738694 221356824 /nfs/dbraw/zinc/35/68/24/221356824.db2.gz XBBPMKCXLMIYGR-NSHDSACASA-N 1 0 371.403 3.419 50 0 FGAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1F ZINC000071745965 221358649 /nfs/dbraw/zinc/35/86/49/221358649.db2.gz DJZSALPNNVNJCJ-SFHVURJKSA-N 1 0 373.516 3.089 50 0 FGAARO O=C(Cc1cccc(O)c1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071747052 221359384 /nfs/dbraw/zinc/35/93/84/221359384.db2.gz YFBRIFOAEKTSTF-YMPZKCBVSA-N 1 0 362.473 3.024 50 0 FGAARO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)[nH]n1 ZINC000071750546 221361994 /nfs/dbraw/zinc/36/19/94/221361994.db2.gz LMFGVLXZMXELGB-LJQANCHMSA-N 1 0 358.461 3.230 50 0 FGAARO CC(C)[C@H]1C[N@H+](CCC(=O)NC2CC2)CCCN1Cc1ccc(F)cc1 ZINC000071751695 221362510 /nfs/dbraw/zinc/36/25/10/221362510.db2.gz UNIBNEDBPSOTGA-HXUWFJFHSA-N 1 0 361.505 3.027 50 0 FGAARO Cc1cccn2cc(C(=O)N3CCC[N@H+](CC4CC4)[C@H](C(C)C)C3)nc12 ZINC000071753235 221364290 /nfs/dbraw/zinc/36/42/90/221364290.db2.gz WDJVSMOLPROWDS-IBGZPJMESA-N 1 0 354.498 3.225 50 0 FGAARO CCN(C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)C(C)C ZINC000071765075 221371081 /nfs/dbraw/zinc/37/10/81/221371081.db2.gz NHWQRXOZPTWVMS-FQEVSTJZSA-N 1 0 372.557 3.015 50 0 FGAARO CCc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ccn1 ZINC000071764676 221371532 /nfs/dbraw/zinc/37/15/32/221371532.db2.gz KUHKWGNRHIYZCC-YPAWHYETSA-N 1 0 361.489 3.346 50 0 FGAARO CCc1ccccc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071775489 221375052 /nfs/dbraw/zinc/37/50/52/221375052.db2.gz QAQGJDLERKOJBX-HXUWFJFHSA-N 1 0 369.553 3.204 50 0 FGAARO CCCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071775474 221375651 /nfs/dbraw/zinc/37/56/51/221375651.db2.gz SFIOBVCQSBFJTG-FQEVSTJZSA-N 1 0 372.557 3.017 50 0 FGAARO O=C1Nc2ccccc2C12CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000072125662 221411109 /nfs/dbraw/zinc/41/11/09/221411109.db2.gz USSUXUSMJZBOQH-UHFFFAOYSA-N 1 0 359.429 3.014 50 0 FGAARO C[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)C(C)(C)C[NH+](C)C ZINC000072297865 221458985 /nfs/dbraw/zinc/45/89/85/221458985.db2.gz UPLOHRNWVTWPIE-CYBMUJFWSA-N 1 0 364.515 3.213 50 0 FGAARO O[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CCOCC1)c1ccc(F)cc1 ZINC000079073515 132192596 /nfs/dbraw/zinc/19/25/96/132192596.db2.gz WDNCCVKHCPRGKM-IBGZPJMESA-N 1 0 364.848 3.139 50 0 FGAARO CSc1nccc(N2CCC([NH2+]C[C@H]3OCCc4ccccc43)CC2)n1 ZINC000095370818 132208542 /nfs/dbraw/zinc/20/85/42/132208542.db2.gz VSSPGKCESVTPKY-GOSISDBHSA-N 1 0 370.522 3.071 50 0 FGAARO CC[C@H](O)c1cc2n(n1)CCC[N@@H+](C1CCN(c3ccccc3F)CC1)C2 ZINC000221354185 132276446 /nfs/dbraw/zinc/27/64/46/132276446.db2.gz TWJSUNYECDYHPV-NRFANRHFSA-N 1 0 372.488 3.340 50 0 FGAARO Cc1cc([C@@H]2CCCCN2CC[NH+]2CCN(c3ccccc3)CC2)no1 ZINC000243885811 132289624 /nfs/dbraw/zinc/28/96/24/132289624.db2.gz ACLSHESUIDDUHU-NRFANRHFSA-N 1 0 354.498 3.332 50 0 FGAARO C[C@H](CNC(=O)/C=C\c1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000096256109 132377859 /nfs/dbraw/zinc/37/78/59/132377859.db2.gz XETZFSZZPCIHKD-ZVBPTUHVSA-N 1 0 367.468 3.166 50 0 FGAARO Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000000803533 132378494 /nfs/dbraw/zinc/37/84/94/132378494.db2.gz JLVKRZJPZNMACE-UHFFFAOYSA-N 1 0 353.466 3.073 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1 ZINC000001117351 132380239 /nfs/dbraw/zinc/38/02/39/132380239.db2.gz DWMUFSGXDMYDJN-UHFFFAOYSA-N 1 0 374.282 3.453 50 0 FGAARO COC(=O)c1cnc(N2CC[NH+](C3CCCCC3)CC2)c2ccccc12 ZINC000021650057 132901752 /nfs/dbraw/zinc/90/17/52/132901752.db2.gz 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C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@@H](O)c1ccc(O)cc1 ZINC000097743251 222208615 /nfs/dbraw/zinc/20/86/15/222208615.db2.gz MSPAQHVRZHJMMP-IIBYNOLFSA-N 1 0 368.477 3.230 50 0 FGAARO COCC[N@@H+]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)C1 ZINC000101896728 222287092 /nfs/dbraw/zinc/28/70/92/222287092.db2.gz JAKBUJDICDDJIY-HAGHYFMRSA-N 1 0 374.500 3.339 50 0 FGAARO Cc1ccc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cc1F ZINC000107399393 222394181 /nfs/dbraw/zinc/39/41/81/222394181.db2.gz PFAFNIJSVBLLES-JOCHJYFZSA-N 1 0 373.516 3.043 50 0 FGAARO CCOc1cc(C(=O)N2CCCC[C@H]2C[NH3+])ccc1OCc1cccnc1 ZINC000130949598 263455384 /nfs/dbraw/zinc/45/53/84/263455384.db2.gz ARTYEQNZOGLLAK-SFHVURJKSA-N 1 0 369.465 3.013 50 0 FGAARO C[NH+]1CCC(N(Cc2cccnc2)C(=O)NCc2ccc(F)c(F)c2)CC1 ZINC000426415328 263583285 /nfs/dbraw/zinc/58/32/85/263583285.db2.gz KVOYLXSXWPJKKY-UHFFFAOYSA-N 1 0 374.435 3.166 50 0 FGAARO Cc1cc(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)c(C)o1 ZINC000028227167 493780641 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COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@@H]1COc3ccccc3O1)CC2 ZINC000004024840 493861178 /nfs/dbraw/zinc/86/11/78/493861178.db2.gz DLTRURUXNANRAY-GOEBONIOSA-N 1 0 355.434 3.463 50 0 FGAARO O[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1ccc(Cl)c(Cl)c1 ZINC000004299585 493871171 /nfs/dbraw/zinc/87/11/71/493871171.db2.gz LHLWGNFFZORFEA-LBPRGKRZSA-N 1 0 370.232 3.252 50 0 FGAARO COc1ccc([N+]2=C3SCCCN3C[C@]2(O)c2ccc(C)cc2)cc1 ZINC000004966267 493903921 /nfs/dbraw/zinc/90/39/21/493903921.db2.gz ZNZQOVVRCBYUJO-FQEVSTJZSA-N 1 0 355.483 3.174 50 0 FGAARO CC[NH+]1CCN(c2cc(C)nc3c(-c4ccccc4OC)c(C)nn32)CC1 ZINC000005347888 493927155 /nfs/dbraw/zinc/92/71/55/493927155.db2.gz WKRZNMGGKZBYIS-UHFFFAOYSA-N 1 0 365.481 3.164 50 0 FGAARO Cc1ccc(C)c(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000005483531 493932071 /nfs/dbraw/zinc/93/20/71/493932071.db2.gz WKCRJEVLTKCATR-LJQANCHMSA-N 1 0 361.445 3.249 50 0 FGAARO CC1(C)C[C@](CC[NH2+]CCCN2CCOCC2)(c2ccccc2)CCO1 ZINC000006759044 493978176 /nfs/dbraw/zinc/97/81/76/493978176.db2.gz VSYNDVSNUJYVRB-JOCHJYFZSA-N 1 0 360.542 3.215 50 0 FGAARO c1cc2c(ncnc2NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)[nH]1 ZINC000082096351 493978465 /nfs/dbraw/zinc/97/84/65/493978465.db2.gz GGDGJXBJPIOGFH-UHFFFAOYSA-N 1 0 365.485 3.305 50 0 FGAARO COCCN1C[C@@]2(CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CCC1=O ZINC000082127122 493979816 /nfs/dbraw/zinc/97/98/16/493979816.db2.gz KHBNHWUVXQCWFP-IBGZPJMESA-N 1 0 368.880 3.330 50 0 FGAARO C[C@H]1Cc2cc(C[NH+]3CCC4(CC3)Nc3ccccc3NC4=O)ccc2O1 ZINC000082146815 493981293 /nfs/dbraw/zinc/98/12/93/493981293.db2.gz MKQLPNGGMDXULP-HNNXBMFYSA-N 1 0 363.461 3.409 50 0 FGAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000006882462 493985193 /nfs/dbraw/zinc/98/51/93/493985193.db2.gz UHQJNVNSXMRHCL-UHFFFAOYSA-N 1 0 356.466 3.279 50 0 FGAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000032425189 493987980 /nfs/dbraw/zinc/98/79/80/493987980.db2.gz OYCTWTHYRLQIFZ-QGZVFWFLSA-N 1 0 360.429 3.172 50 0 FGAARO CC1=C(C(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)C2(CCCCC2)OC1=O ZINC000006933746 493987997 /nfs/dbraw/zinc/98/79/97/493987997.db2.gz FIHFNGFLRKANJB-IYBDPMFKSA-N 1 0 362.514 3.332 50 0 FGAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1noc2c1CCCCC2 ZINC000007000091 493993095 /nfs/dbraw/zinc/99/30/95/493993095.db2.gz PJLANIPROFVTQN-UHFFFAOYSA-N 1 0 353.466 3.122 50 0 FGAARO COc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCCC2)cc1 ZINC000007004103 493993355 /nfs/dbraw/zinc/99/33/55/493993355.db2.gz GMCZYCJBCAQVMN-OAQYLSRUSA-N 1 0 368.477 3.336 50 0 FGAARO Cc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1Cc1ccco1 ZINC000007030644 493994806 /nfs/dbraw/zinc/99/48/06/493994806.db2.gz LCAKSKLPMQQCPH-SFHVURJKSA-N 1 0 360.421 3.192 50 0 FGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000007127447 494002903 /nfs/dbraw/zinc/00/29/03/494002903.db2.gz LEBUIMFAOLUGEW-ZDUSSCGKSA-N 1 0 360.190 3.034 50 0 FGAARO COc1ccc(COC[C@H](O)C[NH+](CC(C)C)CC(C)C)cc1OC ZINC000032682335 494005014 /nfs/dbraw/zinc/00/50/14/494005014.db2.gz BXVOMELEHIOSRW-GOSISDBHSA-N 1 0 353.503 3.195 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(F)cc1)c1cccc(F)c1 ZINC000032728513 494008281 /nfs/dbraw/zinc/00/82/81/494008281.db2.gz IARAHOOEJURWCW-KRWDZBQOSA-N 1 0 350.434 3.476 50 0 FGAARO CCOc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc(Cl)c1O ZINC000007984729 494057562 /nfs/dbraw/zinc/05/75/62/494057562.db2.gz ATKPDAJOMHMJJY-INIZCTEOSA-N 1 0 362.857 3.477 50 0 FGAARO CCc1ccc2nc(C)cc(C(=O)N3CCC[C@](O)(C[NH+](C)C)CC3)c2c1 ZINC000077321527 494057841 /nfs/dbraw/zinc/05/78/41/494057841.db2.gz LMNMIVHKZFBLKX-JOCHJYFZSA-N 1 0 369.509 3.024 50 0 FGAARO Cc1cc(N2CCCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)cc[nH+]1 ZINC000077341272 494061587 /nfs/dbraw/zinc/06/15/87/494061587.db2.gz QRPNPPVQMSSYBD-UHFFFAOYSA-N 1 0 359.857 3.030 50 0 FGAARO COCCC[N@@H+](Cc1ccco1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036096483 494087176 /nfs/dbraw/zinc/08/71/76/494087176.db2.gz IVRBCXRAWRVAHV-INIZCTEOSA-N 1 0 353.846 3.211 50 0 FGAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)CN1C1CC1 ZINC000077456142 494087697 /nfs/dbraw/zinc/08/76/97/494087697.db2.gz NTSVFFGXTNJBSN-JOCHJYFZSA-N 1 0 364.493 3.239 50 0 FGAARO COCCCN1C[C@@]2(CCC[N@H+](Cc3ccc(OC)cc3C)C2)CCC1=O ZINC000077487851 494094040 /nfs/dbraw/zinc/09/40/40/494094040.db2.gz GTLZESKLMMHKET-QFIPXVFZSA-N 1 0 374.525 3.245 50 0 FGAARO CCC[NH+](CCC)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000036744650 494097583 /nfs/dbraw/zinc/09/75/83/494097583.db2.gz CAHACJDAZGCDHE-HNNXBMFYSA-N 1 0 371.403 3.415 50 0 FGAARO COC(=O)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000008987165 494111775 /nfs/dbraw/zinc/11/17/75/494111775.db2.gz OJALIVFYGOYCQS-UHFFFAOYSA-N 1 0 358.482 3.392 50 0 FGAARO CCOc1cccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)c1 ZINC000039455264 494120835 /nfs/dbraw/zinc/12/08/35/494120835.db2.gz PIHIIVKSYKEQNN-JOCHJYFZSA-N 1 0 368.521 3.463 50 0 FGAARO CC(C)CCn1c2ccccc2nc1CN1CC[N@H+](C(C)C)[C@H](CCO)C1 ZINC000039406524 494121069 /nfs/dbraw/zinc/12/10/69/494121069.db2.gz QIOPEUORGLPXCB-LJQANCHMSA-N 1 0 372.557 3.359 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000009577249 494127948 /nfs/dbraw/zinc/12/79/48/494127948.db2.gz FCTZXESIKLMABJ-HNNXBMFYSA-N 1 0 354.479 3.301 50 0 FGAARO Cc1cc(C(=O)N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)ccc1O ZINC000072126686 494129476 /nfs/dbraw/zinc/12/94/76/494129476.db2.gz SZPQOHKRWOAJIK-FQEVSTJZSA-N 1 0 352.478 3.480 50 0 FGAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000040089813 494130413 /nfs/dbraw/zinc/13/04/13/494130413.db2.gz MUMPWONAHYXSGE-UHFFFAOYSA-N 1 0 359.420 3.355 50 0 FGAARO CCCn1ccnc1CN1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072143913 494133091 /nfs/dbraw/zinc/13/30/91/494133091.db2.gz MLMJSOZSILTVSL-KSEOMHKRSA-N 1 0 366.509 3.061 50 0 FGAARO Cc1cnn(CCC[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072143459 494133481 /nfs/dbraw/zinc/13/34/81/494133481.db2.gz BIHDUEKXZRIDIL-YPAWHYETSA-N 1 0 368.500 3.283 50 0 FGAARO Cc1cnn(CCC[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072143282 494133683 /nfs/dbraw/zinc/13/36/83/494133683.db2.gz BIHDUEKXZRIDIL-BHDDXSALSA-N 1 0 368.500 3.283 50 0 FGAARO COc1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC ZINC000009874064 494134024 /nfs/dbraw/zinc/13/40/24/494134024.db2.gz LKZORTLMURTDDM-UHFFFAOYSA-N 1 0 365.474 3.143 50 0 FGAARO COc1cc(OC)cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000009992063 494138971 /nfs/dbraw/zinc/13/89/71/494138971.db2.gz JVWIMYOGZHOKAR-UHFFFAOYSA-N 1 0 354.450 3.230 50 0 FGAARO Cc1cc(C(=O)N2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)ccc1O ZINC000072166417 494140216 /nfs/dbraw/zinc/14/02/16/494140216.db2.gz OKRDTKBABGOCLR-FQEVSTJZSA-N 1 0 350.462 3.364 50 0 FGAARO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)CCc3ccccc3)C2)cc1 ZINC000072165173 494140624 /nfs/dbraw/zinc/14/06/24/494140624.db2.gz WIQADTUMIUKOOD-FQEVSTJZSA-N 1 0 350.462 3.199 50 0 FGAARO Clc1cncc(Cl)c1CN1CCC[N@H+](Cc2cccnc2)CC1 ZINC000072168836 494141589 /nfs/dbraw/zinc/14/15/89/494141589.db2.gz VHJVAUBYAYJSHC-UHFFFAOYSA-N 1 0 351.281 3.491 50 0 FGAARO C[NH+]1CCC(N(Cc2ccncc2)Cc2ccccc2-n2cccn2)CC1 ZINC000072169263 494143157 /nfs/dbraw/zinc/14/31/57/494143157.db2.gz JLMNOYRLUKBNQS-UHFFFAOYSA-N 1 0 361.493 3.364 50 0 FGAARO O[C@@H]1Cc2ccccc2C12CC[NH+](Cc1cccc(Cn3cccn3)c1)CC2 ZINC000072172912 494143446 /nfs/dbraw/zinc/14/34/46/494143446.db2.gz PLDNYYXQFLMRIU-HSZRJFAPSA-N 1 0 373.500 3.382 50 0 FGAARO COCC[NH2+]Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040743608 494146230 /nfs/dbraw/zinc/14/62/30/494146230.db2.gz IYIKLUKDFDIPEH-UHFFFAOYSA-N 1 0 362.857 3.402 50 0 FGAARO CCn1cc(Br)cc1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000072297558 494148712 /nfs/dbraw/zinc/14/87/12/494148712.db2.gz HWHJKBRTCWAHKS-UHFFFAOYSA-N 1 0 356.308 3.122 50 0 FGAARO C[NH+](C)[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072407782 494165723 /nfs/dbraw/zinc/16/57/23/494165723.db2.gz ASHIFANGCZHSOL-NHCUHLMSSA-N 1 0 366.505 3.348 50 0 FGAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N(C)Cc2csc(-c3ccccc3)n2)C1 ZINC000072408711 494165961 /nfs/dbraw/zinc/16/59/61/494165961.db2.gz RKHVHQCUNXIOKZ-SFHVURJKSA-N 1 0 373.522 3.268 50 0 FGAARO Cc1cccnc1CN1CC[NH+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072430824 494172387 /nfs/dbraw/zinc/17/23/87/494172387.db2.gz VGAQLQYIKVAWJG-UHFFFAOYSA-N 1 0 367.537 3.411 50 0 FGAARO C[C@@H](C1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1)[NH+]1CCCC1 ZINC000072436109 494175242 /nfs/dbraw/zinc/17/52/42/494175242.db2.gz FRYQDRPUAWLFSO-AWEZNQCLSA-N 1 0 371.456 3.004 50 0 FGAARO COCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc4ccn(C)c4c3)CC[C@H]21 ZINC000072447911 494176005 /nfs/dbraw/zinc/17/60/05/494176005.db2.gz CJMSHPGRQXZPAO-VQTJNVASSA-N 1 0 369.509 3.028 50 0 FGAARO COc1ccccc1C[NH+]1CCC(c2cc(N3CCCC3)ncn2)CC1 ZINC000072447833 494176388 /nfs/dbraw/zinc/17/63/88/494176388.db2.gz WPDDKPUCFIDACB-UHFFFAOYSA-N 1 0 352.482 3.465 50 0 FGAARO C[N@H+](Cc1cnc(NC[C@@H]2CCCO2)nc1)Cc1cccc2cnccc21 ZINC000072454376 494177553 /nfs/dbraw/zinc/17/75/53/494177553.db2.gz UMMBEMKLLNCWBV-IBGZPJMESA-N 1 0 363.465 3.248 50 0 FGAARO CCn1nc(C)c(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1C ZINC000072479440 494182962 /nfs/dbraw/zinc/18/29/62/494182962.db2.gz XTONPQHQIHXISA-NRFANRHFSA-N 1 0 352.526 3.195 50 0 FGAARO CC(C)c1cc(C(=O)N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)on1 ZINC000011662551 494184977 /nfs/dbraw/zinc/18/49/77/494184977.db2.gz NIYLIMVPYXUMBS-KRWDZBQOSA-N 1 0 353.466 3.160 50 0 FGAARO CCN(Cc1ncc[nH]1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011664073 494185221 /nfs/dbraw/zinc/18/52/21/494185221.db2.gz DEKXUXIFEDQNJB-LJQANCHMSA-N 1 0 356.514 3.195 50 0 FGAARO O=C(C[C@H](c1ccccc1)c1ccc2c(c1)OCO2)NCC[NH+]1CCCC1 ZINC000011753985 494190352 /nfs/dbraw/zinc/19/03/52/494190352.db2.gz OLMTXHLAGQTKHX-LJQANCHMSA-N 1 0 366.461 3.149 50 0 FGAARO O=C(c1cc[n+]([O-])cc1)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000011842858 494193808 /nfs/dbraw/zinc/19/38/08/494193808.db2.gz IBIHVJBYWHVRBZ-QFIPXVFZSA-N 1 0 371.525 3.219 50 0 FGAARO Cn1c(SC[C@@H]2CCCO2)nnc1C1CC[NH+](Cc2ccco2)CC1 ZINC000012029009 494200098 /nfs/dbraw/zinc/20/00/98/494200098.db2.gz BHFGGXNQHALCCU-INIZCTEOSA-N 1 0 362.499 3.059 50 0 FGAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 ZINC000012167952 494210128 /nfs/dbraw/zinc/21/01/28/494210128.db2.gz HIOPHGUVJBYWMS-MRXNPFEDSA-N 1 0 359.518 3.190 50 0 FGAARO CCCC[C@H]1C[N@H+](CCC(=O)NCC2CCOCC2)Cc2ccccc2O1 ZINC000012206981 494214127 /nfs/dbraw/zinc/21/41/27/494214127.db2.gz VDKOZPBIBITTBW-FQEVSTJZSA-N 1 0 374.525 3.373 50 0 FGAARO C[N@@H+]1CCC[C@H](C(=O)NCc2cccnc2Oc2ccc(F)cc2F)C1 ZINC000012299401 494220172 /nfs/dbraw/zinc/22/01/72/494220172.db2.gz SERXKQVFSFQKPL-AWEZNQCLSA-N 1 0 361.392 3.110 50 0 FGAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2cccnc2)CC1 ZINC000012319103 494222608 /nfs/dbraw/zinc/22/26/08/494222608.db2.gz FBMNOWAAYQYJRF-UHFFFAOYSA-N 1 0 368.477 3.478 50 0 FGAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](C/C=C/c2ccc(OC)cc2)C1 ZINC000012386324 494229172 /nfs/dbraw/zinc/22/91/72/494229172.db2.gz DNJBOBRQTFTIJM-XYASWCNUSA-N 1 0 361.482 3.390 50 0 FGAARO CCNC(=O)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012385732 494229190 /nfs/dbraw/zinc/22/91/90/494229190.db2.gz HZEXMCJLOZWDQR-HNNXBMFYSA-N 1 0 351.441 3.228 50 0 FGAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cn(C)c2ccccc12 ZINC000012556287 494240989 /nfs/dbraw/zinc/24/09/89/494240989.db2.gz LIPHANDJNXPTQK-UHFFFAOYSA-N 1 0 362.477 3.491 50 0 FGAARO Cc1cc2c(cc1C[NH+]1CCC(n3cc(CC(C)C)nn3)CC1)OCO2 ZINC000055225539 494316422 /nfs/dbraw/zinc/31/64/22/494316422.db2.gz KUVRPAYDZQSJJU-UHFFFAOYSA-N 1 0 356.470 3.351 50 0 FGAARO O=C(CCCCc1ccccc1)N1CCC[C@H]([NH+]2CCC(CO)CC2)C1 ZINC000014950674 494330520 /nfs/dbraw/zinc/33/05/20/494330520.db2.gz YOQHOVGFWQIQKM-NRFANRHFSA-N 1 0 358.526 3.095 50 0 FGAARO CCOc1cc2c(cc1NC(=O)C1CC[NH+](CC3CC3)CC1)O[C@@H](C)C2 ZINC000079110304 494404643 /nfs/dbraw/zinc/40/46/43/494404643.db2.gz SGHCTKONNKESJZ-AWEZNQCLSA-N 1 0 358.482 3.469 50 0 FGAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000089949296 494409644 /nfs/dbraw/zinc/40/96/44/494409644.db2.gz LPJDRRGIJACWBM-IAGOWNOFSA-N 1 0 355.442 3.136 50 0 FGAARO COc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000017911396 494419645 /nfs/dbraw/zinc/41/96/45/494419645.db2.gz AQFYHBQYPVAGQX-HXUWFJFHSA-N 1 0 372.440 3.166 50 0 FGAARO Cc1ccc(C[N@@H+]2CCN(Cc3c(F)cccc3F)C[C@@H]2CCO)cc1 ZINC000022919824 494542580 /nfs/dbraw/zinc/54/25/80/494542580.db2.gz YIGBEQHIYZBDSO-SFHVURJKSA-N 1 0 360.448 3.342 50 0 FGAARO O=S(=O)(NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1F ZINC000023127707 494551325 /nfs/dbraw/zinc/55/13/25/494551325.db2.gz JUCUDKDZQMSTTP-UHFFFAOYSA-N 1 0 368.499 3.078 50 0 FGAARO CCc1noc(CCNC(=O)c2ccc([C@H]3CCC[N@@H+]3C(C)C)s2)n1 ZINC000023479045 494568530 /nfs/dbraw/zinc/56/85/30/494568530.db2.gz QVRPMNKCMLZJSK-CYBMUJFWSA-N 1 0 362.499 3.211 50 0 FGAARO Cc1ccncc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091304512 494579910 /nfs/dbraw/zinc/57/99/10/494579910.db2.gz DUDYRUFDRARHGP-FXAWDEMLSA-N 1 0 361.489 3.094 50 0 FGAARO CCN1CCc2nc[nH]c2C12CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000091452304 494600731 /nfs/dbraw/zinc/60/07/31/494600731.db2.gz RJCOSNFGZJGCSU-ONEGZZNKSA-N 1 0 354.473 3.431 50 0 FGAARO OC[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1C[NH+]1CCCCC1 ZINC000091476784 494607427 /nfs/dbraw/zinc/60/74/27/494607427.db2.gz GJFLDXRJNYXIKQ-IAGOWNOFSA-N 1 0 356.432 3.232 50 0 FGAARO COc1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2c(C)noc2C)C3)c1 ZINC000091536167 494613565 /nfs/dbraw/zinc/61/35/65/494613565.db2.gz KMQLHRGDFJMVRT-FUHWJXTLSA-N 1 0 369.465 3.037 50 0 FGAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](CCC(=O)NCc2cccs2)C1 ZINC000091548575 494614013 /nfs/dbraw/zinc/61/40/13/494614013.db2.gz PRCZHKILWAKIIR-IBGZPJMESA-N 1 0 350.528 3.185 50 0 FGAARO O=C(c1ccccc1N1CCCC1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091808216 494686546 /nfs/dbraw/zinc/68/65/46/494686546.db2.gz CVCUWVOFMOVCHK-RTBURBONSA-N 1 0 353.510 3.233 50 0 FGAARO NC(=O)C1CCN(c2ncccc2C[NH2+]CC2CCCCCCC2)CC1 ZINC000075093197 494687558 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3.029 50 0 FGAARO Cc1cc(NC(=O)C2CC[NH+](Cc3cccc4cccnc43)CC2)no1 ZINC000025437951 494741507 /nfs/dbraw/zinc/74/15/07/494741507.db2.gz FEPMILNXHQLSEG-UHFFFAOYSA-N 1 0 350.422 3.382 50 0 FGAARO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)CCOc2cc(C)cc(C)c2)c1 ZINC000025699682 494770710 /nfs/dbraw/zinc/77/07/10/494770710.db2.gz GRZUBGLSKAQJCQ-HXUWFJFHSA-N 1 0 371.477 3.257 50 0 FGAARO O[C@@H](C[NH2+]Cc1ccccc1I)c1ccccc1 ZINC000025701977 494770768 /nfs/dbraw/zinc/77/07/68/494770768.db2.gz QQEGMLAOORCPOC-HNNXBMFYSA-N 1 0 353.203 3.114 50 0 FGAARO CCn1nc(CC(C)C)cc1C(=O)NC[C@H](c1ccccc1C)[NH+](C)C ZINC000092096910 494787385 /nfs/dbraw/zinc/78/73/85/494787385.db2.gz PGLLINUZJNJPCU-HXUWFJFHSA-N 1 0 356.514 3.443 50 0 FGAARO CC[N@@H+]1CCC[C@](C)(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000095360445 494963194 /nfs/dbraw/zinc/96/31/94/494963194.db2.gz WPSMNQBHYFSVJK-IBGZPJMESA-N 1 0 364.917 3.272 50 0 FGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccn(C(C)(C)C)c2)C1 ZINC000095374127 494967830 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CC(=O)N1CCC([NH2+][C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)CC1 ZINC000012575327 220009452 /nfs/dbraw/zinc/00/94/52/220009452.db2.gz ZEMIBTIEPWTTEB-OAQYLSRUSA-N 1 0 366.509 3.467 50 0 FGAARO COc1ccc(OC[C@H](O)C[NH2+]CCCOC(C)C)c(C(C)(C)C)c1 ZINC000012994497 220050694 /nfs/dbraw/zinc/05/06/94/220050694.db2.gz JVVOCQARBKPLPV-MRXNPFEDSA-N 1 0 353.503 3.137 50 0 FGAARO COc1ccccc1[C@@H](CNC(=O)COc1ccccc1C)[NH+]1CCCC1 ZINC000013013913 220054438 /nfs/dbraw/zinc/05/44/38/220054438.db2.gz AJXGDVPVQVLAMP-LJQANCHMSA-N 1 0 368.477 3.336 50 0 FGAARO Cc1ccc(C)c(NC(=O)CN(C)[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000013129203 220058510 /nfs/dbraw/zinc/05/85/10/220058510.db2.gz XGXAZAXJBXUDEL-XYJFISCASA-N 1 0 359.514 3.067 50 0 FGAARO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(SC)cc1 ZINC000013669394 220081873 /nfs/dbraw/zinc/08/18/73/220081873.db2.gz VCPYKOREBYZXNO-OAHLLOKOSA-N 1 0 356.557 3.341 50 0 FGAARO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000014157606 220110591 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COc1ccc2[nH]c(CN3CC[N@H+](C4CCCC4)[C@@H](CCO)C3)c(C)c2c1 ZINC000019760002 220294801 /nfs/dbraw/zinc/29/48/01/220294801.db2.gz FPCBCIMQNWXGRZ-SFHVURJKSA-N 1 0 371.525 3.296 50 0 FGAARO COc1ccc(CCC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000019934122 220306526 /nfs/dbraw/zinc/30/65/26/220306526.db2.gz VXBQEIDETSKXPR-CALCHBBNSA-N 1 0 362.514 3.121 50 0 FGAARO CCCOc1cc(Br)c(CNCC[NH+](C)C)cc1OCC ZINC000020388686 220325799 /nfs/dbraw/zinc/32/57/99/220325799.db2.gz ACYOXWQAVGATBN-UHFFFAOYSA-N 1 0 359.308 3.288 50 0 FGAARO O=C(c1nc2sccn2c1C[NH2+][C@H]1CCc2ccccc21)N1CCCC1 ZINC000020598413 220335274 /nfs/dbraw/zinc/33/52/74/220335274.db2.gz ZYAZQMASJLGRRC-INIZCTEOSA-N 1 0 366.490 3.409 50 0 FGAARO Cc1c(Cl)cccc1NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000020532058 220330832 /nfs/dbraw/zinc/33/08/32/220330832.db2.gz GAACNBLTHMUIHG-UHFFFAOYSA-N 1 0 351.878 3.225 50 0 FGAARO CCCOc1ccc(C[NH2+]CCCN2CCOCC2)cc1Br ZINC000020967470 220346457 /nfs/dbraw/zinc/34/64/57/220346457.db2.gz 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221009157 /nfs/dbraw/zinc/00/91/57/221009157.db2.gz BEKZHSSDQDQHLQ-UHFFFAOYSA-N 1 0 371.506 3.017 50 0 FGAARO CC(C)(CNC(=O)c1cccc(Nc2ncccn2)c1)[NH+]1CCCCC1 ZINC000048356587 221010026 /nfs/dbraw/zinc/01/00/26/221010026.db2.gz JKPBKGCCDHSKLK-UHFFFAOYSA-N 1 0 353.470 3.215 50 0 FGAARO Cc1ccc(F)c(S(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000048354028 221010291 /nfs/dbraw/zinc/01/02/91/221010291.db2.gz CYEXYUNCBSOSBT-UHFFFAOYSA-N 1 0 368.518 3.411 50 0 FGAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000051180549 221034868 /nfs/dbraw/zinc/03/48/68/221034868.db2.gz BJDJLPNRWUVXCR-UGKGYDQZSA-N 1 0 363.505 3.466 50 0 FGAARO C[C@@H](C1CC1)[N@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)Cc1ccccc1 ZINC000052617943 221038751 /nfs/dbraw/zinc/03/87/51/221038751.db2.gz WAEGRAYXXCQOLU-HNNXBMFYSA-N 1 0 362.495 3.331 50 0 FGAARO Cc1c(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000055100396 221058042 /nfs/dbraw/zinc/05/80/42/221058042.db2.gz UFSSBSBQFVBJSV-INIZCTEOSA-N 1 0 363.461 3.268 50 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CCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000058166277 221101739 /nfs/dbraw/zinc/10/17/39/221101739.db2.gz BSHUTRXVVAOAEF-HXUWFJFHSA-N 1 0 372.509 3.019 50 0 FGAARO O=C(NCc1noc(-c2ccsc2)n1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058213121 221106907 /nfs/dbraw/zinc/10/69/07/221106907.db2.gz HOEIQOVSEXSYDG-INIZCTEOSA-N 1 0 368.462 3.079 50 0 FGAARO CC(=O)c1ccc(NC(=O)CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057435039 221089108 /nfs/dbraw/zinc/08/91/08/221089108.db2.gz LDEOLGPRMOSZLM-UHFFFAOYSA-N 1 0 365.477 3.082 50 0 FGAARO CCn1cc(Br)cc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000058228106 221110437 /nfs/dbraw/zinc/11/04/37/221110437.db2.gz HPAOMJKIZJEOMQ-STQMWFEESA-N 1 0 356.308 3.121 50 0 FGAARO Fc1cc(C[NH2+]C[C@@H]2CNc3ccnn3C2)ccc1Oc1cccnc1 ZINC000058298031 221113751 /nfs/dbraw/zinc/11/37/51/221113751.db2.gz JMJFTEOCHKMCGY-OAHLLOKOSA-N 1 0 353.401 3.041 50 0 FGAARO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cccc2c1CCCC2 ZINC000058433991 221119817 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CC[C@H]1c2cccn2CC[N@H+]1Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000065374933 221206799 /nfs/dbraw/zinc/20/67/99/221206799.db2.gz UXDRXJRXSVQNKX-IBGZPJMESA-N 1 0 350.466 3.253 50 0 FGAARO Cc1ccsc1[C@@H](CNC(=O)CC(=O)Nc1cc(C)ccc1C)[NH+](C)C ZINC000065394763 221209758 /nfs/dbraw/zinc/20/97/58/221209758.db2.gz IFVQIZPCDAHKIT-QGZVFWFLSA-N 1 0 373.522 3.421 50 0 FGAARO C[NH+](C)CCn1nnc2cc(C(=O)Nc3ccc(F)cc3Cl)ccc21 ZINC000065255152 221189130 /nfs/dbraw/zinc/18/91/30/221189130.db2.gz CGMWHDZRPCAWSK-UHFFFAOYSA-N 1 0 361.808 3.038 50 0 FGAARO COc1ccc(OCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000067613555 221262092 /nfs/dbraw/zinc/26/20/92/221262092.db2.gz YUYHWZFEKUYQHS-UHFFFAOYSA-N 1 0 370.449 3.186 50 0 FGAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067739423 221278845 /nfs/dbraw/zinc/27/88/45/221278845.db2.gz IMTBUZQJRZNLQE-APWZRJJASA-N 1 0 364.493 3.267 50 0 FGAARO Cc1c2ccccc2sc1C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067674973 221269080 /nfs/dbraw/zinc/26/90/80/221269080.db2.gz IBIAELALTNXAML-UHFFFAOYSA-N 1 0 357.523 3.062 50 0 FGAARO COCC[N@@H+]1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2cc(C)[nH]n2)C1 ZINC000067694684 221273226 /nfs/dbraw/zinc/27/32/26/221273226.db2.gz LAKXRHIJRSPPAT-KRWDZBQOSA-N 1 0 365.481 3.217 50 0 FGAARO CNc1nc(NCc2cccnc2N2CCc3ccccc3C2)cc(C)[nH+]1 ZINC000067841932 221292127 /nfs/dbraw/zinc/29/21/27/221292127.db2.gz JYSDJUOKFAFBDE-UHFFFAOYSA-N 1 0 360.465 3.397 50 0 FGAARO CNC(=O)[C@H]1CC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000067847094 221293669 /nfs/dbraw/zinc/29/36/69/221293669.db2.gz PIVOKVWPOJMQFX-ZDUSSCGKSA-N 1 0 367.371 3.237 50 0 FGAARO Cc1cc(=O)[nH]c(C)c1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000067909441 221303985 /nfs/dbraw/zinc/30/39/85/221303985.db2.gz MIWCBOWFTRFPBA-CQSZACIVSA-N 1 0 353.466 3.476 50 0 FGAARO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)n1 ZINC000067934371 221307233 /nfs/dbraw/zinc/30/72/33/221307233.db2.gz CYCZSHZNLSEPBN-OAHLLOKOSA-N 1 0 352.438 3.414 50 0 FGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000067947918 221308487 /nfs/dbraw/zinc/30/84/87/221308487.db2.gz NBCMLSDPEZRGKT-SFHVURJKSA-N 1 0 364.449 3.171 50 0 FGAARO Nc1nc(Sc2cccs2)cc(-c2cccc3c2O[C@@H](C[NH3+])C3)n1 ZINC000067956502 221309594 /nfs/dbraw/zinc/30/95/94/221309594.db2.gz KILTZCRHZWTCHP-LLVKDONJSA-N 1 0 356.476 3.201 50 0 FGAARO CCC[C@@H](Nc1nc(-c2ccccc2)nc2c1CC[NH2+]C2)c1nccn1C ZINC000067967478 221310713 /nfs/dbraw/zinc/31/07/13/221310713.db2.gz QYQJFPLFRDGTTO-QGZVFWFLSA-N 1 0 362.481 3.476 50 0 FGAARO C[C@H]([NH3+])C(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067973889 221311001 /nfs/dbraw/zinc/31/10/01/221311001.db2.gz HJNKHEHJVISUHX-HNNXBMFYSA-N 1 0 361.445 3.087 50 0 FGAARO COc1ccc(-c2nc(C[NH+]3CCC(CO)CC3)c(C)o2)c(OC)c1C ZINC000067983230 221313162 /nfs/dbraw/zinc/31/31/62/221313162.db2.gz RCQJVNBLPGSPGZ-UHFFFAOYSA-N 1 0 360.454 3.180 50 0 FGAARO COCc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)o1 ZINC000071404054 221345021 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3.437 50 0 FGAARO O=C(c1csc(Cc2ccccc2)n1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000071768090 221373201 /nfs/dbraw/zinc/37/32/01/221373201.db2.gz SGDCSQFVQGGKTL-UHFFFAOYSA-N 1 0 355.507 3.340 50 0 FGAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc4ccc(C)cc4[nH]c3=O)[C@H]2C1 ZINC000299794070 533261068 /nfs/dbraw/zinc/26/10/68/533261068.db2.gz KWMJETJVJJYPCG-HFSMHLIXSA-N 1 0 356.466 3.407 50 0 FGAARO COc1cccc(-c2cccc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3OC)c2)c1 ZINC000299788006 533371132 /nfs/dbraw/zinc/37/11/32/533371132.db2.gz ZTJRWHZBTIGZHR-SFTDATJTSA-N 1 0 368.477 3.200 50 0 FGAARO COCCN1C[C@@]2(CCCN(c3cc[nH+]c4ccc(C)cc43)C2)CCC1=O ZINC000077427957 132184651 /nfs/dbraw/zinc/18/46/51/132184651.db2.gz GNZVTQDNSIXQSH-QFIPXVFZSA-N 1 0 367.493 3.399 50 0 FGAARO Cc1cc(N2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c2ccccc2[nH+]1 ZINC000082099145 132194686 /nfs/dbraw/zinc/19/46/86/132194686.db2.gz FJUKEWIHEFFAGH-JOCHJYFZSA-N 1 0 367.493 3.135 50 0 FGAARO FC(F)(F)c1cnc(N2CC[NH+](CCCn3ccnc3)CC2)c(Cl)c1 ZINC000095462335 132211170 /nfs/dbraw/zinc/21/11/70/132211170.db2.gz KLHILGAKWIEUTR-UHFFFAOYSA-N 1 0 373.810 3.163 50 0 FGAARO Cc1ccccc1-c1ncc(CN2CCN(c3cc[nH+]cc3C)CC2)cn1 ZINC000097743146 132230975 /nfs/dbraw/zinc/23/09/75/132230975.db2.gz WMKXENJEJGJINE-UHFFFAOYSA-N 1 0 359.477 3.478 50 0 FGAARO Cc1cccc(N2CCC(Nc3cc([C@H]4C[C@H]([NH3+])C4)nc(C)n3)CC2)c1 ZINC000219156322 132273885 /nfs/dbraw/zinc/27/38/85/132273885.db2.gz KBQADXNITIXHBN-CALCHBBNSA-N 1 0 351.498 3.379 50 0 FGAARO O=C1OCc2ccc(C[NH+]3CCN(c4ccccn4)CC3)c3cccc1c23 ZINC000244882824 132291715 /nfs/dbraw/zinc/29/17/15/132291715.db2.gz XZRGJNZBYBLUKJ-UHFFFAOYSA-N 1 0 359.429 3.227 50 0 FGAARO Fc1ccccc1N1CCN(Cc2ccc(OC3CC[NH2+]CC3)cc2)CC1 ZINC000299761647 132298411 /nfs/dbraw/zinc/29/84/11/132298411.db2.gz YQIWKHKGLMOVGJ-UHFFFAOYSA-N 1 0 369.484 3.279 50 0 FGAARO FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000014975850 132375186 /nfs/dbraw/zinc/37/51/86/132375186.db2.gz GZOPMTDQTCQXNO-CQSZACIVSA-N 1 0 352.360 3.134 50 0 FGAARO COc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(C)cc2)CC1 ZINC000000895211 132379089 /nfs/dbraw/zinc/37/90/89/132379089.db2.gz XEPPXAANOANJKW-UHFFFAOYSA-N 1 0 353.466 3.154 50 0 FGAARO Nc1nc(N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cc[nH+]1 ZINC000071780038 136141181 /nfs/dbraw/zinc/14/11/81/136141181.db2.gz PDMVZSSNSSHCDH-LBPRGKRZSA-N 1 0 350.344 3.177 50 0 FGAARO CN(c1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C)C2)C1CCCCC1 ZINC000091849092 221804522 /nfs/dbraw/zinc/80/45/22/221804522.db2.gz TYSZFSRUNNOZOX-FUHWJXTLSA-N 1 0 356.514 3.017 50 0 FGAARO Cc1cccn2c(=O)cc(C[NH+]3CCC(c4nccn4C(C)C)CC3)nc12 ZINC000091893960 221811203 /nfs/dbraw/zinc/81/12/03/221811203.db2.gz DBLKFTKWHINGPT-UHFFFAOYSA-N 1 0 365.481 3.160 50 0 FGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Nc2ncccn2)cc1 ZINC000096114143 222030950 /nfs/dbraw/zinc/03/09/50/222030950.db2.gz TVEXUVNFDHYFOY-PKOBYXMFSA-N 1 0 365.481 3.215 50 0 FGAARO COC(=O)c1cc(NC(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)ccc1Cl ZINC000096140325 222044530 /nfs/dbraw/zinc/04/45/30/222044530.db2.gz PDNOITCHFCYRMF-LBPRGKRZSA-N 1 0 365.861 3.217 50 0 FGAARO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000096139667 222044940 /nfs/dbraw/zinc/04/49/40/222044940.db2.gz HFOQVQXPORPPEK-UHFFFAOYSA-N 1 0 357.429 3.071 50 0 FGAARO O=C(Nc1ccc(-c2ccco2)cc1)N1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000096150380 222051453 /nfs/dbraw/zinc/05/14/53/222051453.db2.gz BVRPVIUMJBHQFS-OALUTQOASA-N 1 0 369.465 3.400 50 0 FGAARO COc1ccc(Cc2nc(C[C@H](C)[NH+](C)C)n(C(C)(C)C)n2)cc1OC ZINC000096163639 222063706 /nfs/dbraw/zinc/06/37/06/222063706.db2.gz YKAKTZGKRXEXIG-AWEZNQCLSA-N 1 0 360.502 3.134 50 0 FGAARO Cc1ccccc1C[NH+]1CCC(c2nnc(CN3CCCCC3)n2C)CC1 ZINC000096165712 222064554 /nfs/dbraw/zinc/06/45/54/222064554.db2.gz XERRTUIMUUDLNA-UHFFFAOYSA-N 1 0 367.541 3.489 50 0 FGAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1 ZINC000096164668 222064862 /nfs/dbraw/zinc/06/48/62/222064862.db2.gz NHHUYQKUCRTNOF-SFHVURJKSA-N 1 0 374.435 3.114 50 0 FGAARO Cc1ccc(Cl)c(NC(=O)N2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)c1 ZINC000096165939 222066379 /nfs/dbraw/zinc/06/63/79/222066379.db2.gz UDJPYPLLGQMXLG-HNNXBMFYSA-N 1 0 353.894 3.205 50 0 FGAARO OCC[NH2+]CCNCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000096318719 222115372 /nfs/dbraw/zinc/11/53/72/222115372.db2.gz RHIGJUSYCBQIMN-UHFFFAOYSA-N 1 0 368.452 3.229 50 0 FGAARO C/C=C\c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(OC)cc2)c(OC)c1 ZINC000096635243 222126091 /nfs/dbraw/zinc/12/60/91/222126091.db2.gz XOJDXAJREZUREF-PYTPGESOSA-N 1 0 357.450 3.266 50 0 FGAARO O=C(/C=C\c1ccc2c(c1)OCO2)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000096926288 222141365 /nfs/dbraw/zinc/14/13/65/222141365.db2.gz XGGIATAKQZQSOB-ZMOVQZPESA-N 1 0 364.445 3.382 50 0 FGAARO Cc1cc(Cl)ccc1NC(=O)N1CCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000097117180 222161981 /nfs/dbraw/zinc/16/19/81/222161981.db2.gz MMRYJTFZUNOWAZ-INIZCTEOSA-N 1 0 364.921 3.140 50 0 FGAARO COc1ccc(C[NH+]2CCC(c3ccncn3)CC2)cc1Cn1cccn1 ZINC000097334278 222175622 /nfs/dbraw/zinc/17/56/22/222175622.db2.gz PNICQNXVAGHNQU-UHFFFAOYSA-N 1 0 363.465 3.110 50 0 FGAARO Cc1ccccc1-c1ncc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cn1 ZINC000097468111 222183438 /nfs/dbraw/zinc/18/34/38/222183438.db2.gz LDIZCJTWMJLXKN-HXUWFJFHSA-N 1 0 366.509 3.139 50 0 FGAARO CCOCc1cc(C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)CC2)ccc1OC ZINC000097674232 222204324 /nfs/dbraw/zinc/20/43/24/222204324.db2.gz UKHNZWGAMFCVLF-FQEVSTJZSA-N 1 0 362.470 3.038 50 0 FGAARO CC1(C(=O)NC[C@@H](O)c2cccc(Oc3ccccc3)c2)CC[NH2+]CC1 ZINC000097675537 222204689 /nfs/dbraw/zinc/20/46/89/222204689.db2.gz WRXPYWBXORUGDH-LJQANCHMSA-N 1 0 354.450 3.018 50 0 FGAARO O=C(C1CCC1)N1CCC2(CC[NH+](Cc3ccccc3F)CC2)[C@H](CO)C1 ZINC000097742974 222208623 /nfs/dbraw/zinc/20/86/23/222208623.db2.gz PTFZUGOLKGPPND-IBGZPJMESA-N 1 0 374.500 3.049 50 0 FGAARO C[C@@H](C(=O)N1CCn2nc(Cc3ccccc3)cc2C1)[NH+]1CCCCCC1 ZINC000097732547 222209330 /nfs/dbraw/zinc/20/93/30/222209330.db2.gz RVEUTSPWRDEJAV-SFHVURJKSA-N 1 0 366.509 3.081 50 0 FGAARO COc1ccccc1CN(Cc1ccncc1)C(=O)C[C@@H]1CCCC[N@@H+]1C ZINC000097745094 222209916 /nfs/dbraw/zinc/20/99/16/222209916.db2.gz VEMGCGLJFUHVHZ-FQEVSTJZSA-N 1 0 367.493 3.493 50 0 FGAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N(Cc1cocn1)Cc1cocn1 ZINC000097805765 222213970 /nfs/dbraw/zinc/21/39/70/222213970.db2.gz IXKGXCHGSQOABO-UHFFFAOYSA-N 1 0 366.421 3.101 50 0 FGAARO C[C@@H](NC(=O)CN1CCN(C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000103340367 222333971 /nfs/dbraw/zinc/33/39/71/222333971.db2.gz BLWDQZBEBADMCN-NHHWLVAYSA-N 1 0 363.505 3.195 50 0 FGAARO Cc1ccccc1CN1CC[N@H+](CCCc2ccccc2)C[C@H]1CCO ZINC000104466975 222357584 /nfs/dbraw/zinc/35/75/84/222357584.db2.gz OOCMFKJMLWWWEZ-HSZRJFAPSA-N 1 0 352.522 3.496 50 0 FGAARO COc1ccc(CN2CCN(Cc3ccccc3F)C[C@H]2CCO)cc1C ZINC000104460623 222358481 /nfs/dbraw/zinc/35/84/81/222358481.db2.gz UBMJXPZONQDAEP-HXUWFJFHSA-N 1 0 372.484 3.212 50 0 FGAARO CC(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000010300638 263364360 /nfs/dbraw/zinc/36/43/60/263364360.db2.gz AZHIGINPOOFFDK-UHFFFAOYSA-N 1 0 357.479 3.232 50 0 FGAARO CC(C)=CC[NH+]1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCSCC1)[C@@H]2O ZINC000020450021 263380684 /nfs/dbraw/zinc/38/06/84/263380684.db2.gz PONCXYBBYQSZQV-RTWAWAEBSA-N 1 0 372.578 3.451 50 0 FGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCOCC1 ZINC000263586185 263464765 /nfs/dbraw/zinc/46/47/65/263464765.db2.gz RAGTWZSJFJRYFW-VQTJNVASSA-N 1 0 373.541 3.107 50 0 FGAARO Cc1nc(C)c(CNC(=O)c2ccc(OCCC[NH3+])c(Cl)c2)s1 ZINC000426402045 263577965 /nfs/dbraw/zinc/57/79/65/263577965.db2.gz RUAWMOOYNCTLPS-UHFFFAOYSA-N 1 0 353.875 3.071 50 0 FGAARO Cc1noc(C)c1CN(C)C(=O)NC[C@H](c1ccccc1F)[NH+]1CCCC1 ZINC000426549049 263631335 /nfs/dbraw/zinc/63/13/35/263631335.db2.gz DAZPAQOFNGCZIJ-LJQANCHMSA-N 1 0 374.460 3.409 50 0 FGAARO CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C[NH+]2CCCC2)cn1 ZINC000426634295 263647661 /nfs/dbraw/zinc/64/76/61/263647661.db2.gz ONNZSALLSNVLFN-UHFFFAOYSA-N 1 0 373.522 3.421 50 0 FGAARO COc1ccc(CN2CCC[N@H+](C[C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000028263239 493783116 /nfs/dbraw/zinc/78/31/16/493783116.db2.gz HTLHRVFLUWTVTG-OAQYLSRUSA-N 1 0 358.457 3.076 50 0 FGAARO OCC[NH2+]CCNCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428320 493791066 /nfs/dbraw/zinc/79/10/66/493791066.db2.gz RPPIPKKMWZCUKL-UHFFFAOYSA-N 1 0 357.885 3.015 50 0 FGAARO COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1)CC3 ZINC000002129581 493801002 /nfs/dbraw/zinc/80/10/02/493801002.db2.gz BHWBAGYYZDYIQQ-GJZGRUSLSA-N 1 0 355.482 3.039 50 0 FGAARO S=C(NCCc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000002777691 493819358 /nfs/dbraw/zinc/81/93/58/493819358.db2.gz MLNCBJJFKBNCLC-UHFFFAOYSA-N 1 0 353.535 3.358 50 0 FGAARO CC(C)(C)C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000029155340 493820922 /nfs/dbraw/zinc/82/09/22/493820922.db2.gz CVYIGSSLMQASLR-UHFFFAOYSA-N 1 0 371.447 3.380 50 0 FGAARO COCCN(C(=S)Nc1cccc(F)c1)C1CC[NH+](C(C)C)CC1 ZINC000002933471 493825716 /nfs/dbraw/zinc/82/57/16/493825716.db2.gz HGMSLKZFODUNHD-UHFFFAOYSA-N 1 0 353.507 3.344 50 0 FGAARO COc1ccc(-c2cc(C3CC[NH+](C[C@@H](O)C(F)(F)F)CC3)[nH]n2)cc1 ZINC000004025219 493861409 /nfs/dbraw/zinc/86/14/09/493861409.db2.gz ZTAUBGGJLHMORZ-QGZVFWFLSA-N 1 0 369.387 3.188 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)CC1 ZINC000004736818 493890017 /nfs/dbraw/zinc/89/00/17/493890017.db2.gz CQCDBPUVYLHNSG-UHFFFAOYSA-N 1 0 367.493 3.463 50 0 FGAARO CCCC[N@H+](C)CCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1 ZINC000004908490 493899856 /nfs/dbraw/zinc/89/98/56/493899856.db2.gz FXHPBEGEWDICIB-UHFFFAOYSA-N 1 0 355.438 3.451 50 0 FGAARO COc1cccc([C@@H](CNC(=O)N2CCc3ccc(F)cc32)[NH+](C)C)c1 ZINC000060216960 493919653 /nfs/dbraw/zinc/91/96/53/493919653.db2.gz ROTHJFZYKWKRKS-LJQANCHMSA-N 1 0 357.429 3.209 50 0 FGAARO CC1=C(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C2(CCCCC2)OC1=O ZINC000006772427 493979141 /nfs/dbraw/zinc/97/91/41/493979141.db2.gz XWBAJUOGHZFWSK-HOTGVXAUSA-N 1 0 362.514 3.047 50 0 FGAARO Cn1cnnc1CC1CC[NH+](CC2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000082120621 493980074 /nfs/dbraw/zinc/98/00/74/493980074.db2.gz QRUYPBMJLNWNAM-UHFFFAOYSA-N 1 0 358.873 3.199 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1cccc(OC(F)F)c1)c1cccc(F)c1 ZINC000032721281 494008206 /nfs/dbraw/zinc/00/82/06/494008206.db2.gz YSXSULASHCNABH-MRXNPFEDSA-N 1 0 352.356 3.460 50 0 FGAARO CC(C)[C@H](CNc1ncc(C(F)(F)F)cc1Cl)N1CC[NH+](C)CC1 ZINC000032760676 494013497 /nfs/dbraw/zinc/01/34/97/494013497.db2.gz JRCLIDHBJWHGAL-AWEZNQCLSA-N 1 0 364.843 3.438 50 0 FGAARO Cc1ccn2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)nc2c1 ZINC000032762031 494013661 /nfs/dbraw/zinc/01/36/61/494013661.db2.gz KOVQRMXBWCXBMG-MRXNPFEDSA-N 1 0 354.479 3.271 50 0 FGAARO CN(CCCC(=O)N(CC[NH+](C)C)c1ccccc1)C(=O)OC(C)(C)C ZINC000069980025 494034178 /nfs/dbraw/zinc/03/41/78/494034178.db2.gz AVALBMSHFMGCSM-UHFFFAOYSA-N 1 0 363.502 3.228 50 0 FGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2noc3c2COc2ccccc2-3)C1 ZINC000033028804 494037097 /nfs/dbraw/zinc/03/70/97/494037097.db2.gz RUWSIDPBZXYLRY-GASCZTMLSA-N 1 0 369.465 3.332 50 0 FGAARO CC[C@@H]1CN(CC(=O)NCC[NH+]2CCCCCC2)c2ccccc2S1 ZINC000033059365 494040609 /nfs/dbraw/zinc/04/06/09/494040609.db2.gz LPGXCADCTCLHPX-QGZVFWFLSA-N 1 0 361.555 3.370 50 0 FGAARO Cc1ccccc1C[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000007844809 494046467 /nfs/dbraw/zinc/04/64/67/494046467.db2.gz LGWGBBXHKPWDNH-UHFFFAOYSA-N 1 0 372.266 3.397 50 0 FGAARO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)C1 ZINC000077298313 494050694 /nfs/dbraw/zinc/05/06/94/494050694.db2.gz KJWUNJGTCIFYGK-AEFFLSMTSA-N 1 0 370.472 3.439 50 0 FGAARO O=C(NCC[NH+]1CCCC1)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000033252381 494054870 /nfs/dbraw/zinc/05/48/70/494054870.db2.gz AIJDNJAUQZEYJS-UHFFFAOYSA-N 1 0 362.433 3.229 50 0 FGAARO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cc1 ZINC000077340937 494061742 /nfs/dbraw/zinc/06/17/42/494061742.db2.gz QAVNLXBGDLQGTJ-JOCHJYFZSA-N 1 0 358.526 3.181 50 0 FGAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](Cc2ccoc2)CC3)c1 ZINC000077344026 494062539 /nfs/dbraw/zinc/06/25/39/494062539.db2.gz FHVDOOABZQAQKQ-UHFFFAOYSA-N 1 0 354.450 3.303 50 0 FGAARO COc1ccc2[nH]c(C(=O)N(C)C[C@H]3Cc4ccccc4C[N@@H+]3C)cc2c1 ZINC000077353670 494065200 /nfs/dbraw/zinc/06/52/00/494065200.db2.gz VZZWUYWNGWLVBD-GOSISDBHSA-N 1 0 363.461 3.305 50 0 FGAARO O=C1CC[C@@]2(CCC[N@@H+](CCOc3ccc(F)cc3)C2)CN1CC1CC1 ZINC000077378136 494069642 /nfs/dbraw/zinc/06/96/42/494069642.db2.gz IEYJAVSCWPIDSQ-OAQYLSRUSA-N 1 0 360.473 3.319 50 0 FGAARO Cc1cc(C)c(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c(=O)[nH]1 ZINC000077391023 494074722 /nfs/dbraw/zinc/07/47/22/494074722.db2.gz DRUWWRPSFOTTIK-LJQANCHMSA-N 1 0 367.493 3.421 50 0 FGAARO CC(C)(C(=O)N1CCC([C@@H](O)CCc2ccccc2)CC1)[NH+]1CCCC1 ZINC000077390675 494074733 /nfs/dbraw/zinc/07/47/33/494074733.db2.gz SAGXEPXXXRSERO-FQEVSTJZSA-N 1 0 358.526 3.093 50 0 FGAARO O[C@@]1(C[NH+]2CCCC2)CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000077437109 494082750 /nfs/dbraw/zinc/08/27/50/494082750.db2.gz QDCBIUNUOBGBJE-HXUWFJFHSA-N 1 0 357.523 3.233 50 0 FGAARO COc1ccc([C@H](CNC(=O)Cc2c(C)noc2C)[NH+]2CCCCC2)cc1 ZINC000008328857 494085027 /nfs/dbraw/zinc/08/50/27/494085027.db2.gz AVUNOMIVRAGHDD-FQEVSTJZSA-N 1 0 371.481 3.186 50 0 FGAARO COc1cccc(C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C)c1OC ZINC000036097067 494086045 /nfs/dbraw/zinc/08/60/45/494086045.db2.gz MTBFMINLTQQTAR-GOSISDBHSA-N 1 0 353.503 3.195 50 0 FGAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2cccc(OC)c2)C2CC2)cc1 ZINC000036098417 494086720 /nfs/dbraw/zinc/08/67/20/494086720.db2.gz HIRBHRODVMGCIR-GOSISDBHSA-N 1 0 357.450 3.108 50 0 FGAARO Cc1ccccc1C[N@H+](C[C@H](O)COc1ccccc1)C[C@H]1CCCO1 ZINC000036099992 494087024 /nfs/dbraw/zinc/08/70/24/494087024.db2.gz MGYIPRROZHLWAZ-RBBKRZOGSA-N 1 0 355.478 3.416 50 0 FGAARO CC(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3nc2C)C[C@H]1c1ccc(C)cc1 ZINC000077455507 494087483 /nfs/dbraw/zinc/08/74/83/494087483.db2.gz CLHSESGHWXRHGL-WMZHIEFXSA-N 1 0 374.488 3.351 50 0 FGAARO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000036390219 494091266 /nfs/dbraw/zinc/09/12/66/494091266.db2.gz VXARYXBTQCNVKN-KDOFPFPSSA-N 1 0 361.413 3.045 50 0 FGAARO Cc1nc(N(C)C)cc(NCCNC(=O)Nc2cccc(Cl)c2C)[nH+]1 ZINC000036708087 494095707 /nfs/dbraw/zinc/09/57/07/494095707.db2.gz HZOKHPPWGHKQRE-UHFFFAOYSA-N 1 0 362.865 3.046 50 0 FGAARO COc1cccc(OCC(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)c1 ZINC000008862658 494107298 /nfs/dbraw/zinc/10/72/98/494107298.db2.gz JHIYXZRNSZKJHT-GOSISDBHSA-N 1 0 360.479 3.089 50 0 FGAARO C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000009118778 494115032 /nfs/dbraw/zinc/11/50/32/494115032.db2.gz RHXKVQUBOPVQDJ-OAHLLOKOSA-N 1 0 373.884 3.498 50 0 FGAARO COCCN1C[C@@]2(CCC[N@H+](Cc3cc4ccccc4o3)C2)CCC1=O ZINC000077564121 494116109 /nfs/dbraw/zinc/11/61/09/494116109.db2.gz ARZNFLCRFMUTIT-NRFANRHFSA-N 1 0 356.466 3.284 50 0 FGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(C)s3)C[C@H]2CCO)cc1C ZINC000039429836 494120549 /nfs/dbraw/zinc/12/05/49/494120549.db2.gz CPIYGIBKDUGXPJ-LJQANCHMSA-N 1 0 374.550 3.442 50 0 FGAARO Cc1ccc(-n2cc(CN3CC[N@H+](CC(C)(C)C)[C@H](CCO)C3)cn2)cc1 ZINC000039405522 494120741 /nfs/dbraw/zinc/12/07/41/494120741.db2.gz MSJLAEQJHAMWAV-OAQYLSRUSA-N 1 0 370.541 3.095 50 0 FGAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1 ZINC000040023377 494127307 /nfs/dbraw/zinc/12/73/07/494127307.db2.gz GSHQMDIUVYCEOY-IERDGZPVSA-N 1 0 368.477 3.373 50 0 FGAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(OC)c1 ZINC000040046939 494128179 /nfs/dbraw/zinc/12/81/79/494128179.db2.gz WAZKJGANSCOLHD-TZIWHRDSSA-N 1 0 368.477 3.198 50 0 FGAARO Cc1cc(C)n(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000040107132 494132772 /nfs/dbraw/zinc/13/27/72/494132772.db2.gz GQFUQRYWPVMELK-MRXNPFEDSA-N 1 0 354.498 3.048 50 0 FGAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)Cc1ccc(OC)cc1 ZINC000040107633 494133178 /nfs/dbraw/zinc/13/31/78/494133178.db2.gz HOZKNUNEFGZORY-UHFFFAOYSA-N 1 0 370.493 3.275 50 0 FGAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2ccc(Br)cc2F)C1 ZINC000040107601 494133220 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Fc1ccccc1CN1CCC[N@H+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000072165424 494140522 /nfs/dbraw/zinc/14/05/22/494140522.db2.gz LFPSBYBDSQEJIF-UHFFFAOYSA-N 1 0 356.441 3.305 50 0 FGAARO CCOc1cc2c(cc1C[N@@H+]1CCC[C@H](c3cc(=O)[nH]c(C)n3)C1)CCC2 ZINC000072163597 494141049 /nfs/dbraw/zinc/14/10/49/494141049.db2.gz XDAJISGEEUKCLS-SFHVURJKSA-N 1 0 367.493 3.345 50 0 FGAARO Cc1ccc(-c2nnc(CN3CCCC[C@H]3CC[NH+]3CCCC3)o2)n1C ZINC000072173806 494143093 /nfs/dbraw/zinc/14/30/93/494143093.db2.gz UALRCBZYSNWNBD-KRWDZBQOSA-N 1 0 357.502 3.224 50 0 FGAARO COC(=O)c1cc(CN2CCC[N@H+](Cc3cccc(F)c3)CC2)cs1 ZINC000072418693 494167752 /nfs/dbraw/zinc/16/77/52/494167752.db2.gz XYBGWLOPFRSMKB-UHFFFAOYSA-N 1 0 362.470 3.382 50 0 FGAARO CN1C[C@]2(CCC[N@H+](Cc3ccc(CCC(C)(C)O)cc3)CC2)OC1=O ZINC000072423090 494168761 /nfs/dbraw/zinc/16/87/61/494168761.db2.gz UBTCBITUVGPMFF-OAQYLSRUSA-N 1 0 360.498 3.197 50 0 FGAARO CCc1cc(N[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)n2nccc2n1 ZINC000072423640 494170041 /nfs/dbraw/zinc/17/00/41/494170041.db2.gz PWQBCXDLJIPVRP-KRWDZBQOSA-N 1 0 351.454 3.074 50 0 FGAARO Cc1ccc(-c2nccn2C[C@H]2CCC[N@H+](CCO)C2)c2cccnc12 ZINC000072425315 494170111 /nfs/dbraw/zinc/17/01/11/494170111.db2.gz DAEOVXMFNXMCKJ-KRWDZBQOSA-N 1 0 350.466 3.111 50 0 FGAARO CC(C)(O)CCc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000072428875 494172382 /nfs/dbraw/zinc/17/23/82/494172382.db2.gz ODILYJWVEBOFNY-VQTJNVASSA-N 1 0 358.526 3.384 50 0 FGAARO O=C(N[C@H]1CC[C@H]1[NH2+]C1CCCCCCC1)c1ccccc1-n1cncn1 ZINC000072429515 494172812 /nfs/dbraw/zinc/17/28/12/494172812.db2.gz STXHCGSPIBMEHK-MOPGFXCFSA-N 1 0 367.497 3.231 50 0 FGAARO CCCn1nccc1C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000072433304 494173440 /nfs/dbraw/zinc/17/34/40/494173440.db2.gz WRHKJXWXEGHNBA-UHFFFAOYSA-N 1 0 354.498 3.072 50 0 FGAARO COc1ccc(F)c(F)c1CN1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000072431807 494174198 /nfs/dbraw/zinc/17/41/98/494174198.db2.gz ZLXVRIFPWWTZPI-OKILXGFUSA-N 1 0 354.441 3.047 50 0 FGAARO CC(C)n1cc(C(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000072434628 494174563 /nfs/dbraw/zinc/17/45/63/494174563.db2.gz DEHXMBFYBDGFKE-UHFFFAOYSA-N 1 0 354.498 3.243 50 0 FGAARO Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000072435350 494175161 /nfs/dbraw/zinc/17/51/61/494175161.db2.gz SNKLGYQVOYQGIB-WUTDNEBXSA-N 1 0 365.525 3.304 50 0 FGAARO O=C(NC1CC1)c1ccnc(N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000072476827 494181639 /nfs/dbraw/zinc/18/16/39/494181639.db2.gz RIYQKKOCXKTZLZ-GOSISDBHSA-N 1 0 368.456 3.189 50 0 FGAARO Cc1ccc(C[N@@H+]2CCN(c3nc4ccccc4o3)C[C@@H]2CCO)cc1 ZINC000072478807 494182127 /nfs/dbraw/zinc/18/21/27/494182127.db2.gz BJFGTIRFMXQYOF-SFHVURJKSA-N 1 0 351.450 3.209 50 0 FGAARO O=C(Cc1ccc(O)c(Cl)c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000072480342 494182288 /nfs/dbraw/zinc/18/22/88/494182288.db2.gz CXFSYWZUYACQDE-UHFFFAOYSA-N 1 0 364.898 3.384 50 0 FGAARO O=C(Nc1ccccc1)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256174 494183615 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CN(Cc1csc(Br)c1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000042364119 494220112 /nfs/dbraw/zinc/22/01/12/494220112.db2.gz ICWGJSBZGGVDJN-ZDUSSCGKSA-N 1 0 353.285 3.039 50 0 FGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCc3cn[nH]c3)C2)cc1 ZINC000012298439 494220378 /nfs/dbraw/zinc/22/03/78/494220378.db2.gz OMRTVJJSEACXSJ-OAQYLSRUSA-N 1 0 368.525 3.322 50 0 FGAARO COC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC000012298840 494220404 /nfs/dbraw/zinc/22/04/04/494220404.db2.gz BOMXPMQRNUNWTJ-KRWDZBQOSA-N 1 0 372.852 3.017 50 0 FGAARO CSCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012315215 494223494 /nfs/dbraw/zinc/22/34/94/494223494.db2.gz DFXUXLAPWNTPCT-INIZCTEOSA-N 1 0 354.947 3.416 50 0 FGAARO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc32)o1 ZINC000042726521 494239630 /nfs/dbraw/zinc/23/96/30/494239630.db2.gz VFOPPMOVYVGRLL-MRXNPFEDSA-N 1 0 355.482 3.302 50 0 FGAARO Cc1ccc2nc(C)c(C(=O)N3CC[N@@H+](CC(C)C)[C@H](CCO)C3)cc2c1 ZINC000055568962 494362503 /nfs/dbraw/zinc/36/25/03/494362503.db2.gz GVLLXYSSGSAUBI-LJQANCHMSA-N 1 0 369.509 3.016 50 0 FGAARO CCc1sc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1C ZINC000079106007 494404299 /nfs/dbraw/zinc/40/42/99/494404299.db2.gz FMEPSJLAPTYWPT-INIZCTEOSA-N 1 0 350.528 3.336 50 0 FGAARO CCc1sc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1C ZINC000079106011 494404472 /nfs/dbraw/zinc/40/44/72/494404472.db2.gz FMEPSJLAPTYWPT-MRXNPFEDSA-N 1 0 350.528 3.336 50 0 FGAARO O[C@@H](C[NH+]1CCC(c2nnc3ccccn32)CC1)c1ccc(Cl)cc1 ZINC000073777880 494427628 /nfs/dbraw/zinc/42/76/28/494427628.db2.gz VKHXGFRSORGUNL-KRWDZBQOSA-N 1 0 356.857 3.296 50 0 FGAARO CCc1cc(=O)[nH]c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019794325 494460531 /nfs/dbraw/zinc/46/05/31/494460531.db2.gz MAYDWJFEVLJUBT-UHFFFAOYSA-N 1 0 374.488 3.244 50 0 FGAARO O[C@@H](C[NH+]1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000020218782 494469853 /nfs/dbraw/zinc/46/98/53/494469853.db2.gz PRRTWFYLGGURKN-SFHVURJKSA-N 1 0 361.283 3.305 50 0 FGAARO COc1ccccc1N1CC[NH+](C[C@H](O)c2c[nH]c3ccc(F)cc32)CC1 ZINC000021793121 494506525 /nfs/dbraw/zinc/50/65/25/494506525.db2.gz WFCVJDKTJKDJNT-FQEVSTJZSA-N 1 0 369.440 3.171 50 0 FGAARO C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022915809 494542570 /nfs/dbraw/zinc/54/25/70/494542570.db2.gz JWPIXNZEHRKQLH-MRXNPFEDSA-N 1 0 373.447 3.152 50 0 FGAARO OCC[C@H]1CN(Cc2cccn2-c2ccccn2)CC[N@@H+]1C1CCCCC1 ZINC000022932578 494543136 /nfs/dbraw/zinc/54/31/36/494543136.db2.gz OWSNIFMXDVKMMK-NRFANRHFSA-N 1 0 368.525 3.074 50 0 FGAARO COc1ccc(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023128041 494551151 /nfs/dbraw/zinc/55/11/51/494551151.db2.gz DRTKINPQXZGKPS-UHFFFAOYSA-N 1 0 358.507 3.328 50 0 FGAARO O=C(c1nc2ccccn2c1C[NH2+]CCc1ccccc1F)N1CCCC1 ZINC000023128792 494551732 /nfs/dbraw/zinc/55/17/32/494551732.db2.gz NOZVAQQTHVAEJC-UHFFFAOYSA-N 1 0 366.440 3.042 50 0 FGAARO Fc1ccccc1CN1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000023259912 494559009 /nfs/dbraw/zinc/55/90/09/494559009.db2.gz MWNYDCVDGGZVMJ-UHFFFAOYSA-N 1 0 350.441 3.329 50 0 FGAARO COc1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)cc(Br)c1O ZINC000023280725 494560041 /nfs/dbraw/zinc/56/00/41/494560041.db2.gz XXGXCAMQTBBBDQ-OAHLLOKOSA-N 1 0 366.255 3.329 50 0 FGAARO CCCCc1cc(=O)[nH]c(-c2cccc(CN3CCC([NH+](C)C)CC3)c2)n1 ZINC000023505008 494569268 /nfs/dbraw/zinc/56/92/68/494569268.db2.gz LIBGMLGFJPHUDS-UHFFFAOYSA-N 1 0 368.525 3.306 50 0 FGAARO CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(F)c(C)c1)CC2 ZINC000091304554 494580167 /nfs/dbraw/zinc/58/01/67/494580167.db2.gz UFLIZNHCWBWWHJ-UHFFFAOYSA-N 1 0 370.472 3.143 50 0 FGAARO Cc1c(Cl)cc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000091665556 494638812 /nfs/dbraw/zinc/63/88/12/494638812.db2.gz YSLIDAJFOFFDIA-CQSZACIVSA-N 1 0 371.308 3.486 50 0 FGAARO CC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)cc2)C[C@@H]1CO ZINC000091708106 494655291 /nfs/dbraw/zinc/65/52/91/494655291.db2.gz OZKFZWRKSGQIHQ-WOJBJXKFSA-N 1 0 370.468 3.125 50 0 FGAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000024770082 494663504 /nfs/dbraw/zinc/66/35/04/494663504.db2.gz FSILWMOKAHQUJD-UHFFFAOYSA-N 1 0 374.444 3.081 50 0 FGAARO Cc1c([C@H](C)NC(=O)CCC[NH+]2CCCC2)cnn1-c1cccc(F)c1 ZINC000091793615 494682421 /nfs/dbraw/zinc/68/24/21/494682421.db2.gz GXDMATFWXWOUMH-HNNXBMFYSA-N 1 0 358.461 3.373 50 0 FGAARO Cc1cc(N[C@@H](C)c2cnc(N3CCCCCCC3)nc2C)nc(N)[nH+]1 ZINC000091793891 494682603 /nfs/dbraw/zinc/68/26/03/494682603.db2.gz CITACLMJCMNLKL-AWEZNQCLSA-N 1 0 355.490 3.409 50 0 FGAARO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1cccc(O)c1 ZINC000075108066 494691269 /nfs/dbraw/zinc/69/12/69/494691269.db2.gz ITPAOCWCDCEOHH-CZUORRHYSA-N 1 0 350.459 3.242 50 0 FGAARO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)C[C@@H]1C=CCC1 ZINC000075106379 494691286 /nfs/dbraw/zinc/69/12/86/494691286.db2.gz DIPXIDICAGVYCO-WIYYLYMNSA-N 1 0 356.510 3.247 50 0 FGAARO O=C(Nc1cccc(Oc2cnccn2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000075118291 494695827 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CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000252467542 521621604 /nfs/dbraw/zinc/62/16/04/521621604.db2.gz QRMZNBYASUJKHW-PBHICJAKSA-N 1 0 367.440 3.449 50 0 FGAARO C[NH2+]C[C@@H]1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)C1 ZINC000178979602 522053562 /nfs/dbraw/zinc/05/35/62/522053562.db2.gz NAQHGVORRDBYKG-HNNXBMFYSA-N 1 0 358.869 3.454 50 0 FGAARO CCc1ocnc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091391332 523027151 /nfs/dbraw/zinc/02/71/51/523027151.db2.gz YHEDXDSGKDXWKX-RBUKOAKNSA-N 1 0 367.493 3.406 50 0 FGAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000091587369 523203720 /nfs/dbraw/zinc/20/37/20/523203720.db2.gz DSLZYEQBBXYTDM-UHFFFAOYSA-N 1 0 368.460 3.062 50 0 FGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000020449521 523351823 /nfs/dbraw/zinc/35/18/23/523351823.db2.gz LMFSOMXVXAPIIQ-HXUWFJFHSA-N 1 0 361.493 3.364 50 0 FGAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H]([NH2+]C1CCCC1)C2 ZINC000020600470 523610203 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FGAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CCSC)C3 ZINC000299755829 529087219 /nfs/dbraw/zinc/08/72/19/529087219.db2.gz FLLHWUIIYKWXDZ-LBPRGKRZSA-N 1 0 351.541 3.068 50 0 FGAARO CCCc1cnc(C)nc1N1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000095511938 535437492 /nfs/dbraw/zinc/43/74/92/535437492.db2.gz KULVDEOBPOKCER-FQEVSTJZSA-N 1 0 354.498 3.030 50 0 FGAARO COc1cccc2c(C)cc(N3CC[N@H+](CC=C(C)C)[C@H](CCO)C3)nc12 ZINC000072429292 536930756 /nfs/dbraw/zinc/93/07/56/536930756.db2.gz LJYAKKVZLMJTNR-GOSISDBHSA-N 1 0 369.509 3.391 50 0 FGAARO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C)c1cc2cnccc2o1 ZINC000685941433 571101126 /nfs/dbraw/zinc/10/11/26/571101126.db2.gz WUKFEUNXFIHOQS-GZBFAFLISA-N 1 0 355.442 3.114 50 0 FGAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000077342403 571140150 /nfs/dbraw/zinc/14/01/50/571140150.db2.gz WTHQZWUJYNXSPW-KRWDZBQOSA-N 1 0 362.901 3.191 50 0 FGAARO Cc1noc(C)c1C[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000045771155 571142923 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Cc1ncc(C[NH+]2CCC(n3cc(-c4ccc(F)cc4)nn3)CC2)cn1 ZINC000020539215 220333341 /nfs/dbraw/zinc/33/33/41/220333341.db2.gz LFLOPMUAFFPIJE-UHFFFAOYSA-N 1 0 352.417 3.020 50 0 FGAARO c1ccc2c(c1)CC(N1CCC[C@H]([NH2+]Cc3ccc4nsnc4c3)C1)C2 ZINC000020600590 220335058 /nfs/dbraw/zinc/33/50/58/220335058.db2.gz VRRBTBLLRQBVNB-SFHVURJKSA-N 1 0 364.518 3.413 50 0 FGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CN1Cc1cccc(Cl)c1 ZINC000020785689 220341935 /nfs/dbraw/zinc/34/19/35/220341935.db2.gz BURGNEUWIACCLV-OALUTQOASA-N 1 0 363.933 3.199 50 0 FGAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Br)c1OC ZINC000022076092 220376793 /nfs/dbraw/zinc/37/67/93/220376793.db2.gz WOGFVWUHXUNHNG-OAHLLOKOSA-N 1 0 366.255 3.290 50 0 FGAARO C[NH+]1CCN([C@H](CNC(=O)c2ccccc2Cl)c2ccsc2)CC1 ZINC000022765578 220397230 /nfs/dbraw/zinc/39/72/30/220397230.db2.gz OTSKXZQKFJYEAX-QGZVFWFLSA-N 1 0 363.914 3.120 50 0 FGAARO O=S(=O)(NCC1CC[NH+](Cc2ccco2)CC1)c1ccccc1Cl ZINC000023000312 220407300 /nfs/dbraw/zinc/40/73/00/220407300.db2.gz 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CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000012053827 494201617 /nfs/dbraw/zinc/20/16/17/494201617.db2.gz RHMGWURYSHCURP-LJQANCHMSA-N 1 0 372.509 3.379 50 0 FGAARO CC(C)NC(=O)c1cn(C2CC[NH+](CC[C@H](C)c3ccccc3)CC2)nn1 ZINC000012055195 494201732 /nfs/dbraw/zinc/20/17/32/494201732.db2.gz OVHUTBMWRHPREL-KRWDZBQOSA-N 1 0 369.513 3.247 50 0 FGAARO COCCNC(=O)CCC1CC[NH+]([C@H](C)Cc2ccc(F)cc2)CC1 ZINC000012074450 494201830 /nfs/dbraw/zinc/20/18/30/494201830.db2.gz QAOFCRMATJOSIM-MRXNPFEDSA-N 1 0 350.478 3.012 50 0 FGAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1)NC1CC1 ZINC000012058049 494201833 /nfs/dbraw/zinc/20/18/33/494201833.db2.gz SLXZFVVNSHHNJP-QGZVFWFLSA-N 1 0 352.482 3.143 50 0 FGAARO O=C(CCc1ccncc1)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012307427 494222339 /nfs/dbraw/zinc/22/23/39/494222339.db2.gz WXQBBERVVLYBFM-NRFANRHFSA-N 1 0 351.494 3.228 50 0 FGAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(OCCO)cc3)C2)c1 ZINC000012386588 494228528 /nfs/dbraw/zinc/22/85/28/494228528.db2.gz UVBFORWLEOAWRQ-LJQANCHMSA-N 1 0 369.461 3.161 50 0 FGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+]1C1CCSCC1 ZINC000012385942 494228858 /nfs/dbraw/zinc/22/88/58/494228858.db2.gz JLGLALGURSDTOU-SFHVURJKSA-N 1 0 356.495 3.171 50 0 FGAARO COC(=O)c1ccccc1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000012583838 494244248 /nfs/dbraw/zinc/24/42/48/494244248.db2.gz DWJSVNVAOVIAEV-GOSISDBHSA-N 1 0 366.461 3.210 50 0 FGAARO CC(=O)N1CCN(c2ncccc2C[NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC000012596111 494245395 /nfs/dbraw/zinc/24/53/95/494245395.db2.gz JWKUXALPRQGREN-UHFFFAOYSA-N 1 0 366.509 3.163 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cn2)CC1 ZINC000012613198 494247196 /nfs/dbraw/zinc/24/71/96/494247196.db2.gz QVDZGUBOJAGKPV-UHFFFAOYSA-N 1 0 365.264 3.393 50 0 FGAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000054719341 494264265 /nfs/dbraw/zinc/26/42/65/494264265.db2.gz DDOVIKPALXXAQA-UZLBHIALSA-N 1 0 365.477 3.295 50 0 FGAARO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1I ZINC000078606761 494329377 /nfs/dbraw/zinc/32/93/77/494329377.db2.gz WZNCNGUTZRHNEL-WDEREUQCSA-N 1 0 360.239 3.252 50 0 FGAARO CCC[N@H+](CC(=O)Nc1nncs1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000078876566 494375270 /nfs/dbraw/zinc/37/52/70/494375270.db2.gz ULMAIRSIGCGIKQ-GJZGRUSLSA-N 1 0 366.531 3.317 50 0 FGAARO CCOC(=O)C1CCN(c2cc(C)c3c(cc(OC)cc3OC)[nH+]2)CC1 ZINC000016671363 494399045 /nfs/dbraw/zinc/39/90/45/494399045.db2.gz QMSAXOQPCCJWDP-UHFFFAOYSA-N 1 0 358.438 3.340 50 0 FGAARO C[C@H](OC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N(C)Cc1ccccc1 ZINC000079104140 494405050 /nfs/dbraw/zinc/40/50/50/494405050.db2.gz APYBNQQSIMTJPP-HKUYNNGSSA-N 1 0 372.509 3.231 50 0 FGAARO C[NH+](C)C[C@H]1CSCCCN1C(=O)NCc1cccc2ccccc21 ZINC000090608928 494487394 /nfs/dbraw/zinc/48/73/94/494487394.db2.gz QEYIWZQUJJEFNR-SFHVURJKSA-N 1 0 357.523 3.419 50 0 FGAARO COc1ccccc1N1CC[NH+](C[C@@H](O)c2c[nH]c3ccc(F)cc32)CC1 ZINC000021793117 494506597 /nfs/dbraw/zinc/50/65/97/494506597.db2.gz WFCVJDKTJKDJNT-HXUWFJFHSA-N 1 0 369.440 3.171 50 0 FGAARO COc1cc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1 ZINC000022925126 494542490 /nfs/dbraw/zinc/54/24/90/494542490.db2.gz SJDWRRMRWDPQLX-NRFANRHFSA-N 1 0 374.456 3.006 50 0 FGAARO O[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C1)COCc1ccccc1Cl ZINC000022940566 494543723 /nfs/dbraw/zinc/54/37/23/494543723.db2.gz MUEYAUWEPNBHHO-VQTJNVASSA-N 1 0 374.912 3.082 50 0 FGAARO Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000023127648 494551351 /nfs/dbraw/zinc/55/13/51/494551351.db2.gz CKXWOBVMKCUNNF-UHFFFAOYSA-N 1 0 364.536 3.247 50 0 FGAARO Cc1ccc(OCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023127993 494551544 /nfs/dbraw/zinc/55/15/44/494551544.db2.gz JRLFBJAKDSZKHG-UHFFFAOYSA-N 1 0 352.478 3.402 50 0 FGAARO Cc1cc(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)ccc1F ZINC000023127615 494551754 /nfs/dbraw/zinc/55/17/54/494551754.db2.gz YATKTWXNMXBPMB-UHFFFAOYSA-N 1 0 354.491 3.067 50 0 FGAARO O=C(COc1ccc(Oc2ccccn2)cc1)NCCC[NH+]1CCCCC1 ZINC000023195580 494555487 /nfs/dbraw/zinc/55/54/87/494555487.db2.gz SPXQLJYGCBXODJ-UHFFFAOYSA-N 1 0 369.465 3.245 50 0 FGAARO Cc1cc(C[NH+]2CCC(n3cc(-c4cc(F)cc(F)c4)nn3)CC2)[nH]n1 ZINC000023251590 494559048 /nfs/dbraw/zinc/55/90/48/494559048.db2.gz MQGOCGSCPSPZME-UHFFFAOYSA-N 1 0 358.396 3.092 50 0 FGAARO CN1CC[C@@]2(CN(Cc3cccc(Cl)c3Cl)CC[N@@H+]2C)CCC1=O ZINC000091445121 494601438 /nfs/dbraw/zinc/60/14/38/494601438.db2.gz ZIVWXAAAEVOWLE-GOSISDBHSA-N 1 0 370.324 3.122 50 0 FGAARO Cc1cccc2cc(CO)c(N3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)nc12 ZINC000091452761 494601456 /nfs/dbraw/zinc/60/14/56/494601456.db2.gz KSXPNSIBLBVMDA-YLJYHZDGSA-N 1 0 351.494 3.346 50 0 FGAARO COc1ccc([C@@H](CNC(=O)CCc2c(C)noc2C)[NH+]2CCCC2)cc1 ZINC000024262214 494616166 /nfs/dbraw/zinc/61/61/66/494616166.db2.gz GWOVZFHRZZPQOO-HXUWFJFHSA-N 1 0 371.481 3.186 50 0 FGAARO O=C1CCC2(CC[NH+](CCc3cccc4ccccc43)CC2)CN1CCO ZINC000091624833 494630357 /nfs/dbraw/zinc/63/03/57/494630357.db2.gz KKPMOKSONZPSKT-UHFFFAOYSA-N 1 0 366.505 3.079 50 0 FGAARO [NH3+][C@@H](C(=O)N1CCc2onc(-c3ccccc3F)c2C1)c1ccccc1 ZINC000067820976 494656219 /nfs/dbraw/zinc/65/62/19/494656219.db2.gz TWXZHYFOOXWMOJ-GOSISDBHSA-N 1 0 351.381 3.065 50 0 FGAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(SCCO)cc1)C2 ZINC000091746976 494667867 /nfs/dbraw/zinc/66/78/67/494667867.db2.gz NWYJSGAFPBYCRA-IEBWSBKVSA-N 1 0 374.550 3.274 50 0 FGAARO CC(C)CO[C@@H](C)c1noc(CN2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000074991267 494669051 /nfs/dbraw/zinc/66/90/51/494669051.db2.gz HWCUQDYVIKWLEY-INIZCTEOSA-N 1 0 350.507 3.254 50 0 FGAARO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000047322791 494680321 /nfs/dbraw/zinc/68/03/21/494680321.db2.gz NOCPFIYECCXBCM-UHFFFAOYSA-N 1 0 354.454 3.266 50 0 FGAARO C[C@@H](C(=O)NCCc1nc(-c2ccncc2)cs1)[NH+]1CCCCCC1 ZINC000075092602 494687218 /nfs/dbraw/zinc/68/72/18/494687218.db2.gz WGFUUASHPLXNHL-HNNXBMFYSA-N 1 0 358.511 3.128 50 0 FGAARO CC(C)[C@H]1C[N@H+](Cc2cnn(C)c2C2CC2)C[C@@H]1NC(=O)C1CCCC1 ZINC000091848765 494704923 /nfs/dbraw/zinc/70/49/23/494704923.db2.gz JXBQONZPQOFQDI-MOPGFXCFSA-N 1 0 358.530 3.060 50 0 FGAARO COCCCN1CCC[C@@]2(CC[N@H+](Cc3ccc4ccn(C)c4c3)C2)C1=O ZINC000091873081 494711676 /nfs/dbraw/zinc/71/16/76/494711676.db2.gz ZWPILQIYRLEOFZ-QFIPXVFZSA-N 1 0 369.509 3.029 50 0 FGAARO O=C(Cc1ccccc1O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091872699 494712036 /nfs/dbraw/zinc/71/20/36/494712036.db2.gz SQZITHNWYVMGGA-FXAWDEMLSA-N 1 0 368.452 3.197 50 0 FGAARO Cn1c2ccccc2nc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091973939 494739504 /nfs/dbraw/zinc/73/95/04/494739504.db2.gz GVAXFOCAAXVFHO-RBUKOAKNSA-N 1 0 361.493 3.065 50 0 FGAARO Cc1ccn2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C(=O)N4Cc3ccccc3)nc2c1 ZINC000092038132 494763432 /nfs/dbraw/zinc/76/34/32/494763432.db2.gz HHEAQSVEWSVRPJ-PZJWPPBQSA-N 1 0 374.488 3.266 50 0 FGAARO CCn1nc(CC(C)C)cc1C(=O)NC[C@@H](c1ccccc1C)[NH+](C)C ZINC000092096908 494787175 /nfs/dbraw/zinc/78/71/75/494787175.db2.gz PGLLINUZJNJPCU-FQEVSTJZSA-N 1 0 356.514 3.443 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1cccs1 ZINC000027674764 494880986 /nfs/dbraw/zinc/88/09/86/494880986.db2.gz MLLKQHKILPXSIM-QZTJIDSGSA-N 1 0 374.506 3.339 50 0 FGAARO CC[NH+](CC)C[C@H]1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000093693844 494914029 /nfs/dbraw/zinc/91/40/29/494914029.db2.gz SFYCNCZUURKCFG-MRXNPFEDSA-N 1 0 370.497 3.012 50 0 FGAARO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)c(F)c1F ZINC000095357208 494962319 /nfs/dbraw/zinc/96/23/19/494962319.db2.gz ZDXODNHJKRVEIP-CQSZACIVSA-N 1 0 364.392 3.095 50 0 FGAARO CC(C)(C)CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095364528 494965590 /nfs/dbraw/zinc/96/55/90/494965590.db2.gz PVYSWHMEFIMASI-ZLGUVYLKSA-N 1 0 370.493 3.240 50 0 FGAARO CCCn1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000095366375 494965868 /nfs/dbraw/zinc/96/58/68/494965868.db2.gz WTKDJNNSGLZXEL-WOJBJXKFSA-N 1 0 366.509 3.338 50 0 FGAARO COc1cc2c(cc1CN1C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C1)OCCO2 ZINC000095372205 494967961 /nfs/dbraw/zinc/96/79/61/494967961.db2.gz BKTUZYDNCJTDJC-PKOBYXMFSA-N 1 0 372.509 3.163 50 0 FGAARO Cc1cc(F)ccc1C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095380577 494969846 /nfs/dbraw/zinc/96/98/46/494969846.db2.gz ABUPFYUYBKTUAK-UHFFFAOYSA-N 1 0 372.488 3.302 50 0 FGAARO CN(Cc1nc2ccccc2n1C)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095391478 494973084 /nfs/dbraw/zinc/97/30/84/494973084.db2.gz DCMICRQAGFZNRX-SFHVURJKSA-N 1 0 362.477 3.313 50 0 FGAARO O=C(CCc1cc(Cl)no1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095389243 494973094 /nfs/dbraw/zinc/97/30/94/494973094.db2.gz OEJPIZBGKDJEAY-DLBZAZTESA-N 1 0 373.884 3.384 50 0 FGAARO C[NH+]1CCC(C2CCN(C(=O)[C@@H]3Cc4cc(Cl)ccc4N3)CC2)CC1 ZINC000095392060 494973743 /nfs/dbraw/zinc/97/37/43/494973743.db2.gz JXEDMKOOISXYFP-IBGZPJMESA-N 1 0 361.917 3.257 50 0 FGAARO CC(C)n1cnnc1CC[NH2+][C@H]1CCCN(Cc2ccccc2)C1(C)C ZINC000095459381 494976675 /nfs/dbraw/zinc/97/66/75/494976675.db2.gz GDPCZFFOUBNYKH-IBGZPJMESA-N 1 0 355.530 3.434 50 0 FGAARO CN(C)c1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c2ccccc2n1 ZINC000095468856 494977832 /nfs/dbraw/zinc/97/78/32/494977832.db2.gz KBFUKWSPDOYCQO-QGZVFWFLSA-N 1 0 366.509 3.249 50 0 FGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(CC)s1)CC2 ZINC000095497429 494980530 /nfs/dbraw/zinc/98/05/30/494980530.db2.gz AQCAPTYKNZKIJI-UHFFFAOYSA-N 1 0 372.538 3.433 50 0 FGAARO Cc1[nH]ccc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000095502079 494981310 /nfs/dbraw/zinc/98/13/10/494981310.db2.gz HJLDWWHICFFHHN-KRWDZBQOSA-N 1 0 357.473 3.489 50 0 FGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCF)c1 ZINC000095511168 494982995 /nfs/dbraw/zinc/98/29/95/494982995.db2.gz INGYAJQYHGZONH-UHFFFAOYSA-N 1 0 364.461 3.180 50 0 FGAARO Cc1ccccc1[C@H](C(=O)NC1CC[NH+](Cc2cccs2)CC1)N(C)C ZINC000095510471 494983515 /nfs/dbraw/zinc/98/35/15/494983515.db2.gz HVTBCVRIZHMASG-HXUWFJFHSA-N 1 0 371.550 3.440 50 0 FGAARO CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000095512675 494984559 /nfs/dbraw/zinc/98/45/59/494984559.db2.gz VZZNTDYXQXHYAC-MRXNPFEDSA-N 1 0 356.470 3.112 50 0 FGAARO CSCCc1nc(CSc2ccncc2)n(C2CC[NH+](C)CC2)n1 ZINC000095518471 494985694 /nfs/dbraw/zinc/98/56/94/494985694.db2.gz IXRHKRBRFBWWEG-UHFFFAOYSA-N 1 0 363.556 3.138 50 0 FGAARO Cc1cc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c(Cl)cc1F ZINC000095526384 494987042 /nfs/dbraw/zinc/98/70/42/494987042.db2.gz TUEFKCDBDJRKST-CYBMUJFWSA-N 1 0 357.857 3.362 50 0 FGAARO CCc1ncc(C(=O)N2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)cn1 ZINC000095527013 494987571 /nfs/dbraw/zinc/98/75/71/494987571.db2.gz RVXMEMIMCYPEKU-GOSISDBHSA-N 1 0 364.493 3.133 50 0 FGAARO COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000096012838 494996655 /nfs/dbraw/zinc/99/66/55/494996655.db2.gz BUCSYRWXRDNNQU-QKKBWIMNSA-N 1 0 369.465 3.017 50 0 FGAARO COc1cccc(-c2nc3c([nH]2)C[N@H+](CCCn2nc(C)cc2C)CC3)c1 ZINC000096162908 495005854 /nfs/dbraw/zinc/00/58/54/495005854.db2.gz TZHACKNDKNVRSB-UHFFFAOYSA-N 1 0 365.481 3.347 50 0 FGAARO Cc1cc2nc(C[N@@H+]3CCC[C@H](CCc4ccccc4)C3)cc(=O)n2[n-]1 ZINC000102686736 495153459 /nfs/dbraw/zinc/15/34/59/495153459.db2.gz WBZKIUAIGYXMGT-GOSISDBHSA-N 1 0 350.466 3.176 50 0 FGAARO Cc1cc(CN2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)no1 ZINC000120582485 495409683 /nfs/dbraw/zinc/40/96/83/495409683.db2.gz PUTYJQHTQHNRLT-UHFFFAOYSA-N 1 0 371.872 3.140 50 0 FGAARO CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000170591970 495530753 /nfs/dbraw/zinc/53/07/53/495530753.db2.gz WSRQDOAWIDSIPY-AKHDSKFASA-N 1 0 357.560 3.451 50 0 FGAARO CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000170606666 495533545 /nfs/dbraw/zinc/53/35/45/495533545.db2.gz WWXPLWGESCOJRY-UHFFFAOYSA-N 1 0 352.422 3.058 50 0 FGAARO Cc1nc(CN2CCN(Cc3ccc(-c4ccc(F)cc4)o3)CC2)no1 ZINC000179552332 495637804 /nfs/dbraw/zinc/63/78/04/495637804.db2.gz JGHNDGLMYMZIGW-UHFFFAOYSA-N 1 0 356.401 3.095 50 0 FGAARO CN(C)c1ncccc1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000154801706 495732224 /nfs/dbraw/zinc/73/22/24/495732224.db2.gz WQCVXBDFZQHFPQ-UHFFFAOYSA-N 1 0 350.466 3.070 50 0 FGAARO CC[C@H](CO)[NH2+]Cc1nn(Cc2cccc(C)c2)nc1-c1ccccc1 ZINC000247934077 496929253 /nfs/dbraw/zinc/92/92/53/496929253.db2.gz RMXJPYKHOZVNMV-LJQANCHMSA-N 1 0 350.466 3.162 50 0 FGAARO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc(F)cc(F)c1 ZINC000248064470 496949664 /nfs/dbraw/zinc/94/96/64/496949664.db2.gz MBILIFIFKAIPPN-HZUJVAHNSA-N 1 0 360.448 3.498 50 0 FGAARO C[N@@H+](Cc1ccccc1OCC(=O)N1CCCCC1)C[C@@H]1CCCCO1 ZINC000215517640 496982553 /nfs/dbraw/zinc/98/25/53/496982553.db2.gz BSGIYWZIAGZTHU-IBGZPJMESA-N 1 0 360.498 3.079 50 0 FGAARO Cn1cnnc1Sc1ccc(C[N@@H+]2CCCC[C@@H]2CCn2ccnc2)o1 ZINC000215845568 496984450 /nfs/dbraw/zinc/98/44/50/496984450.db2.gz WOKPUXCWINROIM-OAHLLOKOSA-N 1 0 372.498 3.201 50 0 FGAARO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ccccn2)cc1Cn1cncn1 ZINC000215860076 496985382 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O=C1CCCN1C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000047794646 570931373 /nfs/dbraw/zinc/93/13/73/570931373.db2.gz RYHKILUBILNFSR-NRFANRHFSA-N 1 0 360.461 3.326 50 0 FGAARO O=C(Nc1ccccc1-n1cccn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000048149999 570935575 /nfs/dbraw/zinc/93/55/75/570935575.db2.gz MWQBIGTUDOXTKC-GOSISDBHSA-N 1 0 361.449 3.268 50 0 FGAARO COc1cccc([C@H](CNC(=O)Nc2cccnc2OC)[NH+]2CCCC2)c1 ZINC000048278477 570942131 /nfs/dbraw/zinc/94/21/31/570942131.db2.gz PRLHHCQXPWSOOC-SFHVURJKSA-N 1 0 370.453 3.057 50 0 FGAARO COc1cc(Br)c(C[NH2+]C[C@H](O)c2ccccc2)cc1OC ZINC000113432850 570963055 /nfs/dbraw/zinc/96/30/55/570963055.db2.gz URUYCXHTGNJUCQ-HNNXBMFYSA-N 1 0 366.255 3.290 50 0 FGAARO CCCN(C(=O)CCc1nc(C2=CC[N@H+](C)CC2)no1)c1ccc(F)cc1 ZINC000033069138 571146575 /nfs/dbraw/zinc/14/65/75/571146575.db2.gz ROPSPMYKKSCDBW-UHFFFAOYSA-N 1 0 372.444 3.303 50 0 FGAARO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000221826708 571175728 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O=C(NCCc1ccccc1)[C@@H]1CC12CC[NH+](C1CCSCC1)CC2 ZINC000014997856 695615688 /nfs/dbraw/zinc/61/56/88/695615688.db2.gz ORVTVSYSVIPVSD-IBGZPJMESA-N 1 0 358.551 3.343 50 0 FGAARO C[NH+]1CCC(n2nc(Cc3cccc(Cl)c3)nc2[C@H]2CCOC2)CC1 ZINC000095519402 700458440 /nfs/dbraw/zinc/45/84/40/700458440.db2.gz BSXXFCNFWYJRCU-HNNXBMFYSA-N 1 0 360.889 3.293 50 0 FGAARO Cc1c[nH+]ccc1N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000192550598 712866144 /nfs/dbraw/zinc/86/61/44/712866144.db2.gz QWWZFSSYQLWKHP-UHFFFAOYSA-N 1 0 371.915 3.006 50 0 FGAARO COc1ccccc1CN(CCc1ccc(F)cc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000215431316 222647834 /nfs/dbraw/zinc/64/78/34/222647834.db2.gz BGWVFLBYKYHOSP-LJQANCHMSA-N 1 0 356.441 3.158 50 0 FGAARO CNC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000299798322 529906754 /nfs/dbraw/zinc/90/67/54/529906754.db2.gz RMDSGKFHIBVBJO-GFCCVEGCSA-N 1 0 369.412 3.397 50 0 FGAARO CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000299778491 529958168 /nfs/dbraw/zinc/95/81/68/529958168.db2.gz NGSOCSLBZVINAC-IBGZPJMESA-N 1 0 367.493 3.004 50 0 FGAARO Cn1nc(CN2CC[NH+](C3CCSCC3)CC2)c2c1cccc2Cl ZINC000216308856 222663334 /nfs/dbraw/zinc/66/33/34/222663334.db2.gz BOXJYJNBBBPELB-UHFFFAOYSA-N 1 0 364.946 3.240 50 0 FGAARO C[N@@H+]1CCCC[C@@H]1COC(=O)C1(O)c2ccccc2CCc2ccccc21 ZINC000000664941 219310741 /nfs/dbraw/zinc/31/07/41/219310741.db2.gz JSCIWGLKNYMKTO-LJQANCHMSA-N 1 0 365.473 3.049 50 0 FGAARO CC12CN(Cc3ccccc3)CC(C)(C[NH+](Cc3ccccc3)C1)C2O ZINC000000755166 219319232 /nfs/dbraw/zinc/31/92/32/219319232.db2.gz KPUYNELHBVOTER-UHFFFAOYSA-N 1 0 350.506 3.392 50 0 FGAARO CC[NH+](CC)CCn1c2ccccc2n(CC(=O)c2ccc(C)cc2)c1=N ZINC000000821032 219327146 /nfs/dbraw/zinc/32/71/46/219327146.db2.gz XUXFFVVQPZCGDK-UHFFFAOYSA-N 1 0 364.493 3.455 50 0 FGAARO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CCc2ccccc2)cc1OC ZINC000000869988 219334534 /nfs/dbraw/zinc/33/45/34/219334534.db2.gz OMAKCNHFSJPTTR-LJQANCHMSA-N 1 0 368.477 3.027 50 0 FGAARO CC[NH+](CC)CCn1c2ccccc2n(CC(=O)c2cccs2)c1=N ZINC000001195139 219387844 /nfs/dbraw/zinc/38/78/44/219387844.db2.gz UCXRCKOZRORETI-UHFFFAOYSA-N 1 0 356.495 3.208 50 0 FGAARO C[C@@H](Cc1ccccc1)[NH2+]CC(=O)Nc1cc(N(C)C)nc2ccccc21 ZINC000001306930 219393744 /nfs/dbraw/zinc/39/37/44/219393744.db2.gz DYHXPTWXDVZTSN-INIZCTEOSA-N 1 0 362.477 3.460 50 0 FGAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1nc2ccccc2s1 ZINC000225569378 222852007 /nfs/dbraw/zinc/85/20/07/222852007.db2.gz JOEQRSATPYVZMA-CQSZACIVSA-N 1 0 361.536 3.244 50 0 FGAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)c1nccc2ccccc21 ZINC000252482388 222969238 /nfs/dbraw/zinc/96/92/38/222969238.db2.gz DEJXHRGCYDTUTI-UHFFFAOYSA-N 1 0 355.507 3.325 50 0 FGAARO O=C(/C=C/c1ccsc1)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000253394022 222983553 /nfs/dbraw/zinc/98/35/53/222983553.db2.gz VMHIBZUVFTXBMP-OWOJBTEDSA-N 1 0 350.553 3.485 50 0 FGAARO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000253420176 222988722 /nfs/dbraw/zinc/98/87/22/222988722.db2.gz UXZOZIOOEDJITH-QGZVFWFLSA-N 1 0 369.509 3.196 50 0 FGAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH+](CC)CC)C[C@H](C)CC2 ZINC000005019122 219640280 /nfs/dbraw/zinc/64/02/80/219640280.db2.gz GGCXDXGROASKLJ-GFCCVEGCSA-N 1 0 352.500 3.330 50 0 FGAARO CCCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000006746990 219764507 /nfs/dbraw/zinc/76/45/07/219764507.db2.gz MVKAJJIGHQXQOQ-UHFFFAOYSA-N 1 0 368.543 3.371 50 0 FGAARO COc1ccc(CC[NH2+]Cc2ccc(OCC(=O)NC(C)(C)C)cc2)cc1 ZINC000006882423 219779838 /nfs/dbraw/zinc/77/98/38/219779838.db2.gz URGIBPTXAMPJRW-UHFFFAOYSA-N 1 0 370.493 3.321 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000012525200 220002600 /nfs/dbraw/zinc/00/26/00/220002600.db2.gz URNAOSUGKFDDMZ-SFHVURJKSA-N 1 0 352.413 3.249 50 0 FGAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](CNC(=O)c2cccnc2)C1 ZINC000012590730 220010749 /nfs/dbraw/zinc/01/07/49/220010749.db2.gz YOCKLBXDIDDQOP-WGLAMXGCSA-N 1 0 365.477 3.245 50 0 FGAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc2ccccc2[nH]c1=O ZINC000012616103 220013312 /nfs/dbraw/zinc/01/33/12/220013312.db2.gz HRMHUSFTZFPVJY-UHFFFAOYSA-N 1 0 361.445 3.054 50 0 FGAARO CC[NH+]1CCC2(CC1)OCCN2C(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000013692870 220087221 /nfs/dbraw/zinc/08/72/21/220087221.db2.gz QVHVMFVJWBLMBA-UHFFFAOYSA-N 1 0 373.280 3.286 50 0 FGAARO CCC[NH+]1CCC(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000014077800 220104340 /nfs/dbraw/zinc/10/43/40/220104340.db2.gz MCGPYWGMMRBEBN-UHFFFAOYSA-N 1 0 352.482 3.354 50 0 FGAARO Cc1c(C)c(C)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(C)c1C ZINC000014102467 220106040 /nfs/dbraw/zinc/10/60/40/220106040.db2.gz LGOURBPSXLEUEP-UHFFFAOYSA-N 1 0 350.528 3.134 50 0 FGAARO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)c1 ZINC000014185563 220114384 /nfs/dbraw/zinc/11/43/84/220114384.db2.gz CCFQDDBFJMVCAN-MRXNPFEDSA-N 1 0 365.477 3.485 50 0 FGAARO C[C@@H]1Sc2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2NC1=O ZINC000014252252 220120955 /nfs/dbraw/zinc/12/09/55/220120955.db2.gz KHGUPVWSMILSIM-GUYCJALGSA-N 1 0 369.490 3.152 50 0 FGAARO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](C)C2CCCCCC2)c(C)c1 ZINC000014705203 220129431 /nfs/dbraw/zinc/12/94/31/220129431.db2.gz OHMSJWHRRTVLHP-UHFFFAOYSA-N 1 0 359.514 3.321 50 0 FGAARO O=C(c1cnccn1)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000014958669 220136533 /nfs/dbraw/zinc/13/65/33/220136533.db2.gz OZSDGLLRZJIOFK-NRFANRHFSA-N 1 0 356.514 3.375 50 0 FGAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1ccccc1-c1ccco1)CC2 ZINC000014748658 220132593 /nfs/dbraw/zinc/13/25/93/220132593.db2.gz VFXMCTSDWVPJEW-UHFFFAOYSA-N 1 0 367.449 3.195 50 0 FGAARO FC1(F)Oc2ccc(-c3n[nH]c4c3C[N@@H+]([C@H]3CCSC3)CC4)cc2O1 ZINC000019221762 220241337 /nfs/dbraw/zinc/24/13/37/220241337.db2.gz NSHOTSXPGZJIBS-NSHDSACASA-N 1 0 365.405 3.262 50 0 FGAARO COC(=O)c1ccc(C[NH2+][C@H]2CCCN(Cc3cccc(OC)c3)C2)cc1 ZINC000019301177 220249940 /nfs/dbraw/zinc/24/99/40/220249940.db2.gz CVPKWUUKZKSHLR-FQEVSTJZSA-N 1 0 368.477 3.236 50 0 FGAARO COc1ccccc1Oc1ccc(NC(=O)N2CCCC[C@H]2C[NH3+])cn1 ZINC000299766433 532953226 /nfs/dbraw/zinc/95/32/26/532953226.db2.gz DOSLRBQKTVRFAS-HNNXBMFYSA-N 1 0 356.426 3.228 50 0 FGAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]Cc2cccn2-c2ncccn2)C1 ZINC000019595628 220280700 /nfs/dbraw/zinc/28/07/00/220280700.db2.gz UPWZPZOUPFQTIY-GOSISDBHSA-N 1 0 365.456 3.161 50 0 FGAARO S=c1oc(-c2ccncc2)nn1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019690803 220285877 /nfs/dbraw/zinc/28/58/77/220285877.db2.gz ONGRDHJSYYTAKD-UHFFFAOYSA-N 1 0 367.478 3.043 50 0 FGAARO COc1cc(OC)c(OC)cc1CN1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000019831727 220301899 /nfs/dbraw/zinc/30/18/99/220301899.db2.gz BNYJIUVRVYCGAM-SJLPKXTDSA-N 1 0 362.514 3.409 50 0 FGAARO CCCOc1ccc(C(=O)CCC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000021556663 220359020 /nfs/dbraw/zinc/35/90/20/220359020.db2.gz OTXYYKWZKUUUEW-UHFFFAOYSA-N 1 0 360.498 3.427 50 0 FGAARO O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000021528206 220359140 /nfs/dbraw/zinc/35/91/40/220359140.db2.gz RHWRNVNPUNWQPB-UHFFFAOYSA-N 1 0 356.445 3.306 50 0 FGAARO COc1cccc(-c2noc3ncnc(NCC[NH+]4CCC(C)CC4)c32)c1 ZINC000021714907 220364955 /nfs/dbraw/zinc/36/49/55/220364955.db2.gz CNUWRLHKGYUPND-UHFFFAOYSA-N 1 0 367.453 3.437 50 0 FGAARO COc1cc([C@@H](c2ccccc2)N2CCC[NH2+]CC2)cc(OC)c1OC ZINC000022028437 220374858 /nfs/dbraw/zinc/37/48/58/220374858.db2.gz FPPFSSBNTOQSST-HXUWFJFHSA-N 1 0 356.466 3.097 50 0 FGAARO Cc1cc(-n2c(C)cc(C[NH2+][C@@H](C)[C@H](O)c3ccc(O)cc3)c2C)no1 ZINC000021841277 220369180 /nfs/dbraw/zinc/36/91/80/220369180.db2.gz AGAZFEWSWFCFEG-XOBRGWDASA-N 1 0 355.438 3.308 50 0 FGAARO Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000022031523 220373491 /nfs/dbraw/zinc/37/34/91/220373491.db2.gz QNPPFTBVPHBACD-RXVVDRJESA-N 1 0 366.509 3.494 50 0 FGAARO Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1C ZINC000022765587 220397243 /nfs/dbraw/zinc/39/72/43/220397243.db2.gz GWKGJZNCWMZPAX-IBGZPJMESA-N 1 0 357.523 3.083 50 0 FGAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000022799791 220398387 /nfs/dbraw/zinc/39/83/87/220398387.db2.gz CHMSMSYSJUZWLI-SFHVURJKSA-N 1 0 359.514 3.028 50 0 FGAARO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)Nc1ccc(F)c(F)c1 ZINC000048356591 221009988 /nfs/dbraw/zinc/00/99/88/221009988.db2.gz ZQMAPKVRGISHMR-UHFFFAOYSA-N 1 0 365.468 3.491 50 0 FGAARO C[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744930 221014026 /nfs/dbraw/zinc/01/40/26/221014026.db2.gz RBJGMEMNZBHRSP-ZDUSSCGKSA-N 1 0 360.404 3.473 50 0 FGAARO C[C@H]([NH2+]CCOc1ccccc1F)C(=O)N[C@H]1CCCc2ccccc21 ZINC000049580912 221025693 /nfs/dbraw/zinc/02/56/93/221025693.db2.gz OTFHDNNBGDXCJA-KXBFYZLASA-N 1 0 356.441 3.376 50 0 FGAARO COc1ccccc1C(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000055326150 221065697 /nfs/dbraw/zinc/06/56/97/221065697.db2.gz GBPMUWIETNZNKL-OAHLLOKOSA-N 1 0 367.449 3.228 50 0 FGAARO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1 ZINC000052917723 221041890 /nfs/dbraw/zinc/04/18/90/221041890.db2.gz IHFGJGDTFYPZEL-HNNXBMFYSA-N 1 0 351.450 3.025 50 0 FGAARO CCC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000053408789 221046029 /nfs/dbraw/zinc/04/60/29/221046029.db2.gz ABFSLLFZVNGBHA-LBPRGKRZSA-N 1 0 360.424 3.119 50 0 FGAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000054805875 221054968 /nfs/dbraw/zinc/05/49/68/221054968.db2.gz UMGHEPOAVQTVIG-MOPGFXCFSA-N 1 0 372.557 3.323 50 0 FGAARO CC1CC[NH+](C[C@H](O)COc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000058161921 221100903 /nfs/dbraw/zinc/10/09/03/221100903.db2.gz UJOCVBXSHAYUPH-KRWDZBQOSA-N 1 0 358.438 3.004 50 0 FGAARO CCOc1ccc(OCCC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1 ZINC000058166560 221101373 /nfs/dbraw/zinc/10/13/73/221101373.db2.gz GPXZCDBCHFRZTF-UHFFFAOYSA-N 1 0 370.493 3.445 50 0 FGAARO Cc1nn2c(nc(C[N@@H+](Cc3cc4c(s3)CCC4)C(C)C)cc2=O)s1 ZINC000058208647 221107365 /nfs/dbraw/zinc/10/73/65/221107365.db2.gz PJSZSEZBLVMQCT-UHFFFAOYSA-N 1 0 374.535 3.420 50 0 FGAARO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)C[C@@H](C)O1 ZINC000058210727 221107583 /nfs/dbraw/zinc/10/75/83/221107583.db2.gz JKJHXEBCAGXTPQ-LMMKCTJWSA-N 1 0 369.509 3.201 50 0 FGAARO Cc1c(O)ccc2c(C[N@H+](C)Cc3ccc4c(c3)OCCO4)cc(=O)oc12 ZINC000057529557 221090593 /nfs/dbraw/zinc/09/05/93/221090593.db2.gz UETPYVRGDAAWMA-UHFFFAOYSA-N 1 0 367.401 3.210 50 0 FGAARO COc1ccc(CCNC(=[NH2+])NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000057752056 221092964 /nfs/dbraw/zinc/09/29/64/221092964.db2.gz JCNQATPUVXZTAW-IBGZPJMESA-N 1 0 370.497 3.172 50 0 FGAARO FC(F)(F)CN1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000057976064 221095302 /nfs/dbraw/zinc/09/53/02/221095302.db2.gz AZDCJEHQHWFTRY-AWEZNQCLSA-N 1 0 358.795 3.456 50 0 FGAARO CN(C(=O)c1cccc2ccccc21)[C@H]1C[N@@H+](C2CCCCC2)C[C@@H]1O ZINC000059689418 221126706 /nfs/dbraw/zinc/12/67/06/221126706.db2.gz STQFKYITGCIKKN-SFTDATJTSA-N 1 0 352.478 3.290 50 0 FGAARO O=C(N1CC[C@@H]([NH+]2CCCC2)C1)C1(c2cccc(Br)c2)CC1 ZINC000060374087 221129864 /nfs/dbraw/zinc/12/98/64/221129864.db2.gz JJZYTBDECIQIQW-MRXNPFEDSA-N 1 0 363.299 3.177 50 0 FGAARO COc1ccc(-c2cnc(CCC(=O)NCC[NH+]3CCC(C)CC3)o2)cc1 ZINC000058263937 221111135 /nfs/dbraw/zinc/11/11/35/221111135.db2.gz HBSXETYHNKNLPZ-UHFFFAOYSA-N 1 0 371.481 3.131 50 0 FGAARO Fc1ccc(Oc2ccc(C[NH2+]C[C@H]3CNc4ccnn4C3)cn2)cc1 ZINC000058307665 221113596 /nfs/dbraw/zinc/11/35/96/221113596.db2.gz YCOGBPLKRLAWMJ-HNNXBMFYSA-N 1 0 353.401 3.041 50 0 FGAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1 ZINC000058342358 221115071 /nfs/dbraw/zinc/11/50/71/221115071.db2.gz NXQUOAQGMCXIHI-XJKCOSOUSA-N 1 0 366.303 3.322 50 0 FGAARO COCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000062369939 221140339 /nfs/dbraw/zinc/14/03/39/221140339.db2.gz BJRIWMLHIAZMGO-KRWDZBQOSA-N 1 0 353.466 3.443 50 0 FGAARO COc1cccc(CNC(=O)C2=CC[N@H+](Cc3cccc(OC)c3)CC2)c1 ZINC000064818005 221152793 /nfs/dbraw/zinc/15/27/93/221152793.db2.gz SRYHQQFGIOCCJO-UHFFFAOYSA-N 1 0 366.461 3.152 50 0 FGAARO CCOC(=O)N1CCC([NH2+][C@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000065425865 221217262 /nfs/dbraw/zinc/21/72/62/221217262.db2.gz FQCUVXJURZXCNW-CQSZACIVSA-N 1 0 358.442 3.317 50 0 FGAARO CCOC(=O)N1CCC([NH2+]CC2(c3cccc(F)c3)CCOCC2)CC1 ZINC000065455845 221220125 /nfs/dbraw/zinc/22/01/25/221220125.db2.gz HTMOVHRRPVWQSP-UHFFFAOYSA-N 1 0 364.461 3.084 50 0 FGAARO CC(C)Cn1c2ccccc2nc1CN1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000065453942 221220523 /nfs/dbraw/zinc/22/05/23/221220523.db2.gz RIKSLKLMGRVERX-LJQANCHMSA-N 1 0 370.541 3.113 50 0 FGAARO CCCC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c(C(=O)CCC)c1 ZINC000065739595 221235832 /nfs/dbraw/zinc/23/58/32/221235832.db2.gz AEDUKXINWRSRLC-INIZCTEOSA-N 1 0 364.486 3.146 50 0 in-vitro FGAARO C[NH+](C)CCn1c(=O)c2ccccc2nc1SCc1cccc(F)c1 ZINC000067258705 221249572 /nfs/dbraw/zinc/24/95/72/221249572.db2.gz SBKFXAYXADLDAB-UHFFFAOYSA-N 1 0 357.454 3.390 50 0 FGAARO c1coc([C@@H](Cn2cc(-c3ccc4c(c3)OCCO4)nn2)[NH+]2CCCC2)c1 ZINC000067473029 221255479 /nfs/dbraw/zinc/25/54/79/221255479.db2.gz FLGNBCZGCQANED-QGZVFWFLSA-N 1 0 366.421 3.146 50 0 FGAARO Cc1ccc2[nH]c(CN(C)c3cc([C@H]4CCC[NH2+]C4)nc(C)n3)nc2c1 ZINC000067655117 221266926 /nfs/dbraw/zinc/26/69/26/221266926.db2.gz YQNYFQDIKQCRLO-HNNXBMFYSA-N 1 0 350.470 3.073 50 0 FGAARO Cc1ccnc([C@@H](Nc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)C2CC2)c1 ZINC000067605545 221262847 /nfs/dbraw/zinc/26/28/47/221262847.db2.gz YRHGGUVGGMQCCR-FQEVSTJZSA-N 1 0 372.476 3.451 50 0 FGAARO Cc1nccn1-c1ccccc1CNc1cc([C@H]2CCC[NH2+]C2)nc(C)n1 ZINC000067724495 221276143 /nfs/dbraw/zinc/27/61/43/221276143.db2.gz MPFKPSAGVUPXRN-KRWDZBQOSA-N 1 0 362.481 3.358 50 0 FGAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000067787916 221286096 /nfs/dbraw/zinc/28/60/96/221286096.db2.gz ISZYYTVIJVTMSB-UHFFFAOYSA-N 1 0 374.448 3.325 50 0 FGAARO COc1ccc(OC)c(-c2nc(CN(C)C[C@@H]3CCC[NH2+]C3)c(C)o2)c1 ZINC000067834421 221292922 /nfs/dbraw/zinc/29/29/22/221292922.db2.gz ZIFGCUTWZXMPTP-OAHLLOKOSA-N 1 0 359.470 3.099 50 0 FGAARO O[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067872766 221298316 /nfs/dbraw/zinc/29/83/16/221298316.db2.gz OYUPSBXZKWIDIZ-AZUAARDMSA-N 1 0 362.429 3.314 50 0 FGAARO COc1cc(Cl)cc2cc(C(=O)NCc3cccnc3N(C)C)oc21 ZINC000067919699 221304316 /nfs/dbraw/zinc/30/43/16/221304316.db2.gz LMEOEMSRVHPHAB-UHFFFAOYSA-N 1 0 359.813 3.486 50 0 FGAARO O=C(C[NH+]1CCCC1)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067947167 221308120 /nfs/dbraw/zinc/30/81/20/221308120.db2.gz XLAJVJBSRZASKH-UHFFFAOYSA-N 1 0 356.445 3.018 50 0 FGAARO CCc1[nH]c2ccc(CNC(=O)C[C@H]3C[N@@H+](C(C)C)CCO3)cc2c1C ZINC000071730496 221357243 /nfs/dbraw/zinc/35/72/43/221357243.db2.gz CELBVDPWACPLDH-KRWDZBQOSA-N 1 0 357.498 3.154 50 0 FGAARO CC[C@H]1C[N@H+](CCCn2cc(C)cn2)CCC(=O)N1Cc1ccccc1 ZINC000071747083 221359693 /nfs/dbraw/zinc/35/96/93/221359693.db2.gz ZUAKARMYTOFVCK-FQEVSTJZSA-N 1 0 354.498 3.095 50 0 FGAARO COc1ccc(OC)c(-c2nc(C[NH+]3CCC(C)(CO)CC3)c(C)o2)c1 ZINC000071754014 221365608 /nfs/dbraw/zinc/36/56/08/221365608.db2.gz NEGISYYOPOZWSH-UHFFFAOYSA-N 1 0 360.454 3.262 50 0 FGAARO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000071817185 221379677 /nfs/dbraw/zinc/37/96/77/221379677.db2.gz FVPBYJHUQPEEEU-HXUWFJFHSA-N 1 0 366.509 3.426 50 0 FGAARO Cc1c(NCc2ccccn2)cccc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000071764300 221370856 /nfs/dbraw/zinc/37/08/56/221370856.db2.gz JQCOTWABAHSRFS-QFIPXVFZSA-N 1 0 364.493 3.218 50 0 FGAARO Cc1cc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)n2ncnc2n1 ZINC000071954911 221389735 /nfs/dbraw/zinc/38/97/35/221389735.db2.gz XOFLVYLXIYJMLO-MRXNPFEDSA-N 1 0 350.470 3.419 50 0 FGAARO COc1ccccc1S(=O)(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000072164814 221442158 /nfs/dbraw/zinc/44/21/58/221442158.db2.gz FBDPQHKXOATYKS-INIZCTEOSA-N 1 0 366.527 3.161 50 0 FGAARO CCc1[nH]nc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1C ZINC000072407935 221499568 /nfs/dbraw/zinc/49/95/68/221499568.db2.gz MFGFMBSAAFDOBH-UHFFFAOYSA-N 1 0 354.498 3.061 50 0 FGAARO Cc1cc2nc(C(C)C)cc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)n2n1 ZINC000072428155 221518921 /nfs/dbraw/zinc/51/89/21/221518921.db2.gz JNEZQOMZXNWCBV-KRWDZBQOSA-N 1 0 357.502 3.216 50 0 FGAARO C[NH+](C)CCCn1ccnc1C1CCN(c2ccc3c(n2)CCCC3)CC1 ZINC000095374208 132208779 /nfs/dbraw/zinc/20/87/79/132208779.db2.gz QHTQFOJYVXEOBY-UHFFFAOYSA-N 1 0 367.541 3.493 50 0 FGAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2)CC1 ZINC000000679579 132378141 /nfs/dbraw/zinc/37/81/41/132378141.db2.gz BBSRQPVANJAJLR-UHFFFAOYSA-N 1 0 374.282 3.453 50 0 FGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000000820441 132378762 /nfs/dbraw/zinc/37/87/62/132378762.db2.gz IXMIVJXGIHDUGC-UHFFFAOYSA-N 1 0 369.465 3.098 50 0 FGAARO O=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc2c(c1)CCC2 ZINC000000895131 132379108 /nfs/dbraw/zinc/37/91/08/132379108.db2.gz CPUQBKCDWRCPSX-UHFFFAOYSA-N 1 0 367.468 3.465 50 0 FGAARO O=C(C[NH+]1CCC(c2cccs2)CC1)N1CCN(c2ccccc2)CC1 ZINC000075172427 136150412 /nfs/dbraw/zinc/15/04/12/136150412.db2.gz HQGMDJLUHUAMEG-UHFFFAOYSA-N 1 0 369.534 3.276 50 0 FGAARO O=C(c1ccc(SCCO)cc1)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000077522876 221641734 /nfs/dbraw/zinc/64/17/34/221641734.db2.gz WWIKYAGMRXDQPH-KRWDZBQOSA-N 1 0 362.539 3.109 50 0 FGAARO C[NH+](C)[C@H]1CCN(Cc2cnc(C3CCCCC3)nc2)C[C@H]1CCCO ZINC000091877016 221809858 /nfs/dbraw/zinc/80/98/58/221809858.db2.gz BLMBBKMRMFGSJO-UXHICEINSA-N 1 0 360.546 3.049 50 0 FGAARO c1ccc2oc(N3CCC([NH2+]CCc4noc(C5CCC5)n4)CC3)nc2c1 ZINC000095366237 221867767 /nfs/dbraw/zinc/86/77/67/221867767.db2.gz ICOWYXTUEBUWLN-UHFFFAOYSA-N 1 0 367.453 3.279 50 0 FGAARO Cc1ccc(F)c(NC(=O)N2CCCC[C@H]2CC[NH+]2CCN(C)CC2)c1 ZINC000096138088 222041329 /nfs/dbraw/zinc/04/13/29/222041329.db2.gz QIDZFULNHMTGIV-KRWDZBQOSA-N 1 0 362.493 3.158 50 0 FGAARO COC(=O)c1cc(NC(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)ccc1Cl ZINC000096140324 222043852 /nfs/dbraw/zinc/04/38/52/222043852.db2.gz PDNOITCHFCYRMF-GFCCVEGCSA-N 1 0 365.861 3.217 50 0 FGAARO Cc1cccc(-n2nc(C3(c4ccccc4)CC3)nc2C[C@@H]2C[NH2+]CCO2)c1 ZINC000096147908 222048722 /nfs/dbraw/zinc/04/87/22/222048722.db2.gz SOGFMMBISZLFCG-HXUWFJFHSA-N 1 0 374.488 3.187 50 0 FGAARO CSCCc1nc([C@@H]2CCC[N@@H+]3CCCC[C@H]23)n(-c2ccccn2)n1 ZINC000096150516 222052215 /nfs/dbraw/zinc/05/22/15/222052215.db2.gz VJAKUDVHKOBPLX-HZPDHXFCSA-N 1 0 357.527 3.300 50 0 FGAARO COc1ccccc1Cc1nc(C[C@H]2CCC[N@@H+]2C)n(CC(F)(F)F)n1 ZINC000096151208 222053157 /nfs/dbraw/zinc/05/31/57/222053157.db2.gz CYGOAOWOPIARNQ-CQSZACIVSA-N 1 0 368.403 3.077 50 0 FGAARO O=C(NCC[NH+]1CCCCC1)[C@H](Cc1ccc(O)cc1)c1ccccc1 ZINC000096151711 222053686 /nfs/dbraw/zinc/05/36/86/222053686.db2.gz NGGADQAWXHMCRI-OAQYLSRUSA-N 1 0 352.478 3.321 50 0 FGAARO CCN1CC2(CC[NH+](Cc3[nH]cnc3C)CC2)C[C@H](c2ccccc2)C1=O ZINC000096163094 222063423 /nfs/dbraw/zinc/06/34/23/222063423.db2.gz UOKGGJDBNQCHON-LJQANCHMSA-N 1 0 366.509 3.336 50 0 FGAARO OCc1cc(-c2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)ccc1F ZINC000096165316 222064623 /nfs/dbraw/zinc/06/46/23/222064623.db2.gz GCRPGIBDKFCBSD-SFHVURJKSA-N 1 0 359.441 3.211 50 0 FGAARO CSc1ccc([C@@H](C)[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1F ZINC000097102064 222159383 /nfs/dbraw/zinc/15/93/83/222159383.db2.gz SDJKWYPYEVHAAE-ZBFHGGJFSA-N 1 0 366.502 3.179 50 0 FGAARO Cc1cccc2nc(C(=O)NCC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cn21 ZINC000097425443 222180864 /nfs/dbraw/zinc/18/08/64/222180864.db2.gz LUUHSFBQDRYAOJ-LJQANCHMSA-N 1 0 362.477 3.285 50 0 FGAARO COCCc1nc([C@@H]2CCC[NH2+]CC2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000097632148 222199600 /nfs/dbraw/zinc/19/96/00/222199600.db2.gz MLASRKZWKHVGFB-CYBMUJFWSA-N 1 0 368.403 3.332 50 0 FGAARO CN1CCN([C@@H]2CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C2)CC1 ZINC000097773109 222210655 /nfs/dbraw/zinc/21/06/55/222210655.db2.gz GXTTWWGMTLKJGW-JOCHJYFZSA-N 1 0 365.521 3.087 50 0 FGAARO CN(C)CC[N@H+](C)C1CCN(Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC000097805532 222215179 /nfs/dbraw/zinc/21/51/79/222215179.db2.gz NPEJEOONHZHEDA-UHFFFAOYSA-N 1 0 361.427 3.302 50 0 FGAARO FC(F)(F)c1ccc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1 ZINC000020452610 263380141 /nfs/dbraw/zinc/38/01/41/263380141.db2.gz QBSLUQQKFMNQPX-HNNXBMFYSA-N 1 0 366.387 3.207 50 0 FGAARO [NH3+]CCOc1ccc(CC(=O)N2CCC3(CCc4ccccc43)CC2)cc1 ZINC000426395122 263575417 /nfs/dbraw/zinc/57/54/17/263575417.db2.gz FHVYTROFUURBAX-UHFFFAOYSA-N 1 0 364.489 3.073 50 0 FGAARO Cc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000028287515 493784007 /nfs/dbraw/zinc/78/40/07/493784007.db2.gz VUHRCDUEDYIFPA-FQEVSTJZSA-N 1 0 371.912 3.367 50 0 FGAARO CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000002117358 493801404 /nfs/dbraw/zinc/80/14/04/493801404.db2.gz MZLNIPRGKJJYTC-UHFFFAOYSA-N 1 0 355.434 3.057 50 0 FGAARO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c2ccc(OC)cc2[nH]c1C(=O)OC ZINC000002261319 493804713 /nfs/dbraw/zinc/80/47/13/493804713.db2.gz HFQOIXIMHWRJJQ-ZDUSSCGKSA-N 1 0 373.453 3.166 50 0 FGAARO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[N@@H+]1CCC[C@@H](C)C1 ZINC000002406449 493807711 /nfs/dbraw/zinc/80/77/11/493807711.db2.gz BRGQWBFBKQEXII-CYBMUJFWSA-N 1 0 373.453 3.024 50 0 FGAARO COc1ccc(CC[NH2+]Cc2cc(OC)c(OC)cc2OC)cc1OC ZINC000002768794 493818054 /nfs/dbraw/zinc/81/80/54/493818054.db2.gz KOHBPUXPWPTURG-UHFFFAOYSA-N 1 0 361.438 3.062 50 0 FGAARO CC1(C)CC(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC(C)(C)[NH2+]1 ZINC000002781043 493819085 /nfs/dbraw/zinc/81/90/85/493819085.db2.gz OLYVHBSVGHPJIT-UHFFFAOYSA-N 1 0 372.435 3.205 50 0 FGAARO Cc1cccc(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCC3)c1 ZINC000002966475 493827396 /nfs/dbraw/zinc/82/73/96/493827396.db2.gz NLARUDQQNZHMCF-QFIPXVFZSA-N 1 0 365.453 3.026 50 0 FGAARO COc1ccccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccncc1 ZINC000003049905 493829848 /nfs/dbraw/zinc/82/98/48/493829848.db2.gz NEALEAPOIVNFTI-OAHLLOKOSA-N 1 0 358.511 3.412 50 0 FGAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000003314990 493838150 /nfs/dbraw/zinc/83/81/50/493838150.db2.gz CRKKKGPTQYSXCY-UHFFFAOYSA-N 1 0 358.482 3.376 50 0 FGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(=O)[nH]c2ccccc21 ZINC000003422748 493844819 /nfs/dbraw/zinc/84/48/19/493844819.db2.gz XMAMJSKOJMHDCU-SFHVURJKSA-N 1 0 365.433 3.078 50 0 FGAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000029838685 493860458 /nfs/dbraw/zinc/86/04/58/493860458.db2.gz APECFGFJWVTSOS-UHFFFAOYSA-N 1 0 363.255 3.220 50 0 FGAARO COc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(OC)c1OC ZINC000004029493 493861960 /nfs/dbraw/zinc/86/19/60/493861960.db2.gz QOTCLHZBDMFRSJ-GOEBONIOSA-N 1 0 363.454 3.134 50 0 FGAARO O[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)Cn1ccc(C(F)(F)F)n1 ZINC000004073054 493863116 /nfs/dbraw/zinc/86/31/16/493863116.db2.gz AAHDYZXSWPDJTJ-LBPRGKRZSA-N 1 0 367.293 3.071 50 0 FGAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)Cc3ccccc3)nc21 ZINC000004359258 493874431 /nfs/dbraw/zinc/87/44/31/493874431.db2.gz BECRBJQUOFATDD-UHFFFAOYSA-N 1 0 369.490 3.442 50 0 FGAARO Cc1cc(C)n(-c2ccc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)cc2)n1 ZINC000030362753 493888015 /nfs/dbraw/zinc/88/80/15/493888015.db2.gz USXJKHRTQUQDSL-UHFFFAOYSA-N 1 0 374.488 3.277 50 0 FGAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3cccc(Cl)c3)C2=O)cc1 ZINC000004996547 493906947 /nfs/dbraw/zinc/90/69/47/493906947.db2.gz MQEKTKCHBNFJAJ-QGZVFWFLSA-N 1 0 358.825 3.160 50 0 FGAARO CCOc1cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)ccc1O ZINC000005045691 493910810 /nfs/dbraw/zinc/91/08/10/493910810.db2.gz HKDGEFRDEHONSA-MRXNPFEDSA-N 1 0 360.498 3.261 50 0 FGAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000005215482 493919999 /nfs/dbraw/zinc/91/99/99/493919999.db2.gz SKTUHDBTVWBTLK-UHFFFAOYSA-N 1 0 373.453 3.024 50 0 FGAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Cl)c(OC)c(OC)c1)C(C)C ZINC000031379203 493941614 /nfs/dbraw/zinc/94/16/14/493941614.db2.gz YHGFHZOENLGQJR-HNNXBMFYSA-N 1 0 356.894 3.453 50 0 FGAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc4c(c2)OCO4)N3)C1 ZINC000005977073 493948014 /nfs/dbraw/zinc/94/80/14/493948014.db2.gz UGFIHBNESNXZFS-QGZVFWFLSA-N 1 0 371.462 3.097 50 0 FGAARO C[NH+](C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccccc1 ZINC000006660819 493973019 /nfs/dbraw/zinc/97/30/19/493973019.db2.gz MCBQZXPKGNLOKY-GOSISDBHSA-N 1 0 366.392 3.039 50 0 FGAARO Cc1ncnc(NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)c1C ZINC000082109702 493979591 /nfs/dbraw/zinc/97/95/91/493979591.db2.gz HWGUAVFUMOJVOF-UHFFFAOYSA-N 1 0 354.502 3.440 50 0 FGAARO CCc1nn2c(nc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2=O)s1 ZINC000006846837 493983467 /nfs/dbraw/zinc/98/34/67/493983467.db2.gz BXOVTBQNLHWBLQ-UHFFFAOYSA-N 1 0 368.506 3.168 50 0 FGAARO CC[C@H](CNC(=O)Cc1ccc(OC)c(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000032446670 493990518 /nfs/dbraw/zinc/99/05/18/493990518.db2.gz WQYNAKWYWINCIU-LJQANCHMSA-N 1 0 370.468 3.330 50 0 FGAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C)Cc1sccc1C ZINC000032721086 494007060 /nfs/dbraw/zinc/00/70/60/494007060.db2.gz YEVBZPSWGHGWEY-INIZCTEOSA-N 1 0 363.479 3.139 50 0 FGAARO CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(C)[n+]2C)c1 ZINC000032739631 494011554 /nfs/dbraw/zinc/01/15/54/494011554.db2.gz QVTYPKWKRIPNPX-UHFFFAOYSA-N 1 0 365.458 3.175 50 0 FGAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C1=Cc2ccccc2OC1 ZINC000032762089 494013379 /nfs/dbraw/zinc/01/33/79/494013379.db2.gz XOMZQPKNDIBVHT-QGZVFWFLSA-N 1 0 354.475 3.477 50 0 FGAARO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000032764872 494013489 /nfs/dbraw/zinc/01/34/89/494013489.db2.gz YBVUKNPIBVIJFI-FQEVSTJZSA-N 1 0 365.477 3.167 50 0 FGAARO Cc1ccn2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)nc2c1 ZINC000032762032 494013515 /nfs/dbraw/zinc/01/35/15/494013515.db2.gz KOVQRMXBWCXBMG-INIZCTEOSA-N 1 0 354.479 3.271 50 0 FGAARO CC(C)[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc2c(c1)OCCO2 ZINC000032759525 494013581 /nfs/dbraw/zinc/01/35/81/494013581.db2.gz FJNKOJYSRZWJSK-SFHVURJKSA-N 1 0 371.462 3.014 50 0 FGAARO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccccc1F ZINC000032814191 494018697 /nfs/dbraw/zinc/01/86/97/494018697.db2.gz VRSCSTSZMCLKTC-UHFFFAOYSA-N 1 0 350.459 3.146 50 0 FGAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCOCC1 ZINC000032932823 494030118 /nfs/dbraw/zinc/03/01/18/494030118.db2.gz 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COc1ccc(C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@H](NC(C)=O)C2)cc1OC ZINC000077377133 494069996 /nfs/dbraw/zinc/06/99/96/494069996.db2.gz HWQXFXLNFOFRCW-VQTJNVASSA-N 1 0 368.477 3.116 50 0 FGAARO COCCN1C[C@]2(CCC[N@H+](Cc3cccc(SC)c3)C2)CCC1=O ZINC000077387869 494073443 /nfs/dbraw/zinc/07/34/43/494073443.db2.gz CAGKEOPLTRPZJW-HXUWFJFHSA-N 1 0 362.539 3.260 50 0 FGAARO COc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc(OC)c1 ZINC000077438699 494082777 /nfs/dbraw/zinc/08/27/77/494082777.db2.gz ROJJREWRQXGJDR-NRFANRHFSA-N 1 0 358.482 3.071 50 0 FGAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(N2CCCC2)cc1 ZINC000077454621 494085810 /nfs/dbraw/zinc/08/58/10/494085810.db2.gz MUOXRTPBSPDNSZ-QFIPXVFZSA-N 1 0 363.505 3.416 50 0 FGAARO Cc1nc(-n2cccc2)sc1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036569369 494092558 /nfs/dbraw/zinc/09/25/58/494092558.db2.gz VJENJURUBXAXBH-HZPDHXFCSA-N 1 0 358.511 3.237 50 0 FGAARO COC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000008747867 494103543 /nfs/dbraw/zinc/10/35/43/494103543.db2.gz RLDRZNFCDRBODY-MAUKXSAKSA-N 1 0 373.474 3.040 50 0 FGAARO CC(C)(C)[NH2+]C[C@H](O)c1cc(Br)c(N)c(Br)c1 ZINC000039932965 494123914 /nfs/dbraw/zinc/12/39/14/494123914.db2.gz PLFUBWPEUSILSL-JTQLQIEISA-N 1 0 366.097 3.215 50 0 in-vitro FGAARO Cn1c(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)nc2ccccc21 ZINC000040017214 494126576 /nfs/dbraw/zinc/12/65/76/494126576.db2.gz DOLSMAUOXLARMB-UHFFFAOYSA-N 1 0 362.477 3.489 50 0 FGAARO Cc1ccncc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072121938 494128292 /nfs/dbraw/zinc/12/82/92/494128292.db2.gz DXLNLGMFEREJBM-PWRODBHTSA-N 1 0 365.452 3.232 50 0 FGAARO CCc1cc(N2CCC[N@H+](Cc3ccccc3F)CC2)n2nccc2n1 ZINC000072127479 494129930 /nfs/dbraw/zinc/12/99/30/494129930.db2.gz YZVBRJNPOZFJNA-UHFFFAOYSA-N 1 0 353.445 3.143 50 0 FGAARO CC(C)Nc1ncc(C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)cn1 ZINC000072140380 494132507 /nfs/dbraw/zinc/13/25/07/494132507.db2.gz DKNAVOSBEGTAGF-SFHVURJKSA-N 1 0 359.518 3.071 50 0 FGAARO CC[NH+]1CCN(Cc2ccc(NC(=O)CCOc3ccccc3)cc2)CC1 ZINC000040107960 494132592 /nfs/dbraw/zinc/13/25/92/494132592.db2.gz FIEHKJDZRBNVFN-UHFFFAOYSA-N 1 0 367.493 3.232 50 0 FGAARO Cc1cc(C)n(CC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)n1 ZINC000040107148 494133095 /nfs/dbraw/zinc/13/30/95/494133095.db2.gz GLKSYPOLJKVLRC-QGZVFWFLSA-N 1 0 354.498 3.191 50 0 FGAARO COc1ccc2n[nH]c(CN3CC[NH+](Cc4ccccc4C)CC3)c2c1 ZINC000072144363 494133514 /nfs/dbraw/zinc/13/35/14/494133514.db2.gz SRZPZOKMSROEFB-UHFFFAOYSA-N 1 0 350.466 3.198 50 0 FGAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3ccccc3OCCn3ccnc3)C2)n1 ZINC000072145605 494133757 /nfs/dbraw/zinc/13/37/57/494133757.db2.gz VWHVROOQACVXHK-HXUWFJFHSA-N 1 0 365.481 3.222 50 0 FGAARO O=C(NCC[NH+]1CCCC1)c1csc(Nc2ccccc2Cl)n1 ZINC000009846058 494134295 /nfs/dbraw/zinc/13/42/95/494134295.db2.gz YDWXRTWHWUJSFM-UHFFFAOYSA-N 1 0 350.875 3.366 50 0 FGAARO O=C(c1cccc(Cn2cccn2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000072149526 494134860 /nfs/dbraw/zinc/13/48/60/494134860.db2.gz 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Cc1c(C[N@@H+]2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)cnn1C ZINC000072168648 494141397 /nfs/dbraw/zinc/14/13/97/494141397.db2.gz OGWYMUGKWRBRGB-YPAWHYETSA-N 1 0 350.510 3.099 50 0 FGAARO CCn1cc(C[N@@H+]2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072167035 494142083 /nfs/dbraw/zinc/14/20/83/494142083.db2.gz BJOONGZGDMNSEL-YPAWHYETSA-N 1 0 350.510 3.274 50 0 FGAARO CC(C)Cn1cncc1C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 ZINC000072173722 494142894 /nfs/dbraw/zinc/14/28/94/494142894.db2.gz WKIJPNYGKLOCNI-QGZVFWFLSA-N 1 0 356.470 3.344 50 0 FGAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCC[C@]2(CNC(=O)O2)CC1 ZINC000072172850 494143149 /nfs/dbraw/zinc/14/31/49/494143149.db2.gz ZKWVTYAVJVNIJY-HXUWFJFHSA-N 1 0 355.438 3.423 50 0 FGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)C=C(C)C)C2)cc1OC ZINC000072174321 494144145 /nfs/dbraw/zinc/14/41/45/494144145.db2.gz VDNWHVBEHXZRPR-GOSISDBHSA-N 1 0 360.498 3.135 50 0 FGAARO CCOC(=O)c1cc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cn1C ZINC000072304380 494150163 /nfs/dbraw/zinc/15/01/63/494150163.db2.gz CCAMJRSRUVGTFX-UHFFFAOYSA-N 1 0 355.438 3.050 50 0 FGAARO O=C1CC[C@H]2C[N@H+](CCC(F)(F)F)CC[C@H]2N1CCc1ccccc1 ZINC000072419280 494168265 /nfs/dbraw/zinc/16/82/65/494168265.db2.gz SGJXLKJXUIJGPX-DLBZAZTESA-N 1 0 354.416 3.494 50 0 FGAARO O=C1CC[C@H]2C[N@@H+](Cc3cc4ccccc4o3)CC[C@H]2N1CCCCO ZINC000072427916 494171356 /nfs/dbraw/zinc/17/13/56/494171356.db2.gz BRXFNLWBCQANME-PKOBYXMFSA-N 1 0 356.466 3.018 50 0 FGAARO Cn1cc(C[N@H+](C)CCC2CCOCC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000072432942 494173979 /nfs/dbraw/zinc/17/39/79/494173979.db2.gz DVTJNSLQQORJAF-UHFFFAOYSA-N 1 0 371.481 3.107 50 0 FGAARO C[C@H](C1CCN(C(=O)c2ccc3sccc3c2)CC1)[NH+]1CCOCC1 ZINC000072435206 494174698 /nfs/dbraw/zinc/17/46/98/494174698.db2.gz SNLYIBQTFKNCAY-OAHLLOKOSA-N 1 0 358.507 3.474 50 0 FGAARO C[NH+]1CCN(Cc2cc3cc4c(cc3nc2-c2cccs2)OCO4)CC1 ZINC000072470539 494178447 /nfs/dbraw/zinc/17/84/47/494178447.db2.gz VSMYTLPLAWTWLD-UHFFFAOYSA-N 1 0 367.474 3.439 50 0 FGAARO O=C(NCc1ccco1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072468602 494178541 /nfs/dbraw/zinc/17/85/41/494178541.db2.gz BMDAIUSUQFERMJ-XUVXKRRUSA-N 1 0 369.440 3.191 50 0 FGAARO COc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1Cn1cncn1 ZINC000072472844 494179052 /nfs/dbraw/zinc/17/90/52/494179052.db2.gz FVHINTNGGCYFGI-QGZVFWFLSA-N 1 0 366.440 3.464 50 0 FGAARO c1ccc2c(c1)c(NCCC[NH+]1CCCC1)nnc2-c1nnc(C2CC2)o1 ZINC000065258229 494183084 /nfs/dbraw/zinc/18/30/84/494183084.db2.gz FXKNFAGOORUOAX-UHFFFAOYSA-N 1 0 364.453 3.455 50 0 FGAARO CC(C)c1nnsc1C(=O)N(C)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072481394 494183616 /nfs/dbraw/zinc/18/36/16/494183616.db2.gz FCDLBGZWMPXFBE-QGZVFWFLSA-N 1 0 372.538 3.441 50 0 FGAARO CC(C)CCNC(=O)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255724 494183734 /nfs/dbraw/zinc/18/37/34/494183734.db2.gz IGQYFTRIBGYQNS-IBGZPJMESA-N 1 0 352.482 3.008 50 0 FGAARO c1c2ccccc2[nH]c1CNc1nc(-c2ccncc2)nc2c1CC[NH2+]CC2 ZINC000072481398 494183895 /nfs/dbraw/zinc/18/38/95/494183895.db2.gz YODFKYFBTXZGNX-UHFFFAOYSA-N 1 0 370.460 3.320 50 0 FGAARO CC[NH+](CC)CCCNC(=O)c1cn2ccnc(-c3ccc(C)cc3)c2n1 ZINC000065274553 494185121 /nfs/dbraw/zinc/18/51/21/494185121.db2.gz XTQPOMXOFNKNDD-UHFFFAOYSA-N 1 0 365.481 3.166 50 0 FGAARO Cn1cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(-c2ccccc2F)n1 ZINC000011661398 494185236 /nfs/dbraw/zinc/18/52/36/494185236.db2.gz QIGQYIHJMBKWLH-UHFFFAOYSA-N 1 0 370.472 3.061 50 0 FGAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cnn(C)c3C)C2)cc1 ZINC000011838814 494193491 /nfs/dbraw/zinc/19/34/91/494193491.db2.gz WXOPLZPIBVMZNR-HXUWFJFHSA-N 1 0 370.541 3.124 50 0 FGAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000011853276 494193693 /nfs/dbraw/zinc/19/36/93/494193693.db2.gz SROHEGRWSAZQKT-UHFFFAOYSA-N 1 0 357.885 3.282 50 0 FGAARO Cc1nnc(SCC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)s1 ZINC000011873469 494195151 /nfs/dbraw/zinc/19/51/51/494195151.db2.gz STEBQMVRNGXZGC-OAHLLOKOSA-N 1 0 368.572 3.100 50 0 FGAARO CC(C)CC[C@]1(C2CC[NH+](Cc3ccc(F)cc3)CC2)NC(=O)NC1=O ZINC000012099091 494203470 /nfs/dbraw/zinc/20/34/70/494203470.db2.gz QURDSWWGUJONHX-HXUWFJFHSA-N 1 0 361.461 3.052 50 0 FGAARO CC(C)=CCC[C@H](C)C[NH+]1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 ZINC000012167948 494210685 /nfs/dbraw/zinc/21/06/85/494210685.db2.gz HIOPHGUVJBYWMS-INIZCTEOSA-N 1 0 359.518 3.190 50 0 FGAARO O=C(NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1)c1cccc(F)c1 ZINC000012197175 494212495 /nfs/dbraw/zinc/21/24/95/494212495.db2.gz YSDRAJQONVPEAR-QGZVFWFLSA-N 1 0 356.397 3.121 50 0 FGAARO Fc1ccccc1C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000012244128 494217016 /nfs/dbraw/zinc/21/70/16/494217016.db2.gz OVASXPGJNXQELK-UHFFFAOYSA-N 1 0 350.441 3.261 50 0 FGAARO Cc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cnc(C)nc4)C3)C2=O)c1 ZINC000012299207 494220270 /nfs/dbraw/zinc/22/02/70/494220270.db2.gz PYTRFPXOJRNBLN-JOCHJYFZSA-N 1 0 364.493 3.108 50 0 FGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(Cc4ncc[nH]4)C3)C2)c1 ZINC000012306249 494221994 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C[C@H]1CCc2c(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)csc2C1 ZINC000014520383 494320114 /nfs/dbraw/zinc/32/01/14/494320114.db2.gz WXFWQSHEXCINQT-AWEZNQCLSA-N 1 0 370.522 3.272 50 0 FGAARO Cc1ccccc1C[NH+]1CCC(C(=O)NCCN(C)c2ccccc2)CC1 ZINC000044916782 494388382 /nfs/dbraw/zinc/38/83/82/494388382.db2.gz JZRLIPYTCIOUES-UHFFFAOYSA-N 1 0 365.521 3.460 50 0 FGAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000089941281 494408710 /nfs/dbraw/zinc/40/87/10/494408710.db2.gz XFUUFLNXNPBKKH-FUHWJXTLSA-N 1 0 356.491 3.211 50 0 FGAARO Cc1ccc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c(C)c1 ZINC000023129905 494551554 /nfs/dbraw/zinc/55/15/54/494551554.db2.gz KBRWDVRVBNBAQB-QFIPXVFZSA-N 1 0 353.510 3.076 50 0 FGAARO COc1ccc(Cl)c(-c2nc3c[nH]n(C4CC[NH+](C)CC4)c-3n2)c1F ZINC000023619984 494572937 /nfs/dbraw/zinc/57/29/37/494572937.db2.gz MVDHBZSGXBHKMK-UHFFFAOYSA-N 1 0 363.824 3.494 50 0 FGAARO CCc1nc(C)sc1C[N@H+]1C[C@@H](c2ccc(OC)cc2)[C@H](NC(C)=O)C1 ZINC000091425824 494595764 /nfs/dbraw/zinc/59/57/64/494595764.db2.gz RNQZSPNFISVOHT-PKOBYXMFSA-N 1 0 373.522 3.127 50 0 FGAARO Cc1c2ccc(C)cc2oc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000091636903 494637256 /nfs/dbraw/zinc/63/72/56/494637256.db2.gz QEWLAVBKLZFAIQ-KRWDZBQOSA-N 1 0 356.466 3.423 50 0 FGAARO C[NH+](C)[C@H]1CCN(c2nc3ccc(Cl)cc3s2)C[C@H]1CCCO ZINC000091713918 494656785 /nfs/dbraw/zinc/65/67/85/494656785.db2.gz HIQHYFKIIVWTIG-DOMZBBRYSA-N 1 0 353.919 3.479 50 0 FGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCC(F)(F)F)C3)cc1 ZINC000091780884 494677146 /nfs/dbraw/zinc/67/71/46/494677146.db2.gz UUXOZDXXQBVTLX-JKSUJKDBSA-N 1 0 370.415 3.461 50 0 FGAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000091809094 494687493 /nfs/dbraw/zinc/68/74/93/494687493.db2.gz JYMMFEODUQESGW-SFHVURJKSA-N 1 0 369.509 3.420 50 0 FGAARO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]Cc1cccc(O)c1 ZINC000075108068 494691334 /nfs/dbraw/zinc/69/13/34/494691334.db2.gz ITPAOCWCDCEOHH-XJKSGUPXSA-N 1 0 350.459 3.242 50 0 FGAARO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@H+]2CCSc2ccccc2)C1 ZINC000091820109 494691361 /nfs/dbraw/zinc/69/13/61/494691361.db2.gz CFJJIRBPIAPTME-QZTJIDSGSA-N 1 0 367.518 3.410 50 0 FGAARO O=C(Nc1cccc(Oc2cnccn2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000075118294 494695668 /nfs/dbraw/zinc/69/56/68/494695668.db2.gz LSWQZOKINSBPIO-QGZVFWFLSA-N 1 0 367.453 3.361 50 0 FGAARO COc1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)cc1OC(F)F ZINC000025261840 494713571 /nfs/dbraw/zinc/71/35/71/494713571.db2.gz AVZQUBJWLSVQKI-ZDUSSCGKSA-N 1 0 351.349 3.226 50 0 FGAARO COc1ccc(C2(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4C)C3)CCCC2)cc1OC ZINC000091892852 494716326 /nfs/dbraw/zinc/71/63/26/494716326.db2.gz HWEXMXACRLDGCC-SJLPKXTDSA-N 1 0 372.509 3.068 50 0 FGAARO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)ccc1O)c1ccsc1 ZINC000025330096 494724182 /nfs/dbraw/zinc/72/41/82/494724182.db2.gz CLUMDIWZFNHCGH-ZDUSSCGKSA-N 1 0 369.284 3.249 50 0 FGAARO C[NH+](C)[C@H](CNC(=O)Cc1csc(-c2ccco2)n1)c1ccsc1 ZINC000025332295 494725922 /nfs/dbraw/zinc/72/59/22/494725922.db2.gz IGVILSDGCQUFOD-CQSZACIVSA-N 1 0 361.492 3.426 50 0 FGAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCCn3ccnc3)cc2)C1 ZINC000047597345 494742831 /nfs/dbraw/zinc/74/28/31/494742831.db2.gz ODDJOOYCWWXGOG-SFHVURJKSA-N 1 0 369.513 3.005 50 0 FGAARO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)o1 ZINC000091997259 494747468 /nfs/dbraw/zinc/74/74/68/494747468.db2.gz JTOPGFUKRGPEAI-NRFANRHFSA-N 1 0 368.481 3.091 50 0 FGAARO CCn1ccnc1[C@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000092003462 494749299 /nfs/dbraw/zinc/74/92/99/494749299.db2.gz NWQREOTYNOCWRJ-FQEVSTJZSA-N 1 0 366.509 3.057 50 0 FGAARO O=c1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)nc2ccc(Cl)cn12 ZINC000025680174 494769262 /nfs/dbraw/zinc/76/92/62/494769262.db2.gz CEUKDWWZVNGWII-UHFFFAOYSA-N 1 0 367.836 3.343 50 0 FGAARO Cc1c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cnn1-c1ccccc1 ZINC000025813912 494780233 /nfs/dbraw/zinc/78/02/33/494780233.db2.gz HBWCANAFWRCBJA-SFHVURJKSA-N 1 0 354.479 3.275 50 0 FGAARO CCN1CC[C@@]2(C[N@H+](Cc3oc4ccccc4c3C)CCN2C)CCC1=O ZINC000092078142 494781626 /nfs/dbraw/zinc/78/16/26/494781626.db2.gz VJZFALQXDNYTNO-JOCHJYFZSA-N 1 0 369.509 3.260 50 0 FGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3ccc(C)o3)cc1)C2 ZINC000092099032 494789854 /nfs/dbraw/zinc/78/98/54/494789854.db2.gz SGXSBMQZZOKUDU-YLJYHZDGSA-N 1 0 368.477 3.438 50 0 FGAARO O=C(CCc1nc2ccccc2[nH]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026456994 494825726 /nfs/dbraw/zinc/82/57/26/494825726.db2.gz NZTADGFUBVOOTM-UHFFFAOYSA-N 1 0 362.477 3.276 50 0 FGAARO Cc1ccccc1C[NH+]1CCN([C@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000027535793 494871701 /nfs/dbraw/zinc/87/17/01/494871701.db2.gz KEFIWEHICZFXMP-MRXNPFEDSA-N 1 0 373.447 3.418 50 0 FGAARO COc1ccc(-c2cc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)on2)cc1 ZINC000095354446 494961463 /nfs/dbraw/zinc/96/14/63/494961463.db2.gz DHDZVRIUOZBBRE-MRXNPFEDSA-N 1 0 357.454 3.231 50 0 FGAARO CCc1nc2ccccc2n1[C@H](CC)C(=O)NCCNc1cc[nH+]cc1C ZINC000095358358 494962568 /nfs/dbraw/zinc/96/25/68/494962568.db2.gz WBGJLJFVCJUPAT-GOSISDBHSA-N 1 0 365.481 3.482 50 0 FGAARO CC[NH+]1CCC(CC(=O)N2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)CC1 ZINC000095361081 494963488 /nfs/dbraw/zinc/96/34/88/494963488.db2.gz SLQXREXWZHGTRH-SFHVURJKSA-N 1 0 358.461 3.488 50 0 FGAARO Cc1nn(C)cc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000095362649 494964513 /nfs/dbraw/zinc/96/45/13/494964513.db2.gz WVCHSZSKTHTPNH-LJQANCHMSA-N 1 0 366.509 3.070 50 0 FGAARO CCC(C)(C)C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095368437 494966944 /nfs/dbraw/zinc/96/69/44/494966944.db2.gz GRCWNSLAJOUXAB-PWIZWCRZSA-N 1 0 370.493 3.240 50 0 FGAARO COCCCCCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095379030 494969432 /nfs/dbraw/zinc/96/94/32/494969432.db2.gz AVDIFRXOROTYEL-KSEOMHKRSA-N 1 0 374.500 3.421 50 0 FGAARO COc1ccc([C@@H]2CN(C(=O)CCc3ccsc3)C[C@H]2[NH+](C)C)cc1 ZINC000095386253 494971957 /nfs/dbraw/zinc/97/19/57/494971957.db2.gz LOOPTVLYTGEFKS-RBUKOAKNSA-N 1 0 358.507 3.246 50 0 FGAARO CSc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000095501039 494981149 /nfs/dbraw/zinc/98/11/49/494981149.db2.gz CLLXOUCQHKLIOU-DOTOQJQBSA-N 1 0 373.547 3.488 50 0 FGAARO COC(=O)C1=NOC2(C1)CC[NH+](Cc1cc3ccccc3nc1Cl)CC2 ZINC000096012852 494996500 /nfs/dbraw/zinc/99/65/00/494996500.db2.gz FEVMOQLSNAYUJE-UHFFFAOYSA-N 1 0 373.840 3.172 50 0 FGAARO O=C(/C=C\c1c(Cl)cccc1Cl)NCCCC[NH+]1CCOCC1 ZINC000096401625 495011437 /nfs/dbraw/zinc/01/14/37/495011437.db2.gz MSAPNLFSQWCUPC-SREVYHEPSA-N 1 0 357.281 3.235 50 0 FGAARO C[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)C1 ZINC000133946114 495084657 /nfs/dbraw/zinc/08/46/57/495084657.db2.gz YCCQJFICXYTMFY-AWEZNQCLSA-N 1 0 366.387 3.024 50 0 FGAARO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000136203676 495363957 /nfs/dbraw/zinc/36/39/57/495363957.db2.gz JELRFAMUMVWTAX-MRXNPFEDSA-N 1 0 369.387 3.264 50 0 FGAARO CC(C)(C)c1ncc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)s1 ZINC000172246825 496227787 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CC[NH+](CC)[C@H](CNC(=O)c1cnc2c(c1)c(C)nn2C)c1ccsc1 ZINC000029415237 493837446 /nfs/dbraw/zinc/83/74/46/493837446.db2.gz POXXYTVKCBBOMU-QGZVFWFLSA-N 1 0 371.510 3.151 50 0 FGAARO CCOC(=O)c1ccccc1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029483266 493840334 /nfs/dbraw/zinc/84/03/34/493840334.db2.gz CMHLQRXQSLVVNC-IBGZPJMESA-N 1 0 352.434 3.421 50 0 FGAARO COc1ccccc1N1CCN(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 ZINC000004140873 493866593 /nfs/dbraw/zinc/86/65/93/493866593.db2.gz HGIWURKGWWERTO-JQVVWYNYSA-N 1 0 369.553 3.470 50 0 FGAARO CCCOc1cc(Cl)c(C[NH2+]CCCN2CCOCC2)cc1OCC ZINC000004670856 493886010 /nfs/dbraw/zinc/88/60/10/493886010.db2.gz MNVNSCGQJIPKBT-UHFFFAOYSA-N 1 0 370.921 3.339 50 0 FGAARO C[NH2+]Cc1cc(I)c(OC2CCCC2)c(OC)c1 ZINC000004811215 493892881 /nfs/dbraw/zinc/89/28/81/493892881.db2.gz AIXVVNSIIBWTBH-UHFFFAOYSA-N 1 0 361.223 3.341 50 0 FGAARO CCOc1cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)ccc1O ZINC000005045689 493911006 /nfs/dbraw/zinc/91/10/06/493911006.db2.gz 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C[C@@H](CNC(=O)N(CCc1ccc(Cl)cc1)Cc1cccnc1)[NH+](C)C ZINC000534674593 504212046 /nfs/dbraw/zinc/21/20/46/504212046.db2.gz HGYUJNISZGMEBE-INIZCTEOSA-N 1 0 374.916 3.439 50 0 FGAARO C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)C1CC(F)(F)C1 ZINC000529545516 504724164 /nfs/dbraw/zinc/72/41/64/504724164.db2.gz SCLPJBOQTYZBBI-CQSZACIVSA-N 1 0 372.481 3.136 50 0 FGAARO Cc1nn(Cc2ccccc2)c(C)c1-c1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000584891280 507558306 /nfs/dbraw/zinc/55/83/06/507558306.db2.gz AZGGLBMWGMHIAO-NRFANRHFSA-N 1 0 374.488 3.388 50 0 FGAARO CCOC(=O)N1CCC(N2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 ZINC000584904426 507565298 /nfs/dbraw/zinc/56/52/98/507565298.db2.gz XMHLNBYSHPVRPQ-PMACEKPBSA-N 1 0 363.546 3.336 50 0 FGAARO CC(C)=CC[N@@H+]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1CCO ZINC000020453960 519425930 /nfs/dbraw/zinc/42/59/30/519425930.db2.gz SZPDCCRGRCIYDA-FQEVSTJZSA-N 1 0 372.488 3.051 50 0 FGAARO CC(C)Cc1cc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)n(C)n1 ZINC000082146694 519428969 /nfs/dbraw/zinc/42/89/69/519428969.db2.gz WTDMPUMRUOFNIC-UHFFFAOYSA-N 1 0 368.525 3.012 50 0 FGAARO CC(C)CNc1nc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cs1 ZINC000079190659 519749834 /nfs/dbraw/zinc/74/98/34/519749834.db2.gz QNWLFFXUMBKWOL-GOEBONIOSA-N 1 0 350.532 3.205 50 0 FGAARO Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)o1 ZINC000299801658 534530110 /nfs/dbraw/zinc/53/01/10/534530110.db2.gz XSLLDBYFLWGLQT-HKUYNNGSSA-N 1 0 354.385 3.023 50 0 FGAARO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Br)cc(OC)c1OC ZINC000020968340 521638867 /nfs/dbraw/zinc/63/88/67/521638867.db2.gz LAVBMQNLNQAOGQ-CQSZACIVSA-N 1 0 357.292 3.040 50 0 FGAARO COCCn1cncc1C[N@@H+]1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091487001 522141368 /nfs/dbraw/zinc/14/13/68/522141368.db2.gz UVPLTCJHVVWJJM-OAQYLSRUSA-N 1 0 371.481 3.103 50 0 FGAARO COc1cc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)ccc1F ZINC000020996606 522380337 /nfs/dbraw/zinc/38/03/37/522380337.db2.gz MPOVRIQAFAHQLA-FQEVSTJZSA-N 1 0 372.484 3.212 50 0 FGAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](CCc2ccccc2)CC1 ZINC000082127611 523188292 /nfs/dbraw/zinc/18/82/92/523188292.db2.gz UVKAEXWCONBBHY-UHFFFAOYSA-N 1 0 367.541 3.316 50 0 FGAARO C[NH+]1CCC(n2nc(Cc3cccc(Cl)c3)nc2Cn2ccnc2)CC1 ZINC000091550638 523786014 /nfs/dbraw/zinc/78/60/14/523786014.db2.gz GNUDBHFOGOKJMP-UHFFFAOYSA-N 1 0 370.888 3.034 50 0 FGAARO Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@H]2C[NH+]2CCCCC2)c1C ZINC000247877286 524179783 /nfs/dbraw/zinc/17/97/83/524179783.db2.gz PKZURFJEPBCFTR-SFTDATJTSA-N 1 0 360.542 3.302 50 0 FGAARO Cc1cccc(N2CC[NH+](CCC(=O)N(C)[C@H](C)c3ccncc3)CC2)c1 ZINC000081021558 524554156 /nfs/dbraw/zinc/55/41/56/524554156.db2.gz ZPFKPDDTEUVVOV-LJQANCHMSA-N 1 0 366.509 3.122 50 0 FGAARO Cn1ccnc1SCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299755125 534796506 /nfs/dbraw/zinc/79/65/06/534796506.db2.gz AHONUPBWHZASOU-SFHVURJKSA-N 1 0 372.538 3.246 50 0 FGAARO Cc1cc(CCC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000156302471 524633489 /nfs/dbraw/zinc/63/34/89/524633489.db2.gz CSORNMKDNFIFPS-UKRRQHHQSA-N 1 0 353.304 3.276 50 0 FGAARO C[C@@H]1C[C@@H](NC(=O)COc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000079024603 525252553 /nfs/dbraw/zinc/25/25/53/525252553.db2.gz FOWPIOQGJMJIDA-AEFFLSMTSA-N 1 0 356.441 3.374 50 0 FGAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)Nc1cccc(F)c1 ZINC000082083155 526645262 /nfs/dbraw/zinc/64/52/62/526645262.db2.gz LJDWNTHZEMVISW-UHFFFAOYSA-N 1 0 371.460 3.492 50 0 FGAARO O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)N[C@H]1CCOc2ccccc21 ZINC000240912247 526759287 /nfs/dbraw/zinc/75/92/87/526759287.db2.gz IWUMTLKBWMBLAK-ICSRJNTNSA-N 1 0 368.452 3.473 50 0 FGAARO Clc1cccc(-c2ccnc(NCc3cc4n(n3)CCC[NH2+]C4)n2)c1 ZINC000082137430 526971843 /nfs/dbraw/zinc/97/18/43/526971843.db2.gz HIGCJAROROJTKE-UHFFFAOYSA-N 1 0 354.845 3.099 50 0 FGAARO Cc1nnc([C@H]2CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)[nH]1 ZINC000216498899 527076549 /nfs/dbraw/zinc/07/65/49/527076549.db2.gz HMCMVUYLUNOQRS-SFHVURJKSA-N 1 0 363.465 3.467 50 0 FGAARO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)Cc2cnc(C)s2)CC1 ZINC000058265613 535754691 /nfs/dbraw/zinc/75/46/91/535754691.db2.gz YSNYJFWIJHRKQC-UHFFFAOYSA-N 1 0 373.526 3.257 50 0 FGAARO CC[NH+]1CCC(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 ZINC000047432270 570888044 /nfs/dbraw/zinc/88/80/44/570888044.db2.gz YPJBICHKKZSVBR-UHFFFAOYSA-N 1 0 366.509 3.491 50 0 FGAARO Cc1cc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)nn1-c1ccccc1 ZINC000108396183 570906686 /nfs/dbraw/zinc/90/66/86/570906686.db2.gz SLOWJPDMPKBJPM-UHFFFAOYSA-N 1 0 354.498 3.375 50 0 FGAARO CC(=O)Nc1ccc(C[NH2+]CC[C@](O)(c2ccc(C)o2)C(F)(F)F)cc1 ZINC000048040576 570933632 /nfs/dbraw/zinc/93/36/32/570933632.db2.gz XCVFGIZLKXVRCL-KRWDZBQOSA-N 1 0 370.371 3.476 50 0 FGAARO CC1(C)CN(Cc2nnc(-c3ccco3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000078516913 571141549 /nfs/dbraw/zinc/14/15/49/571141549.db2.gz VTJDOJOMKURFCP-UHFFFAOYSA-N 1 0 352.438 3.426 50 0 FGAARO COc1cccc2ccc(CN3CC[N@H+](C4CCCC4)[C@H](CCO)C3)nc21 ZINC000039364488 571142205 /nfs/dbraw/zinc/14/22/05/571142205.db2.gz IMYRBJQKZOPMCP-HXUWFJFHSA-N 1 0 369.509 3.055 50 0 FGAARO O[C@@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)c1ccncc1 ZINC000090709027 571186617 /nfs/dbraw/zinc/18/66/17/571186617.db2.gz UKHWODDRCMWBAA-CVEARBPZSA-N 1 0 363.255 3.381 50 0 FGAARO Cc1cnc(C)c(-c2cccc(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)c2)n1 ZINC000426383144 571217709 /nfs/dbraw/zinc/21/77/09/571217709.db2.gz RASPTMTUACMGTN-MRXNPFEDSA-N 1 0 364.493 3.459 50 0 FGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2ccc(O)c(OC)c2)c1 ZINC000426414814 571222362 /nfs/dbraw/zinc/22/23/62/571222362.db2.gz VHKJQJVSSSJLGB-SFHVURJKSA-N 1 0 354.450 3.282 50 0 FGAARO CCNc1ncc(CN2CCC([N@H+](CC)Cc3ccccc3)CC2)cn1 ZINC000670452760 571353166 /nfs/dbraw/zinc/35/31/66/571353166.db2.gz OPGJNTLZWOCAFT-UHFFFAOYSA-N 1 0 353.514 3.395 50 0 FGAARO