smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@H]23)c1 ZINC000104916268 570907977 /nfs/dbraw/zinc/90/79/77/570907977.db2.gz YCHYMPBQOWVWNX-UYAOXDASSA-N 1 1 396.447 2.535 50 5 GFBAMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000046954357 205107483 /nfs/dbraw/zinc/10/74/83/205107483.db2.gz RUXHUIFMSBJKNY-KBPBESRZSA-N 1 1 379.457 2.852 50 5 GFBAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000053580462 205136803 /nfs/dbraw/zinc/13/68/03/205136803.db2.gz ORGNRXAOFFNACF-ZBFHGGJFSA-N 1 1 379.420 2.850 50 5 GFBAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000248083361 570438464 /nfs/dbraw/zinc/43/84/64/570438464.db2.gz QTUOGDWWOJNWCL-NVXWUHKLSA-N 1 1 387.461 2.900 50 5 GFBAMO Cc1cccc(NC(=O)C2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)n1 ZINC000047252054 570950020 /nfs/dbraw/zinc/95/00/20/570950020.db2.gz JSEAKRFQEMRFPG-UHFFFAOYSA-N 1 1 394.435 2.956 50 5 GFBAMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)C1 ZINC000045801758 570997031 /nfs/dbraw/zinc/99/70/31/570997031.db2.gz JJFBJFZCZGZOPX-HNNXBMFYSA-N 1 1 385.468 2.873 50 5 GFBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000005262077 204122425 /nfs/dbraw/zinc/12/24/25/204122425.db2.gz LCFUKOLKNULBDG-MRXNPFEDSA-N 1 1 398.463 2.748 50 5 GFBAMO O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025325941 204833266 /nfs/dbraw/zinc/83/32/66/204833266.db2.gz FKCCSNZCWNHEGV-UHFFFAOYSA-N 1 1 389.839 2.971 50 5 GFBAMO O=C1OCC[C@H]1N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000052936626 205134788 /nfs/dbraw/zinc/13/47/88/205134788.db2.gz XFFLRPSAFXWHRC-QGZVFWFLSA-N 1 1 387.461 2.756 50 5 GFBAMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H](C)O1 ZINC000078904373 205376843 /nfs/dbraw/zinc/37/68/43/205376843.db2.gz SXOLHKQDJZQTMI-OKILXGFUSA-N 1 1 392.456 2.851 50 5 GFBAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000058306552 206100604 /nfs/dbraw/zinc/10/06/04/206100604.db2.gz SEQUKXIJEDBIDU-INIZCTEOSA-N 1 1 382.420 2.544 50 5 GFBAMO Nc1ncnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000020386880 570253702 /nfs/dbraw/zinc/25/37/02/570253702.db2.gz IZYSWWBCOARXAT-UHFFFAOYSA-N 1 1 390.447 2.879 50 5 GFBAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000014076255 570285854 /nfs/dbraw/zinc/28/58/54/570285854.db2.gz MBYHGOKLRUQPIT-OKILXGFUSA-N 1 1 390.484 2.787 50 5 GFBAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000014076255 570285855 /nfs/dbraw/zinc/28/58/55/570285855.db2.gz MBYHGOKLRUQPIT-OKILXGFUSA-N 1 1 390.484 2.787 50 5 GFBAMO CC[NH+]1CCN(c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])CC1 ZINC000006603933 204185844 /nfs/dbraw/zinc/18/58/44/204185844.db2.gz OIGUYEHBBUUSLH-UHFFFAOYSA-N 1 1 394.435 2.865 50 5 GFBAMO Cc1nn(CC(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000008745143 204286919 /nfs/dbraw/zinc/28/69/19/204286919.db2.gz LDHBZIZMTGJWTP-AEFFLSMTSA-N 1 1 383.452 2.551 50 5 GFBAMO CC[NH+]1CCN(C(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3onc(C)c32)CC1 ZINC000036618321 205018650 /nfs/dbraw/zinc/01/86/50/205018650.db2.gz PQORKUNGMHPETA-UHFFFAOYSA-N 1 1 395.419 2.884 50 5 GFBAMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000229712760 206107635 /nfs/dbraw/zinc/10/76/35/206107635.db2.gz RUXHUIFMSBJKNY-ZIAGYGMSSA-N 1 1 379.457 2.852 50 5 GFBAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cccc(C)c3[N+](=O)[O-])cc2)CC1 ZINC000047255278 570950972 /nfs/dbraw/zinc/95/09/72/570950972.db2.gz VIUAZOVXBQFXCY-UHFFFAOYSA-N 1 1 396.491 2.971 50 5 GFBAMO COc1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000005637587 204144664 /nfs/dbraw/zinc/14/46/64/204144664.db2.gz LCKHVHBZZWVGMI-SFHVURJKSA-N 1 1 393.465 2.722 50 5 GFBAMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000046954355 205107449 /nfs/dbraw/zinc/10/74/49/205107449.db2.gz RUXHUIFMSBJKNY-UONOGXRCSA-N 1 1 379.457 2.852 50 5 GFBAMO CSc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000012818837 570232149 /nfs/dbraw/zinc/23/21/49/570232149.db2.gz HXKQFJHZKGQTOB-CHWSQXEVSA-N 1 1 381.498 2.934 50 5 GFBAMO C[NH+]1CCN(c2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3s2)CC1 ZINC000023135825 570916141 /nfs/dbraw/zinc/91/61/41/570916141.db2.gz PBJQVDTUYJBCQI-UHFFFAOYSA-N 1 1 387.421 2.802 50 5 GFBAMO O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020130910 207179055 /nfs/dbraw/zinc/17/90/55/207179055.db2.gz VIFWMTFELKXZGI-UHFFFAOYSA-N 1 1 398.466 2.806 50 5 GFBAMO Cc1nn(CC(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000248024852 570435932 /nfs/dbraw/zinc/43/59/32/570435932.db2.gz LDHBZIZMTGJWTP-SJLPKXTDSA-N 1 1 383.452 2.551 50 5 GFBAMO O=C(NCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000005050269 136194449 /nfs/dbraw/zinc/19/44/49/136194449.db2.gz NHUSESLXUFDABX-UHFFFAOYSA-N 1 1 383.452 2.929 50 5 GFBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 ZINC000006857663 570649754 /nfs/dbraw/zinc/64/97/54/570649754.db2.gz AXZKTRBBTDORCU-OAHLLOKOSA-N 1 1 388.405 2.802 50 5 GFBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 ZINC000006857663 570649756 /nfs/dbraw/zinc/64/97/56/570649756.db2.gz AXZKTRBBTDORCU-OAHLLOKOSA-N 1 1 388.405 2.802 50 5 GFBAMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000045797595 570996673 /nfs/dbraw/zinc/99/66/73/570996673.db2.gz VJGRJXZKCQNUDY-MRXNPFEDSA-N 1 1 381.429 2.624 50 5 GFBAMO O=c1c2ccccc2nc2c3ccccc3c(NCCC[NH+]3CCOCC3)nn12 ZINC000025329057 570746791 /nfs/dbraw/zinc/74/67/91/570746791.db2.gz YMADJEDBHKSHDN-UHFFFAOYSA-N 1 1 389.459 2.530 50 5 GFBAMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000241815990 209020535 /nfs/dbraw/zinc/02/05/35/209020535.db2.gz SESCUVTUTUHSEW-XJKSGUPXSA-N 1 1 390.831 2.519 50 5 GFBAMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000241815990 209020537 /nfs/dbraw/zinc/02/05/37/209020537.db2.gz SESCUVTUTUHSEW-XJKSGUPXSA-N 1 1 390.831 2.519 50 5 GFBAMO Cn1cc(C=Cc2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000328597683 206231386 /nfs/dbraw/zinc/23/13/86/206231386.db2.gz IQLNSHFHIFVLML-VMPITWQZSA-N 1 1 392.419 2.649 50 5 GFBAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])ccn1 ZINC000048309664 570232743 /nfs/dbraw/zinc/23/27/43/570232743.db2.gz YUKYILJKVHGRHN-UHFFFAOYSA-N 1 1 380.408 2.602 50 5 GFBAMO CC(C)[N@@H+]1CC[C@@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000170595067 551635448 /nfs/dbraw/zinc/63/54/48/551635448.db2.gz JKBNMDJRCQHGKO-SNVBAGLBSA-N 1 1 381.376 2.783 50 5 GFBAMO CC(C)[N@H+]1CC[C@@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000170595067 551635451 /nfs/dbraw/zinc/63/54/51/551635451.db2.gz JKBNMDJRCQHGKO-SNVBAGLBSA-N 1 1 381.376 2.783 50 5 GFBAMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000247938649 570431030 /nfs/dbraw/zinc/43/10/30/570431030.db2.gz WBKPWTDSOJYJKG-LZWOXQAQSA-N 1 1 397.497 2.629 50 5 GFBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000005262076 570531723 /nfs/dbraw/zinc/53/17/23/570531723.db2.gz LCFUKOLKNULBDG-INIZCTEOSA-N 1 1 398.463 2.748 50 5 GFBAMO Cc1ccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1[N+](=O)[O-] ZINC000012506983 570822663 /nfs/dbraw/zinc/82/26/63/570822663.db2.gz JKHXEOBBOYZJQQ-QGZVFWFLSA-N 1 1 394.391 2.511 50 5 GFBAMO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000045799118 570997113 /nfs/dbraw/zinc/99/71/13/570997113.db2.gz WXUBNFCKIHBUNN-UHFFFAOYSA-N 1 1 389.477 2.633 50 5 GFBAMO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000045799118 570997116 /nfs/dbraw/zinc/99/71/16/570997116.db2.gz WXUBNFCKIHBUNN-UHFFFAOYSA-N 1 1 389.477 2.633 50 5 GFBAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000021525913 207231570 /nfs/dbraw/zinc/23/15/70/207231570.db2.gz MBYHGOKLRUQPIT-KBPBESRZSA-N 1 1 390.484 2.787 50 5 GFBAMO O=C(c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020177266 210321979 /nfs/dbraw/zinc/32/19/79/210321979.db2.gz VHWPFXCLKUFUFS-UHFFFAOYSA-N 1 1 391.431 2.943 50 5 GFBAMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000034873357 570804895 /nfs/dbraw/zinc/80/48/95/570804895.db2.gz NNNGVSOFHUVBDI-LPHOPBHVSA-N 1 1 399.447 2.685 50 5 GFBAMO CCOCC[N@H+]1CCN(c2c(C)cc([N+](=O)[O-])cc2C(=O)OC)C[C@@H]1CC ZINC000170613114 570870653 /nfs/dbraw/zinc/87/06/53/570870653.db2.gz ZUYLYRLLVZKNIR-HNNXBMFYSA-N 1 1 379.457 2.627 50 5 GFBAMO CSc1ccc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000012818841 210015560 /nfs/dbraw/zinc/01/55/60/210015560.db2.gz HXKQFJHZKGQTOB-BETUJISGSA-N 1 1 381.498 2.934 50 5 GFBAMO CSc1ccc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000012818841 210015564 /nfs/dbraw/zinc/01/55/64/210015564.db2.gz HXKQFJHZKGQTOB-BETUJISGSA-N 1 1 381.498 2.934 50 5 GFBAMO CC(C)[N@@H+]1CC[C@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000170595066 551635430 /nfs/dbraw/zinc/63/54/30/551635430.db2.gz JKBNMDJRCQHGKO-JTQLQIEISA-N 1 1 381.376 2.783 50 5 GFBAMO CC(C)[N@H+]1CC[C@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000170595066 551635431 /nfs/dbraw/zinc/63/54/31/551635431.db2.gz JKBNMDJRCQHGKO-JTQLQIEISA-N 1 1 381.376 2.783 50 5 GFBAMO CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000012915126 570292381 /nfs/dbraw/zinc/29/23/81/570292381.db2.gz ORRMOVUDGFRBKD-MRXNPFEDSA-N 1 1 396.447 2.908 50 5 GFBAMO CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000012915126 570292384 /nfs/dbraw/zinc/29/23/84/570292384.db2.gz ORRMOVUDGFRBKD-MRXNPFEDSA-N 1 1 396.447 2.908 50 5 GFBAMO Cc1nc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)sc1C ZINC000024242972 570482854 /nfs/dbraw/zinc/48/28/54/570482854.db2.gz WKLNYOAUSMCGHD-UHFFFAOYSA-N 1 1 375.454 2.672 50 5 GFBAMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ncc(Br)cn3)CC2)cc1 ZINC000052715853 570791297 /nfs/dbraw/zinc/79/12/97/570791297.db2.gz BUEWNQFFKOQYFM-UHFFFAOYSA-N 1 1 392.257 2.512 50 5 GFBAMO Cc1ccc(NC(=O)CN2CC[NH+](CCOc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000018934892 570711935 /nfs/dbraw/zinc/71/19/35/570711935.db2.gz WTMWBEREJAZOLJ-UHFFFAOYSA-N 1 1 398.463 2.538 50 5 GFBAMO C[NH+](C)CCSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12 ZINC000040158682 210782037 /nfs/dbraw/zinc/78/20/37/210782037.db2.gz QWRHXYPBAOKLPO-UHFFFAOYSA-N 1 1 377.473 2.958 50 5 GFBAMO O=C(CCC(=O)N1CC[NH+](Cc2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000020513312 210343741 /nfs/dbraw/zinc/34/37/41/210343741.db2.gz FGHHRJXGWSNTFY-UHFFFAOYSA-N 1 1 396.447 2.658 50 5 GFBAMO COc1cccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000006250201 570348232 /nfs/dbraw/zinc/34/82/32/570348232.db2.gz ZUUVVMKTYNLCQT-GOSISDBHSA-N 1 1 393.465 2.722 50 5 GFBAMO COc1ccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@@H]23)cc1 ZINC000035870234 570468459 /nfs/dbraw/zinc/46/84/59/570468459.db2.gz QOCSSQQCFQPIJQ-ICSRJNTNSA-N 1 1 396.447 2.535 50 5 GFBAMO O=[N+]([O-])c1ccccc1C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025047079 570702063 /nfs/dbraw/zinc/70/20/63/570702063.db2.gz NMOAFKCHAPLJEO-UHFFFAOYSA-N 1 1 375.450 2.538 50 5 GFBAMO Cn1c2ccc([N+](=O)[O-])cc2nc1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000002353230 209358778 /nfs/dbraw/zinc/35/87/78/209358778.db2.gz JCPQEOACIHJDAF-UHFFFAOYSA-N 1 1 379.464 2.842 50 5 GFBAMO CN1CC[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000030000039 209193604 /nfs/dbraw/zinc/19/36/04/209193604.db2.gz NHZTVMUXIYJXBI-HXUWFJFHSA-N 1 1 382.464 2.703 50 5 GFBAMO C[N@@H+]1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000030000039 209193607 /nfs/dbraw/zinc/19/36/07/209193607.db2.gz NHZTVMUXIYJXBI-HXUWFJFHSA-N 1 1 382.464 2.703 50 5 GFBAMO C[N@H+]1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000030000039 209193611 /nfs/dbraw/zinc/19/36/11/209193611.db2.gz NHZTVMUXIYJXBI-HXUWFJFHSA-N 1 1 382.464 2.703 50 5 GFBAMO O=C(NC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)c1ccccc1 ZINC000022003987 211749294 /nfs/dbraw/zinc/74/92/94/211749294.db2.gz LWLKZGMPWNDTHM-UHFFFAOYSA-N 1 1 379.420 2.796 50 5 GFBAMO CCOCC[N@H+]1CCN(c2c(C)cc([N+](=O)[O-])cc2C(=O)OC)C[C@H]1CC ZINC000170613113 570870592 /nfs/dbraw/zinc/87/05/92/570870592.db2.gz ZUYLYRLLVZKNIR-OAHLLOKOSA-N 1 1 379.457 2.627 50 5 GFBAMO CC[NH+]1CCN(c2nc(Nc3cccc(Cl)c3)nc(N)c2[N+](=O)[O-])CC1 ZINC000005249693 570525219 /nfs/dbraw/zinc/52/52/19/570525219.db2.gz XIIOSROWOZONMI-UHFFFAOYSA-N 1 1 377.836 2.506 50 5 GFBAMO CCN(CC)S(=O)(=O)c1ccc(NCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000032935514 570947914 /nfs/dbraw/zinc/94/79/14/570947914.db2.gz GXFSLFRDXLLJJH-OAHLLOKOSA-N 1 1 398.529 2.912 50 5 GFBAMO 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COc1cccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@@H]23)c1 ZINC000035870905 570468363 /nfs/dbraw/zinc/46/83/63/570468363.db2.gz YCHYMPBQOWVWNX-ICSRJNTNSA-N 1 1 396.447 2.535 50 5 GFBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 ZINC000006857615 570649319 /nfs/dbraw/zinc/64/93/19/570649319.db2.gz AXZKTRBBTDORCU-HNNXBMFYSA-N 1 1 388.405 2.802 50 5 GFBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 ZINC000006857615 570649321 /nfs/dbraw/zinc/64/93/21/570649321.db2.gz AXZKTRBBTDORCU-HNNXBMFYSA-N 1 1 388.405 2.802 50 5 GFBAMO COc1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000005637590 570678135 /nfs/dbraw/zinc/67/81/35/570678135.db2.gz LCKHVHBZZWVGMI-GOSISDBHSA-N 1 1 393.465 2.722 50 5 GFBAMO COc1ccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@H]23)cc1 ZINC000104915551 570907998 /nfs/dbraw/zinc/90/79/98/570907998.db2.gz QOCSSQQCFQPIJQ-UYAOXDASSA-N 1 1 396.447 2.535 50 5 GFBAMO O=C(NCCC[NH+]1CCOCC1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000020472655 551115506 /nfs/dbraw/zinc/11/55/06/551115506.db2.gz HCFCGILXICFWLF-UHFFFAOYSA-N 1 1 383.857 2.915 50 5 GFBAMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000104806653 570906024 /nfs/dbraw/zinc/90/60/24/570906024.db2.gz NNNGVSOFHUVBDI-QFBILLFUSA-N 1 1 399.447 2.685 50 5 GFBAMO C[C@@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000012526575 221203051 /nfs/dbraw/zinc/20/30/51/221203051.db2.gz XTEIRZSFWMZJCR-CQSZACIVSA-N 1 1 386.427 2.977 50 5 GFBAMO CN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000012872746 221240125 /nfs/dbraw/zinc/24/01/25/221240125.db2.gz KSYZSIXRWYSQII-UHFFFAOYSA-N 1 1 396.447 2.908 50 5 GFBAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000012928836 221248175 /nfs/dbraw/zinc/24/81/75/221248175.db2.gz GRCAIXYBQXNJCX-UHFFFAOYSA-N 1 1 386.427 2.880 50 5 GFBAMO COc1ccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@H]23)cc1 ZINC000104915555 570908005 /nfs/dbraw/zinc/90/80/05/570908005.db2.gz QOCSSQQCFQPIJQ-AZUAARDMSA-N 1 1 396.447 2.535 50 5 GFBAMO COc1ccccc1[C@@H](C)NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000012554573 221205683 /nfs/dbraw/zinc/20/56/83/221205683.db2.gz PWOHNPHHWOIIEX-OAHLLOKOSA-N 1 1 398.463 2.846 50 5 GFBAMO COc1cccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@@H]23)c1 ZINC000169677923 570599636 /nfs/dbraw/zinc/59/96/36/570599636.db2.gz YCHYMPBQOWVWNX-QUCCMNQESA-N 1 1 396.447 2.535 50 5 GFBAMO CN1CC[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000036389764 570671175 /nfs/dbraw/zinc/67/11/75/570671175.db2.gz NHZTVMUXIYJXBI-FQEVSTJZSA-N 1 1 382.464 2.703 50 5 GFBAMO C[N@@H+]1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000036389764 570671177 /nfs/dbraw/zinc/67/11/77/570671177.db2.gz NHZTVMUXIYJXBI-FQEVSTJZSA-N 1 1 382.464 2.703 50 5 GFBAMO C[N@H+]1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000036389764 570671181 /nfs/dbraw/zinc/67/11/81/570671181.db2.gz NHZTVMUXIYJXBI-FQEVSTJZSA-N 1 1 382.464 2.703 50 5 GFBAMO C[N@H+]1CCN(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000034868623 570803917 /nfs/dbraw/zinc/80/39/17/570803917.db2.gz FXBHHQGOGBADDW-IBGZPJMESA-N 1 1 385.424 2.904 50 5 GFBAMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000045797594 570996559 /nfs/dbraw/zinc/99/65/59/570996559.db2.gz VJGRJXZKCQNUDY-INIZCTEOSA-N 1 1 381.429 2.624 50 5 GFBAMO O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000017081717 221380043 /nfs/dbraw/zinc/38/00/43/221380043.db2.gz LMNQGTIZZKCHRA-JRQWYPPZSA-N 1 1 399.495 2.637 50 5 GFBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008720312 136195517 /nfs/dbraw/zinc/19/55/17/136195517.db2.gz ZAKMHJSKBXRPJM-MRXNPFEDSA-N 1 1 398.463 2.890 50 5 GFBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008720312 136195518 /nfs/dbraw/zinc/19/55/18/136195518.db2.gz ZAKMHJSKBXRPJM-MRXNPFEDSA-N 1 1 398.463 2.890 50 5 GFBAMO O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@H]2C1 ZINC000017081718 221379968 /nfs/dbraw/zinc/37/99/68/221379968.db2.gz LMNQGTIZZKCHRA-HQHQJUQOSA-N 1 1 399.495 2.637 50 5 GFBAMO O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000023888257 570333549 /nfs/dbraw/zinc/33/35/49/570333549.db2.gz DLQZEASIRSRMOX-UHFFFAOYSA-N 1 1 376.848 2.662 50 5 GFBAMO COc1ccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000022240009 205947746 /nfs/dbraw/zinc/94/77/46/205947746.db2.gz OUPZSDGIPWURIZ-INIZCTEOSA-N 1 1 399.447 2.715 50 5 GFBAMO C[NH+]1CCN([C@@H](CNC(=O)Nc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000024239690 570482456 /nfs/dbraw/zinc/48/24/56/570482456.db2.gz UKXOOMKQXHOHCT-INIZCTEOSA-N 1 1 389.481 2.767 50 5 GFBAMO O=C(Cc1ccccc1)NC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048253669 570227355 /nfs/dbraw/zinc/22/73/55/570227355.db2.gz PPDYFZZCRFCDND-UHFFFAOYSA-N 1 1 393.447 2.725 50 5 GFBAMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(c2nccs2)CC1 ZINC000026342344 570325128 /nfs/dbraw/zinc/32/51/28/570325128.db2.gz JMVIVEDWRPTAQF-UHFFFAOYSA-N 1 1 375.454 2.511 50 5 GFBAMO O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000022298773 136203665 /nfs/dbraw/zinc/20/36/65/136203665.db2.gz NRHOQEVMXOKBJF-SFHVURJKSA-N 1 1 391.855 2.810 50 5 GFBAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000013020087 570419095 /nfs/dbraw/zinc/41/90/95/570419095.db2.gz GGBNBZCXVUFJKS-CYBMUJFWSA-N 1 1 398.398 2.946 50 5 GFBAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000013020087 570419097 /nfs/dbraw/zinc/41/90/97/570419097.db2.gz GGBNBZCXVUFJKS-CYBMUJFWSA-N 1 1 398.398 2.946 50 5 GFBAMO CC(C)NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012523195 570829416 /nfs/dbraw/zinc/82/94/16/570829416.db2.gz GXFOZEQUVVFYRT-UHFFFAOYSA-N 1 1 388.390 2.650 50 5 GFBAMO CC(C)NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012523195 570829420 /nfs/dbraw/zinc/82/94/20/570829420.db2.gz GXFOZEQUVVFYRT-UHFFFAOYSA-N 1 1 388.390 2.650 50 5 GFBAMO O=C(NC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)c1ccc(F)cc1 ZINC000026649259 206002324 /nfs/dbraw/zinc/00/23/24/206002324.db2.gz OBNKNZHBRAQXGU-UHFFFAOYSA-N 1 1 397.410 2.936 50 5 GFBAMO CCCC[N@@H+](C)CC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000048263188 570224850 /nfs/dbraw/zinc/22/48/50/570224850.db2.gz XSNAQOUKEJOMAA-UHFFFAOYSA-N 1 1 383.514 2.947 50 5 GFBAMO CC[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000026843811 570439418 /nfs/dbraw/zinc/43/94/18/570439418.db2.gz DXLMGDYNMSMSAX-KRWDZBQOSA-N 1 1 389.477 2.710 50 5 GFBAMO CC[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000026843811 570439422 /nfs/dbraw/zinc/43/94/22/570439422.db2.gz DXLMGDYNMSMSAX-KRWDZBQOSA-N 1 1 389.477 2.710 50 5 GFBAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000055543418 205149447 /nfs/dbraw/zinc/14/94/47/205149447.db2.gz IAXSXQABTXUAGF-CQSZACIVSA-N 1 1 379.457 2.692 50 5 GFBAMO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000026775757 570437256 /nfs/dbraw/zinc/43/72/56/570437256.db2.gz GWOMOWKSFCVWSF-UHFFFAOYSA-N 1 1 385.346 2.549 50 5 GFBAMO COc1cccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@H]23)c1 ZINC000104916270 570908044 /nfs/dbraw/zinc/90/80/44/570908044.db2.gz YCHYMPBQOWVWNX-AZUAARDMSA-N 1 1 396.447 2.535 50 5 GFBAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000058306554 206100793 /nfs/dbraw/zinc/10/07/93/206100793.db2.gz SEQUKXIJEDBIDU-MRXNPFEDSA-N 1 1 382.420 2.544 50 5 GFBAMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000241815989 206128228 /nfs/dbraw/zinc/12/82/28/206128228.db2.gz SESCUVTUTUHSEW-CZUORRHYSA-N 1 1 390.831 2.519 50 5 GFBAMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000241815989 206128233 /nfs/dbraw/zinc/12/82/33/206128233.db2.gz SESCUVTUTUHSEW-CZUORRHYSA-N 1 1 390.831 2.519 50 5 GFBAMO C[N@H+]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](c2ccccc2)C1 ZINC000036390126 205016106 /nfs/dbraw/zinc/01/61/06/205016106.db2.gz XOXRVKVNFYJLCH-IBGZPJMESA-N 1 1 378.436 2.800 50 5 GFBAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cn1 ZINC000048263819 205116165 /nfs/dbraw/zinc/11/61/65/205116165.db2.gz NHFUESLHXMQLSL-UHFFFAOYSA-N 1 1 389.375 2.922 50 5 GFBAMO COc1cccc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000006250199 204172093 /nfs/dbraw/zinc/17/20/93/204172093.db2.gz ZUUVVMKTYNLCQT-SFHVURJKSA-N 1 1 393.465 2.722 50 5 GFBAMO O=C1OCC[C@@H]1N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000052936629 205135192 /nfs/dbraw/zinc/13/51/92/205135192.db2.gz XFFLRPSAFXWHRC-KRWDZBQOSA-N 1 1 387.461 2.756 50 5 GFBAMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029714959 206067786 /nfs/dbraw/zinc/06/77/86/206067786.db2.gz DSKMRGPUDAFNCD-CMDGGOBGSA-N 1 1 381.432 2.757 50 5 GFBAMO CCN(CC)S(=O)(=O)c1ccc(NCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000032935513 206096839 /nfs/dbraw/zinc/09/68/39/206096839.db2.gz GXFSLFRDXLLJJH-HNNXBMFYSA-N 1 1 398.529 2.912 50 5 GFBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008719695 136195554 /nfs/dbraw/zinc/19/55/54/136195554.db2.gz ZAKMHJSKBXRPJM-INIZCTEOSA-N 1 1 398.463 2.890 50 5 GFBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008719695 136195555 /nfs/dbraw/zinc/19/55/55/136195555.db2.gz ZAKMHJSKBXRPJM-INIZCTEOSA-N 1 1 398.463 2.890 50 5 GFBAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000064915954 570589967 /nfs/dbraw/zinc/58/99/67/570589967.db2.gz ORGNRXAOFFNACF-GOEBONIOSA-N 1 1 379.420 2.850 50 5 GFBAMO Cc1nn(CC(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000012689308 570949252 /nfs/dbraw/zinc/94/92/52/570949252.db2.gz LDHBZIZMTGJWTP-FUHWJXTLSA-N 1 1 383.452 2.551 50 5 GFBAMO Cc1cccc(NC(=O)C2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000047252048 570949956 /nfs/dbraw/zinc/94/99/56/570949956.db2.gz ZSMQFADTPUJLTM-UHFFFAOYSA-N 1 1 394.435 2.956 50 5 GFBAMO CN1CC[NH+](Cc2ccccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000040123029 207342074 /nfs/dbraw/zinc/34/20/74/207342074.db2.gz HNWMOQVZUPRFNB-UHFFFAOYSA-N 1 1 383.452 2.664 50 5 GFBAMO O=c1oc2c(ccc3c2CN(CCC[NH+]2CCOCC2)CO3)c2ccccc21 ZINC000006662251 570525774 /nfs/dbraw/zinc/52/57/74/570525774.db2.gz QCQBGKGTKVQMSO-UHFFFAOYSA-N 1 1 380.444 2.820 50 5 GFBAMO Cc1ccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1[N+](=O)[O-] ZINC000012506984 570822708 /nfs/dbraw/zinc/82/27/08/570822708.db2.gz JKHXEOBBOYZJQQ-KRWDZBQOSA-N 1 1 394.391 2.511 50 5 GFBAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000047284896 570951193 /nfs/dbraw/zinc/95/11/93/570951193.db2.gz SMVKYDNPYCTXQZ-UHFFFAOYSA-N 1 1 382.464 2.662 50 5 GFBAMO C[N@@H+]1CC=C(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000089374932 208104332 /nfs/dbraw/zinc/10/43/32/208104332.db2.gz VOEYGDBXJUDGMR-UHFFFAOYSA-N 1 1 375.472 2.923 50 5 GFBAMO O=C1Cn2c3ccc([N+](=O)[O-])cc3nc2CN1C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000032124033 570963267 /nfs/dbraw/zinc/96/32/67/570963267.db2.gz WUALZOSXAZASCL-WMLDXEAASA-N 1 1 383.452 2.551 50 5 GFBAMO COc1ccc(OCC[N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000048354152 570241334 /nfs/dbraw/zinc/24/13/34/570241334.db2.gz HRWHEGOMSKIBBK-UHFFFAOYSA-N 1 1 383.408 2.830 50 5 GFBAMO COc1ccc(OCC[N@@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000048354152 570241337 /nfs/dbraw/zinc/24/13/37/570241337.db2.gz HRWHEGOMSKIBBK-UHFFFAOYSA-N 1 1 383.408 2.830 50 5 GFBAMO CC(C)[NH+]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000047841090 570215861 /nfs/dbraw/zinc/21/58/61/570215861.db2.gz MZQFDLOPQCCKIF-UHFFFAOYSA-N 1 1 375.347 2.702 50 5 GFBAMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000026832969 570438931 /nfs/dbraw/zinc/43/89/31/570438931.db2.gz XDMHJKSAISWLIU-UHFFFAOYSA-N 1 1 389.477 2.630 50 5 GFBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000043127023 570949112 /nfs/dbraw/zinc/94/91/12/570949112.db2.gz KIIYKCITTROJIC-UHFFFAOYSA-N 1 1 392.456 2.760 50 5 GFBAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000040089833 207338164 /nfs/dbraw/zinc/33/81/64/207338164.db2.gz RHIUEMVYINJURK-UHFFFAOYSA-N 1 1 396.491 2.591 50 5 GFBAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000053580461 570326441 /nfs/dbraw/zinc/32/64/41/570326441.db2.gz ORGNRXAOFFNACF-HOCLYGCPSA-N 1 1 379.420 2.850 50 5 GFBAMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000057997263 208851543 /nfs/dbraw/zinc/85/15/43/208851543.db2.gz MUSMENZDNQRKFO-OAHLLOKOSA-N 1 1 381.454 2.858 50 5 GFBAMO COc1ccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@@H]23)cc1 ZINC000169677320 570597769 /nfs/dbraw/zinc/59/77/69/570597769.db2.gz QOCSSQQCFQPIJQ-QUCCMNQESA-N 1 1 396.447 2.535 50 5 GFBAMO COc1ccc([C@H]2C[N@@H+](C)CC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000248125731 570441798 /nfs/dbraw/zinc/44/17/98/570441798.db2.gz LRRXLTRGKYNAEH-MSOLQXFVSA-N 1 1 399.447 2.830 50 5 GFBAMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020109645 210317086 /nfs/dbraw/zinc/31/70/86/210317086.db2.gz FIDGVROMRQUMQG-QGZVFWFLSA-N 1 1 391.855 2.810 50 5 GFBAMO Cc1ccnc(NC(=O)C2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000047252450 570949871 /nfs/dbraw/zinc/94/98/71/570949871.db2.gz XVKFKIJIZSLUBB-UHFFFAOYSA-N 1 1 394.435 2.956 50 5 GFBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001310614 570957304 /nfs/dbraw/zinc/95/73/04/570957304.db2.gz HOZQYTNOQZBRCS-PKOBYXMFSA-N 1 1 387.461 2.900 50 5 GFBAMO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000027357581 570997309 /nfs/dbraw/zinc/99/73/09/570997309.db2.gz MYANQILFAGANEM-INIZCTEOSA-N 1 1 383.404 2.802 50 5 GFBAMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000027357581 570997312 /nfs/dbraw/zinc/99/73/12/570997312.db2.gz MYANQILFAGANEM-INIZCTEOSA-N 1 1 383.404 2.802 50 5 GFBAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000229766817 209190982 /nfs/dbraw/zinc/19/09/82/209190982.db2.gz ORGNRXAOFFNACF-GDBMZVCRSA-N 1 1 379.420 2.850 50 5 GFBAMO Cn1c2ccccc2c(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1=O ZINC000020841583 210362518 /nfs/dbraw/zinc/36/25/18/210362518.db2.gz YYIKFTJXOYTLQT-UHFFFAOYSA-N 1 1 378.432 2.769 50 5 GFBAMO O=C(NC1CCCCC1)c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000020388129 210331900 /nfs/dbraw/zinc/33/19/00/210331900.db2.gz PXDVRZDNNCNBGC-UHFFFAOYSA-N 1 1 390.484 2.792 50 5 GFBAMO CC(C)CCNc1nc(N)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000054147620 570450712 /nfs/dbraw/zinc/45/07/12/570450712.db2.gz XGUDOAALRXRPQQ-UHFFFAOYSA-N 1 1 399.499 2.747 50 5 GFBAMO COc1cc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(C)cc1[N+](=O)[O-] ZINC000007007615 570739769 /nfs/dbraw/zinc/73/97/69/570739769.db2.gz OAAJZIIJYAUHGC-UHFFFAOYSA-N 1 1 398.463 2.668 50 5 GFBAMO CSc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000012818833 210015003 /nfs/dbraw/zinc/01/50/03/210015003.db2.gz HXKQFJHZKGQTOB-STQMWFEESA-N 1 1 381.498 2.934 50 5 GFBAMO O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H](C[NH+]2CCCCC2)N2CCCCC2)cc1 ZINC000002857555 209391218 /nfs/dbraw/zinc/39/12/18/209391218.db2.gz UWHKGMAZFDNPRL-GOSISDBHSA-N 1 1 395.525 2.709 50 5 GFBAMO CC[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000026843818 570439361 /nfs/dbraw/zinc/43/93/61/570439361.db2.gz DXLMGDYNMSMSAX-QGZVFWFLSA-N 1 1 389.477 2.710 50 5 GFBAMO CC[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000026843818 570439363 /nfs/dbraw/zinc/43/93/63/570439363.db2.gz DXLMGDYNMSMSAX-QGZVFWFLSA-N 1 1 389.477 2.710 50 5 GFBAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000024242813 570482416 /nfs/dbraw/zinc/48/24/16/570482416.db2.gz NNNGVSOFHUVBDI-VQIMIIECSA-N 1 1 399.447 2.685 50 5 GFBAMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012554418 570857502 /nfs/dbraw/zinc/85/75/02/570857502.db2.gz VTIUEWUTIIKRNG-INIZCTEOSA-N 1 1 398.463 2.890 50 5 GFBAMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012554418 570857505 /nfs/dbraw/zinc/85/75/05/570857505.db2.gz VTIUEWUTIIKRNG-INIZCTEOSA-N 1 1 398.463 2.890 50 5 GFBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001764259 570422189 /nfs/dbraw/zinc/42/21/89/570422189.db2.gz QTUOGDWWOJNWCL-RDJZCZTQSA-N 1 1 387.461 2.900 50 5 GFBAMO C[NH+]1CCN([C@H](CNC(=O)Nc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000024239695 570482192 /nfs/dbraw/zinc/48/21/92/570482192.db2.gz UKXOOMKQXHOHCT-MRXNPFEDSA-N 1 1 389.481 2.767 50 5 GFBAMO O=C(NC1CC1)c1ccc(N2CC[NH+](Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000012549507 570852408 /nfs/dbraw/zinc/85/24/08/570852408.db2.gz SFHOTKNSRIZJEN-UHFFFAOYSA-N 1 1 386.477 2.871 50 5 GFBAMO COc1ccc([C@H]2C[N@@H+](C)CC[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000199271943 570968104 /nfs/dbraw/zinc/96/81/04/570968104.db2.gz LRRXLTRGKYNAEH-QZTJIDSGSA-N 1 1 399.447 2.830 50 5 GFBAMO C[N@H+]1CCN(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000031784642 212043717 /nfs/dbraw/zinc/04/37/17/212043717.db2.gz FXBHHQGOGBADDW-LJQANCHMSA-N 1 1 385.424 2.904 50 5 GFBAMO CC(C)(C)OC(=O)NC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048273852 570226166 /nfs/dbraw/zinc/22/61/66/570226166.db2.gz FKDOPOXFPAOHMD-UHFFFAOYSA-N 1 1 375.429 2.891 50 5 GFBAMO Cc1cccc(NC(=O)c2ccc(NCCC[NH+]3CCOCC3)c([N+](=O)[O-])c2)n1 ZINC000020472131 570952054 /nfs/dbraw/zinc/95/20/54/570952054.db2.gz ZBKOENZFEJRJCB-UHFFFAOYSA-N 1 1 399.451 2.685 50 5 GFBAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000024242817 570482222 /nfs/dbraw/zinc/48/22/22/570482222.db2.gz NNNGVSOFHUVBDI-APWZRJJASA-N 1 1 399.447 2.685 50 5 GFBAMO C[C@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000012526576 221202907 /nfs/dbraw/zinc/20/29/07/221202907.db2.gz XTEIRZSFWMZJCR-AWEZNQCLSA-N 1 1 386.427 2.977 50 5 GFBAMO O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000022298770 136203694 /nfs/dbraw/zinc/20/36/94/136203694.db2.gz NRHOQEVMXOKBJF-GOSISDBHSA-N 1 1 391.855 2.810 50 5 GFBAMO CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000012915130 221245840 /nfs/dbraw/zinc/24/58/40/221245840.db2.gz ORRMOVUDGFRBKD-INIZCTEOSA-N 1 1 396.447 2.908 50 5 GFBAMO CN(C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000012915130 221245842 /nfs/dbraw/zinc/24/58/42/221245842.db2.gz ORRMOVUDGFRBKD-INIZCTEOSA-N 1 1 396.447 2.908 50 5 GFBAMO C[NH+]1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2[N+](=O)[O-])CC1 ZINC000008726344 136195525 /nfs/dbraw/zinc/19/55/25/136195525.db2.gz AJICTRMDCBGDKJ-UHFFFAOYSA-N 1 1 380.448 2.545 50 5 GFBAMO C[NH+](C)CC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000057294296 222029828 /nfs/dbraw/zinc/02/98/28/222029828.db2.gz MFGPZRLQWBMFCR-UHFFFAOYSA-N 1 1 381.024 2.620 50 5 GFBAMO CC(C)NC(=O)c1ccc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000023619426 570328582 /nfs/dbraw/zinc/32/85/82/570328582.db2.gz XIRJZZKKXXKJII-GASCZTMLSA-N 1 1 378.473 2.644 50 5 GFBAMO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2c(c1)OCO2 ZINC000052537677 570752742 /nfs/dbraw/zinc/75/27/42/570752742.db2.gz OBJJDVZVLHYNCQ-UHFFFAOYSA-N 1 1 383.404 2.719 50 5 GFBAMO C[NH+]1CCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2[N+](=O)[O-])CC1 ZINC000004560284 570864321 /nfs/dbraw/zinc/86/43/21/570864321.db2.gz CSMOUOFWGUHAJF-UHFFFAOYSA-N 1 1 398.507 2.901 50 5 GFBAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000013020089 221257974 /nfs/dbraw/zinc/25/79/74/221257974.db2.gz GGBNBZCXVUFJKS-ZDUSSCGKSA-N 1 1 398.398 2.946 50 5 GFBAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000013020089 221257976 /nfs/dbraw/zinc/25/79/76/221257976.db2.gz GGBNBZCXVUFJKS-ZDUSSCGKSA-N 1 1 398.398 2.946 50 5 GFBAMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)C1 ZINC000045801757 570997200 /nfs/dbraw/zinc/99/72/00/570997200.db2.gz JJFBJFZCZGZOPX-OAHLLOKOSA-N 1 1 385.468 2.873 50 5 GFBAMO O=[N+]([O-])c1cc(S(=O)(=O)NCC[NH+]2CCCCC2)c(Cl)cc1Cl ZINC000225392865 553059139 /nfs/dbraw/zinc/05/91/39/553059139.db2.gz CQSGDGRERFIWGA-UHFFFAOYSA-N 1 1 382.269 2.666 50 5 GFBAMO COc1ccccc1[C@H](C)NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000012554575 221205961 /nfs/dbraw/zinc/20/59/61/221205961.db2.gz PWOHNPHHWOIIEX-HNNXBMFYSA-N 1 1 398.463 2.846 50 5 GFBAMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012554417 221206070 /nfs/dbraw/zinc/20/60/70/221206070.db2.gz VTIUEWUTIIKRNG-MRXNPFEDSA-N 1 1 398.463 2.890 50 5 GFBAMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012554417 221206073 /nfs/dbraw/zinc/20/60/73/221206073.db2.gz VTIUEWUTIIKRNG-MRXNPFEDSA-N 1 1 398.463 2.890 50 5 GFBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002101190 570942356 /nfs/dbraw/zinc/94/23/56/570942356.db2.gz HOZQYTNOQZBRCS-HKUYNNGSSA-N 1 1 387.461 2.900 50 5 GFBAMO