smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCNCc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000011770575 204352746 /nfs/dbraw/zinc/35/27/46/204352746.db2.gz LLHQEFNWAHXMIC-FQEVSTJZSA-N 2 0 397.991 2.997 50 0 GFAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cnc4ccccn34)C2)CC1 ZINC000012206928 204383943 /nfs/dbraw/zinc/38/39/43/204383943.db2.gz QLIGSTKVJZSKMJ-GOSISDBHSA-N 2 0 383.540 2.535 50 0 GFAARP C[NH+]1CCC(N2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CCO)CC1 ZINC000020211877 570247950 /nfs/dbraw/zinc/24/79/50/570247950.db2.gz BTCZTEWQZFUVRI-IBGZPJMESA-N 2 0 385.474 2.668 50 0 GFAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C2CSCCSC2)CC1 ZINC000012372825 570648313 /nfs/dbraw/zinc/64/83/13/570648313.db2.gz CMLVPYQADPGLOC-GOSISDBHSA-N 2 0 399.670 2.928 50 0 GFAARP COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1cccc(Cl)c1 ZINC000013733096 570783538 /nfs/dbraw/zinc/78/35/38/570783538.db2.gz PEBJNLDINFYSHJ-UHFFFAOYSA-N 2 0 378.900 2.989 50 0 GFAARP CC[N@H+](CCO)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095504990 571078032 /nfs/dbraw/zinc/07/80/32/571078032.db2.gz MAXXHYQLGWVKAF-LJQANCHMSA-N 2 0 384.948 2.770 50 0 GFAARP COC1CC[NH+](Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095517685 571084589 /nfs/dbraw/zinc/08/45/89/571084589.db2.gz WBQQPSNMCKBAMC-FQEVSTJZSA-N 2 0 376.541 2.913 50 0 GFAARP O[C@@H](COc1ccccc1C[N@@H+]1CCCOCC1)C[NH+]1CCc2ccccc2C1 ZINC000095518441 571085621 /nfs/dbraw/zinc/08/56/21/571085621.db2.gz WGFDCDJVQORVMH-HSZRJFAPSA-N 2 0 396.531 2.707 50 0 GFAARP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 ZINC000048712894 205123766 /nfs/dbraw/zinc/12/37/66/205123766.db2.gz LEQXQAKXZGBTSM-HNNXBMFYSA-N 2 0 391.510 2.883 50 0 GFAARP c1ccc(C[N@@H+]2CC[C@H](Nc3nc(-c4cccnc4)nc4c3CC[NH2+]C4)C2)cc1 ZINC000067756058 205258439 /nfs/dbraw/zinc/25/84/39/205258439.db2.gz VWGFECMCMZNOTD-IBGZPJMESA-N 2 0 386.503 2.871 50 0 GFAARP Cc1cccnc1CN(Cc1ccccc1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072129588 205306148 /nfs/dbraw/zinc/30/61/48/205306148.db2.gz UIFIEJOASRGUDM-FQEVSTJZSA-N 2 0 378.520 2.651 50 0 GFAARP COc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cc(C)[nH+]c(N)n4)C3)C2)c1OC ZINC000072143123 205310840 /nfs/dbraw/zinc/31/08/40/205310840.db2.gz YQZQCLNUFALWCM-QFIPXVFZSA-N 2 0 397.523 2.877 50 0 GFAARP C[N@@H+]1C[C@@H]2C[C@H]1CN2c1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072425177 205348539 /nfs/dbraw/zinc/34/85/39/205348539.db2.gz XLDNUETXCXEEFZ-HOTGVXAUSA-N 2 0 383.927 2.692 50 0 GFAARP Cc1cc(N2CCC([NH2+]CCCN3CCCc4ccccc43)CC2)nc(N)[nH+]1 ZINC000095382829 136178765 /nfs/dbraw/zinc/17/87/65/136178765.db2.gz OSQYCWKFFASGRO-UHFFFAOYSA-N 2 0 380.540 2.769 50 0 GFAARP CCc1cc(N2CCC([NH2+][C@H](C)Cc3cccc(C)n3)CC2)nc(N(C)C)[nH+]1 ZINC000095527712 136181694 /nfs/dbraw/zinc/18/16/94/136181694.db2.gz ISTAGTAHLBQAGI-QGZVFWFLSA-N 2 0 382.556 2.998 50 0 GFAARP CC(C)[NH+]1CCC(N2CCN(c3cc[nH+]c4ccccc43)C[C@H]2CCO)CC1 ZINC000106958437 535156161 /nfs/dbraw/zinc/15/61/61/535156161.db2.gz XQDOJYOODDBRNL-HXUWFJFHSA-N 2 0 382.552 2.981 50 0 GFAARP CCn1nc(C)c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1C ZINC000237036180 570324809 /nfs/dbraw/zinc/32/48/09/570324809.db2.gz JPQXQPPSYLEDRU-HXUWFJFHSA-N 2 0 383.540 2.507 50 0 GFAARP [NH3+]Cc1cn(CC2CC[NH+](Cc3ccc([C@H]4CCCCO4)s3)CC2)nn1 ZINC000023430873 570362528 /nfs/dbraw/zinc/36/25/28/570362528.db2.gz AEOPRKZXOIGBHO-GOSISDBHSA-N 2 0 375.542 2.952 50 0 GFAARP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000006906536 570697853 /nfs/dbraw/zinc/69/78/53/570697853.db2.gz HTNPAIRIGRDVHR-HXUWFJFHSA-N 2 0 384.520 2.835 50 0 GFAARP Cc1nc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257315 570755786 /nfs/dbraw/zinc/75/57/86/570755786.db2.gz XYPDAKCIWMKMJX-UHFFFAOYSA-N 2 0 387.572 2.857 50 0 GFAARP CC[NH+](CC)CC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000014965953 570867190 /nfs/dbraw/zinc/86/71/90/570867190.db2.gz UULNBAZERVSAON-IBGZPJMESA-N 2 0 375.557 2.750 50 0 GFAARP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](CO)[C@H](CN4CC[NH+](C)CC4)C3)o2)cc1 ZINC000091595799 571017079 /nfs/dbraw/zinc/01/70/79/571017079.db2.gz AFVVBKSEOZYHMT-NHCUHLMSSA-N 2 0 383.536 2.543 50 0 GFAARP COc1cc(C[NH+]2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)ccc1F ZINC000091725408 571027688 /nfs/dbraw/zinc/02/76/88/571027688.db2.gz UIOAERDPZURBSW-UHFFFAOYSA-N 2 0 377.504 2.601 50 0 GFAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](CCOc1ccccc1)C2 ZINC000095372009 571061693 /nfs/dbraw/zinc/06/16/93/571061693.db2.gz PNJLKBQADBXZRH-XPNTWCBSSA-N 2 0 388.552 2.905 50 0 GFAARP O[C@H](COc1ccc(CN2CC([NH+]3CCCCC3)C2)cc1)C[NH+]1CCCCC1 ZINC000095497110 571074580 /nfs/dbraw/zinc/07/45/80/571074580.db2.gz WTSXKEPVOCXBGX-QFIPXVFZSA-N 2 0 387.568 2.582 50 0 GFAARP O=C(c1ncc[nH]1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095506096 571079022 /nfs/dbraw/zinc/07/90/22/571079022.db2.gz ZIHIFCACTNJNFN-LJQANCHMSA-N 2 0 387.572 2.992 50 0 GFAARP COc1cc(C[NH2+]CCSC)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000011842585 204357177 /nfs/dbraw/zinc/35/71/77/204357177.db2.gz HZVXPOCVBWBRDZ-GOSISDBHSA-N 2 0 382.570 2.764 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(OC)c(O)c2)C[C@H]2CCCO2)CC1 ZINC000011841531 204357809 /nfs/dbraw/zinc/35/78/09/204357809.db2.gz QFAUYFQBKCBYPX-HXUWFJFHSA-N 2 0 392.540 2.740 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C2CCCC2)C3)CC1 ZINC000067821279 205261867 /nfs/dbraw/zinc/26/18/67/205261867.db2.gz BLBWGMUPVSWZFD-QHCPKHFHSA-N 2 0 391.600 2.850 50 0 GFAARP CC[NH+](CC)CCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000299762714 206185821 /nfs/dbraw/zinc/18/58/21/206185821.db2.gz XBNBRFRQOBYIMF-MRXNPFEDSA-N 2 0 395.931 2.881 50 0 GFAARP CCc1cc(N2CCC([NH2+]C[C@H](O)c3cccc(F)c3)CC2)nc(N(C)C)[nH+]1 ZINC000095527772 136181719 /nfs/dbraw/zinc/18/17/19/136181719.db2.gz MNNZJQBRXPNLFP-IBGZPJMESA-N 2 0 387.503 2.536 50 0 GFAARP CCCOc1ccc(Cl)cc1CNC(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072476589 222265786 /nfs/dbraw/zinc/26/57/86/222265786.db2.gz BJTWUGWVAMDWMY-QGZVFWFLSA-N 2 0 379.932 2.819 50 0 GFAARP O=C(NC1CC[NH+](Cc2ccccc2F)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000056443142 570541424 /nfs/dbraw/zinc/54/14/24/570541424.db2.gz KGFOQQYAJINZRU-UHFFFAOYSA-N 2 0 397.498 2.717 50 0 GFAARP COc1cc(C[N@H+](C)CC2CCOCC2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012454725 570668734 /nfs/dbraw/zinc/66/87/34/570668734.db2.gz RZAYZCIOEUGNQY-HXUWFJFHSA-N 2 0 394.556 2.634 50 0 GFAARP [NH3+]CCc1cccc(C[NH+]2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)c1 ZINC000091665410 571024849 /nfs/dbraw/zinc/02/48/49/571024849.db2.gz RHGGEZNODFEJDI-UHFFFAOYSA-N 2 0 392.547 2.988 50 0 GFAARP CC[N@@H+]1CCC[C@](C)(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)C1 ZINC000095377379 571065109 /nfs/dbraw/zinc/06/51/09/571065109.db2.gz FZLUSMXBGULTIF-QFIPXVFZSA-N 2 0 389.588 2.663 50 0 GFAARP Cc1cc(C)nc(CC[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000011933125 204363053 /nfs/dbraw/zinc/36/30/53/204363053.db2.gz MGPISHDIVLMNNS-NRFANRHFSA-N 2 0 398.551 2.651 50 0 GFAARP COc1ccc(C[NH2+]Cc2ccsc2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000012195983 204381650 /nfs/dbraw/zinc/38/16/50/204381650.db2.gz ITNOXOQDYAZKJQ-SFHVURJKSA-N 2 0 376.522 2.882 50 0 GFAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+](C)Cc2cccnc2)ccc1OC ZINC000012307631 204392732 /nfs/dbraw/zinc/39/27/32/204392732.db2.gz IEYHGOOZOVBFHN-HXUWFJFHSA-N 2 0 387.524 2.804 50 0 GFAARP O=C(NCC(F)F)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071758974 205293992 /nfs/dbraw/zinc/29/39/92/205293992.db2.gz JXXIFXLNFZMQNQ-SFHVURJKSA-N 2 0 391.506 2.712 50 0 GFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cccnc1Cl)CC[NH+](C)CC2 ZINC000072417946 205347108 /nfs/dbraw/zinc/34/71/08/205347108.db2.gz PNYDDUWNIOZTLC-KRWDZBQOSA-N 2 0 378.948 2.890 50 0 GFAARP O=C(NCCCc1ccccc1F)[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000096180450 570218830 /nfs/dbraw/zinc/21/88/30/570218830.db2.gz FWJYUMIOSPRPGO-NFBKMPQASA-N 2 0 381.495 2.596 50 0 GFAARP Cc1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc(C)c1O ZINC000023374327 570358290 /nfs/dbraw/zinc/35/82/90/570358290.db2.gz HIXDFCZDSGJZHW-QFIPXVFZSA-N 2 0 389.584 2.750 50 0 GFAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]CCc2cccnc2)ccc1OC ZINC000012448945 570667811 /nfs/dbraw/zinc/66/78/11/570667811.db2.gz IXARNTWZBWBHEA-HXUWFJFHSA-N 2 0 387.524 2.504 50 0 GFAARP Cc1ncsc1CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000019229351 570964991 /nfs/dbraw/zinc/96/49/91/570964991.db2.gz DHMCSSWTNFXDHO-QGZVFWFLSA-N 2 0 378.586 2.695 50 0 GFAARP CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)C(=O)Nc2cccc3ncccc32)C1 ZINC000106922857 570968828 /nfs/dbraw/zinc/96/88/28/570968828.db2.gz GMCKXMPOAKRABF-QZTJIDSGSA-N 2 0 384.524 2.995 50 0 GFAARP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000095373276 571062749 /nfs/dbraw/zinc/06/27/49/571062749.db2.gz IGWHKMDBEPTUTC-UHFFFAOYSA-N 2 0 395.551 2.639 50 0 GFAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@H+](C)CC(C)(C)C)c2)CC1 ZINC000095512464 571083033 /nfs/dbraw/zinc/08/30/33/571083033.db2.gz GQXFXYWZOTVPLY-FQEVSTJZSA-N 2 0 377.573 2.542 50 0 GFAARP O[C@H](COc1ccccc1C[N@@H+]1CCCOCC1)C[NH+]1CCc2ccccc2C1 ZINC000095518440 571085468 /nfs/dbraw/zinc/08/54/68/571085468.db2.gz WGFDCDJVQORVMH-QHCPKHFHSA-N 2 0 396.531 2.707 50 0 GFAARP Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000011842127 204357204 /nfs/dbraw/zinc/35/72/04/204357204.db2.gz YONIVCJAGNELHR-LJQANCHMSA-N 2 0 389.588 2.580 50 0 GFAARP Cc1nn(C)cc1C[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000011874133 204359969 /nfs/dbraw/zinc/35/99/69/204359969.db2.gz GBLJVLCSHSBARH-NRFANRHFSA-N 2 0 386.540 2.634 50 0 GFAARP CC(C)N(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072146690 205310683 /nfs/dbraw/zinc/31/06/83/205310683.db2.gz GTFDXSMNLHXKTO-FQEVSTJZSA-N 2 0 381.524 2.545 50 0 GFAARP COc1nc2ccccc2cc1C[NH+]1CCC2(CN(CC[NH+](C)C)C(=O)O2)CC1 ZINC000072408750 205346756 /nfs/dbraw/zinc/34/67/56/205346756.db2.gz SAMQXFFBUCTRRC-UHFFFAOYSA-N 2 0 398.507 2.592 50 0 GFAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000095498677 205471212 /nfs/dbraw/zinc/47/12/12/205471212.db2.gz JHRLEFHMYOLEDH-UHFFFAOYSA-N 2 0 379.932 2.885 50 0 GFAARP [NH3+][C@@H]1CCCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000095528513 205495822 /nfs/dbraw/zinc/49/58/22/205495822.db2.gz WZNDGDOYKGFJSL-LJQANCHMSA-N 2 0 394.519 2.688 50 0 GFAARP Cc1cccc(N2CC[NH+](Cc3ccc(C(=O)NCC[NH+](C)C)cc3)CC2)c1C ZINC000034684871 570301679 /nfs/dbraw/zinc/30/16/79/570301679.db2.gz AYXZFFIJIIXORG-UHFFFAOYSA-N 2 0 394.563 2.917 50 0 GFAARP COc1cc(C[N@H+](C)CC2CCOCC2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012454723 570668713 /nfs/dbraw/zinc/66/87/13/570668713.db2.gz RZAYZCIOEUGNQY-FQEVSTJZSA-N 2 0 394.556 2.634 50 0 GFAARP Cc1nc(C(=O)NCCC[NH+]2CCC(C)CC2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257291 570755988 /nfs/dbraw/zinc/75/59/88/570755988.db2.gz WUWRFUSJZXTFQO-UHFFFAOYSA-N 2 0 375.561 2.618 50 0 GFAARP COc1cc(C[NH+]2CCC(C)CC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095523643 571089028 /nfs/dbraw/zinc/08/90/28/571089028.db2.gz FGJMUSRWRWGSDF-IBGZPJMESA-N 2 0 394.581 2.716 50 0 GFAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccon1 ZINC000095530856 571092923 /nfs/dbraw/zinc/09/29/23/571092923.db2.gz LFZWAEHIPNGKNT-QGZVFWFLSA-N 2 0 388.487 2.730 50 0 GFAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000012196967 204380857 /nfs/dbraw/zinc/38/08/57/204380857.db2.gz VFJODCBPFQWQRP-LJQANCHMSA-N 2 0 399.539 2.816 50 0 GFAARP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)c2)C1 ZINC000048179142 205114638 /nfs/dbraw/zinc/11/46/38/205114638.db2.gz NWTMUQVKXJZGCJ-KRWDZBQOSA-N 2 0 375.476 2.670 50 0 GFAARP C[N@H+](CCc1ccccc1)C1(C(=O)N2CCC[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000072151411 205311232 /nfs/dbraw/zinc/31/12/32/205311232.db2.gz ALGSQAOEDCTVPU-NRFANRHFSA-N 2 0 391.559 2.896 50 0 GFAARP C[N@H+](Cc1ccccc1)C1(C(=O)NCC[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000072154385 205312169 /nfs/dbraw/zinc/31/21/69/205312169.db2.gz JZEFDLXWAKFIMO-JOCHJYFZSA-N 2 0 377.532 2.914 50 0 GFAARP Cc1c(C(=O)NCC[NH+](C)C)c(C(F)(F)F)nn1C1CC[NH+](C(C)C)CC1 ZINC000049362720 205670293 /nfs/dbraw/zinc/67/02/93/205670293.db2.gz YFNHKHSUTFINQY-UHFFFAOYSA-N 2 0 389.466 2.547 50 0 GFAARP CC(C)[NH+]1CCC(N2CCN(c3cc[nH+]c4ccccc43)C[C@@H]2CCO)CC1 ZINC000072421253 535156384 /nfs/dbraw/zinc/15/63/84/535156384.db2.gz XQDOJYOODDBRNL-FQEVSTJZSA-N 2 0 382.552 2.981 50 0 GFAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3c[nH]c4ccccc34)C[C@H]2CCO)CC1 ZINC000104645720 570255818 /nfs/dbraw/zinc/25/58/18/570255818.db2.gz PDQMUDHQFJKERN-OAQYLSRUSA-N 2 0 384.568 2.909 50 0 GFAARP CC(C)(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)[NH+]1CCCCC1 ZINC000097357638 570428069 /nfs/dbraw/zinc/42/80/69/570428069.db2.gz CITAAKQRJLLNOX-UHFFFAOYSA-N 2 0 382.618 2.912 50 0 GFAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)C2CCN(C(C)=O)CC2)CC1 ZINC000012711170 570702608 /nfs/dbraw/zinc/70/26/08/570702608.db2.gz KIBJOVDRVOZDQK-UHFFFAOYSA-N 2 0 387.568 2.892 50 0 GFAARP O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014748960 570858869 /nfs/dbraw/zinc/85/88/69/570858869.db2.gz NNKNPPJVZBFWQP-DNVJHFABSA-N 2 0 399.579 2.558 50 0 GFAARP CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000107509021 570974272 /nfs/dbraw/zinc/97/42/72/570974272.db2.gz CAZRVGSBVPONLY-KNQAVFIVSA-N 2 0 386.584 2.572 50 0 GFAARP O=C(NC1CC[NH2+]CC1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000095531039 571093197 /nfs/dbraw/zinc/09/31/97/571093197.db2.gz LXQNXHFXVWQZHI-UHFFFAOYSA-N 2 0 394.519 2.607 50 0 GFAARP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000241588046 231039140 /nfs/dbraw/zinc/03/91/40/231039140.db2.gz OZERHNRGFYBTHG-SYYKKAFVSA-N 2 0 387.568 2.639 50 0 GFAARP CC(C)c1ccc(C[NH+]2CCC(n3cc(C(=O)NCC[NH+](C)C)nn3)CC2)cc1 ZINC000012205926 204382291 /nfs/dbraw/zinc/38/22/91/204382291.db2.gz RGZGMLPCRMMOHP-UHFFFAOYSA-N 2 0 398.555 2.530 50 0 GFAARP COC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000039518634 205043462 /nfs/dbraw/zinc/04/34/62/205043462.db2.gz OOWSXVHEVLEYHK-OAHLLOKOSA-N 2 0 397.947 2.510 50 0 GFAARP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067677305 205254224 /nfs/dbraw/zinc/25/42/24/205254224.db2.gz IEMAZXBSTJYARM-IBGZPJMESA-N 2 0 378.476 2.836 50 0 GFAARP CC1(C)CC([NH2+]C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC(C)(C)[NH2+]1 ZINC000067770879 205259025 /nfs/dbraw/zinc/25/90/25/205259025.db2.gz YSFDBUMIUZDRGA-JOCHJYFZSA-N 2 0 391.531 2.578 50 0 GFAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000067965905 205270241 /nfs/dbraw/zinc/27/02/41/205270241.db2.gz WRTCOEVHRZRSAO-UHFFFAOYSA-N 2 0 383.540 2.747 50 0 GFAARP C[C@H]1C[NH+](CC2CC[NH+](CCCn3c4ccccc4oc3=O)CC2)C[C@H](C)O1 ZINC000069016717 205271832 /nfs/dbraw/zinc/27/18/32/205271832.db2.gz YXOHWNVJKLOVPI-ROUUACIJSA-N 2 0 387.524 2.806 50 0 GFAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N(CCc1ccccc1)Cc1ccccc1 ZINC000072120872 205304228 /nfs/dbraw/zinc/30/42/28/205304228.db2.gz HWEQSUADQYPJSY-QFIPXVFZSA-N 2 0 377.532 2.990 50 0 GFAARP C[N@H+](CCc1ccccc1)C1(C(=O)NC[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000072135240 205309179 /nfs/dbraw/zinc/30/91/79/205309179.db2.gz CPLCJEGIBSCSLS-QFIPXVFZSA-N 2 0 377.532 2.567 50 0 GFAARP C[N@H+](CCc1ccccc1)C1(C(=O)N2CC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000072157752 205312542 /nfs/dbraw/zinc/31/25/42/205312542.db2.gz CVHZUEXHTLAIEF-HXUWFJFHSA-N 2 0 377.532 2.506 50 0 GFAARP C[N@H+](CCc1ccccc1)C1(C(=O)N2CC[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000072157754 205313679 /nfs/dbraw/zinc/31/36/79/205313679.db2.gz CVHZUEXHTLAIEF-FQEVSTJZSA-N 2 0 377.532 2.506 50 0 GFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cc(C(C)C)no1)CC[NH+](C)CC2 ZINC000072479891 205355345 /nfs/dbraw/zinc/35/53/45/205355345.db2.gz SLCJWCTWJOAFBV-IBGZPJMESA-N 2 0 376.545 2.953 50 0 GFAARP O=c1c2c(ncn1CC[N@@H+]1CC[C@H](c3ccccc3)C1)sc1c2CC[NH2+]C1 ZINC000077424759 205363157 /nfs/dbraw/zinc/36/31/57/205363157.db2.gz VTQTXYDKMHRHRK-INIZCTEOSA-N 2 0 380.517 2.593 50 0 GFAARP Cc1cccc(N2CCC([NH+]3CCN([C@@H]4C[NH+]5CCC4CC5)CC3)CC2)c1C ZINC000065381151 136163697 /nfs/dbraw/zinc/16/36/97/136163697.db2.gz JIZCJTOSGCCLLB-XMMPIXPASA-N 2 0 382.596 2.984 50 0 GFAARP C[NH+](C)CCOc1cccc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c1 ZINC000104329781 570257251 /nfs/dbraw/zinc/25/72/51/570257251.db2.gz DVRMFYKLSVJFKY-HXUWFJFHSA-N 2 0 377.573 2.542 50 0 GFAARP COc1ccc(OC)c(CNc2nc3ccccc3n2CCN2CCOCC2)c1 ZINC000000809680 570348721 /nfs/dbraw/zinc/34/87/21/570348721.db2.gz VZDLDVIITMXCHP-UHFFFAOYSA-N 2 0 396.491 2.998 50 0 GFAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3c[nH]c4ccccc34)C[C@@H]2CCO)CC1 ZINC000023375295 570358875 /nfs/dbraw/zinc/35/88/75/570358875.db2.gz PDQMUDHQFJKERN-NRFANRHFSA-N 2 0 384.568 2.909 50 0 GFAARP O=C(NC1CCC1)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000014980881 570869116 /nfs/dbraw/zinc/86/91/16/570869116.db2.gz RTECLDABVRXVKC-FQEVSTJZSA-N 2 0 381.564 2.999 50 0 GFAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]C3CCCCCC3)c2)CC1 ZINC000019228545 570964669 /nfs/dbraw/zinc/96/46/69/570964669.db2.gz DOHDNOJEBZQTAC-JOCHJYFZSA-N 2 0 389.584 2.876 50 0 GFAARP Cc1ccc2ccccc2c1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000092080666 571044204 /nfs/dbraw/zinc/04/42/04/571044204.db2.gz NNZFTZNNJHSAPI-FGZHOGPDSA-N 2 0 381.564 2.826 50 0 GFAARP COc1ccc(C[NH+]2CC(c3cccnc3)C2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095496994 571074426 /nfs/dbraw/zinc/07/44/26/571074426.db2.gz KSMHENKRTHWBAZ-NRFANRHFSA-N 2 0 399.535 2.770 50 0 GFAARP COc1cc(C(=O)NC[C@H](C)[NH3+])ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095522132 571087660 /nfs/dbraw/zinc/08/76/60/571087660.db2.gz LYYIPEXNOHCWKB-HNNXBMFYSA-N 2 0 375.513 2.558 50 0 GFAARP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057174349 205155752 /nfs/dbraw/zinc/15/57/52/205155752.db2.gz WSMYKPAFRBZLEV-QFIPXVFZSA-N 2 0 378.520 2.827 50 0 GFAARP C[C@@H](c1ccc(C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)o1)[NH+]1CCCCC1 ZINC000072148761 205311214 /nfs/dbraw/zinc/31/12/14/205311214.db2.gz WPCQWXVTLFEMSU-KRWDZBQOSA-N 2 0 389.540 2.888 50 0 GFAARP O[C@@H]1C[N@H+](Cc2ccsc2)CC[C@H]1N1CC[NH+](CCc2ccccc2)CC1 ZINC000097797523 206225384 /nfs/dbraw/zinc/22/53/84/206225384.db2.gz OWQOEBLTCMWMLE-FGZHOGPDSA-N 2 0 385.577 2.544 50 0 GFAARP CCn1cc(C[NH2+]Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)cn1 ZINC000012072619 221146956 /nfs/dbraw/zinc/14/69/56/221146956.db2.gz IWLBQSRJHONXDW-OAQYLSRUSA-N 2 0 386.540 2.809 50 0 GFAARP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(Sc3nncn3C)o2)CC1 ZINC000065461089 222130589 /nfs/dbraw/zinc/13/05/89/222130589.db2.gz MNIKNBMRFVOYIR-UHFFFAOYSA-N 2 0 384.509 2.975 50 0 GFAARP CCc1ccc(C[NH+]2CCC3(CC2)CC[N@@H+](C2CCOCC2)C[C@H]3CO)nc1 ZINC000097578991 570246979 /nfs/dbraw/zinc/24/69/79/570246979.db2.gz SGFBFFAIPHUYJZ-FQEVSTJZSA-N 2 0 387.568 2.719 50 0 GFAARP [NH3+]CCc1cccc(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)c1 ZINC000091536478 571013132 /nfs/dbraw/zinc/01/31/32/571013132.db2.gz KCBOQTZSDZYNHX-UHFFFAOYSA-N 2 0 392.547 2.988 50 0 GFAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccon1 ZINC000095530857 571092883 /nfs/dbraw/zinc/09/28/83/571092883.db2.gz LFZWAEHIPNGKNT-KRWDZBQOSA-N 2 0 388.487 2.730 50 0 GFAARP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000195599300 231029208 /nfs/dbraw/zinc/02/92/08/231029208.db2.gz ABQUHHWTKXTADS-SZPZYZBQSA-N 2 0 382.552 2.631 50 0 GFAARP CC(C)C[N@H+]1C[C@H](C(=O)NCCC[NH+](C)C)C[C@H](COc2cccc(F)c2)C1 ZINC000014536175 207022879 /nfs/dbraw/zinc/02/28/79/207022879.db2.gz OQMGYRXJFDGYHU-RBUKOAKNSA-N 2 0 393.547 2.867 50 0 GFAARP COc1ccc(F)cc1C[NH+]1CCC2(CCC(=O)N(CCC[NH+](C)C)C2)CC1 ZINC000095386767 208176896 /nfs/dbraw/zinc/17/68/96/208176896.db2.gz MFKQQDXVCYMAHZ-UHFFFAOYSA-N 2 0 391.531 2.991 50 0 GFAARP O[C@@H](COc1ccc(CN2CC([NH+]3CCCCC3)C2)cc1)C[NH+]1CCCCC1 ZINC000095497109 208199044 /nfs/dbraw/zinc/19/90/44/208199044.db2.gz WTSXKEPVOCXBGX-JOCHJYFZSA-N 2 0 387.568 2.582 50 0 GFAARP COc1cc(C[NH+]2CC(c3cccnc3)C2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095499279 208200629 /nfs/dbraw/zinc/20/06/29/208200629.db2.gz FFNYQXLUQNSGMA-NRFANRHFSA-N 2 0 399.535 2.770 50 0 GFAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH+]1CCCOCC1)C1CCCCC1 ZINC000095499289 208201409 /nfs/dbraw/zinc/20/14/09/208201409.db2.gz FJCILMUIPVPNIB-OAQYLSRUSA-N 2 0 376.541 2.913 50 0 GFAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000095503108 208204947 /nfs/dbraw/zinc/20/49/47/208204947.db2.gz PTUSJGBWUORZDP-JOCHJYFZSA-N 2 0 384.520 2.515 50 0 GFAARP COc1cc(C[N@H+]2CC=C(C)CC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095513060 208213860 /nfs/dbraw/zinc/21/38/60/208213860.db2.gz BEDSHMNMBWIZNR-IBGZPJMESA-N 2 0 392.565 2.636 50 0 GFAARP O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CC[NH2+]CC1 ZINC000095512317 208214413 /nfs/dbraw/zinc/21/44/13/208214413.db2.gz CDLCZDCXHWBBTB-UHFFFAOYSA-N 2 0 393.531 2.818 50 0 GFAARP Nc1ncccc1C[NH+]1CCC2(CC1)CC[N@H+](Cc1ccccc1)C[C@H]2CO ZINC000097179404 208344230 /nfs/dbraw/zinc/34/42/30/208344230.db2.gz NVEQHRHIDLDHGI-NRFANRHFSA-N 2 0 380.536 2.760 50 0 GFAARP Cc1cc(N2CCC([NH2+][C@H](Cn3ccnc3)c3ccccc3)CC2)nc(N)[nH+]1 ZINC000095365512 136178283 /nfs/dbraw/zinc/17/82/83/136178283.db2.gz NHRGVJIUUTWBOF-LJQANCHMSA-N 2 0 377.496 2.564 50 0 GFAARP Cc1cc(N2CCC([NH2+]CCCc3cccnc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095497926 136179716 /nfs/dbraw/zinc/17/97/16/136179716.db2.gz OQDURNFYFCYMCY-UHFFFAOYSA-N 2 0 380.540 2.971 50 0 GFAARP CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cc(C[NH+]4CCCC4)cs3)CC2)O1 ZINC000299767579 209084224 /nfs/dbraw/zinc/08/42/24/209084224.db2.gz LWYYIHGCWHZJDZ-IBGZPJMESA-N 2 0 391.581 2.994 50 0 GFAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000009699674 570560779 /nfs/dbraw/zinc/56/07/79/570560779.db2.gz VVVLDJKBSZHXSJ-UHFFFAOYSA-N 2 0 394.479 2.552 50 0 GFAARP CCCC[NH+]1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000012712699 570703170 /nfs/dbraw/zinc/70/31/70/570703170.db2.gz VIZIPQPTOLUFHF-FQEVSTJZSA-N 2 0 387.572 2.608 50 0 GFAARP O[C@@H](COc1ccccc1C[NH2+]CCc1ccccc1)C[NH+]1CCSCC1 ZINC000012716049 570704300 /nfs/dbraw/zinc/70/43/00/570704300.db2.gz CPKVGTVMGHZETQ-OAQYLSRUSA-N 2 0 386.561 2.807 50 0 GFAARP COCC[N@H+](C)Cc1ccc(OC)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000014959634 207034331 /nfs/dbraw/zinc/03/43/31/207034331.db2.gz KFVKCLCMPDLPGH-FQEVSTJZSA-N 2 0 394.556 2.779 50 0 GFAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1OC ZINC000015070835 207043870 /nfs/dbraw/zinc/04/38/70/207043870.db2.gz ZYUVBEOPAWQWAH-IBGZPJMESA-N 2 0 394.556 2.562 50 0 GFAARP Cc1ccccc1C[N@@H+]1CC[C@@H](Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)C1 ZINC000072412275 208020290 /nfs/dbraw/zinc/02/02/90/208020290.db2.gz XBEDIHUTGBDESA-GOSISDBHSA-N 2 0 376.508 2.680 50 0 GFAARP c1cn(CC[N@@H+]2CCC[C@H](c3ccccc3)C2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072469532 208031532 /nfs/dbraw/zinc/03/15/32/208031532.db2.gz HQPBKZKUWTZHDY-IBGZPJMESA-N 2 0 376.508 2.729 50 0 GFAARP O=C(CCC1CC[NH+](Cc2cnc[nH]2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095526102 208223832 /nfs/dbraw/zinc/22/38/32/208223832.db2.gz PMZQXVBVCLBLJB-NRFANRHFSA-N 2 0 395.551 2.793 50 0 GFAARP COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c2ccccc12 ZINC000104628106 570259803 /nfs/dbraw/zinc/25/98/03/570259803.db2.gz OSDJREWNPVEZGY-OAQYLSRUSA-N 2 0 397.563 2.811 50 0 GFAARP Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000011842129 570587234 /nfs/dbraw/zinc/58/72/34/570587234.db2.gz YONIVCJAGNELHR-IBGZPJMESA-N 2 0 389.588 2.580 50 0 GFAARP COc1cc(C[NH2+]CCc2cccnc2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012303599 570637516 /nfs/dbraw/zinc/63/75/16/570637516.db2.gz JNGYUUWIUTYUGR-FQEVSTJZSA-N 2 0 387.524 2.502 50 0 GFAARP COc1ccc(C[NH+]2CCC(OC)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012706761 570700549 /nfs/dbraw/zinc/70/05/49/570700549.db2.gz MHLOVTWMRJIZBV-IBGZPJMESA-N 2 0 392.540 2.532 50 0 GFAARP Cc1nc(C(=O)NCC[N@@H+](C)C2CCCCC2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257284 570756067 /nfs/dbraw/zinc/75/60/67/570756067.db2.gz CYICVLMAYHBUPG-UHFFFAOYSA-N 2 0 375.561 2.761 50 0 GFAARP O=C(NCC(F)F)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071758975 570848941 /nfs/dbraw/zinc/84/89/41/570848941.db2.gz JXXIFXLNFZMQNQ-GOSISDBHSA-N 2 0 391.506 2.712 50 0 GFAARP C[C@H](c1ccc(C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)o1)[NH+]1CCCCC1 ZINC000072148762 570872722 /nfs/dbraw/zinc/87/27/22/570872722.db2.gz WPCQWXVTLFEMSU-QGZVFWFLSA-N 2 0 389.540 2.888 50 0 GFAARP C[N@@H+]1CCN(Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1(C)C ZINC000108274582 529774872 /nfs/dbraw/zinc/77/48/72/529774872.db2.gz DXZQHWXAAKDIRU-NRFANRHFSA-N 2 0 389.584 2.828 50 0 GFAARP O=C(NCCc1ccccc1)C1CC[NH+](C2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000014980033 207036073 /nfs/dbraw/zinc/03/60/73/207036073.db2.gz ARSIEXCYLPDCDM-UHFFFAOYSA-N 2 0 399.579 2.701 50 0 GFAARP COc1ccc(C[NH2+]CCc2ccccn2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012205142 207285778 /nfs/dbraw/zinc/28/57/78/207285778.db2.gz LFLRHDMDSCZPAH-HXUWFJFHSA-N 2 0 387.524 2.502 50 0 GFAARP COc1ccc(C[NH2+]CCc2ccccn2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012205134 207285797 /nfs/dbraw/zinc/28/57/97/207285797.db2.gz LFLRHDMDSCZPAH-FQEVSTJZSA-N 2 0 387.524 2.502 50 0 GFAARP COc1c(C)cc(C)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 ZINC000091933068 208143894 /nfs/dbraw/zinc/14/38/94/208143894.db2.gz TXYHYHXDAINNTL-IRLDBZIGSA-N 2 0 389.584 2.522 50 0 GFAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH+]2CCC3(CCO3)CC2)ccc1OC ZINC000095509340 208211979 /nfs/dbraw/zinc/21/19/79/208211979.db2.gz SQHILFGZBDHTPQ-IBGZPJMESA-N 2 0 392.540 2.532 50 0 GFAARP O=C(N[C@H]1CC[NH2+]C1)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095511833 208214980 /nfs/dbraw/zinc/21/49/80/208214980.db2.gz AAWJTSAONOUKKS-NRFANRHFSA-N 2 0 393.531 2.864 50 0 GFAARP CC1(C)CC(CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)CC(C)(C)[NH2+]1 ZINC000095517729 208215691 /nfs/dbraw/zinc/21/56/91/208215691.db2.gz PSTLMFPFYDLVHN-FQEVSTJZSA-N 2 0 387.568 2.639 50 0 GFAARP CCc1cc(C[N@@H+]2CCC3(CC[NH+](CCCSC)CC3)[C@H](CO)C2)[nH]n1 ZINC000097657147 208359650 /nfs/dbraw/zinc/35/96/50/208359650.db2.gz QTIBLYVKJYMKIL-KRWDZBQOSA-N 2 0 380.602 2.622 50 0 GFAARP CCn1ncc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](CCOC)CC2)c1C ZINC000063845078 570750666 /nfs/dbraw/zinc/75/06/66/570750666.db2.gz OYKVHEOAGPVHAI-UHFFFAOYSA-N 2 0 385.556 2.967 50 0 GFAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N(CCc1ccccc1)Cc1ccccc1 ZINC000072120873 570867079 /nfs/dbraw/zinc/86/70/79/570867079.db2.gz HWEQSUADQYPJSY-JOCHJYFZSA-N 2 0 377.532 2.990 50 0 GFAARP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000195599305 231029214 /nfs/dbraw/zinc/02/92/14/231029214.db2.gz ABQUHHWTKXTADS-FGZHOGPDSA-N 2 0 382.552 2.631 50 0 GFAARP CC[NH+](CC)CCN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(OC)cc3F)CC[C@@H]21 ZINC000014883800 207031410 /nfs/dbraw/zinc/03/14/10/207031410.db2.gz NQCOSWZBCWQWCL-NQIIRXRSSA-N 2 0 391.531 2.989 50 0 GFAARP O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCCO1 ZINC000014964379 207035086 /nfs/dbraw/zinc/03/50/86/207035086.db2.gz FJVZVPRETIQGET-UHFFFAOYSA-N 2 0 385.552 2.960 50 0 GFAARP CC[N@H+](CCn1cccn1)Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000015064985 207042212 /nfs/dbraw/zinc/04/22/12/207042212.db2.gz OAQNLIFMCUOIIF-OAQYLSRUSA-N 2 0 386.540 2.631 50 0 GFAARP O=c1c2c3c(sc2ncn1C1CC[NH+](Cc2ccccc2)CC1)C[NH2+]CC3 ZINC000065403851 207868684 /nfs/dbraw/zinc/86/86/84/207868684.db2.gz UQFURRNDXOBBSF-UHFFFAOYSA-N 2 0 380.517 2.941 50 0 GFAARP CC(C)C[N@@H+]1CCCn2nc(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2C1 ZINC000082087875 208077021 /nfs/dbraw/zinc/07/70/21/208077021.db2.gz RDMFABRGCPQCMM-GOSISDBHSA-N 2 0 375.561 2.626 50 0 GFAARP Cc1c(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])[nH]c2c1cccc2Cl ZINC000091713860 208134361 /nfs/dbraw/zinc/13/43/61/208134361.db2.gz BUXVRKNVLPAMIL-MSOLQXFVSA-N 2 0 377.916 2.820 50 0 GFAARP [NH3+][C@@H]1CC[C@H](NC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000095497303 208198716 /nfs/dbraw/zinc/19/87/16/208198716.db2.gz OGWXOWJSUSOFMK-MOPGFXCFSA-N 2 0 394.519 2.735 50 0 GFAARP O=C(CCC1CC[NH+](Cc2cnc[nH]2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095526103 208223295 /nfs/dbraw/zinc/22/32/95/208223295.db2.gz PMZQXVBVCLBLJB-OAQYLSRUSA-N 2 0 395.551 2.793 50 0 GFAARP Cc1cc(C)c2[nH+]ccc(N3CCN(C4CC[NH+](C)CC4)[C@@H](CCO)C3)c2c1 ZINC000106991674 136191609 /nfs/dbraw/zinc/19/16/09/136191609.db2.gz MAHUNNGYNADBDL-FQEVSTJZSA-N 2 0 382.552 2.819 50 0 GFAARP CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC000011944565 570450211 /nfs/dbraw/zinc/45/02/11/570450211.db2.gz IARSYPJIOGVURM-OAQYLSRUSA-N 2 0 378.605 2.516 50 0 GFAARP COC[C@H]1C[N@H+](Cc2cc(Br)ccc2OC)CC12CC[NH2+]CC2 ZINC000169789800 655143974 /nfs/dbraw/zinc/14/39/74/655143974.db2.gz XXRXOBKNVIMLLH-OAHLLOKOSA-N 2 0 383.330 2.906 50 0 GFAARP CCn1cc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H]([NH+]2CCCC2)[C@@H]3O)cn1 ZINC000020205533 207183251 /nfs/dbraw/zinc/18/32/51/207183251.db2.gz YYVVDMDDKVQGSB-YADHBBJMSA-N 2 0 380.536 2.948 50 0 GFAARP COc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1OC ZINC000023234534 207271906 /nfs/dbraw/zinc/27/19/06/207271906.db2.gz AWQAJKTVJFDXRN-UHFFFAOYSA-N 2 0 391.556 2.620 50 0 GFAARP C[NH+](C)CCCN(CCC[NH+](C)C)c1cc(-c2ccccc2)nc2ncnn21 ZINC000023305766 207272454 /nfs/dbraw/zinc/27/24/54/207272454.db2.gz GMZJXPKTFJCIHF-UHFFFAOYSA-N 2 0 381.528 2.501 50 0 GFAARP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000025045363 207299095 /nfs/dbraw/zinc/29/90/95/207299095.db2.gz DHRRYBGWEXUNCC-FGZHOGPDSA-N 2 0 378.520 2.835 50 0 GFAARP Cc1ccccc1C[NH+]1CCC(C[N@H+](CC(=O)N(C)C)C[C@@H]2CCCO2)CC1 ZINC000095505972 208206842 /nfs/dbraw/zinc/20/68/42/208206842.db2.gz BYYDOKFRKVMICN-QFIPXVFZSA-N 2 0 387.568 2.776 50 0 GFAARP COCC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(-c3cc(N)cc[nH+]3)cc2)C1 ZINC000426398026 533343034 /nfs/dbraw/zinc/34/30/34/533343034.db2.gz IKQRHYXZBPAPES-KRWDZBQOSA-N 2 0 382.508 2.761 50 0 GFAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)C3CCN(C(C)=O)CC3)CC2)cc1 ZINC000012437451 570662547 /nfs/dbraw/zinc/66/25/47/570662547.db2.gz AOXUKNMXIHANMR-UHFFFAOYSA-N 2 0 387.568 2.892 50 0 GFAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]CCc2cccnc2)ccc1OC ZINC000012448946 570667824 /nfs/dbraw/zinc/66/78/24/570667824.db2.gz IXARNTWZBWBHEA-FQEVSTJZSA-N 2 0 387.524 2.504 50 0 GFAARP CC[NH+](CC)CC(=O)N(C)CC1CC[NH+](CCc2ccccc2OC)CC1 ZINC000012579804 570683224 /nfs/dbraw/zinc/68/32/24/570683224.db2.gz KQYYCFCEZZDNNH-UHFFFAOYSA-N 2 0 375.557 2.750 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc3nonc32)C[C@H]2CCCO2)CC1 ZINC000055245028 570688820 /nfs/dbraw/zinc/68/88/20/570688820.db2.gz JDFKQNIKKHBFKW-LJQANCHMSA-N 2 0 388.512 2.562 50 0 GFAARP C[NH+](C)[C@H]1CCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072477793 208031118 /nfs/dbraw/zinc/03/11/18/208031118.db2.gz RRFUATKFLRZBIO-INIZCTEOSA-N 2 0 385.943 2.940 50 0 GFAARP COc1cc(C[NH+]2CC(c3cccnc3)C2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095516899 208216552 /nfs/dbraw/zinc/21/65/52/208216552.db2.gz WUZSZEWWWNBSGW-NRFANRHFSA-N 2 0 397.519 2.525 50 0 GFAARP C[N@H+](Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1)C1CCOCC1 ZINC000095527415 208225908 /nfs/dbraw/zinc/22/59/08/208225908.db2.gz FJASVSISASXVDS-NRFANRHFSA-N 2 0 376.541 2.913 50 0 GFAARP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000096007911 208253359 /nfs/dbraw/zinc/25/33/59/208253359.db2.gz IBYXXRSSSYGOKM-SFTDATJTSA-N 2 0 379.589 2.990 50 0 GFAARP C[N@H+](CCc1ccccc1)C1(C(=O)NC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000072145065 570870915 /nfs/dbraw/zinc/87/09/15/570870915.db2.gz SOACOGNZCIPHPR-UHFFFAOYSA-N 2 0 377.532 2.567 50 0 GFAARP C[N@H+](CCc1ccccc1)C1(C(=O)N2CCC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000072151410 570873995 /nfs/dbraw/zinc/87/39/95/570873995.db2.gz ALGSQAOEDCTVPU-OAQYLSRUSA-N 2 0 391.559 2.896 50 0 GFAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]CCN1CCCC1)C1CCCCC1 ZINC000020254811 207185961 /nfs/dbraw/zinc/18/59/61/207185961.db2.gz FRZNUSWEXBFJBU-QFIPXVFZSA-N 2 0 389.584 2.876 50 0 GFAARP COc1cc(C[N@@H+]2CCC[C@H](N(C)CCC[NH+](C)C)C2)cc(OC)c1OC ZINC000023374956 207276734 /nfs/dbraw/zinc/27/67/34/207276734.db2.gz DQMPLFFARQDGPG-SFHVURJKSA-N 2 0 379.545 2.560 50 0 GFAARP c1cn(CC[N@@H+]2CC[C@H](c3ccccc3)C2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072480898 208031934 /nfs/dbraw/zinc/03/19/34/208031934.db2.gz IOCYSMAINRBVDY-IBGZPJMESA-N 2 0 376.508 2.729 50 0 GFAARP O=c1c2c(ncn1CC[N@@H+]1CC[C@@H](c3ccccc3)C1)sc1c2CC[NH2+]C1 ZINC000077424755 208044985 /nfs/dbraw/zinc/04/49/85/208044985.db2.gz VTQTXYDKMHRHRK-MRXNPFEDSA-N 2 0 380.517 2.593 50 0 GFAARP C[NH+]1CCN(Cc2cc(Cl)ccc2OC[C@H](O)C[NH+]2CCCCCC2)CC1 ZINC000095524539 208221910 /nfs/dbraw/zinc/22/19/10/208221910.db2.gz TZYHKZUQMDNJAH-HXUWFJFHSA-N 2 0 395.975 2.703 50 0 GFAARP Cn1c(COc2cccc(C[NH+]3CCCC3)c2Cl)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000240971713 209019488 /nfs/dbraw/zinc/01/94/88/209019488.db2.gz UBQFNHVICAOCFJ-SHTZXODSSA-N 2 0 375.904 2.848 50 0 GFAARP Cc1cc(C)c2[nH+]ccc(N3CCN(C4CC[NH+](C)CC4)[C@H](CCO)C3)c2c1 ZINC000072463276 136171092 /nfs/dbraw/zinc/17/10/92/136171092.db2.gz MAHUNNGYNADBDL-HXUWFJFHSA-N 2 0 382.552 2.819 50 0 GFAARP C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2cc(N3CCCC3)cn[nH+]2)C1 ZINC000095496965 136179604 /nfs/dbraw/zinc/17/96/04/136179604.db2.gz ZZHUPXLDFDYBEK-GOSISDBHSA-N 2 0 383.544 2.609 50 0 GFAARP COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)C[C@H]2CCO)cc1C ZINC000104551681 570259779 /nfs/dbraw/zinc/25/97/79/570259779.db2.gz CHMMNXLHWLVRNA-JOCHJYFZSA-N 2 0 389.584 2.745 50 0 GFAARP COc1ccc(C[NH2+]CCc2cccnc2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012429766 570658726 /nfs/dbraw/zinc/65/87/26/570658726.db2.gz WQEAWNLEYRYFRD-NRFANRHFSA-N 2 0 399.535 2.648 50 0 GFAARP Cc1cc(C)n(CCCNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000012433073 570660545 /nfs/dbraw/zinc/66/05/45/570660545.db2.gz SFOVAHJREVXFEQ-HXUWFJFHSA-N 2 0 389.588 2.591 50 0 GFAARP O=c1c2c(ncn1Cc1cccc(C[NH+]3CCCC3)c1)sc1c2CC[NH2+]C1 ZINC000065464706 570770091 /nfs/dbraw/zinc/77/00/91/570770091.db2.gz AWOZOVVVIDAPTD-UHFFFAOYSA-N 2 0 380.517 2.748 50 0 GFAARP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000195599302 231029189 /nfs/dbraw/zinc/02/91/89/231029189.db2.gz ABQUHHWTKXTADS-VXKWHMMOSA-N 2 0 382.552 2.631 50 0 GFAARP COc1ccc(C[NH2+]CCCOC(C)C)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015074126 207044460 /nfs/dbraw/zinc/04/44/60/207044460.db2.gz SHZVYJLUCJZHIV-IBGZPJMESA-N 2 0 382.545 2.680 50 0 GFAARP O[C@@H](COc1ccc(C[NH2+]C2CCOCC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000020207660 207184902 /nfs/dbraw/zinc/18/49/02/207184902.db2.gz BPTDFBKZWFODQP-HSZRJFAPSA-N 2 0 396.531 2.753 50 0 GFAARP Cc1n[nH]c(C)c1CC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000020452996 207194539 /nfs/dbraw/zinc/19/45/39/207194539.db2.gz OOMQAIFMYUIRTQ-FQEVSTJZSA-N 2 0 386.540 2.584 50 0 GFAARP CC[NH+]1CCC(N2CCC[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)CC1 ZINC000022913169 207263907 /nfs/dbraw/zinc/26/39/07/207263907.db2.gz ZNMJCYUGJJLKHP-NRFANRHFSA-N 2 0 386.584 2.766 50 0 GFAARP [NH3+]Cc1cn(CC2CC[NH+](Cc3ccc([C@@H]4CCCCO4)s3)CC2)nn1 ZINC000023430868 207277772 /nfs/dbraw/zinc/27/77/72/207277772.db2.gz AEOPRKZXOIGBHO-SFHVURJKSA-N 2 0 375.542 2.952 50 0 GFAARP O=C(c1ccn[nH]1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095511590 208214369 /nfs/dbraw/zinc/21/43/69/208214369.db2.gz LJGRBYZAWCVSPW-LJQANCHMSA-N 2 0 387.572 2.992 50 0 GFAARP CCOC1CC[NH+](Cc2ccc(OC[C@@H](O)C[NH+]3CCCC3)c(OC)c2)CC1 ZINC000095522060 208220560 /nfs/dbraw/zinc/22/05/60/208220560.db2.gz SXQKCZCADMKXLG-IBGZPJMESA-N 2 0 392.540 2.532 50 0 GFAARP COc1ccc(C[N@H+](C)C2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095525082 208223082 /nfs/dbraw/zinc/22/30/82/208223082.db2.gz RBSPHDIFBJMERX-HXUWFJFHSA-N 2 0 392.540 2.532 50 0 GFAARP OC[C@H]1C[N@H+](Cc2cccnc2)CCC12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000097413400 208354024 /nfs/dbraw/zinc/35/40/24/208354024.db2.gz AXAQYMQFULSKDU-OAQYLSRUSA-N 2 0 381.520 2.884 50 0 GFAARP Cn1c(COc2ccc(C[NH+]3CCCC3)cc2Cl)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244718925 209025246 /nfs/dbraw/zinc/02/52/46/209025246.db2.gz LTLAUQNNGMRVMR-GASCZTMLSA-N 2 0 375.904 2.848 50 0 GFAARP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000095405542 136179028 /nfs/dbraw/zinc/17/90/28/136179028.db2.gz YFDMUAGALPRNGB-UHFFFAOYSA-N 2 0 398.595 2.970 50 0 GFAARP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237344583 570345713 /nfs/dbraw/zinc/34/57/13/570345713.db2.gz LFFUEKZUONFNRS-QGZVFWFLSA-N 2 0 396.539 2.507 50 0 GFAARP COc1cc(C[NH2+]CCc2cccnc2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012303600 570637726 /nfs/dbraw/zinc/63/77/26/570637726.db2.gz JNGYUUWIUTYUGR-HXUWFJFHSA-N 2 0 387.524 2.502 50 0 GFAARP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)C1 ZINC000048488643 570658903 /nfs/dbraw/zinc/65/89/03/570658903.db2.gz DHGRHXGLRAFYGY-KRWDZBQOSA-N 2 0 375.476 2.670 50 0 GFAARP Cc1cccnc1CN(Cc1ccccc1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072129589 570868004 /nfs/dbraw/zinc/86/80/04/570868004.db2.gz UIFIEJOASRGUDM-HXUWFJFHSA-N 2 0 378.520 2.651 50 0 GFAARP O=C(C[C@H]1COCC[NH2+]1)NC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000072132936 570868627 /nfs/dbraw/zinc/86/86/27/570868627.db2.gz ARQOUFLTNDZLBO-QHCPKHFHSA-N 2 0 393.531 2.813 50 0 GFAARP CN(CC[NH+](C)C)C(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072143672 570870543 /nfs/dbraw/zinc/87/05/43/570870543.db2.gz AFGDUAIBGMBQJH-UHFFFAOYSA-N 2 0 379.548 2.719 50 0 GFAARP C[C@H]1CN(C(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)CC[NH2+]1 ZINC000072163970 570876560 /nfs/dbraw/zinc/87/65/60/570876560.db2.gz GEFWOZBUHRNWLR-IBGZPJMESA-N 2 0 377.532 2.519 50 0 GFAARP COc1cc(C[N@@H+]2CCCOCC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095515155 211262476 /nfs/dbraw/zinc/26/24/76/211262476.db2.gz TVIUTONYCYTJKX-HXUWFJFHSA-N 2 0 392.540 2.533 50 0 GFAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@@H+]3CCCCC34CC4)c2)CC1 ZINC000095506895 211258463 /nfs/dbraw/zinc/25/84/63/211258463.db2.gz AMQCANIKDRLHRQ-NRFANRHFSA-N 2 0 387.568 2.582 50 0 GFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1ccc(OCC)cc1)CC[NH+](C)CC2 ZINC000072429108 211117754 /nfs/dbraw/zinc/11/77/54/211117754.db2.gz IUXNFBOJPNDKQC-OAQYLSRUSA-N 2 0 387.568 2.940 50 0 GFAARP C[N@H+](CCc1ccccc1)C1(C(=O)NCC[NH+]2CCCC2)Cc2ccccc2C1 ZINC000072165183 211079308 /nfs/dbraw/zinc/07/93/08/211079308.db2.gz QVOVNWKETJPBRM-UHFFFAOYSA-N 2 0 391.559 2.911 50 0 GFAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CC=CC1 ZINC000071589647 211049658 /nfs/dbraw/zinc/04/96/58/211049658.db2.gz GJEAYZZLDJPXLA-OAQYLSRUSA-N 2 0 379.548 2.729 50 0 GFAARP CC[NH+](CC)Cc1cc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)ccc1OC ZINC000039360202 210762271 /nfs/dbraw/zinc/76/22/71/210762271.db2.gz HQKLKTLCLDBSDK-OAQYLSRUSA-N 2 0 377.573 2.814 50 0 GFAARP Cc1cc(N2CCC([NH2+][C@@H](Cn3ccnc3)c3ccccc3)CC2)nc(N)[nH+]1 ZINC000095365511 136178221 /nfs/dbraw/zinc/17/82/21/136178221.db2.gz NHRGVJIUUTWBOF-IBGZPJMESA-N 2 0 377.496 2.564 50 0 GFAARP C[N@@H+]1CCN(Cc2cccc(OCCCC[NH+]3CCOCC3)c2)CC1(C)C ZINC000216049800 570295370 /nfs/dbraw/zinc/29/53/70/570295370.db2.gz RNQPVMIHDQNRGP-UHFFFAOYSA-N 2 0 375.557 2.704 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]2CCCO2)CC1 ZINC000011816313 570584298 /nfs/dbraw/zinc/58/42/98/570584298.db2.gz XYTXZRWWPRZOCC-IBGZPJMESA-N 2 0 388.512 2.562 50 0 GFAARP CN1CCC([N@@H+]2CCC[C@H](NC(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000012432378 570660324 /nfs/dbraw/zinc/66/03/24/570660324.db2.gz WYFWVDHCNSSSHE-SFHVURJKSA-N 2 0 378.605 2.608 50 0 GFAARP COc1cc(C[N@H+](C)Cc2cccnc2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095529997 211275401 /nfs/dbraw/zinc/27/54/01/211275401.db2.gz CIVQLGMWMSDFJT-FQEVSTJZSA-N 2 0 385.508 2.558 50 0 GFAARP C[NH+]1CCN(Cc2cc(Cl)ccc2OC[C@@H](O)C[NH+]2CCCCCC2)CC1 ZINC000095524540 211269856 /nfs/dbraw/zinc/26/98/56/211269856.db2.gz TZYHKZUQMDNJAH-FQEVSTJZSA-N 2 0 395.975 2.703 50 0 GFAARP COc1cc(C[NH+]2CC(c3cccnc3)C2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095516898 211263695 /nfs/dbraw/zinc/26/36/95/211263695.db2.gz WUZSZEWWWNBSGW-OAQYLSRUSA-N 2 0 397.519 2.525 50 0 GFAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH+]2CCC3(CCO3)CC2)ccc1OC ZINC000095509341 211260709 /nfs/dbraw/zinc/26/07/09/211260709.db2.gz SQHILFGZBDHTPQ-LJQANCHMSA-N 2 0 392.540 2.532 50 0 GFAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH+]1CCCOCC1)C1CCCCC1 ZINC000095499288 211254003 /nfs/dbraw/zinc/25/40/03/211254003.db2.gz FJCILMUIPVPNIB-NRFANRHFSA-N 2 0 376.541 2.913 50 0 GFAARP CCn1cc(CN(C[C@H]2CCC[N@@H+]2CC)CC2CC[NH+](CCOC)CC2)cn1 ZINC000020784618 210360518 /nfs/dbraw/zinc/36/05/18/210360518.db2.gz FDENXPXCOQMATK-JOCHJYFZSA-N 2 0 391.604 2.548 50 0 GFAARP CCC[NH+]1CCC(N2CC[N@H+](Cc3ccc(OCC)cc3)[C@@H](CCO)C2)CC1 ZINC000020541765 210344771 /nfs/dbraw/zinc/34/47/71/210344771.db2.gz ZJCZSTWPVBTVKY-QFIPXVFZSA-N 2 0 389.584 2.828 50 0 GFAARP CCc1cc(N2CCC([NH2+]Cc3cnc4ccccn34)CC2)nc(N(C)C)[nH+]1 ZINC000095501841 136179845 /nfs/dbraw/zinc/17/98/45/136179845.db2.gz VHQSEQLEBHSVFU-UHFFFAOYSA-N 2 0 379.512 2.511 50 0 GFAARP O[C@H]1[C@H]([NH+]2CCC(Oc3cccnc3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000023153475 526316902 /nfs/dbraw/zinc/31/69/02/526316902.db2.gz IRSANVAQSLPRQB-YADHBBJMSA-N 2 0 379.504 2.662 50 0 GFAARP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 ZINC000048712896 570254224 /nfs/dbraw/zinc/25/42/24/570254224.db2.gz LEQXQAKXZGBTSM-OAHLLOKOSA-N 2 0 391.510 2.883 50 0 GFAARP CC[NH+](CC)Cc1cc(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)ccc1OC ZINC000105901232 570305732 /nfs/dbraw/zinc/30/57/32/570305732.db2.gz HQKLKTLCLDBSDK-NRFANRHFSA-N 2 0 377.573 2.814 50 0 GFAARP Cc1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc(C)c1O ZINC000039543781 570593538 /nfs/dbraw/zinc/59/35/38/570593538.db2.gz HIXDFCZDSGJZHW-JOCHJYFZSA-N 2 0 389.584 2.750 50 0 GFAARP COc1cc(C[NH2+]CC2(O)CCCCC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012298330 570634943 /nfs/dbraw/zinc/63/49/43/570634943.db2.gz LTNUXFRRSQHSBJ-IBGZPJMESA-N 2 0 394.556 2.560 50 0 GFAARP CN(CC[NH+](C)C)C(=O)c1cccc(OC2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000014979265 210138627 /nfs/dbraw/zinc/13/86/27/210138627.db2.gz XQPDMEBWCYCNIT-GOSISDBHSA-N 2 0 391.581 2.669 50 0 GFAARP CCOC1CC[NH+](Cc2ccc(OC[C@H](O)C[NH+]3CCCC3)c(OC)c2)CC1 ZINC000095522059 211267829 /nfs/dbraw/zinc/26/78/29/211267829.db2.gz SXQKCZCADMKXLG-LJQANCHMSA-N 2 0 392.540 2.532 50 0 GFAARP COC1CC[NH+](Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095517684 211265106 /nfs/dbraw/zinc/26/51/06/211265106.db2.gz WBQQPSNMCKBAMC-HXUWFJFHSA-N 2 0 376.541 2.913 50 0 GFAARP CC(C)[N@H+](CCO)Cc1ccccc1OC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095515167 211263017 /nfs/dbraw/zinc/26/30/17/211263017.db2.gz YWOVDFZDLYUGBU-HSZRJFAPSA-N 2 0 398.547 2.687 50 0 GFAARP O=C(c1ncc[nH]1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095506097 211257340 /nfs/dbraw/zinc/25/73/40/211257340.db2.gz ZIHIFCACTNJNFN-IBGZPJMESA-N 2 0 387.572 2.992 50 0 GFAARP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095383405 211234613 /nfs/dbraw/zinc/23/46/13/211234613.db2.gz NNMUDQMFWYLYPX-FQEVSTJZSA-N 2 0 378.520 2.943 50 0 GFAARP CC[N@@H+]1CCC[C@@](C)(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)C1 ZINC000095377378 211229006 /nfs/dbraw/zinc/22/90/06/211229006.db2.gz FZLUSMXBGULTIF-JOCHJYFZSA-N 2 0 389.588 2.663 50 0 GFAARP CC(C)C[N@@H+]1CCCn2nc(CNC(=O)[C@H](C)[NH+]3CCCCCC3)cc2C1 ZINC000082087876 211159718 /nfs/dbraw/zinc/15/97/18/211159718.db2.gz RDMFABRGCPQCMM-SFHVURJKSA-N 2 0 375.561 2.626 50 0 GFAARP COc1ccc(F)c(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000104449514 570258406 /nfs/dbraw/zinc/25/84/06/570258406.db2.gz CUHJTEVIGVYYIS-HXUWFJFHSA-N 2 0 393.547 2.576 50 0 GFAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000244659839 570436189 /nfs/dbraw/zinc/43/61/89/570436189.db2.gz HJTZNDZNKBAPTP-VABKMULXSA-N 2 0 398.547 2.951 50 0 GFAARP Cc1c[nH+]ccc1NCCNC(=O)N1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000426501749 231229553 /nfs/dbraw/zinc/22/95/53/231229553.db2.gz ITMNORAAJRHGNV-NRFANRHFSA-N 2 0 381.524 2.832 50 0 GFAARP O[C@H](COc1ccccc1C[NH2+]Cc1ccc(F)cc1)C[NH+]1CCSCC1 ZINC000014964634 210136943 /nfs/dbraw/zinc/13/69/43/210136943.db2.gz XUDHROAHIBHLNI-FQEVSTJZSA-N 2 0 390.524 2.904 50 0 GFAARP COc1cc(C[N@H+](C)CC2CCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095524004 211269989 /nfs/dbraw/zinc/26/99/89/211269989.db2.gz QAGSANRXWFWTIF-LJQANCHMSA-N 2 0 394.581 2.716 50 0 GFAARP C[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH+]3CCCCCCCC3)cc2)CC1 ZINC000095522267 211266278 /nfs/dbraw/zinc/26/62/78/211266278.db2.gz XNPXHHCQFBKMQG-JOCHJYFZSA-N 2 0 389.584 2.830 50 0 GFAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCCOCC2)cc1 ZINC000095513127 211261536 /nfs/dbraw/zinc/26/15/36/211261536.db2.gz NTQFTIAFODHMNA-JOCHJYFZSA-N 2 0 384.520 2.781 50 0 GFAARP CN(C(=O)C1([NH+](C)CCc2ccccc2)Cc2ccccc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000072135483 211073360 /nfs/dbraw/zinc/07/33/60/211073360.db2.gz HOBXOGMQMVFUIL-HSZRJFAPSA-N 2 0 391.559 2.861 50 0 GFAARP CC(C)CC[N@@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1CCO ZINC000020537434 210345744 /nfs/dbraw/zinc/34/57/44/210345744.db2.gz PLSRKBGRMUBIBU-NRFANRHFSA-N 2 0 377.573 2.542 50 0 GFAARP C[NH+](C)[C@@H]1CCN(C(=O)C2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)C1 ZINC000039364744 570590221 /nfs/dbraw/zinc/59/02/21/570590221.db2.gz NNYVJNTWJMNAFK-JOCHJYFZSA-N 2 0 377.532 2.819 50 0 GFAARP COc1cc(C[NH2+]CC2(O)CCCCC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012298331 570634807 /nfs/dbraw/zinc/63/48/07/570634807.db2.gz LTNUXFRRSQHSBJ-LJQANCHMSA-N 2 0 394.556 2.560 50 0 GFAARP CSCC[NH2+]Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000015076080 210151438 /nfs/dbraw/zinc/15/14/38/210151438.db2.gz LHYAZBKRVRFDKS-OAQYLSRUSA-N 2 0 386.561 2.937 50 0 GFAARP CCc1cc(C[N@@H+]2CCC3(CC[NH+](CCCSC)CC3)[C@@H](CO)C2)[nH]n1 ZINC000097657148 211369728 /nfs/dbraw/zinc/36/97/28/211369728.db2.gz QTIBLYVKJYMKIL-QGZVFWFLSA-N 2 0 380.602 2.622 50 0 GFAARP CC(C)Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)s1 ZINC000091770750 211205492 /nfs/dbraw/zinc/20/54/92/211205492.db2.gz SVUMLKWLTGATBS-RTBURBONSA-N 2 0 379.614 2.624 50 0 GFAARP CC[NH+]1CCN(CCCN2CC3(CC[NH+](C4CCCCC4)CC3)OC2=O)CC1 ZINC000072434866 211120090 /nfs/dbraw/zinc/12/00/90/211120090.db2.gz QKSASXFUTIVMER-UHFFFAOYSA-N 2 0 392.588 2.634 50 0 GFAARP CCOC(=O)[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1cc[nH+]c(C)c1)C2 ZINC000096149216 535601647 /nfs/dbraw/zinc/60/16/47/535601647.db2.gz HCEUSWDCOGOSHR-WOIUINJBSA-N 2 0 387.524 2.651 50 0 GFAARP CC1(C)CC(NC(=O)CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000001504285 570264108 /nfs/dbraw/zinc/26/41/08/570264108.db2.gz KVGKANWUAULXNI-UHFFFAOYSA-N 2 0 394.604 2.617 50 0 GFAARP c1ccc(CN2CCC[NH2+]CCN(Cc3ccccc3)CCC[NH2+]CC2)cc1 ZINC000022861601 570332198 /nfs/dbraw/zinc/33/21/98/570332198.db2.gz QWGFFCRTIFBAFJ-UHFFFAOYSA-N 2 0 380.580 2.964 50 0 GFAARP COc1ccc(CC[NH+]2CCC(CN(C)C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000012582194 570684310 /nfs/dbraw/zinc/68/43/10/570684310.db2.gz HKBIRBARIVUGNC-QFIPXVFZSA-N 2 0 387.568 2.892 50 0 GFAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2cccc3nonc32)CC1 ZINC000055228677 570688195 /nfs/dbraw/zinc/68/81/95/570688195.db2.gz WMXGDWCWKFADTA-UHFFFAOYSA-N 2 0 395.507 2.978 50 0 GFAARP O[C@H](COc1cccc(C[NH2+]C2CCOCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000014950927 210131298 /nfs/dbraw/zinc/13/12/98/210131298.db2.gz DUHOQBOHBJTLMU-QHCPKHFHSA-N 2 0 396.531 2.753 50 0 GFAARP C[NH+](C)Cc1cccc(C[N@@H+]2C[C@H]3C[NH+](C4CCCCC4)C[C@@]3(C(=O)[O-])C2)c1 ZINC000096180752 211318196 /nfs/dbraw/zinc/31/81/96/211318196.db2.gz PLBUPMZKNZEGLO-REWPJTCUSA-N 2 0 385.552 2.899 50 0 GFAARP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000095521661 211267677 /nfs/dbraw/zinc/26/76/77/211267677.db2.gz MUMODIBIDJGFBJ-MRXNPFEDSA-N 2 0 387.524 2.573 50 0 GFAARP O=C(NCCF)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082121215 211162582 /nfs/dbraw/zinc/16/25/82/211162582.db2.gz NVYOGTYDDPGXHF-UHFFFAOYSA-N 2 0 375.532 2.881 50 0 GFAARP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)cc1Cl ZINC000072454656 211121870 /nfs/dbraw/zinc/12/18/70/211121870.db2.gz HCBLCMPCLUJTRG-FUHWJXTLSA-N 2 0 379.932 2.771 50 0 GFAARP Cc1n[nH]c(C)c1CC[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000020452998 210336437 /nfs/dbraw/zinc/33/64/37/210336437.db2.gz OOMQAIFMYUIRTQ-HXUWFJFHSA-N 2 0 386.540 2.584 50 0 GFAARP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000048341240 570239656 /nfs/dbraw/zinc/23/96/56/570239656.db2.gz SYQNGPDWKDOFDP-UHFFFAOYSA-N 2 0 396.384 2.888 50 0 GFAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)/C=C/C(C)C ZINC000014960946 210133970 /nfs/dbraw/zinc/13/39/70/210133970.db2.gz ADKGLTNAVQDMNV-SHBDEGQCSA-N 2 0 379.589 2.870 50 0 GFAARP [NH3+][C@H]1CCCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000095528512 211271956 /nfs/dbraw/zinc/27/19/56/211271956.db2.gz WZNDGDOYKGFJSL-IBGZPJMESA-N 2 0 394.519 2.688 50 0 GFAARP CC[N@@H+](Cc1nnc(-c2cccnc2)o1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000095507591 211257498 /nfs/dbraw/zinc/25/74/98/211257498.db2.gz QVMZFYCMBWDBCO-UHFFFAOYSA-N 2 0 398.555 2.760 50 0 GFAARP COc1cc(C[NH+]2CC(c3cccnc3)C2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095499280 211252765 /nfs/dbraw/zinc/25/27/65/211252765.db2.gz FFNYQXLUQNSGMA-OAQYLSRUSA-N 2 0 399.535 2.770 50 0 GFAARP COCC[N@H+](C)CCN1CC2(CC[NH+](C3CCCCCCC3)CC2)OC1=O ZINC000072456929 211121745 /nfs/dbraw/zinc/12/17/45/211121745.db2.gz PWZYVPZTMZQETD-UHFFFAOYSA-N 2 0 381.561 2.964 50 0 GFAARP Cc1ncc2c(c1CNC(=O)c1cccc(CC3CC[NH2+]CC3)c1)CC[NH2+]C2 ZINC000072170114 211080888 /nfs/dbraw/zinc/08/08/88/211080888.db2.gz YIZRGICFILRZES-UHFFFAOYSA-N 2 0 378.520 2.508 50 0 GFAARP C[C@@H]1C[NH+](CC2CC[NH+](CCCn3c4ccccc4oc3=O)CC2)C[C@@H](C)O1 ZINC000069016720 211032523 /nfs/dbraw/zinc/03/25/23/211032523.db2.gz YXOHWNVJKLOVPI-QZTJIDSGSA-N 2 0 387.524 2.806 50 0 GFAARP Cc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](CCCO)C3)c2c1 ZINC000091426741 136176471 /nfs/dbraw/zinc/17/64/71/136176471.db2.gz HYGYWRMAESJNJY-KNQAVFIVSA-N 2 0 382.552 2.758 50 0 GFAARP CN(CC[NH+](C)C)C(=O)c1cccc(OC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000096165621 535850506 /nfs/dbraw/zinc/85/05/06/535850506.db2.gz BMEMNPAGIFLDAM-UHFFFAOYSA-N 2 0 382.508 2.763 50 0 GFAARP C[NH+]1CCC(N2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2CCO)CC1 ZINC000104349506 570257060 /nfs/dbraw/zinc/25/70/60/570257060.db2.gz BTCZTEWQZFUVRI-LJQANCHMSA-N 2 0 385.474 2.668 50 0 GFAARP Cc1cccc(CC[NH2+]Cc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)n1 ZINC000015063410 210145094 /nfs/dbraw/zinc/14/50/94/210145094.db2.gz ZGCXSCPNPNMXED-QFIPXVFZSA-N 2 0 383.536 2.948 50 0 GFAARP COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccccc1Cl ZINC000013732785 210086924 /nfs/dbraw/zinc/08/69/24/210086924.db2.gz FJWMEIVATCBLLK-UHFFFAOYSA-N 2 0 378.900 2.989 50 0 GFAARP C[NH+]1CCN(C[C@H](O)COc2ccc(C[NH+]3CCCCCCCC3)cc2)CC1 ZINC000095522266 211266035 /nfs/dbraw/zinc/26/60/35/211266035.db2.gz XNPXHHCQFBKMQG-QFIPXVFZSA-N 2 0 389.584 2.830 50 0 GFAARP COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)[C@H]2C=CC[NH2+]2)CC1 ZINC000095509765 211259963 /nfs/dbraw/zinc/25/99/63/211259963.db2.gz TYBAOUYLMRPGKZ-OAQYLSRUSA-N 2 0 385.552 2.920 50 0 GFAARP Cn1c(C[N@@H+]2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)cc2ccccc21 ZINC000091794561 211207567 /nfs/dbraw/zinc/20/75/67/211207567.db2.gz MCSOVYNXPHIOQY-QHCPKHFHSA-N 2 0 382.552 2.945 50 0 GFAARP C[N@H+](CCc1ccccc1)C1(C(=O)N2CCC[NH2+]CC2)Cc2ccccc2C1 ZINC000072146950 211076580 /nfs/dbraw/zinc/07/65/80/211076580.db2.gz NULGNHSUMBNBRI-UHFFFAOYSA-N 2 0 377.532 2.520 50 0 GFAARP Cc1cccc(C[NH2+][C@H]2CCc3c(sc4ncn(CC[NH+](C)C)c(=O)c43)C2)c1 ZINC000012128230 221155734 /nfs/dbraw/zinc/15/57/34/221155734.db2.gz KHRVTKFUHFOXTM-KRWDZBQOSA-N 2 0 396.560 2.975 50 0 GFAARP CC[NH+](CC)CCc1ccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000252488093 570475545 /nfs/dbraw/zinc/47/55/45/570475545.db2.gz IJIJFBRWMUWKME-UHFFFAOYSA-N 2 0 389.588 2.718 50 0 GFAARP O=C(C[NH+]1CCCCCC1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055060647 570681005 /nfs/dbraw/zinc/68/10/05/570681005.db2.gz WEGJEFVOMZCWRZ-QFIPXVFZSA-N 2 0 384.568 2.676 50 0 GFAARP C[N@H+](C[C@H](O)COc1cccc(C[NH2+]CCn2cccn2)c1)C1CCCCC1 ZINC000011759399 221124254 /nfs/dbraw/zinc/12/42/54/221124254.db2.gz IRKOJTUCCFIYSL-NRFANRHFSA-N 2 0 386.540 2.677 50 0 GFAARP CC[NH+](CC)CC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000014965957 221322327 /nfs/dbraw/zinc/32/23/27/221322327.db2.gz UULNBAZERVSAON-LJQANCHMSA-N 2 0 375.557 2.750 50 0 GFAARP C[NH+](C)[C@@H]1c2ccccc2C2(CC[NH+](Cc3cccc4nonc43)CC2)[C@H]1O ZINC000020386833 221485531 /nfs/dbraw/zinc/48/55/31/221485531.db2.gz GTPHGQYXDILUMO-RTWAWAEBSA-N 2 0 378.476 2.734 50 0 GFAARP Cc1cc(N2CCC([N@@H+]3CCOC4(CCCC4)C3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095506996 136180286 /nfs/dbraw/zinc/18/02/86/136180286.db2.gz MYGIHIQRMHDEOK-UHFFFAOYSA-N 2 0 385.556 2.999 50 0 GFAARP Cc1ccnc(N2CCC(n3cc(CO[C@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)nn3)CC2)c1 ZINC000102823492 136190486 /nfs/dbraw/zinc/19/04/86/136190486.db2.gz SWLUCBPYENKVEM-YRWFTTLQSA-N 2 0 382.512 2.623 50 0 GFAARP CC(C)c1ccc(-c2noc(CC[NH+]3CCN(CCC[NH+](C)C)CC3)n2)cc1 ZINC000072405396 222256079 /nfs/dbraw/zinc/25/60/79/222256079.db2.gz KQZTXPYXALBTNP-UHFFFAOYSA-N 2 0 385.556 2.972 50 0 GFAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccnnc1 ZINC000095526483 222351766 /nfs/dbraw/zinc/35/17/66/222351766.db2.gz YTSYTOOZNFDFIZ-SFHVURJKSA-N 2 0 399.514 2.532 50 0 GFAARP CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014733807 570857951 /nfs/dbraw/zinc/85/79/51/570857951.db2.gz VRPXZQNXEUFAJH-UHFFFAOYSA-N 2 0 380.577 2.739 50 0 GFAARP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000109071585 570996345 /nfs/dbraw/zinc/99/63/45/570996345.db2.gz MCBOBGBKEJWYAF-UHFFFAOYSA-N 2 0 394.922 2.826 50 0 GFAARP CC(C)c1ncc(C[NH+]2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)cn1 ZINC000091690229 571025972 /nfs/dbraw/zinc/02/59/72/571025972.db2.gz ODXGWFKCGWHWHN-UHFFFAOYSA-N 2 0 387.572 2.756 50 0 GFAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)s3)C[C@@H]2CO)CC1 ZINC000095365913 571057940 /nfs/dbraw/zinc/05/79/40/571057940.db2.gz PCHWQNCEARXFDT-WOJBJXKFSA-N 2 0 385.577 2.703 50 0 GFAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(C4CCCC4)s3)C[C@@H]2CO)CC1 ZINC000095383394 571069045 /nfs/dbraw/zinc/06/90/45/571069045.db2.gz PBPCHTGJKKLODE-RTBURBONSA-N 2 0 377.598 2.693 50 0 GFAARP CC[NH+]1CCN(Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000095509166 222340177 /nfs/dbraw/zinc/34/01/77/222340177.db2.gz JJRFDXPKJYWVSD-HSZRJFAPSA-N 2 0 397.563 2.696 50 0 GFAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH+]2CCCOCC2)cc1 ZINC000095513126 222343035 /nfs/dbraw/zinc/34/30/35/222343035.db2.gz NTQFTIAFODHMNA-QFIPXVFZSA-N 2 0 384.520 2.781 50 0 GFAARP CC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cc2n(n1)CCC[NH+](CC(C)C)C2 ZINC000082107903 222308412 /nfs/dbraw/zinc/30/84/12/222308412.db2.gz CIDFLLIAZMVLJX-LJQANCHMSA-N 2 0 375.561 2.626 50 0 GFAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH+]2CCC3(CCO3)CC2)cc1OC ZINC000095525676 222350111 /nfs/dbraw/zinc/35/01/11/222350111.db2.gz VTBBQNKLUADUTL-LJQANCHMSA-N 2 0 392.540 2.532 50 0 GFAARP Cc1cc(OC(F)F)ccc1NC(=O)N1CCN(C2CC[NH+](C)CC2)CC1 ZINC000097819634 570257736 /nfs/dbraw/zinc/25/77/36/570257736.db2.gz JYCKWJNTRVGPPJ-UHFFFAOYSA-N 2 0 382.455 2.840 50 0 GFAARP O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014541127 221311989 /nfs/dbraw/zinc/31/19/89/221311989.db2.gz CUTZOYUNUWEFQO-VSKRKVRLSA-N 2 0 385.552 2.516 50 0 GFAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)/C=C/C(C)C ZINC000014960942 221320326 /nfs/dbraw/zinc/32/03/26/221320326.db2.gz ADKGLTNAVQDMNV-MHNQQFQPSA-N 2 0 379.589 2.870 50 0 GFAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cn4ccsc4n3)C2)CC1 ZINC000015066932 221329603 /nfs/dbraw/zinc/32/96/03/221329603.db2.gz IHXQJMOEUVHKKQ-MRXNPFEDSA-N 2 0 389.569 2.597 50 0 GFAARP CCc1cc(N2CCC([NH2+][C@@H](C)Cc3cccc(C)n3)CC2)nc(N(C)C)[nH+]1 ZINC000095527711 136181682 /nfs/dbraw/zinc/18/16/82/136181682.db2.gz ISTAGTAHLBQAGI-KRWDZBQOSA-N 2 0 382.556 2.998 50 0 GFAARP O[C@@]1(C[NH+]2CCC(c3nnc4n3CCCCC4)CC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063884533 222068669 /nfs/dbraw/zinc/06/86/69/222068669.db2.gz OZSZUCOMGSFJMH-DENIHFKCSA-N 2 0 387.572 2.563 50 0 GFAARP OC[C@@]1(O)CCC[N@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)CC1 ZINC000072165280 222215383 /nfs/dbraw/zinc/21/53/83/222215383.db2.gz ZWCAAVLARGUCDU-JOCHJYFZSA-N 2 0 376.541 2.651 50 0 GFAARP C[N@H+](CCCO)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095519373 222346791 /nfs/dbraw/zinc/34/67/91/222346791.db2.gz SUXDUQWDNOAUGN-LJQANCHMSA-N 2 0 384.948 2.770 50 0 GFAARP C[N@@H+]1CCN(Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1(C)C ZINC000095528044 222350507 /nfs/dbraw/zinc/35/05/07/222350507.db2.gz DXZQHWXAAKDIRU-OAQYLSRUSA-N 2 0 389.584 2.828 50 0 GFAARP COc1ccc(C[N@H+](C)C2CCSCC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095525843 222351784 /nfs/dbraw/zinc/35/17/84/222351784.db2.gz NVRIWTPWTWOBOB-IBGZPJMESA-N 2 0 394.581 2.858 50 0 GFAARP COc1ccc2ccccc2c1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000104493366 570259125 /nfs/dbraw/zinc/25/91/25/570259125.db2.gz IQKAIMIICRKBCD-OAQYLSRUSA-N 2 0 397.563 2.811 50 0 GFAARP C[NH+](C)[C@@H]1c2ccccc2C2(CC[NH+](C3CSCCSC3)CC2)[C@H]1O ZINC000020601722 570270311 /nfs/dbraw/zinc/27/03/11/570270311.db2.gz YCIIIMODDIHRCU-MOPGFXCFSA-N 2 0 378.607 2.846 50 0 GFAARP O=C(N[C@@H]1CCOC1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000019300431 570973962 /nfs/dbraw/zinc/97/39/62/570973962.db2.gz GKHWEMZSDQYBJR-JOCHJYFZSA-N 2 0 399.579 2.701 50 0 GFAARP COc1ccc(C[NH+]2CCC(OC)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012706770 221220127 /nfs/dbraw/zinc/22/01/27/221220127.db2.gz MHLOVTWMRJIZBV-LJQANCHMSA-N 2 0 392.540 2.532 50 0 GFAARP O[C@@H](COc1cccc(C[NH2+]C2CCOCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000014950922 221320096 /nfs/dbraw/zinc/32/00/96/221320096.db2.gz DUHOQBOHBJTLMU-HSZRJFAPSA-N 2 0 396.531 2.753 50 0 GFAARP Cc1cccc(N2CCC([NH+]3CCN([C@H]4C[NH+]5CCC4CC5)CC3)CC2)c1C ZINC000065381152 136163635 /nfs/dbraw/zinc/16/36/35/136163635.db2.gz JIZCJTOSGCCLLB-DEOSSOPVSA-N 2 0 382.596 2.984 50 0 GFAARP CCc1cc(N2CCC([NH2+]C[C@@H](O)c3cccc(F)c3)CC2)nc(N(C)C)[nH+]1 ZINC000095527773 136181734 /nfs/dbraw/zinc/18/17/34/136181734.db2.gz MNNZJQBRXPNLFP-LJQANCHMSA-N 2 0 387.503 2.536 50 0 GFAARP C[C@@H](C[N@@H+]1CCc2ccccc2C1)n1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065451660 222129572 /nfs/dbraw/zinc/12/95/72/222129572.db2.gz YIXSSVVSYPCDED-AWEZNQCLSA-N 2 0 380.517 2.723 50 0 GFAARP O=C(C[C@@H]1COCC[NH2+]1)NC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000072132935 222210126 /nfs/dbraw/zinc/21/01/26/222210126.db2.gz ARQOUFLTNDZLBO-HSZRJFAPSA-N 2 0 393.531 2.813 50 0 GFAARP c1cn(C2CC[NH+](C3CCSCC3)CC2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072477855 222267139 /nfs/dbraw/zinc/26/71/39/222267139.db2.gz GQAOGHJHXCQYKG-UHFFFAOYSA-N 2 0 386.569 2.772 50 0 GFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1cccnc1Cl)CC[NH+](C)CC2 ZINC000072417945 222257573 /nfs/dbraw/zinc/25/75/73/222257573.db2.gz PNYDDUWNIOZTLC-QGZVFWFLSA-N 2 0 378.948 2.890 50 0 GFAARP CCCOc1ccc(Cl)cc1CNC(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072476588 222264870 /nfs/dbraw/zinc/26/48/70/222264870.db2.gz BJTWUGWVAMDWMY-KRWDZBQOSA-N 2 0 379.932 2.819 50 0 GFAARP [NH3+][C@H]1CCN(C(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)C1 ZINC000095511859 222342204 /nfs/dbraw/zinc/34/22/04/222342204.db2.gz RCEKYCXINYXKIS-NRFANRHFSA-N 2 0 393.531 2.946 50 0 GFAARP O[C@@H](COc1cccc(C[N@@H+]2CCCOCC2)c1)C[NH+]1CCc2ccccc2C1 ZINC000095516975 222343829 /nfs/dbraw/zinc/34/38/29/222343829.db2.gz PXWDRRXCNDSTBI-HSZRJFAPSA-N 2 0 396.531 2.707 50 0 GFAARP Cc1cc(-n2nc(-c3ccncc3)nc2C[C@H]2C[N@H+](C(C)C)CCO2)cc[nH+]1 ZINC000097551354 570246050 /nfs/dbraw/zinc/24/60/50/570246050.db2.gz FMYUZNZANZEGRR-IBGZPJMESA-N 2 0 378.480 2.684 50 0 GFAARP CCn1nc(C)c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1C ZINC000237036211 570324793 /nfs/dbraw/zinc/32/47/93/570324793.db2.gz JPQXQPPSYLEDRU-FQEVSTJZSA-N 2 0 383.540 2.507 50 0 GFAARP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3CC)C2)CC1 ZINC000249688160 570722665 /nfs/dbraw/zinc/72/26/65/570722665.db2.gz HYZZJQPVLJTLTP-LJQANCHMSA-N 2 0 397.567 2.822 50 0 GFAARP COc1ccc(CC[N@H+](C)[C@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)cc1OC ZINC000072145107 570871143 /nfs/dbraw/zinc/87/11/43/570871143.db2.gz XZHRTXPNCSJEDG-KRWDZBQOSA-N 2 0 385.512 2.528 50 0 GFAARP CCOC1CC(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)(N2CCOCC2)C1 ZINC000193403622 570971515 /nfs/dbraw/zinc/97/15/15/570971515.db2.gz IBQXPWPRHALEDN-UHFFFAOYSA-N 2 0 379.589 2.643 50 0 GFAARP Cc1cccc(C[NH2+][C@@H]2CCc3c(sc4ncn(CC[NH+](C)C)c(=O)c43)C2)c1 ZINC000012128236 221155993 /nfs/dbraw/zinc/15/59/93/221155993.db2.gz KHRVTKFUHFOXTM-QGZVFWFLSA-N 2 0 396.560 2.975 50 0 GFAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCn1cccn1)C1CCCCC1 ZINC000012303354 221178563 /nfs/dbraw/zinc/17/85/63/221178563.db2.gz GGJQXMUREDHOME-OAQYLSRUSA-N 2 0 386.540 2.677 50 0 GFAARP CC(C)c1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)on1 ZINC000012466025 221198812 /nfs/dbraw/zinc/19/88/12/221198812.db2.gz QRGDZJUWGIPPBP-QGZVFWFLSA-N 2 0 376.545 2.999 50 0 GFAARP COc1ccc(CC[NH+]2CCC(CN(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000012582201 221209578 /nfs/dbraw/zinc/20/95/78/221209578.db2.gz HKBIRBARIVUGNC-JOCHJYFZSA-N 2 0 387.568 2.892 50 0 GFAARP C[NH+](C)[C@@H]1CCN(C(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)C1 ZINC000012594040 221212980 /nfs/dbraw/zinc/21/29/80/221212980.db2.gz VHSPHHBISFMVBT-HSZRJFAPSA-N 2 0 391.559 2.861 50 0 GFAARP CC(C)OCC[NH2+]Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000014980775 221323859 /nfs/dbraw/zinc/32/38/59/221323859.db2.gz JJFGTRHDMPMKDD-HSZRJFAPSA-N 2 0 398.547 2.999 50 0 GFAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCc2cccnc2)cc1OC ZINC000015068105 221329877 /nfs/dbraw/zinc/32/98/77/221329877.db2.gz UUHTVLVZRNSING-FQEVSTJZSA-N 2 0 387.524 2.504 50 0 GFAARP C[N@@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH+]2CCCCCC2)CC1 ZINC000015077455 221331482 /nfs/dbraw/zinc/33/14/82/221331482.db2.gz AEAVSAIAYIWODQ-UHFFFAOYSA-N 2 0 375.542 2.550 50 0 GFAARP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC000072122430 222208521 /nfs/dbraw/zinc/20/85/21/222208521.db2.gz WPCFYHLVPFEGMR-UXHICEINSA-N 2 0 383.540 2.605 50 0 GFAARP C[C@@H]1CN(C(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)CC[NH2+]1 ZINC000072163969 222215416 /nfs/dbraw/zinc/21/54/16/222215416.db2.gz GEFWOZBUHRNWLR-LJQANCHMSA-N 2 0 377.532 2.519 50 0 GFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1ccc(OCC)cc1)CC[NH+](C)CC2 ZINC000072429109 222258644 /nfs/dbraw/zinc/25/86/44/222258644.db2.gz IUXNFBOJPNDKQC-NRFANRHFSA-N 2 0 387.568 2.940 50 0 GFAARP Oc1cccc(C[NH+]2CCC(n3ccnc3-c3cc4n(n3)CCC[NH2+]C4)CC2)c1 ZINC000072435872 222261291 /nfs/dbraw/zinc/26/12/91/222261291.db2.gz PLNYYQAJWIPFMG-UHFFFAOYSA-N 2 0 392.507 2.783 50 0 GFAARP COc1ccc(C[NH+]2CC(c3cccnc3)C2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095496995 222331245 /nfs/dbraw/zinc/33/12/45/222331245.db2.gz KSMHENKRTHWBAZ-OAQYLSRUSA-N 2 0 399.535 2.770 50 0 GFAARP O[C@@H](COc1ccccc1C[NH+]1CCC(F)(F)CC1)C[NH+]1CCSCC1 ZINC000095524469 222348150 /nfs/dbraw/zinc/34/81/50/222348150.db2.gz MUWGKYOPHUWJNL-QGZVFWFLSA-N 2 0 386.508 2.706 50 0 GFAARP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC4CC[NH+](C[C@@H]5CCOC5)CC4)[C@@H]3C2)cc1 ZINC000096003166 222369452 /nfs/dbraw/zinc/36/94/52/222369452.db2.gz QDUABLWEOHMWCC-ZQRMPTRQSA-N 2 0 383.580 2.988 50 0 GFAARP COc1ccc2ccccc2c1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000097711712 570250472 /nfs/dbraw/zinc/25/04/72/570250472.db2.gz IQKAIMIICRKBCD-NRFANRHFSA-N 2 0 397.563 2.811 50 0 GFAARP CC(=O)c1cccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000104446179 570258781 /nfs/dbraw/zinc/25/87/81/570258781.db2.gz UIGARGGLIGTSFC-HSZRJFAPSA-N 2 0 387.568 2.631 50 0 GFAARP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000121899920 570261793 /nfs/dbraw/zinc/26/17/93/570261793.db2.gz LCZWWMZNRKUXDF-FQEVSTJZSA-N 2 0 379.508 2.578 50 0 GFAARP Cc1nc(-c2ccc(N3CCC([NH2+]CCN4CC[NH2+]CC4)CC3)cc2)cs1 ZINC000022892343 570333176 /nfs/dbraw/zinc/33/31/76/570333176.db2.gz QRJBPTARRAUSSL-UHFFFAOYSA-N 2 0 385.581 2.582 50 0 GFAARP CC[NH+](CC)CCO[C@H]1CCN([C@H](C)C(=O)Nc2cccc3ncccc32)C1 ZINC000106922859 570968841 /nfs/dbraw/zinc/96/88/41/570968841.db2.gz GMCKXMPOAKRABF-MSOLQXFVSA-N 2 0 384.524 2.995 50 0 GFAARP C[NH+]1CCC(N2CC[N@H+](Cc3ccccc3-c3ccco3)C[C@@H]2CCO)CC1 ZINC000019635447 571022317 /nfs/dbraw/zinc/02/23/17/571022317.db2.gz RXGPNCQDPIHIMH-NRFANRHFSA-N 2 0 383.536 2.909 50 0 GFAARP Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)C[NH2+]CCC[NH+](C)C)[C@H]3CCC1 ZINC000001802064 212257478 /nfs/dbraw/zinc/25/74/78/212257478.db2.gz MADDWMBZCFZGJC-GCJKJVERSA-N 2 0 384.568 2.545 50 0 GFAARP Cc1[nH+]c(N(C)C)nc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c1C ZINC000095500648 136180045 /nfs/dbraw/zinc/18/00/45/136180045.db2.gz FFNYCUBDGZJXRC-SFHVURJKSA-N 2 0 385.560 2.692 50 0 GFAARP CCCc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)[nH]n1 ZINC000071761081 222194202 /nfs/dbraw/zinc/19/42/02/222194202.db2.gz ZUPSHFFVLQZLTI-SFHVURJKSA-N 2 0 389.588 2.905 50 0 GFAARP Cc1oc(-c2cccs2)nc1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000072277234 222218246 /nfs/dbraw/zinc/21/82/46/222218246.db2.gz RAHOVQVXGSZHOL-UHFFFAOYSA-N 2 0 392.569 2.986 50 0 GFAARP C[NH+](C)[C@H]1CCN(CCCN2CC3(CC[NH+](C4CCCCC4)CC3)OC2=O)C1 ZINC000072410111 222255082 /nfs/dbraw/zinc/25/50/82/222255082.db2.gz KKUMVYSJMPMILE-FQEVSTJZSA-N 2 0 392.588 2.632 50 0 GFAARP O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCC[NH2+]CC1 ZINC000095500488 222333805 /nfs/dbraw/zinc/33/38/05/222333805.db2.gz RKXXFMQARCWOSL-UHFFFAOYSA-N 2 0 394.519 2.561 50 0 GFAARP [NH3+]C[C@H]1CCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000095530424 222353214 /nfs/dbraw/zinc/35/32/14/222353214.db2.gz JIGMSOWEUSOIHF-GOSISDBHSA-N 2 0 394.519 2.546 50 0 GFAARP Cn1cc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000096879131 570232787 /nfs/dbraw/zinc/23/27/87/570232787.db2.gz ZQPAZOCTYRZLQJ-UHFFFAOYSA-N 2 0 396.583 2.624 50 0 GFAARP OC[C@@H]1C[N@H+](Cc2cccnc2)CCC12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000097413401 570243535 /nfs/dbraw/zinc/24/35/35/570243535.db2.gz AXAQYMQFULSKDU-NRFANRHFSA-N 2 0 381.520 2.884 50 0 GFAARP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237520999 570377014 /nfs/dbraw/zinc/37/70/14/570377014.db2.gz LFFUEKZUONFNRS-KRWDZBQOSA-N 2 0 396.539 2.507 50 0 GFAARP C[NH+](C)[C@H]1CCN(C(=O)C2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)C1 ZINC000039364745 570590075 /nfs/dbraw/zinc/59/00/75/570590075.db2.gz NNYVJNTWJMNAFK-QFIPXVFZSA-N 2 0 377.532 2.819 50 0 GFAARP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000109071638 570996129 /nfs/dbraw/zinc/99/61/29/570996129.db2.gz FPMMMKHXBCHTHN-UHFFFAOYSA-N 2 0 378.467 2.561 50 0 GFAARP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000109071580 570996172 /nfs/dbraw/zinc/99/61/72/570996172.db2.gz QZBKRRMQEGWVAY-UHFFFAOYSA-N 2 0 376.932 2.687 50 0 GFAARP O=C(NCC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000012074630 221148027 /nfs/dbraw/zinc/14/80/27/221148027.db2.gz QBAOFJWMNSSMJS-NRFANRHFSA-N 2 0 381.564 2.856 50 0 GFAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]C1CCOCC1)C1CCCCC1 ZINC000012301245 221177232 /nfs/dbraw/zinc/17/72/32/221177232.db2.gz FQKBDVIBYLFVPS-NRFANRHFSA-N 2 0 376.541 2.959 50 0 GFAARP Cc1cc(C)n(CCCNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000012433074 221194042 /nfs/dbraw/zinc/19/40/42/221194042.db2.gz SFOVAHJREVXFEQ-FQEVSTJZSA-N 2 0 389.588 2.591 50 0 GFAARP COc1cc(C(=O)N[C@H]2CC[NH2+]C2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095521054 222346286 /nfs/dbraw/zinc/34/62/86/222346286.db2.gz LBWREEQSGNUHOD-KRWDZBQOSA-N 2 0 387.524 2.573 50 0 GFAARP COc1ccc(C[N@H+](C)C2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095525083 222348531 /nfs/dbraw/zinc/34/85/31/222348531.db2.gz RBSPHDIFBJMERX-FQEVSTJZSA-N 2 0 392.540 2.532 50 0 GFAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH+]2CCC3(CCO3)CC2)cc1OC ZINC000095525675 222351171 /nfs/dbraw/zinc/35/11/71/222351171.db2.gz VTBBQNKLUADUTL-IBGZPJMESA-N 2 0 392.540 2.532 50 0 GFAARP [NH3+][C@@H]1CCN(C(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)C1 ZINC000095529679 222352938 /nfs/dbraw/zinc/35/29/38/222352938.db2.gz RCEKYCXINYXKIS-OAQYLSRUSA-N 2 0 393.531 2.946 50 0 GFAARP Cc1cc(-n2nc(-c3ccncc3)nc2C[C@@H]2C[N@H+](C(C)C)CCO2)cc[nH+]1 ZINC000097551353 570246023 /nfs/dbraw/zinc/24/60/23/570246023.db2.gz FMYUZNZANZEGRR-LJQANCHMSA-N 2 0 378.480 2.684 50 0 GFAARP C[NH+]1CCC(N2CC[N@H+](Cc3ccc(-c4ccco4)cc3)C[C@H]2CCO)CC1 ZINC000106687579 570261326 /nfs/dbraw/zinc/26/13/26/570261326.db2.gz NXYQNOKTCVWXML-JOCHJYFZSA-N 2 0 383.536 2.909 50 0 GFAARP CN1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000051760577 570410150 /nfs/dbraw/zinc/41/01/50/570410150.db2.gz UCCQXSMVLOFKCZ-IBGZPJMESA-N 2 0 384.568 2.964 50 0 GFAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000244659838 570436050 /nfs/dbraw/zinc/43/60/50/570436050.db2.gz HJTZNDZNKBAPTP-DNVJHFABSA-N 2 0 398.547 2.951 50 0 GFAARP COc1ccc(CC[N@H+](C)[C@@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)cc1OC ZINC000072145108 570871135 /nfs/dbraw/zinc/87/11/35/570871135.db2.gz XZHRTXPNCSJEDG-QGZVFWFLSA-N 2 0 385.512 2.528 50 0 GFAARP CC(C)N(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072146691 570871975 /nfs/dbraw/zinc/87/19/75/570871975.db2.gz GTFDXSMNLHXKTO-HXUWFJFHSA-N 2 0 381.524 2.545 50 0 GFAARP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC4CC[NH+](C[C@@H]5CCOC5)CC4)[C@H]3C2)cc1 ZINC000108386726 570987520 /nfs/dbraw/zinc/98/75/20/570987520.db2.gz QDUABLWEOHMWCC-WMIMKTLMSA-N 2 0 383.580 2.988 50 0 GFAARP C[N@@H+]1CCCN(C[C@H]2C[C@H](CO)C[NH+](Cc3cc4ccccc4s3)C2)CC1 ZINC000091650115 571022410 /nfs/dbraw/zinc/02/24/10/571022410.db2.gz PYOMFQAOQWJWRK-MOPGFXCFSA-N 2 0 387.593 2.969 50 0 GFAARP Cc1c(CSC(N)=[NH2+])c(C)c(CSC(N)=[NH2+])c(C)c1CSC(N)=[NH2+] ZINC000004377411 220713290 /nfs/dbraw/zinc/71/32/90/220713290.db2.gz YLUAJJOJUIQYQS-UHFFFAOYSA-N 3 0 384.600 2.992 50 0 GFAARP CCC[N@@H+]1CCCN(c2ccc(C(=O)NCC[C@@H]3CCCC[NH+]3C)cn2)CC1 ZINC000011952257 221140247 /nfs/dbraw/zinc/14/02/47/221140247.db2.gz SOQMIBLMTFINEK-FQEVSTJZSA-N 2 0 387.572 2.608 50 0 GFAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cnc4ccccn34)C2)CC1 ZINC000012206934 221167603 /nfs/dbraw/zinc/16/76/03/221167603.db2.gz QLIGSTKVJZSKMJ-SFHVURJKSA-N 2 0 383.540 2.535 50 0 GFAARP O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014541128 221312465 /nfs/dbraw/zinc/31/24/65/221312465.db2.gz CUTZOYUNUWEFQO-YPAWHYETSA-N 2 0 385.552 2.516 50 0 GFAARP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057174348 222030552 /nfs/dbraw/zinc/03/05/52/222030552.db2.gz WSMYKPAFRBZLEV-JOCHJYFZSA-N 2 0 378.520 2.827 50 0 GFAARP COc1cc(C[N@H+]2CC=C(C)CC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095513059 222341484 /nfs/dbraw/zinc/34/14/84/222341484.db2.gz BEDSHMNMBWIZNR-LJQANCHMSA-N 2 0 392.565 2.636 50 0 GFAARP CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)[C@@H]1C=CC[NH2+]1 ZINC000095513189 222342731 /nfs/dbraw/zinc/34/27/31/222342731.db2.gz RDSQBEHPQBIXQN-IBGZPJMESA-N 2 0 395.469 2.946 50 0 GFAARP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000095519270 222346551 /nfs/dbraw/zinc/34/65/51/222346551.db2.gz STTBUBXANRTVMM-MRXNPFEDSA-N 2 0 387.524 2.654 50 0 GFAARP CCc1ncc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@H]3CO)cn1 ZINC000097527796 570245762 /nfs/dbraw/zinc/24/57/62/570245762.db2.gz CVBPYJLKCVOCQF-FQEVSTJZSA-N 2 0 384.524 2.729 50 0 GFAARP CCC[NH+]1CCC(N2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)CC1 ZINC000023372928 570357885 /nfs/dbraw/zinc/35/78/85/570357885.db2.gz IPFMAMAKPUOSHG-QFIPXVFZSA-N 2 0 389.584 2.747 50 0 GFAARP O=C(CCCCCCC(=O)NCC[NH+]1CCCCC1)NCC[NH+]1CCCCC1 ZINC000005517240 570624302 /nfs/dbraw/zinc/62/43/02/570624302.db2.gz WLJDUPHTQUREGG-UHFFFAOYSA-N 2 0 394.604 2.531 50 0 GFAARP CCn1ccc2ccc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](CCCO)C3)cc21 ZINC000091998081 571039430 /nfs/dbraw/zinc/03/94/30/571039430.db2.gz SLJLMJQGRSRTSP-PKTZIBPZSA-N 2 0 398.595 2.872 50 0 GFAARP Cc1nn(C)cc1C[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000011874132 204359695 /nfs/dbraw/zinc/35/96/95/204359695.db2.gz GBLJVLCSHSBARH-OAQYLSRUSA-N 2 0 386.540 2.634 50 0 GFAARP CCc1nc(C)c(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000011933602 204361662 /nfs/dbraw/zinc/36/16/62/204361662.db2.gz FSBKWQBSAQYLKV-GOSISDBHSA-N 2 0 389.588 2.825 50 0 GFAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH2+]CC2(C)COC2)c1)C1CCCCC1 ZINC000012208947 204384011 /nfs/dbraw/zinc/38/40/11/204384011.db2.gz DYYPRVYUOVCNRJ-HXUWFJFHSA-N 2 0 376.541 2.817 50 0 GFAARP Cc1cc(Cl)ccc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000048308689 205117652 /nfs/dbraw/zinc/11/76/52/205117652.db2.gz LAQBQEPTZJIEQM-UHFFFAOYSA-N 2 0 375.966 2.543 50 0 GFAARP CSc1ccccc1C[N@@H+]1CCCN(C)CC[NH+](C)CCCN(C)CC1 ZINC000068604339 205272483 /nfs/dbraw/zinc/27/24/83/205272483.db2.gz CLYIGDZTTTUXDJ-UHFFFAOYSA-N 2 0 378.630 2.800 50 0 GFAARP Cc1cc(C[NH+]2CCC3(CCN(Cc4cscn4)C[C@H]3CO)CC2)on1 ZINC000097288826 570240483 /nfs/dbraw/zinc/24/04/83/570240483.db2.gz MOHVSMMLDXYSEY-INIZCTEOSA-N 2 0 376.526 2.536 50 0 GFAARP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000121900075 570261819 /nfs/dbraw/zinc/26/18/19/570261819.db2.gz LCZWWMZNRKUXDF-HXUWFJFHSA-N 2 0 379.508 2.578 50 0 GFAARP Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NCC[NH+](C)C)cc3)CC2)cc1C ZINC000034668109 570292668 /nfs/dbraw/zinc/29/26/68/570292668.db2.gz GZSNNUOLBVVDQB-UHFFFAOYSA-N 2 0 394.563 2.917 50 0 GFAARP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC4CC[NH+](C[C@H]5CCOC5)CC4)[C@H]3C2)cc1 ZINC000108386729 570987677 /nfs/dbraw/zinc/98/76/77/570987677.db2.gz QDUABLWEOHMWCC-KJBBBAAKSA-N 2 0 383.580 2.988 50 0 GFAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2CO)CC1 ZINC000091829657 571032165 /nfs/dbraw/zinc/03/21/65/571032165.db2.gz RTWODNCKBGVWMH-DNQXCXABSA-N 2 0 379.548 2.641 50 0 GFAARP COc1cc(C[NH2+]Cc2ccc(C)o2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012203372 204382958 /nfs/dbraw/zinc/38/29/58/204382958.db2.gz ZDISCHVDDPEXOT-GOSISDBHSA-N 2 0 376.497 2.966 50 0 GFAARP CC(C)([NH3+])c1cn(C2CCN(C(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)nn1 ZINC000048327167 205120306 /nfs/dbraw/zinc/12/03/06/205120306.db2.gz FQXSAMGEADXHQF-UHFFFAOYSA-N 2 0 390.576 2.582 50 0 GFAARP CC(C)C[NH+]1CCN(C(=O)c2nn(CC[NH+]3CCCCC3)c3ccccc32)CC1 ZINC000064761064 205195952 /nfs/dbraw/zinc/19/59/52/205195952.db2.gz PHXIZVAIIAPQBT-UHFFFAOYSA-N 2 0 397.567 2.936 50 0 GFAARP CC[NH+](CC)CCN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000299762712 206186313 /nfs/dbraw/zinc/18/63/13/206186313.db2.gz XBNBRFRQOBYIMF-INIZCTEOSA-N 2 0 395.931 2.881 50 0 GFAARP Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)C[NH2+]CCC[NH+](C)C)[C@H]3CCC1 ZINC000012437175 570662643 /nfs/dbraw/zinc/66/26/43/570662643.db2.gz MADDWMBZCFZGJC-AVRDEDQJSA-N 2 0 384.568 2.545 50 0 GFAARP C[N@@H+](CCC(=O)OCc1ccccc1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000225795742 529873596 /nfs/dbraw/zinc/87/35/96/529873596.db2.gz XNSZNIVEWXMUTE-UHFFFAOYSA-N 2 0 395.547 2.870 50 0 GFAARP COCC[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000011704083 204351178 /nfs/dbraw/zinc/35/11/78/204351178.db2.gz PPWLMXZSUDBVLL-QFIPXVFZSA-N 2 0 384.520 2.563 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+](Cc2cnc(N(C)C)s2)C[C@@H]2CCCO2)CC1 ZINC000012076347 204370938 /nfs/dbraw/zinc/37/09/38/204370938.db2.gz GMLAJMZNJIIKFU-SFHVURJKSA-N 2 0 396.601 2.549 50 0 GFAARP C[N@H+](C[C@H](O)COc1cccc(C[NH2+]CC2(C)COC2)c1)C1CCCCC1 ZINC000012208955 204383821 /nfs/dbraw/zinc/38/38/21/204383821.db2.gz DYYPRVYUOVCNRJ-FQEVSTJZSA-N 2 0 376.541 2.817 50 0 GFAARP CC[C@H]1CCCC[N@@H+]1CC(=O)NCc1cc2n(n1)CCC[NH+](CC(C)C)C2 ZINC000082107904 205387326 /nfs/dbraw/zinc/38/73/26/205387326.db2.gz CIDFLLIAZMVLJX-IBGZPJMESA-N 2 0 375.561 2.626 50 0 GFAARP CC(C)n1c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+][C@@H](C)C3)C2)nc2ccccc21 ZINC000248167250 206135018 /nfs/dbraw/zinc/13/50/18/206135018.db2.gz PCYACDGZIRXIJM-ZWKOTPCHSA-N 2 0 383.540 2.650 50 0 GFAARP CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000248091152 206136262 /nfs/dbraw/zinc/13/62/62/206136262.db2.gz VIAUYCSRLFWZBD-LJQANCHMSA-N 2 0 397.567 2.730 50 0 GFAARP CNC(=O)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000123447297 206208747 /nfs/dbraw/zinc/20/87/47/206208747.db2.gz LATVDZLPNPHCRD-HDICACEKSA-N 2 0 381.520 2.945 50 0 GFAARP CN(C)c1ncc(C[N@@H+]2CCC3(CC[NH+](CC4CC4)CC3)[C@@H](CO)C2)s1 ZINC000097272415 570240510 /nfs/dbraw/zinc/24/05/10/570240510.db2.gz PQGPUYHNNSLFFO-QGZVFWFLSA-N 2 0 378.586 2.516 50 0 GFAARP COc1ccc(CC[NH+]2CCC(CN(C)C(=O)C3CC[NH+](C)CC3)CC2)cc1 ZINC000012704116 570699624 /nfs/dbraw/zinc/69/96/24/570699624.db2.gz CLDMLDGSLUUCFC-UHFFFAOYSA-N 2 0 387.568 2.750 50 0 GFAARP O[C@@H](COc1ccccc1C[NH2+]Cc1ccc(F)cc1)C[NH+]1CCSCC1 ZINC000014964630 570867201 /nfs/dbraw/zinc/86/72/01/570867201.db2.gz XUDHROAHIBHLNI-HXUWFJFHSA-N 2 0 390.524 2.904 50 0 GFAARP O=C(c1ccn[nH]1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095511591 571082605 /nfs/dbraw/zinc/08/26/05/571082605.db2.gz LJGRBYZAWCVSPW-IBGZPJMESA-N 2 0 387.572 2.992 50 0 GFAARP COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095521740 571087234 /nfs/dbraw/zinc/08/72/34/571087234.db2.gz IOQVFPVGDFBPQM-SFHVURJKSA-N 2 0 394.581 2.858 50 0 GFAARP CC[NH+](CC)CCCNC(=O)c1ccc(C(=O)NCCC[NH+](CC)CC)cc1 ZINC000004947855 204096088 /nfs/dbraw/zinc/09/60/88/204096088.db2.gz XAOMXYJZAHWISV-UHFFFAOYSA-N 2 0 390.572 2.610 50 0 GFAARP COc1ccc(C[NH2+]Cc2ccsc2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000011759709 204352325 /nfs/dbraw/zinc/35/23/25/204352325.db2.gz JUYQECHGUIWKFL-SFHVURJKSA-N 2 0 376.522 2.882 50 0 GFAARP COCCC[NH2+]Cc1ccc(OC)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011878505 204358714 /nfs/dbraw/zinc/35/87/14/204358714.db2.gz KSKMPTQHXJNEGP-FQEVSTJZSA-N 2 0 394.556 2.827 50 0 GFAARP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC1CCCCC1)C2 ZINC000072122306 205306072 /nfs/dbraw/zinc/30/60/72/205306072.db2.gz IKIRKCWDWGBZLF-JOCHJYFZSA-N 2 0 388.556 2.630 50 0 GFAARP c1cn(CC[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072469530 205353818 /nfs/dbraw/zinc/35/38/18/205353818.db2.gz HQPBKZKUWTZHDY-LJQANCHMSA-N 2 0 376.508 2.729 50 0 GFAARP Nc1nc(NCC2CC[NH+](CCc3ccccc3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244811671 206130271 /nfs/dbraw/zinc/13/02/71/206130271.db2.gz SIYMYTBNSXOJJB-KDURUIRLSA-N 2 0 380.540 2.630 50 0 GFAARP [NH3+][C@H]1C[C@@H](c2cc(N3CC[NH+](C4CCCCC4)CC3)nc(N3CCCC3)n2)C1 ZINC000244724406 206130301 /nfs/dbraw/zinc/13/03/01/206130301.db2.gz MTGSMGOAVYFVOG-HDICACEKSA-N 2 0 384.572 2.736 50 0 GFAARP Cc1cc(N2CCC([NH2+]CCCc3ccccn3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095520823 136181289 /nfs/dbraw/zinc/18/12/89/136181289.db2.gz WTMWJXOKUSUZOZ-UHFFFAOYSA-N 2 0 380.540 2.971 50 0 GFAARP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)C1 ZINC000048488640 570658843 /nfs/dbraw/zinc/65/88/43/570658843.db2.gz DHGRHXGLRAFYGY-QGZVFWFLSA-N 2 0 375.476 2.670 50 0 GFAARP C[NH+](C)CC(C)(C)C[NH2+]C[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000006906527 570697921 /nfs/dbraw/zinc/69/79/21/570697921.db2.gz HTNPAIRIGRDVHR-FQEVSTJZSA-N 2 0 384.520 2.835 50 0 GFAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cn(C)c4ccccc34)C[C@H]2CCO)CC1 ZINC000104636293 570901002 /nfs/dbraw/zinc/90/10/02/570901002.db2.gz OVRIJMIJXVOYRH-JOCHJYFZSA-N 2 0 398.595 2.920 50 0 GFAARP Cc1[nH]c2c(cccc2C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)c1C ZINC000091845832 571032784 /nfs/dbraw/zinc/03/27/84/571032784.db2.gz GYEXNEWWZYIACY-OFNKIYASSA-N 2 0 398.595 2.995 50 0 GFAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cccc(-c4ccc(C)o4)c3)C[C@@H]2CO)CC1 ZINC000095369939 571060155 /nfs/dbraw/zinc/06/01/55/571060155.db2.gz NCWNMTBOWXMNSB-DHIUTWEWSA-N 2 0 397.563 2.933 50 0 GFAARP Cc1cc(C)c2[nH+]ccc(N3C[C@H](CO)[C@H](C[NH+]4CCC(CO)CC4)C3)c2c1 ZINC000095369684 571060197 /nfs/dbraw/zinc/06/01/97/571060197.db2.gz BNJJXRLRTDFYPV-WOJBJXKFSA-N 2 0 383.536 2.601 50 0 GFAARP O[C@H](COc1ccccc1C[NH+]1CCC(F)(F)CC1)C[NH+]1CCSCC1 ZINC000095524470 571089720 /nfs/dbraw/zinc/08/97/20/571089720.db2.gz MUWGKYOPHUWJNL-KRWDZBQOSA-N 2 0 386.508 2.706 50 0 GFAARP CCOc1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccc1O ZINC000004698620 204065847 /nfs/dbraw/zinc/06/58/47/204065847.db2.gz AZXANITWMMENPY-UHFFFAOYSA-N 2 0 391.556 2.707 50 0 GFAARP Cc1nn(C)cc1C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000011717379 204351049 /nfs/dbraw/zinc/35/10/49/204351049.db2.gz XALRFSKCLBLDEK-NRFANRHFSA-N 2 0 386.540 2.586 50 0 GFAARP CCC[NH+]1CCC(N2C[C@@H]([NH2+]Cc3cccc(C)c3)C[C@H]2C(=O)NCC)CC1 ZINC000023338360 204804093 /nfs/dbraw/zinc/80/40/93/204804093.db2.gz UEPKEHOEXNSEBG-UNMCSNQZSA-N 2 0 386.584 2.538 50 0 GFAARP O=C(NCC[NH+]1CCCCC1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930158 205075745 /nfs/dbraw/zinc/07/57/45/205075745.db2.gz MHPUZJOUOYCFLP-UHFFFAOYSA-N 2 0 397.523 2.551 50 0 GFAARP C[N@H+](CCc1ccccc1)C1(C(=O)N2[C@@H]3CC[C@H]2C[NH2+]C3)Cc2ccccc2C1 ZINC000072134494 205308144 /nfs/dbraw/zinc/30/81/44/205308144.db2.gz ZVQDGFBJYHPYTB-ZRZAMGCNSA-N 2 0 389.543 2.661 50 0 GFAARP CCOC(=O)[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1ccco1)C2 ZINC000072133732 205308437 /nfs/dbraw/zinc/30/84/37/205308437.db2.gz RBIJCIXVEFGAKL-DBXWQHBBSA-N 2 0 376.497 2.536 50 0 GFAARP COCc1nc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244763814 206130498 /nfs/dbraw/zinc/13/04/98/206130498.db2.gz OVZUVGOCBLZWRA-OTWHNJEPSA-N 2 0 381.524 2.904 50 0 GFAARP C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2ccc(O)c(Cl)c2)CC3)CC1 ZINC000014996370 570223156 /nfs/dbraw/zinc/22/31/56/570223156.db2.gz IDSOENLSPMTWQA-QGZVFWFLSA-N 2 0 391.943 2.812 50 0 GFAARP CCc1nc(C)c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)[nH]1 ZINC000105903410 570305825 /nfs/dbraw/zinc/30/58/25/570305825.db2.gz BQJGSMKTNGAARS-IBGZPJMESA-N 2 0 386.540 2.666 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc3c2OCO3)C[C@H]2CCCO2)CC1 ZINC000014954517 570865807 /nfs/dbraw/zinc/86/58/07/570865807.db2.gz IOWUBNBXBCDSBP-HXUWFJFHSA-N 2 0 390.524 2.755 50 0 GFAARP C[NH+](C)CCCNCc1c2cc(Cl)ccc2oc1C(=O)NCCC[NH+](C)C ZINC000015017632 570872270 /nfs/dbraw/zinc/87/22/70/570872270.db2.gz QAGMPOIONABFSH-UHFFFAOYSA-N 2 0 394.947 2.809 50 0 GFAARP C[C@@H]1CN(C[C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091690595 571025864 /nfs/dbraw/zinc/02/58/64/571025864.db2.gz UWTYJGCHRZSZAX-CYGHRXIMSA-N 2 0 386.458 2.855 50 0 GFAARP Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)CC1 ZINC000095352501 571050088 /nfs/dbraw/zinc/05/00/88/571050088.db2.gz XBGBZSHRVNQEFO-LJQANCHMSA-N 2 0 382.508 2.934 50 0 GFAARP COc1cc(C[N@H+](C)CC(C)C)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095529584 571092518 /nfs/dbraw/zinc/09/25/18/571092518.db2.gz TVXLLPZKSCWDAK-SFHVURJKSA-N 2 0 382.570 2.572 50 0 GFAARP C[NH+](C)CC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095530411 571092729 /nfs/dbraw/zinc/09/27/29/571092729.db2.gz OEZOCFBMROSXTG-FQEVSTJZSA-N 2 0 391.531 2.607 50 0 GFAARP COc1ccc(C[NH2+]CCCSC)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012112256 204372928 /nfs/dbraw/zinc/37/29/28/204372928.db2.gz FSHBQUZVZFBDIE-GOSISDBHSA-N 2 0 382.570 2.764 50 0 GFAARP CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)[nH]n1 ZINC000071761079 205293803 /nfs/dbraw/zinc/29/38/03/205293803.db2.gz ZUPSHFFVLQZLTI-GOSISDBHSA-N 2 0 389.588 2.905 50 0 GFAARP COc1cccc(N2CCC([NH+]3CCC(n4cc(C(C)(C)[NH3+])nn4)CC3)CC2)c1 ZINC000020706796 570275207 /nfs/dbraw/zinc/27/52/07/570275207.db2.gz UXVSLSPUHPYKPA-UHFFFAOYSA-N 2 0 398.555 2.786 50 0 GFAARP CC(C)c1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)on1 ZINC000012466030 570671840 /nfs/dbraw/zinc/67/18/40/570671840.db2.gz QRGDZJUWGIPPBP-KRWDZBQOSA-N 2 0 376.545 2.999 50 0 GFAARP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012505637 570675433 /nfs/dbraw/zinc/67/54/33/570675433.db2.gz ASEHVVLKXTZFBY-OAQYLSRUSA-N 2 0 376.504 2.819 50 0 GFAARP CNc1nc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc(C)[nH+]1 ZINC000095387058 571070705 /nfs/dbraw/zinc/07/07/05/571070705.db2.gz PPLQWVLNOKSRMC-ZLGUVYLKSA-N 2 0 393.491 2.622 50 0 GFAARP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](Cc1cnc(-c3ccco3)nc1)CC2 ZINC000095502467 571077081 /nfs/dbraw/zinc/07/70/81/571077081.db2.gz ZPJINWSAXOXOPR-UHFFFAOYSA-N 2 0 397.523 2.503 50 0 GFAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@H+](C)CC(C)(C)C)c2)CC1 ZINC000095512465 571083079 /nfs/dbraw/zinc/08/30/79/571083079.db2.gz GQXFXYWZOTVPLY-HXUWFJFHSA-N 2 0 377.573 2.542 50 0 GFAARP COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095521739 571087149 /nfs/dbraw/zinc/08/71/49/571087149.db2.gz IOQVFPVGDFBPQM-GOSISDBHSA-N 2 0 394.581 2.858 50 0 GFAARP [NH3+]CC1CC[NH+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)CC1 ZINC000048187650 205115633 /nfs/dbraw/zinc/11/56/33/205115633.db2.gz AADQBWXRSKPEBX-UHFFFAOYSA-N 2 0 375.476 2.670 50 0 GFAARP Cc1ccccc1-n1cc(C[NH+]2CCC3(CN(CC[NH+](C)C)C(=O)O3)CC2)cn1 ZINC000072473197 205353791 /nfs/dbraw/zinc/35/37/91/205353791.db2.gz BKPQDCSYGSSSIG-UHFFFAOYSA-N 2 0 397.523 2.529 50 0 GFAARP CCCC[N@@H+]1CCn2nc(CNC(=O)CC[NH+]3CCCCCCC3)cc2C1 ZINC000299793375 206192090 /nfs/dbraw/zinc/19/20/90/206192090.db2.gz ISPBPDBTMLSDSB-UHFFFAOYSA-N 2 0 375.561 2.771 50 0 GFAARP CN(C)c1ncc(C[N@@H+]2CCC3(CC[NH+](CC4CC4)CC3)[C@H](CO)C2)s1 ZINC000097272414 570240431 /nfs/dbraw/zinc/24/04/31/570240431.db2.gz PQGPUYHNNSLFFO-KRWDZBQOSA-N 2 0 378.586 2.516 50 0 GFAARP Cn1cc(C[NH+]2CCC(CCC(=O)NCC[NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000012718011 570705450 /nfs/dbraw/zinc/70/54/50/570705450.db2.gz ZGUMZSFXJKWZBU-UHFFFAOYSA-N 2 0 397.567 2.757 50 0 GFAARP C[NH+](C)CCCNCc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000011770565 204352395 /nfs/dbraw/zinc/35/23/95/204352395.db2.gz LLHQEFNWAHXMIC-HXUWFJFHSA-N 2 0 397.991 2.997 50 0 GFAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCn2cccn2)cc1 ZINC000012054360 204369528 /nfs/dbraw/zinc/36/95/28/204369528.db2.gz AQOPSECYUKYRBY-QFIPXVFZSA-N 2 0 394.519 2.545 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+](Cc2cnc(N(C)C)s2)C[C@H]2CCCO2)CC1 ZINC000012076348 204369945 /nfs/dbraw/zinc/36/99/45/204369945.db2.gz GMLAJMZNJIIKFU-GOSISDBHSA-N 2 0 396.601 2.549 50 0 GFAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1OC ZINC000015070833 204558812 /nfs/dbraw/zinc/55/88/12/204558812.db2.gz ZYUVBEOPAWQWAH-LJQANCHMSA-N 2 0 394.556 2.562 50 0 GFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1nc(C)c(C)s1)CC[NH+](C)CC2 ZINC000072432361 205350382 /nfs/dbraw/zinc/35/03/82/205350382.db2.gz YUXRIGRRKYZZDO-QGZVFWFLSA-N 2 0 378.586 2.615 50 0 GFAARP c1cn(CC[N@@H+]2CC[C@@H](c3ccccc3)C2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072480897 205354699 /nfs/dbraw/zinc/35/46/99/205354699.db2.gz IOCYSMAINRBVDY-LJQANCHMSA-N 2 0 376.508 2.729 50 0 GFAARP C[NH+](CCNC(=O)NCC[N@@H+](C)Cc1cccc(F)c1)Cc1cccc(F)c1 ZINC000225618314 206060311 /nfs/dbraw/zinc/06/03/11/206060311.db2.gz HSWUHJWXQCVQLE-UHFFFAOYSA-N 2 0 390.478 2.828 50 0 GFAARP OC[C@H]1C[N@@H+](C2CCN(c3ccccc3F)CC2)C[C@H]1C[NH+]1CCCCC1 ZINC000091655847 136176784 /nfs/dbraw/zinc/17/67/84/136176784.db2.gz OJTBWBMFVITGRR-RTBURBONSA-N 2 0 375.532 2.821 50 0 GFAARP Cc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000034684148 570301322 /nfs/dbraw/zinc/30/13/22/570301322.db2.gz UCTGQRUXEMREJX-UHFFFAOYSA-N 2 0 380.536 2.609 50 0 GFAARP COc1cc(C[N@@H+]2CCC[C@@H](N(C)CCC[NH+](C)C)C2)cc(OC)c1OC ZINC000023374955 570358319 /nfs/dbraw/zinc/35/83/19/570358319.db2.gz DQMPLFFARQDGPG-GOSISDBHSA-N 2 0 379.545 2.560 50 0 GFAARP CC(C)OCC[NH2+]Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000014980773 570513151 /nfs/dbraw/zinc/51/31/51/570513151.db2.gz JJFGTRHDMPMKDD-QHCPKHFHSA-N 2 0 398.547 2.999 50 0 GFAARP Cc1ccccc1C[NH+]1CCC(C[N@H+](CC(=O)N(C)C)C[C@H]2CCCO2)CC1 ZINC000095505973 571078576 /nfs/dbraw/zinc/07/85/76/571078576.db2.gz BYYDOKFRKVMICN-JOCHJYFZSA-N 2 0 387.568 2.776 50 0 GFAARP CC[NH+]1CCN(Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000095509167 571080257 /nfs/dbraw/zinc/08/02/57/571080257.db2.gz JJRFDXPKJYWVSD-QHCPKHFHSA-N 2 0 397.563 2.696 50 0 GFAARP COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)c(OC)c1 ZINC000095523823 571089016 /nfs/dbraw/zinc/08/90/16/571089016.db2.gz NMRBFLBZPCFFNA-KRWDZBQOSA-N 2 0 389.540 2.564 50 0 GFAARP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000241588045 231038925 /nfs/dbraw/zinc/03/89/25/231038925.db2.gz OZERHNRGFYBTHG-KAGYGMCKSA-N 2 0 387.568 2.639 50 0 GFAARP O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426530377 231235299 /nfs/dbraw/zinc/23/52/99/231235299.db2.gz GEURJJPLQHNEHY-NRFANRHFSA-N 2 0 393.535 2.793 50 0 GFAARP CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)CC1 ZINC000015079080 207046796 /nfs/dbraw/zinc/04/67/96/207046796.db2.gz CTAHNXVKTXBJNE-JOCHJYFZSA-N 2 0 398.595 2.840 50 0 GFAARP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2c2ccc(C(N)=O)s2)CC1 ZINC000020448690 207193382 /nfs/dbraw/zinc/19/33/82/207193382.db2.gz NBVPISBNWALXAW-SFHVURJKSA-N 2 0 384.549 2.936 50 0 GFAARP CC[NH+](CC)CCc1ccc(NC(=O)NC2CC[NH+](CCOC)CC2)cc1 ZINC000241657618 209020004 /nfs/dbraw/zinc/02/00/04/209020004.db2.gz PXUDJBXWXZMFPE-UHFFFAOYSA-N 2 0 376.545 2.803 50 0 GFAARP CC(C)n1c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+][C@H](C)C3)C2)nc2ccccc21 ZINC000248167246 209029791 /nfs/dbraw/zinc/02/97/91/209029791.db2.gz PCYACDGZIRXIJM-QZTJIDSGSA-N 2 0 383.540 2.650 50 0 GFAARP CCC[NH+]1CCC([NH2+]C2CCN(c3cccc(N4CCNC4=O)c3)CC2)CC1 ZINC000063847646 136156585 /nfs/dbraw/zinc/15/65/85/136156585.db2.gz KTJKAFRGHZQVLC-UHFFFAOYSA-N 2 0 385.556 2.649 50 0 GFAARP Cc1cc(N2CCC([NH2+]CC3(c4ccccc4)CCOCC3)CC2)nc(N)[nH+]1 ZINC000095371181 136178549 /nfs/dbraw/zinc/17/85/49/136178549.db2.gz NLWYAZREEKLIFN-UHFFFAOYSA-N 2 0 381.524 2.674 50 0 GFAARP CCc1cc(N2CCC([NH2+]CCc3ccccn3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095528716 136181621 /nfs/dbraw/zinc/18/16/21/136181621.db2.gz NZHXHFUNEGNHKX-UHFFFAOYSA-N 2 0 380.540 2.835 50 0 GFAARP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)c2)C1 ZINC000048179138 570655789 /nfs/dbraw/zinc/65/57/89/570655789.db2.gz NWTMUQVKXJZGCJ-QGZVFWFLSA-N 2 0 375.476 2.670 50 0 GFAARP COc1cc(C[NH2+]C2CCCCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012458560 570670162 /nfs/dbraw/zinc/67/01/62/570670162.db2.gz GRGSXZODDOLPME-LJQANCHMSA-N 2 0 394.581 2.906 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc3nonc32)C[C@@H]2CCCO2)CC1 ZINC000055245026 570688754 /nfs/dbraw/zinc/68/87/54/570688754.db2.gz JDFKQNIKKHBFKW-IBGZPJMESA-N 2 0 388.512 2.562 50 0 GFAARP c1ccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC[NH2+]C5)CC2)nc1 ZINC000065385108 570764034 /nfs/dbraw/zinc/76/40/34/570764034.db2.gz KYKDZPTWKPPZIN-UHFFFAOYSA-N 2 0 380.521 2.809 50 0 GFAARP CO[C@]12CC[N@H+](Cc3cccc(Cl)c3)[C@H]1C[C@H](NC(=O)C[NH+](C)C)CC2 ZINC000534632902 570910865 /nfs/dbraw/zinc/91/08/65/570910865.db2.gz KOYMFLQOWFTMSA-WSTZPKSXSA-N 2 0 379.932 2.530 50 0 GFAARP CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000089977213 570922549 /nfs/dbraw/zinc/92/25/49/570922549.db2.gz CAZRVGSBVPONLY-SIKLNZKXSA-N 2 0 386.584 2.572 50 0 GFAARP OCC1CC[NH+]([C@H]2CCCN(C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000020534284 207200770 /nfs/dbraw/zinc/20/07/70/207200770.db2.gz MNKHJOOYNKVLOH-DEOSSOPVSA-N 2 0 385.596 2.862 50 0 GFAARP C[N@H+](CCN1CC2(CC[NH+](C[C@H]3CCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072421261 208020209 /nfs/dbraw/zinc/02/02/09/208020209.db2.gz FCWLQCNGCIPQEU-GOSISDBHSA-N 2 0 379.545 2.574 50 0 GFAARP C[N@H+](CCCN1CC2(CCN([C@H]3CCC[NH2+]C3)CC2)OC1=O)C1CCCCC1 ZINC000072477157 208030956 /nfs/dbraw/zinc/03/09/56/208030956.db2.gz QPFFFDPGNRLFDF-FQEVSTJZSA-N 2 0 392.588 2.680 50 0 GFAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@@H]2CO)CC1 ZINC000095371837 208167646 /nfs/dbraw/zinc/16/76/46/208167646.db2.gz YLOIOPUSVMAOQC-DHIUTWEWSA-N 2 0 391.559 2.546 50 0 GFAARP O=C(N[C@@H]1CC[NH2+]C1)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095500944 208202310 /nfs/dbraw/zinc/20/23/10/208202310.db2.gz AAWJTSAONOUKKS-OAQYLSRUSA-N 2 0 393.531 2.864 50 0 GFAARP COc1cc(C[N@H+](C)Cc2ccnc(C)c2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095515280 208214435 /nfs/dbraw/zinc/21/44/35/208214435.db2.gz ATMDMPOXEQMGCU-NRFANRHFSA-N 2 0 399.535 2.866 50 0 GFAARP CC[N@H+](Cc1ccccc1)C1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CC1 ZINC000244811764 209024919 /nfs/dbraw/zinc/02/49/19/209024919.db2.gz SKRKSISBGJJZSQ-HDICACEKSA-N 2 0 380.540 2.754 50 0 GFAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000011816303 570584267 /nfs/dbraw/zinc/58/42/67/570584267.db2.gz ACLQLPOHNLXXNG-UHFFFAOYSA-N 2 0 395.931 2.739 50 0 GFAARP COc1cc(C[NH2+]C2CCCCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012458558 570670372 /nfs/dbraw/zinc/67/03/72/570670372.db2.gz GRGSXZODDOLPME-IBGZPJMESA-N 2 0 394.581 2.906 50 0 GFAARP Cc1nccc(C2CC[NH+](CCN3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC000252505382 570728901 /nfs/dbraw/zinc/72/89/01/570728901.db2.gz VQPHSPIWFZLQRC-UHFFFAOYSA-N 2 0 379.552 2.782 50 0 GFAARP Cc1c(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)c2ccccc2n1CC(N)=O ZINC000065507474 570771304 /nfs/dbraw/zinc/77/13/04/570771304.db2.gz KUQJTPVFXUDDPE-UHFFFAOYSA-N 2 0 391.519 2.851 50 0 GFAARP O=C([C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CC=CC1 ZINC000071589646 570841223 /nfs/dbraw/zinc/84/12/23/570841223.db2.gz GJEAYZZLDJPXLA-NRFANRHFSA-N 2 0 379.548 2.729 50 0 GFAARP CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000089977214 570922725 /nfs/dbraw/zinc/92/27/25/570922725.db2.gz CAZRVGSBVPONLY-UGKGYDQZSA-N 2 0 386.584 2.572 50 0 GFAARP Cc1c[nH+]ccc1NCCNC(=O)N1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000426501750 231230401 /nfs/dbraw/zinc/23/04/01/231230401.db2.gz ITMNORAAJRHGNV-OAQYLSRUSA-N 2 0 381.524 2.832 50 0 GFAARP O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014748959 207029667 /nfs/dbraw/zinc/02/96/67/207029667.db2.gz NNKNPPJVZBFWQP-ZLNRFVROSA-N 2 0 399.579 2.558 50 0 GFAARP CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)CC1 ZINC000015079082 207046692 /nfs/dbraw/zinc/04/66/92/207046692.db2.gz CTAHNXVKTXBJNE-QFIPXVFZSA-N 2 0 398.595 2.840 50 0 GFAARP Cc1ncsc1CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000019229352 207109507 /nfs/dbraw/zinc/10/95/07/207109507.db2.gz DHMCSSWTNFXDHO-KRWDZBQOSA-N 2 0 378.586 2.695 50 0 GFAARP CCn1c(CC[NH2+]C2CCN(c3cc(C)[nH+]c(N)n3)CC2)nc2ccccc21 ZINC000095357412 136178056 /nfs/dbraw/zinc/17/80/56/136178056.db2.gz CAUJZDRXSRZQLE-UHFFFAOYSA-N 2 0 379.512 2.538 50 0 GFAARP CCc1cc(N2CCC([NH2+]Cc3cnn(C)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000095512118 136180729 /nfs/dbraw/zinc/18/07/29/136180729.db2.gz ZROYXEBQZZKBJG-UHFFFAOYSA-N 2 0 383.544 2.521 50 0 GFAARP CCCc1cc(N2CCC([NH+]3CCN(c4cc[nH+]cc4)CC3)CC2)nc(C)n1 ZINC000095518185 136181022 /nfs/dbraw/zinc/18/10/22/136181022.db2.gz ZKZGRJPSRNLIAH-UHFFFAOYSA-N 2 0 380.540 2.924 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(OC)c(O)c2)C[C@@H]2CCCO2)CC1 ZINC000011841530 570586771 /nfs/dbraw/zinc/58/67/71/570586771.db2.gz QFAUYFQBKCBYPX-FQEVSTJZSA-N 2 0 392.540 2.740 50 0 GFAARP CCC[NH+]1CCC(N2CC[N@H+](Cc3ccc(OCC)cc3)[C@H](CCO)C2)CC1 ZINC000039536943 570593494 /nfs/dbraw/zinc/59/34/94/570593494.db2.gz ZJCZSTWPVBTVKY-JOCHJYFZSA-N 2 0 389.584 2.828 50 0 GFAARP COc1ccc(C[NH2+]CCCSC)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012112255 570609280 /nfs/dbraw/zinc/60/92/80/570609280.db2.gz FSHBQUZVZFBDIE-SFHVURJKSA-N 2 0 382.570 2.764 50 0 GFAARP COc1ccc(C[NH2+]CCc2cccnc2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012429767 570658624 /nfs/dbraw/zinc/65/86/24/570658624.db2.gz WQEAWNLEYRYFRD-OAQYLSRUSA-N 2 0 399.535 2.648 50 0 GFAARP O=c1c2c3c(sc2ncn1[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH2+]CC3 ZINC000065528917 570772423 /nfs/dbraw/zinc/77/24/23/570772423.db2.gz KTELGOKVPPOOFF-INIZCTEOSA-N 2 0 380.517 2.941 50 0 GFAARP CC1(C)CC([NH2+]C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC(C)(C)[NH2+]1 ZINC000067770881 570790135 /nfs/dbraw/zinc/79/01/35/570790135.db2.gz YSFDBUMIUZDRGA-QFIPXVFZSA-N 2 0 391.531 2.578 50 0 GFAARP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000109071640 570996198 /nfs/dbraw/zinc/99/61/98/570996198.db2.gz ANSLJMAWPILSCG-UHFFFAOYSA-N 2 0 376.932 2.936 50 0 GFAARP CCn1cc(CN(C[C@@H]2CCC[N@@H+]2CC)CC2CC[NH+](CCOC)CC2)cn1 ZINC000020784621 207215507 /nfs/dbraw/zinc/21/55/07/207215507.db2.gz FDENXPXCOQMATK-QFIPXVFZSA-N 2 0 391.604 2.548 50 0 GFAARP Cc1c[nH+]ccc1N1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)CC1 ZINC000095352502 208157639 /nfs/dbraw/zinc/15/76/39/208157639.db2.gz XBGBZSHRVNQEFO-IBGZPJMESA-N 2 0 382.508 2.934 50 0 GFAARP O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000095509709 208211773 /nfs/dbraw/zinc/21/17/73/208211773.db2.gz WXSLIMCYWJGGJI-LJQANCHMSA-N 2 0 394.519 2.607 50 0 GFAARP Cc1ccccc1[C@]1(O)CC[N@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000244742261 209023609 /nfs/dbraw/zinc/02/36/09/209023609.db2.gz OENRFSRZAOFRJV-DEOSSOPVSA-N 2 0 379.548 2.706 50 0 GFAARP CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420970 570988286 /nfs/dbraw/zinc/98/82/86/570988286.db2.gz OQAZZXOWHMBMHG-GOSISDBHSA-N 2 0 383.540 2.694 50 0 GFAARP COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000020540775 207202950 /nfs/dbraw/zinc/20/29/50/207202950.db2.gz YNNXWRNMAOYCEH-OAQYLSRUSA-N 2 0 399.535 2.648 50 0 GFAARP COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000020540772 207203296 /nfs/dbraw/zinc/20/32/96/207203296.db2.gz YNNXWRNMAOYCEH-NRFANRHFSA-N 2 0 399.535 2.648 50 0 GFAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C(F)(F)F)CC[C@H]21 ZINC000072424765 208021797 /nfs/dbraw/zinc/02/17/97/208021797.db2.gz QHYUXJPBIAUFIA-SUMWQHHRSA-N 2 0 387.421 2.877 50 0 GFAARP CC(C)[N@H+](CCO)Cc1ccccc1OC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095515168 208213426 /nfs/dbraw/zinc/21/34/26/208213426.db2.gz YWOVDFZDLYUGBU-QHCPKHFHSA-N 2 0 398.547 2.687 50 0 GFAARP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000096007912 208254650 /nfs/dbraw/zinc/25/46/50/208254650.db2.gz IBYXXRSSSYGOKM-LEWJYISDSA-N 2 0 379.589 2.990 50 0 GFAARP COc1ccccc1C[NH+]1CCC2(CC1)CC[N@H+](Cc1cnc[nH]1)C[C@H]2CO ZINC000097076558 208335943 /nfs/dbraw/zinc/33/59/43/208335943.db2.gz VHBIXRPFXPYENL-IBGZPJMESA-N 2 0 384.524 2.515 50 0 GFAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(OC)c(OC)c1 ZINC000096402703 208317330 /nfs/dbraw/zinc/31/73/30/208317330.db2.gz YOXZHTWORLPQBO-LEVJEWGPSA-N 2 0 389.540 2.592 50 0 GFAARP CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cc(C[NH+]4CCCC4)cs3)CC2)O1 ZINC000299767583 209083754 /nfs/dbraw/zinc/08/37/54/209083754.db2.gz LWYYIHGCWHZJDZ-LJQANCHMSA-N 2 0 391.581 2.994 50 0 GFAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccoc1 ZINC000012055869 570602634 /nfs/dbraw/zinc/60/26/34/570602634.db2.gz WOMFGZFSODPOJN-HXUWFJFHSA-N 2 0 377.529 2.565 50 0 GFAARP C[N@@H+]1CCCN(Cc2cc3n(n2)CCC[NH+](C/C=C/c2ccccc2)C3)CC1 ZINC000072161086 570875035 /nfs/dbraw/zinc/87/50/35/570875035.db2.gz SOQWRZDLQSPOIK-BJMVGYQFSA-N 2 0 379.552 2.940 50 0 GFAARP C[C@@H](C[NH+](C)C)NC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072166002 570876465 /nfs/dbraw/zinc/87/64/65/570876465.db2.gz GVHNRKZCOJDGNH-IBGZPJMESA-N 2 0 379.548 2.765 50 0 GFAARP Nc1cc[nH+]cc1-c1cccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000426581358 231243723 /nfs/dbraw/zinc/24/37/23/231243723.db2.gz XKOBSPGKKZPWPC-IBGZPJMESA-N 2 0 380.492 2.534 50 0 GFAARP C[N@@H+]1CCCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)CC1 ZINC000072434336 208026085 /nfs/dbraw/zinc/02/60/85/208026085.db2.gz KUAWHPVZUZWAEO-UHFFFAOYSA-N 2 0 385.943 2.941 50 0 GFAARP CC(C)[NH+]1CCC(C[N@@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)CC1 ZINC000082109180 208081272 /nfs/dbraw/zinc/08/12/72/208081272.db2.gz ZABJFWCLPDAMSP-UHFFFAOYSA-N 2 0 387.572 2.626 50 0 GFAARP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000095953207 208241528 /nfs/dbraw/zinc/24/15/28/208241528.db2.gz RCTXKNHOVHTINP-UHFFFAOYSA-N 2 0 394.368 2.640 50 0 GFAARP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000095994293 208251366 /nfs/dbraw/zinc/25/13/66/208251366.db2.gz OZERHNRGFYBTHG-CBQOVEMMSA-N 2 0 387.568 2.639 50 0 GFAARP CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000248091146 209029274 /nfs/dbraw/zinc/02/92/74/209029274.db2.gz VIAUYCSRLFWZBD-IBGZPJMESA-N 2 0 397.567 2.730 50 0 GFAARP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Br)cc1F ZINC000048402258 570528817 /nfs/dbraw/zinc/52/88/17/570528817.db2.gz ZRRSMNDOUNBGKJ-UHFFFAOYSA-N 2 0 388.325 2.934 50 0 GFAARP c1ccc(C[N@@H+]2CC[C@@H](Nc3nc(-c4cccnc4)nc4c3CC[NH2+]C4)C2)cc1 ZINC000067756061 570789775 /nfs/dbraw/zinc/78/97/75/570789775.db2.gz VWGFECMCMZNOTD-LJQANCHMSA-N 2 0 386.503 2.871 50 0 GFAARP Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)C[NH2+]CCC[NH+](C)C)[C@@H]3CCC1 ZINC000004811610 570998827 /nfs/dbraw/zinc/99/88/27/570998827.db2.gz MADDWMBZCFZGJC-XMSQKQJNSA-N 2 0 384.568 2.545 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+](Cc2cnc(SC)nc2)C[C@@H]2CCCO2)CC1 ZINC000055270884 209113786 /nfs/dbraw/zinc/11/37/86/209113786.db2.gz VNYOJZCAIRFJSV-IBGZPJMESA-N 2 0 394.585 2.538 50 0 GFAARP Cc1nccn1CCC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000019222850 207107681 /nfs/dbraw/zinc/10/76/81/207107681.db2.gz QAADKHMLXWUBDT-NRFANRHFSA-N 2 0 386.540 2.597 50 0 GFAARP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)oc1C ZINC000019838155 207166593 /nfs/dbraw/zinc/16/65/93/207166593.db2.gz TVJMHWOCIANSJP-DNQXCXABSA-N 2 0 397.563 2.692 50 0 GFAARP CCC[NH+]1CCC(N2C[C@H]([NH2+]C3CCC(CC)CC3)C[C@H]2C(=O)NC)CC1 ZINC000020909707 207219775 /nfs/dbraw/zinc/21/97/75/207219775.db2.gz MUDXULPCSQHYKV-BRAJZSMUSA-N 2 0 378.605 2.608 50 0 GFAARP C[NH+](C)[C@@H]1CCN(CCCN2CC3(CC[NH+](C4CCCCC4)CC3)OC2=O)C1 ZINC000072410110 208020266 /nfs/dbraw/zinc/02/02/66/208020266.db2.gz KKUMVYSJMPMILE-HXUWFJFHSA-N 2 0 392.588 2.632 50 0 GFAARP COc1cc(C[N@H+](C)Cc2ccnc(C)c2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095515279 208215272 /nfs/dbraw/zinc/21/52/72/208215272.db2.gz ATMDMPOXEQMGCU-OAQYLSRUSA-N 2 0 399.535 2.866 50 0 GFAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccnnc1 ZINC000095526482 208225530 /nfs/dbraw/zinc/22/55/30/208225530.db2.gz YTSYTOOZNFDFIZ-GOSISDBHSA-N 2 0 399.514 2.532 50 0 GFAARP COc1cc(C(=O)N2CC[NH2+]CC2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095528601 208226467 /nfs/dbraw/zinc/22/64/67/208226467.db2.gz IDWQIZNRTFBYQL-UHFFFAOYSA-N 2 0 387.524 2.526 50 0 GFAARP Cc1cccc(CC[NH2+]Cc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)n1 ZINC000015063411 221327973 /nfs/dbraw/zinc/32/79/73/221327973.db2.gz ZGCXSCPNPNMXED-JOCHJYFZSA-N 2 0 383.536 2.948 50 0 GFAARP OC[C@H]1C[N@@H+](C2CCN(c3cccc(Cl)c3)CC2)C[C@H]1C[NH+]1CCCC1 ZINC000091873356 136177182 /nfs/dbraw/zinc/17/71/82/136177182.db2.gz MAWCNJWJATUTLU-QZTJIDSGSA-N 2 0 377.960 2.945 50 0 GFAARP CCc1nc(C)c(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000011933601 570593029 /nfs/dbraw/zinc/59/30/29/570593029.db2.gz FSBKWQBSAQYLKV-SFHVURJKSA-N 2 0 389.588 2.825 50 0 GFAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCc2cscn2)cc1OC ZINC000012468020 570671778 /nfs/dbraw/zinc/67/17/78/570671778.db2.gz UCGXTRUZRRJRFG-GOSISDBHSA-N 2 0 393.553 2.566 50 0 GFAARP C[NH+](C)[C@H]1CCN(C(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)C1 ZINC000012594043 570688835 /nfs/dbraw/zinc/68/88/35/570688835.db2.gz VHSPHHBISFMVBT-QHCPKHFHSA-N 2 0 391.559 2.861 50 0 GFAARP CCCC[NH+]1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000012712703 570703316 /nfs/dbraw/zinc/70/33/16/570703316.db2.gz VIZIPQPTOLUFHF-HXUWFJFHSA-N 2 0 387.572 2.608 50 0 GFAARP c1c(CN2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)nn2c1C[NH2+]CC2 ZINC000072162711 570875677 /nfs/dbraw/zinc/87/56/77/570875677.db2.gz KEBGPFUBILNBDR-HSZRJFAPSA-N 2 0 379.552 2.865 50 0 GFAARP CC(C)(CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[NH+]1CCCCC1 ZINC000061073231 570991860 /nfs/dbraw/zinc/99/18/60/570991860.db2.gz ADQJKQUAWHIXNY-UHFFFAOYSA-N 2 0 380.577 2.585 50 0 GFAARP O[C@H]1[C@H]([NH+]2CCC(O)(c3ccccc3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000023544090 207279638 /nfs/dbraw/zinc/27/96/38/207279638.db2.gz OSYMZKQUSCPIIY-YADHBBJMSA-N 2 0 378.516 2.707 50 0 GFAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc4cccnc43)C[C@@H]2CCO)CC1 ZINC000091469102 208119000 /nfs/dbraw/zinc/11/90/00/208119000.db2.gz CFKRQYPJZJUFKM-QHCPKHFHSA-N 2 0 396.579 2.976 50 0 GFAARP O=C(C[NH+]1CCCCCC1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095367970 208166491 /nfs/dbraw/zinc/16/64/91/208166491.db2.gz MALHESIXGOMSAH-MDNUFGMLSA-N 2 0 383.536 2.657 50 0 GFAARP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095383404 208173129 /nfs/dbraw/zinc/17/31/29/208173129.db2.gz NNMUDQMFWYLYPX-HXUWFJFHSA-N 2 0 378.520 2.943 50 0 GFAARP CC(C)[NH+]1CCN(Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095520563 208220347 /nfs/dbraw/zinc/22/03/47/208220347.db2.gz FZGRMCXUOJLEAI-JOCHJYFZSA-N 2 0 389.584 2.828 50 0 GFAARP COc1cc(C[N@H+](C)Cc2cccnc2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095529996 208229282 /nfs/dbraw/zinc/22/92/82/208229282.db2.gz CIVQLGMWMSDFJT-HXUWFJFHSA-N 2 0 385.508 2.558 50 0 GFAARP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012505636 570674747 /nfs/dbraw/zinc/67/47/47/570674747.db2.gz ASEHVVLKXTZFBY-NRFANRHFSA-N 2 0 376.504 2.819 50 0 GFAARP CN(C(=O)C1([NH+](C)CCc2ccccc2)Cc2ccccc2C1)[C@H]1CC[N@H+](C)C1 ZINC000072135482 570869102 /nfs/dbraw/zinc/86/91/02/570869102.db2.gz HOBXOGMQMVFUIL-QHCPKHFHSA-N 2 0 391.559 2.861 50 0 GFAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCc2cccnc2)cc1OC ZINC000015068103 210147501 /nfs/dbraw/zinc/14/75/01/210147501.db2.gz UUHTVLVZRNSING-HXUWFJFHSA-N 2 0 387.524 2.504 50 0 GFAARP COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccc(Cl)cc1 ZINC000013732782 210086110 /nfs/dbraw/zinc/08/61/10/210086110.db2.gz IPXURJFFNYMJTI-UHFFFAOYSA-N 2 0 378.900 2.989 50 0 GFAARP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)NCCCc1ccccc1 ZINC000095468469 211245992 /nfs/dbraw/zinc/24/59/92/211245992.db2.gz GCWJWNWJNGOGGQ-UHFFFAOYSA-N 2 0 387.568 2.560 50 0 GFAARP CCC[N@@H+]1CCCN(c2ccc(C(=O)NCC[C@H]3CCCC[NH+]3C)cn2)CC1 ZINC000244816803 570433919 /nfs/dbraw/zinc/43/39/19/570433919.db2.gz SOQMIBLMTFINEK-HXUWFJFHSA-N 2 0 387.572 2.608 50 0 GFAARP Cc1nn(C)cc1C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000011717367 570580992 /nfs/dbraw/zinc/58/09/92/570580992.db2.gz XALRFSKCLBLDEK-OAQYLSRUSA-N 2 0 386.540 2.586 50 0 GFAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH2+]CCn2cccn2)c1)C1CCCCC1 ZINC000011759409 570581432 /nfs/dbraw/zinc/58/14/32/570581432.db2.gz IRKOJTUCCFIYSL-OAQYLSRUSA-N 2 0 386.540 2.677 50 0 GFAARP Cc1ccccc1[C@@]1(O)CC[N@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000244742262 570696288 /nfs/dbraw/zinc/69/62/88/570696288.db2.gz OENRFSRZAOFRJV-XMMPIXPASA-N 2 0 379.548 2.706 50 0 GFAARP O[C@H](COc1ccccc1C[NH2+]CCc1ccccc1)C[NH+]1CCSCC1 ZINC000012716054 570704275 /nfs/dbraw/zinc/70/42/75/570704275.db2.gz CPKVGTVMGHZETQ-NRFANRHFSA-N 2 0 386.561 2.807 50 0 GFAARP CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420968 570988462 /nfs/dbraw/zinc/98/84/62/570988462.db2.gz OQAZZXOWHMBMHG-SFHVURJKSA-N 2 0 383.540 2.694 50 0 GFAARP O=C(NC1CC[NH+](C2CCSCC2)CC1)c1ccc(C[NH+]2CCCC2)o1 ZINC000097756393 211372068 /nfs/dbraw/zinc/37/20/68/211372068.db2.gz CEKWVRHPUVBSLD-UHFFFAOYSA-N 2 0 377.554 2.965 50 0 GFAARP O[C@H](COc1ccc(C[N@@H+]2CCCOCC2)cc1)C[NH+]1CCc2ccccc2C1 ZINC000096149999 211310176 /nfs/dbraw/zinc/31/01/76/211310176.db2.gz PVCRMHCRJZSQCY-QHCPKHFHSA-N 2 0 396.531 2.707 50 0 GFAARP [NH3+]C[C@@H]1CCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000095530425 211276057 /nfs/dbraw/zinc/27/60/57/211276057.db2.gz JIGMSOWEUSOIHF-SFHVURJKSA-N 2 0 394.519 2.546 50 0 GFAARP [NH3+]C1CCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)CC1 ZINC000095508011 211259606 /nfs/dbraw/zinc/25/96/06/211259606.db2.gz PVYDAHZMQGHDJR-UHFFFAOYSA-N 2 0 394.519 2.688 50 0 GFAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@@H+]3CCCCC34CC4)c2)CC1 ZINC000095506896 211258134 /nfs/dbraw/zinc/25/81/34/211258134.db2.gz AMQCANIKDRLHRQ-OAQYLSRUSA-N 2 0 387.568 2.582 50 0 GFAARP C[N@H+](CC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1)C1CCCC1 ZINC000095354714 211222126 /nfs/dbraw/zinc/22/21/26/211222126.db2.gz UEWGTDNRPFHCTI-MDNUFGMLSA-N 2 0 383.536 2.655 50 0 GFAARP OC[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1C[NH+]1CCC(O)CC1 ZINC000095385526 211235780 /nfs/dbraw/zinc/23/57/80/211235780.db2.gz XWDFXQAQACFBFA-DHIUTWEWSA-N 2 0 394.559 2.816 50 0 GFAARP O[C@H](COc1ccc(C[NH2+]C2CCOCC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000020207664 210321534 /nfs/dbraw/zinc/32/15/34/210321534.db2.gz BPTDFBKZWFODQP-QHCPKHFHSA-N 2 0 396.531 2.753 50 0 GFAARP Cc1nc(C)c(C[NH+]2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)nc1C ZINC000019771142 210295262 /nfs/dbraw/zinc/29/52/62/210295262.db2.gz JRWDAOQXNUXGGP-YADHBBJMSA-N 2 0 380.536 2.913 50 0 GFAARP [NH3+]CCCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072161699 136167170 /nfs/dbraw/zinc/16/71/70/136167170.db2.gz ZBXOVIBEVGOTQQ-GOSISDBHSA-N 2 0 398.473 2.557 50 0 GFAARP O=C(NC1(C[NH+]2CCCCC2)CC1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000534647209 570916717 /nfs/dbraw/zinc/91/67/17/570916717.db2.gz OSVBQWKGPBEDQJ-JOCHJYFZSA-N 2 0 396.579 2.890 50 0 GFAARP Cc1nc(N2CCC([NH+]3CCCC3)CC2)cc(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000084271845 571011631 /nfs/dbraw/zinc/01/16/31/571011631.db2.gz AKJKFBGWFFFGOH-UHFFFAOYSA-N 2 0 398.599 2.914 50 0 GFAARP C[NH+](C)CC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095530412 211275201 /nfs/dbraw/zinc/27/52/01/211275201.db2.gz OEZOCFBMROSXTG-HXUWFJFHSA-N 2 0 391.531 2.607 50 0 GFAARP COc1cc(C(=O)N[C@@H]2CC[NH2+]C2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095521053 211266302 /nfs/dbraw/zinc/26/63/02/211266302.db2.gz LBWREEQSGNUHOD-QGZVFWFLSA-N 2 0 387.524 2.573 50 0 GFAARP COc1cc(C[N@@H+]2CCCOCC2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095515156 211262648 /nfs/dbraw/zinc/26/26/48/211262648.db2.gz TVIUTONYCYTJKX-FQEVSTJZSA-N 2 0 392.540 2.533 50 0 GFAARP COc1ccc(C(=O)NCC[NH+](C)C)cc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095502713 211254929 /nfs/dbraw/zinc/25/49/29/211254929.db2.gz OYJAQNSOZZRZNH-UHFFFAOYSA-N 2 0 389.540 2.772 50 0 GFAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1scnc1C)C2 ZINC000095368873 211227382 /nfs/dbraw/zinc/22/73/82/211227382.db2.gz KYMHSUCHHKACTA-GGPKGHCWSA-N 2 0 379.570 2.791 50 0 GFAARP C[NH+](C)[C@@H]1CCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072477792 211124607 /nfs/dbraw/zinc/12/46/07/211124607.db2.gz RRFUATKFLRZBIO-MRXNPFEDSA-N 2 0 385.943 2.940 50 0 GFAARP OC[C@]1(O)CCC[N@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)CC1 ZINC000072165281 211079965 /nfs/dbraw/zinc/07/99/65/211079965.db2.gz ZWCAAVLARGUCDU-QFIPXVFZSA-N 2 0 376.541 2.651 50 0 GFAARP COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c2ccccc12 ZINC000020449536 210336354 /nfs/dbraw/zinc/33/63/54/210336354.db2.gz OSDJREWNPVEZGY-NRFANRHFSA-N 2 0 397.563 2.811 50 0 GFAARP Cc1cc(N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095499195 136179735 /nfs/dbraw/zinc/17/97/35/136179735.db2.gz YBADRDQCCANRAP-HXUWFJFHSA-N 2 0 381.524 2.677 50 0 GFAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH2+]CCn1cccn1)C1CCCCC1 ZINC000012303355 570637241 /nfs/dbraw/zinc/63/72/41/570637241.db2.gz GGJQXMUREDHOME-NRFANRHFSA-N 2 0 386.540 2.677 50 0 GFAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCCC1 ZINC000012577280 570682941 /nfs/dbraw/zinc/68/29/41/570682941.db2.gz SLIWDDHRLAWZQG-OAQYLSRUSA-N 2 0 381.564 2.953 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+](Cc2cnc(SC)nc2)C[C@H]2CCCO2)CC1 ZINC000055270885 212059740 /nfs/dbraw/zinc/05/97/40/212059740.db2.gz VNYOJZCAIRFJSV-LJQANCHMSA-N 2 0 394.585 2.538 50 0 GFAARP C[N@H+](CCCO)Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095519374 211263955 /nfs/dbraw/zinc/26/39/55/211263955.db2.gz SUXDUQWDNOAUGN-IBGZPJMESA-N 2 0 384.948 2.770 50 0 GFAARP COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)[C@@H]2C=CC[NH2+]2)CC1 ZINC000095509764 211258991 /nfs/dbraw/zinc/25/89/91/211258991.db2.gz TYBAOUYLMRPGKZ-NRFANRHFSA-N 2 0 385.552 2.920 50 0 GFAARP COCC[NH+]1CCC(C[NH+]2CCC3(CCN(C(=O)C(C)C)CC3)CC2)CC1 ZINC000072145081 211075625 /nfs/dbraw/zinc/07/56/25/211075625.db2.gz XRKJHVWKGMPJKF-UHFFFAOYSA-N 2 0 379.589 2.705 50 0 GFAARP CCOc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)C[C@H]2CCO)cc1 ZINC000104641522 570255698 /nfs/dbraw/zinc/25/56/98/570255698.db2.gz QTQJRLKUQTXECR-JOCHJYFZSA-N 2 0 389.584 2.827 50 0 GFAARP Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)C[NH2+]CCC[NH+](C)C)[C@@H]3CCC1 ZINC000231374326 570379198 /nfs/dbraw/zinc/37/91/98/570379198.db2.gz MADDWMBZCFZGJC-PGRDOPGGSA-N 2 0 384.568 2.545 50 0 GFAARP Cc1cc(N2CCCN(C(=O)C3CC[NH+](Cc4ccco4)CC3)CC2)cc[nH+]1 ZINC000220632012 570389954 /nfs/dbraw/zinc/38/99/54/570389954.db2.gz HDOONRQXOFDQJX-UHFFFAOYSA-N 2 0 382.508 2.934 50 0 GFAARP COc1cc(C[NH2+]CCC(C)C)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000011879555 570591090 /nfs/dbraw/zinc/59/10/90/570591090.db2.gz UJGFXHDMQCCYMU-GOSISDBHSA-N 2 0 382.570 2.619 50 0 GFAARP COCc1nc(NC2CC[NH+](Cc3ccccc3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244774095 570696372 /nfs/dbraw/zinc/69/63/72/570696372.db2.gz PNUKMJYIBLULQP-HDICACEKSA-N 2 0 381.524 2.904 50 0 GFAARP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000241588047 231038781 /nfs/dbraw/zinc/03/87/81/231038781.db2.gz OZERHNRGFYBTHG-UZKOGDIHSA-N 2 0 387.568 2.639 50 0 GFAARP CCc1ncc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@@H]3CO)cn1 ZINC000097527795 211367014 /nfs/dbraw/zinc/36/70/14/211367014.db2.gz CVBPYJLKCVOCQF-HXUWFJFHSA-N 2 0 384.524 2.729 50 0 GFAARP Nc1ncccc1C[NH+]1CCC2(CC1)CC[N@H+](Cc1ccccc1)C[C@@H]2CO ZINC000097179405 211363010 /nfs/dbraw/zinc/36/30/10/211363010.db2.gz NVEQHRHIDLDHGI-OAQYLSRUSA-N 2 0 380.536 2.760 50 0 GFAARP CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)[C@H]1C=CC[NH2+]1 ZINC000095513190 211262185 /nfs/dbraw/zinc/26/21/85/211262185.db2.gz RDSQBEHPQBIXQN-LJQANCHMSA-N 2 0 395.469 2.946 50 0 GFAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cnco1 ZINC000095511826 211262054 /nfs/dbraw/zinc/26/20/54/211262054.db2.gz RREJSJAIBZDJHY-QGZVFWFLSA-N 2 0 388.487 2.730 50 0 GFAARP O=C(CC[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000095505589 211257170 /nfs/dbraw/zinc/25/71/70/211257170.db2.gz YBDSJGGBWKNYNH-QFIPXVFZSA-N 2 0 398.595 2.575 50 0 GFAARP CCOC(=O)N1CCC([NH2+]Cc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)CC1 ZINC000095375996 211228807 /nfs/dbraw/zinc/22/88/07/211228807.db2.gz NVQUJGNHQZFMNY-UHFFFAOYSA-N 2 0 389.544 2.742 50 0 GFAARP Cn1c(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)cc2ccccc21 ZINC000091794564 211207421 /nfs/dbraw/zinc/20/74/21/211207421.db2.gz MCSOVYNXPHIOQY-HSZRJFAPSA-N 2 0 382.552 2.945 50 0 GFAARP CC(C)C[N@@H+]1CCCn2nc(CNC(=O)C[NH+]3CCCCCCC3)cc2C1 ZINC000082133715 211161125 /nfs/dbraw/zinc/16/11/25/211161125.db2.gz VIMNSCRPGWPHFY-UHFFFAOYSA-N 2 0 375.561 2.627 50 0 GFAARP CC[NH+](CC)Cc1cnc2c(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cnn2c1 ZINC000067726502 211019727 /nfs/dbraw/zinc/01/97/27/211019727.db2.gz MAVDHMUOJPWBND-UHFFFAOYSA-N 2 0 386.544 2.610 50 0 GFAARP C[NH+]1CCC(N2CC[N@H+](Cc3ccc(-c4ccco4)cc3)C[C@@H]2CCO)CC1 ZINC000067513593 211011556 /nfs/dbraw/zinc/01/15/56/211011556.db2.gz NXYQNOKTCVWXML-QFIPXVFZSA-N 2 0 383.536 2.909 50 0 GFAARP CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3cccc(C)c3)C[C@H]2C(=O)NCC)CC1 ZINC000023360016 210442922 /nfs/dbraw/zinc/44/29/22/210442922.db2.gz UEPKEHOEXNSEBG-IRLDBZIGSA-N 2 0 386.584 2.538 50 0 GFAARP COc1nc(C)cc(C)c1C[NH2+]C1CCN(c2cc(C)[nH+]c(N(C)C)n2)CC1 ZINC000095501827 136179965 /nfs/dbraw/zinc/17/99/65/136179965.db2.gz BVOLZWPHQKMPLU-UHFFFAOYSA-N 2 0 384.528 2.630 50 0 GFAARP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+](C)CC2CCOCC2)ccc1OC ZINC000012612266 520737903 /nfs/dbraw/zinc/73/79/03/520737903.db2.gz GCDQEXLLWHBKKJ-FQEVSTJZSA-N 2 0 394.556 2.635 50 0 GFAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccoc1 ZINC000012055874 570602619 /nfs/dbraw/zinc/60/26/19/570602619.db2.gz WOMFGZFSODPOJN-FQEVSTJZSA-N 2 0 377.529 2.565 50 0 GFAARP O=C(C1CC[NH+](C2CC[NH+](CCCC3CCCC3)CC2)CC1)N1CCOCC1 ZINC000042453691 570619920 /nfs/dbraw/zinc/61/99/20/570619920.db2.gz HNIKOLKYSRVOTR-UHFFFAOYSA-N 2 0 391.600 2.992 50 0 GFAARP COCC[N@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C1CCN(C)CC1 ZINC000015068562 210147356 /nfs/dbraw/zinc/14/73/56/210147356.db2.gz VGBNGNITYAUPKU-UHFFFAOYSA-N 2 0 389.584 2.950 50 0 GFAARP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000095519269 211263750 /nfs/dbraw/zinc/26/37/50/211263750.db2.gz STTBUBXANRTVMM-INIZCTEOSA-N 2 0 387.524 2.654 50 0 GFAARP COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000095521662 211267024 /nfs/dbraw/zinc/26/70/24/211267024.db2.gz MUMODIBIDJGFBJ-INIZCTEOSA-N 2 0 387.524 2.573 50 0 GFAARP COc1cc(C[NH+]2CCC3(CCO3)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095509647 211260142 /nfs/dbraw/zinc/26/01/42/211260142.db2.gz KMZFSWLLLFSRCJ-LJQANCHMSA-N 2 0 392.540 2.530 50 0 GFAARP COc1cc(C[N@H+](C)C2CCSCC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095504020 211256193 /nfs/dbraw/zinc/25/61/93/211256193.db2.gz BUADFYDOYUCOPI-LJQANCHMSA-N 2 0 394.581 2.858 50 0 GFAARP CCC[N@@H+]1CCCn2nc(C[NH2+]C3CCN(Cc4ccccn4)CC3)cc2C1 ZINC000082106635 211160577 /nfs/dbraw/zinc/16/05/77/211160577.db2.gz QSIMIAQHKGEWIN-UHFFFAOYSA-N 2 0 382.556 2.648 50 0 GFAARP C[N@H+](CCCN1CC2(CCN([C@@H]3CCC[NH2+]C3)CC2)OC1=O)C1CCCCC1 ZINC000072477156 211125047 /nfs/dbraw/zinc/12/50/47/211125047.db2.gz QPFFFDPGNRLFDF-HXUWFJFHSA-N 2 0 392.588 2.680 50 0 GFAARP Cc1ccccc1C[N@@H+]1CC[C@H](Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)C1 ZINC000072412274 211113531 /nfs/dbraw/zinc/11/35/31/211113531.db2.gz XBEDIHUTGBDESA-SFHVURJKSA-N 2 0 376.508 2.680 50 0 GFAARP C[C@H](C[NH+](C)C)NC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072166003 211080642 /nfs/dbraw/zinc/08/06/42/211080642.db2.gz GVHNRKZCOJDGNH-LJQANCHMSA-N 2 0 379.548 2.765 50 0 GFAARP O=C(c1ccc(C[C@H]2CCC[NH2+]C2)cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000072132099 211074206 /nfs/dbraw/zinc/07/42/06/211074206.db2.gz AWCBMUSMOBZXJJ-HXUWFJFHSA-N 2 0 378.520 2.976 50 0 GFAARP [NH3+]CCCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072161700 136167370 /nfs/dbraw/zinc/16/73/70/136167370.db2.gz ZBXOVIBEVGOTQQ-SFHVURJKSA-N 2 0 398.473 2.557 50 0 GFAARP Cc1cc(N2CCC([N@H+](C)Cc3cnccn3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000095511084 136180704 /nfs/dbraw/zinc/18/07/04/136180704.db2.gz QYEAUPOKWYRNOK-UHFFFAOYSA-N 2 0 381.528 2.666 50 0 GFAARP C[N@H+](Cc1ccccc1)C1(C(=O)NCC[NH+]2CCCC2)Cc2ccccc2C1 ZINC000039388438 570590821 /nfs/dbraw/zinc/59/08/21/570590821.db2.gz KPEWDZVNZFJVMN-UHFFFAOYSA-N 2 0 377.532 2.868 50 0 GFAARP C[C@H](O)Cc1cn(C2CC[NH+](CC(C)(C)C[NH+]3CCCCCC3)CC2)nn1 ZINC000063855627 570751650 /nfs/dbraw/zinc/75/16/50/570751650.db2.gz AOJIKDPSJISXKV-SFHVURJKSA-N 2 0 377.577 2.741 50 0 GFAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]C3CCCCCC3)c2)CC1 ZINC000019228546 210232483 /nfs/dbraw/zinc/23/24/83/210232483.db2.gz DOHDNOJEBZQTAC-QFIPXVFZSA-N 2 0 389.584 2.876 50 0 GFAARP CCN1CCC(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)([NH+](C)C)CC1 ZINC000299782467 212037038 /nfs/dbraw/zinc/03/70/38/212037038.db2.gz WZMZTKNZIQSNQJ-BDTNDASRSA-N 2 0 398.595 2.744 50 0 GFAARP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000096007914 211294923 /nfs/dbraw/zinc/29/49/23/211294923.db2.gz IBYXXRSSSYGOKM-NHCUHLMSSA-N 2 0 379.589 2.990 50 0 GFAARP O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000095506506 211257896 /nfs/dbraw/zinc/25/78/96/211257896.db2.gz GJBBHUSYYZZWLS-IBGZPJMESA-N 2 0 394.519 2.607 50 0 GFAARP Cc1ccc(-c2cccc(C[N@@H+]3C[C@H](CO)[C@H](CN4CC[NH+](C)CC4)C3)c2)o1 ZINC000095380497 211232225 /nfs/dbraw/zinc/23/22/25/211232225.db2.gz FORUNHNKGZLQFI-FGZHOGPDSA-N 2 0 383.536 2.543 50 0 GFAARP COc1ccc([C@@H]2CN(C(=O)C[NH+]3CCCCC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095375093 211229102 /nfs/dbraw/zinc/22/91/02/211229102.db2.gz NYJVDGSGMOLCEH-MDNUFGMLSA-N 2 0 383.536 2.570 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C2CCCC2)C3)CC1 ZINC000067821277 211022829 /nfs/dbraw/zinc/02/28/29/211022829.db2.gz BLBWGMUPVSWZFD-HSZRJFAPSA-N 2 0 391.600 2.850 50 0 GFAARP O=C(CC1=CSC2=NCCN12)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000102743916 570291839 /nfs/dbraw/zinc/29/18/39/570291839.db2.gz NMZLUSJIPCESIL-ZWKOTPCHSA-N 2 0 382.533 2.759 50 0 GFAARP CCn1cc(C[NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)cn1 ZINC000012072617 570958120 /nfs/dbraw/zinc/95/81/20/570958120.db2.gz IWLBQSRJHONXDW-NRFANRHFSA-N 2 0 386.540 2.809 50 0 GFAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc4ncccc4c3)C[C@@H]2CCO)CC1 ZINC000019228192 210233550 /nfs/dbraw/zinc/23/35/50/210233550.db2.gz QSMAHQZHFIPNQF-QHCPKHFHSA-N 2 0 396.579 2.976 50 0 GFAARP COc1ccc(C[N@H+](C)C2CCSCC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095525842 211272406 /nfs/dbraw/zinc/27/24/06/211272406.db2.gz NVRIWTPWTWOBOB-LJQANCHMSA-N 2 0 394.581 2.858 50 0 GFAARP C[N@H+](CCCN1CC2(CC[NH+]([C@@H]3CCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072425002 211115568 /nfs/dbraw/zinc/11/55/68/211115568.db2.gz JLTLHNWHBWCODV-LJQANCHMSA-N 2 0 379.545 2.717 50 0 GFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1cc(C(C)C)no1)CC[NH+](C)CC2 ZINC000072479890 211124790 /nfs/dbraw/zinc/12/47/90/211124790.db2.gz SLCJWCTWJOAFBV-LJQANCHMSA-N 2 0 376.545 2.953 50 0 GFAARP O[C@H]1[C@H]([NH2+]CCCn2ncc3ccccc32)c2ccccc2C12CC[NH2+]CC2 ZINC000072172552 211082439 /nfs/dbraw/zinc/08/24/39/211082439.db2.gz GVFYCKRXQZSILZ-YADHBBJMSA-N 2 0 376.504 2.753 50 0 GFAARP COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4cc(C)[nH+]c(N)n4)C3)C2)c1OC ZINC000072143126 211076994 /nfs/dbraw/zinc/07/69/94/211076994.db2.gz YQZQCLNUFALWCM-JOCHJYFZSA-N 2 0 397.523 2.877 50 0 GFAARP Cc1cc(C)nc(CC[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000011933126 221137371 /nfs/dbraw/zinc/13/73/71/221137371.db2.gz MGPISHDIVLMNNS-OAQYLSRUSA-N 2 0 398.551 2.651 50 0 GFAARP O[C@H]1[C@H]([NH+]2CCN(c3ccccc3F)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000082039391 136173303 /nfs/dbraw/zinc/17/33/03/136173303.db2.gz OCVMZWOHMLEZRH-YADHBBJMSA-N 2 0 381.495 2.685 50 0 GFAARP C[NH+](C)CCOC(=O)CC12CC3CC(C1)CC(CC(=O)OCC[NH+](C)C)(C3)C2 ZINC000004031868 570355286 /nfs/dbraw/zinc/35/52/86/570355286.db2.gz ZTJPLOSZPXAFPI-UHFFFAOYSA-N 2 0 394.556 2.563 50 0 GFAARP COc1cc(C[NH2+]CCSC)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000011842586 570438015 /nfs/dbraw/zinc/43/80/15/570438015.db2.gz HZVXPOCVBWBRDZ-SFHVURJKSA-N 2 0 382.570 2.764 50 0 GFAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000012196976 570623722 /nfs/dbraw/zinc/62/37/22/570623722.db2.gz VFJODCBPFQWQRP-IBGZPJMESA-N 2 0 399.539 2.816 50 0 GFAARP O[C@@H](COc1ccccc1C[NH2+]CCCOc1cccnc1)C[NH+]1CCCCC1 ZINC000012431981 570660183 /nfs/dbraw/zinc/66/01/83/570660183.db2.gz MKQCESACJKCKPN-OAQYLSRUSA-N 2 0 399.535 2.866 50 0 GFAARP O=C(C[NH+]1CCCCCC1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055060646 570680870 /nfs/dbraw/zinc/68/08/70/570680870.db2.gz WEGJEFVOMZCWRZ-JOCHJYFZSA-N 2 0 384.568 2.676 50 0 GFAARP O=C([C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCCC1 ZINC000012577287 570682922 /nfs/dbraw/zinc/68/29/22/570682922.db2.gz SLIWDDHRLAWZQG-NRFANRHFSA-N 2 0 381.564 2.953 50 0 GFAARP CC(C)n1c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+][C@H](C)C3)C2)nc2ccccc21 ZINC000248167243 570721654 /nfs/dbraw/zinc/72/16/54/570721654.db2.gz PCYACDGZIRXIJM-MSOLQXFVSA-N 2 0 383.540 2.650 50 0 GFAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@H+](C)Cc2cccnc2)cc1OC ZINC000012319401 221181669 /nfs/dbraw/zinc/18/16/69/221181669.db2.gz OQQOVOWCAUMEFU-FQEVSTJZSA-N 2 0 387.524 2.804 50 0 GFAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cn4ccsc4n3)C2)CC1 ZINC000015066935 221330241 /nfs/dbraw/zinc/33/02/41/221330241.db2.gz IHXQJMOEUVHKKQ-INIZCTEOSA-N 2 0 389.569 2.597 50 0 GFAARP Cc1cc(N2CCC([N@H+](C)Cc3cc(-c4ccccc4)n[nH]3)CC2)nc(N)[nH+]1 ZINC000095363733 136178036 /nfs/dbraw/zinc/17/80/36/136178036.db2.gz PZVZMYYZANYINB-UHFFFAOYSA-N 2 0 377.496 2.858 50 0 GFAARP COc1cc(C[N@H+](C)C2CCSCC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095504021 222336158 /nfs/dbraw/zinc/33/61/58/222336158.db2.gz BUADFYDOYUCOPI-IBGZPJMESA-N 2 0 394.581 2.858 50 0 GFAARP O=C(c1cccc(OC2CC[NH+](Cc3ccncc3)CC2)c1)N1CCC[NH2+]CC1 ZINC000095505376 222338839 /nfs/dbraw/zinc/33/88/39/222338839.db2.gz KGXDAPGFTGYFBM-UHFFFAOYSA-N 2 0 394.519 2.561 50 0 GFAARP O[C@H](COc1cccc(C[N@@H+]2CCCOCC2)c1)C[NH+]1CCc2ccccc2C1 ZINC000095516974 222343527 /nfs/dbraw/zinc/34/35/27/222343527.db2.gz PXWDRRXCNDSTBI-QHCPKHFHSA-N 2 0 396.531 2.707 50 0 GFAARP CC1(C)CC(CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)CC(C)(C)[NH2+]1 ZINC000095517730 222344006 /nfs/dbraw/zinc/34/40/06/222344006.db2.gz PSTLMFPFYDLVHN-HXUWFJFHSA-N 2 0 387.568 2.639 50 0 GFAARP OCc1cc(N2CCC3(CC2)c2ccccc2[C@@H]([NH+]2CCCC2)[C@@H]3O)cc[nH+]1 ZINC000019800230 570220276 /nfs/dbraw/zinc/22/02/76/570220276.db2.gz MYLIAAJETWPJRI-YADHBBJMSA-N 2 0 379.504 2.624 50 0 GFAARP COc1ccccc1C[NH+]1CCC2(CC1)CC[N@H+](Cc1cnc[nH]1)C[C@@H]2CO ZINC000097076555 570235791 /nfs/dbraw/zinc/23/57/91/570235791.db2.gz VHBIXRPFXPYENL-LJQANCHMSA-N 2 0 384.524 2.515 50 0 GFAARP CC(C)[NH+]1CCC(N2CCN(Cc3c(F)ccc(F)c3F)C[C@H]2CCO)CC1 ZINC000104430836 570258655 /nfs/dbraw/zinc/25/86/55/570258655.db2.gz CBVHPVIBZVPSHG-QGZVFWFLSA-N 2 0 399.501 2.845 50 0 GFAARP CNC(=O)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000123447768 529938918 /nfs/dbraw/zinc/93/89/18/529938918.db2.gz LATVDZLPNPHCRD-QZTJIDSGSA-N 2 0 381.520 2.945 50 0 GFAARP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+](C)Cc2cccnc2)ccc1OC ZINC000012307632 221180010 /nfs/dbraw/zinc/18/00/10/221180010.db2.gz IEYHGOOZOVBFHN-FQEVSTJZSA-N 2 0 387.524 2.804 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc3c2OCO3)C[C@@H]2CCCO2)CC1 ZINC000014954513 221320819 /nfs/dbraw/zinc/32/08/19/221320819.db2.gz IOWUBNBXBCDSBP-FQEVSTJZSA-N 2 0 390.524 2.755 50 0 GFAARP CC[N@H+](CCn1cccn1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000015064984 221327784 /nfs/dbraw/zinc/32/77/84/221327784.db2.gz OAQNLIFMCUOIIF-NRFANRHFSA-N 2 0 386.540 2.631 50 0 GFAARP CSc1ccc(CN2CCC[N@H+](C)CCN(C)CCC[NH+](C)CC2)cc1 ZINC000068604334 222170446 /nfs/dbraw/zinc/17/04/46/222170446.db2.gz BGFMBTLFIVBEIK-UHFFFAOYSA-N 2 0 378.630 2.800 50 0 GFAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000095503107 222337050 /nfs/dbraw/zinc/33/70/50/222337050.db2.gz PTUSJGBWUORZDP-QFIPXVFZSA-N 2 0 384.520 2.515 50 0 GFAARP CC[N@H+](CCO)Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095504991 222338395 /nfs/dbraw/zinc/33/83/95/222338395.db2.gz MAXXHYQLGWVKAF-IBGZPJMESA-N 2 0 384.948 2.770 50 0 GFAARP C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000095505068 222339619 /nfs/dbraw/zinc/33/96/19/222339619.db2.gz XBRXZLSLHHIQGX-GOSISDBHSA-N 2 0 394.519 2.559 50 0 GFAARP CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000077426096 222281294 /nfs/dbraw/zinc/28/12/94/222281294.db2.gz AFYMSMPIUOWYJF-QFIPXVFZSA-N 2 0 381.520 2.633 50 0 GFAARP CC(C)[NH+]1CCN(Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000095520564 222346528 /nfs/dbraw/zinc/34/65/28/222346528.db2.gz FZGRMCXUOJLEAI-QFIPXVFZSA-N 2 0 389.584 2.828 50 0 GFAARP CCc1ccc(C[NH+]2CCC3(CC2)CC[N@@H+](C2CCOCC2)C[C@@H]3CO)nc1 ZINC000097578989 570247135 /nfs/dbraw/zinc/24/71/35/570247135.db2.gz SGFBFFAIPHUYJZ-HXUWFJFHSA-N 2 0 387.568 2.719 50 0 GFAARP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000025045370 570403793 /nfs/dbraw/zinc/40/37/93/570403793.db2.gz DHRRYBGWEXUNCC-SZPZYZBQSA-N 2 0 378.520 2.835 50 0 GFAARP O=C(N[C@H]1CCOC1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000019300433 570974136 /nfs/dbraw/zinc/97/41/36/570974136.db2.gz GKHWEMZSDQYBJR-QFIPXVFZSA-N 2 0 399.579 2.701 50 0 GFAARP CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000107509017 570974203 /nfs/dbraw/zinc/97/42/03/570974203.db2.gz CAZRVGSBVPONLY-DENIHFKCSA-N 2 0 386.584 2.572 50 0 GFAARP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC4CC[NH+](C[C@H]5CCOC5)CC4)[C@@H]3C2)cc1 ZINC000252512397 570982323 /nfs/dbraw/zinc/98/23/23/570982323.db2.gz QDUABLWEOHMWCC-JSRBNTPPSA-N 2 0 383.580 2.988 50 0 GFAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3-c3ccccc3)C[C@@H]2CO)CC1 ZINC000095366732 571059019 /nfs/dbraw/zinc/05/90/19/571059019.db2.gz AZXDSAWVGJSAEM-DHIUTWEWSA-N 2 0 379.548 2.641 50 0 GFAARP Nc1cc[nH+]cc1-c1cccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000426581359 231243596 /nfs/dbraw/zinc/24/35/96/231243596.db2.gz XKOBSPGKKZPWPC-LJQANCHMSA-N 2 0 380.492 2.534 50 0 GFAARP Nc1cc[nH+]cc1-c1ccc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cc1 ZINC000426589907 231244260 /nfs/dbraw/zinc/24/42/60/231244260.db2.gz CRFOSAFJEHLSSD-UHFFFAOYSA-N 2 0 382.533 2.815 50 0 GFAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]C1CCOCC1)C1CCCCC1 ZINC000012301242 221178141 /nfs/dbraw/zinc/17/81/41/221178141.db2.gz FQKBDVIBYLFVPS-OAQYLSRUSA-N 2 0 376.541 2.959 50 0 GFAARP COCC[N@H+](C[C@@H]1CCOC1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012587638 221210967 /nfs/dbraw/zinc/21/09/67/221210967.db2.gz QUOKPLROVKLTEB-FQEVSTJZSA-N 2 0 376.541 2.892 50 0 GFAARP CCCC[NH+](CCCC)CCNC(=O)C1=C(C)C(=O)OC12CC[NH+](CC)CC2 ZINC000015679431 221339667 /nfs/dbraw/zinc/33/96/67/221339667.db2.gz PAYCPEWBBKDKJO-UHFFFAOYSA-N 2 0 393.572 2.733 50 0 GFAARP Cc1cc(C)nc(C[NH2+]C2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)n1 ZINC000095365588 136178372 /nfs/dbraw/zinc/17/83/72/136178372.db2.gz XIGJKGKJFLOSHS-UHFFFAOYSA-N 2 0 381.528 2.551 50 0 GFAARP COc1ccnc(C[NH2+]C2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c1 ZINC000095497876 136179619 /nfs/dbraw/zinc/17/96/19/136179619.db2.gz PYSFQGOOEDHFDX-UHFFFAOYSA-N 2 0 382.512 2.547 50 0 GFAARP C[C@@H](O)Cc1cn(C2CC[NH+](CC(C)(C)C[NH+]3CCCCCC3)CC2)nn1 ZINC000063855628 222068916 /nfs/dbraw/zinc/06/89/16/222068916.db2.gz AOJIKDPSJISXKV-GOSISDBHSA-N 2 0 377.577 2.741 50 0 GFAARP C[C@H](C[N@@H+]1CCc2ccccc2C1)n1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065451663 222129998 /nfs/dbraw/zinc/12/99/98/222129998.db2.gz YIXSSVVSYPCDED-CQSZACIVSA-N 2 0 380.517 2.723 50 0 GFAARP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCn3c4ccccc4oc3=O)CC2)C[C@H](C)O1 ZINC000069016715 222172653 /nfs/dbraw/zinc/17/26/53/222172653.db2.gz YXOHWNVJKLOVPI-HDICACEKSA-N 2 0 387.524 2.806 50 0 GFAARP CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3CC)C2)CC1 ZINC000249688157 570722840 /nfs/dbraw/zinc/72/28/40/570722840.db2.gz HYZZJQPVLJTLTP-IBGZPJMESA-N 2 0 397.567 2.822 50 0 GFAARP Cc1cccc(C)c1-n1ncc(C(=O)NCC[NH+]2CCCC2)c1C1CC[NH2+]CC1 ZINC000007000489 570732973 /nfs/dbraw/zinc/73/29/73/570732973.db2.gz KHPRDIZFVUFXQG-UHFFFAOYSA-N 2 0 395.551 2.782 50 0 GFAARP O=C(NC1(C[NH+]2CCCCC2)CC1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000534647210 570916826 /nfs/dbraw/zinc/91/68/26/570916826.db2.gz OSVBQWKGPBEDQJ-QFIPXVFZSA-N 2 0 396.579 2.890 50 0 GFAARP Cc1nccn1CCC[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000019222853 570963183 /nfs/dbraw/zinc/96/31/83/570963183.db2.gz QAADKHMLXWUBDT-OAQYLSRUSA-N 2 0 386.540 2.597 50 0 GFAARP COc1cc(C[NH+]2CCC3(CCO3)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095509646 571081098 /nfs/dbraw/zinc/08/10/98/571081098.db2.gz KMZFSWLLLFSRCJ-IBGZPJMESA-N 2 0 392.540 2.530 50 0 GFAARP COC[C@@H]1C[N@H+](Cc2cc(Br)ccc2OC)CC12CC[NH2+]CC2 ZINC000169789799 655143888 /nfs/dbraw/zinc/14/38/88/655143888.db2.gz XXRXOBKNVIMLLH-HNNXBMFYSA-N 2 0 383.330 2.906 50 0 GFAARP CNC(=O)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000123447500 529938883 /nfs/dbraw/zinc/93/88/83/529938883.db2.gz LATVDZLPNPHCRD-ROUUACIJSA-N 2 0 381.520 2.945 50 0 GFAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc3nonc3c2)C[C@H]2CCCO2)CC1 ZINC000011816314 221127552 /nfs/dbraw/zinc/12/75/52/221127552.db2.gz XYTXZRWWPRZOCC-LJQANCHMSA-N 2 0 388.512 2.562 50 0 GFAARP COc1cc(C[NH2+]CCC(C)C)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000011879554 221134686 /nfs/dbraw/zinc/13/46/86/221134686.db2.gz UJGFXHDMQCCYMU-SFHVURJKSA-N 2 0 382.570 2.619 50 0 GFAARP COCC[N@H+](C)Cc1ccc(OC)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000014959638 221321063 /nfs/dbraw/zinc/32/10/63/221321063.db2.gz KFVKCLCMPDLPGH-HXUWFJFHSA-N 2 0 394.556 2.779 50 0 GFAARP Cn1cc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H]([NH+]2CCCCC2)[C@@H]3O)cn1 ZINC000019851367 221459075 /nfs/dbraw/zinc/45/90/75/221459075.db2.gz ZTOOFSXDINUJQC-YADHBBJMSA-N 2 0 380.536 2.855 50 0 GFAARP C[N@H+](CCc1ccccc1)C1(C(=O)N[C@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000072142202 222211254 /nfs/dbraw/zinc/21/12/54/222211254.db2.gz VJIMRJMOCTVSKW-QFIPXVFZSA-N 2 0 377.532 2.567 50 0 GFAARP C[NH2+]CC(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000095508819 222340428 /nfs/dbraw/zinc/34/04/28/222340428.db2.gz DZNOVZPKQKSMKE-UHFFFAOYSA-N 2 0 380.536 2.850 50 0 GFAARP COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)c(OC)c1 ZINC000095523824 222348912 /nfs/dbraw/zinc/34/89/12/222348912.db2.gz NMRBFLBZPCFFNA-QGZVFWFLSA-N 2 0 389.540 2.564 50 0 GFAARP COc1cc(C[NH+]2CCC(C)CC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095523642 222349464 /nfs/dbraw/zinc/34/94/64/222349464.db2.gz FGJMUSRWRWGSDF-LJQANCHMSA-N 2 0 394.581 2.716 50 0 GFAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCN1CCCC1)C1CCCCC1 ZINC000020254808 570250273 /nfs/dbraw/zinc/25/02/73/570250273.db2.gz FRZNUSWEXBFJBU-JOCHJYFZSA-N 2 0 389.584 2.876 50 0 GFAARP CCOc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)C[C@@H]2CCO)cc1 ZINC000020351095 570252696 /nfs/dbraw/zinc/25/26/96/570252696.db2.gz QTQJRLKUQTXECR-QFIPXVFZSA-N 2 0 389.584 2.827 50 0 GFAARP COc1ccc(C[NH2+]CCCOC(C)C)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000015074127 221330652 /nfs/dbraw/zinc/33/06/52/221330652.db2.gz SHZVYJLUCJZHIV-LJQANCHMSA-N 2 0 382.545 2.680 50 0 GFAARP C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2cc(N3CCCC3)cn[nH+]2)C1 ZINC000095496966 136179642 /nfs/dbraw/zinc/17/96/42/136179642.db2.gz ZZHUPXLDFDYBEK-SFHVURJKSA-N 2 0 383.544 2.609 50 0 GFAARP COCC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccc(-c3cc(N)cc[nH+]3)cc2)C1 ZINC000426398027 231213528 /nfs/dbraw/zinc/21/35/28/231213528.db2.gz IKQRHYXZBPAPES-QGZVFWFLSA-N 2 0 382.508 2.761 50 0 GFAARP COCC[N@H+](C)Cc1ccccc1OC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000011873847 221133767 /nfs/dbraw/zinc/13/37/67/221133767.db2.gz UGSKWQOBPYFTKQ-JOCHJYFZSA-N 2 0 384.520 2.563 50 0 GFAARP O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000012074627 221147040 /nfs/dbraw/zinc/14/70/40/221147040.db2.gz QBAOFJWMNSSMJS-OAQYLSRUSA-N 2 0 381.564 2.856 50 0 GFAARP O[C@H](COc1ccccc1C[NH2+]CCCOc1cccnc1)C[NH+]1CCCCC1 ZINC000012431982 221193700 /nfs/dbraw/zinc/19/37/00/221193700.db2.gz MKQCESACJKCKPN-NRFANRHFSA-N 2 0 399.535 2.866 50 0 GFAARP CN1CCC([N@@H+]2CCC[C@@H](NC(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000012432377 221193839 /nfs/dbraw/zinc/19/38/39/221193839.db2.gz WYFWVDHCNSSSHE-GOSISDBHSA-N 2 0 378.605 2.608 50 0 GFAARP CN(CC[NH+](C)C)C(=O)c1cccc(OC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000012448762 221196881 /nfs/dbraw/zinc/19/68/81/221196881.db2.gz HEQJYALVHBJGSP-UHFFFAOYSA-N 2 0 396.535 2.759 50 0 GFAARP CN(CC[NH+](C)C)C(=O)c1cccc(OC2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000014979268 221323044 /nfs/dbraw/zinc/32/30/44/221323044.db2.gz XQPDMEBWCYCNIT-SFHVURJKSA-N 2 0 391.581 2.669 50 0 GFAARP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC1CCCCC1)C2 ZINC000072122305 222209310 /nfs/dbraw/zinc/20/93/10/222209310.db2.gz IKIRKCWDWGBZLF-QFIPXVFZSA-N 2 0 388.556 2.630 50 0 GFAARP O=C(c1ccc(C[C@@H]2CCC[NH2+]C2)cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000072132098 222210675 /nfs/dbraw/zinc/21/06/75/222210675.db2.gz AWCBMUSMOBZXJJ-FQEVSTJZSA-N 2 0 378.520 2.976 50 0 GFAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cnco1 ZINC000095511827 222343102 /nfs/dbraw/zinc/34/31/02/222343102.db2.gz RREJSJAIBZDJHY-KRWDZBQOSA-N 2 0 388.487 2.730 50 0 GFAARP COc1cc(C[N@H+](C)CC2CCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095524005 222347962 /nfs/dbraw/zinc/34/79/62/222347962.db2.gz QAGSANRXWFWTIF-IBGZPJMESA-N 2 0 394.581 2.716 50 0 GFAARP C[N@H+](Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1)C1CCOCC1 ZINC000095527414 222350611 /nfs/dbraw/zinc/35/06/11/222350611.db2.gz FJASVSISASXVDS-OAQYLSRUSA-N 2 0 376.541 2.913 50 0 GFAARP COc1cc(C[N@H+](C)CC(C)C)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095529583 222353193 /nfs/dbraw/zinc/35/31/93/222353193.db2.gz TVXLLPZKSCWDAK-GOSISDBHSA-N 2 0 382.570 2.572 50 0 GFAARP [NH3+]CCc1cccc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)c1 ZINC000091427077 534654694 /nfs/dbraw/zinc/65/46/94/534654694.db2.gz JJGUHVUPRSOHHO-UHFFFAOYSA-N 2 0 392.547 2.988 50 0 GFAARP C[NH+](C)CCOc1cccc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c1 ZINC000019838907 570224299 /nfs/dbraw/zinc/22/42/99/570224299.db2.gz DVRMFYKLSVJFKY-FQEVSTJZSA-N 2 0 377.573 2.542 50 0 GFAARP CC[NH+]1CCC(N2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)CC1 ZINC000022913164 570334344 /nfs/dbraw/zinc/33/43/44/570334344.db2.gz ZNMJCYUGJJLKHP-OAQYLSRUSA-N 2 0 386.584 2.766 50 0 GFAARP CCC[NH+]1CCC(N2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)CC1 ZINC000039537361 570593359 /nfs/dbraw/zinc/59/33/59/570593359.db2.gz IPFMAMAKPUOSHG-JOCHJYFZSA-N 2 0 389.584 2.747 50 0 GFAARP O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426530378 231235145 /nfs/dbraw/zinc/23/51/45/231235145.db2.gz GEURJJPLQHNEHY-OAQYLSRUSA-N 2 0 393.535 2.793 50 0 GFAARP CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000011944569 221140492 /nfs/dbraw/zinc/14/04/92/221140492.db2.gz IARSYPJIOGVURM-NRFANRHFSA-N 2 0 378.605 2.516 50 0 GFAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C2CSCCSC2)CC1 ZINC000012372826 221186202 /nfs/dbraw/zinc/18/62/02/221186202.db2.gz CMLVPYQADPGLOC-SFHVURJKSA-N 2 0 399.670 2.928 50 0 GFAARP O=C(NC1CCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000014980879 221323453 /nfs/dbraw/zinc/32/34/53/221323453.db2.gz RTECLDABVRXVKC-HXUWFJFHSA-N 2 0 381.564 2.999 50 0 GFAARP CC[NH+]1CCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)CC1 ZINC000072479824 136171338 /nfs/dbraw/zinc/17/13/38/136171338.db2.gz LRIZELVZCWOHHA-UHFFFAOYSA-N 2 0 385.943 2.941 50 0 GFAARP O[C@@H]1C[N@H+](Cc2cccn2-c2cc[nH+]cc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067713456 222155538 /nfs/dbraw/zinc/15/55/38/222155538.db2.gz XDKACTQDJODXRY-VQTJNVASSA-N 2 0 377.444 2.951 50 0 GFAARP c1c(CN2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)nn2c1C[NH2+]CC2 ZINC000072162710 222213882 /nfs/dbraw/zinc/21/38/82/222213882.db2.gz KEBGPFUBILNBDR-QHCPKHFHSA-N 2 0 379.552 2.865 50 0 GFAARP C[N@H+](CCc1ccccc1)C1(C(=O)NCC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000072162860 222215714 /nfs/dbraw/zinc/21/57/14/222215714.db2.gz AGCRFJALXVFVRQ-UHFFFAOYSA-N 2 0 391.559 2.814 50 0 GFAARP C[N@H+](CCCN1CC2(CC[NH+]([C@H]3CCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072425003 222259091 /nfs/dbraw/zinc/25/90/91/222259091.db2.gz JLTLHNWHBWCODV-IBGZPJMESA-N 2 0 379.545 2.717 50 0 GFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1nc(C)c(C)s1)CC[NH+](C)CC2 ZINC000072432363 222260664 /nfs/dbraw/zinc/26/06/64/222260664.db2.gz YUXRIGRRKYZZDO-KRWDZBQOSA-N 2 0 378.586 2.615 50 0 GFAARP O=C(CC[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000095505590 222339085 /nfs/dbraw/zinc/33/90/85/222339085.db2.gz YBDSJGGBWKNYNH-JOCHJYFZSA-N 2 0 398.595 2.575 50 0 GFAARP COc1cc2c(cc1C[NH+]1CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC1)CCC2 ZINC000095527005 222350392 /nfs/dbraw/zinc/35/03/92/222350392.db2.gz AWTFKHGKLFHVPQ-UHFFFAOYSA-N 2 0 399.579 2.950 50 0 GFAARP CC(C)[NH+]1CCC(N2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)CC1 ZINC000104433401 570258322 /nfs/dbraw/zinc/25/83/22/570258322.db2.gz NEJYZWOJSPXBTE-OAQYLSRUSA-N 2 0 381.511 2.706 50 0 GFAARP COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)C[C@@H]2CCO)cc1C ZINC000023375203 570358710 /nfs/dbraw/zinc/35/87/10/570358710.db2.gz CHMMNXLHWLVRNA-QFIPXVFZSA-N 2 0 389.584 2.745 50 0 GFAARP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036403726 570689535 /nfs/dbraw/zinc/68/95/35/570689535.db2.gz DHRRYBGWEXUNCC-VXKWHMMOSA-N 2 0 378.520 2.835 50 0 GFAARP Nc1nc(NCC2CC[NH+](CCc3ccccc3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252536138 570729689 /nfs/dbraw/zinc/72/96/89/570729689.db2.gz HQNQBBLHBYCYIR-KDURUIRLSA-N 2 0 381.524 2.664 50 0 GFAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCc2cscn2)cc1OC ZINC000012468025 221198032 /nfs/dbraw/zinc/19/80/32/221198032.db2.gz UCGXTRUZRRJRFG-SFHVURJKSA-N 2 0 393.553 2.566 50 0 GFAARP Cc1[nH+]c(N(C)C)nc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c1C ZINC000095500649 136179886 /nfs/dbraw/zinc/17/98/86/136179886.db2.gz FFNYCUBDGZJXRC-GOSISDBHSA-N 2 0 385.560 2.692 50 0 GFAARP C[N@H+](CCN1CC2(CC[NH+](C[C@@H]3CCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072421260 222256526 /nfs/dbraw/zinc/25/65/26/222256526.db2.gz FCWLQCNGCIPQEU-SFHVURJKSA-N 2 0 379.545 2.574 50 0 GFAARP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(n3ccnc3)CC2)CC1 ZINC000095955978 222363992 /nfs/dbraw/zinc/36/39/92/222363992.db2.gz YKFVXKOCCXQHPG-UHFFFAOYSA-N 2 0 395.551 2.563 50 0 GFAARP CC(C)CC[N@@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1CCO ZINC000104642755 570255781 /nfs/dbraw/zinc/25/57/81/570255781.db2.gz PLSRKBGRMUBIBU-OAQYLSRUSA-N 2 0 377.573 2.542 50 0 GFAARP CC(C)n1c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+][C@@H](C)C3)C2)nc2ccccc21 ZINC000248167248 570721589 /nfs/dbraw/zinc/72/15/89/570721589.db2.gz PCYACDGZIRXIJM-ROUUACIJSA-N 2 0 383.540 2.650 50 0 GFAARP O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 ZINC000092065050 571043403 /nfs/dbraw/zinc/04/34/03/571043403.db2.gz FJZADPZBSHZESQ-NQIIRXRSSA-N 2 0 399.583 2.912 50 0 GFAARP