smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)NC1=NN2C(=[NH+]C(c3ccccc3)=C[C@H]2c2ccc(F)cc2)N1 ZINC000002257614 204030412 /nfs/dbraw/zinc/03/04/12/204030412.db2.gz QGQLJVJCWYLQET-KRWDZBQOSA-N 1 2 363.396 3.820 50 30 FHEALO CC1CC[NH+](CN2c3ccccc3/C(=N/c3ccc(F)cc3)C2=O)CC1 ZINC000022022808 206365853 /nfs/dbraw/zinc/36/58/53/206365853.db2.gz BPILFSKGZLGKSU-ATJXCDBQSA-N 1 2 351.425 3.983 50 30 FHEALO C=CC[N@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cccs1 ZINC000009156278 263359816 /nfs/dbraw/zinc/35/98/16/263359816.db2.gz QPZPWERXKWQFCL-UHFFFAOYSA-N 1 2 369.490 3.502 50 30 FHEALO C=CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cccs1 ZINC000009156278 263359819 /nfs/dbraw/zinc/35/98/19/263359819.db2.gz QPZPWERXKWQFCL-UHFFFAOYSA-N 1 2 369.490 3.502 50 30 FHEALO C=CCOc1ccc(C[N@H+](C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000023243059 263386737 /nfs/dbraw/zinc/38/67/37/263386737.db2.gz PXTOVUZPNBDJIZ-UHFFFAOYSA-N 1 2 369.852 3.773 50 30 FHEALO C=CCOc1ccc(C[N@@H+](C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000023243059 263386741 /nfs/dbraw/zinc/38/67/41/263386741.db2.gz PXTOVUZPNBDJIZ-UHFFFAOYSA-N 1 2 369.852 3.773 50 30 FHEALO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)N1c2ccccc2C[C@@H]1C ZINC000078696005 525883000 /nfs/dbraw/zinc/88/30/00/525883000.db2.gz ZHXCHAWYIKNMKX-UONOGXRCSA-N 1 2 371.868 3.538 50 30 FHEALO Cc1nnc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)s1 ZINC000024335418 570974320 /nfs/dbraw/zinc/97/43/20/570974320.db2.gz GLWPOFDIXQCKCQ-UHFFFAOYSA-N 1 2 355.467 3.795 50 30 FHEALO CCOC(=O)c1c(/N=C/c2ccc(C)cc2O)sc2c1CC[N@H+](C)C2 ZINC000001300927 571048247 /nfs/dbraw/zinc/04/82/47/571048247.db2.gz PONQXJAJTRDYCU-KEBDBYFISA-N 1 2 358.463 3.677 50 30 FHEALO CCOC(=O)c1c(/N=C/c2ccc(C)cc2O)sc2c1CC[N@@H+](C)C2 ZINC000001300927 571048248 /nfs/dbraw/zinc/04/82/48/571048248.db2.gz PONQXJAJTRDYCU-KEBDBYFISA-N 1 2 358.463 3.677 50 30 FHEALO Cc1cc(-c2cccnc2)cc(N2CCN(c3cccc[nH+]3)CC2)c1C#N ZINC000585145642 571124715 /nfs/dbraw/zinc/12/47/15/571124715.db2.gz LQULVDCYBADZQT-UHFFFAOYSA-N 1 2 355.445 3.650 50 30 FHEALO COc1ccc(F)cc1CN1CCc2[nH+]c[nH]c2[C@H]1c1cccc(C#N)c1 ZINC000072429318 571319136 /nfs/dbraw/zinc/31/91/36/571319136.db2.gz UOQGHBAWHMZWTM-OAQYLSRUSA-N 1 2 362.408 3.577 50 30 FHEALO C=CCn1c2ccccc2n(CCOc2ccc(Br)cc2)c1=[NH2+] ZINC000020807457 571331689 /nfs/dbraw/zinc/33/16/89/571331689.db2.gz WSSFJQFIORSKFJ-UHFFFAOYSA-N 1 2 372.266 3.950 50 30 FHEALO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3C)c2C1 ZINC000095960940 571333065 /nfs/dbraw/zinc/33/30/65/571333065.db2.gz UUUVVPKZCXHLIL-UHFFFAOYSA-N 1 2 369.490 3.783 50 30 FHEALO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3C)c2C1 ZINC000095960940 571333066 /nfs/dbraw/zinc/33/30/66/571333066.db2.gz UUUVVPKZCXHLIL-UHFFFAOYSA-N 1 2 369.490 3.783 50 30 FHEALO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000022432122 571336762 /nfs/dbraw/zinc/33/67/62/571336762.db2.gz FNPGWPWHZRSXGU-QFIPXVFZSA-N 1 2 374.488 3.537 50 30 FHEALO C=CCNc1nc(C[NH+]2CCCCC2)nc2sc(C(=O)OCC)c(C)c21 ZINC000007978875 571357963 /nfs/dbraw/zinc/35/79/63/571357963.db2.gz UINASRDAJXQHHP-UHFFFAOYSA-N 1 2 374.510 3.760 50 30 FHEALO C[NH+]1CCN(c2oc(COc3ccc(-c4ccccc4)cc3)nc2C#N)CC1 ZINC000002440620 204040278 /nfs/dbraw/zinc/04/02/78/204040278.db2.gz RBXUGGQLYATKSV-UHFFFAOYSA-N 1 2 374.444 3.544 50 30 FHEALO CCOC(=O)c1c(/N=C/c2cccc(C)c2O)sc2c1CC[N@H+](C)C2 ZINC000002268418 204030881 /nfs/dbraw/zinc/03/08/81/204030881.db2.gz JBWOKXKILRGHHC-KEBDBYFISA-N 1 2 358.463 3.677 50 30 FHEALO CCOC(=O)c1c(/N=C/c2cccc(C)c2O)sc2c1CC[N@@H+](C)C2 ZINC000002268418 204030885 /nfs/dbraw/zinc/03/08/85/204030885.db2.gz JBWOKXKILRGHHC-KEBDBYFISA-N 1 2 358.463 3.677 50 30 FHEALO C=CCOc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(OC)cc3)o2)cc1 ZINC000009114625 263359415 /nfs/dbraw/zinc/35/94/15/263359415.db2.gz BJLRRVSWDHHILP-UHFFFAOYSA-N 1 2 365.433 3.942 50 30 FHEALO C=CCOc1ccc(C[N@H+](C)Cc2nnc(-c3ccc(OC)cc3)o2)cc1 ZINC000009114625 263359417 /nfs/dbraw/zinc/35/94/17/263359417.db2.gz BJLRRVSWDHHILP-UHFFFAOYSA-N 1 2 365.433 3.942 50 30 FHEALO C=C(C[C@H](C[NH+]1CCOCC1)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000020791612 518648484 /nfs/dbraw/zinc/64/84/84/518648484.db2.gz RDQKZBUUAHHHIL-OAQYLSRUSA-N 1 2 363.457 3.647 50 30 FHEALO C=CCN(Cc1cccc(OC)c1)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000055310725 518783593 /nfs/dbraw/zinc/78/35/93/518783593.db2.gz ZTXOACWLMABOPZ-UHFFFAOYSA-N 1 2 363.461 3.958 50 30 FHEALO CCOc1ccccc1/C=N/N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020191326 521447581 /nfs/dbraw/zinc/44/75/81/521447581.db2.gz YXGSQLPCNRQGEV-PXLXIMEGSA-N 1 2 357.885 3.890 50 30 FHEALO CCOc1ccccc1C=NN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000243885558 521465651 /nfs/dbraw/zinc/46/56/51/521465651.db2.gz AAECBESBZOPERM-UHFFFAOYSA-N 1 2 357.885 3.890 50 30 FHEALO CCc1ccc(C(=O)/C=C/c2ccc(OCC[NH+]3CCOCC3)cc2)s1 ZINC000036611174 523877363 /nfs/dbraw/zinc/87/73/63/523877363.db2.gz XFEZKXOGCFRSQB-WEVVVXLNSA-N 1 2 371.502 3.918 50 30 FHEALO COc1ccccc1NC(=[NH2+])SCc1cc2c(c(Cl)c1)OCO2 ZINC000029491132 524328448 /nfs/dbraw/zinc/32/84/48/524328448.db2.gz ZKQKTPOWNMPLLW-UHFFFAOYSA-N 1 2 350.827 3.957 50 30 FHEALO C[C@H]1CCc2ccccc2N1C(=O)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000058497870 524439842 /nfs/dbraw/zinc/43/98/42/524439842.db2.gz VIRWPFIQWZZAHF-AWEZNQCLSA-N 1 2 371.868 3.539 50 30 FHEALO C[C@@]12CC[C@H]3[C@@H](C[C@@H](C[NH+]4CC4)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(C)O ZINC000261491961 525914589 /nfs/dbraw/zinc/91/45/89/525914589.db2.gz MUIGAJJYQBDLDV-NGQOLSHVSA-N 1 2 357.538 3.811 50 30 FHEALO S=C(NCCc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000082124368 526383214 /nfs/dbraw/zinc/38/32/14/526383214.db2.gz MQHZEXQCGDCGES-KPKJPENVSA-N 1 2 365.546 3.846 50 30 FHEALO OCC#Cc1csc(C[N@H+](Cc2nccs2)Cc2ccccc2)c1 ZINC000063882822 527521488 /nfs/dbraw/zinc/52/14/88/527521488.db2.gz ATCMFHZRPBTSCR-UHFFFAOYSA-N 1 2 354.500 3.751 50 30 FHEALO OCC#Cc1csc(C[N@@H+](Cc2nccs2)Cc2ccccc2)c1 ZINC000063882822 527521494 /nfs/dbraw/zinc/52/14/94/527521494.db2.gz ATCMFHZRPBTSCR-UHFFFAOYSA-N 1 2 354.500 3.751 50 30 FHEALO C#CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21 ZINC000047406002 570887408 /nfs/dbraw/zinc/88/74/08/570887408.db2.gz FQEQAMANRUGHQP-HXUWFJFHSA-N 1 2 364.401 3.584 50 30 FHEALO C#CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21 ZINC000047406002 570887413 /nfs/dbraw/zinc/88/74/13/570887413.db2.gz FQEQAMANRUGHQP-HXUWFJFHSA-N 1 2 364.401 3.584 50 30 FHEALO C=CCn1c(SCc2cn3cccc(C)c3[nH+]2)nc2ccsc2c1=O ZINC000009366949 571106741 /nfs/dbraw/zinc/10/67/41/571106741.db2.gz DRFQAENNGZZXBK-UHFFFAOYSA-N 1 2 368.487 3.892 50 30 FHEALO O=C(Cc1cn2ccccc2[nH+]1)Nc1cccc(C#Cc2cccs2)c1 ZINC000029824216 571151033 /nfs/dbraw/zinc/15/10/33/571151033.db2.gz OHRPWCIYDCYMLC-UHFFFAOYSA-N 1 2 357.438 3.977 50 30 FHEALO CC(=O)C1=C2C[C@@H](c3ccccc3)[N@H+](Cc3ccccc3)C[C@]2(C)OC1=O ZINC000075271038 571158788 /nfs/dbraw/zinc/15/87/88/571158788.db2.gz PABCIRHVJYRDQO-REWPJTCUSA-N 1 2 361.441 3.835 50 30 FHEALO CC(=O)C1=C2C[C@@H](c3ccccc3)[N@@H+](Cc3ccccc3)C[C@]2(C)OC1=O ZINC000075271038 571158789 /nfs/dbraw/zinc/15/87/89/571158789.db2.gz PABCIRHVJYRDQO-REWPJTCUSA-N 1 2 361.441 3.835 50 30 FHEALO N#Cc1cc([N+](=O)[O-])c(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)cc1C#N ZINC000004698212 571163223 /nfs/dbraw/zinc/16/32/23/571163223.db2.gz BVNRKNTUUCHRLK-UHFFFAOYSA-N 1 2 372.388 3.598 50 30 FHEALO C[C@@H]1CCC[N@H+](Cc2c3c(ccc2O)C(=O)/C(=C/c2cccnc2)O3)C1 ZINC000020517932 571330463 /nfs/dbraw/zinc/33/04/63/571330463.db2.gz SXNUIQMUHDXGEA-SAGYFLTASA-N 1 2 350.418 3.635 50 30 FHEALO C[C@@H]1CCC[N@@H+](Cc2c3c(ccc2O)C(=O)/C(=C/c2cccnc2)O3)C1 ZINC000020517932 571330464 /nfs/dbraw/zinc/33/04/64/571330464.db2.gz SXNUIQMUHDXGEA-SAGYFLTASA-N 1 2 350.418 3.635 50 30 FHEALO C=CCN(CC=C)C(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000007985742 571358131 /nfs/dbraw/zinc/35/81/31/571358131.db2.gz HKZKKKSVVKHFDP-UHFFFAOYSA-N 1 2 360.461 3.849 50 30 FHEALO CC(=O)Nc1c(C#N)c(-c2ccc([N+](=O)[O-])cc2)cc2[nH+]c3ccccc3n21 ZINC000005827081 204226943 /nfs/dbraw/zinc/22/69/43/204226943.db2.gz MNBHFKVCOPFXGY-UHFFFAOYSA-N 1 2 371.356 3.893 50 30 FHEALO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000008748884 204344282 /nfs/dbraw/zinc/34/42/82/204344282.db2.gz UCPZNBWNOIJCEK-LJQANCHMSA-N 1 2 369.852 3.996 50 30 FHEALO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000008748884 204344287 /nfs/dbraw/zinc/34/42/87/204344287.db2.gz UCPZNBWNOIJCEK-LJQANCHMSA-N 1 2 369.852 3.996 50 30 FHEALO CCOc1ccc(/N=C2/c3ccccc3N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000013511343 204533805 /nfs/dbraw/zinc/53/38/05/204533805.db2.gz PDFFMUWVLQHPCK-LNVKXUELSA-N 1 2 363.461 3.996 50 30 FHEALO C=CCn1cc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccc(Cl)s2)cn1 ZINC000067803909 205023813 /nfs/dbraw/zinc/02/38/13/205023813.db2.gz XDLVFKAWWZWADP-QGZVFWFLSA-N 1 2 359.886 3.655 50 30 FHEALO C=CCn1nc(C)c(CN2CCc3[nH+]c[nH]c3[C@H]2c2cccc(F)c2)c1C ZINC000067473382 221255504 /nfs/dbraw/zinc/25/55/04/221255504.db2.gz BNFPGPDZPTVHNL-OAQYLSRUSA-N 1 2 365.456 3.696 50 30 FHEALO C[C@@H]1CN(c2ccccc2C#N)C(=O)C[N@@H+]1Cc1ccc2ccccc2c1 ZINC000082167219 132197718 /nfs/dbraw/zinc/19/77/18/132197718.db2.gz DYBDMBWBENLYDP-QGZVFWFLSA-N 1 2 355.441 3.949 50 30 FHEALO C[C@@H]1CN(c2ccccc2C#N)C(=O)C[N@H+]1Cc1ccc2ccccc2c1 ZINC000082167219 132197720 /nfs/dbraw/zinc/19/77/20/132197720.db2.gz DYBDMBWBENLYDP-QGZVFWFLSA-N 1 2 355.441 3.949 50 30 FHEALO COc1ccc([NH+]=C(Nc2ccc(C#N)cc2)n2sc(C)cc2=N)cc1 ZINC000020344026 524379946 /nfs/dbraw/zinc/37/99/46/524379946.db2.gz AEXSPMRZJQZQCF-UHFFFAOYSA-N 1 2 363.446 3.866 50 30 FHEALO O=C(/C=C/c1cn(C[NH+]2CCOCC2)c2ccccc12)c1cccs1 ZINC000020533233 527646632 /nfs/dbraw/zinc/64/66/32/527646632.db2.gz GYFMRXRYHFABBD-BQYQJAHWSA-N 1 2 352.459 3.889 50 30 FHEALO O=C1C[C@H]([NH+]2CCN(c3ccccc3)CC2)C=C1Nc1ccc(Cl)cc1 ZINC000004347689 570586158 /nfs/dbraw/zinc/58/61/58/570586158.db2.gz KCLWVAYPAFNJFB-LJQANCHMSA-N 1 2 367.880 3.799 50 30 FHEALO N#Cc1ccc(C[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)c(F)c1 ZINC000022836107 570694062 /nfs/dbraw/zinc/69/40/62/570694062.db2.gz VDJAJHZEGVTKLV-UHFFFAOYSA-N 1 2 361.823 3.808 50 30 FHEALO CC/N=C1\S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C(=O)N1CC ZINC000013881088 570794917 /nfs/dbraw/zinc/79/49/17/570794917.db2.gz RHJGSCJXSISQBL-PTPABZONSA-N 1 2 368.506 3.855 50 30 FHEALO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1)c1ccccc1F ZINC000046089284 570926109 /nfs/dbraw/zinc/92/61/09/570926109.db2.gz ANJUOSNLXDQQOV-QGZVFWFLSA-N 1 2 357.454 3.971 50 30 FHEALO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccsc1)c1ccccc1F ZINC000046089284 570926112 /nfs/dbraw/zinc/92/61/12/570926112.db2.gz ANJUOSNLXDQQOV-QGZVFWFLSA-N 1 2 357.454 3.971 50 30 FHEALO C=CCn1cc(C[N@@H+]2CCO[C@H](Cc3cccc4ccccc43)C2)c(C)n1 ZINC000071752016 571053021 /nfs/dbraw/zinc/05/30/21/571053021.db2.gz FLJGUEXOKXJIJZ-JOCHJYFZSA-N 1 2 361.489 3.974 50 30 FHEALO C=CCn1cc(C[N@H+]2CCO[C@H](Cc3cccc4ccccc43)C2)c(C)n1 ZINC000071752016 571053023 /nfs/dbraw/zinc/05/30/23/571053023.db2.gz FLJGUEXOKXJIJZ-JOCHJYFZSA-N 1 2 361.489 3.974 50 30 FHEALO C=CCn1cc(C[N@H+](Cc2cccnc2)Cc2ccccc2OC)c(C)n1 ZINC000055254440 571058487 /nfs/dbraw/zinc/05/84/87/571058487.db2.gz GQSNOYXTHRLNQB-UHFFFAOYSA-N 1 2 362.477 3.984 50 30 FHEALO C=CCn1cc(C[N@@H+](Cc2cccnc2)Cc2ccccc2OC)c(C)n1 ZINC000055254440 571058489 /nfs/dbraw/zinc/05/84/89/571058489.db2.gz GQSNOYXTHRLNQB-UHFFFAOYSA-N 1 2 362.477 3.984 50 30 FHEALO CC1CC[NH+](CN2c3ccccc3/C(=N/c3cccc(F)c3)C2=O)CC1 ZINC000012417803 571097394 /nfs/dbraw/zinc/09/73/94/571097394.db2.gz YZCJMBXHWPHCQW-ATJXCDBQSA-N 1 2 351.425 3.983 50 30 FHEALO C=CCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)c(C)c2)c1=[NH2+] ZINC000019943251 571141034 /nfs/dbraw/zinc/14/10/34/571141034.db2.gz ZIKPVSNOPRUNTD-HNNXBMFYSA-N 1 2 371.868 3.510 50 30 FHEALO C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](C)C3 ZINC000019758786 571141054 /nfs/dbraw/zinc/14/10/54/571141054.db2.gz ANAONYNKXGIQFR-UHFFFAOYSA-N 1 2 369.515 3.713 50 30 FHEALO C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](C)C3 ZINC000019758786 571141055 /nfs/dbraw/zinc/14/10/55/571141055.db2.gz ANAONYNKXGIQFR-UHFFFAOYSA-N 1 2 369.515 3.713 50 30 FHEALO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000054271948 571208047 /nfs/dbraw/zinc/20/80/47/571208047.db2.gz AMOUDTSRTIAIIT-UHFFFAOYSA-N 1 2 370.405 3.658 50 30 FHEALO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000054271948 571208049 /nfs/dbraw/zinc/20/80/49/571208049.db2.gz AMOUDTSRTIAIIT-UHFFFAOYSA-N 1 2 370.405 3.658 50 30 FHEALO C=CCOc1ccc(/C=C/C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000012627398 571209906 /nfs/dbraw/zinc/20/99/06/571209906.db2.gz XKFJWUKPIRAUHO-YDYPUGOESA-N 1 2 373.456 3.904 50 30 FHEALO C[C@H]1CCC[N@H+](Cc2c3c(ccc2O)C(=O)/C(=C/c2ccncc2)O3)C1 ZINC000020517925 571330522 /nfs/dbraw/zinc/33/05/22/571330522.db2.gz ZRBIOUMOFYOBQD-KVMVOAJRSA-N 1 2 350.418 3.635 50 30 FHEALO C[C@H]1CCC[N@@H+](Cc2c3c(ccc2O)C(=O)/C(=C/c2ccncc2)O3)C1 ZINC000020517925 571330523 /nfs/dbraw/zinc/33/05/23/571330523.db2.gz ZRBIOUMOFYOBQD-KVMVOAJRSA-N 1 2 350.418 3.635 50 30 FHEALO CC(=O)C1=C2C[C@H](c3ccccc3)[N@H+](Cc3ccccc3)C[C@@]2(C)OC1=O ZINC000230210120 571344711 /nfs/dbraw/zinc/34/47/11/571344711.db2.gz PABCIRHVJYRDQO-NFBKMPQASA-N 1 2 361.441 3.835 50 30 FHEALO CC(=O)C1=C2C[C@H](c3ccccc3)[N@@H+](Cc3ccccc3)C[C@@]2(C)OC1=O ZINC000230210120 571344712 /nfs/dbraw/zinc/34/47/12/571344712.db2.gz PABCIRHVJYRDQO-NFBKMPQASA-N 1 2 361.441 3.835 50 30 FHEALO CCN(CC)c1ccc(C=[NH+]Nc2nc(C)cc(COC)c2C#N)cc1 ZINC000004016790 204117913 /nfs/dbraw/zinc/11/79/13/204117913.db2.gz JJQVODSLZSVPHF-LPYMAVHISA-N 1 2 351.454 3.700 50 30 FHEALO [NH2+]=C(CSc1ccc(C(F)(F)F)cn1)NOC(=O)Nc1ccccc1 ZINC000004365248 204135799 /nfs/dbraw/zinc/13/57/99/204135799.db2.gz JNKDHTZOBRRUDO-UHFFFAOYSA-N 1 2 370.356 3.713 50 30 FHEALO N#Cc1c(NC(=O)CSc2[nH+]cc3ccccn32)sc2c1CCCC2 ZINC000008709821 204339661 /nfs/dbraw/zinc/33/96/61/204339661.db2.gz QCADHFBVEMGEQB-UHFFFAOYSA-N 1 2 368.487 3.877 50 30 FHEALO COc1ccc(-c2nc(C[NH+]3CCC(C#N)CC3)c(C)o2)c(OC)c1C ZINC000067869348 205398864 /nfs/dbraw/zinc/39/88/64/205398864.db2.gz OVLVCGLPPSWANY-UHFFFAOYSA-N 1 2 355.438 3.711 50 30 FHEALO COc1ccccc1N1CC[NH+](CC#C[C@]2(C)CCCC(C)(C)O2)CC1 ZINC000019933970 132373754 /nfs/dbraw/zinc/37/37/54/132373754.db2.gz FSPAZPKCGQNDDV-QFIPXVFZSA-N 1 2 356.510 3.558 50 30 FHEALO Cc1ccc(OCC[N@@H+](C)CC(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000031559831 263392043 /nfs/dbraw/zinc/39/20/43/263392043.db2.gz JRWNXFPGGHWYBI-UHFFFAOYSA-N 1 2 366.421 3.644 50 30 FHEALO Cc1ccc(OCC[N@H+](C)CC(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000031559831 263392044 /nfs/dbraw/zinc/39/20/44/263392044.db2.gz JRWNXFPGGHWYBI-UHFFFAOYSA-N 1 2 366.421 3.644 50 30 FHEALO CN(C)c1ccc(C=[NH+]Nc2cncc([C@@H](C#N)c3ccccc3)n2)cc1 ZINC000004117001 522135620 /nfs/dbraw/zinc/13/56/20/522135620.db2.gz DUQKHLJZEIEDSL-BBMHEYIBSA-N 1 2 356.433 3.644 50 30 FHEALO Cc1cc(N)nc(S[C@@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)[nH+]1 ZINC000096129912 525045104 /nfs/dbraw/zinc/04/51/04/525045104.db2.gz TTWIKDAERWFCGT-MFVBVHDHSA-N 1 2 368.506 3.728 50 30 FHEALO COc1ccc(/C(C)=N\N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020123655 570910336 /nfs/dbraw/zinc/91/03/36/570910336.db2.gz JXNXMJAMKXYMMK-JWGURIENSA-N 1 2 357.885 3.890 50 30 FHEALO Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=[NH+]Cc1ccc(Cl)cc1 ZINC000109926521 571114589 /nfs/dbraw/zinc/11/45/89/571114589.db2.gz ZVLJGECRLJAWDS-JAIQZWGSSA-N 1 2 370.796 3.655 50 30 FHEALO CC#CC[N@H+](Cc1ccco1)Cc1c[nH]nc1-c1ccc(OC)cc1F ZINC000012305480 571118008 /nfs/dbraw/zinc/11/80/08/571118008.db2.gz PNQNAWSLUWCQHQ-UHFFFAOYSA-N 1 2 353.397 3.843 50 30 FHEALO CC#CC[N@@H+](Cc1ccco1)Cc1c[nH]nc1-c1ccc(OC)cc1F ZINC000012305480 571118010 /nfs/dbraw/zinc/11/80/10/571118010.db2.gz PNQNAWSLUWCQHQ-UHFFFAOYSA-N 1 2 353.397 3.843 50 30 FHEALO N#Cc1cccc(C(=O)Nc2ccc(C3=CSC4=[NH+]CCCN34)cc2)c1 ZINC000012891429 571142519 /nfs/dbraw/zinc/14/25/19/571142519.db2.gz WFZZTFSMILJKRC-UHFFFAOYSA-N 1 2 360.442 3.917 50 30 FHEALO C[C@@H]1CCC[N@H+](Cc2c3c(ccc2O)C(=O)/C(=C/c2ccncc2)O3)C1 ZINC000020517923 571330500 /nfs/dbraw/zinc/33/05/00/571330500.db2.gz ZRBIOUMOFYOBQD-AXLWCPOOSA-N 1 2 350.418 3.635 50 30 FHEALO C[C@@H]1CCC[N@@H+](Cc2c3c(ccc2O)C(=O)/C(=C/c2ccncc2)O3)C1 ZINC000020517923 571330501 /nfs/dbraw/zinc/33/05/01/571330501.db2.gz ZRBIOUMOFYOBQD-AXLWCPOOSA-N 1 2 350.418 3.635 50 30 FHEALO COc1ccccc1/C=C1\Oc2c(c(C)cc(O)c2C[NH+]2CCCC2)C1=O ZINC000020573211 571331153 /nfs/dbraw/zinc/33/11/53/571331153.db2.gz GKKHQRIMMUTCDA-UNOMPAQXSA-N 1 2 365.429 3.921 50 30 FHEALO C=CCn1cc(-c2c(-c3ccccc3)ncn2Cc2[nH+]ccn2CC)cn1 ZINC000065488199 203823219 /nfs/dbraw/zinc/82/32/19/203823219.db2.gz ZPTWOTNDMNYUSF-UHFFFAOYSA-N 1 2 358.449 3.864 50 30 FHEALO COc1cc(-c2cc3[nH+]c4ccccc4n3c(N)c2C#N)cc(OC)c1OC ZINC000005827039 204227385 /nfs/dbraw/zinc/22/73/85/204227385.db2.gz IJKHKTVWSJFHPW-UHFFFAOYSA-N 1 2 374.400 3.634 50 30 FHEALO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)sc2c1CCC2 ZINC000007990013 204313855 /nfs/dbraw/zinc/31/38/55/204313855.db2.gz OWKKXNBSNPMPJV-AWEZNQCLSA-N 1 2 357.504 3.946 50 30 FHEALO N#Cc1c(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)sc2c1CCC2 ZINC000007990013 204313858 /nfs/dbraw/zinc/31/38/58/204313858.db2.gz OWKKXNBSNPMPJV-AWEZNQCLSA-N 1 2 357.504 3.946 50 30 FHEALO C/C(=N\N1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000020190671 220318353 /nfs/dbraw/zinc/31/83/53/220318353.db2.gz ICAFQYJYPKANBZ-RCCKNPSSSA-N 1 2 372.856 3.790 50 30 FHEALO CC(C)(C)N(Cc1ccccc1)C(=O)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000021585811 518702532 /nfs/dbraw/zinc/70/25/32/518702532.db2.gz SDTKLJHUQQTATI-UHFFFAOYSA-N 1 2 373.884 3.804 50 30 FHEALO CCn1cc(Br)c(/C=C/C(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000006243871 523310002 /nfs/dbraw/zinc/31/00/02/523310002.db2.gz ISSHFFVIQCHCFF-BQYQJAHWSA-N 1 2 371.238 3.747 50 30 FHEALO C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H](C[NH+]4CC4)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261491962 525312857 /nfs/dbraw/zinc/31/28/57/525312857.db2.gz MUIGAJJYQBDLDV-PCVXREBVSA-N 1 2 357.538 3.811 50 30 FHEALO CC1CC[NH+](CN2c3ccccc3C(=NNc3ccccc3F)C2=O)CC1 ZINC000033821626 570586919 /nfs/dbraw/zinc/58/69/19/570586919.db2.gz OTRWPNXIJCEHKY-GFMRDNFCSA-N 1 2 366.440 3.678 50 30 FHEALO CC/C(=N\N1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(O)cc1 ZINC000019791212 570903337 /nfs/dbraw/zinc/90/33/37/570903337.db2.gz CBPLVKCMVOQJCC-LSDHQDQOSA-N 1 2 357.885 3.978 50 30 FHEALO COc1cccc(/C(C)=N/N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000019834263 570904168 /nfs/dbraw/zinc/90/41/68/570904168.db2.gz GWZAOYUSQSKMKA-CJLVFECKSA-N 1 2 357.885 3.890 50 30 FHEALO C=CCn1cc(C[N@@H+]2CCO[C@@H](Cc3cccc4ccccc43)C2)c(C)n1 ZINC000071752017 571053062 /nfs/dbraw/zinc/05/30/62/571053062.db2.gz FLJGUEXOKXJIJZ-QFIPXVFZSA-N 1 2 361.489 3.974 50 30 FHEALO C=CCn1cc(C[N@H+]2CCO[C@@H](Cc3cccc4ccccc43)C2)c(C)n1 ZINC000071752017 571053063 /nfs/dbraw/zinc/05/30/63/571053063.db2.gz FLJGUEXOKXJIJZ-QFIPXVFZSA-N 1 2 361.489 3.974 50 30 FHEALO CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C[NH2+]Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000257347918 571135668 /nfs/dbraw/zinc/13/56/68/571135668.db2.gz YVWBACPZDDNQBJ-QSYBZJEFSA-N 1 2 360.370 3.542 50 30 FHEALO CC(C)[NH+]=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccs1 ZINC000075126058 571156458 /nfs/dbraw/zinc/15/64/58/571156458.db2.gz XJEUADZLKOFKOS-QGZVFWFLSA-N 1 2 355.507 3.856 50 30 FHEALO C[C@@H]1CCC[N@H+](CN2c3ccccc3/C(=N/c3cccc(F)c3)C2=O)C1 ZINC000016609099 571203993 /nfs/dbraw/zinc/20/39/93/571203993.db2.gz PCKFIEFIOXESBV-LYLVPTPKSA-N 1 2 351.425 3.983 50 30 FHEALO C[C@@H]1CCC[N@@H+](CN2c3ccccc3/C(=N/c3cccc(F)c3)C2=O)C1 ZINC000016609099 571203995 /nfs/dbraw/zinc/20/39/95/571203995.db2.gz PCKFIEFIOXESBV-LYLVPTPKSA-N 1 2 351.425 3.983 50 30 FHEALO N#C[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(Cn4cc[nH+]c4)cc3)c2)C1 ZINC000426698500 571235658 /nfs/dbraw/zinc/23/56/58/571235658.db2.gz WCVBUUOYCUMNRM-IBGZPJMESA-N 1 2 370.456 3.974 50 30 FHEALO Cc1ccc(C(N)=[NH+]OCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 ZINC000065522661 571264347 /nfs/dbraw/zinc/26/43/47/571264347.db2.gz PGZIDXFMURVMKW-MRXNPFEDSA-N 1 2 361.445 3.663 50 30 FHEALO C[NH+](C)Cc1c2c(ccc1O)C(=O)/C(=C/c1cccc(Br)c1)O2 ZINC000020519011 571330639 /nfs/dbraw/zinc/33/06/39/571330639.db2.gz NNIOBXOAWGMBMW-SXGWCWSVSA-N 1 2 374.234 3.833 50 30 FHEALO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000057352488 571342632 /nfs/dbraw/zinc/34/26/32/571342632.db2.gz SLEIBKAHQKCXLA-HNNXBMFYSA-N 1 2 370.522 3.974 50 30 FHEALO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000057352488 571342633 /nfs/dbraw/zinc/34/26/33/571342633.db2.gz SLEIBKAHQKCXLA-HNNXBMFYSA-N 1 2 370.522 3.974 50 30 FHEALO CN(C)c1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000005334479 204203774 /nfs/dbraw/zinc/20/37/74/204203774.db2.gz YNNQNJUNKGXSDG-LICLKQGHSA-N 1 2 363.215 3.869 50 30 FHEALO Cc1cc(O)c(C[NH+]2CCC(C)CC2)c2c1C(=O)/C(=C\c1cccnc1)O2 ZINC000037857542 205033190 /nfs/dbraw/zinc/03/31/90/205033190.db2.gz ORDXGXKFAFMEQL-YBFXNURJSA-N 1 2 364.445 3.944 50 30 FHEALO N#CCCN(C(=O)C[N@@H+]1CCc2sccc2C1)c1cccc(Cl)c1 ZINC000057648158 205242188 /nfs/dbraw/zinc/24/21/88/205242188.db2.gz DJEGPTBEWYZGFL-UHFFFAOYSA-N 1 2 359.882 3.706 50 30 FHEALO N#CCCN(C(=O)C[N@H+]1CCc2sccc2C1)c1cccc(Cl)c1 ZINC000057648158 205242194 /nfs/dbraw/zinc/24/21/94/205242194.db2.gz DJEGPTBEWYZGFL-UHFFFAOYSA-N 1 2 359.882 3.706 50 30 FHEALO C[C@H](NC(=S)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000013878786 206306234 /nfs/dbraw/zinc/30/62/34/206306234.db2.gz YALMUZHUZWPMBX-YOEHRIQHSA-N 1 2 361.536 3.908 50 30 FHEALO COc1cccc(/C=N/N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1OC ZINC000020171715 220317532 /nfs/dbraw/zinc/31/75/32/220317532.db2.gz VRNWQFAUNRGABO-HYARGMPZSA-N 1 2 373.884 3.509 50 30 FHEALO N#Cc1cccc(Br)c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000095080972 132206679 /nfs/dbraw/zinc/20/66/79/132206679.db2.gz DQRQFVWKZGBYOI-UHFFFAOYSA-N 1 2 356.267 3.643 50 30 FHEALO C=CCn1cc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccc(Cl)s2)cn1 ZINC000067803908 519280258 /nfs/dbraw/zinc/28/02/58/519280258.db2.gz XDLVFKAWWZWADP-KRWDZBQOSA-N 1 2 359.886 3.655 50 30 FHEALO N#Cc1cccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)c1 ZINC000082087238 526697818 /nfs/dbraw/zinc/69/78/18/526697818.db2.gz WSRFLMRIQIOYEX-NRFANRHFSA-N 1 2 370.456 3.823 50 30 FHEALO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000071747462 570511680 /nfs/dbraw/zinc/51/16/80/570511680.db2.gz QQEWSONKYYCMSM-KRWDZBQOSA-N 1 2 352.409 3.801 50 30 FHEALO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000071747462 570511685 /nfs/dbraw/zinc/51/16/85/570511685.db2.gz QQEWSONKYYCMSM-KRWDZBQOSA-N 1 2 352.409 3.801 50 30 FHEALO CC(=O)C1=C(NCCc2[nH]c3ccccc3[nH+]2)C[C@H](c2ccccc2)CC1=O ZINC000100168925 570527197 /nfs/dbraw/zinc/52/71/97/570527197.db2.gz XVMZPMXVDFFJTJ-KRWDZBQOSA-N 1 2 373.456 3.685 50 30 FHEALO C=CC[N@@H+](CN1C(=O)NC2(CCC(C)CC2)C1=O)[C@H]1CCc2ccccc21 ZINC000032916159 570857579 /nfs/dbraw/zinc/85/75/79/570857579.db2.gz CMNKNZZWUIIBGC-UEUGHCDMSA-N 1 2 367.493 3.620 50 30 FHEALO C=CC[N@H+](CN1C(=O)NC2(CCC(C)CC2)C1=O)[C@H]1CCc2ccccc21 ZINC000032916159 570857581 /nfs/dbraw/zinc/85/75/81/570857581.db2.gz CMNKNZZWUIIBGC-UEUGHCDMSA-N 1 2 367.493 3.620 50 30 FHEALO COc1ccc(/C(C)=N\N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000019881060 570905376 /nfs/dbraw/zinc/90/53/76/570905376.db2.gz ILIKQSRJWVVDMW-JWGURIENSA-N 1 2 357.885 3.890 50 30 FHEALO CC1CC[NH+](Cc2c3c(ccc2O)C(=O)/C(=C/c2ccncc2)O3)CC1 ZINC000020533430 570919082 /nfs/dbraw/zinc/91/90/82/570919082.db2.gz BZBXHDVRFIBQRJ-UNOMPAQXSA-N 1 2 350.418 3.635 50 30 FHEALO C=CCn1c(C[N@@H+](C)Cc2ccccc2O)nnc1SCC(=C)Cl ZINC000014990183 571121586 /nfs/dbraw/zinc/12/15/86/571121586.db2.gz OKDJXLXUWDIQFG-UHFFFAOYSA-N 1 2 364.902 3.646 50 30 FHEALO C=CCn1c(C[N@H+](C)Cc2ccccc2O)nnc1SCC(=C)Cl ZINC000014990183 571121589 /nfs/dbraw/zinc/12/15/89/571121589.db2.gz OKDJXLXUWDIQFG-UHFFFAOYSA-N 1 2 364.902 3.646 50 30 FHEALO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2c2cc(OC)ccc2OC)c1=S ZINC000012868633 571130886 /nfs/dbraw/zinc/13/08/86/571130886.db2.gz ZUNPLPVTAPKING-KRWDZBQOSA-N 1 2 374.510 3.720 50 30 FHEALO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)c1=S ZINC000012868633 571130890 /nfs/dbraw/zinc/13/08/90/571130890.db2.gz ZUNPLPVTAPKING-KRWDZBQOSA-N 1 2 374.510 3.720 50 30 FHEALO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000075572259 571201034 /nfs/dbraw/zinc/20/10/34/571201034.db2.gz OHTGBBXPYDSWSF-CQSZACIVSA-N 1 2 358.404 3.830 50 30 FHEALO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000075572259 571201036 /nfs/dbraw/zinc/20/10/36/571201036.db2.gz OHTGBBXPYDSWSF-CQSZACIVSA-N 1 2 358.404 3.830 50 30 FHEALO CC(=O)Nc1ccc(-n2cc[nH+]c2-c2ccc(C#CC(C)(C)O)cc2)cc1 ZINC000082106095 571205922 /nfs/dbraw/zinc/20/59/22/571205922.db2.gz QAVHARKFOQYODW-UHFFFAOYSA-N 1 2 359.429 3.620 50 30 FHEALO C=CCN(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C(=O)NC(C)C ZINC000006689855 571240708 /nfs/dbraw/zinc/24/07/08/571240708.db2.gz SPHLTGRBLHQXML-UHFFFAOYSA-N 1 2 364.852 3.830 50 30 FHEALO Cc1ccc(C(N)=[NH+]OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000065522659 571264394 /nfs/dbraw/zinc/26/43/94/571264394.db2.gz PGZIDXFMURVMKW-INIZCTEOSA-N 1 2 361.445 3.663 50 30 FHEALO N#Cc1nc(-c2ccccc2)oc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000027745083 571321146 /nfs/dbraw/zinc/32/11/46/571321146.db2.gz KESDTTSPTFILSB-FQEVSTJZSA-N 1 2 374.444 3.699 50 30 FHEALO CCOC1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000095953655 571332784 /nfs/dbraw/zinc/33/27/84/571332784.db2.gz CADRJRSYPBXBGQ-HNNXBMFYSA-N 1 2 361.511 3.520 50 30 FHEALO CCN(CC)c1ccc([N+](=O)[O-])cc1/C=[NH+]/NC(=S)Nc1ccccc1 ZINC000004180720 204125888 /nfs/dbraw/zinc/12/58/88/204125888.db2.gz VXVTYCUJAIDDAD-CPNJWEJPSA-N 1 2 371.466 3.762 50 30 FHEALO CN(C)c1ccc(C=[NH+]Nc2nc3ccccc3[nH]2)cc1Br ZINC000008813853 204346171 /nfs/dbraw/zinc/34/61/71/204346171.db2.gz PBUGWTSGEQYYOK-VCHYOVAHSA-N 1 2 358.243 3.837 50 30 FHEALO CN(C)c1ccc(C=[NH+][N-]c2[nH]c3ccccc3[nH+]2)cc1Br ZINC000008813853 204346176 /nfs/dbraw/zinc/34/61/76/204346176.db2.gz PBUGWTSGEQYYOK-VCHYOVAHSA-N 1 2 358.243 3.837 50 30 FHEALO C[C@@H](NC(=S)NC1CCCCC1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000013686088 204546214 /nfs/dbraw/zinc/54/62/14/204546214.db2.gz FAUWWTDVZLACIY-APWZRJJASA-N 1 2 361.555 3.657 50 30 FHEALO C=CCOc1ccccc1C[NH+]1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000055292249 132303469 /nfs/dbraw/zinc/30/34/69/132303469.db2.gz KPHLUSJSRAYEOK-UHFFFAOYSA-N 1 2 350.462 3.776 50 30 FHEALO CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C[NH2+]Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004794038 263337053 /nfs/dbraw/zinc/33/70/53/263337053.db2.gz YVWBACPZDDNQBJ-OAOSXQHLSA-N 1 2 360.370 3.542 50 30 FHEALO CN(C)c1ccc(C=[NH+]Nc2cc(N3CCCC3)ccc2[N+](=O)[O-])cc1 ZINC000030769985 263391310 /nfs/dbraw/zinc/39/13/10/263391310.db2.gz ZGSKHJYQECWTGV-ZHZULCJRSA-N 1 2 353.426 3.707 50 30 FHEALO CCOc1ccc(C=NN2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000238901403 520932236 /nfs/dbraw/zinc/93/22/36/520932236.db2.gz LZRGNRVXZAUVJR-UHFFFAOYSA-N 1 2 357.885 3.890 50 30 FHEALO CCCNC(=O)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000082070620 521659025 /nfs/dbraw/zinc/65/90/25/521659025.db2.gz GFWMAVSQSDUHPT-GFCCVEGCSA-N 1 2 359.392 3.849 50 30 FHEALO CCCNC(=O)[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000082070620 521659028 /nfs/dbraw/zinc/65/90/28/521659028.db2.gz GFWMAVSQSDUHPT-GFCCVEGCSA-N 1 2 359.392 3.849 50 30 FHEALO COc1ccc(Cn2c3ccccc3nc2C[N@@H+]2CCC[C@H](C=O)C2)cc1 ZINC000261490913 524257912 /nfs/dbraw/zinc/25/79/12/524257912.db2.gz OVRFIUXNLOUMKZ-SFHVURJKSA-N 1 2 363.461 3.504 50 30 FHEALO COc1ccc(Cn2c3ccccc3nc2C[N@H+]2CCC[C@H](C=O)C2)cc1 ZINC000261490913 524257921 /nfs/dbraw/zinc/25/79/21/524257921.db2.gz OVRFIUXNLOUMKZ-SFHVURJKSA-N 1 2 363.461 3.504 50 30 FHEALO COC(=O)c1c(/N=C/c2cc(Cl)ccc2O)sc2c1CC[N@H+](C)C2 ZINC000000694792 570450896 /nfs/dbraw/zinc/45/08/96/570450896.db2.gz DSCCMMKJKLMOFB-UFWORHAWSA-N 1 2 364.854 3.632 50 30 FHEALO Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=[NH+]Cc1ccc(Cl)cc1 ZINC000096316591 570480419 /nfs/dbraw/zinc/48/04/19/570480419.db2.gz ZVLJGECRLJAWDS-RGVLZGJSSA-N 1 2 370.796 3.655 50 30 FHEALO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000032832137 570818733 /nfs/dbraw/zinc/81/87/33/570818733.db2.gz UWTAFYJQTNKADF-SJKOYZFVSA-N 1 2 356.297 3.868 50 30 FHEALO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000032832137 570818737 /nfs/dbraw/zinc/81/87/37/570818737.db2.gz UWTAFYJQTNKADF-SJKOYZFVSA-N 1 2 356.297 3.868 50 30 FHEALO CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+](CCC#N)CC1CCC1 ZINC000072308440 571065522 /nfs/dbraw/zinc/06/55/22/571065522.db2.gz UMRRZXFYKCYRQH-UHFFFAOYSA-N 1 2 359.489 3.969 50 30 FHEALO CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+](CCC#N)CC1CCC1 ZINC000072308440 571065526 /nfs/dbraw/zinc/06/55/26/571065526.db2.gz UMRRZXFYKCYRQH-UHFFFAOYSA-N 1 2 359.489 3.969 50 30 FHEALO CC[C@H](C)[N@H+](CC#Cc1ccccc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000063848945 571072118 /nfs/dbraw/zinc/07/21/18/571072118.db2.gz YBGLBNSGBQJUNZ-SFHVURJKSA-N 1 2 355.503 3.742 50 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ZINC000031745904 571353448 /nfs/dbraw/zinc/35/34/48/571353448.db2.gz TTWIKDAERWFCGT-VVBXCHJUSA-N 1 2 368.506 3.728 50 30 FHEALO N#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000003222607 204083949 /nfs/dbraw/zinc/08/39/49/204083949.db2.gz ZNWYILASFSVMKC-UHFFFAOYSA-N 1 2 374.469 3.825 50 30 FHEALO N#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000003222607 204083953 /nfs/dbraw/zinc/08/39/53/204083953.db2.gz ZNWYILASFSVMKC-UHFFFAOYSA-N 1 2 374.469 3.825 50 30 FHEALO COc1ccccc1/C=C1/Oc2c(c(C)cc(O)c2C[NH+]2CCCC2)C1=O ZINC000037857502 205033712 /nfs/dbraw/zinc/03/37/12/205033712.db2.gz GKKHQRIMMUTCDA-XDHOZWIPSA-N 1 2 365.429 3.921 50 30 FHEALO Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1[nH]cc[nH+]1)C1=C(CCCC1=O)N2 ZINC000018197027 220228308 /nfs/dbraw/zinc/22/83/08/220228308.db2.gz XCSKQFQZPJEAKX-IBGZPJMESA-N 1 2 359.433 3.777 50 30 FHEALO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000008705584 206218393 /nfs/dbraw/zinc/21/83/93/206218393.db2.gz MFKQSGGPPVTDQI-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/06/54/24/519065424.db2.gz GPYXPTAXXFZUMJ-GHRIWEEISA-N 1 2 358.463 3.731 50 30 FHEALO C=CCn1cnn(C[N@@H+](C)Cc2ccc3cc(OC)ccc3c2)c1=S ZINC000008184819 519285212 /nfs/dbraw/zinc/28/52/12/519285212.db2.gz ANTBWESJBAUSKQ-UHFFFAOYSA-N 1 2 354.479 3.851 50 30 FHEALO C=CCn1cnn(C[N@H+](C)Cc2ccc3cc(OC)ccc3c2)c1=S ZINC000008184819 519285218 /nfs/dbraw/zinc/28/52/18/519285218.db2.gz ANTBWESJBAUSKQ-UHFFFAOYSA-N 1 2 354.479 3.851 50 30 FHEALO CCCCCCCCCCCCOC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000101014522 520011304 /nfs/dbraw/zinc/01/13/04/520011304.db2.gz WYEUVBHLUZNGEE-UHFFFAOYSA-N 1 2 354.535 3.648 50 30 FHEALO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000071747461 570511736 /nfs/dbraw/zinc/51/17/36/570511736.db2.gz QQEWSONKYYCMSM-QGZVFWFLSA-N 1 2 352.409 3.801 50 30 FHEALO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000071747461 570511740 /nfs/dbraw/zinc/51/17/40/570511740.db2.gz QQEWSONKYYCMSM-QGZVFWFLSA-N 1 2 352.409 3.801 50 30 FHEALO COc1ccc(/C(C)=N/N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000025329216 570994125 /nfs/dbraw/zinc/99/41/25/570994125.db2.gz ILIKQSRJWVVDMW-CJLVFECKSA-N 1 2 357.885 3.890 50 30 FHEALO C=CCOc1c(Cl)cc(C[NH2+][C@@H](CC)c2ncnn2C)cc1Cl ZINC000055225420 571058031 /nfs/dbraw/zinc/05/80/31/571058031.db2.gz IDBDBIZIKQAZSM-AWEZNQCLSA-N 1 2 355.269 3.928 50 30 FHEALO C=CCn1cnn(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1=S ZINC000014187204 571120939 /nfs/dbraw/zinc/12/09/39/571120939.db2.gz ZZMMIYSNMPVYAW-UHFFFAOYSA-N 1 2 355.467 3.578 50 30 FHEALO C=CCn1c(C)nn(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1=S ZINC000014189741 571121005 /nfs/dbraw/zinc/12/10/05/571121005.db2.gz CEHHQBJJQQMWMB-UHFFFAOYSA-N 1 2 369.494 3.887 50 30 FHEALO C=CCn1c2ccccc2n(C[C@H](O)c2ccc(Br)cc2)c1=[NH2+] ZINC000019771425 571141016 /nfs/dbraw/zinc/14/10/16/571141016.db2.gz DCSHSQDXWATQAH-KRWDZBQOSA-N 1 2 372.266 3.604 50 30 FHEALO CC1CC[NH+](Cc2c3c(ccc2O)C(=O)/C(=C/c2cccnc2)O3)CC1 ZINC000020518567 571330650 /nfs/dbraw/zinc/33/06/50/571330650.db2.gz GVBHAIOPSLZJFT-ODLFYWEKSA-N 1 2 350.418 3.635 50 30 FHEALO Cc1cc(N)nc(S[C@@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)[nH+]1 ZINC000031745907 571353446 /nfs/dbraw/zinc/35/34/46/571353446.db2.gz TTWIKDAERWFCGT-HNEYUBDGSA-N 1 2 368.506 3.728 50 30 FHEALO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COc3ccccc3O2)[C@H]1c1ccc(F)c(F)c1 ZINC000328962368 942230541 /nfs/dbraw/zinc/23/05/41/942230541.db2.gz QQHJUMOVPNACFK-ZYSHUDEJSA-N 1 2 374.387 3.507 50 30 FHEALO C[N@H+]1CC[C@H](NC(=O)[C@@H]2COc3ccccc3O2)[C@H]1c1ccc(F)c(F)c1 ZINC000328962368 942230547 /nfs/dbraw/zinc/23/05/47/942230547.db2.gz QQHJUMOVPNACFK-ZYSHUDEJSA-N 1 2 374.387 3.507 50 30 FHEALO CC(=O)C1=C(NCCc2[nH]c3ccccc3[nH+]2)C[C@@H](c2ccccc2)CC1=O ZINC000100168929 209210409 /nfs/dbraw/zinc/21/04/09/209210409.db2.gz XVMZPMXVDFFJTJ-QGZVFWFLSA-N 1 2 373.456 3.685 50 30 FHEALO CSc1nc(N)c2c([nH+]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 ZINC000004331378 207013534 /nfs/dbraw/zinc/01/35/34/207013534.db2.gz QVRFIRMWDIHYJU-CQSZACIVSA-N 1 2 366.490 3.981 50 30 FHEALO N#Cc1ccc(CCC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000048288990 208397669 /nfs/dbraw/zinc/39/76/69/208397669.db2.gz KBGXMOKKPSEVOP-UHFFFAOYSA-N 1 2 362.477 3.583 50 30 FHEALO CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000096013478 209096041 /nfs/dbraw/zinc/09/60/41/209096041.db2.gz SDMOYKDWUFEIGG-OAHLLOKOSA-N 1 2 369.490 3.863 50 30 FHEALO CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000096013478 209096045 /nfs/dbraw/zinc/09/60/45/209096045.db2.gz SDMOYKDWUFEIGG-OAHLLOKOSA-N 1 2 369.490 3.863 50 30 FHEALO CCN1CCCc2cc(/C=[NH+]/NC(=S)Nc3ccc(OC)cc3)ccc21 ZINC000003035859 132384620 /nfs/dbraw/zinc/38/46/20/132384620.db2.gz TVDGTXDQJAKRLI-KGENOOAVSA-N 1 2 368.506 3.788 50 30 FHEALO CCn1cc[nH+]c1CN(C)C(=O)c1ccc(-c2nc(C)cc(C)c2C#N)cc1 ZINC000426410406 263580112 /nfs/dbraw/zinc/58/01/12/263580112.db2.gz BRQJABKVYKCSNR-UHFFFAOYSA-N 1 2 373.460 3.726 50 30 FHEALO C=CCNC(=O)c1csc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000034669009 518946747 /nfs/dbraw/zinc/94/67/47/518946747.db2.gz FHXCTKSSBUDKTF-UHFFFAOYSA-N 1 2 355.507 3.514 50 30 FHEALO C=CCOc1cccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)c1 ZINC000071260598 519050725 /nfs/dbraw/zinc/05/07/25/519050725.db2.gz CONCVPRLDHUFCW-UHFFFAOYSA-N 1 2 369.494 3.794 50 30 FHEALO CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000007900651 521358288 /nfs/dbraw/zinc/35/82/88/521358288.db2.gz BALGXXCUYMWEHD-JXMROGBWSA-N 1 2 363.417 3.890 50 30 FHEALO Cc1cc(NN=Cc2cccc([N+](=O)[O-])c2)nc(NCc2ccccc2)[nH+]1 ZINC000018157200 525043980 /nfs/dbraw/zinc/04/39/80/525043980.db2.gz ZMUWOPYXSMUXNQ-FYJGNVAPSA-N 1 2 362.393 3.751 50 30 FHEALO C=CCOc1c(Cl)cc(C(=O)NCc2[nH+]ccn2CC)cc1Cl ZINC000055073667 571057657 /nfs/dbraw/zinc/05/76/57/571057657.db2.gz QWMGGPPNJLIJPD-UHFFFAOYSA-N 1 2 354.237 3.705 50 30 FHEALO C[C@@H](NC(=S)NC1CCCCC1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000013878780 571122627 /nfs/dbraw/zinc/12/26/27/571122627.db2.gz NMOMXTJEULRUFE-PBHICJAKSA-N 1 2 367.584 3.718 50 30 FHEALO C#CC[NH+]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)CC1 ZINC000012910485 571143674 /nfs/dbraw/zinc/14/36/74/571143674.db2.gz UBZZXIPHFBDTPA-UHFFFAOYSA-N 1 2 369.468 3.601 50 30 FHEALO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1N1CCCCC1 ZINC000012608413 571190612 /nfs/dbraw/zinc/19/06/12/571190612.db2.gz QQMMHBWHUWLALX-UHFFFAOYSA-N 1 2 362.477 3.619 50 30 FHEALO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1N1CCCCC1 ZINC000012608413 571190613 /nfs/dbraw/zinc/19/06/13/571190613.db2.gz QQMMHBWHUWLALX-UHFFFAOYSA-N 1 2 362.477 3.619 50 30 FHEALO Cc1cc(C)c(C#N)c(Oc2ccc(C[NH+]3CCOCC3)c3cccnc23)n1 ZINC000067850912 571321942 /nfs/dbraw/zinc/32/19/42/571321942.db2.gz GVELALRXFQOGRP-UHFFFAOYSA-N 1 2 374.444 3.743 50 30 FHEALO C[C@H]1C[C@H](C)C[NH+](Cc2c3c(ccc2O)C(=O)/C(=C/c2ccncc2)O3)C1 ZINC000020533453 571330767 /nfs/dbraw/zinc/33/07/67/571330767.db2.gz AZCLLDBMUXTTLW-TYHHXOOKSA-N 1 2 364.445 3.881 50 30 FHEALO Cc1cc(O)c(C[NH+]2CCCCC2)c2c1C(=O)/C(=C/c1cccnc1)O2 ZINC000020589813 571331565 /nfs/dbraw/zinc/33/15/65/571331565.db2.gz UHNQLIFSARUNBB-WQRHYEAKSA-N 1 2 350.418 3.698 50 30 FHEALO COc1ccc(/C=C2\Oc3c(c(C)cc(O)c3C[NH+]3CCCC3)C2=O)cc1 ZINC000020591408 571331597 /nfs/dbraw/zinc/33/15/97/571331597.db2.gz ZLAYFGAZOJNDHD-UNOMPAQXSA-N 1 2 365.429 3.921 50 30 FHEALO C=CCOc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1OC ZINC000030643197 571347143 /nfs/dbraw/zinc/34/71/43/571347143.db2.gz KXPJSEWUPMSFIW-OAQYLSRUSA-N 1 2 363.461 3.873 50 30 FHEALO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)cc1 ZINC000032986505 208063272 /nfs/dbraw/zinc/06/32/72/208063272.db2.gz FAXZDYWATDSTTD-UHFFFAOYSA-N 1 2 373.500 3.714 50 30 FHEALO CCOc1cc(/C=N/N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1O ZINC000012411485 263370553 /nfs/dbraw/zinc/37/05/53/263370553.db2.gz GSMSHLLKVKVLLZ-HYARGMPZSA-N 1 2 373.884 3.596 50 30 FHEALO C/C(=N/N1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000019773100 263376237 /nfs/dbraw/zinc/37/62/37/263376237.db2.gz ICAFQYJYPKANBZ-QNGOZBTKSA-N 1 2 372.856 3.790 50 30 FHEALO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000016341615 518780782 /nfs/dbraw/zinc/78/07/82/518780782.db2.gz ZGNZMKFAFGVTCU-UHFFFAOYSA-N 1 2 359.882 3.906 50 30 FHEALO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000016341615 518780788 /nfs/dbraw/zinc/78/07/88/518780788.db2.gz ZGNZMKFAFGVTCU-UHFFFAOYSA-N 1 2 359.882 3.906 50 30 FHEALO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014186637 570518616 /nfs/dbraw/zinc/51/86/16/570518616.db2.gz WHDCPPVKWQVRHF-ZYHUDNBSSA-N 1 2 359.779 3.813 50 30 FHEALO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014186637 570518620 /nfs/dbraw/zinc/51/86/20/570518620.db2.gz WHDCPPVKWQVRHF-ZYHUDNBSSA-N 1 2 359.779 3.813 50 30 FHEALO C=CCOc1c(Cl)cc(C(=O)N(C)Cc2[nH]cc(C)[nH+]2)cc1Cl ZINC000055072482 571057697 /nfs/dbraw/zinc/05/76/97/571057697.db2.gz WAJCCSITJQOGTC-UHFFFAOYSA-N 1 2 354.237 3.862 50 30 FHEALO C#CC[N@@H+](Cn1c(=O)scc1-c1ccccn1)[C@H]1CCc2ccccc21 ZINC000068614299 571065232 /nfs/dbraw/zinc/06/52/32/571065232.db2.gz DMIGBCZEJJLUSY-IBGZPJMESA-N 1 2 361.470 3.552 50 30 FHEALO C#CC[N@H+](Cn1c(=O)scc1-c1ccccn1)[C@H]1CCc2ccccc21 ZINC000068614299 571065235 /nfs/dbraw/zinc/06/52/35/571065235.db2.gz DMIGBCZEJJLUSY-IBGZPJMESA-N 1 2 361.470 3.552 50 30 FHEALO N#Cc1c(=O)[nH]c(SCC[NH+]2CCCCC2)nc1-c1ccc(Cl)cc1 ZINC000015859833 571138076 /nfs/dbraw/zinc/13/80/76/571138076.db2.gz SKPXVTCQXMQVFA-UHFFFAOYSA-N 1 2 374.897 3.952 50 30 FHEALO COc1cc2c(cc1OC)C[N@H+](CC(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000082049761 571322666 /nfs/dbraw/zinc/32/26/66/571322666.db2.gz WHENKGQDZHNAGC-UHFFFAOYSA-N 1 2 354.450 3.967 50 30 FHEALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000082049761 571322667 /nfs/dbraw/zinc/32/26/67/571322667.db2.gz WHENKGQDZHNAGC-UHFFFAOYSA-N 1 2 354.450 3.967 50 30 FHEALO CC[NH+](CC)Cc1c2c(ccc1O)C(=O)/C(=C/c1cccc(OC)c1)O2 ZINC000020624532 571331604 /nfs/dbraw/zinc/33/16/04/571331604.db2.gz LSZSRNOXQAFCOF-UNOMPAQXSA-N 1 2 353.418 3.859 50 30 FHEALO CC(C)=C1Oc2c(ccc(O)c2C[N@@H+]2CCO[C@@H](c3ccccc3)C2)C1=O ZINC000218070893 571352291 /nfs/dbraw/zinc/35/22/91/571352291.db2.gz UGMHFFMCEMNSFA-LJQANCHMSA-N 1 2 365.429 3.835 50 30 FHEALO CC(C)=C1Oc2c(ccc(O)c2C[N@H+]2CCO[C@@H](c3ccccc3)C2)C1=O ZINC000218070893 571352292 /nfs/dbraw/zinc/35/22/92/571352292.db2.gz UGMHFFMCEMNSFA-LJQANCHMSA-N 1 2 365.429 3.835 50 30 FHEALO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@H]1CCn2c[nH+]cc2C1 ZINC000328958479 942229986 /nfs/dbraw/zinc/22/99/86/942229986.db2.gz OKCCFPAQIBJCPE-TVQRCGJNSA-N 1 2 352.221 3.843 50 30 FHEALO C=CCNC(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023732663 206748519 /nfs/dbraw/zinc/74/85/19/206748519.db2.gz OOMGKKCJWLGYJL-UHFFFAOYSA-N 1 2 371.431 3.567 50 30 FHEALO NC(=[NH+]OCc1cc(Cl)cc2c1OCOC2)c1ccc(Cl)cc1 ZINC000004322857 207014604 /nfs/dbraw/zinc/01/46/04/207014604.db2.gz WYQHPJQOBBMNIR-UHFFFAOYSA-N 1 2 353.205 3.697 50 30 FHEALO [NH2+]=C(NOC(=O)c1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000005013661 263337679 /nfs/dbraw/zinc/33/76/79/263337679.db2.gz SPXAXOXOQREILU-UHFFFAOYSA-N 1 2 361.357 3.739 50 30 FHEALO COc1cc(C(N)=[NH+]OCc2cc(C)ccc2C)ccc1OC(F)F ZINC000057584773 521923718 /nfs/dbraw/zinc/92/37/18/521923718.db2.gz QJTJISATGUGZQR-UHFFFAOYSA-N 1 2 350.365 3.751 50 30 FHEALO COc1ccc(CCC2CC[NH+](CC(=O)Nc3nnc(C)s3)CC2)cc1 ZINC000024097213 523927092 /nfs/dbraw/zinc/92/70/92/523927092.db2.gz WEFVPSHMGYSNTG-UHFFFAOYSA-N 1 2 374.510 3.788 50 30 FHEALO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)N1c2ccccc2C[C@H]1C ZINC000078696009 525877802 /nfs/dbraw/zinc/87/78/02/525877802.db2.gz ZHXCHAWYIKNMKX-KGLIPLIRSA-N 1 2 371.868 3.538 50 30 FHEALO Cc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000014093259 570514931 /nfs/dbraw/zinc/51/49/31/570514931.db2.gz RUQXLZKRWMBKSP-UHFFFAOYSA-N 1 2 359.429 3.571 50 30 FHEALO N#Cc1c(N)nc2c(c1-c1cc(F)cc(F)c1)C[N@H+](Cc1ccco1)CC2 ZINC000072143956 570525953 /nfs/dbraw/zinc/52/59/53/570525953.db2.gz XZMNNNBIVCLYTG-UHFFFAOYSA-N 1 2 366.371 3.632 50 30 FHEALO N#Cc1c(N)nc2c(c1-c1cc(F)cc(F)c1)C[N@@H+](Cc1ccco1)CC2 ZINC000072143956 570525956 /nfs/dbraw/zinc/52/59/56/570525956.db2.gz XZMNNNBIVCLYTG-UHFFFAOYSA-N 1 2 366.371 3.632 50 30 FHEALO C#CC[N@@H+](Cn1c(=O)scc1-c1ccccn1)[C@@H]1CCc2ccccc21 ZINC000068614296 571065240 /nfs/dbraw/zinc/06/52/40/571065240.db2.gz DMIGBCZEJJLUSY-LJQANCHMSA-N 1 2 361.470 3.552 50 30 FHEALO C#CC[N@H+](Cn1c(=O)scc1-c1ccccn1)[C@@H]1CCc2ccccc21 ZINC000068614296 571065243 /nfs/dbraw/zinc/06/52/43/571065243.db2.gz DMIGBCZEJJLUSY-LJQANCHMSA-N 1 2 361.470 3.552 50 30 FHEALO Cc1cccc(NC(=[NH2+])Nc2nc(C(F)(F)F)cc(C(F)(F)F)n2)c1 ZINC000015961975 571070098 /nfs/dbraw/zinc/07/00/98/571070098.db2.gz RCKWARDDWANAQH-UHFFFAOYSA-N 1 2 363.265 3.881 50 30 FHEALO C=CCOc1ccc(C2N3CC4(C(C)C)C[NH+]2CC(C(C)C)(C3)C4=O)cc1 ZINC000019319741 571140747 /nfs/dbraw/zinc/14/07/47/571140747.db2.gz HTCSOHBABRIFJL-UHFFFAOYSA-N 1 2 368.521 3.749 50 30 FHEALO CC(=O)C1=C2C[C@H](c3ccccc3)[N@H+](Cc3ccccc3)C[C@]2(C)OC1=O ZINC000075271036 571158889 /nfs/dbraw/zinc/15/88/89/571158889.db2.gz PABCIRHVJYRDQO-OFNKIYASSA-N 1 2 361.441 3.835 50 30 FHEALO CC(=O)C1=C2C[C@H](c3ccccc3)[N@@H+](Cc3ccccc3)C[C@]2(C)OC1=O ZINC000075271036 571158892 /nfs/dbraw/zinc/15/88/92/571158892.db2.gz PABCIRHVJYRDQO-OFNKIYASSA-N 1 2 361.441 3.835 50 30 FHEALO CC[NH+](CC)Cc1c2c(ccc1O)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 ZINC000020518433 571330631 /nfs/dbraw/zinc/33/06/31/571330631.db2.gz NPUWBTHXVVKEBX-WQRHYEAKSA-N 1 2 368.389 3.758 50 30 FHEALO CC(C)=C1Oc2c(ccc(O)c2C[N@@H+]2CCO[C@H](c3ccccc3)C2)C1=O ZINC000218070815 571352282 /nfs/dbraw/zinc/35/22/82/571352282.db2.gz UGMHFFMCEMNSFA-IBGZPJMESA-N 1 2 365.429 3.835 50 30 FHEALO CC(C)=C1Oc2c(ccc(O)c2C[N@H+]2CCO[C@H](c3ccccc3)C2)C1=O ZINC000218070815 571352283 /nfs/dbraw/zinc/35/22/83/571352283.db2.gz UGMHFFMCEMNSFA-IBGZPJMESA-N 1 2 365.429 3.835 50 30 FHEALO C/C(=N\N1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000032694172 208035337 /nfs/dbraw/zinc/03/53/37/208035337.db2.gz GKDCYDHTHCBRLI-RCCKNPSSSA-N 1 2 372.856 3.790 50 30 FHEALO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)s1 ZINC000008164188 518757207 /nfs/dbraw/zinc/75/72/07/518757207.db2.gz BRALLVDRWSSPJX-UHFFFAOYSA-N 1 2 365.842 3.936 50 30 FHEALO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)s1 ZINC000008164188 518757215 /nfs/dbraw/zinc/75/72/15/518757215.db2.gz BRALLVDRWSSPJX-UHFFFAOYSA-N 1 2 365.842 3.936 50 30 FHEALO CCOc1cccc(/C=N/N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1O ZINC000019849076 521315354 /nfs/dbraw/zinc/31/53/54/521315354.db2.gz UWXFNDRYKAHZMG-HYARGMPZSA-N 1 2 373.884 3.596 50 30 FHEALO COc1ccc([NH+]=C(Nc2cccc(C#N)c2)n2sc(C)cc2=N)cc1 ZINC000020344046 524377591 /nfs/dbraw/zinc/37/75/91/524377591.db2.gz YZFFWUGXSGDDIY-UHFFFAOYSA-N 1 2 363.446 3.866 50 30 FHEALO Cc1cc([N-][NH+]=Cc2ccc(N(C)C)cc2)nc(NCc2ccccc2)[nH+]1 ZINC000004819483 525045020 /nfs/dbraw/zinc/04/50/20/525045020.db2.gz CYJFBURBBCQKBM-HZHRSRAPSA-N 1 2 360.465 3.909 50 30 FHEALO Cc1cc(=N)n(C(Nc2cccc(C#N)c2)=[NH+]c2ccc(F)cc2)s1 ZINC000020344011 526098232 /nfs/dbraw/zinc/09/82/32/526098232.db2.gz HLHHUZHQVCEKOP-UHFFFAOYSA-N 1 2 351.410 3.996 50 30 FHEALO Cc1ccc(C(=O)ONC(=[NH2+])CSc2ncccc2C(F)(F)F)cc1 ZINC000004365348 526237382 /nfs/dbraw/zinc/23/73/82/526237382.db2.gz MRGNWZBTARYYNY-UHFFFAOYSA-N 1 2 369.368 3.630 50 30 FHEALO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014186639 570518315 /nfs/dbraw/zinc/51/83/15/570518315.db2.gz WHDCPPVKWQVRHF-CMPLNLGQSA-N 1 2 359.779 3.813 50 30 FHEALO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014186639 570518316 /nfs/dbraw/zinc/51/83/16/570518316.db2.gz WHDCPPVKWQVRHF-CMPLNLGQSA-N 1 2 359.779 3.813 50 30 FHEALO C[C@@H](NC(=S)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000013878785 571122689 /nfs/dbraw/zinc/12/26/89/571122689.db2.gz YALMUZHUZWPMBX-PBHICJAKSA-N 1 2 361.536 3.908 50 30 FHEALO COc1ccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCCC3)C2=O)cc1 ZINC000020624570 571331535 /nfs/dbraw/zinc/33/15/35/571331535.db2.gz JCJZLQUAMDPSAP-UNOMPAQXSA-N 1 2 351.402 3.613 50 30 FHEALO CC[NH+](CC)Cc1c2c(ccc1O)C(=O)/C(=C/c1ccccc1OC)O2 ZINC000020624382 571331582 /nfs/dbraw/zinc/33/15/82/571331582.db2.gz RPBKKXXUAGBFBY-UNOMPAQXSA-N 1 2 353.418 3.859 50 30 FHEALO CC[NH+](CC)Cc1c2c(ccc1O)C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 ZINC000020611092 571331588 /nfs/dbraw/zinc/33/15/88/571331588.db2.gz DRBMHKRCQJFUBS-GRSHGNNSSA-N 1 2 367.401 3.579 50 30 FHEALO CCN(CC)c1ccc(C=[NH+]NC(=S)Nc2cccc(C)c2)c(O)c1 ZINC000252461443 938830887 /nfs/dbraw/zinc/83/08/87/938830887.db2.gz MMOUCNYLFWCROS-UHFFFAOYSA-N 1 2 356.495 3.867 50 30 FHEALO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1F ZINC000006785508 207164809 /nfs/dbraw/zinc/16/48/09/207164809.db2.gz RPDDLIJMJRYUGH-UHFFFAOYSA-N 1 2 357.454 3.708 50 30 FHEALO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1F ZINC000006785508 207164811 /nfs/dbraw/zinc/16/48/11/207164811.db2.gz RPDDLIJMJRYUGH-UHFFFAOYSA-N 1 2 357.454 3.708 50 30 FHEALO N#CC1(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)CCCC1 ZINC000008001058 207216127 /nfs/dbraw/zinc/21/61/27/207216127.db2.gz WUDPUWWNQLCXFT-GOSISDBHSA-N 1 2 371.531 3.710 50 30 FHEALO N#CC1(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)CCCC1 ZINC000008001058 207216133 /nfs/dbraw/zinc/21/61/33/207216133.db2.gz WUDPUWWNQLCXFT-GOSISDBHSA-N 1 2 371.531 3.710 50 30 FHEALO CCOc1ccc(/C=C/c2nc(C#N)c(NCCCn3cc[nH+]c3)o2)cc1 ZINC000008323885 207228849 /nfs/dbraw/zinc/22/88/49/207228849.db2.gz AQYACTRLZYFNDM-RMKNXTFCSA-N 1 2 363.421 3.814 50 30 FHEALO Cn1cc[nH+]c1[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000009367245 207268047 /nfs/dbraw/zinc/26/80/47/207268047.db2.gz ZBMFAYWGSQVLTM-KRWDZBQOSA-N 1 2 351.341 3.541 50 30 FHEALO COc1ccc(/C=N/N2CC[NH+](Cc3ccccc3Cl)CC2)cc1OC ZINC000022200049 263384786 /nfs/dbraw/zinc/38/47/86/263384786.db2.gz PVPMXVRPUSRNMX-HYARGMPZSA-N 1 2 373.884 3.509 50 30 FHEALO CCOC(=O)c1c(C)c(C(C)=[NH+]Nc2cccc([N+](=O)[O-])c2)sc1N ZINC000004964965 521384730 /nfs/dbraw/zinc/38/47/30/521384730.db2.gz AXMFVWOSNRSQAO-ZDLGFXPLSA-N 1 2 362.411 3.560 50 30 FHEALO Cc1cc(=N)n(C(Nc2ccc(C#N)cc2)=[NH+]c2ccc(F)cc2)s1 ZINC000020344005 526099112 /nfs/dbraw/zinc/09/91/12/526099112.db2.gz FOSOVAMIYZBPIF-UHFFFAOYSA-N 1 2 351.410 3.996 50 30 FHEALO N#CCCCSc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000057530346 526447572 /nfs/dbraw/zinc/44/75/72/526447572.db2.gz YKMVPJMYNJNFDO-UHFFFAOYSA-N 1 2 355.511 3.708 50 30 FHEALO N#Cc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)c1 ZINC000082087237 526697852 /nfs/dbraw/zinc/69/78/52/526697852.db2.gz WSRFLMRIQIOYEX-OAQYLSRUSA-N 1 2 370.456 3.823 50 30 FHEALO C/C(=N/N1CC[NH+](Cc2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])c1 ZINC000019790568 570902920 /nfs/dbraw/zinc/90/29/20/570902920.db2.gz XABNGEVEAXMMPW-QNGOZBTKSA-N 1 2 372.856 3.790 50 30 FHEALO C#CC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 ZINC000052845824 571045207 /nfs/dbraw/zinc/04/52/07/571045207.db2.gz ACNUNXDGGOLADL-GOSISDBHSA-N 1 2 369.424 3.792 50 30 FHEALO C#CC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 ZINC000052845824 571045208 /nfs/dbraw/zinc/04/52/08/571045208.db2.gz ACNUNXDGGOLADL-GOSISDBHSA-N 1 2 369.424 3.792 50 30 FHEALO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2nonc2C)c(OCC=C)c1 ZINC000055341379 571058523 /nfs/dbraw/zinc/05/85/23/571058523.db2.gz ATHUMBJOJZGNIF-SFHVURJKSA-N 1 2 355.438 3.845 50 30 FHEALO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nonc2C)c(OCC=C)c1 ZINC000055341379 571058528 /nfs/dbraw/zinc/05/85/28/571058528.db2.gz ATHUMBJOJZGNIF-SFHVURJKSA-N 1 2 355.438 3.845 50 30 FHEALO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1ccco1 ZINC000009513846 571111663 /nfs/dbraw/zinc/11/16/63/571111663.db2.gz BGDYMKDNNGLDQF-ZDUSSCGKSA-N 1 2 357.479 3.941 50 30 FHEALO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1ccco1 ZINC000009513846 571111664 /nfs/dbraw/zinc/11/16/64/571111664.db2.gz BGDYMKDNNGLDQF-ZDUSSCGKSA-N 1 2 357.479 3.941 50 30 FHEALO N#CC1(c2ccccc2)CC[NH+](Cc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000252482894 571131798 /nfs/dbraw/zinc/13/17/98/571131798.db2.gz DPWHXBXNODFNOA-UHFFFAOYSA-N 1 2 362.408 3.933 50 30 FHEALO Cn1cc[nH+]c1-c1cccc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000426531584 571230588 /nfs/dbraw/zinc/23/05/88/571230588.db2.gz KQQDRADPELNFKY-UHFFFAOYSA-N 1 2 370.456 3.785 50 30 FHEALO Cc1nc(CC(N)=[NH+]OCc2csc(C3CCCCC3)n2)cs1 ZINC000065497104 571264112 /nfs/dbraw/zinc/26/41/12/571264112.db2.gz MPSJISDINJFIBM-UHFFFAOYSA-N 1 2 350.513 3.987 50 30 FHEALO Cc1c[nH+]c(-c2cccnc2)n1[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000581806515 940614022 /nfs/dbraw/zinc/61/40/22/940614022.db2.gz RLCKVQXJTUXNSA-HXUWFJFHSA-N 1 2 371.444 3.603 50 30 FHEALO CN(C)/C=[NH+]/c1c(C#N)cnn1-c1ncnc2sc(-c3ccccc3)cc21 ZINC000100864126 209218645 /nfs/dbraw/zinc/21/86/45/209218645.db2.gz FHLLSNOWUNQSQR-FSJBWODESA-N 1 2 373.445 3.637 50 30 FHEALO N#Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000006610120 207148648 /nfs/dbraw/zinc/14/86/48/207148648.db2.gz DHTLRNPCZBFUME-QGZVFWFLSA-N 1 2 362.458 3.944 50 30 FHEALO N#Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000006610120 207148650 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N#Cc1nc(-c2cccc3ccccc32)oc1NCCC[NH+]1CCOCC1 ZINC000020358270 526786580 /nfs/dbraw/zinc/78/65/80/526786580.db2.gz ULSPWYRLYDGHTD-UHFFFAOYSA-N 1 2 362.433 3.501 50 30 FHEALO CCc1nnc(NC(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC000014190380 570811401 /nfs/dbraw/zinc/81/14/01/570811401.db2.gz OMZNUNAXHUQVEQ-UHFFFAOYSA-N 1 2 358.389 3.839 50 30 FHEALO CCc1nnc(NC(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC000014190380 570811404 /nfs/dbraw/zinc/81/14/04/570811404.db2.gz OMZNUNAXHUQVEQ-UHFFFAOYSA-N 1 2 358.389 3.839 50 30 FHEALO CCOc1ccc(/C=N/N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019879391 570905290 /nfs/dbraw/zinc/90/52/90/570905290.db2.gz ZBNNJEMILRYIFS-PXLXIMEGSA-N 1 2 357.885 3.890 50 30 FHEALO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1=S ZINC000047996163 570932360 /nfs/dbraw/zinc/93/23/60/570932360.db2.gz UKELKYFJAZYTCC-HNNXBMFYSA-N 1 2 369.494 3.887 50 30 FHEALO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1=S ZINC000047996163 570932363 /nfs/dbraw/zinc/93/23/63/570932363.db2.gz UKELKYFJAZYTCC-HNNXBMFYSA-N 1 2 369.494 3.887 50 30 FHEALO O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050893 571147620 /nfs/dbraw/zinc/14/76/20/571147620.db2.gz UCFOJGHYFFEYHM-UHFFFAOYSA-N 1 2 369.346 3.673 50 30 FHEALO CC(=O)[C@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)C[N@H+](C)CC2 ZINC000075286226 571159981 /nfs/dbraw/zinc/15/99/81/571159981.db2.gz DULHHTRBFKITNV-LBPRGKRZSA-N 1 2 357.504 3.739 50 30 FHEALO CC(=O)[C@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)C[N@@H+](C)CC2 ZINC000075286226 571159982 /nfs/dbraw/zinc/15/99/82/571159982.db2.gz DULHHTRBFKITNV-LBPRGKRZSA-N 1 2 357.504 3.739 50 30 FHEALO COC(=O)c1ccccc1CSc1nsc(/C=C/[NH+](C)C)c1C#N ZINC000052525242 571189602 /nfs/dbraw/zinc/18/96/02/571189602.db2.gz INTYVQYOLVFKDX-CMDGGOBGSA-N 1 2 359.476 3.626 50 30 FHEALO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000075572261 571201055 /nfs/dbraw/zinc/20/10/55/571201055.db2.gz OHTGBBXPYDSWSF-AWEZNQCLSA-N 1 2 358.404 3.830 50 30 FHEALO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000075572261 571201058 /nfs/dbraw/zinc/20/10/58/571201058.db2.gz OHTGBBXPYDSWSF-AWEZNQCLSA-N 1 2 358.404 3.830 50 30 FHEALO C=CCOc1ccc(/C=C/C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000012627397 571209971 /nfs/dbraw/zinc/20/99/71/571209971.db2.gz XKFJWUKPIRAUHO-FZNBYNMYSA-N 1 2 373.456 3.904 50 30 FHEALO CN(C)c1ccc(C=[NH+]Nc2cncc([C@H](C#N)c3ccccc3)n2)cc1 ZINC000252600768 571284576 /nfs/dbraw/zinc/28/45/76/571284576.db2.gz DUQKHLJZEIEDSL-LJQANCHMSA-N 1 2 356.433 3.644 50 30 FHEALO CN(C)C=[NH+]c1c(C#N)cnn1-c1ncnc2sc(-c3ccccc3)cc21 ZINC000252602408 571284746 /nfs/dbraw/zinc/28/47/46/571284746.db2.gz FHLLSNOWUNQSQR-UHFFFAOYSA-N 1 2 373.445 3.637 50 30 FHEALO N#Cc1ccccc1C[N@@H+]1CCc2[nH]nc(-c3cc(F)ccc3F)c2C1 ZINC000019146200 571323419 /nfs/dbraw/zinc/32/34/19/571323419.db2.gz ZHDCTIASISEPQW-UHFFFAOYSA-N 1 2 350.372 3.785 50 30 FHEALO N#Cc1ccccc1C[N@H+]1CCc2[nH]nc(-c3cc(F)ccc3F)c2C1 ZINC000019146200 571323420 /nfs/dbraw/zinc/32/34/20/571323420.db2.gz ZHDCTIASISEPQW-UHFFFAOYSA-N 1 2 350.372 3.785 50 30 FHEALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000057352491 571342652 /nfs/dbraw/zinc/34/26/52/571342652.db2.gz SLEIBKAHQKCXLA-OAHLLOKOSA-N 1 2 370.522 3.974 50 30 FHEALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000057352491 571342653 /nfs/dbraw/zinc/34/26/53/571342653.db2.gz SLEIBKAHQKCXLA-OAHLLOKOSA-N 1 2 370.522 3.974 50 30 FHEALO N#CC1(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCCC1 ZINC000008157134 571359619 /nfs/dbraw/zinc/35/96/19/571359619.db2.gz LZZHGKXVYTTWAM-HXUWFJFHSA-N 1 2 365.502 3.648 50 30 FHEALO N#CC1(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCCC1 ZINC000008157134 571359620 /nfs/dbraw/zinc/35/96/20/571359620.db2.gz LZZHGKXVYTTWAM-HXUWFJFHSA-N 1 2 365.502 3.648 50 30 FHEALO O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329354168 943006862 /nfs/dbraw/zinc/00/68/62/943006862.db2.gz VGVNWOZUUXKNPX-RHSMWYFYSA-N 1 2 353.470 3.791 50 30 FHEALO N#Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000021964819 209658467 /nfs/dbraw/zinc/65/84/67/209658467.db2.gz UJYKBTNBWXYGIE-UHFFFAOYSA-N 1 2 373.378 3.535 50 30 FHEALO C[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccnc2nc(/[NH+]=C/N(C)C)nn21 ZINC000100819116 209219242 /nfs/dbraw/zinc/21/92/42/209219242.db2.gz XXJZXWHJOWHGRD-KOUDTOEKSA-N 1 2 366.469 3.783 50 30 FHEALO CC1CC[NH+](CN2c3ccccc3/C(=N\c3cccc(F)c3)C2=O)CC1 ZINC000100067659 209208713 /nfs/dbraw/zinc/20/87/13/209208713.db2.gz YZCJMBXHWPHCQW-BSYVCWPDSA-N 1 2 351.425 3.983 50 30 FHEALO N#Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000006610121 207148729 /nfs/dbraw/zinc/14/87/29/207148729.db2.gz DHTLRNPCZBFUME-KRWDZBQOSA-N 1 2 362.458 3.944 50 30 FHEALO N#Cc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000006610121 207148733 /nfs/dbraw/zinc/14/87/33/207148733.db2.gz DHTLRNPCZBFUME-KRWDZBQOSA-N 1 2 362.458 3.944 50 30 FHEALO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2ccco2)c1C#N ZINC000008751898 207247649 /nfs/dbraw/zinc/24/76/49/207247649.db2.gz ZUQSZADWBPNOBS-UHFFFAOYSA-N 1 2 354.454 3.755 50 30 FHEALO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2ccco2)c1C#N ZINC000008751898 207247651 /nfs/dbraw/zinc/24/76/51/207247651.db2.gz ZUQSZADWBPNOBS-UHFFFAOYSA-N 1 2 354.454 3.755 50 30 FHEALO CC12CN3CC(C)(CN(C1)C3c1ccco1)C2/[NH+]=C/c1cccc2[nH]ccc21 ZINC000032095330 208025914 /nfs/dbraw/zinc/02/59/14/208025914.db2.gz KVLXXKWZWSUCQF-OPEKNORGSA-N 1 2 374.488 3.905 50 30 FHEALO CC[NH+](CC)Cc1c2c(ccc1O)C(=O)/C(=C\c1ccc(OC)cc1)O2 ZINC000036065989 208144478 /nfs/dbraw/zinc/14/44/78/208144478.db2.gz HJASBTALPVQHNR-XDHOZWIPSA-N 1 2 353.418 3.859 50 30 FHEALO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000095953658 209089784 /nfs/dbraw/zinc/08/97/84/209089784.db2.gz RQDUQHNVEVFOEC-GFCCVEGCSA-N 1 2 359.417 3.904 50 30 FHEALO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000095953658 209089782 /nfs/dbraw/zinc/08/97/82/209089782.db2.gz RQDUQHNVEVFOEC-GFCCVEGCSA-N 1 2 359.417 3.904 50 30 FHEALO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2ccsc2n1 ZINC000008163287 518780627 /nfs/dbraw/zinc/78/06/27/518780627.db2.gz MFLVXIZHWZFJNQ-UHFFFAOYSA-N 1 2 351.884 3.659 50 30 FHEALO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2ccsc2n1 ZINC000008163287 518780631 /nfs/dbraw/zinc/78/06/31/518780631.db2.gz MFLVXIZHWZFJNQ-UHFFFAOYSA-N 1 2 351.884 3.659 50 30 FHEALO CC(C)(C)c1ccc(-c2nc(C#N)c(NCCC[NH+]3CCOCC3)o2)cc1 ZINC000020357824 519008771 /nfs/dbraw/zinc/00/87/71/519008771.db2.gz JAGHXBYCCQLTPX-UHFFFAOYSA-N 1 2 368.481 3.645 50 30 FHEALO N#Cc1ccccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082125717 526735801 /nfs/dbraw/zinc/73/58/01/526735801.db2.gz IDWIJUIEXGYFMP-HXUWFJFHSA-N 1 2 370.456 3.823 50 30 FHEALO O=C1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C=C1Nc1ccc(Cl)cc1 ZINC000004347688 570586147 /nfs/dbraw/zinc/58/61/47/570586147.db2.gz KCLWVAYPAFNJFB-IBGZPJMESA-N 1 2 367.880 3.799 50 30 FHEALO C=CC[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc(NC(C)=O)cc1 ZINC000055182921 571058117 /nfs/dbraw/zinc/05/81/17/571058117.db2.gz 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C=CCn1c(=O)c2c([nH]c1=S)sc1c2CC[N@H+](Cc2ccccc2)C1 ZINC000018142691 570813047 /nfs/dbraw/zinc/81/30/47/570813047.db2.gz CSFRAHUUQRWAJK-UHFFFAOYSA-N 1 2 369.515 3.865 50 30 FHEALO CC/N=C1\S/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C(=O)N1CC ZINC000015013318 570829299 /nfs/dbraw/zinc/82/92/99/570829299.db2.gz RHJGSCJXSISQBL-HOOMGSECSA-N 1 2 368.506 3.855 50 30 FHEALO COc1ccc(/C(C)=N/N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020191621 570913288 /nfs/dbraw/zinc/91/32/88/570913288.db2.gz JXNXMJAMKXYMMK-CJLVFECKSA-N 1 2 357.885 3.890 50 30 FHEALO C=CCn1c2ccccc2nc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccco1 ZINC000072427962 571053728 /nfs/dbraw/zinc/05/37/28/571053728.db2.gz FOZMAZHKBFVFDE-HXUWFJFHSA-N 1 2 359.433 3.686 50 30 FHEALO C=CCn1nc(C)c([C@@H]2c3[nH]c[nH+]c3CCN2Cc2cc(C)c(C)o2)c1C ZINC000072426109 571053779 /nfs/dbraw/zinc/05/37/79/571053779.db2.gz FZWJLZOCHSGVHT-OAQYLSRUSA-N 1 2 365.481 3.767 50 30 FHEALO C=CCn1nc(C)c([C@H]2c3[nH]cnc3CC[N@H+]2Cc2sccc2C)c1C ZINC000072463832 571053890 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3.835 50 30 FHEALO CC(=O)C1=C2C[C@@H](c3ccccc3)[N@@H+](Cc3ccccc3)C[C@@]2(C)OC1=O ZINC000230210125 571344721 /nfs/dbraw/zinc/34/47/21/571344721.db2.gz PABCIRHVJYRDQO-NZQKXSOJSA-N 1 2 361.441 3.835 50 30 FHEALO CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[N@@H+](C)C3)c(O)c1 ZINC000004045768 571354462 /nfs/dbraw/zinc/35/44/62/571354462.db2.gz ASYAEDJERVGEER-WSDLNYQXSA-N 1 2 368.506 3.910 50 30 FHEALO CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[N@H+](C)C3)c(O)c1 ZINC000004045768 571354463 /nfs/dbraw/zinc/35/44/63/571354463.db2.gz ASYAEDJERVGEER-WSDLNYQXSA-N 1 2 368.506 3.910 50 30 FHEALO N#CC1(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCCC1 ZINC000008157135 571359590 /nfs/dbraw/zinc/35/95/90/571359590.db2.gz LZZHGKXVYTTWAM-FQEVSTJZSA-N 1 2 365.502 3.648 50 30 FHEALO N#CC1(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCCC1 ZINC000008157135 571359591 /nfs/dbraw/zinc/35/95/91/571359591.db2.gz LZZHGKXVYTTWAM-FQEVSTJZSA-N 1 2 365.502 3.648 50 30 FHEALO N#Cc1ccccc1-c1ccccc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000008279241 571360209 /nfs/dbraw/zinc/36/02/09/571360209.db2.gz YXONNHMESXPWNP-UHFFFAOYSA-N 1 2 352.397 3.803 50 30 FHEALO CCN(CC)c1ccc(C=[NH+]NC(=S)Nc2ccc(C)cc2)c(O)c1 ZINC000252463019 938831422 /nfs/dbraw/zinc/83/14/22/938831422.db2.gz YFKJWWZHAJLYHA-UHFFFAOYSA-N 1 2 356.495 3.867 50 30 FHEALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000581807439 940608463 /nfs/dbraw/zinc/60/84/63/940608463.db2.gz JFLKKZFPDZETPF-HXUWFJFHSA-N 1 2 356.429 3.817 50 30 FHEALO COc1cccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCCC3)C2=O)c1 ZINC000009530637 210231201 /nfs/dbraw/zinc/23/12/01/210231201.db2.gz MEDDYUWKQFVNNZ-UNOMPAQXSA-N 1 2 351.402 3.613 50 30 FHEALO C=CCn1c(C)nn(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1=S ZINC000040155470 210044248 /nfs/dbraw/zinc/04/42/48/210044248.db2.gz UVQQNMDDOMHZDE-UHFFFAOYSA-N 1 2 359.543 3.843 50 30 FHEALO C=CCn1c(C)nn(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)c1=S ZINC000040155470 210044253 /nfs/dbraw/zinc/04/42/53/210044253.db2.gz UVQQNMDDOMHZDE-UHFFFAOYSA-N 1 2 359.543 3.843 50 30 FHEALO C[C@H](NC(=S)NC1CCCCC1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000013878781 220098385 /nfs/dbraw/zinc/09/83/85/220098385.db2.gz NMOMXTJEULRUFE-YOEHRIQHSA-N 1 2 367.584 3.718 50 30 FHEALO Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1[nH]cc[nH+]1)C1=C(CCCC1=O)N2 ZINC000018197025 211193995 /nfs/dbraw/zinc/19/39/95/211193995.db2.gz XCSKQFQZPJEAKX-LJQANCHMSA-N 1 2 359.433 3.777 50 30 FHEALO COc1ccccc1N1CC[NH+](CC#C[C@@]2(C)CCCC(C)(C)O2)CC1 ZINC000019933967 132373802 /nfs/dbraw/zinc/37/38/02/132373802.db2.gz FSPAZPKCGQNDDV-JOCHJYFZSA-N 1 2 356.510 3.558 50 30 FHEALO CCN1CCCc2cc(/C=[NH+]/NC(=S)Nc3ccccc3OC)ccc21 ZINC000003036802 132384658 /nfs/dbraw/zinc/38/46/58/132384658.db2.gz HVCMQPHOFZCPMR-KGENOOAVSA-N 1 2 368.506 3.788 50 30 FHEALO CCOc1cc(C=NN2CC[NH+](Cc3ccccc3Cl)CC2)ccc1O ZINC000238899574 520691705 /nfs/dbraw/zinc/69/17/05/520691705.db2.gz GSMSHLLKVKVLLZ-UHFFFAOYSA-N 1 2 373.884 3.596 50 30 FHEALO COC(=O)c1ccc(NC(=[NH+]c2ccccc2)n2sc(C)cc2=N)cc1 ZINC000020344119 521940804 /nfs/dbraw/zinc/94/08/04/521940804.db2.gz OCPYKEIZQZHRBR-UHFFFAOYSA-N 1 2 366.446 3.772 50 30 FHEALO CO/N=C(/C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 ZINC000020389765 522738206 /nfs/dbraw/zinc/73/82/06/522738206.db2.gz KWDYYFNITLLAEM-QOCHGBHMSA-N 1 2 361.848 3.652 50 30 FHEALO [NH2+]=C(NOC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccncc1 ZINC000004184134 526808918 /nfs/dbraw/zinc/80/89/18/526808918.db2.gz UXQHSUZYYFUKGN-UHFFFAOYSA-N 1 2 368.396 3.774 50 30 FHEALO N#C[C@@H]1CCCN(Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C1 ZINC000216179764 568110138 /nfs/dbraw/zinc/11/01/38/568110138.db2.gz FBVBAICQHOLROQ-INIZCTEOSA-N 1 2 358.873 3.741 50 30 FHEALO O=C1CCCC2=C1C1(CCCCC1)[NH+]=C(Nc1nc3ccccc3o1)N2 ZINC000006492394 570647768 /nfs/dbraw/zinc/64/77/68/570647768.db2.gz AZBGHUMVHJKFOO-UHFFFAOYSA-N 1 2 350.422 3.909 50 30 FHEALO CC/N=C1/S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C(=O)N1CC ZINC000101636162 570821678 /nfs/dbraw/zinc/82/16/78/570821678.db2.gz RHJGSCJXSISQBL-RABLAQOOSA-N 1 2 368.506 3.855 50 30 FHEALO CCCCc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000046056497 570922921 /nfs/dbraw/zinc/92/29/21/570922921.db2.gz YOWKOIQECXKSGG-UHFFFAOYSA-N 1 2 354.523 3.675 50 30 FHEALO N#Cc1c(F)cccc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000040024909 571068953 /nfs/dbraw/zinc/06/89/53/571068953.db2.gz IUPWONWJUMKCLF-UHFFFAOYSA-N 1 2 359.832 3.552 50 30 FHEALO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000012816261 571115717 /nfs/dbraw/zinc/11/57/17/571115717.db2.gz HOAOSOGVVPMHDS-UHFFFAOYSA-N 1 2 365.355 3.857 50 30 FHEALO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000012816261 571115720 /nfs/dbraw/zinc/11/57/20/571115720.db2.gz HOAOSOGVVPMHDS-UHFFFAOYSA-N 1 2 365.355 3.857 50 30 FHEALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000007878541 571290475 /nfs/dbraw/zinc/29/04/75/571290475.db2.gz UCOPQYLKQMXIMT-NSHDSACASA-N 1 2 357.504 3.728 50 30 FHEALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000007878541 571290476 /nfs/dbraw/zinc/29/04/76/571290476.db2.gz 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C=CCn1c2ccccc2[nH+]c1NCc1cc(OC)c(OC)c(OC)c1 ZINC000006160493 210107996 /nfs/dbraw/zinc/10/79/96/210107996.db2.gz SQDBZHWPQQSBOO-UHFFFAOYSA-N 1 2 353.422 3.860 50 30 FHEALO C=C(C[C@@H](C[NH+]1CCOCC1)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000020791608 211295765 /nfs/dbraw/zinc/29/57/65/211295765.db2.gz RDQKZBUUAHHHIL-NRFANRHFSA-N 1 2 363.457 3.647 50 30 FHEALO CCOC(=O)c1c(/N=C/c2cc(C)ccc2O)sc2c1CC[N@H+](C)C2 ZINC000002267304 210389112 /nfs/dbraw/zinc/38/91/12/210389112.db2.gz JYALPUJRYLTSNO-KEBDBYFISA-N 1 2 358.463 3.677 50 30 FHEALO CCOC(=O)c1c(/N=C/c2cc(C)ccc2O)sc2c1CC[N@@H+](C)C2 ZINC000002267304 210389114 /nfs/dbraw/zinc/38/91/14/210389114.db2.gz JYALPUJRYLTSNO-KEBDBYFISA-N 1 2 358.463 3.677 50 30 FHEALO CC(=C1C(=O)c2ccccc2C1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000002207440 210383494 /nfs/dbraw/zinc/38/34/94/210383494.db2.gz YMYJGJWXEKRWHJ-JXMROGBWSA-N 1 2 372.468 3.671 50 30 FHEALO N#Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000095081275 132206577 /nfs/dbraw/zinc/20/65/77/132206577.db2.gz VYNWSHLQKKESMT-UHFFFAOYSA-N 1 2 356.267 3.643 50 30 FHEALO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2c(C)csc2n1 ZINC000023653282 518780298 /nfs/dbraw/zinc/78/02/98/518780298.db2.gz ZCADQBPBHFQIJL-UHFFFAOYSA-N 1 2 365.911 3.968 50 30 FHEALO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2c(C)csc2n1 ZINC000023653282 518780304 /nfs/dbraw/zinc/78/03/04/518780304.db2.gz ZCADQBPBHFQIJL-UHFFFAOYSA-N 1 2 365.911 3.968 50 30 FHEALO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nonc2C)c(OCC=C)c1 ZINC000055341381 519034221 /nfs/dbraw/zinc/03/42/21/519034221.db2.gz ATHUMBJOJZGNIF-GOSISDBHSA-N 1 2 355.438 3.845 50 30 FHEALO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nonc2C)c(OCC=C)c1 ZINC000055341381 519034227 /nfs/dbraw/zinc/03/42/27/519034227.db2.gz ATHUMBJOJZGNIF-GOSISDBHSA-N 1 2 355.438 3.845 50 30 FHEALO C=CCc1cc(C[N@H+](C)Cc2nc(-c3ccncc3)no2)ccc1OCC ZINC000055211264 571058048 /nfs/dbraw/zinc/05/80/48/571058048.db2.gz BWERPNXDYHIBAL-UHFFFAOYSA-N 1 2 364.449 3.891 50 30 FHEALO C=CCc1cc(C[N@@H+](C)Cc2nc(-c3ccncc3)no2)ccc1OCC ZINC000055211264 571058049 /nfs/dbraw/zinc/05/80/49/571058049.db2.gz BWERPNXDYHIBAL-UHFFFAOYSA-N 1 2 364.449 3.891 50 30 FHEALO Cn1cc[nH+]c1[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000009367243 571106753 /nfs/dbraw/zinc/10/67/53/571106753.db2.gz ZBMFAYWGSQVLTM-QGZVFWFLSA-N 1 2 351.341 3.541 50 30 FHEALO C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000000795587 571123170 /nfs/dbraw/zinc/12/31/70/571123170.db2.gz MJMOHJSPVSETBC-UHFFFAOYSA-N 1 2 364.493 3.882 50 30 aggregator FHEALO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3c(F)cccc3Cl)cn2)n1 ZINC000058370837 571131668 /nfs/dbraw/zinc/13/16/68/571131668.db2.gz PFKXXGIURSODOF-UHFFFAOYSA-N 1 2 373.819 3.514 50 30 FHEALO CCN1CCCc2cc(/C=[NH+]\NC(=S)Nc3cccc(F)c3)ccc21 ZINC000033096892 571155291 /nfs/dbraw/zinc/15/52/91/571155291.db2.gz BTKTYIBUGYMUKN-BKUYFWCQSA-N 1 2 356.470 3.919 50 30 FHEALO CC(=O)[C@@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)C[N@H+](C)CC2 ZINC000075286228 571160061 /nfs/dbraw/zinc/16/00/61/571160061.db2.gz DULHHTRBFKITNV-GFCCVEGCSA-N 1 2 357.504 3.739 50 30 FHEALO CC(=O)[C@@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)C[N@@H+](C)CC2 ZINC000075286228 571160062 /nfs/dbraw/zinc/16/00/62/571160062.db2.gz DULHHTRBFKITNV-GFCCVEGCSA-N 1 2 357.504 3.739 50 30 FHEALO C=CCOc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2)cc1OC ZINC000030643195 571347095 /nfs/dbraw/zinc/34/70/95/571347095.db2.gz KXPJSEWUPMSFIW-NRFANRHFSA-N 1 2 363.461 3.873 50 30 FHEALO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC=C(c3ccccc3)CC1)CCC2 ZINC000003323624 571347395 /nfs/dbraw/zinc/34/73/95/571347395.db2.gz IMRGKRQZYMYEHL-UHFFFAOYSA-N 1 2 363.486 3.836 50 30 FHEALO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC=C(c3ccccc3)CC1)CCC2 ZINC000003323624 571347396 /nfs/dbraw/zinc/34/73/96/571347396.db2.gz IMRGKRQZYMYEHL-UHFFFAOYSA-N 1 2 363.486 3.836 50 30 FHEALO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)sc2c1CCC2 ZINC000007990014 571358283 /nfs/dbraw/zinc/35/82/83/571358283.db2.gz OWKKXNBSNPMPJV-CQSZACIVSA-N 1 2 357.504 3.946 50 30 FHEALO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)sc2c1CCC2 ZINC000007990014 571358284 /nfs/dbraw/zinc/35/82/84/571358284.db2.gz OWKKXNBSNPMPJV-CQSZACIVSA-N 1 2 357.504 3.946 50 30 FHEALO C[C@H]1CCC[N@H+](Cc2c3c(ccc2O)C(=O)/C(=C/c2cccnc2)O3)C1 ZINC000020517934 210237444 /nfs/dbraw/zinc/23/74/44/210237444.db2.gz SXNUIQMUHDXGEA-VAODSVERSA-N 1 2 350.418 3.635 50 30 FHEALO C[C@H]1CCC[N@@H+](Cc2c3c(ccc2O)C(=O)/C(=C/c2cccnc2)O3)C1 ZINC000020517934 210237450 /nfs/dbraw/zinc/23/74/50/210237450.db2.gz SXNUIQMUHDXGEA-VAODSVERSA-N 1 2 350.418 3.635 50 30 FHEALO Cc1cc(O)c(C[NH+]2CCCCC2)c2c1C(=O)/C(=C/c1ccncc1)O2 ZINC000020591630 210235059 /nfs/dbraw/zinc/23/50/59/210235059.db2.gz VSZJSQRZCJZECU-PDGQHHTCSA-N 1 2 350.418 3.698 50 30 FHEALO C=CC[N@H+](Cc1cccnc1)Cc1cccc(-c2nc(C)c(F)c(=O)[nH]2)c1 ZINC000023478499 210159253 /nfs/dbraw/zinc/15/92/53/210159253.db2.gz CRIZAUSTMPWQOT-UHFFFAOYSA-N 1 2 364.424 3.880 50 30 FHEALO C=CC[N@@H+](Cc1cccnc1)Cc1cccc(-c2nc(C)c(F)c(=O)[nH]2)c1 ZINC000023478499 210159254 /nfs/dbraw/zinc/15/92/54/210159254.db2.gz CRIZAUSTMPWQOT-UHFFFAOYSA-N 1 2 364.424 3.880 50 30 FHEALO N#Cc1ccc(O)c(-n2cc[nH+]c2-c2ccc(Oc3ncccn3)cc2)c1 ZINC000067724449 221276516 /nfs/dbraw/zinc/27/65/16/221276516.db2.gz QWLFYNLJXNLDLD-UHFFFAOYSA-N 1 2 355.357 3.699 50 30 FHEALO CCCCc1[nH]cc(-c2cc(-c3ccc(O)c(OC)c3)nc(N)c2C#N)[nH+]1 ZINC000067921064 221305629 /nfs/dbraw/zinc/30/56/29/221305629.db2.gz WHCDAZVTAPYBEJ-UHFFFAOYSA-N 1 2 363.421 3.649 50 30 FHEALO COc1ccc(C2(C/[NH+]=C/c3ccc(O)cc3)CCOCC2)cc1OC ZINC000018122361 523866672 /nfs/dbraw/zinc/86/66/72/523866672.db2.gz UUTRDSKWQOIDLJ-HYARGMPZSA-N 1 2 355.434 3.577 50 30 FHEALO N#C[C@H]1CCCN(Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C1 ZINC000216179722 568110146 /nfs/dbraw/zinc/11/01/46/568110146.db2.gz FBVBAICQHOLROQ-MRXNPFEDSA-N 1 2 358.873 3.741 50 30 FHEALO COc1ccc(Cl)cc1C[NH+]1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000006059860 571115748 /nfs/dbraw/zinc/11/57/48/571115748.db2.gz GYEUGNGUGSIFHW-UHFFFAOYSA-N 1 2 370.884 3.554 50 30 FHEALO CC(C)[NH+]=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccs1 ZINC000075126055 571156374 /nfs/dbraw/zinc/15/63/74/571156374.db2.gz XJEUADZLKOFKOS-KRWDZBQOSA-N 1 2 355.507 3.856 50 30 FHEALO Cc1ccc([C@H](CNc2oc(C(C)(C)C)nc2C#N)[NH+]2CCOCC2)cc1 ZINC000027793565 571321445 /nfs/dbraw/zinc/32/14/45/571321445.db2.gz HTLIACAXGNCSQG-SFHVURJKSA-N 1 2 368.481 3.638 50 30 FHEALO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000008170424 571359637 /nfs/dbraw/zinc/35/96/37/571359637.db2.gz LVCQGNSNWLRHMT-UHFFFAOYSA-N 1 2 372.266 3.700 50 30 FHEALO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000008170424 571359638 /nfs/dbraw/zinc/35/96/38/571359638.db2.gz LVCQGNSNWLRHMT-UHFFFAOYSA-N 1 2 372.266 3.700 50 30 FHEALO C[C@H]1C[C@H](C)C[NH+](Cc2c3c(ccc2O)C(=O)/C(=C/c2cccnc2)O3)C1 ZINC000020518060 210236461 /nfs/dbraw/zinc/23/64/61/210236461.db2.gz CFUSTWQYPPFZOG-XALRFSPBSA-N 1 2 364.445 3.881 50 30 FHEALO C=CCN1c2ccccc2[C@@]2([NH2+]CCc3c4cc(Cl)ccc4[nH]c32)C1=O ZINC000020064226 210235174 /nfs/dbraw/zinc/23/51/74/210235174.db2.gz RBJBABBSMWIVDR-NRFANRHFSA-N 1 2 363.848 3.743 50 30 FHEALO C=CCn1c(=O)c2sccc2nc1SCc1cn2ccccc2[nH+]1 ZINC000012531876 210142432 /nfs/dbraw/zinc/14/24/32/210142432.db2.gz SQMQYISIQNQDTE-UHFFFAOYSA-N 1 2 354.460 3.584 50 30 FHEALO C=CCn1nc(C)c([C@@H]2c3[nH]cnc3CC[N@H+]2Cc2sccc2C)c1C ZINC000072463833 210064793 /nfs/dbraw/zinc/06/47/93/210064793.db2.gz JYZOHPZXUGYAFZ-HXUWFJFHSA-N 1 2 367.522 3.927 50 30 FHEALO C=CCn1nc(C)c([C@@H]2c3[nH]cnc3CC[N@@H+]2Cc2sccc2C)c1C ZINC000072463833 210064797 /nfs/dbraw/zinc/06/47/97/210064797.db2.gz JYZOHPZXUGYAFZ-HXUWFJFHSA-N 1 2 367.522 3.927 50 30 FHEALO C=CCOc1ccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1 ZINC000071260599 210063548 /nfs/dbraw/zinc/06/35/48/210063548.db2.gz QPCYTHZPAUPCBO-UHFFFAOYSA-N 1 2 369.494 3.794 50 30 FHEALO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000023220067 211379428 /nfs/dbraw/zinc/37/94/28/211379428.db2.gz BKZHKCXQEHTTQR-DYVFJYSZSA-N 1 2 355.404 3.580 50 30 FHEALO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000023220067 211379436 /nfs/dbraw/zinc/37/94/36/211379436.db2.gz BKZHKCXQEHTTQR-DYVFJYSZSA-N 1 2 355.404 3.580 50 30 FHEALO COc1cc[nH+]c(Cn2ccc(-c3cccc(-c4ncccc4C#N)c3)n2)c1 ZINC000019147634 211203180 /nfs/dbraw/zinc/20/31/80/211203180.db2.gz IUZMPPPCXCFYTJ-UHFFFAOYSA-N 1 2 367.412 3.936 50 30 FHEALO COc1cccc(/C=N/N2CC[NH+](Cc3ccccc3Cl)CC2)c1OC ZINC000016677831 211166560 /nfs/dbraw/zinc/16/65/60/211166560.db2.gz DGRXTLONKAMYOY-HYARGMPZSA-N 1 2 373.884 3.509 50 30 FHEALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000014122480 211075601 /nfs/dbraw/zinc/07/56/01/211075601.db2.gz FNVAGAKKVPJVGA-CYBMUJFWSA-N 1 2 350.447 3.799 50 30 FHEALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000014122480 211075602 /nfs/dbraw/zinc/07/56/02/211075602.db2.gz FNVAGAKKVPJVGA-CYBMUJFWSA-N 1 2 350.447 3.799 50 30 FHEALO CCSc1ccc(C(=[NH2+])NOC(=O)c2cccc(C(F)(F)F)c2)cn1 ZINC000004390295 521734622 /nfs/dbraw/zinc/73/46/22/521734622.db2.gz IZNYMNPQABSTMF-UHFFFAOYSA-N 1 2 369.368 3.690 50 30 FHEALO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)N1c2ccccc2C[C@@H]1C ZINC000078696013 525878016 /nfs/dbraw/zinc/87/80/16/525878016.db2.gz ZHXCHAWYIKNMKX-KBPBESRZSA-N 1 2 371.868 3.538 50 30 FHEALO [NH2+]=C(NOC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000004888917 526808847 /nfs/dbraw/zinc/80/88/47/526808847.db2.gz XOEKOHNUXFBSSZ-UHFFFAOYSA-N 1 2 373.623 3.889 50 30 FHEALO C=CCn1nc(C)c(CN2CCc3[nH+]c[nH]c3[C@@H]2c2cccc(F)c2)c1C ZINC000067473381 570999235 /nfs/dbraw/zinc/99/92/35/570999235.db2.gz BNFPGPDZPTVHNL-NRFANRHFSA-N 1 2 365.456 3.696 50 30 FHEALO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(=O)Nc1sccc1C#N ZINC000008919105 571073263 /nfs/dbraw/zinc/07/32/63/571073263.db2.gz GURQDUSIZDVAHK-NSHDSACASA-N 1 2 363.870 3.741 50 30 FHEALO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1sccc1C#N ZINC000008919105 571073266 /nfs/dbraw/zinc/07/32/66/571073266.db2.gz GURQDUSIZDVAHK-NSHDSACASA-N 1 2 363.870 3.741 50 30 FHEALO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1N1CCCCC1 ZINC000012554074 571180457 /nfs/dbraw/zinc/18/04/57/571180457.db2.gz SZHLLFUIQUEPJT-UHFFFAOYSA-N 1 2 362.477 3.619 50 30 FHEALO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1N1CCCCC1 ZINC000012554074 571180458 /nfs/dbraw/zinc/18/04/58/571180458.db2.gz SZHLLFUIQUEPJT-UHFFFAOYSA-N 1 2 362.477 3.619 50 30 FHEALO Cc1cc(-c2cccc(C(=O)NCc3[nH+]ccn3C(C)C)c2)nc(C)c1C#N ZINC000584893038 571202033 /nfs/dbraw/zinc/20/20/33/571202033.db2.gz HELWIESNSWUMFZ-UHFFFAOYSA-N 1 2 373.460 3.945 50 30 FHEALO N#C[C@H]1CCCN(C(=O)c2cccc(-c3ccc(Cn4cc[nH+]c4)cc3)c2)C1 ZINC000426698501 571235629 /nfs/dbraw/zinc/23/56/29/571235629.db2.gz WCVBUUOYCUMNRM-LJQANCHMSA-N 1 2 370.456 3.974 50 30 FHEALO C[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)Cc3cccc(F)c3)sc2C1 ZINC000007843507 571290283 /nfs/dbraw/zinc/29/02/83/571290283.db2.gz CBENMFNZWVOQGJ-CYBMUJFWSA-N 1 2 371.481 3.954 50 30 FHEALO C[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)Cc3cccc(F)c3)sc2C1 ZINC000007843507 571290285 /nfs/dbraw/zinc/29/02/85/571290285.db2.gz CBENMFNZWVOQGJ-CYBMUJFWSA-N 1 2 371.481 3.954 50 30 FHEALO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000095953657 571332771 /nfs/dbraw/zinc/33/27/71/571332771.db2.gz RQDUQHNVEVFOEC-LBPRGKRZSA-N 1 2 359.417 3.904 50 30 FHEALO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000095953657 571332772 /nfs/dbraw/zinc/33/27/72/571332772.db2.gz RQDUQHNVEVFOEC-LBPRGKRZSA-N 1 2 359.417 3.904 50 30 FHEALO C[NH+](C)Cc1c2c(ccc1O)C(=O)/C(=C/c1ccccc1Br)O2 ZINC000020518297 210237369 /nfs/dbraw/zinc/23/73/69/210237369.db2.gz DRURZKUHKFYNRJ-SXGWCWSVSA-N 1 2 374.234 3.833 50 30 FHEALO C=CCN1c2ccccc2[C@]2([NH2+]CCc3c4cc(Cl)ccc4[nH]c32)C1=O ZINC000020064225 210236494 /nfs/dbraw/zinc/23/64/94/210236494.db2.gz RBJBABBSMWIVDR-OAQYLSRUSA-N 1 2 363.848 3.743 50 30 FHEALO C=CCn1c(SCc2cn3cccc(C)c3[nH+]2)nc2sccc2c1=O ZINC000009157069 210137126 /nfs/dbraw/zinc/13/71/26/210137126.db2.gz HPEONCDSQWWMMH-UHFFFAOYSA-N 1 2 368.487 3.892 50 30 FHEALO C=CCn1c(SCc2cn3cccc(C)c3[nH+]2)nnc1-c1ccncc1 ZINC000006105725 210108163 /nfs/dbraw/zinc/10/81/63/210108163.db2.gz KYHQXNTUOYKDJC-UHFFFAOYSA-N 1 2 362.462 3.775 50 30 FHEALO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000023994877 211398488 /nfs/dbraw/zinc/39/84/88/211398488.db2.gz VXDPERHDQAVONE-UHFFFAOYSA-N 1 2 354.841 3.561 50 30 FHEALO C[N@@H+]1CCc2c(C#N)c(SCc3ccccc3)nc(N3CCCC3)c2C1 ZINC000020649711 211291927 /nfs/dbraw/zinc/29/19/27/211291927.db2.gz SKQLFVJTMFGRDS-UHFFFAOYSA-N 1 2 364.518 3.834 50 30 FHEALO C[N@H+]1CCc2c(C#N)c(SCc3ccccc3)nc(N3CCCC3)c2C1 ZINC000020649711 211291932 /nfs/dbraw/zinc/29/19/32/211291932.db2.gz SKQLFVJTMFGRDS-UHFFFAOYSA-N 1 2 364.518 3.834 50 30 FHEALO CCC(=O)NC1=NN2C(=[NH+]C(c3ccccc3)=C[C@@H]2c2ccc(F)cc2)N1 ZINC000002257613 210387268 /nfs/dbraw/zinc/38/72/68/210387268.db2.gz QGQLJVJCWYLQET-QGZVFWFLSA-N 1 2 363.396 3.820 50 30 FHEALO C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2c(ccc(O)c2C[NH+](C)C)C1=O ZINC000020612415 220336561 /nfs/dbraw/zinc/33/65/61/220336561.db2.gz FKXAMXHPWXNDIH-GHOUAXAESA-N 1 2 363.413 3.777 50 30 FHEALO N#Cc1cccc(-c2[nH+]ccn2[C@@H](CCn2cncn2)c2ccccc2)c1 ZINC000071749872 221360650 /nfs/dbraw/zinc/36/06/50/221360650.db2.gz GEUFQCDQPMIETP-FQEVSTJZSA-N 1 2 354.417 3.693 50 30 FHEALO C(=NN=c1cc(N2CCCCC2)[nH]c(N2CCCCC2)[nH+]1)c1ccccc1 ZINC000004551769 132823618 /nfs/dbraw/zinc/82/36/18/132823618.db2.gz MUSSEZOMLNLIJA-OQKWZONESA-N 1 2 364.497 3.903 50 30 FHEALO CCN(CC)c1ccc(/C=[NH+]/NC(=S)Nc2cccc(C)c2)c(O)c1 ZINC000000671795 263141339 /nfs/dbraw/zinc/14/13/39/263141339.db2.gz MMOUCNYLFWCROS-DEDYPNTBSA-N 1 2 356.495 3.867 50 30 FHEALO C=CCn1ncc(C[N@@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)c1C ZINC000067872496 519292190 /nfs/dbraw/zinc/29/21/90/519292190.db2.gz DZSUNOBCLPJCJM-UHFFFAOYSA-N 1 2 370.403 3.869 50 30 FHEALO C=CCn1ncc(C[N@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)c1C ZINC000067872496 519292197 /nfs/dbraw/zinc/29/21/97/519292197.db2.gz DZSUNOBCLPJCJM-UHFFFAOYSA-N 1 2 370.403 3.869 50 30 FHEALO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)N1c2ccccc2C[C@H]1C ZINC000078695998 525883200 /nfs/dbraw/zinc/88/32/00/525883200.db2.gz ZHXCHAWYIKNMKX-ZIAGYGMSSA-N 1 2 371.868 3.538 50 30 FHEALO CCOC(=O)c1c(C)c(C(C)=[NH+]Nc2ccc([N+](=O)[O-])cc2)sc1N ZINC000004964967 570614790 /nfs/dbraw/zinc/61/47/90/570614790.db2.gz JGENTHMBZKDVST-ZDLGFXPLSA-N 1 2 362.411 3.560 50 30 FHEALO N#Cc1c(NC(=O)C[N@@H+]2CCc3ccccc3C2)sc2c1CCCCC2 ZINC000035500519 571177630 /nfs/dbraw/zinc/17/76/30/571177630.db2.gz JOZMYFRHXYUQDU-UHFFFAOYSA-N 1 2 365.502 3.885 50 30 FHEALO N#Cc1c(NC(=O)C[N@H+]2CCc3ccccc3C2)sc2c1CCCCC2 ZINC000035500519 571177632 /nfs/dbraw/zinc/17/76/32/571177632.db2.gz JOZMYFRHXYUQDU-UHFFFAOYSA-N 1 2 365.502 3.885 50 30 FHEALO Cc1ccc2c(c1)[nH+]c(CCNc1nc(C(F)(F)F)ccc1C#N)n2C ZINC000170631901 571269641 /nfs/dbraw/zinc/26/96/41/571269641.db2.gz HWBYSYTUTDRNIS-UHFFFAOYSA-N 1 2 359.355 3.822 50 30 FHEALO CC1CC[NH+](CN2c3ccccc3C(=Nc3ccc(F)cc3)C2=O)CC1 ZINC000252594089 571284324 /nfs/dbraw/zinc/28/43/24/571284324.db2.gz BPILFSKGZLGKSU-UHFFFAOYSA-N 1 2 351.425 3.983 50 30 FHEALO C[N@@H+]1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1 ZINC000013116108 571323084 /nfs/dbraw/zinc/32/30/84/571323084.db2.gz BGTVSCUIMOUGOF-UHFFFAOYSA-N 1 2 361.493 3.544 50 30 FHEALO C[N@H+]1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1 ZINC000013116108 571323085 /nfs/dbraw/zinc/32/30/85/571323085.db2.gz BGTVSCUIMOUGOF-UHFFFAOYSA-N 1 2 361.493 3.544 50 30 FHEALO CC[NH+](CC)Cc1c2c(ccc1O)C(=O)/C(=C/c1ccc(OC)cc1)O2 ZINC000020624349 210237385 /nfs/dbraw/zinc/23/73/85/210237385.db2.gz HJASBTALPVQHNR-UNOMPAQXSA-N 1 2 353.418 3.859 50 30 FHEALO C[C@@H]1C[C@@H](C)C[NH+](Cc2c3c(ccc2O)C(=O)/C(=C/c2cccnc2)O3)C1 ZINC000020518056 210236137 /nfs/dbraw/zinc/23/61/37/210236137.db2.gz CFUSTWQYPPFZOG-VIZFDEMNSA-N 1 2 364.445 3.881 50 30 FHEALO Cc1cc(O)c(C[NH+]2CCC(C)CC2)c2c1C(=O)/C(=C/c1ccncc1)O2 ZINC000020572878 210236170 /nfs/dbraw/zinc/23/61/70/210236170.db2.gz ZXNXXSUWBGGOEH-UNOMPAQXSA-N 1 2 364.445 3.944 50 30 FHEALO O=C1c2ccc(O)c(C[NH+]3CCCC3)c2O/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000002346778 210226170 /nfs/dbraw/zinc/22/61/70/210226170.db2.gz FZJSFDVRFIWFHY-WQRHYEAKSA-N 1 2 366.373 3.512 50 30 FHEALO C[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccnc2nc(/[NH+]=C/N(C)C)nn21 ZINC000017995374 211188420 /nfs/dbraw/zinc/18/84/20/211188420.db2.gz XXJZXWHJOWHGRD-CYGNYLSHSA-N 1 2 366.469 3.783 50 30 FHEALO COc1c2c(c(C(=O)/C=C/c3ccc(C)cc3)c3c1C[N@H+](C)CC3)OCO2 ZINC000020112908 220313405 /nfs/dbraw/zinc/31/34/05/220313405.db2.gz GJNZTNYOBNYMLN-CMDGGOBGSA-N 1 2 365.429 3.616 50 30 FHEALO COc1c2c(c(C(=O)/C=C/c3ccc(C)cc3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000020112908 220313409 /nfs/dbraw/zinc/31/34/09/220313409.db2.gz GJNZTNYOBNYMLN-CMDGGOBGSA-N 1 2 365.429 3.616 50 30 FHEALO CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000096843746 521358597 /nfs/dbraw/zinc/35/85/97/521358597.db2.gz BALGXXCUYMWEHD-YFHOEESVSA-N 1 2 363.417 3.890 50 30 FHEALO COc1ccc(C(=O)ONC(=[NH2+])COc2ccc(Cl)cc2Cl)cc1 ZINC000004389749 523767610 /nfs/dbraw/zinc/76/76/10/523767610.db2.gz UFIVOGRDWFRRJN-UHFFFAOYSA-N 1 2 369.204 3.510 50 30 FHEALO COc1ccccc1C(=O)ONC(=[NH2+])COc1ccc(Cl)cc1Cl ZINC000004389750 524359840 /nfs/dbraw/zinc/35/98/40/524359840.db2.gz WHZJBTBZKNZVNO-UHFFFAOYSA-N 1 2 369.204 3.510 50 30 FHEALO COc1cccc(C=NN2CC[NH+](Cc3ccccc3Cl)CC2)c1OC ZINC000244594118 525863348 /nfs/dbraw/zinc/86/33/48/525863348.db2.gz DGRXTLONKAMYOY-UHFFFAOYSA-N 1 2 373.884 3.509 50 30 FHEALO C[C@@]12CC[C@H]3[C@@H](C[C@@H](C[NH+]4CC4)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000261491960 525914548 /nfs/dbraw/zinc/91/45/48/525914548.db2.gz MUIGAJJYQBDLDV-DUXKNNISSA-N 1 2 357.538 3.811 50 30 FHEALO [NH2+]=C(NOC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccnc1 ZINC000004845576 526808875 /nfs/dbraw/zinc/80/88/75/526808875.db2.gz IQUAJUZDTAYLIC-UHFFFAOYSA-N 1 2 368.396 3.774 50 30 FHEALO CSc1nc(N)c2c([nH+]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 ZINC000004331376 570703222 /nfs/dbraw/zinc/70/32/22/570703222.db2.gz QVRFIRMWDIHYJU-AWEZNQCLSA-N 1 2 366.490 3.981 50 30 FHEALO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccccc2Br)CC1 ZINC000032913816 570853424 /nfs/dbraw/zinc/85/34/24/570853424.db2.gz XSUVMYOWUORQPB-UHFFFAOYSA-N 1 2 374.257 3.782 50 30 FHEALO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S ZINC000047996165 570932411 /nfs/dbraw/zinc/93/24/11/570932411.db2.gz UKELKYFJAZYTCC-OAHLLOKOSA-N 1 2 369.494 3.887 50 30 FHEALO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S ZINC000047996165 570932414 /nfs/dbraw/zinc/93/24/14/570932414.db2.gz UKELKYFJAZYTCC-OAHLLOKOSA-N 1 2 369.494 3.887 50 30 FHEALO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(=O)Nc1sccc1C#N ZINC000008919109 571073269 /nfs/dbraw/zinc/07/32/69/571073269.db2.gz GURQDUSIZDVAHK-LLVKDONJSA-N 1 2 363.870 3.741 50 30 FHEALO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)C(=O)Nc1sccc1C#N ZINC000008919109 571073272 /nfs/dbraw/zinc/07/32/72/571073272.db2.gz GURQDUSIZDVAHK-LLVKDONJSA-N 1 2 363.870 3.741 50 30 FHEALO COc1ccccc1NC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000036385234 571080214 /nfs/dbraw/zinc/08/02/14/571080214.db2.gz PWXLUYKVAVBBHX-JXMROGBWSA-N 1 2 367.518 3.944 50 30 FHEALO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2c2nc3ccccc3s2)CCCC1 ZINC000058160461 571126371 /nfs/dbraw/zinc/12/63/71/571126371.db2.gz ZLDCCYMONAZXGT-INIZCTEOSA-N 1 2 368.506 3.776 50 30 FHEALO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2c2nc3ccccc3s2)CCCC1 ZINC000058160461 571126372 /nfs/dbraw/zinc/12/63/72/571126372.db2.gz ZLDCCYMONAZXGT-INIZCTEOSA-N 1 2 368.506 3.776 50 30 FHEALO COc1ccc(/N=C2/c3ccccc3N(C[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000033360510 571237522 /nfs/dbraw/zinc/23/75/22/571237522.db2.gz NZMLRIIZDIXPHY-LNVKXUELSA-N 1 2 363.461 3.852 50 30 FHEALO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000007910063 571293155 /nfs/dbraw/zinc/29/31/55/571293155.db2.gz LKQDJQKCXOTQGI-QGZVFWFLSA-N 1 2 362.458 3.944 50 30 FHEALO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000007910063 571293156 /nfs/dbraw/zinc/29/31/56/571293156.db2.gz LKQDJQKCXOTQGI-QGZVFWFLSA-N 1 2 362.458 3.944 50 30 FHEALO Cc1cc(O)c(C[NH+]2CCC(C)CC2)c2c1C(=O)/C(=C/c1cccnc1)O2 ZINC000020589848 210236726 /nfs/dbraw/zinc/23/67/26/210236726.db2.gz ORDXGXKFAFMEQL-ODLFYWEKSA-N 1 2 364.445 3.944 50 30 FHEALO C=CCn1cc([C@@H]2c3[nH]c[nH+]c3CCN2Cc2ccc(C)c(F)c2C)cn1 ZINC000072409756 210066827 /nfs/dbraw/zinc/06/68/27/210066827.db2.gz RVIJNZBHMUXYDJ-OAQYLSRUSA-N 1 2 365.456 3.696 50 30 FHEALO C=CCn1nc(C)c([C@H]2c3[nH]c[nH+]c3CCN2Cc2cc(C)c(C)o2)c1C ZINC000072426108 210066394 /nfs/dbraw/zinc/06/63/94/210066394.db2.gz FZWJLZOCHSGVHT-NRFANRHFSA-N 1 2 365.481 3.767 50 30 FHEALO C=CCOc1c(Cl)cc(C[NH+]2CCC(NC(C)=O)CC2)cc1Cl ZINC000055343861 210067683 /nfs/dbraw/zinc/06/76/83/210067683.db2.gz FFQLKTBODGRYPQ-UHFFFAOYSA-N 1 2 357.281 3.659 50 30 FHEALO Cc1cc(C#N)ccc1-c1cccc(C(=O)N(C)CCCc2[nH+]ccn2C)c1 ZINC000299765311 210014652 /nfs/dbraw/zinc/01/46/52/210014652.db2.gz MAJMSSFJIOWHDJ-UHFFFAOYSA-N 1 2 372.472 3.972 50 30 FHEALO CC(C)CCNc1c(C#N)c2c(c3nncn31)C[N@H+](Cc1ccccc1)CC2 ZINC000020677452 211293558 /nfs/dbraw/zinc/29/35/58/211293558.db2.gz RVIWNJJUEGWGCF-UHFFFAOYSA-N 1 2 374.492 3.617 50 30 FHEALO CC(C)CCNc1c(C#N)c2c(c3nncn31)C[N@@H+](Cc1ccccc1)CC2 ZINC000020677452 211293561 /nfs/dbraw/zinc/29/35/61/211293561.db2.gz RVIWNJJUEGWGCF-UHFFFAOYSA-N 1 2 374.492 3.617 50 30 FHEALO C#CC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@H]1CCc2ccccc21 ZINC000052845825 221041036 /nfs/dbraw/zinc/04/10/36/221041036.db2.gz ACNUNXDGGOLADL-SFHVURJKSA-N 1 2 369.424 3.792 50 30 FHEALO C#CC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@H]1CCc2ccccc21 ZINC000052845825 221041040 /nfs/dbraw/zinc/04/10/40/221041040.db2.gz ACNUNXDGGOLADL-SFHVURJKSA-N 1 2 369.424 3.792 50 30 FHEALO C/C(=N/N1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000019771848 263376506 /nfs/dbraw/zinc/37/65/06/263376506.db2.gz GKDCYDHTHCBRLI-QNGOZBTKSA-N 1 2 372.856 3.790 50 30 FHEALO C(=NN=c1cc(N2CCCCC2)[nH]c(N2CCCCC2)[nH+]1)c1cccs1 ZINC000252320855 518377774 /nfs/dbraw/zinc/37/77/74/518377774.db2.gz YCMQQLRBCTVJNP-UHFFFAOYSA-N 1 2 370.526 3.965 50 30 FHEALO C=CC[N@H+](Cc1cccs1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000023804915 518791116 /nfs/dbraw/zinc/79/11/16/518791116.db2.gz OZYMFSWWCJXOOV-UHFFFAOYSA-N 1 2 357.504 3.723 50 30 FHEALO C=CC[N@@H+](Cc1cccs1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000023804915 518791122 /nfs/dbraw/zinc/79/11/22/518791122.db2.gz OZYMFSWWCJXOOV-UHFFFAOYSA-N 1 2 357.504 3.723 50 30 FHEALO CCOc1cccc(/C=N/N2CC[NH+](Cc3ccccc3Cl)CC2)c1O ZINC000019790547 521314117 /nfs/dbraw/zinc/31/41/17/521314117.db2.gz DFLGMQSIIWEGOA-HYARGMPZSA-N 1 2 373.884 3.596 50 30 FHEALO COc1cccc([NH+]=C(Nc2cccc(C#N)c2)n2sc(C)cc2=N)c1 ZINC000020344049 526135565 /nfs/dbraw/zinc/13/55/65/526135565.db2.gz NFCOQPLITOXOCL-UHFFFAOYSA-N 1 2 363.446 3.866 50 30 FHEALO N#Cc1ccccc1C(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082125720 526735187 /nfs/dbraw/zinc/73/51/87/526735187.db2.gz IDWIJUIEXGYFMP-FQEVSTJZSA-N 1 2 370.456 3.823 50 30 FHEALO NC(=[NH+]OCc1noc(-c2ccsc2)n1)c1ccc(C(F)(F)F)cc1 ZINC000004389657 526812366 /nfs/dbraw/zinc/81/23/66/526812366.db2.gz OAEDZFKIVXSWLC-UHFFFAOYSA-N 1 2 368.340 3.654 50 30 FHEALO Cc1ccc(NC(NC(=O)c2cccc(F)c2)=[NH+]Cc2ccncc2)cc1 ZINC000045939907 570915101 /nfs/dbraw/zinc/91/51/01/570915101.db2.gz VLIYOSBCNNIFHP-UHFFFAOYSA-N 1 2 362.408 3.736 50 30 FHEALO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1ccco1 ZINC000009513847 571111648 /nfs/dbraw/zinc/11/16/48/571111648.db2.gz BGDYMKDNNGLDQF-CYBMUJFWSA-N 1 2 357.479 3.941 50 30 FHEALO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1ccco1 ZINC000009513847 571111650 /nfs/dbraw/zinc/11/16/50/571111650.db2.gz BGDYMKDNNGLDQF-CYBMUJFWSA-N 1 2 357.479 3.941 50 30 FHEALO C[NH+](C)/C=C\c1oc2ccc(Oc3ncccc3C#N)cc2c1[N+](=O)[O-] ZINC000005843203 571166601 /nfs/dbraw/zinc/16/66/01/571166601.db2.gz NSNYXHAAJNJHEF-CLFYSBASSA-N 1 2 350.334 3.932 50 30 FHEALO C[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CCc4ccccc4C3)sc2C1 ZINC000034858980 571168116 /nfs/dbraw/zinc/16/81/16/571168116.db2.gz RUHMPNYDJGCFLC-CQSZACIVSA-N 1 2 365.502 3.741 50 30 FHEALO C[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CCc4ccccc4C3)sc2C1 ZINC000034858980 571168119 /nfs/dbraw/zinc/16/81/19/571168119.db2.gz RUHMPNYDJGCFLC-CQSZACIVSA-N 1 2 365.502 3.741 50 30 FHEALO C=CCOc1ccc(/C=C\C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000098001835 571217703 /nfs/dbraw/zinc/21/77/03/571217703.db2.gz XKFJWUKPIRAUHO-QOYCNBSOSA-N 1 2 373.456 3.904 50 30 FHEALO N#CCCN(C(=O)C[N@H+]1CC=C(c2ccccc2)CC1)c1ccccc1F ZINC000007456905 571265856 /nfs/dbraw/zinc/26/58/56/571265856.db2.gz OJIINRDKANEAHL-UHFFFAOYSA-N 1 2 363.436 3.862 50 30 FHEALO N#CCCN(C(=O)C[N@@H+]1CC=C(c2ccccc2)CC1)c1ccccc1F ZINC000007456905 571265857 /nfs/dbraw/zinc/26/58/57/571265857.db2.gz OJIINRDKANEAHL-UHFFFAOYSA-N 1 2 363.436 3.862 50 30 FHEALO C[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)Cc3cccc(F)c3)sc2C1 ZINC000007843510 571290279 /nfs/dbraw/zinc/29/02/79/571290279.db2.gz CBENMFNZWVOQGJ-ZDUSSCGKSA-N 1 2 371.481 3.954 50 30 FHEALO C[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)Cc3cccc(F)c3)sc2C1 ZINC000007843510 571290280 /nfs/dbraw/zinc/29/02/80/571290280.db2.gz CBENMFNZWVOQGJ-ZDUSSCGKSA-N 1 2 371.481 3.954 50 30 FHEALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-c2ncccc2C#N)cc1 ZINC000426411551 571322013 /nfs/dbraw/zinc/32/20/13/571322013.db2.gz UFLNMBZJDBGNRC-IBGZPJMESA-N 1 2 373.460 3.661 50 30 FHEALO CO/N=C(/C[NH+]1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 ZINC000020388073 571329151 /nfs/dbraw/zinc/32/91/51/571329151.db2.gz BMBJJYIQCUJEBO-PYCFMQQDSA-N 1 2 361.848 3.652 50 30 FHEALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000095523505 571331306 /nfs/dbraw/zinc/33/13/06/571331306.db2.gz XCRHMMUGPIQUJG-QGZVFWFLSA-N 1 2 351.454 3.966 50 30 FHEALO CSc1ccc(C[N@H+](C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000002649796 571340104 /nfs/dbraw/zinc/34/01/04/571340104.db2.gz XLHXYJFYLTZLPQ-UHFFFAOYSA-N 1 2 371.531 3.901 50 30 FHEALO CSc1ccc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000002649796 571340105 /nfs/dbraw/zinc/34/01/05/571340105.db2.gz XLHXYJFYLTZLPQ-UHFFFAOYSA-N 1 2 371.531 3.901 50 30 FHEALO COc1cccc(/C=C2\Oc3c(c(C)cc(O)c3C[NH+]3CCCC3)C2=O)c1 ZINC000020589732 210236916 /nfs/dbraw/zinc/23/69/16/210236916.db2.gz LNHLYLGXBHGTBQ-UNOMPAQXSA-N 1 2 365.429 3.921 50 30 FHEALO C=CC[N@@H+](CN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H]1CCc2ccccc21 ZINC000032916158 210168404 /nfs/dbraw/zinc/16/84/04/210168404.db2.gz CMNKNZZWUIIBGC-COFLGROHSA-N 1 2 367.493 3.620 50 30 FHEALO C=CC[N@H+](CN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H]1CCc2ccccc21 ZINC000032916158 210168408 /nfs/dbraw/zinc/16/84/08/210168408.db2.gz CMNKNZZWUIIBGC-COFLGROHSA-N 1 2 367.493 3.620 50 30 FHEALO C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1O)C(=O)/C(=C/c1ccncc1)O2 ZINC000020504064 211283832 /nfs/dbraw/zinc/28/38/32/211283832.db2.gz YEKOVBDKFFIYOR-YQNUULROSA-N 1 2 350.418 3.778 50 30 FHEALO C[C@H]1CCCC[N@H+]1Cc1c2c(ccc1O)C(=O)/C(=C/c1ccncc1)O2 ZINC000020504064 211283833 /nfs/dbraw/zinc/28/38/33/211283833.db2.gz YEKOVBDKFFIYOR-YQNUULROSA-N 1 2 350.418 3.778 50 30 FHEALO CCOc1ccc(/C=N/N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000013661032 211045561 /nfs/dbraw/zinc/04/55/61/211045561.db2.gz LZRGNRVXZAUVJR-PXLXIMEGSA-N 1 2 357.885 3.890 50 30 FHEALO Cc1cccc(NC(=O)c2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c1C#N ZINC000067696258 221273397 /nfs/dbraw/zinc/27/33/97/221273397.db2.gz BMGBPGZLZNHEPH-CALCHBBNSA-N 1 2 363.461 3.728 50 30 FHEALO Cc1cccc(NC(=O)c2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c1C#N ZINC000067696258 221273403 /nfs/dbraw/zinc/27/34/03/221273403.db2.gz BMGBPGZLZNHEPH-CALCHBBNSA-N 1 2 363.461 3.728 50 30 FHEALO COc1nccc(NCc2ccc[nH+]c2N2CCc3ccccc3C2)c1C#N ZINC000067691310 136137436 /nfs/dbraw/zinc/13/74/36/136137436.db2.gz SOFIVFKLEJSAQZ-UHFFFAOYSA-N 1 2 371.444 3.532 50 30 FHEALO CCN(CC)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(C)cc2)c(O)c1 ZINC000000671788 263141147 /nfs/dbraw/zinc/14/11/47/263141147.db2.gz YFKJWWZHAJLYHA-DEDYPNTBSA-N 1 2 356.495 3.867 50 30 FHEALO C=CCc1ccc(OCC[NH+]2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000020482398 519138300 /nfs/dbraw/zinc/13/83/00/519138300.db2.gz SSNILAIRJJCZKF-UHFFFAOYSA-N 1 2 366.505 3.620 50 30 FHEALO CCN(CC)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(OC)cc2)cc1 ZINC000002506354 520883568 /nfs/dbraw/zinc/88/35/68/520883568.db2.gz QKXWJKSXSPJCIA-XSFVSMFZSA-N 1 2 356.495 3.862 50 30 FHEALO CCOc1cccc(C=NN2CC[NH+](Cc3ccccc3Cl)CC2)c1O ZINC000244594039 521327800 /nfs/dbraw/zinc/32/78/00/521327800.db2.gz DFLGMQSIIWEGOA-UHFFFAOYSA-N 1 2 373.884 3.596 50 30 FHEALO CCn1cc[nH+]c1Cn1ccc(-c2cccc(-c3ncccc3C#N)c2)n1 ZINC000020868814 523547239 /nfs/dbraw/zinc/54/72/39/523547239.db2.gz HDOPZXLYCXFHEC-UHFFFAOYSA-N 1 2 354.417 3.748 50 30 FHEALO Cc1ccc(C(=O)ONC(=[NH2+])CSc2ccc(C(F)(F)F)cn2)cc1 ZINC000004365255 570587382 /nfs/dbraw/zinc/58/73/82/570587382.db2.gz DPPZPKITBQWAET-UHFFFAOYSA-N 1 2 369.368 3.630 50 30 FHEALO OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2CCc2c[nH]c[nH+]2)s1 ZINC000065387127 571073835 /nfs/dbraw/zinc/07/38/35/571073835.db2.gz YCUGFGSWZFBQCE-UHFFFAOYSA-N 1 2 374.469 3.588 50 30 FHEALO OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2CCc2c[nH+]c[nH]2)s1 ZINC000065387127 571073837 /nfs/dbraw/zinc/07/38/37/571073837.db2.gz YCUGFGSWZFBQCE-UHFFFAOYSA-N 1 2 374.469 3.588 50 30 FHEALO COC(=O)c1c(N=Cc2cc(Cl)ccc2O)sc2c1CC[N@H+](C)C2 ZINC000252600520 571284569 /nfs/dbraw/zinc/28/45/69/571284569.db2.gz DSCCMMKJKLMOFB-UHFFFAOYSA-N 1 2 364.854 3.632 50 30 FHEALO COC(=O)c1c(N=Cc2cc(Cl)ccc2O)sc2c1CC[N@@H+](C)C2 ZINC000252600520 571284570 /nfs/dbraw/zinc/28/45/70/571284570.db2.gz DSCCMMKJKLMOFB-UHFFFAOYSA-N 1 2 364.854 3.632 50 30 FHEALO Cc1ccc([C@H](CNc2oc(CC(C)C)nc2C#N)[NH+]2CCOCC2)cc1 ZINC000027793536 571321368 /nfs/dbraw/zinc/32/13/68/571321368.db2.gz DKDAGSLYZJMDNC-IBGZPJMESA-N 1 2 368.481 3.539 50 30 FHEALO C=CCc1ccc(OC[C@H](O)Cn2c(C)[nH+]c3ccccc32)c(OC)c1 ZINC000012603581 220012819 /nfs/dbraw/zinc/01/28/19/220012819.db2.gz DTPKBGCAUZKDNS-QGZVFWFLSA-N 1 2 352.434 3.522 50 30 FHEALO C[C@H](c1ccc(F)cc1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000012898421 220040237 /nfs/dbraw/zinc/04/02/37/220040237.db2.gz OZAFSOLWGPAMLX-CQSZACIVSA-N 1 2 366.396 3.829 50 30 FHEALO C[NH+](C)Cc1c2c(ccc1O)C(=O)/C(=C/c1ccc(Br)cc1)O2 ZINC000020533356 220331918 /nfs/dbraw/zinc/33/19/18/220331918.db2.gz KAJKZBLKVVOJQQ-SXGWCWSVSA-N 1 2 374.234 3.833 50 30 FHEALO C=CCN1c2ccccc2[N@H+](CC(=O)c2ccc(Br)cc2)C1=N ZINC000020806300 220341414 /nfs/dbraw/zinc/34/14/14/220341414.db2.gz IBJMSIFERLNANW-UHFFFAOYSA-N 1 2 370.250 3.754 50 30 FHEALO C=CCN1c2ccccc2[N@@H+](CC(=O)c2ccc(Br)cc2)C1=N ZINC000020806300 220341417 /nfs/dbraw/zinc/34/14/17/220341417.db2.gz IBJMSIFERLNANW-UHFFFAOYSA-N 1 2 370.250 3.754 50 30 FHEALO C=CCc1ccc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c(OC)c1 ZINC000021559671 220360661 /nfs/dbraw/zinc/36/06/61/220360661.db2.gz OZTNFDXKQPJUST-GOSISDBHSA-N 1 2 366.461 3.830 50 30 FHEALO C/C(=N/N1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000022107508 220376447 /nfs/dbraw/zinc/37/64/47/220376447.db2.gz QNFHCWXWQLNHQX-QNGOZBTKSA-N 1 2 372.856 3.790 50 30 FHEALO C[NH+](C)/C=C/c1oc2ccc(Oc3ncccc3C#N)cc2c1[N+](=O)[O-] ZINC000049581336 221025618 /nfs/dbraw/zinc/02/56/18/221025618.db2.gz NSNYXHAAJNJHEF-VQHVLOKHSA-N 1 2 350.334 3.932 50 30 FHEALO CC[C@@H](C)[N@H+](CC#Cc1ccccc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000063848942 221144190 /nfs/dbraw/zinc/14/41/90/221144190.db2.gz YBGLBNSGBQJUNZ-GOSISDBHSA-N 1 2 355.503 3.742 50 30 FHEALO CC[C@@H](C)[N@@H+](CC#Cc1ccccc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000063848942 221144192 /nfs/dbraw/zinc/14/41/92/221144192.db2.gz YBGLBNSGBQJUNZ-GOSISDBHSA-N 1 2 355.503 3.742 50 30 FHEALO Cc1noc(C)c1-c1cc(-c2ccc(-n3cc[nH+]c3)cc2)nc(N)c1C#N ZINC000067655130 221266581 /nfs/dbraw/zinc/26/65/81/221266581.db2.gz BKXSZALHGSXGCG-UHFFFAOYSA-N 1 2 356.389 3.660 50 30 FHEALO N#Cc1c(C[NH+]2CCN(c3ccccc3Cl)CC2)cn2ccccc12 ZINC000012990428 132865121 /nfs/dbraw/zinc/86/51/21/132865121.db2.gz AXFVRUGIMQKMEH-UHFFFAOYSA-N 1 2 350.853 3.787 50 30 FHEALO N#Cc1ccc(/C=C\C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000096130223 222035059 /nfs/dbraw/zinc/03/50/59/222035059.db2.gz MVMUSRGPXDEUSC-BENRWUELSA-N 1 2 360.461 3.663 50 30 FHEALO COc1cc(/C(C)=N\N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1O ZINC000020082038 521923159 /nfs/dbraw/zinc/92/31/59/521923159.db2.gz QPBOKCMORSSMHU-JCMHNJIXSA-N 1 2 373.884 3.596 50 30 FHEALO CN(C)c1ccc(C=[NH+]Nc2cncc([C@H](C#N)c3ccccc3)n2)cc1 ZINC000004117003 522134687 /nfs/dbraw/zinc/13/46/87/522134687.db2.gz DUQKHLJZEIEDSL-NZYROCMPSA-N 1 2 356.433 3.644 50 30 FHEALO C[NH+]=C(Nc1cccc(Cl)c1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000018082071 523672339 /nfs/dbraw/zinc/67/23/39/523672339.db2.gz QRSWRPSCUKYKAC-OAHLLOKOSA-N 1 2 373.865 3.612 50 30 FHEALO COc1ccc(Cn2c3ccccc3nc2C[N@@H+]2CCC[C@@H](C=O)C2)cc1 ZINC000261490912 524258066 /nfs/dbraw/zinc/25/80/66/524258066.db2.gz OVRFIUXNLOUMKZ-GOSISDBHSA-N 1 2 363.461 3.504 50 30 FHEALO COc1ccc(Cn2c3ccccc3nc2C[N@H+]2CCC[C@@H](C=O)C2)cc1 ZINC000261490912 524258070 /nfs/dbraw/zinc/25/80/70/524258070.db2.gz OVRFIUXNLOUMKZ-GOSISDBHSA-N 1 2 363.461 3.504 50 30 FHEALO N#Cc1cccc(NC(=O)CSc2[nH+][nH]cc3c4ccccc4nc2-3)c1 ZINC000032761090 570793009 /nfs/dbraw/zinc/79/30/09/570793009.db2.gz GZKGEDRRPSYSCR-UHFFFAOYSA-N 1 2 359.414 3.714 50 30 FHEALO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000032832139 570818847 /nfs/dbraw/zinc/81/88/47/570818847.db2.gz UWTAFYJQTNKADF-SJCJKPOMSA-N 1 2 356.297 3.868 50 30 FHEALO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000032832139 570818850 /nfs/dbraw/zinc/81/88/50/570818850.db2.gz UWTAFYJQTNKADF-SJCJKPOMSA-N 1 2 356.297 3.868 50 30 FHEALO N#Cc1cccc(S(=O)(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)c1 ZINC000075106941 571155348 /nfs/dbraw/zinc/15/53/48/571155348.db2.gz NDOZKZFHVICCIH-UHFFFAOYSA-N 1 2 352.419 3.503 50 30 FHEALO N#Cc1nc(-c2ccccc2)oc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000027745074 571321149 /nfs/dbraw/zinc/32/11/49/571321149.db2.gz KESDTTSPTFILSB-HXUWFJFHSA-N 1 2 374.444 3.699 50 30 FHEALO O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329510343 943979554 /nfs/dbraw/zinc/97/95/54/943979554.db2.gz MQPGHUDIGUHPAF-HIHZZFLASA-N 1 2 365.481 3.925 50 30 FHEALO CC[C@@]1(C)Cc2ccccc2/C(=[NH+]\c2c(C)n(C)n(-c3ccccc3)c2=O)N1 ZINC000001212307 219389995 /nfs/dbraw/zinc/38/99/95/219389995.db2.gz HIIJOKALACZHSK-QHCPKHFHSA-N 1 2 374.488 3.877 50 30 FHEALO C=CCn1c2ccccc2n(C[C@@H](O)COc2ccc(Cl)c(C)c2)c1=[NH2+] ZINC000019943253 220306912 /nfs/dbraw/zinc/30/69/12/220306912.db2.gz ZIKPVSNOPRUNTD-OAHLLOKOSA-N 1 2 371.868 3.510 50 30 FHEALO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3s2)CCCC1 ZINC000058160463 221100825 /nfs/dbraw/zinc/10/08/25/221100825.db2.gz ZLDCCYMONAZXGT-MRXNPFEDSA-N 1 2 368.506 3.776 50 30 FHEALO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2c2nc3ccccc3s2)CCCC1 ZINC000058160463 221100826 /nfs/dbraw/zinc/10/08/26/221100826.db2.gz ZLDCCYMONAZXGT-MRXNPFEDSA-N 1 2 368.506 3.776 50 30 FHEALO C[C@H]1CN(c2ccccc2C#N)C(=O)C[N@@H+]1Cc1ccc2ccccc2c1 ZINC000082167222 132197608 /nfs/dbraw/zinc/19/76/08/132197608.db2.gz DYBDMBWBENLYDP-KRWDZBQOSA-N 1 2 355.441 3.949 50 30 FHEALO C[C@H]1CN(c2ccccc2C#N)C(=O)C[N@H+]1Cc1ccc2ccccc2c1 ZINC000082167222 132197610 /nfs/dbraw/zinc/19/76/10/132197610.db2.gz DYBDMBWBENLYDP-KRWDZBQOSA-N 1 2 355.441 3.949 50 30 FHEALO CC1=NN(c2ccccc2)C(=O)C1=NNc1ccc([NH+]2CCCCC2)cc1 ZINC000100209994 132232412 /nfs/dbraw/zinc/23/24/12/132232412.db2.gz DSYREIBSXSWHSJ-BSYVCWPDSA-N 1 2 361.449 3.868 50 30 FHEALO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000008163293 518781209 /nfs/dbraw/zinc/78/12/09/518781209.db2.gz SYGNXUYDXKPYOD-UHFFFAOYSA-N 1 2 359.882 3.906 50 30 FHEALO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000008163293 518781218 /nfs/dbraw/zinc/78/12/18/518781218.db2.gz SYGNXUYDXKPYOD-UHFFFAOYSA-N 1 2 359.882 3.906 50 30 FHEALO CCOc1cc(/C=N/N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1O ZINC000019849093 520640366 /nfs/dbraw/zinc/64/03/66/520640366.db2.gz BYYITHJVOACMMM-HYARGMPZSA-N 1 2 373.884 3.596 50 30 FHEALO C[NH+]=C(Nc1cccc(Cl)c1)S[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000100567271 523669421 /nfs/dbraw/zinc/66/94/21/523669421.db2.gz QRSWRPSCUKYKAC-HNNXBMFYSA-N 1 2 373.865 3.612 50 30 FHEALO COc1ccc(OC)c(C=NN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000238882054 524811187 /nfs/dbraw/zinc/81/11/87/524811187.db2.gz CDRUTTYUDIMIMX-UHFFFAOYSA-N 1 2 373.884 3.509 50 30 FHEALO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000008748882 571059327 /nfs/dbraw/zinc/05/93/27/571059327.db2.gz UCPZNBWNOIJCEK-IBGZPJMESA-N 1 2 369.852 3.996 50 30 FHEALO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000008748882 571059331 /nfs/dbraw/zinc/05/93/31/571059331.db2.gz UCPZNBWNOIJCEK-IBGZPJMESA-N 1 2 369.852 3.996 50 30 FHEALO C/N=C1/S/C(=C\c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)C(=O)N1C ZINC000004675193 571157515 /nfs/dbraw/zinc/15/75/15/571157515.db2.gz GWPYTXZHYRTKIW-UMWYYCSLSA-N 1 2 368.506 3.692 50 30 FHEALO Cc1ccc(NC(=[NH2+])Nc2nc(C(F)(F)F)cc(C(F)(F)F)n2)cc1 ZINC000013572278 220076242 /nfs/dbraw/zinc/07/62/42/220076242.db2.gz FAHJKGAQQVLUNQ-UHFFFAOYSA-N 1 2 363.265 3.881 50 30 FHEALO C[C@H](NC(=S)NC1CCCCC1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000013686094 220085958 /nfs/dbraw/zinc/08/59/58/220085958.db2.gz FAUWWTDVZLACIY-LPHOPBHVSA-N 1 2 361.555 3.657 50 30 FHEALO C=CCn1c2ccccc2n(C[C@H](O)c2cccc(Br)c2)c1=[NH2+] ZINC000020057758 220310641 /nfs/dbraw/zinc/31/06/41/220310641.db2.gz LFGMNLBOVWHKLJ-KRWDZBQOSA-N 1 2 372.266 3.604 50 30 FHEALO C/C(=N\N1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000020171699 220318594 /nfs/dbraw/zinc/31/85/94/220318594.db2.gz QNFHCWXWQLNHQX-RCCKNPSSSA-N 1 2 372.856 3.790 50 30 FHEALO O=C1c2ccc(O)c(C[NH+]3CCCCCC3)c2O/C1=C\c1ccncc1 ZINC000002218709 263145069 /nfs/dbraw/zinc/14/50/69/263145069.db2.gz UEGDZQIKUOMVAF-UYRXBGFRSA-N 1 2 350.418 3.779 50 30 FHEALO COc1ccc(/C=N/N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000019773096 263376009 /nfs/dbraw/zinc/37/60/09/263376009.db2.gz RUAAFVFLSWFFAC-HYARGMPZSA-N 1 2 373.884 3.509 50 30 FHEALO C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCC(C)C)CC1 ZINC000034906481 519267360 /nfs/dbraw/zinc/26/73/60/519267360.db2.gz KKEBFMUQHMAMRE-UHFFFAOYSA-N 1 2 354.498 3.601 50 30 FHEALO COc1cc(/C(C)=N/N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1O ZINC000020158463 521923316 /nfs/dbraw/zinc/92/33/16/521923316.db2.gz NZUFXICBKOAXQH-PXLXIMEGSA-N 1 2 373.884 3.596 50 30 FHEALO COc1ccc(NC(=S)N/[NH+]=C/c2ccc(N(C)C)cc2Cl)cc1 ZINC000001041723 570475433 /nfs/dbraw/zinc/47/54/33/570475433.db2.gz QJIHUMZRWKRTGU-YBFXNURJSA-N 1 2 362.886 3.735 50 30 FHEALO C/N=C1\S/C(=C/c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)C(=O)N1C ZINC000009264538 570693893 /nfs/dbraw/zinc/69/38/93/570693893.db2.gz GWPYTXZHYRTKIW-KDWIEBRMSA-N 1 2 368.506 3.692 50 30 FHEALO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccsc1)c1ccccc1F ZINC000046089286 570926329 /nfs/dbraw/zinc/92/63/29/570926329.db2.gz ANJUOSNLXDQQOV-KRWDZBQOSA-N 1 2 357.454 3.971 50 30 FHEALO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1ccsc1)c1ccccc1F ZINC000046089286 570926332 /nfs/dbraw/zinc/92/63/32/570926332.db2.gz ANJUOSNLXDQQOV-KRWDZBQOSA-N 1 2 357.454 3.971 50 30 FHEALO C[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CCc4ccccc4C3)sc2C1 ZINC000034858981 571168147 /nfs/dbraw/zinc/16/81/47/571168147.db2.gz RUHMPNYDJGCFLC-AWEZNQCLSA-N 1 2 365.502 3.741 50 30 FHEALO C[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CCc4ccccc4C3)sc2C1 ZINC000034858981 571168149 /nfs/dbraw/zinc/16/81/49/571168149.db2.gz RUHMPNYDJGCFLC-AWEZNQCLSA-N 1 2 365.502 3.741 50 30 FHEALO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000037197406 571265946 /nfs/dbraw/zinc/26/59/46/571265946.db2.gz WHDCPPVKWQVRHF-PWSUYJOCSA-N 1 2 359.779 3.813 50 30 FHEALO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000037197406 571265949 /nfs/dbraw/zinc/26/59/49/571265949.db2.gz WHDCPPVKWQVRHF-PWSUYJOCSA-N 1 2 359.779 3.813 50 30 FHEALO CN(C)c1ccc(C=[NH+]Nc2cncc([C@@H](C#N)c3ccccc3)n2)cc1 ZINC000252600767 571284564 /nfs/dbraw/zinc/28/45/64/571284564.db2.gz DUQKHLJZEIEDSL-IBGZPJMESA-N 1 2 356.433 3.644 50 30 FHEALO COc1ccc(C(C)=NN2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000252611576 571285760 /nfs/dbraw/zinc/28/57/60/571285760.db2.gz ILIKQSRJWVVDMW-UHFFFAOYSA-N 1 2 357.885 3.890 50 30 FHEALO N#Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000058413899 571351227 /nfs/dbraw/zinc/35/12/27/571351227.db2.gz MVMUSRGPXDEUSC-ZRDIBKRKSA-N 1 2 360.461 3.663 50 30 FHEALO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Br)s1 ZINC000008165467 571359676 /nfs/dbraw/zinc/35/96/76/571359676.db2.gz UYMPDMKRLRCSML-UHFFFAOYSA-N 1 2 370.297 3.514 50 30 FHEALO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Br)s1 ZINC000008165467 571359677 /nfs/dbraw/zinc/35/96/77/571359677.db2.gz UYMPDMKRLRCSML-UHFFFAOYSA-N 1 2 370.297 3.514 50 30 FHEALO C[C@H]1CCC[N@H+](CN2c3ccccc3/C(=N/c3cccc(F)c3)C2=O)C1 ZINC000016609101 220188381 /nfs/dbraw/zinc/18/83/81/220188381.db2.gz PCKFIEFIOXESBV-DCBSDEPNSA-N 1 2 351.425 3.983 50 30 FHEALO C[C@H]1CCC[N@@H+](CN2c3ccccc3/C(=N/c3cccc(F)c3)C2=O)C1 ZINC000016609101 220188385 /nfs/dbraw/zinc/18/83/85/220188385.db2.gz PCKFIEFIOXESBV-DCBSDEPNSA-N 1 2 351.425 3.983 50 30 FHEALO C=CCn1c2ccccc2n(C[C@@H](O)c2cccc(Br)c2)c1=[NH2+] ZINC000020057759 220309804 /nfs/dbraw/zinc/30/98/04/220309804.db2.gz LFGMNLBOVWHKLJ-QGZVFWFLSA-N 1 2 372.266 3.604 50 30 FHEALO COc1ccccc1/C=C1\Oc2c(ccc(O)c2C[NH+]2CCCC2)C1=O ZINC000020624283 220338128 /nfs/dbraw/zinc/33/81/28/220338128.db2.gz SENRZSWPAUUHJY-UNOMPAQXSA-N 1 2 351.402 3.613 50 30 FHEALO C=C(C)C[N@@H+](CC)Cc1cnc(S(=O)(=O)C(C)C)n1CCC(C)C ZINC000055118756 221060081 /nfs/dbraw/zinc/06/00/81/221060081.db2.gz FWHAXPLQDAFXBT-UHFFFAOYSA-N 1 2 355.548 3.509 50 30 FHEALO C=C(C)C[N@H+](CC)Cc1cnc(S(=O)(=O)C(C)C)n1CCC(C)C ZINC000055118756 221060083 /nfs/dbraw/zinc/06/00/83/221060083.db2.gz FWHAXPLQDAFXBT-UHFFFAOYSA-N 1 2 355.548 3.509 50 30 FHEALO CCN(CC)c1ccc(/C=C2\Oc3c(ccc(O)c3C[NH+](C)C)C2=O)cc1 ZINC000062957630 221140221 /nfs/dbraw/zinc/14/02/21/221140221.db2.gz SAPJAOKMGBIQDN-MOSHPQCFSA-N 1 2 366.461 3.916 50 30 FHEALO COc1ccc(F)c([C@H]2c3[nH]c[nH+]c3CCN2Cc2ccccc2C#N)c1 ZINC000067713121 221274886 /nfs/dbraw/zinc/27/48/86/221274886.db2.gz RRDJKUWJJGDLSD-NRFANRHFSA-N 1 2 362.408 3.577 50 30 FHEALO Cc1[nH]c[nH+]c1-c1cc(-c2ccc(N3CCCCC3)cc2)nc(N)c1C#N ZINC000071498038 136139417 /nfs/dbraw/zinc/13/94/17/136139417.db2.gz VVITTWZELORDGU-UHFFFAOYSA-N 1 2 358.449 3.891 50 30 FHEALO COc1cc(/C(C)=N\N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1O ZINC000020082975 521921447 /nfs/dbraw/zinc/92/14/47/521921447.db2.gz NZUFXICBKOAXQH-JCMHNJIXSA-N 1 2 373.884 3.596 50 30 FHEALO COc1cccc(NC(=[NH+]c2ccc(C#N)cc2)n2sc(C)cc2=N)c1 ZINC000020344072 526135975 /nfs/dbraw/zinc/13/59/75/526135975.db2.gz VYFZQIIOQDGQAI-UHFFFAOYSA-N 1 2 363.446 3.866 50 30 FHEALO Cc1cccnc1C[NH+]1CCN(Cc2ccc(-c3ccccc3C#N)o2)CC1 ZINC000072129524 570525862 /nfs/dbraw/zinc/52/58/62/570525862.db2.gz FQGDYZVGWKLMTJ-UHFFFAOYSA-N 1 2 372.472 3.840 50 30 FHEALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000007878539 571290482 /nfs/dbraw/zinc/29/04/82/571290482.db2.gz UCOPQYLKQMXIMT-LLVKDONJSA-N 1 2 357.504 3.728 50 30 FHEALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000007878539 571290483 /nfs/dbraw/zinc/29/04/83/571290483.db2.gz UCOPQYLKQMXIMT-LLVKDONJSA-N 1 2 357.504 3.728 50 30 FHEALO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000007910058 571293144 /nfs/dbraw/zinc/29/31/44/571293144.db2.gz LKQDJQKCXOTQGI-KRWDZBQOSA-N 1 2 362.458 3.944 50 30 FHEALO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000007910058 571293145 /nfs/dbraw/zinc/29/31/45/571293145.db2.gz LKQDJQKCXOTQGI-KRWDZBQOSA-N 1 2 362.458 3.944 50 30 FHEALO C=CC[NH+]1CCN(C(=O)c2ccc(-c3ccc(O)c(C)c3C)cc2)CC1 ZINC000584887945 571314142 /nfs/dbraw/zinc/31/41/42/571314142.db2.gz NVAKUHPNNLUAPX-UHFFFAOYSA-N 1 2 350.462 3.620 50 30 FHEALO N#Cc1ccccc1-c1ccc(CN2CCC[N@H+](Cc3cccnc3)CC2)o1 ZINC000216233068 571342227 /nfs/dbraw/zinc/34/22/27/571342227.db2.gz GNKXXRHSAGQYFF-UHFFFAOYSA-N 1 2 372.472 3.921 50 30 FHEALO N#Cc1ccccc1-c1ccc(CN2CCC[N@@H+](Cc3cccnc3)CC2)o1 ZINC000216233068 571342228 /nfs/dbraw/zinc/34/22/28/571342228.db2.gz GNKXXRHSAGQYFF-UHFFFAOYSA-N 1 2 372.472 3.921 50 30 FHEALO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000012898429 220040358 /nfs/dbraw/zinc/04/03/58/220040358.db2.gz OZAFSOLWGPAMLX-AWEZNQCLSA-N 1 2 366.396 3.829 50 30 FHEALO COc1ccc(/C=N/N2CC[NH+](Cc3ccccc3Cl)CC2)c(OC)c1 ZINC000016215494 220181312 /nfs/dbraw/zinc/18/13/12/220181312.db2.gz YVNKNGTUTNHGAQ-HYARGMPZSA-N 1 2 373.884 3.509 50 30 FHEALO COc1cc(/C(C)=N/N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1O ZINC000019791090 220297097 /nfs/dbraw/zinc/29/70/97/220297097.db2.gz QPBOKCMORSSMHU-PXLXIMEGSA-N 1 2 373.884 3.596 50 30 FHEALO N#Cc1cccc(-c2[nH+]ccn2[C@H](CCn2cncn2)c2ccccc2)c1 ZINC000071749871 221360965 /nfs/dbraw/zinc/36/09/65/221360965.db2.gz GEUFQCDQPMIETP-HXUWFJFHSA-N 1 2 354.417 3.693 50 30 FHEALO Cc1[nH]c2c(cccc2C[N@@H+]2CCN(c3ccc(C#N)cc3)C(=O)C2)c1C ZINC000082106550 132195004 /nfs/dbraw/zinc/19/50/04/132195004.db2.gz YBQMGVBEFMXRIS-UHFFFAOYSA-N 1 2 358.445 3.505 50 30 FHEALO Cc1[nH]c2c(cccc2C[N@H+]2CCN(c3ccc(C#N)cc3)C(=O)C2)c1C ZINC000082106550 132195006 /nfs/dbraw/zinc/19/50/06/132195006.db2.gz YBQMGVBEFMXRIS-UHFFFAOYSA-N 1 2 358.445 3.505 50 30 FHEALO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000008037790 519031922 /nfs/dbraw/zinc/03/19/22/519031922.db2.gz MCSHZTAGMQDSJV-UHFFFAOYSA-N 1 2 352.434 3.525 50 30 FHEALO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000008037790 519031931 /nfs/dbraw/zinc/03/19/31/519031931.db2.gz MCSHZTAGMQDSJV-UHFFFAOYSA-N 1 2 352.434 3.525 50 30 FHEALO Cc1cc(N)nc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)[nH+]1 ZINC000096129913 525044599 /nfs/dbraw/zinc/04/45/99/525044599.db2.gz TTWIKDAERWFCGT-GPLLRDDGSA-N 1 2 368.506 3.728 50 30 FHEALO COc1ccc(OC)c(/C=N/N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000012560969 570751008 /nfs/dbraw/zinc/75/10/08/570751008.db2.gz CDRUTTYUDIMIMX-HYARGMPZSA-N 1 2 373.884 3.509 50 30 FHEALO CCN(C(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000082071270 571164497 /nfs/dbraw/zinc/16/44/97/571164497.db2.gz LKFBPJQPQADXBK-OAHLLOKOSA-N 1 2 363.477 3.915 50 30 FHEALO CCN(C(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000082071270 571164499 /nfs/dbraw/zinc/16/44/99/571164499.db2.gz LKFBPJQPQADXBK-OAHLLOKOSA-N 1 2 363.477 3.915 50 30 FHEALO COc1cc2c(cc1OC)C(Nc1ccc(C(C)=O)cc1)=[NH+]C(C)(C)C2 ZINC000003902671 571171908 /nfs/dbraw/zinc/17/19/08/571171908.db2.gz KZZPVAZROBXJBU-UHFFFAOYSA-N 1 2 352.434 3.909 50 30 FHEALO COc1ccc(F)cc1CN1CCc2[nH+]c[nH]c2[C@@H]1c1cccc(C#N)c1 ZINC000072429317 571319151 /nfs/dbraw/zinc/31/91/51/571319151.db2.gz UOQGHBAWHMZWTM-NRFANRHFSA-N 1 2 362.408 3.577 50 30 FHEALO CCOC1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000095953656 571332824 /nfs/dbraw/zinc/33/28/24/571332824.db2.gz CADRJRSYPBXBGQ-OAHLLOKOSA-N 1 2 361.511 3.520 50 30 FHEALO O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329510346 943980184 /nfs/dbraw/zinc/98/01/84/943980184.db2.gz MQPGHUDIGUHPAF-IIFATDLDSA-N 1 2 365.481 3.925 50 30 FHEALO N#Cc1ccccc1S(=O)(=O)Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000012630263 220014236 /nfs/dbraw/zinc/01/42/36/220014236.db2.gz HYWGIIACLJVMFS-UHFFFAOYSA-N 1 2 363.442 3.786 50 30 FHEALO C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1O)C(=O)/C(=C/c1cccnc1)O2 ZINC000020533500 220330494 /nfs/dbraw/zinc/33/04/94/220330494.db2.gz VQPIQPNNLWOARI-AXLWCPOOSA-N 1 2 350.418 3.778 50 30 FHEALO C[C@@H]1CCCC[N@H+]1Cc1c2c(ccc1O)C(=O)/C(=C/c1cccnc1)O2 ZINC000020533500 220330498 /nfs/dbraw/zinc/33/04/98/220330498.db2.gz VQPIQPNNLWOARI-AXLWCPOOSA-N 1 2 350.418 3.778 50 30 FHEALO C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1O)C(=O)/C(=C/c1ccncc1)O2 ZINC000020504062 220330788 /nfs/dbraw/zinc/33/07/88/220330788.db2.gz YEKOVBDKFFIYOR-VCRXTVNUSA-N 1 2 350.418 3.778 50 30 FHEALO C[C@@H]1CCCC[N@H+]1Cc1c2c(ccc1O)C(=O)/C(=C/c1ccncc1)O2 ZINC000020504062 220330792 /nfs/dbraw/zinc/33/07/92/220330792.db2.gz YEKOVBDKFFIYOR-VCRXTVNUSA-N 1 2 350.418 3.778 50 30 FHEALO C=CCc1ccc(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c(OC)c1 ZINC000021559668 220360804 /nfs/dbraw/zinc/36/08/04/220360804.db2.gz OZTNFDXKQPJUST-SFHVURJKSA-N 1 2 366.461 3.830 50 30 FHEALO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000022432119 220387417 /nfs/dbraw/zinc/38/74/17/220387417.db2.gz FNPGWPWHZRSXGU-JOCHJYFZSA-N 1 2 374.488 3.537 50 30 FHEALO COc1ccc(C=NN2CC[NH+](Cc3ccccc3Cl)CC2)c(OC)c1 ZINC000244893091 523884066 /nfs/dbraw/zinc/88/40/66/523884066.db2.gz YVNKNGTUTNHGAQ-UHFFFAOYSA-N 1 2 373.884 3.509 50 30 FHEALO NC(=[NH+]OCc1ccc(F)cc1Cl)c1ccc(N2CCCCC2)nc1 ZINC000060212857 526812908 /nfs/dbraw/zinc/81/29/08/526812908.db2.gz XZYXVBIMXICKTG-UHFFFAOYSA-N 1 2 362.836 3.702 50 30 FHEALO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(CNC(C)=O)CC1 ZINC000050931065 535714827 /nfs/dbraw/zinc/71/48/27/535714827.db2.gz DKRQPKIOEMASOP-UHFFFAOYSA-N 1 2 355.438 3.604 50 30 FHEALO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000032832134 570818908 /nfs/dbraw/zinc/81/89/08/570818908.db2.gz UWTAFYJQTNKADF-PXAZEXFGSA-N 1 2 356.297 3.868 50 30 FHEALO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000032832134 570818910 /nfs/dbraw/zinc/81/89/10/570818910.db2.gz UWTAFYJQTNKADF-PXAZEXFGSA-N 1 2 356.297 3.868 50 30 FHEALO C#CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21 ZINC000047406003 570887447 /nfs/dbraw/zinc/88/74/47/570887447.db2.gz FQEQAMANRUGHQP-FQEVSTJZSA-N 1 2 364.401 3.584 50 30 FHEALO C#CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21 ZINC000047406003 570887452 /nfs/dbraw/zinc/88/74/52/570887452.db2.gz FQEQAMANRUGHQP-FQEVSTJZSA-N 1 2 364.401 3.584 50 30 FHEALO C=CCn1cc([C@H]2c3[nH]c[nH+]c3CCN2Cc2ccc(C)c(F)c2C)cn1 ZINC000072409755 571053765 /nfs/dbraw/zinc/05/37/65/571053765.db2.gz RVIJNZBHMUXYDJ-NRFANRHFSA-N 1 2 365.456 3.696 50 30 FHEALO CCN(C(=O)[C@H](C)[N@H+](C)CC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000082071272 571164540 /nfs/dbraw/zinc/16/45/40/571164540.db2.gz LKFBPJQPQADXBK-HNNXBMFYSA-N 1 2 363.477 3.915 50 30 FHEALO CCN(C(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000082071272 571164541 /nfs/dbraw/zinc/16/45/41/571164541.db2.gz LKFBPJQPQADXBK-HNNXBMFYSA-N 1 2 363.477 3.915 50 30 FHEALO N#Cc1nc(Cc2cccc3ccccc32)oc1NCCCn1cc[nH+]c1 ZINC000002345502 571318387 /nfs/dbraw/zinc/31/83/87/571318387.db2.gz JVWCJSXOEPZABB-UHFFFAOYSA-N 1 2 357.417 3.989 50 30 FHEALO COc1cc(Cl)cc(/C=N/c2sc3c(c2C#N)CC[N@@H+](C)C3)c1O ZINC000004150654 571356147 /nfs/dbraw/zinc/35/61/47/571356147.db2.gz ACVLKCDGBATCTR-DNTJNYDQSA-N 1 2 361.854 3.726 50 30 FHEALO COc1cc(Cl)cc(/C=N/c2sc3c(c2C#N)CC[N@H+](C)C3)c1O ZINC000004150654 571356148 /nfs/dbraw/zinc/35/61/48/571356148.db2.gz ACVLKCDGBATCTR-DNTJNYDQSA-N 1 2 361.854 3.726 50 30 FHEALO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)c1=S ZINC000012868640 220038206 /nfs/dbraw/zinc/03/82/06/220038206.db2.gz ZUNPLPVTAPKING-QGZVFWFLSA-N 1 2 374.510 3.720 50 30 FHEALO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)c1=S ZINC000012868640 220038210 /nfs/dbraw/zinc/03/82/10/220038210.db2.gz ZUNPLPVTAPKING-QGZVFWFLSA-N 1 2 374.510 3.720 50 30 FHEALO N#Cc1cccc(C(=O)N2CCC(Cn3cc[nH+]c3-c3ccccc3)CC2)c1 ZINC000062129198 221139545 /nfs/dbraw/zinc/13/95/45/221139545.db2.gz YNHNVDLNHOCLPJ-UHFFFAOYSA-N 1 2 370.456 3.974 50 30 FHEALO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(c3ncccc3F)CC2)o1 ZINC000065495657 221226587 /nfs/dbraw/zinc/22/65/87/221226587.db2.gz ATOJBWNSHQAZMP-UHFFFAOYSA-N 1 2 362.408 3.675 50 30 FHEALO C=CCn1cc(CN2CCc3[nH+]c[nH]c3[C@H]2c2cc3ccccc3o2)cn1 ZINC000067724092 221276759 /nfs/dbraw/zinc/27/67/59/221276759.db2.gz GEJIDPFBWPEIGM-OAQYLSRUSA-N 1 2 359.433 3.686 50 30 FHEALO C=CCOc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000019911700 519013683 /nfs/dbraw/zinc/01/36/83/519013683.db2.gz DOVPUTCHHCIOJE-GHRIWEEISA-N 1 2 358.463 3.731 50 30 FHEALO C=CCc1cccc(C=NN2CC[NH+](Cc3ccccc3Cl)CC2)c1O ZINC000238950665 519143737 /nfs/dbraw/zinc/14/37/37/519143737.db2.gz ZGJGIMVEDNFZET-UHFFFAOYSA-N 1 2 369.896 3.926 50 30 FHEALO C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000034906470 519267870 /nfs/dbraw/zinc/26/78/70/519267870.db2.gz SDKZVPFNBWFYRS-UHFFFAOYSA-N 1 2 374.488 3.755 50 30 FHEALO CCOc1ccc(NC(=[NH+]c2cccnc2)n2sc(C)cc2=N)cc1 ZINC000020176240 520857214 /nfs/dbraw/zinc/85/72/14/520857214.db2.gz NYEDOWARWJIKOW-UHFFFAOYSA-N 1 2 353.451 3.779 50 30 FHEALO CC[NH+]1CCN(c2ccc(C(=O)/C=C\c3cccc(O)c3)cc2F)CC1 ZINC000096765552 521697174 /nfs/dbraw/zinc/69/71/74/521697174.db2.gz PVMNAEMFIKRREE-TWGQIWQCSA-N 1 2 354.425 3.569 50 30 FHEALO NC(=[NH+]OCc1ccc(Cl)s1)c1ccc(N2CCCCC2)nc1 ZINC000058498603 526804433 /nfs/dbraw/zinc/80/44/33/526804433.db2.gz BCDIQXSENXYHBO-UHFFFAOYSA-N 1 2 350.875 3.624 50 30 FHEALO C[NH+](C)c1ccc(-n2cccc2/C=N/NC(=S)Nc2ccccc2)cc1 ZINC000004083515 570575133 /nfs/dbraw/zinc/57/51/33/570575133.db2.gz LPOAFDBZDOMCIL-RCCKNPSSSA-N 1 2 363.490 3.864 50 30 FHEALO C=CCn1c2ccccc2nc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccco1 ZINC000072427961 571053535 /nfs/dbraw/zinc/05/35/35/571053535.db2.gz FOZMAZHKBFVFDE-FQEVSTJZSA-N 1 2 359.433 3.686 50 30 FHEALO C=C(C)COc1ccccc1C[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000055283035 571058634 /nfs/dbraw/zinc/05/86/34/571058634.db2.gz ICYNGGAPAHIRBF-UHFFFAOYSA-N 1 2 350.422 3.719 50 30 FHEALO C=C(C)COc1ccccc1C[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000055283035 571058637 /nfs/dbraw/zinc/05/86/37/571058637.db2.gz ICYNGGAPAHIRBF-UHFFFAOYSA-N 1 2 350.422 3.719 50 30 FHEALO Cn1cc[nH+]c1[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000009467782 571110462 /nfs/dbraw/zinc/11/04/62/571110462.db2.gz LNCHTARQOIOCNE-QGZVFWFLSA-N 1 2 351.341 3.541 50 30 FHEALO Cc1ccc(-c2nc(CO[NH+]=C(N)Cc3ccccc3Cl)no2)cc1 ZINC000058404763 571132329 /nfs/dbraw/zinc/13/23/29/571132329.db2.gz WNLVWZMPWWUZMD-UHFFFAOYSA-N 1 2 356.813 3.730 50 30 FHEALO O=C1c2ccc(O)c(C[NH+]3CCCCCC3)c2O/C1=C\c1cccnc1 ZINC000006192094 571161082 /nfs/dbraw/zinc/16/10/82/571161082.db2.gz YSHIITUYRMCWGH-UNOMPAQXSA-N 1 2 350.418 3.779 50 30 FHEALO Cc1ccc([C@@H](CNc2oc(CC(C)C)nc2C#N)[NH+]2CCOCC2)cc1 ZINC000027793533 571321377 /nfs/dbraw/zinc/32/13/77/571321377.db2.gz DKDAGSLYZJMDNC-LJQANCHMSA-N 1 2 368.481 3.539 50 30 FHEALO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328958477 942229845 /nfs/dbraw/zinc/22/98/45/942229845.db2.gz OKCCFPAQIBJCPE-NOZJJQNGSA-N 1 2 352.221 3.843 50 30 FHEALO COc1ccc(OC)c(/C=N/N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000019879853 220304549 /nfs/dbraw/zinc/30/45/49/220304549.db2.gz CECNIABCDGGTPI-HYARGMPZSA-N 1 2 373.884 3.509 50 30 FHEALO N#Cc1ccnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1Cl ZINC000225653165 132285615 /nfs/dbraw/zinc/28/56/15/132285615.db2.gz OEJHVSIOFSXBON-UHFFFAOYSA-N 1 2 363.852 3.609 50 30 FHEALO CCc1nc(C#N)c(NC[C@H](c2ccc(C(C)C)cc2)[NH+]2CCOCC2)o1 ZINC000096346418 222116130 /nfs/dbraw/zinc/11/61/30/222116130.db2.gz QVHSYBZSKMQGDZ-LJQANCHMSA-N 1 2 368.481 3.717 50 30 FHEALO CCc1nc(C#N)c(NC[C@@H](c2ccc(C(C)C)cc2)[NH+]2CCOCC2)o1 ZINC000096346417 222116382 /nfs/dbraw/zinc/11/63/82/222116382.db2.gz QVHSYBZSKMQGDZ-IBGZPJMESA-N 1 2 368.481 3.717 50 30 FHEALO N#CC1(c2ccccc2)CCN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000097729781 222208380 /nfs/dbraw/zinc/20/83/80/222208380.db2.gz QVPJFCIPOLWQAK-UHFFFAOYSA-N 1 2 356.429 3.774 50 30 FHEALO C=CCn1cc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2cc3ccccc3o2)cn1 ZINC000067724087 519279970 /nfs/dbraw/zinc/27/99/70/519279970.db2.gz GEJIDPFBWPEIGM-NRFANRHFSA-N 1 2 359.433 3.686 50 30 FHEALO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000032832142 570818889 /nfs/dbraw/zinc/81/88/89/570818889.db2.gz UWTAFYJQTNKADF-YVEFUNNKSA-N 1 2 356.297 3.868 50 30 FHEALO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000032832142 570818891 /nfs/dbraw/zinc/81/88/91/570818891.db2.gz UWTAFYJQTNKADF-YVEFUNNKSA-N 1 2 356.297 3.868 50 30 FHEALO CCCOc1ccc(-c2nc(C#N)c(NCCCn3cc[nH+]c3)o2)cc1 ZINC000005738492 570867991 /nfs/dbraw/zinc/86/79/91/570867991.db2.gz BCELJLQUDGWTPD-UHFFFAOYSA-N 1 2 351.410 3.701 50 30 FHEALO Cn1cc[nH+]c1[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000009467784 571110249 /nfs/dbraw/zinc/11/02/49/571110249.db2.gz LNCHTARQOIOCNE-KRWDZBQOSA-N 1 2 351.341 3.541 50 30 FHEALO C=CCc1ccc(OC[C@@H](O)Cn2c(C)[nH+]c3ccccc32)c(OC)c1 ZINC000012603578 571190486 /nfs/dbraw/zinc/19/04/86/571190486.db2.gz DTPKBGCAUZKDNS-KRWDZBQOSA-N 1 2 352.434 3.522 50 30 FHEALO C=CCOc1ccc(/C=C\C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000098001836 571217577 /nfs/dbraw/zinc/21/75/77/571217577.db2.gz XKFJWUKPIRAUHO-FAXUNHAKSA-N 1 2 373.456 3.904 50 30 FHEALO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000036390420 571252455 /nfs/dbraw/zinc/25/24/55/571252455.db2.gz WHDCPPVKWQVRHF-JQWIXIFHSA-N 1 2 359.779 3.813 50 30 FHEALO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000036390420 571252457 /nfs/dbraw/zinc/25/24/57/571252457.db2.gz WHDCPPVKWQVRHF-JQWIXIFHSA-N 1 2 359.779 3.813 50 30 FHEALO C=CC[NH+](CC=C)Cc1nnc2cc(-c3nc(-c4ccccc4)no3)ccn21 ZINC000169777117 571253428 /nfs/dbraw/zinc/25/34/28/571253428.db2.gz RXFANTOISMFUDH-UHFFFAOYSA-N 1 2 372.432 3.620 50 30 FHEALO CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000096013479 571333974 /nfs/dbraw/zinc/33/39/74/571333974.db2.gz SDMOYKDWUFEIGG-HNNXBMFYSA-N 1 2 369.490 3.863 50 30 FHEALO CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000096013479 571333975 /nfs/dbraw/zinc/33/39/75/571333975.db2.gz SDMOYKDWUFEIGG-HNNXBMFYSA-N 1 2 369.490 3.863 50 30 FHEALO COc1cc(C(N)=[NH+]OCc2c(F)cccc2Cl)ccc1OC(F)F ZINC000096297690 571335134 /nfs/dbraw/zinc/33/51/34/571335134.db2.gz IDKOHTKGQAIBQA-UHFFFAOYSA-N 1 2 374.746 3.926 50 30 FHEALO COc1cc(C(=O)C=CNc2ccc([NH+](C)C)cc2)cc(OC)c1OC ZINC000004140918 571356187 /nfs/dbraw/zinc/35/61/87/571356187.db2.gz DGOUDDQBNXEFPP-ZHACJKMWSA-N 1 2 356.422 3.587 50 30 FHEALO