smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000009980894 1072612036 /nfs/dbraw/zinc/61/20/36/1072612036.db2.gz XUBOOCSKBXFXCO-SFHVURJKSA-N 1 1 437.585 -0.384 20 0 IBADMO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000009980897 1072611856 /nfs/dbraw/zinc/61/18/56/1072611856.db2.gz XUBOOCSKBXFXCO-GOSISDBHSA-N 1 1 437.585 -0.384 20 0 IBADMO CCN(CC)S(=O)(=O)N1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000010078077 1074430777 /nfs/dbraw/zinc/43/07/77/1074430777.db2.gz VTRVHZJYKPHEKU-GOSISDBHSA-N 1 1 433.619 -0.336 20 0 IBADMO CCN(CC)S(=O)(=O)N1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000010078082 1074430795 /nfs/dbraw/zinc/43/07/95/1074430795.db2.gz VTRVHZJYKPHEKU-SFHVURJKSA-N 1 1 433.619 -0.336 20 0 IBADMO NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000010095964 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C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434980544 1071827542 /nfs/dbraw/zinc/82/75/42/1071827542.db2.gz ADYGNFFPNFXPCN-RDJZCZTQSA-N 1 1 428.555 -0.111 20 0 IBADMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434980544 1071827530 /nfs/dbraw/zinc/82/75/30/1071827530.db2.gz ADYGNFFPNFXPCN-RDJZCZTQSA-N 1 1 428.555 -0.111 20 0 IBADMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434980545 1071827852 /nfs/dbraw/zinc/82/78/52/1071827852.db2.gz ADYGNFFPNFXPCN-WBVHZDCISA-N 1 1 428.555 -0.111 20 0 IBADMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434980545 1071827850 /nfs/dbraw/zinc/82/78/50/1071827850.db2.gz ADYGNFFPNFXPCN-WBVHZDCISA-N 1 1 428.555 -0.111 20 0 IBADMO COc1ccc(NC(=O)CN(C)C[C@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000434982063 1071827559 /nfs/dbraw/zinc/82/75/59/1071827559.db2.gz JYRNGQVLLDTKSS-INIZCTEOSA-N 1 1 444.554 -0.491 20 0 IBADMO COc1ccc(NC(=O)CN(C)C[C@@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000434982164 1071827648 /nfs/dbraw/zinc/82/76/48/1071827648.db2.gz JYRNGQVLLDTKSS-MRXNPFEDSA-N 1 1 444.554 -0.491 20 0 IBADMO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434983642 1071829892 /nfs/dbraw/zinc/82/98/92/1071829892.db2.gz SMPTYMZLHDZXIM-UXLLHSPISA-N 1 1 428.555 -0.475 20 0 IBADMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000434983644 1071829831 /nfs/dbraw/zinc/82/98/31/1071829831.db2.gz SMPTYMZLHDZXIM-YQQAZPJKSA-N 1 1 428.555 -0.475 20 0 IBADMO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434983645 1071829907 /nfs/dbraw/zinc/82/99/07/1071829907.db2.gz SMPTYMZLHDZXIM-ZMSDIMECSA-N 1 1 428.555 -0.475 20 0 IBADMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000434983647 1071829516 /nfs/dbraw/zinc/82/95/16/1071829516.db2.gz SMPTYMZLHDZXIM-ZOBUZTSGSA-N 1 1 428.555 -0.475 20 0 IBADMO CN(CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000434985662 1071829856 /nfs/dbraw/zinc/82/98/56/1071829856.db2.gz JSSDWBGIENUZLO-MOPGFXCFSA-N 1 1 431.599 -0.040 20 0 IBADMO CN(CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000434985663 1071829779 /nfs/dbraw/zinc/82/97/79/1071829779.db2.gz JSSDWBGIENUZLO-OALUTQOASA-N 1 1 431.599 -0.040 20 0 IBADMO CN(CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434985664 1071829804 /nfs/dbraw/zinc/82/98/04/1071829804.db2.gz JSSDWBGIENUZLO-RBUKOAKNSA-N 1 1 431.599 -0.040 20 0 IBADMO CN(CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434985665 1071829560 /nfs/dbraw/zinc/82/95/60/1071829560.db2.gz JSSDWBGIENUZLO-RTBURBONSA-N 1 1 431.599 -0.040 20 0 IBADMO CN(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434987602 1071830471 /nfs/dbraw/zinc/83/04/71/1071830471.db2.gz VITFOQDHEWHVRE-DLBZAZTESA-N 1 1 445.607 -0.111 20 0 IBADMO CN(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434987603 1071830594 /nfs/dbraw/zinc/83/05/94/1071830594.db2.gz VITFOQDHEWHVRE-IAGOWNOFSA-N 1 1 445.607 -0.111 20 0 IBADMO CN(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)C[C@H](O)C[NH+]1CCOCC1 ZINC000434987604 1071830450 /nfs/dbraw/zinc/83/04/50/1071830450.db2.gz VITFOQDHEWHVRE-IRXDYDNUSA-N 1 1 445.607 -0.111 20 0 IBADMO CN(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C[C@H](O)C[NH+]1CCOCC1 ZINC000434987605 1071830520 /nfs/dbraw/zinc/83/05/20/1071830520.db2.gz VITFOQDHEWHVRE-SJORKVTESA-N 1 1 445.607 -0.111 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N(C)CC(=O)N3CCOCC3)n2)c1C ZINC000434989221 1071830418 /nfs/dbraw/zinc/83/04/18/1071830418.db2.gz AZGARBFTTWNXFW-UHFFFAOYSA-N 1 1 445.480 -0.397 20 0 IBADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434996160 1071830637 /nfs/dbraw/zinc/83/06/37/1071830637.db2.gz SCICAFWDWVGUNV-DOTOQJQBSA-N 1 1 428.555 -0.994 20 0 IBADMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434996161 1071830554 /nfs/dbraw/zinc/83/05/54/1071830554.db2.gz SCICAFWDWVGUNV-NVXWUHKLSA-N 1 1 428.555 -0.994 20 0 IBADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434996162 1071830615 /nfs/dbraw/zinc/83/06/15/1071830615.db2.gz SCICAFWDWVGUNV-RDJZCZTQSA-N 1 1 428.555 -0.994 20 0 IBADMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434996163 1071831139 /nfs/dbraw/zinc/83/11/39/1071831139.db2.gz SCICAFWDWVGUNV-WBVHZDCISA-N 1 1 428.555 -0.994 20 0 IBADMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434998620 1071831159 /nfs/dbraw/zinc/83/11/59/1071831159.db2.gz BWWCTTOLWCWOJP-GDBMZVCRSA-N 1 1 426.539 -0.764 20 0 IBADMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434998625 1071831369 /nfs/dbraw/zinc/83/13/69/1071831369.db2.gz BWWCTTOLWCWOJP-GOEBONIOSA-N 1 1 426.539 -0.764 20 0 IBADMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434998628 1071831233 /nfs/dbraw/zinc/83/12/33/1071831233.db2.gz BWWCTTOLWCWOJP-HOCLYGCPSA-N 1 1 426.539 -0.764 20 0 IBADMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434998630 1071831281 /nfs/dbraw/zinc/83/12/81/1071831281.db2.gz BWWCTTOLWCWOJP-ZBFHGGJFSA-N 1 1 426.539 -0.764 20 0 IBADMO C[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000434999499 1071828868 /nfs/dbraw/zinc/82/88/68/1071828868.db2.gz LVXSTFIFUJVYEV-GOSISDBHSA-N 1 1 443.566 -0.289 20 0 IBADMO C[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@H](O)CN1CCOCC1 ZINC000434999503 1071829025 /nfs/dbraw/zinc/82/90/25/1071829025.db2.gz LVXSTFIFUJVYEV-SFHVURJKSA-N 1 1 443.566 -0.289 20 0 IBADMO Cc1ccc(NC(=O)CN(C)C[C@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000435000037 1071831336 /nfs/dbraw/zinc/83/13/36/1071831336.db2.gz LMWPIQSFRDRRHF-KRWDZBQOSA-N 1 1 428.555 -0.191 20 0 IBADMO Cc1ccc(NC(=O)CN(C)C[C@@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000435000038 1071831204 /nfs/dbraw/zinc/83/12/04/1071831204.db2.gz LMWPIQSFRDRRHF-QGZVFWFLSA-N 1 1 428.555 -0.191 20 0 IBADMO C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C[C@H](O)CN1CCOCC1 ZINC000435000918 1071829727 /nfs/dbraw/zinc/82/97/27/1071829727.db2.gz UWDHUNZIHCTGSY-FQEVSTJZSA-N 1 1 434.537 -0.600 20 0 IBADMO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C[C@H](O)CN1CCOCC1 ZINC000435000918 1071829712 /nfs/dbraw/zinc/82/97/12/1071829712.db2.gz UWDHUNZIHCTGSY-FQEVSTJZSA-N 1 1 434.537 -0.600 20 0 IBADMO C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000435000921 1071829635 /nfs/dbraw/zinc/82/96/35/1071829635.db2.gz UWDHUNZIHCTGSY-HXUWFJFHSA-N 1 1 434.537 -0.600 20 0 IBADMO C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000435000921 1071829621 /nfs/dbraw/zinc/82/96/21/1071829621.db2.gz UWDHUNZIHCTGSY-HXUWFJFHSA-N 1 1 434.537 -0.600 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCc3cnc(N(C)C)n3C)n2)c1C ZINC000435001623 1071829935 /nfs/dbraw/zinc/82/99/35/1071829935.db2.gz YHQRBOPYXGSHAK-UHFFFAOYSA-N 1 1 441.496 0.401 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)n2)c1C ZINC000435009496 1071831880 /nfs/dbraw/zinc/83/18/80/1071831880.db2.gz RZQVMBXQSVMPKX-GDBMZVCRSA-N 1 1 441.492 0.555 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)n2)c1C ZINC000435009497 1071831774 /nfs/dbraw/zinc/83/17/74/1071831774.db2.gz RZQVMBXQSVMPKX-GOEBONIOSA-N 1 1 441.492 0.555 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)n2)c1C ZINC000435009498 1071831813 /nfs/dbraw/zinc/83/18/13/1071831813.db2.gz RZQVMBXQSVMPKX-HOCLYGCPSA-N 1 1 441.492 0.555 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2)c1C ZINC000435009499 1073339370 /nfs/dbraw/zinc/33/93/70/1073339370.db2.gz RZQVMBXQSVMPKX-ZBFHGGJFSA-N 1 1 441.492 0.555 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N(C)CCN3CCOCC3)n2)c1C ZINC000435014736 1071832545 /nfs/dbraw/zinc/83/25/45/1071832545.db2.gz CDFPVGXMTQXABY-UHFFFAOYSA-N 1 1 431.497 0.076 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCNC(=O)[C@@H]3C(C)C)n2)c1C ZINC000435017938 1071833219 /nfs/dbraw/zinc/83/32/19/1071833219.db2.gz AGJAUHZRABYZNU-HNNXBMFYSA-N 1 1 429.481 0.268 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCNC(=O)[C@H]3C(C)C)n2)c1C ZINC000435017940 1071833190 /nfs/dbraw/zinc/83/31/90/1071833190.db2.gz AGJAUHZRABYZNU-OAHLLOKOSA-N 1 1 429.481 0.268 20 0 IBADMO CCOCCOC1CN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1 ZINC000435026545 1071834103 /nfs/dbraw/zinc/83/41/03/1071834103.db2.gz MJQYZRXBINLKGT-UHFFFAOYSA-N 1 1 432.481 0.549 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCOC[C@H]3C[C@H](C)O)n2)c1C ZINC000435036220 1071833342 /nfs/dbraw/zinc/83/33/42/1071833342.db2.gz RXUOLVQVONQRCH-DZGCQCFKSA-N 1 1 432.481 0.284 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCOC[C@@H]3C[C@@H](C)O)n2)c1C ZINC000435036221 1071832963 /nfs/dbraw/zinc/83/29/63/1071832963.db2.gz RXUOLVQVONQRCH-HIFRSBDPSA-N 1 1 432.481 0.284 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCOC[C@H]3C[C@@H](C)O)n2)c1C ZINC000435036222 1071833401 /nfs/dbraw/zinc/83/34/01/1071833401.db2.gz RXUOLVQVONQRCH-UKRRQHHQSA-N 1 1 432.481 0.284 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCOC[C@@H]3C[C@H](C)O)n2)c1C ZINC000435036223 1071833102 /nfs/dbraw/zinc/83/31/02/1071833102.db2.gz RXUOLVQVONQRCH-ZFWWWQNUSA-N 1 1 432.481 0.284 20 0 IBADMO COC[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C[C@H](C)O1 ZINC000435040464 1071834090 /nfs/dbraw/zinc/83/40/90/1071834090.db2.gz MBEAQGTTYOLNEG-DZGCQCFKSA-N 1 1 432.481 0.548 20 0 IBADMO COC[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C[C@@H](C)O1 ZINC000435040465 1071834050 /nfs/dbraw/zinc/83/40/50/1071834050.db2.gz MBEAQGTTYOLNEG-HIFRSBDPSA-N 1 1 432.481 0.548 20 0 IBADMO COC[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C[C@@H](C)O1 ZINC000435040466 1073338351 /nfs/dbraw/zinc/33/83/51/1073338351.db2.gz MBEAQGTTYOLNEG-UKRRQHHQSA-N 1 1 432.481 0.548 20 0 IBADMO COC[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C[C@H](C)O1 ZINC000435040467 1073337554 /nfs/dbraw/zinc/33/75/54/1073337554.db2.gz MBEAQGTTYOLNEG-ZFWWWQNUSA-N 1 1 432.481 0.548 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCN(C(C)=O)C[C@H]3C)n2)c1C ZINC000435048558 1071835271 /nfs/dbraw/zinc/83/52/71/1071835271.db2.gz NNNIBOSFHGEPPO-CYBMUJFWSA-N 1 1 429.481 0.365 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCN(C(C)=O)C[C@@H]3C)n2)c1C ZINC000435048560 1071835175 /nfs/dbraw/zinc/83/51/75/1071835175.db2.gz NNNIBOSFHGEPPO-ZDUSSCGKSA-N 1 1 429.481 0.365 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCS(=O)(=O)C[C@H]3C)n2)c1C ZINC000435049408 1071835411 /nfs/dbraw/zinc/83/54/11/1071835411.db2.gz GTASLNOWYIUEAL-GFCCVEGCSA-N 1 1 436.494 -0.069 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCS(=O)(=O)C[C@@H]3C)n2)c1C ZINC000435049409 1071835368 /nfs/dbraw/zinc/83/53/68/1071835368.db2.gz GTASLNOWYIUEAL-LBPRGKRZSA-N 1 1 436.494 -0.069 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCN4C(=O)N=NC4C3)n2)c1C ZINC000435050743 1071835317 /nfs/dbraw/zinc/83/53/17/1071835317.db2.gz MYZOXZFGXUXCQB-UHFFFAOYSA-N 1 1 427.425 -0.375 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C(N)=O)n2)c1C ZINC000435051413 1071835383 /nfs/dbraw/zinc/83/53/83/1071835383.db2.gz CIMZVEOFQCKYKC-KBPBESRZSA-N 1 1 429.481 0.446 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3C(N)=O)n2)c1C ZINC000435051415 1071835209 /nfs/dbraw/zinc/83/52/09/1071835209.db2.gz CIMZVEOFQCKYKC-KGLIPLIRSA-N 1 1 429.481 0.446 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C(N)=O)n2)c1C ZINC000435051416 1071835443 /nfs/dbraw/zinc/83/54/43/1071835443.db2.gz CIMZVEOFQCKYKC-UONOGXRCSA-N 1 1 429.481 0.446 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3C(N)=O)n2)c1C ZINC000435051417 1071835293 /nfs/dbraw/zinc/83/52/93/1071835293.db2.gz CIMZVEOFQCKYKC-ZIAGYGMSSA-N 1 1 429.481 0.446 20 0 IBADMO CCN1CCN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)[C@@H](C)C1=O ZINC000435057839 1073337153 /nfs/dbraw/zinc/33/71/53/1073337153.db2.gz LINKTOMVJQVOQI-AWEZNQCLSA-N 1 1 429.481 0.365 20 0 IBADMO CCN1CCN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)[C@H](C)C1=O ZINC000435057842 1071835240 /nfs/dbraw/zinc/83/52/40/1071835240.db2.gz LINKTOMVJQVOQI-CQSZACIVSA-N 1 1 429.481 0.365 20 0 IBADMO COCCCOC1CN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1 ZINC000435059884 1071835435 /nfs/dbraw/zinc/83/54/35/1071835435.db2.gz QVKBJXJMPPHFEE-UHFFFAOYSA-N 1 1 432.481 0.549 20 0 IBADMO CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000435069918 1071835850 /nfs/dbraw/zinc/83/58/50/1071835850.db2.gz JNFUKGZHPUUOFX-IBGZPJMESA-N 1 1 434.453 -0.284 20 0 IBADMO CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000435069919 1071835743 /nfs/dbraw/zinc/83/57/43/1071835743.db2.gz JNFUKGZHPUUOFX-LJQANCHMSA-N 1 1 434.453 -0.284 20 0 IBADMO CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000435076483 1073332632 /nfs/dbraw/zinc/33/26/32/1073332632.db2.gz IGPBGQDQHXGLLE-HNNXBMFYSA-N 1 1 429.481 0.412 20 0 IBADMO CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000435076484 1073332752 /nfs/dbraw/zinc/33/27/52/1073332752.db2.gz IGPBGQDQHXGLLE-OAHLLOKOSA-N 1 1 429.481 0.412 20 0 IBADMO COc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000435093528 1071836625 /nfs/dbraw/zinc/83/66/25/1071836625.db2.gz FDFWPDRQCRWERQ-HNNXBMFYSA-N 1 1 440.522 -0.135 20 0 IBADMO COc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000435093529 1071836532 /nfs/dbraw/zinc/83/65/32/1071836532.db2.gz FDFWPDRQCRWERQ-OAHLLOKOSA-N 1 1 440.522 -0.135 20 0 IBADMO COCCn1ccc(NC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000435093537 1071836501 /nfs/dbraw/zinc/83/65/01/1071836501.db2.gz FIANXKKQLVTOID-UHFFFAOYSA-N 1 1 428.493 0.423 20 0 IBADMO COCCO[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1 ZINC000435094137 1073334022 /nfs/dbraw/zinc/33/40/22/1073334022.db2.gz AHIIOSORZPCVGW-HNNXBMFYSA-N 1 1 432.481 0.549 20 0 IBADMO COCCO[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1 ZINC000435094138 1071837020 /nfs/dbraw/zinc/83/70/20/1071837020.db2.gz AHIIOSORZPCVGW-OAHLLOKOSA-N 1 1 432.481 0.549 20 0 IBADMO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)ccc1OC ZINC000435095629 1071837077 /nfs/dbraw/zinc/83/70/77/1071837077.db2.gz RPKCDMLGNRLXPQ-UHFFFAOYSA-N 1 1 428.511 -0.278 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCO[C@@]4(CCOC4)C3)n2)c1C ZINC000435095879 1071837294 /nfs/dbraw/zinc/83/72/94/1071837294.db2.gz JNKCUVFRVHCPBU-FQEVSTJZSA-N 1 1 430.465 0.303 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCO[C@]4(CCOC4)C3)n2)c1C ZINC000435095881 1071837048 /nfs/dbraw/zinc/83/70/48/1071837048.db2.gz JNKCUVFRVHCPBU-HXUWFJFHSA-N 1 1 430.465 0.303 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)n2)c1C ZINC000435096656 1071837239 /nfs/dbraw/zinc/83/72/39/1071837239.db2.gz NVCBOEJQFFMNPL-HNNXBMFYSA-N 1 1 429.481 -0.172 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)n2)c1C ZINC000435096657 1071837356 /nfs/dbraw/zinc/83/73/56/1071837356.db2.gz NVCBOEJQFFMNPL-OAHLLOKOSA-N 1 1 429.481 -0.172 20 0 IBADMO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1 ZINC000435102432 1071837987 /nfs/dbraw/zinc/83/79/87/1071837987.db2.gz HNPGHUBKSMKHCS-CYBMUJFWSA-N 1 1 430.469 -0.185 20 0 IBADMO CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1 ZINC000435102433 1071838097 /nfs/dbraw/zinc/83/80/97/1071838097.db2.gz HNPGHUBKSMKHCS-ZDUSSCGKSA-N 1 1 430.469 -0.185 20 0 IBADMO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000435102875 1071838585 /nfs/dbraw/zinc/83/85/85/1071838585.db2.gz JYQGJFNTLLQIRY-CABCVRRESA-N 1 1 446.464 -0.190 20 0 IBADMO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000435102876 1071838701 /nfs/dbraw/zinc/83/87/01/1071838701.db2.gz JYQGJFNTLLQIRY-GJZGRUSLSA-N 1 1 446.464 -0.190 20 0 IBADMO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000435102877 1071838627 /nfs/dbraw/zinc/83/86/27/1071838627.db2.gz JYQGJFNTLLQIRY-HUUCEWRRSA-N 1 1 446.464 -0.190 20 0 IBADMO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000435102878 1071838751 /nfs/dbraw/zinc/83/87/51/1071838751.db2.gz JYQGJFNTLLQIRY-LSDHHAIUSA-N 1 1 446.464 -0.190 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCN(C[C@H](C)O)CC3)n2)c1C ZINC000435103005 1071838685 /nfs/dbraw/zinc/83/86/85/1071838685.db2.gz XJPIDNLBHKLPSV-AWEZNQCLSA-N 1 1 431.497 -0.190 20 0 IBADMO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NCC[N@H+]3CCCOCC3)n2)c1C ZINC000435104145 1071838781 /nfs/dbraw/zinc/83/87/81/1071838781.db2.gz DNXXEXCJZKGLIU-UHFFFAOYSA-N 1 1 431.497 0.124 20 0 IBADMO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NCC[N@@H+]3CCCOCC3)n2)c1C ZINC000435104145 1071838771 /nfs/dbraw/zinc/83/87/71/1071838771.db2.gz DNXXEXCJZKGLIU-UHFFFAOYSA-N 1 1 431.497 0.124 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCN(CCO)[C@@H](C)C3)n2)c1C ZINC000435107507 1071839296 /nfs/dbraw/zinc/83/92/96/1071839296.db2.gz UUTVPYODXGBIMK-AWEZNQCLSA-N 1 1 431.497 -0.190 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCN(CCO)[C@H](C)C3)n2)c1C ZINC000435107508 1071839358 /nfs/dbraw/zinc/83/93/58/1071839358.db2.gz UUTVPYODXGBIMK-CQSZACIVSA-N 1 1 431.497 -0.190 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCc3cnc(C)[nH]c3=O)n2)c1C ZINC000435108320 1071839223 /nfs/dbraw/zinc/83/92/23/1071839223.db2.gz YNYLMHYUABSWDA-UHFFFAOYSA-N 1 1 426.437 0.406 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)n2)c1C ZINC000435110339 1071840046 /nfs/dbraw/zinc/84/00/46/1071840046.db2.gz IXZMVLRGFCNJFL-GXTWGEPZSA-N 1 1 429.481 0.398 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)n2)c1C ZINC000435110340 1071839436 /nfs/dbraw/zinc/83/94/36/1071839436.db2.gz IXZMVLRGFCNJFL-JSGCOSHPSA-N 1 1 429.481 0.398 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)n2)c1C ZINC000435110341 1071839927 /nfs/dbraw/zinc/83/99/27/1071839927.db2.gz IXZMVLRGFCNJFL-OCCSQVGLSA-N 1 1 429.481 0.398 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)n2)c1C ZINC000435110342 1071839986 /nfs/dbraw/zinc/83/99/86/1071839986.db2.gz IXZMVLRGFCNJFL-TZMCWYRMSA-N 1 1 429.481 0.398 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCN(C[C@@H](C)O)CC3)n2)c1C ZINC000435110678 1071839869 /nfs/dbraw/zinc/83/98/69/1071839869.db2.gz XJPIDNLBHKLPSV-CQSZACIVSA-N 1 1 431.497 -0.190 20 0 IBADMO CCOC(=O)CNC(=O)C1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000435169444 1071843823 /nfs/dbraw/zinc/84/38/23/1071843823.db2.gz VTQKHHRNHHJWQD-INIZCTEOSA-N 1 1 425.530 -0.325 20 0 IBADMO CCOC(=O)CNC(=O)C1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000435169445 1071843810 /nfs/dbraw/zinc/84/38/10/1071843810.db2.gz VTQKHHRNHHJWQD-MRXNPFEDSA-N 1 1 425.530 -0.325 20 0 IBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@@H]1CCCC(=O)N1 ZINC000435202675 1071845757 /nfs/dbraw/zinc/84/57/57/1071845757.db2.gz SMSCXZMVUSABLK-HNNXBMFYSA-N 1 1 431.493 -0.194 20 0 IBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@H]1CCCC(=O)N1 ZINC000435202676 1071845785 /nfs/dbraw/zinc/84/57/85/1071845785.db2.gz SMSCXZMVUSABLK-OAHLLOKOSA-N 1 1 431.493 -0.194 20 0 IBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@]1(O)CCO[C@H]1C ZINC000435207622 1071848283 /nfs/dbraw/zinc/84/82/83/1071848283.db2.gz SCHOYOOJQPPYOM-LHSJRXKWSA-N 1 1 434.493 -0.323 20 0 IBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@@]1(O)CCO[C@H]1C ZINC000435207624 1071848240 /nfs/dbraw/zinc/84/82/40/1071848240.db2.gz SCHOYOOJQPPYOM-QKKBWIMNSA-N 1 1 434.493 -0.323 20 0 IBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@]1(O)CCO[C@@H]1C ZINC000435207626 1071848345 /nfs/dbraw/zinc/84/83/45/1071848345.db2.gz SCHOYOOJQPPYOM-SPLOXXLWSA-N 1 1 434.493 -0.323 20 0 IBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@@]1(O)CCO[C@@H]1C ZINC000435207628 1071848406 /nfs/dbraw/zinc/84/84/06/1071848406.db2.gz SCHOYOOJQPPYOM-SZNDQCEHSA-N 1 1 434.493 -0.323 20 0 IBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@]3(O)CCO[C@H]3C)cc2)CC1 ZINC000435219764 1071846983 /nfs/dbraw/zinc/84/69/83/1071846983.db2.gz HWILMINKOXGSFD-AOMKIAJQSA-N 1 1 432.521 -0.012 20 0 IBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@]3(O)CCO[C@H]3C)cc2)CC1 ZINC000435219765 1071847169 /nfs/dbraw/zinc/84/71/69/1071847169.db2.gz HWILMINKOXGSFD-KSFYIVLOSA-N 1 1 432.521 -0.012 20 0 IBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@]3(O)CCO[C@@H]3C)cc2)CC1 ZINC000435219766 1071847150 /nfs/dbraw/zinc/84/71/50/1071847150.db2.gz HWILMINKOXGSFD-OPAMFIHVSA-N 1 1 432.521 -0.012 20 0 IBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@]3(O)CCO[C@@H]3C)cc2)CC1 ZINC000435219767 1071847733 /nfs/dbraw/zinc/84/77/33/1071847733.db2.gz HWILMINKOXGSFD-ZHRRBRCNSA-N 1 1 432.521 -0.012 20 0 IBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000435237734 1071851747 /nfs/dbraw/zinc/85/17/47/1071851747.db2.gz ODQUEUJJASUPSF-JOCHJYFZSA-N 1 1 443.504 -0.240 20 0 IBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000435237735 1071851819 /nfs/dbraw/zinc/85/18/19/1071851819.db2.gz ODQUEUJJASUPSF-QFIPXVFZSA-N 1 1 443.504 -0.240 20 0 IBADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N3CC[C@@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000435242318 1071854438 /nfs/dbraw/zinc/85/44/38/1071854438.db2.gz KJILCAUTVQYKMM-JOCHJYFZSA-N 1 1 429.521 -0.010 20 0 IBADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N3CC[C@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000435242319 1071854721 /nfs/dbraw/zinc/85/47/21/1071854721.db2.gz KJILCAUTVQYKMM-QFIPXVFZSA-N 1 1 429.521 -0.010 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N(C)[C@@H](C)CN3CCOCC3)n2)c1C ZINC000435246897 1071853293 /nfs/dbraw/zinc/85/32/93/1071853293.db2.gz UFAVPHITXPPMIZ-HNNXBMFYSA-N 1 1 445.524 0.464 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N(C)[C@H](C)CN3CCOCC3)n2)c1C ZINC000435246898 1071853355 /nfs/dbraw/zinc/85/33/55/1071853355.db2.gz UFAVPHITXPPMIZ-OAHLLOKOSA-N 1 1 445.524 0.464 20 0 IBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000435252470 1071853088 /nfs/dbraw/zinc/85/30/88/1071853088.db2.gz SJFPIAZVEYVROQ-JOCHJYFZSA-N 1 1 427.505 -0.320 20 0 IBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000435252471 1071853903 /nfs/dbraw/zinc/85/39/03/1071853903.db2.gz SJFPIAZVEYVROQ-QFIPXVFZSA-N 1 1 427.505 -0.320 20 0 IBADMO 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Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000442010530 1072386174 /nfs/dbraw/zinc/38/61/74/1072386174.db2.gz HWFVJRLJSMDEMV-HNNXBMFYSA-N 1 1 440.512 -0.432 20 0 IBADMO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000442010531 1072386248 /nfs/dbraw/zinc/38/62/48/1072386248.db2.gz HWFVJRLJSMDEMV-OAHLLOKOSA-N 1 1 440.512 -0.432 20 0 IBADMO CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000442012335 1072386781 /nfs/dbraw/zinc/38/67/81/1072386781.db2.gz GASWTTYTITTWEF-AWEZNQCLSA-N 1 1 433.509 -0.138 20 0 IBADMO CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000442012337 1072386749 /nfs/dbraw/zinc/38/67/49/1072386749.db2.gz GASWTTYTITTWEF-CQSZACIVSA-N 1 1 433.509 -0.138 20 0 IBADMO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)ccc1C ZINC000442013193 1072386637 /nfs/dbraw/zinc/38/66/37/1072386637.db2.gz QUQBALZKVGXZPE-GOSISDBHSA-N 1 1 428.511 -0.959 20 0 IBADMO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)ccc1C ZINC000442013195 1072386834 /nfs/dbraw/zinc/38/68/34/1072386834.db2.gz QUQBALZKVGXZPE-SFHVURJKSA-N 1 1 428.511 -0.959 20 0 IBADMO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442014426 1072387256 /nfs/dbraw/zinc/38/72/56/1072387256.db2.gz SWFPWLJBRYHBCW-GOSISDBHSA-N 1 1 428.511 -0.925 20 0 IBADMO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000442014427 1072387217 /nfs/dbraw/zinc/38/72/17/1072387217.db2.gz SWFPWLJBRYHBCW-SFHVURJKSA-N 1 1 428.511 -0.925 20 0 IBADMO CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000442014501 1072387754 /nfs/dbraw/zinc/38/77/54/1072387754.db2.gz LLKLDQJKFJHEKJ-GOSISDBHSA-N 1 1 428.511 -0.925 20 0 IBADMO CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000442014502 1072387702 /nfs/dbraw/zinc/38/77/02/1072387702.db2.gz LLKLDQJKFJHEKJ-SFHVURJKSA-N 1 1 428.511 -0.925 20 0 IBADMO 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CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442021007 1072389251 /nfs/dbraw/zinc/38/92/51/1072389251.db2.gz HJIUJDSNTBPVCE-IBGZPJMESA-N 1 1 442.538 -0.489 20 0 IBADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000442021009 1072389199 /nfs/dbraw/zinc/38/91/99/1072389199.db2.gz HJIUJDSNTBPVCE-LJQANCHMSA-N 1 1 442.538 -0.489 20 0 IBADMO COc1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)ccc1N1CCCC1=O ZINC000442021707 1072389733 /nfs/dbraw/zinc/38/97/33/1072389733.db2.gz IBBCKKQXXOCKHJ-NRFANRHFSA-N 1 1 434.493 -0.040 20 0 IBADMO COc1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)ccc1N1CCCC1=O ZINC000442021712 1072389766 /nfs/dbraw/zinc/38/97/66/1072389766.db2.gz IBBCKKQXXOCKHJ-OAQYLSRUSA-N 1 1 434.493 -0.040 20 0 IBADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)c2)C[C@@H](C)O1 ZINC000442022556 1072390174 /nfs/dbraw/zinc/39/01/74/1072390174.db2.gz BNJRFFRPIKKNCS-CKEIUWERSA-N 1 1 429.477 -0.003 20 0 IBADMO 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COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000442059054 1072396991 /nfs/dbraw/zinc/39/69/91/1072396991.db2.gz IJPORNRAXKUKTI-AWEZNQCLSA-N 1 1 434.493 -0.169 20 0 IBADMO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000442059054 1072396984 /nfs/dbraw/zinc/39/69/84/1072396984.db2.gz IJPORNRAXKUKTI-AWEZNQCLSA-N 1 1 434.493 -0.169 20 0 IBADMO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000442059056 1072396805 /nfs/dbraw/zinc/39/68/05/1072396805.db2.gz IJPORNRAXKUKTI-CQSZACIVSA-N 1 1 434.493 -0.169 20 0 IBADMO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000442059056 1072396792 /nfs/dbraw/zinc/39/67/92/1072396792.db2.gz IJPORNRAXKUKTI-CQSZACIVSA-N 1 1 434.493 -0.169 20 0 IBADMO CCc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000442059958 1072396917 /nfs/dbraw/zinc/39/69/17/1072396917.db2.gz ZTCJLHWNXIQYHT-GOSISDBHSA-N 1 1 428.511 -0.966 20 0 IBADMO 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C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000442080380 1072399834 /nfs/dbraw/zinc/39/98/34/1072399834.db2.gz MGIGDUJZSNJQOX-AWEZNQCLSA-N 1 1 426.539 -0.022 20 0 IBADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000442080380 1072399824 /nfs/dbraw/zinc/39/98/24/1072399824.db2.gz MGIGDUJZSNJQOX-AWEZNQCLSA-N 1 1 426.539 -0.022 20 0 IBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000442080385 1072399871 /nfs/dbraw/zinc/39/98/71/1072399871.db2.gz MGIGDUJZSNJQOX-CQSZACIVSA-N 1 1 426.539 -0.022 20 0 IBADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000442080385 1072399865 /nfs/dbraw/zinc/39/98/65/1072399865.db2.gz MGIGDUJZSNJQOX-CQSZACIVSA-N 1 1 426.539 -0.022 20 0 IBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000442097344 1072401395 /nfs/dbraw/zinc/40/13/95/1072401395.db2.gz ZOIDUDODUDTQJA-INIZCTEOSA-N 1 1 449.556 -0.077 20 0 IBADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000442097344 1072401390 /nfs/dbraw/zinc/40/13/90/1072401390.db2.gz ZOIDUDODUDTQJA-INIZCTEOSA-N 1 1 449.556 -0.077 20 0 IBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000442097345 1072401492 /nfs/dbraw/zinc/40/14/92/1072401492.db2.gz ZOIDUDODUDTQJA-MRXNPFEDSA-N 1 1 449.556 -0.077 20 0 IBADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000442097345 1072401485 /nfs/dbraw/zinc/40/14/85/1072401485.db2.gz ZOIDUDODUDTQJA-MRXNPFEDSA-N 1 1 449.556 -0.077 20 0 IBADMO O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000442106706 1072402033 /nfs/dbraw/zinc/40/20/33/1072402033.db2.gz CKCMOMZYDPVWCT-AOMKIAJQSA-N 1 1 443.504 -0.006 20 0 IBADMO O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000442106709 1072402063 /nfs/dbraw/zinc/40/20/63/1072402063.db2.gz CKCMOMZYDPVWCT-KSFYIVLOSA-N 1 1 443.504 -0.006 20 0 IBADMO O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000442106711 1072402204 /nfs/dbraw/zinc/40/22/04/1072402204.db2.gz CKCMOMZYDPVWCT-OPAMFIHVSA-N 1 1 443.504 -0.006 20 0 IBADMO O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000442106713 1072402215 /nfs/dbraw/zinc/40/22/15/1072402215.db2.gz CKCMOMZYDPVWCT-ZHRRBRCNSA-N 1 1 443.504 -0.006 20 0 IBADMO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[N@@H+](C)CCCOC)CC2 ZINC000442117679 1072403917 /nfs/dbraw/zinc/40/39/17/1072403917.db2.gz BQCAEIMOCZVWJF-UHFFFAOYSA-N 1 1 426.539 -0.042 20 0 IBADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[N@H+]1C ZINC000442120643 1072403875 /nfs/dbraw/zinc/40/38/75/1072403875.db2.gz DSUCLKVLZXOLOZ-DZGCQCFKSA-N 1 1 437.522 -0.656 20 0 IBADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[N@H+]1C ZINC000442120644 1072403825 /nfs/dbraw/zinc/40/38/25/1072403825.db2.gz DSUCLKVLZXOLOZ-HIFRSBDPSA-N 1 1 437.522 -0.656 20 0 IBADMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[N@H+]1C ZINC000442120645 1072403865 /nfs/dbraw/zinc/40/38/65/1072403865.db2.gz DSUCLKVLZXOLOZ-UKRRQHHQSA-N 1 1 437.522 -0.656 20 0 IBADMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[N@H+]1C ZINC000442120646 1072403987 /nfs/dbraw/zinc/40/39/87/1072403987.db2.gz DSUCLKVLZXOLOZ-ZFWWWQNUSA-N 1 1 437.522 -0.656 20 0 IBADMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000442138994 1072404478 /nfs/dbraw/zinc/40/44/78/1072404478.db2.gz ZXEBOQYQTFTXIX-UHFFFAOYSA-N 1 1 442.538 -0.270 20 0 IBADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000442161146 1072406408 /nfs/dbraw/zinc/40/64/08/1072406408.db2.gz ZGPXKXNDBADJFE-IBGZPJMESA-N 1 1 448.520 -0.276 20 0 IBADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000442161149 1072406477 /nfs/dbraw/zinc/40/64/77/1072406477.db2.gz ZGPXKXNDBADJFE-LJQANCHMSA-N 1 1 448.520 -0.276 20 0 IBADMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000442163381 1072405770 /nfs/dbraw/zinc/40/57/70/1072405770.db2.gz PZHNZLKYOWPXRB-UHFFFAOYSA-N 1 1 426.539 -0.056 20 0 IBADMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442174932 1072407029 /nfs/dbraw/zinc/40/70/29/1072407029.db2.gz SDMUEDXLDXCFTB-UHFFFAOYSA-N 1 1 442.538 -0.270 20 0 IBADMO CN(C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000442182712 1072407898 /nfs/dbraw/zinc/40/78/98/1072407898.db2.gz IZFNCOMDTMHZME-DLBZAZTESA-N 1 1 431.493 -0.496 20 0 IBADMO CN(C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000442182730 1072407871 /nfs/dbraw/zinc/40/78/71/1072407871.db2.gz IZFNCOMDTMHZME-IAGOWNOFSA-N 1 1 431.493 -0.496 20 0 IBADMO CN(C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000442182731 1072407828 /nfs/dbraw/zinc/40/78/28/1072407828.db2.gz IZFNCOMDTMHZME-IRXDYDNUSA-N 1 1 431.493 -0.496 20 0 IBADMO CN(C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000442182733 1072407912 /nfs/dbraw/zinc/40/79/12/1072407912.db2.gz IZFNCOMDTMHZME-SJORKVTESA-N 1 1 431.493 -0.496 20 0 IBADMO CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)[C@H]1CCNC1=O ZINC000442254009 1072411187 /nfs/dbraw/zinc/41/11/87/1072411187.db2.gz IGKAVALYTPHADW-INIZCTEOSA-N 1 1 437.522 -0.702 20 0 IBADMO CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)[C@H]1CCNC1=O ZINC000442254009 1072411182 /nfs/dbraw/zinc/41/11/82/1072411182.db2.gz IGKAVALYTPHADW-INIZCTEOSA-N 1 1 437.522 -0.702 20 0 IBADMO CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)[C@@H]1CCNC1=O ZINC000442254013 1072411285 /nfs/dbraw/zinc/41/12/85/1072411285.db2.gz IGKAVALYTPHADW-MRXNPFEDSA-N 1 1 437.522 -0.702 20 0 IBADMO CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)[C@@H]1CCNC1=O ZINC000442254013 1072411281 /nfs/dbraw/zinc/41/12/81/1072411281.db2.gz IGKAVALYTPHADW-MRXNPFEDSA-N 1 1 437.522 -0.702 20 0 IBADMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000442255317 1072415644 /nfs/dbraw/zinc/41/56/44/1072415644.db2.gz QPOUWYRRFJENNO-KBPBESRZSA-N 1 1 437.522 -0.703 20 0 IBADMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000442255317 1072415640 /nfs/dbraw/zinc/41/56/40/1072415640.db2.gz QPOUWYRRFJENNO-KBPBESRZSA-N 1 1 437.522 -0.703 20 0 IBADMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[N@@H+]1C ZINC000442255318 1072415572 /nfs/dbraw/zinc/41/55/72/1072415572.db2.gz QPOUWYRRFJENNO-KGLIPLIRSA-N 1 1 437.522 -0.703 20 0 IBADMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[N@H+]1C ZINC000442255318 1072415569 /nfs/dbraw/zinc/41/55/69/1072415569.db2.gz QPOUWYRRFJENNO-KGLIPLIRSA-N 1 1 437.522 -0.703 20 0 IBADMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000442255686 1072415620 /nfs/dbraw/zinc/41/56/20/1072415620.db2.gz QPOUWYRRFJENNO-UONOGXRCSA-N 1 1 437.522 -0.703 20 0 IBADMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000442255686 1072415617 /nfs/dbraw/zinc/41/56/17/1072415617.db2.gz QPOUWYRRFJENNO-UONOGXRCSA-N 1 1 437.522 -0.703 20 0 IBADMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000442255688 1072415693 /nfs/dbraw/zinc/41/56/93/1072415693.db2.gz QPOUWYRRFJENNO-ZIAGYGMSSA-N 1 1 437.522 -0.703 20 0 IBADMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000442255688 1072415684 /nfs/dbraw/zinc/41/56/84/1072415684.db2.gz QPOUWYRRFJENNO-ZIAGYGMSSA-N 1 1 437.522 -0.703 20 0 IBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442261824 1072412472 /nfs/dbraw/zinc/41/24/72/1072412472.db2.gz FMPPRQLSXYAOTG-KRWDZBQOSA-N 1 1 431.493 -0.888 20 0 IBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442261826 1072412446 /nfs/dbraw/zinc/41/24/46/1072412446.db2.gz FMPPRQLSXYAOTG-QGZVFWFLSA-N 1 1 431.493 -0.888 20 0 IBADMO CSc1nnnn1-c1cccc(NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000442263054 1072412498 /nfs/dbraw/zinc/41/24/98/1072412498.db2.gz ICDABPNISMNAKB-UHFFFAOYSA-N 1 1 446.537 -0.009 20 0 IBADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442269476 1072413700 /nfs/dbraw/zinc/41/37/00/1072413700.db2.gz YTQNFTHZQDRKJM-IBGZPJMESA-N 1 1 447.536 -0.649 20 0 IBADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442269486 1072413744 /nfs/dbraw/zinc/41/37/44/1072413744.db2.gz YTQNFTHZQDRKJM-LJQANCHMSA-N 1 1 447.536 -0.649 20 0 IBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442286687 1072418490 /nfs/dbraw/zinc/41/84/90/1072418490.db2.gz UMKNHJBZEGVHQH-GOSISDBHSA-N 1 1 445.520 -0.959 20 0 IBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442286688 1072418501 /nfs/dbraw/zinc/41/85/01/1072418501.db2.gz UMKNHJBZEGVHQH-SFHVURJKSA-N 1 1 445.520 -0.959 20 0 IBADMO 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COc1ccc(S(=O)(=O)NCCC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1OC ZINC000467506026 1074537392 /nfs/dbraw/zinc/53/73/92/1074537392.db2.gz YCQIEWSLLAPUAH-IBGZPJMESA-N 1 1 445.538 -0.428 20 0 IBADMO COc1ccc(S(=O)(=O)NCCC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1OC ZINC000467506027 1074537342 /nfs/dbraw/zinc/53/73/42/1074537342.db2.gz YCQIEWSLLAPUAH-LJQANCHMSA-N 1 1 445.538 -0.428 20 0 IBADMO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)CCC[NH+]2CCN(C)CC2)s1 ZINC000467544243 1074538359 /nfs/dbraw/zinc/53/83/59/1074538359.db2.gz UTPXEYRRUFPSLL-UHFFFAOYSA-N 1 1 445.611 -0.242 20 0 IBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000467545026 1074538996 /nfs/dbraw/zinc/53/89/96/1074538996.db2.gz YOWCETMVHWBQBM-INIZCTEOSA-N 1 1 437.566 -0.217 20 0 IBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000467545027 1074538841 /nfs/dbraw/zinc/53/88/41/1074538841.db2.gz YOWCETMVHWBQBM-MRXNPFEDSA-N 1 1 437.566 -0.217 20 0 IBADMO O=C(NCCC[NH+]1CCOCC1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000467551269 1074538871 /nfs/dbraw/zinc/53/88/71/1074538871.db2.gz ALOCCFSFWPPBDI-UHFFFAOYSA-N 1 1 440.522 -0.148 20 0 IBADMO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n(-c2ncccn2)n1 ZINC000467581645 1074539288 /nfs/dbraw/zinc/53/92/88/1074539288.db2.gz ZDVOQNYLYLAMSK-HNNXBMFYSA-N 1 1 426.481 -0.326 20 0 IBADMO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n(-c2ncccn2)n1 ZINC000467581646 1074539322 /nfs/dbraw/zinc/53/93/22/1074539322.db2.gz ZDVOQNYLYLAMSK-OAHLLOKOSA-N 1 1 426.481 -0.326 20 0 IBADMO CC(C)c1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)n(-c2ncccn2)n1 ZINC000467593459 1074539736 /nfs/dbraw/zinc/53/97/36/1074539736.db2.gz ZZRPGFRXRQWOPG-FQEVSTJZSA-N 1 1 431.497 -0.076 20 0 IBADMO CC(C)c1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)n(-c2ncccn2)n1 ZINC000467593460 1074539785 /nfs/dbraw/zinc/53/97/85/1074539785.db2.gz ZZRPGFRXRQWOPG-HXUWFJFHSA-N 1 1 431.497 -0.076 20 0 IBADMO 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C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000467634195 1074544143 /nfs/dbraw/zinc/54/41/43/1074544143.db2.gz TURYFSMXGHORJK-UHFFFAOYSA-N 1 1 425.511 -0.381 20 0 IBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000467634574 1074544020 /nfs/dbraw/zinc/54/40/20/1074544020.db2.gz ASUWLGMSROJILC-UHFFFAOYSA-N 1 1 430.509 -0.452 20 0 IBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000467637282 1074544407 /nfs/dbraw/zinc/54/44/07/1074544407.db2.gz AOSWJDBVTPFRSA-AWEZNQCLSA-N 1 1 439.538 -0.087 20 0 IBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000467637284 1074544674 /nfs/dbraw/zinc/54/46/74/1074544674.db2.gz AOSWJDBVTPFRSA-CQSZACIVSA-N 1 1 439.538 -0.087 20 0 IBADMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000467638288 1072824567 /nfs/dbraw/zinc/82/45/67/1072824567.db2.gz WJLKSWYUXCACFW-GJZGRUSLSA-N 1 1 447.579 -0.061 20 0 IBADMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000467638289 1074544454 /nfs/dbraw/zinc/54/44/54/1074544454.db2.gz WJLKSWYUXCACFW-LSDHHAIUSA-N 1 1 447.579 -0.061 20 0 IBADMO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000467642550 1074544588 /nfs/dbraw/zinc/54/45/88/1074544588.db2.gz XYKJFQILEUAZGG-UHFFFAOYSA-N 1 1 427.527 -0.087 20 0 IBADMO C[NH+](C)CCN(C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000467642845 1074544662 /nfs/dbraw/zinc/54/46/62/1074544662.db2.gz BEABHMUEOSNMCF-MSOLQXFVSA-N 1 1 444.598 -0.723 20 0 IBADMO C[NH+](C)CCN(C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000467642846 1074544491 /nfs/dbraw/zinc/54/44/91/1074544491.db2.gz BEABHMUEOSNMCF-QZTJIDSGSA-N 1 1 444.598 -0.723 20 0 IBADMO C[NH+](C)CCN(C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000467642847 1074544577 /nfs/dbraw/zinc/54/45/77/1074544577.db2.gz BEABHMUEOSNMCF-ROUUACIJSA-N 1 1 444.598 -0.723 20 0 IBADMO C[NH+](C)CCN(C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000467642848 1074544639 /nfs/dbraw/zinc/54/46/39/1074544639.db2.gz BEABHMUEOSNMCF-ZWKOTPCHSA-N 1 1 444.598 -0.723 20 0 IBADMO C[NH+](C)CCN(C(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000467643777 1074544605 /nfs/dbraw/zinc/54/46/05/1074544605.db2.gz NMNSOLSQKNDSOE-JTQLQIEISA-N 1 1 437.316 -0.711 20 0 IBADMO C[NH+](C)CCN(C(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000467643778 1074545030 /nfs/dbraw/zinc/54/50/30/1074545030.db2.gz NMNSOLSQKNDSOE-SNVBAGLBSA-N 1 1 437.316 -0.711 20 0 IBADMO CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000467644090 1073080807 /nfs/dbraw/zinc/08/08/07/1073080807.db2.gz RKBSJHIDRXGWIC-UHFFFAOYSA-N 1 1 425.511 -0.381 20 0 IBADMO CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)cc21 ZINC000467644790 1074544881 /nfs/dbraw/zinc/54/48/81/1074544881.db2.gz BFXKQXKUEBJDJM-UHFFFAOYSA-N 1 1 430.509 -0.003 20 0 IBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000467644806 1074544915 /nfs/dbraw/zinc/54/49/15/1074544915.db2.gz CWEJSBMGHNTRLZ-DZGCQCFKSA-N 1 1 449.599 -0.719 20 0 IBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000467644807 1074544871 /nfs/dbraw/zinc/54/48/71/1074544871.db2.gz CWEJSBMGHNTRLZ-HIFRSBDPSA-N 1 1 449.599 -0.719 20 0 IBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000467644810 1074545003 /nfs/dbraw/zinc/54/50/03/1074545003.db2.gz CWEJSBMGHNTRLZ-UKRRQHHQSA-N 1 1 449.599 -0.719 20 0 IBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000467644812 1074544966 /nfs/dbraw/zinc/54/49/66/1074544966.db2.gz CWEJSBMGHNTRLZ-ZFWWWQNUSA-N 1 1 449.599 -0.719 20 0 IBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000467645388 1074544983 /nfs/dbraw/zinc/54/49/83/1074544983.db2.gz HKCXMTXFVCYDGM-UHFFFAOYSA-N 1 1 444.536 -0.108 20 0 IBADMO Cc1cc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000467646756 1074545014 /nfs/dbraw/zinc/54/50/14/1074545014.db2.gz MSSAJHLZXXRRGX-CYBMUJFWSA-N 1 1 437.522 -0.868 20 0 IBADMO Cc1cc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000467646760 1074544929 /nfs/dbraw/zinc/54/49/29/1074544929.db2.gz MSSAJHLZXXRRGX-ZDUSSCGKSA-N 1 1 437.522 -0.868 20 0 IBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000467647094 1074544955 /nfs/dbraw/zinc/54/49/55/1074544955.db2.gz OUORTKYKQWFUSQ-KRWDZBQOSA-N 1 1 431.493 -0.025 20 0 IBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000467647095 1074544945 /nfs/dbraw/zinc/54/49/45/1074544945.db2.gz OUORTKYKQWFUSQ-QGZVFWFLSA-N 1 1 431.493 -0.025 20 0 IBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)cc1 ZINC000467647731 1074544893 /nfs/dbraw/zinc/54/48/93/1074544893.db2.gz RYNKGLNIRQMIDB-UHFFFAOYSA-N 1 1 439.538 -0.039 20 0 IBADMO CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000467648528 1074544995 /nfs/dbraw/zinc/54/49/95/1074544995.db2.gz XRJREJOKKBUNFF-UHFFFAOYSA-N 1 1 432.525 -0.206 20 0 IBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000467651202 1074545393 /nfs/dbraw/zinc/54/53/93/1074545393.db2.gz SZXFEGLZTRJDIJ-KSZLIROESA-N 1 1 428.599 -0.104 20 0 IBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000467651203 1073151564 /nfs/dbraw/zinc/15/15/64/1073151564.db2.gz SZXFEGLZTRJDIJ-KURKYZTESA-N 1 1 428.599 -0.104 20 0 IBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000467651204 1073151576 /nfs/dbraw/zinc/15/15/76/1073151576.db2.gz SZXFEGLZTRJDIJ-KZNAEPCWSA-N 1 1 428.599 -0.104 20 0 IBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000467651205 1073151475 /nfs/dbraw/zinc/15/14/75/1073151475.db2.gz SZXFEGLZTRJDIJ-RCCFBDPRSA-N 1 1 428.599 -0.104 20 0 IBADMO 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IBADMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000483290026 1073444682 /nfs/dbraw/zinc/44/46/82/1073444682.db2.gz FXZQKWOKRNRCSI-APWZRJJASA-N 1 1 441.550 -0.205 20 0 IBADMO C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000483290026 1073444677 /nfs/dbraw/zinc/44/46/77/1073444677.db2.gz FXZQKWOKRNRCSI-APWZRJJASA-N 1 1 441.550 -0.205 20 0 IBADMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000483290028 1073444715 /nfs/dbraw/zinc/44/47/15/1073444715.db2.gz FXZQKWOKRNRCSI-LPHOPBHVSA-N 1 1 441.550 -0.205 20 0 IBADMO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000483290028 1073444713 /nfs/dbraw/zinc/44/47/13/1073444713.db2.gz FXZQKWOKRNRCSI-LPHOPBHVSA-N 1 1 441.550 -0.205 20 0 IBADMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000483290030 1073444637 /nfs/dbraw/zinc/44/46/37/1073444637.db2.gz FXZQKWOKRNRCSI-QFBILLFUSA-N 1 1 441.550 -0.205 20 0 IBADMO C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000483290030 1073444635 /nfs/dbraw/zinc/44/46/35/1073444635.db2.gz FXZQKWOKRNRCSI-QFBILLFUSA-N 1 1 441.550 -0.205 20 0 IBADMO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000483290032 1073444622 /nfs/dbraw/zinc/44/46/22/1073444622.db2.gz FXZQKWOKRNRCSI-VQIMIIECSA-N 1 1 441.550 -0.205 20 0 IBADMO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000483290032 1073444620 /nfs/dbraw/zinc/44/46/20/1073444620.db2.gz FXZQKWOKRNRCSI-VQIMIIECSA-N 1 1 441.550 -0.205 20 0 IBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](CCO)[C@H]3CCO[C@@H]3C)CC2)cc1 ZINC000483298807 1073445542 /nfs/dbraw/zinc/44/55/42/1073445542.db2.gz SSGDXPMYLKPMJJ-APWZRJJASA-N 1 1 441.550 0.000 20 0 IBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](CCO)[C@H]3CCO[C@@H]3C)CC2)cc1 ZINC000483298807 1073445534 /nfs/dbraw/zinc/44/55/34/1073445534.db2.gz SSGDXPMYLKPMJJ-APWZRJJASA-N 1 1 441.550 0.000 20 0 IBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](CCO)[C@H]3CCO[C@H]3C)CC2)cc1 ZINC000483298808 1073445441 /nfs/dbraw/zinc/44/54/41/1073445441.db2.gz SSGDXPMYLKPMJJ-LPHOPBHVSA-N 1 1 441.550 0.000 20 0 IBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](CCO)[C@H]3CCO[C@H]3C)CC2)cc1 ZINC000483298808 1073445435 /nfs/dbraw/zinc/44/54/35/1073445435.db2.gz SSGDXPMYLKPMJJ-LPHOPBHVSA-N 1 1 441.550 0.000 20 0 IBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](CCO)[C@@H]3CCO[C@H]3C)CC2)cc1 ZINC000483298809 1073445420 /nfs/dbraw/zinc/44/54/20/1073445420.db2.gz SSGDXPMYLKPMJJ-QFBILLFUSA-N 1 1 441.550 0.000 20 0 IBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](CCO)[C@@H]3CCO[C@H]3C)CC2)cc1 ZINC000483298809 1073445415 /nfs/dbraw/zinc/44/54/15/1073445415.db2.gz SSGDXPMYLKPMJJ-QFBILLFUSA-N 1 1 441.550 0.000 20 0 IBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](CCO)[C@@H]3CCO[C@@H]3C)CC2)cc1 ZINC000483298810 1073445455 /nfs/dbraw/zinc/44/54/55/1073445455.db2.gz SSGDXPMYLKPMJJ-VQIMIIECSA-N 1 1 441.550 0.000 20 0 IBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](CCO)[C@@H]3CCO[C@@H]3C)CC2)cc1 ZINC000483298810 1073445449 /nfs/dbraw/zinc/44/54/49/1073445449.db2.gz SSGDXPMYLKPMJJ-VQIMIIECSA-N 1 1 441.550 0.000 20 0 IBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)CC1 ZINC000483302132 1073445359 /nfs/dbraw/zinc/44/53/59/1073445359.db2.gz IGPMKHJZQHDMSD-GDBMZVCRSA-N 1 1 430.527 -0.404 20 0 IBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)CC1 ZINC000483302132 1073445353 /nfs/dbraw/zinc/44/53/53/1073445353.db2.gz IGPMKHJZQHDMSD-GDBMZVCRSA-N 1 1 430.527 -0.404 20 0 IBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](CCO)[C@@H]2CCO[C@H]2C)CC1 ZINC000483302145 1073445396 /nfs/dbraw/zinc/44/53/96/1073445396.db2.gz IGPMKHJZQHDMSD-GOEBONIOSA-N 1 1 430.527 -0.404 20 0 IBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)CC1 ZINC000483302145 1073445395 /nfs/dbraw/zinc/44/53/95/1073445395.db2.gz IGPMKHJZQHDMSD-GOEBONIOSA-N 1 1 430.527 -0.404 20 0 IBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](CCO)[C@H]2CCO[C@H]2C)CC1 ZINC000483302147 1073445659 /nfs/dbraw/zinc/44/56/59/1073445659.db2.gz IGPMKHJZQHDMSD-HOCLYGCPSA-N 1 1 430.527 -0.404 20 0 IBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](CCO)[C@H]2CCO[C@H]2C)CC1 ZINC000483302147 1073445654 /nfs/dbraw/zinc/44/56/54/1073445654.db2.gz IGPMKHJZQHDMSD-HOCLYGCPSA-N 1 1 430.527 -0.404 20 0 IBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](CCO)[C@H]2CCO[C@@H]2C)CC1 ZINC000483302149 1073445566 /nfs/dbraw/zinc/44/55/66/1073445566.db2.gz IGPMKHJZQHDMSD-ZBFHGGJFSA-N 1 1 430.527 -0.404 20 0 IBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)CC1 ZINC000483302149 1073445562 /nfs/dbraw/zinc/44/55/62/1073445562.db2.gz IGPMKHJZQHDMSD-ZBFHGGJFSA-N 1 1 430.527 -0.404 20 0 IBADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000483344625 1073447408 /nfs/dbraw/zinc/44/74/08/1073447408.db2.gz CALHPXZDEBDBDI-KRWDZBQOSA-N 1 1 432.521 -0.058 20 0 IBADMO 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CC(C)CN(C(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000483490566 1073448472 /nfs/dbraw/zinc/44/84/72/1073448472.db2.gz MTLFYTAGJFQCBA-ROUUACIJSA-N 1 1 428.599 -0.104 20 0 IBADMO CC(C)CN(C(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000483490567 1073448256 /nfs/dbraw/zinc/44/82/56/1073448256.db2.gz MTLFYTAGJFQCBA-ZWKOTPCHSA-N 1 1 428.599 -0.104 20 0 IBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000483503507 1073449421 /nfs/dbraw/zinc/44/94/21/1073449421.db2.gz JPQGUFHEZDCTNZ-GOSISDBHSA-N 1 1 436.601 -0.716 20 0 IBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000483503510 1073449174 /nfs/dbraw/zinc/44/91/74/1073449174.db2.gz JPQGUFHEZDCTNZ-SFHVURJKSA-N 1 1 436.601 -0.716 20 0 IBADMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000483507679 1073449406 /nfs/dbraw/zinc/44/94/06/1073449406.db2.gz ZGZWHLPDCIUPRS-UHFFFAOYSA-N 1 1 425.511 -0.357 20 0 IBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000483508186 1073449372 /nfs/dbraw/zinc/44/93/72/1073449372.db2.gz KIFPSEPNKOJPHY-KRWDZBQOSA-N 1 1 433.538 -0.196 20 0 IBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000483508187 1073449473 /nfs/dbraw/zinc/44/94/73/1073449473.db2.gz KIFPSEPNKOJPHY-QGZVFWFLSA-N 1 1 433.538 -0.196 20 0 IBADMO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1)[NH+]1CCN(C)CC1 ZINC000483537868 1073452004 /nfs/dbraw/zinc/45/20/04/1073452004.db2.gz QVRWVGGCTCWRRX-GOSISDBHSA-N 1 1 445.520 -0.097 20 0 IBADMO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1)[NH+]1CCN(C)CC1 ZINC000483537870 1073451923 /nfs/dbraw/zinc/45/19/23/1073451923.db2.gz QVRWVGGCTCWRRX-SFHVURJKSA-N 1 1 445.520 -0.097 20 0 IBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C1 ZINC000483548791 1073451447 /nfs/dbraw/zinc/45/14/47/1073451447.db2.gz XSWZFUYCFDNPAT-KRWDZBQOSA-N 1 1 432.477 -0.012 20 0 IBADMO 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CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000494418924 1072633847 /nfs/dbraw/zinc/63/38/47/1072633847.db2.gz PVDXFNBTWPOPFM-MRXNPFEDSA-N 1 1 438.550 -0.142 20 0 IBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000494419731 1072633007 /nfs/dbraw/zinc/63/30/07/1072633007.db2.gz SMUZEHMQRAFEBF-IBGZPJMESA-N 1 1 432.521 -0.059 20 0 IBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000494419732 1072633042 /nfs/dbraw/zinc/63/30/42/1072633042.db2.gz SMUZEHMQRAFEBF-LJQANCHMSA-N 1 1 432.521 -0.059 20 0 IBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000494420558 1072633702 /nfs/dbraw/zinc/63/37/02/1072633702.db2.gz VFSVDNDPQVYYGO-KRWDZBQOSA-N 1 1 438.550 -0.225 20 0 IBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000494420559 1072633550 /nfs/dbraw/zinc/63/35/50/1072633550.db2.gz VFSVDNDPQVYYGO-QGZVFWFLSA-N 1 1 438.550 -0.225 20 0 IBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 ZINC000494424129 1072632523 /nfs/dbraw/zinc/63/25/23/1072632523.db2.gz HVSLORKAHICIEQ-AWEZNQCLSA-N 1 1 442.538 -0.201 20 0 IBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 ZINC000494424135 1072632490 /nfs/dbraw/zinc/63/24/90/1072632490.db2.gz HVSLORKAHICIEQ-CQSZACIVSA-N 1 1 442.538 -0.201 20 0 IBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CC1 ZINC000494438763 1072632906 /nfs/dbraw/zinc/63/29/06/1072632906.db2.gz XXQNPSHQRHVYEJ-KRWDZBQOSA-N 1 1 434.493 -0.628 20 0 IBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CC1 ZINC000494438764 1072632887 /nfs/dbraw/zinc/63/28/87/1072632887.db2.gz XXQNPSHQRHVYEJ-QGZVFWFLSA-N 1 1 434.493 -0.628 20 0 IBADMO C[C@H](O)C[NH+]1CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000494441675 1072634981 /nfs/dbraw/zinc/63/49/81/1072634981.db2.gz ARWCSRRGDQZTMK-KRWDZBQOSA-N 1 1 440.566 -0.678 20 0 IBADMO C[C@H](O)C[NH+]1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000494444313 1072633641 /nfs/dbraw/zinc/63/36/41/1072633641.db2.gz LLXLSLNCOIGLCY-KRWDZBQOSA-N 1 1 440.566 -0.678 20 0 IBADMO CCN(C(=O)CN1CC[NH+](C[C@H](C)O)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000494449408 1072634326 /nfs/dbraw/zinc/63/43/26/1072634326.db2.gz BLYTWIGLUKHYSB-INIZCTEOSA-N 1 1 444.536 -0.069 20 0 IBADMO C[C@H](O)C[NH+]1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000494449414 1072634289 /nfs/dbraw/zinc/63/42/89/1072634289.db2.gz BNUVDFBAFNGXIE-INIZCTEOSA-N 1 1 426.539 -0.356 20 0 IBADMO O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000494455406 1072634305 /nfs/dbraw/zinc/63/43/05/1072634305.db2.gz VJNJHDQKXBJSGG-GOSISDBHSA-N 1 1 437.518 -0.253 20 0 IBADMO O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000494455408 1072634251 /nfs/dbraw/zinc/63/42/51/1072634251.db2.gz VJNJHDQKXBJSGG-SFHVURJKSA-N 1 1 437.518 -0.253 20 0 IBADMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000494460100 1072634335 /nfs/dbraw/zinc/63/43/35/1072634335.db2.gz XEUXIWMRLMCNQL-INIZCTEOSA-N 1 1 428.530 -0.343 20 0 IBADMO Cc1ccc(NC(=O)CN2CC[NH+](C[C@H](C)O)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000494469773 1072635038 /nfs/dbraw/zinc/63/50/38/1072635038.db2.gz UQHNCGWFDSPJJX-KRWDZBQOSA-N 1 1 440.566 -0.047 20 0 IBADMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000494471265 1072635148 /nfs/dbraw/zinc/63/51/48/1072635148.db2.gz MCMWNHWGUCDDNZ-INIZCTEOSA-N 1 1 428.530 -0.343 20 0 IBADMO CCn1c(=O)c(C(=O)CN2CC[NH+](C[C@H](C)O)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000494475376 1072634959 /nfs/dbraw/zinc/63/49/59/1072634959.db2.gz NUAINNKYRPQJIX-INIZCTEOSA-N 1 1 429.521 -0.159 20 0 IBADMO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN3CC[NH+](C[C@H](C)O)CC3)nc(=O)c12 ZINC000494485652 1072635094 /nfs/dbraw/zinc/63/50/94/1072635094.db2.gz MPKAZPVZQQYBRX-NSHDSACASA-N 1 1 438.506 -0.015 20 0 IBADMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 ZINC000494487465 1072634925 /nfs/dbraw/zinc/63/49/25/1072634925.db2.gz WTOSJHQOJKJUMR-HNNXBMFYSA-N 1 1 446.520 -0.204 20 0 IBADMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000494488635 1072635688 /nfs/dbraw/zinc/63/56/88/1072635688.db2.gz ZMTTXIGNLFXQDY-INIZCTEOSA-N 1 1 428.530 -0.343 20 0 IBADMO O=C(CN1CCN(C(=O)C[N@H+](CCO)[C@H]2CCc3ccccc32)CC1)N1CCOCC1 ZINC000494532007 1073370628 /nfs/dbraw/zinc/37/06/28/1073370628.db2.gz NCBOXDDEYIXNTG-NRFANRHFSA-N 1 1 430.549 -0.029 20 0 IBADMO O=C(CN1CCN(C(=O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)CC1)N1CCOCC1 ZINC000494532008 1073370562 /nfs/dbraw/zinc/37/05/62/1073370562.db2.gz NCBOXDDEYIXNTG-OAQYLSRUSA-N 1 1 430.549 -0.029 20 0 IBADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000494602844 1072638022 /nfs/dbraw/zinc/63/80/22/1072638022.db2.gz JWGOYILYKYFXCB-GOSISDBHSA-N 1 1 446.595 -0.623 20 0 IBADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000494602845 1072638012 /nfs/dbraw/zinc/63/80/12/1072638012.db2.gz JWGOYILYKYFXCB-SFHVURJKSA-N 1 1 446.595 -0.623 20 0 IBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000494634203 1072639137 /nfs/dbraw/zinc/63/91/37/1072639137.db2.gz CJWGOVUTCPOFDG-KRWDZBQOSA-N 1 1 427.505 -0.179 20 0 IBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000494634205 1072639069 /nfs/dbraw/zinc/63/90/69/1072639069.db2.gz CJWGOVUTCPOFDG-QGZVFWFLSA-N 1 1 427.505 -0.179 20 0 IBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000494656289 1072639039 /nfs/dbraw/zinc/63/90/39/1072639039.db2.gz NVMFXMLRPHWIMO-KRWDZBQOSA-N 1 1 436.534 -0.365 20 0 IBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000494656290 1072639091 /nfs/dbraw/zinc/63/90/91/1072639091.db2.gz NVMFXMLRPHWIMO-QGZVFWFLSA-N 1 1 436.534 -0.365 20 0 IBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000494672766 1072640403 /nfs/dbraw/zinc/64/04/03/1072640403.db2.gz NGFFUVUNGSBRJM-HNNXBMFYSA-N 1 1 443.504 -0.099 20 0 IBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000494672767 1072640335 /nfs/dbraw/zinc/64/03/35/1072640335.db2.gz NGFFUVUNGSBRJM-OAHLLOKOSA-N 1 1 443.504 -0.099 20 0 IBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1OC ZINC000494683222 1072640970 /nfs/dbraw/zinc/64/09/70/1072640970.db2.gz DJCUFQXCLAZOIW-GOSISDBHSA-N 1 1 439.534 -0.007 20 0 IBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1OC ZINC000494683223 1072640846 /nfs/dbraw/zinc/64/08/46/1072640846.db2.gz DJCUFQXCLAZOIW-SFHVURJKSA-N 1 1 439.534 -0.007 20 0 IBADMO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](O)C4(CC4)C3)CC2)c1 ZINC000494684458 1072640868 /nfs/dbraw/zinc/64/08/68/1072640868.db2.gz IYLJZBDOUVBKGD-GOSISDBHSA-N 1 1 439.534 -0.007 20 0 IBADMO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H](O)C4(CC4)C3)CC2)c1 ZINC000494684460 1072640933 /nfs/dbraw/zinc/64/09/33/1072640933.db2.gz IYLJZBDOUVBKGD-SFHVURJKSA-N 1 1 439.534 -0.007 20 0 IBADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494687693 1072640990 /nfs/dbraw/zinc/64/09/90/1072640990.db2.gz RGIYFLDCKISREN-DZGCQCFKSA-N 1 1 432.568 -0.605 20 0 IBADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494687693 1072640989 /nfs/dbraw/zinc/64/09/89/1072640989.db2.gz RGIYFLDCKISREN-DZGCQCFKSA-N 1 1 432.568 -0.605 20 0 IBADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494687694 1072640913 /nfs/dbraw/zinc/64/09/13/1072640913.db2.gz RGIYFLDCKISREN-HIFRSBDPSA-N 1 1 432.568 -0.605 20 0 IBADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494687694 1072640911 /nfs/dbraw/zinc/64/09/11/1072640911.db2.gz RGIYFLDCKISREN-HIFRSBDPSA-N 1 1 432.568 -0.605 20 0 IBADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494687695 1072640886 /nfs/dbraw/zinc/64/08/86/1072640886.db2.gz RGIYFLDCKISREN-UKRRQHHQSA-N 1 1 432.568 -0.605 20 0 IBADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494687695 1072640883 /nfs/dbraw/zinc/64/08/83/1072640883.db2.gz RGIYFLDCKISREN-UKRRQHHQSA-N 1 1 432.568 -0.605 20 0 IBADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494687696 1072640951 /nfs/dbraw/zinc/64/09/51/1072640951.db2.gz RGIYFLDCKISREN-ZFWWWQNUSA-N 1 1 432.568 -0.605 20 0 IBADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494687696 1072640947 /nfs/dbraw/zinc/64/09/47/1072640947.db2.gz RGIYFLDCKISREN-ZFWWWQNUSA-N 1 1 432.568 -0.605 20 0 IBADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494708867 1072641732 /nfs/dbraw/zinc/64/17/32/1072641732.db2.gz MJZFNAFXQZZTJT-HNNXBMFYSA-N 1 1 432.568 -0.604 20 0 IBADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494708868 1072641689 /nfs/dbraw/zinc/64/16/89/1072641689.db2.gz MJZFNAFXQZZTJT-OAHLLOKOSA-N 1 1 432.568 -0.604 20 0 IBADMO Cn1cc([C@H](CO)[NH2+]CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cn1 ZINC000494803992 1072646006 /nfs/dbraw/zinc/64/60/06/1072646006.db2.gz KFZJNDWLENFBNN-INIZCTEOSA-N 1 1 425.486 -0.285 20 0 IBADMO Cn1cc([C@@H](CO)[NH2+]CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cn1 ZINC000494803993 1072646142 /nfs/dbraw/zinc/64/61/42/1072646142.db2.gz KFZJNDWLENFBNN-MRXNPFEDSA-N 1 1 425.486 -0.285 20 0 IBADMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000494804417 1072645962 /nfs/dbraw/zinc/64/59/62/1072645962.db2.gz CICJXZXJXLARSQ-IBGZPJMESA-N 1 1 449.533 -0.221 20 0 IBADMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000494804418 1072646082 /nfs/dbraw/zinc/64/60/82/1072646082.db2.gz CICJXZXJXLARSQ-LJQANCHMSA-N 1 1 449.533 -0.221 20 0 IBADMO Cn1cc([C@H](CO)[NH2+]CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cn1 ZINC000494806452 1072646032 /nfs/dbraw/zinc/64/60/32/1072646032.db2.gz ZAFUBGQWFOADEG-INIZCTEOSA-N 1 1 443.476 -0.146 20 0 IBADMO Cn1cc([C@@H](CO)[NH2+]CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cn1 ZINC000494806456 1072646179 /nfs/dbraw/zinc/64/61/79/1072646179.db2.gz ZAFUBGQWFOADEG-MRXNPFEDSA-N 1 1 443.476 -0.146 20 0 IBADMO Cn1cc([C@@H](CO)[NH2+]CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cn1 ZINC000494807783 1072646072 /nfs/dbraw/zinc/64/60/72/1072646072.db2.gz JLLXBMPZIMLPGY-APWZRJJASA-N 1 1 429.477 -0.446 20 0 IBADMO Cn1cc([C@H](CO)[NH2+]CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cn1 ZINC000494807785 1072645985 /nfs/dbraw/zinc/64/59/85/1072645985.db2.gz JLLXBMPZIMLPGY-LPHOPBHVSA-N 1 1 429.477 -0.446 20 0 IBADMO Cn1cc([C@H](CO)[NH2+]CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cn1 ZINC000494807787 1072646045 /nfs/dbraw/zinc/64/60/45/1072646045.db2.gz JLLXBMPZIMLPGY-QFBILLFUSA-N 1 1 429.477 -0.446 20 0 IBADMO 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CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000499063277 1072925156 /nfs/dbraw/zinc/92/51/56/1072925156.db2.gz JYXZBVPSIFUJHA-INIZCTEOSA-N 1 1 426.543 -0.149 20 0 IBADMO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000499063278 1072925249 /nfs/dbraw/zinc/92/52/49/1072925249.db2.gz JYXZBVPSIFUJHA-MRXNPFEDSA-N 1 1 426.543 -0.149 20 0 IBADMO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+](CCO)CCOCC(F)(F)F)CC1 ZINC000499126742 1072927264 /nfs/dbraw/zinc/92/72/64/1072927264.db2.gz MVCYNLAZKFWEBR-UHFFFAOYSA-N 1 1 445.446 -0.115 20 0 IBADMO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+](CCO)CCOCC(F)(F)F)CC1 ZINC000499126742 1072927256 /nfs/dbraw/zinc/92/72/56/1072927256.db2.gz MVCYNLAZKFWEBR-UHFFFAOYSA-N 1 1 445.446 -0.115 20 0 IBADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000499153120 1072929732 /nfs/dbraw/zinc/92/97/32/1072929732.db2.gz QZCBSSRQUWAQCM-UHFFFAOYSA-N 1 1 447.521 -0.609 20 0 IBADMO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 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C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000506042067 1071962897 /nfs/dbraw/zinc/96/28/97/1071962897.db2.gz NZZGSPZFUOZQOB-HZPDHXFCSA-N 1 1 439.534 -0.007 20 0 IBADMO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000506042068 1071963071 /nfs/dbraw/zinc/96/30/71/1071963071.db2.gz NZZGSPZFUOZQOB-JKSUJKDBSA-N 1 1 439.534 -0.007 20 0 IBADMO NS(=O)(=O)N1CC[NH+](CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000506119203 1071978610 /nfs/dbraw/zinc/97/86/10/1071978610.db2.gz RWQKNGFPLYYSEO-UHFFFAOYSA-N 1 1 445.567 -0.379 20 0 IBADMO NS(=O)(=O)N1CC[NH+](CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000506119902 1072485247 /nfs/dbraw/zinc/48/52/47/1072485247.db2.gz WQTSKKPXPTZVNQ-UHFFFAOYSA-N 1 1 445.567 -0.379 20 0 IBADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NCc3ccccc3OCCO)CC2)CC1 ZINC000506162157 1071989113 /nfs/dbraw/zinc/98/91/13/1071989113.db2.gz ZBQGURIKBMRWGI-UHFFFAOYSA-N 1 1 432.521 -0.314 20 0 IBADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)NCc3ccccc3OCCO)CC2)C1 ZINC000506175797 1071996037 /nfs/dbraw/zinc/99/60/37/1071996037.db2.gz VDQDBRYURVXUKX-FQEVSTJZSA-N 1 1 448.564 -0.073 20 0 IBADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)NCc3ccccc3OCCO)CC2)C1 ZINC000506175798 1071996013 /nfs/dbraw/zinc/99/60/13/1071996013.db2.gz VDQDBRYURVXUKX-HXUWFJFHSA-N 1 1 448.564 -0.073 20 0 IBADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)CC1 ZINC000506217966 1072008504 /nfs/dbraw/zinc/00/85/04/1072008504.db2.gz YGQNEPDGYOJHRS-UHFFFAOYSA-N 1 1 433.557 -0.033 20 0 IBADMO Cn1c(=O)c2ccc(C(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)nc2n(C)c1=O ZINC000506260567 1072013357 /nfs/dbraw/zinc/01/33/57/1072013357.db2.gz RRVZLDZJNPIQBQ-UHFFFAOYSA-N 1 1 428.493 -0.742 20 0 IBADMO Cn1c(=O)c2cc(C(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)cnc2n(C)c1=O ZINC000506261904 1072013248 /nfs/dbraw/zinc/01/32/48/1072013248.db2.gz ASQGYSUTYINLDM-UHFFFAOYSA-N 1 1 428.493 -0.742 20 0 IBADMO Cc1cccc(N2CC[NH+](CCCNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)c1 ZINC000506270402 1072014537 /nfs/dbraw/zinc/01/45/37/1072014537.db2.gz NOOSJLXWXNFONC-UHFFFAOYSA-N 1 1 435.550 -0.117 20 0 IBADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)CC1=O ZINC000506321006 1072020838 /nfs/dbraw/zinc/02/08/38/1072020838.db2.gz JGCTYZIJPGIDEA-CABCVRRESA-N 1 1 429.539 -0.444 20 0 IBADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)CC1=O ZINC000506321007 1072021015 /nfs/dbraw/zinc/02/10/15/1072021015.db2.gz JGCTYZIJPGIDEA-GJZGRUSLSA-N 1 1 429.539 -0.444 20 0 IBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)CC1=O ZINC000506321008 1072021040 /nfs/dbraw/zinc/02/10/40/1072021040.db2.gz JGCTYZIJPGIDEA-HUUCEWRRSA-N 1 1 429.539 -0.444 20 0 IBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)CC1=O ZINC000506321009 1072020733 /nfs/dbraw/zinc/02/07/33/1072020733.db2.gz JGCTYZIJPGIDEA-LSDHHAIUSA-N 1 1 429.539 -0.444 20 0 IBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H](C)C(=O)NCCF)cc2)CC1 ZINC000506425059 1072037125 /nfs/dbraw/zinc/03/71/25/1072037125.db2.gz KMLZVMXAFFNOJL-HNNXBMFYSA-N 1 1 435.500 -0.078 20 0 IBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H](C)C(=O)NCCF)cc2)CC1 ZINC000506425062 1072037201 /nfs/dbraw/zinc/03/72/01/1072037201.db2.gz KMLZVMXAFFNOJL-OAHLLOKOSA-N 1 1 435.500 -0.078 20 0 IBADMO CCN(CCOCCO)C(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000506432251 1072039517 /nfs/dbraw/zinc/03/95/17/1072039517.db2.gz BXVLYLXCVJJJOX-UHFFFAOYSA-N 1 1 436.509 -0.121 20 0 IBADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000506443230 1072040495 /nfs/dbraw/zinc/04/04/95/1072040495.db2.gz LBHWWEXEOOJKNK-UHFFFAOYSA-N 1 1 437.522 -0.700 20 0 IBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000506466065 1072497773 /nfs/dbraw/zinc/49/77/73/1072497773.db2.gz ZHWJUIMDWSIBOL-KRWDZBQOSA-N 1 1 436.534 -0.413 20 0 IBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000506466074 1072497922 /nfs/dbraw/zinc/49/79/22/1072497922.db2.gz ZHWJUIMDWSIBOL-QGZVFWFLSA-N 1 1 436.534 -0.413 20 0 IBADMO Cc1c(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cccc1C(=O)N1CCOCC1 ZINC000506475632 1072047566 /nfs/dbraw/zinc/04/75/66/1072047566.db2.gz BBMBZPDLDJUILP-UHFFFAOYSA-N 1 1 445.520 -0.314 20 0 IBADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)CC1 ZINC000506477286 1072048633 /nfs/dbraw/zinc/04/86/33/1072048633.db2.gz NGKQLJCLKVYDJP-UHFFFAOYSA-N 1 1 448.549 -0.146 20 0 IBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@H](C)C(=O)NCCF ZINC000506485261 1072050812 /nfs/dbraw/zinc/05/08/12/1072050812.db2.gz HHDOLYLKWJEHOK-CYBMUJFWSA-N 1 1 437.472 -0.388 20 0 IBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@@H](C)C(=O)NCCF ZINC000506485262 1072050663 /nfs/dbraw/zinc/05/06/63/1072050663.db2.gz HHDOLYLKWJEHOK-ZDUSSCGKSA-N 1 1 437.472 -0.388 20 0 IBADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N3CC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000506492483 1072054746 /nfs/dbraw/zinc/05/47/46/1072054746.db2.gz XWQNEZQEFSLPMH-GOSISDBHSA-N 1 1 438.550 -0.103 20 0 IBADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N3CC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000506492484 1072054776 /nfs/dbraw/zinc/05/47/76/1072054776.db2.gz XWQNEZQEFSLPMH-SFHVURJKSA-N 1 1 438.550 -0.103 20 0 IBADMO C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2C1 ZINC000506512252 1072063041 /nfs/dbraw/zinc/06/30/41/1072063041.db2.gz SKVCZKZWXGWLJU-UHFFFAOYSA-N 1 1 429.477 -0.900 20 0 IBADMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2C1 ZINC000506512252 1072063034 /nfs/dbraw/zinc/06/30/34/1072063034.db2.gz SKVCZKZWXGWLJU-UHFFFAOYSA-N 1 1 429.477 -0.900 20 0 IBADMO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(c3ncccc3C(N)=O)CC1)c(=O)n2C ZINC000506571556 1072078841 /nfs/dbraw/zinc/07/88/41/1072078841.db2.gz SKCCXBAACBEIGI-UHFFFAOYSA-N 1 1 426.481 -0.860 20 0 IBADMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000506598719 1072500352 /nfs/dbraw/zinc/50/03/52/1072500352.db2.gz YZACFWHHLAGFGE-UHFFFAOYSA-N 1 1 444.536 -0.083 20 0 IBADMO CN(CCOCCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000506673377 1072095281 /nfs/dbraw/zinc/09/52/81/1072095281.db2.gz XDCHTTSTRRSPGJ-UHFFFAOYSA-N 1 1 442.538 -0.581 20 0 IBADMO CN(CCOCCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000506673377 1072095270 /nfs/dbraw/zinc/09/52/70/1072095270.db2.gz XDCHTTSTRRSPGJ-UHFFFAOYSA-N 1 1 442.538 -0.581 20 0 IBADMO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000506685508 1072099457 /nfs/dbraw/zinc/09/94/57/1072099457.db2.gz FESKXPJISARBPB-BBWFWOEESA-N 1 1 430.571 -0.466 20 0 IBADMO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000506685509 1072099245 /nfs/dbraw/zinc/09/92/45/1072099245.db2.gz FESKXPJISARBPB-GVDBMIGSSA-N 1 1 430.571 -0.466 20 0 IBADMO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000506685510 1072099400 /nfs/dbraw/zinc/09/94/00/1072099400.db2.gz FESKXPJISARBPB-ULQDDVLXSA-N 1 1 430.571 -0.466 20 0 IBADMO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000506685511 1072099281 /nfs/dbraw/zinc/09/92/81/1072099281.db2.gz FESKXPJISARBPB-YESZJQIVSA-N 1 1 430.571 -0.466 20 0 IBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000506734987 1072113535 /nfs/dbraw/zinc/11/35/35/1072113535.db2.gz CLNJIDSMHBHJDL-BBRMVZONSA-N 1 1 439.538 -0.041 20 0 IBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000506734988 1072113497 /nfs/dbraw/zinc/11/34/97/1072113497.db2.gz CLNJIDSMHBHJDL-CJNGLKHVSA-N 1 1 439.538 -0.041 20 0 IBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000506734989 1072113437 /nfs/dbraw/zinc/11/34/37/1072113437.db2.gz CLNJIDSMHBHJDL-CZUORRHYSA-N 1 1 439.538 -0.041 20 0 IBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000506734990 1072113337 /nfs/dbraw/zinc/11/33/37/1072113337.db2.gz CLNJIDSMHBHJDL-XJKSGUPXSA-N 1 1 439.538 -0.041 20 0 IBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000506757733 1072122190 /nfs/dbraw/zinc/12/21/90/1072122190.db2.gz DIOXDRHDBJTDRE-AWEZNQCLSA-N 1 1 432.568 -0.266 20 0 IBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000506757739 1072122165 /nfs/dbraw/zinc/12/21/65/1072122165.db2.gz DIOXDRHDBJTDRE-CQSZACIVSA-N 1 1 432.568 -0.266 20 0 IBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000506758323 1072120815 /nfs/dbraw/zinc/12/08/15/1072120815.db2.gz GHCGOHMVRLIHOQ-KBPBESRZSA-N 1 1 432.568 -0.231 20 0 IBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000506758382 1072120867 /nfs/dbraw/zinc/12/08/67/1072120867.db2.gz GHCGOHMVRLIHOQ-KGLIPLIRSA-N 1 1 432.568 -0.231 20 0 IBADMO 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O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NCCOc1cccc(Cl)c1 ZINC000532706494 1072895703 /nfs/dbraw/zinc/89/57/03/1072895703.db2.gz RNHYCQSBJJAIBD-DLBZAZTESA-N 1 1 431.942 -0.078 20 0 IBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NCCOc1cccc(Cl)c1 ZINC000532706495 1072896341 /nfs/dbraw/zinc/89/63/41/1072896341.db2.gz RNHYCQSBJJAIBD-IAGOWNOFSA-N 1 1 431.942 -0.078 20 0 IBADMO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NCCOc1cccc(Cl)c1 ZINC000532706496 1072896350 /nfs/dbraw/zinc/89/63/50/1072896350.db2.gz RNHYCQSBJJAIBD-IRXDYDNUSA-N 1 1 431.942 -0.078 20 0 IBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NCCOc1cccc(Cl)c1 ZINC000532706497 1072896299 /nfs/dbraw/zinc/89/62/99/1072896299.db2.gz RNHYCQSBJJAIBD-SJORKVTESA-N 1 1 431.942 -0.078 20 0 IBADMO COc1ccc(CN(C)C(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC ZINC000532706595 1072896313 /nfs/dbraw/zinc/89/63/13/1072896313.db2.gz YLPADXFKWVRGST-DLBZAZTESA-N 1 1 441.550 -0.250 20 0 IBADMO COc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC ZINC000532706596 1072895672 /nfs/dbraw/zinc/89/56/72/1072895672.db2.gz YLPADXFKWVRGST-IAGOWNOFSA-N 1 1 441.550 -0.250 20 0 IBADMO COc1ccc(CN(C)C(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC ZINC000532706597 1072895538 /nfs/dbraw/zinc/89/55/38/1072895538.db2.gz YLPADXFKWVRGST-IRXDYDNUSA-N 1 1 441.550 -0.250 20 0 IBADMO COc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC ZINC000532706598 1072895950 /nfs/dbraw/zinc/89/59/50/1072895950.db2.gz YLPADXFKWVRGST-SJORKVTESA-N 1 1 441.550 -0.250 20 0 IBADMO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NCc1ccccc1Cn1cccn1 ZINC000532708273 1072897359 /nfs/dbraw/zinc/89/73/59/1072897359.db2.gz UGVWWTPJULRAMW-PMACEKPBSA-N 1 1 447.561 -0.365 20 0 IBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NCc1ccccc1Cn1cccn1 ZINC000532708277 1072897176 /nfs/dbraw/zinc/89/71/76/1072897176.db2.gz UGVWWTPJULRAMW-UXHICEINSA-N 1 1 447.561 -0.365 20 0 IBADMO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NCc1ccccc1Cn1cccn1 ZINC000532708278 1072897205 /nfs/dbraw/zinc/89/72/05/1072897205.db2.gz UGVWWTPJULRAMW-VQTJNVASSA-N 1 1 447.561 -0.365 20 0 IBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NCc1ccccc1Cn1cccn1 ZINC000532708279 1072897289 /nfs/dbraw/zinc/89/72/89/1072897289.db2.gz UGVWWTPJULRAMW-WOJBJXKFSA-N 1 1 447.561 -0.365 20 0 IBADMO CCOCc1ccc(CNC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000532708436 1072896820 /nfs/dbraw/zinc/89/68/20/1072896820.db2.gz ALQOTDMZZBCGRY-MOPGFXCFSA-N 1 1 425.551 -0.073 20 0 IBADMO CCOCc1ccc(CNC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000532708438 1072896735 /nfs/dbraw/zinc/89/67/35/1072896735.db2.gz ALQOTDMZZBCGRY-OALUTQOASA-N 1 1 425.551 -0.073 20 0 IBADMO CCOCc1ccc(CNC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000532708440 1072897319 /nfs/dbraw/zinc/89/73/19/1072897319.db2.gz ALQOTDMZZBCGRY-RBUKOAKNSA-N 1 1 425.551 -0.073 20 0 IBADMO CCOCc1ccc(CNC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000532708442 1072897233 /nfs/dbraw/zinc/89/72/33/1072897233.db2.gz ALQOTDMZZBCGRY-RTBURBONSA-N 1 1 425.551 -0.073 20 0 IBADMO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCN(Cc2ccccc2)CC1 ZINC000532710044 1072899202 /nfs/dbraw/zinc/89/92/02/1072899202.db2.gz QYESMCBASHXXGH-PMACEKPBSA-N 1 1 436.578 -0.582 20 0 IBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCN(Cc2ccccc2)CC1 ZINC000532710045 1072899072 /nfs/dbraw/zinc/89/90/72/1072899072.db2.gz QYESMCBASHXXGH-UXHICEINSA-N 1 1 436.578 -0.582 20 0 IBADMO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CCN(Cc2ccccc2)CC1 ZINC000532710046 1072899156 /nfs/dbraw/zinc/89/91/56/1072899156.db2.gz QYESMCBASHXXGH-VQTJNVASSA-N 1 1 436.578 -0.582 20 0 IBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CCN(Cc2ccccc2)CC1 ZINC000532710047 1072898951 /nfs/dbraw/zinc/89/89/51/1072898951.db2.gz QYESMCBASHXXGH-WOJBJXKFSA-N 1 1 436.578 -0.582 20 0 IBADMO Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000532710131 1072898546 /nfs/dbraw/zinc/89/85/46/1072898546.db2.gz XWNUDBZLNHRVEB-QXAKKESOSA-N 1 1 425.551 -0.034 20 0 IBADMO Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000532710132 1072898622 /nfs/dbraw/zinc/89/86/22/1072898622.db2.gz XWNUDBZLNHRVEB-UHOSZYNNSA-N 1 1 425.551 -0.034 20 0 IBADMO Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000532710134 1072898467 /nfs/dbraw/zinc/89/84/67/1072898467.db2.gz XWNUDBZLNHRVEB-WDSOQIARSA-N 1 1 425.551 -0.034 20 0 IBADMO Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000532710136 1072898265 /nfs/dbraw/zinc/89/82/65/1072898265.db2.gz XWNUDBZLNHRVEB-YTQUADARSA-N 1 1 425.551 -0.034 20 0 IBADMO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCN(c2ccccc2F)CC1 ZINC000532710239 1072898483 /nfs/dbraw/zinc/89/84/83/1072898483.db2.gz ADCSIVCQPFIJAG-HKUYNNGSSA-N 1 1 440.541 -0.438 20 0 IBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CCN(c2ccccc2F)CC1 ZINC000532710240 1072899214 /nfs/dbraw/zinc/89/92/14/1072899214.db2.gz ADCSIVCQPFIJAG-IEBWSBKVSA-N 1 1 440.541 -0.438 20 0 IBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCN(c2ccccc2F)CC1 ZINC000532710241 1072899144 /nfs/dbraw/zinc/89/91/44/1072899144.db2.gz ADCSIVCQPFIJAG-MJGOQNOKSA-N 1 1 440.541 -0.438 20 0 IBADMO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CCN(c2ccccc2F)CC1 ZINC000532710242 1072898969 /nfs/dbraw/zinc/89/89/69/1072898969.db2.gz ADCSIVCQPFIJAG-PKOBYXMFSA-N 1 1 440.541 -0.438 20 0 IBADMO COc1cccc(CN(C)C(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1OC ZINC000532710253 1072898432 /nfs/dbraw/zinc/89/84/32/1072898432.db2.gz AKIWZTAADFTFJU-DLBZAZTESA-N 1 1 441.550 -0.250 20 0 IBADMO COc1cccc(CN(C)C(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1OC ZINC000532710254 1072898380 /nfs/dbraw/zinc/89/83/80/1072898380.db2.gz AKIWZTAADFTFJU-IAGOWNOFSA-N 1 1 441.550 -0.250 20 0 IBADMO COc1cccc(CN(C)C(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1OC ZINC000532710255 1072898331 /nfs/dbraw/zinc/89/83/31/1072898331.db2.gz AKIWZTAADFTFJU-IRXDYDNUSA-N 1 1 441.550 -0.250 20 0 IBADMO COc1cccc(CN(C)C(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1OC ZINC000532710256 1072898409 /nfs/dbraw/zinc/89/84/09/1072898409.db2.gz AKIWZTAADFTFJU-SJORKVTESA-N 1 1 441.550 -0.250 20 0 IBADMO COc1ccc(CNC(=O)[C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC ZINC000532710385 1072898504 /nfs/dbraw/zinc/89/85/04/1072898504.db2.gz RVLRGHAFEIMASR-BHYGNILZSA-N 1 1 441.550 -0.204 20 0 IBADMO COc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC ZINC000532710386 1072898574 /nfs/dbraw/zinc/89/85/74/1072898574.db2.gz RVLRGHAFEIMASR-UAGQMJEPSA-N 1 1 441.550 -0.204 20 0 IBADMO COc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC ZINC000532710387 1072898236 /nfs/dbraw/zinc/89/82/36/1072898236.db2.gz RVLRGHAFEIMASR-USXIJHARSA-N 1 1 441.550 -0.204 20 0 IBADMO COc1ccc(CNC(=O)[C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC ZINC000532710388 1072898309 /nfs/dbraw/zinc/89/83/09/1072898309.db2.gz RVLRGHAFEIMASR-XIRDDKMYSA-N 1 1 441.550 -0.204 20 0 IBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000532710396 1072897952 /nfs/dbraw/zinc/89/79/52/1072897952.db2.gz UIMXOOVIKUZWTP-MOPGFXCFSA-N 1 1 440.541 -0.438 20 0 IBADMO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000532710397 1072898595 /nfs/dbraw/zinc/89/85/95/1072898595.db2.gz UIMXOOVIKUZWTP-OALUTQOASA-N 1 1 440.541 -0.438 20 0 IBADMO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000532710398 1072898420 /nfs/dbraw/zinc/89/84/20/1072898420.db2.gz UIMXOOVIKUZWTP-RBUKOAKNSA-N 1 1 440.541 -0.438 20 0 IBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000532710399 1072898348 /nfs/dbraw/zinc/89/83/48/1072898348.db2.gz UIMXOOVIKUZWTP-RTBURBONSA-N 1 1 440.541 -0.438 20 0 IBADMO COc1ccc(CNC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC ZINC000532710824 1072899528 /nfs/dbraw/zinc/89/95/28/1072899528.db2.gz PSOHYKITLJZLPS-CVEARBPZSA-N 1 1 427.523 -0.593 20 0 IBADMO COc1ccc(CNC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC ZINC000532710825 1072899702 /nfs/dbraw/zinc/89/97/02/1072899702.db2.gz PSOHYKITLJZLPS-HOTGVXAUSA-N 1 1 427.523 -0.593 20 0 IBADMO COc1ccc(CNC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC ZINC000532710826 1072899664 /nfs/dbraw/zinc/89/96/64/1072899664.db2.gz PSOHYKITLJZLPS-HZPDHXFCSA-N 1 1 427.523 -0.593 20 0 IBADMO COc1ccc(CNC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC ZINC000532710827 1072899740 /nfs/dbraw/zinc/89/97/40/1072899740.db2.gz PSOHYKITLJZLPS-JKSUJKDBSA-N 1 1 427.523 -0.593 20 0 IBADMO COC(=O)c1ccc(CNC(=O)[C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000532711105 1072897832 /nfs/dbraw/zinc/89/78/32/1072897832.db2.gz FPPWBWWURQVPLR-BMGDILEWSA-N 1 1 439.534 -0.435 20 0 IBADMO 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COC(=O)c1cn([C@H]2CCC[N@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)nn1 ZINC000545879136 1074600716 /nfs/dbraw/zinc/60/07/16/1074600716.db2.gz AWRRRTSSHLSKKU-INIZCTEOSA-N 1 1 449.556 -0.240 20 0 IBADMO COC(=O)c1cn([C@@H]2CCC[N@@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)nn1 ZINC000545879140 1074600724 /nfs/dbraw/zinc/60/07/24/1074600724.db2.gz AWRRRTSSHLSKKU-MRXNPFEDSA-N 1 1 449.556 -0.240 20 0 IBADMO COC(=O)c1cn([C@@H]2CCC[N@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)nn1 ZINC000545879140 1074600723 /nfs/dbraw/zinc/60/07/23/1074600723.db2.gz AWRRRTSSHLSKKU-MRXNPFEDSA-N 1 1 449.556 -0.240 20 0 IBADMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1 ZINC000545880175 1074600668 /nfs/dbraw/zinc/60/06/68/1074600668.db2.gz HXOMGVOYELHVHL-BEFAXECRSA-N 1 1 425.507 -0.239 20 0 IBADMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1 ZINC000545880176 1074601233 /nfs/dbraw/zinc/60/12/33/1074601233.db2.gz HXOMGVOYELHVHL-DNVCBOLYSA-N 1 1 425.507 -0.239 20 0 IBADMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1 ZINC000545880178 1074601152 /nfs/dbraw/zinc/60/11/52/1074601152.db2.gz HXOMGVOYELHVHL-HNAYVOBHSA-N 1 1 425.507 -0.239 20 0 IBADMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1 ZINC000545880179 1074601241 /nfs/dbraw/zinc/60/12/41/1074601241.db2.gz HXOMGVOYELHVHL-KXBFYZLASA-N 1 1 425.507 -0.239 20 0 IBADMO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545880915 1074601249 /nfs/dbraw/zinc/60/12/49/1074601249.db2.gz PADKQKWJDQJXPA-ACJLOTCBSA-N 1 1 428.511 -0.879 20 0 IBADMO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545880916 1074601190 /nfs/dbraw/zinc/60/11/90/1074601190.db2.gz PADKQKWJDQJXPA-FZKQIMNGSA-N 1 1 428.511 -0.879 20 0 IBADMO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545880917 1074601218 /nfs/dbraw/zinc/60/12/18/1074601218.db2.gz PADKQKWJDQJXPA-SCLBCKFNSA-N 1 1 428.511 -0.879 20 0 IBADMO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545880918 1074601145 /nfs/dbraw/zinc/60/11/45/1074601145.db2.gz PADKQKWJDQJXPA-UGSOOPFHSA-N 1 1 428.511 -0.879 20 0 IBADMO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545882363 1074601100 /nfs/dbraw/zinc/60/11/00/1074601100.db2.gz PJNQFTCGHIHRIT-NRFANRHFSA-N 1 1 433.509 -0.796 20 0 IBADMO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545882364 1074601074 /nfs/dbraw/zinc/60/10/74/1074601074.db2.gz PJNQFTCGHIHRIT-OAQYLSRUSA-N 1 1 433.509 -0.796 20 0 IBADMO COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000546058322 1074610395 /nfs/dbraw/zinc/61/03/95/1074610395.db2.gz PCSXDKABBBGDQX-UHFFFAOYSA-N 1 1 444.602 -0.527 20 0 IBADMO CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000546071988 1074610905 /nfs/dbraw/zinc/61/09/05/1074610905.db2.gz NNTVINAPJNYODY-GOSISDBHSA-N 1 1 446.595 -0.445 20 0 IBADMO CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000546071992 1074610882 /nfs/dbraw/zinc/61/08/82/1074610882.db2.gz NNTVINAPJNYODY-SFHVURJKSA-N 1 1 446.595 -0.445 20 0 IBADMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC(O)C1 ZINC000546094057 1074612482 /nfs/dbraw/zinc/61/24/82/1074612482.db2.gz GQPBEEDZPVTIHY-UHFFFAOYSA-N 1 1 425.507 -0.254 20 0 IBADMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC(O)C1 ZINC000546094057 1074612477 /nfs/dbraw/zinc/61/24/77/1074612477.db2.gz GQPBEEDZPVTIHY-UHFFFAOYSA-N 1 1 425.507 -0.254 20 0 IBADMO COC(=O)c1cn(C2CC[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC2)nn1 ZINC000546104042 1074613074 /nfs/dbraw/zinc/61/30/74/1074613074.db2.gz DQVWTELCTMUPQV-UHFFFAOYSA-N 1 1 430.465 -0.118 20 0 IBADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000546120410 1074614030 /nfs/dbraw/zinc/61/40/30/1074614030.db2.gz GOCDJIDZEKAAGH-KRWDZBQOSA-N 1 1 444.492 -0.207 20 0 IBADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000546120411 1074614054 /nfs/dbraw/zinc/61/40/54/1074614054.db2.gz GOCDJIDZEKAAGH-QGZVFWFLSA-N 1 1 444.492 -0.207 20 0 IBADMO CNc1nc(N2CC[C@H](NC(=O)NC3CC3)C2)nc(N2CC[C@H](NC(=O)NC3CC3)C2)[nH+]1 ZINC000546174107 1074615629 /nfs/dbraw/zinc/61/56/29/1074615629.db2.gz FCEAEZQQSQISMW-GJZGRUSLSA-N 1 1 444.544 -0.584 20 0 IBADMO CNc1nc(N2CC[C@@H](NC(=O)NC3CC3)C2)nc(N2CC[C@@H](NC(=O)NC3CC3)C2)[nH+]1 ZINC000546174108 1074615613 /nfs/dbraw/zinc/61/56/13/1074615613.db2.gz FCEAEZQQSQISMW-HUUCEWRRSA-N 1 1 444.544 -0.584 20 0 IBADMO CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000546195360 1074618550 /nfs/dbraw/zinc/61/85/50/1074618550.db2.gz PZDVQVOXGLVBLW-GOSISDBHSA-N 1 1 431.486 -0.243 20 0 IBADMO CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000546195361 1074618485 /nfs/dbraw/zinc/61/84/85/1074618485.db2.gz PZDVQVOXGLVBLW-SFHVURJKSA-N 1 1 431.486 -0.243 20 0 IBADMO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)nn1 ZINC000546225685 1074621105 /nfs/dbraw/zinc/62/11/05/1074621105.db2.gz UZEMJQOZLKAWAO-AWEZNQCLSA-N 1 1 436.494 -0.682 20 0 IBADMO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)nn1 ZINC000546225685 1074621101 /nfs/dbraw/zinc/62/11/01/1074621101.db2.gz UZEMJQOZLKAWAO-AWEZNQCLSA-N 1 1 436.494 -0.682 20 0 IBADMO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)nn1 ZINC000546225687 1074621246 /nfs/dbraw/zinc/62/12/46/1074621246.db2.gz UZEMJQOZLKAWAO-CQSZACIVSA-N 1 1 436.494 -0.682 20 0 IBADMO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)nn1 ZINC000546225687 1074621242 /nfs/dbraw/zinc/62/12/42/1074621242.db2.gz UZEMJQOZLKAWAO-CQSZACIVSA-N 1 1 436.494 -0.682 20 0 IBADMO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)C2)nn1 ZINC000546227433 1074621179 /nfs/dbraw/zinc/62/11/79/1074621179.db2.gz JHFLXMZMIHLHGX-GXTWGEPZSA-N 1 1 448.505 -0.063 20 0 IBADMO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)C2)nn1 ZINC000546227433 1074621169 /nfs/dbraw/zinc/62/11/69/1074621169.db2.gz JHFLXMZMIHLHGX-GXTWGEPZSA-N 1 1 448.505 -0.063 20 0 IBADMO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)C2)nn1 ZINC000546227434 1074621153 /nfs/dbraw/zinc/62/11/53/1074621153.db2.gz JHFLXMZMIHLHGX-JSGCOSHPSA-N 1 1 448.505 -0.063 20 0 IBADMO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)C2)nn1 ZINC000546227434 1074621151 /nfs/dbraw/zinc/62/11/51/1074621151.db2.gz JHFLXMZMIHLHGX-JSGCOSHPSA-N 1 1 448.505 -0.063 20 0 IBADMO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)C2)nn1 ZINC000546227435 1074621143 /nfs/dbraw/zinc/62/11/43/1074621143.db2.gz JHFLXMZMIHLHGX-OCCSQVGLSA-N 1 1 448.505 -0.063 20 0 IBADMO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)C2)nn1 ZINC000546227435 1074621142 /nfs/dbraw/zinc/62/11/42/1074621142.db2.gz JHFLXMZMIHLHGX-OCCSQVGLSA-N 1 1 448.505 -0.063 20 0 IBADMO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)C2)nn1 ZINC000546227437 1074621193 /nfs/dbraw/zinc/62/11/93/1074621193.db2.gz JHFLXMZMIHLHGX-TZMCWYRMSA-N 1 1 448.505 -0.063 20 0 IBADMO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)C2)nn1 ZINC000546227437 1074621190 /nfs/dbraw/zinc/62/11/90/1074621190.db2.gz JHFLXMZMIHLHGX-TZMCWYRMSA-N 1 1 448.505 -0.063 20 0 IBADMO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1OC ZINC000546570010 1074634046 /nfs/dbraw/zinc/63/40/46/1074634046.db2.gz QBOXNRKTJYSBQX-IBGZPJMESA-N 1 1 443.522 -0.479 20 0 IBADMO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1OC ZINC000546570012 1074634204 /nfs/dbraw/zinc/63/42/04/1074634204.db2.gz QBOXNRKTJYSBQX-LJQANCHMSA-N 1 1 443.522 -0.479 20 0 IBADMO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000546570292 1074634188 /nfs/dbraw/zinc/63/41/88/1074634188.db2.gz QVLVFHBYBRCERI-IBGZPJMESA-N 1 1 426.539 -0.370 20 0 IBADMO 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Cc1ccc([C@@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)N2CCOCC2)cc1 ZINC000551062474 1073058572 /nfs/dbraw/zinc/05/85/72/1073058572.db2.gz NAHBWFVGPPOYKW-HXUWFJFHSA-N 1 1 445.564 -0.235 20 0 IBADMO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000551062596 1073058288 /nfs/dbraw/zinc/05/82/88/1073058288.db2.gz NYWSPWXCIRXKPL-UHFFFAOYSA-N 1 1 436.509 -0.695 20 0 IBADMO COc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000551062626 1073058468 /nfs/dbraw/zinc/05/84/68/1073058468.db2.gz OGTKYKLVIQJKMZ-GOSISDBHSA-N 1 1 445.520 -0.807 20 0 IBADMO COc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000551062627 1073058401 /nfs/dbraw/zinc/05/84/01/1073058401.db2.gz OGTKYKLVIQJKMZ-SFHVURJKSA-N 1 1 445.520 -0.807 20 0 IBADMO CCOc1cccc(N2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000551062702 1073058662 /nfs/dbraw/zinc/05/86/62/1073058662.db2.gz PNIPNSYDWTYMQN-UHFFFAOYSA-N 1 1 432.525 -0.591 20 0 IBADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000551062940 1073058628 /nfs/dbraw/zinc/05/86/28/1073058628.db2.gz RPUROKSQIZVJAE-MSOLQXFVSA-N 1 1 425.574 -0.480 20 0 IBADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000551062942 1073058319 /nfs/dbraw/zinc/05/83/19/1073058319.db2.gz RPUROKSQIZVJAE-QZTJIDSGSA-N 1 1 425.574 -0.480 20 0 IBADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000551062944 1073058506 /nfs/dbraw/zinc/05/85/06/1073058506.db2.gz RPUROKSQIZVJAE-ROUUACIJSA-N 1 1 425.574 -0.480 20 0 IBADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000551062946 1073058614 /nfs/dbraw/zinc/05/86/14/1073058614.db2.gz RPUROKSQIZVJAE-ZWKOTPCHSA-N 1 1 425.574 -0.480 20 0 IBADMO Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)NCCC(=O)N3CCN(C)CC3)CC2)oc1C ZINC000551063227 1073059154 /nfs/dbraw/zinc/05/91/54/1073059154.db2.gz VLXWDSJDXDQXNM-UHFFFAOYSA-N 1 1 448.568 -0.100 20 0 IBADMO 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C[C@H](Cn1cncn1)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000583634895 1071184922 /nfs/dbraw/zinc/18/49/22/1071184922.db2.gz LHMCCRDXQMMVJU-QAPCUYQASA-N 1 1 427.509 -0.204 20 0 IBADMO C[C@@H](Cn1cncn1)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000583634896 1071184688 /nfs/dbraw/zinc/18/46/88/1071184688.db2.gz LHMCCRDXQMMVJU-YJBOKZPZSA-N 1 1 427.509 -0.204 20 0 IBADMO COCC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000583645038 1071191356 /nfs/dbraw/zinc/19/13/56/1071191356.db2.gz FLQNLJAURFRZOA-GOSISDBHSA-N 1 1 431.537 -0.370 20 0 IBADMO COCC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000583645039 1071191265 /nfs/dbraw/zinc/19/12/65/1071191265.db2.gz FLQNLJAURFRZOA-SFHVURJKSA-N 1 1 431.537 -0.370 20 0 IBADMO Cc1ccc(C(=O)N2CCC(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000583645294 1071191305 /nfs/dbraw/zinc/19/13/05/1071191305.db2.gz PZGNAIIKKUGSOI-UHFFFAOYSA-N 1 1 443.548 -0.004 20 0 IBADMO COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000583658334 1071195324 /nfs/dbraw/zinc/19/53/24/1071195324.db2.gz VLPQFUWNEMCLKD-IBGZPJMESA-N 1 1 437.585 -0.241 20 0 IBADMO COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000583658335 1071195369 /nfs/dbraw/zinc/19/53/69/1071195369.db2.gz VLPQFUWNEMCLKD-LJQANCHMSA-N 1 1 437.585 -0.241 20 0 IBADMO CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000583700639 1071196954 /nfs/dbraw/zinc/19/69/54/1071196954.db2.gz RCFVMTVCEHZGOS-UHFFFAOYSA-N 1 1 428.493 -0.036 20 0 IBADMO CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000583707438 1071197552 /nfs/dbraw/zinc/19/75/52/1071197552.db2.gz AVVWWJMCVMWGRD-UHFFFAOYSA-N 1 1 431.537 -0.585 20 0 IBADMO C[C@H](C[S@@](C)=O)NC(=O)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000583707715 1071197402 /nfs/dbraw/zinc/19/74/02/1071197402.db2.gz MCNIEJRLMVVTMA-DHMKHTPVSA-N 1 1 438.550 -0.153 20 0 IBADMO C[C@H](C[S@](C)=O)NC(=O)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000583707716 1071197528 /nfs/dbraw/zinc/19/75/28/1071197528.db2.gz MCNIEJRLMVVTMA-FOGNVHKLSA-N 1 1 438.550 -0.153 20 0 IBADMO C[C@@H](C[S@@](C)=O)NC(=O)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000583707717 1071197586 /nfs/dbraw/zinc/19/75/86/1071197586.db2.gz MCNIEJRLMVVTMA-INCQDFKNSA-N 1 1 438.550 -0.153 20 0 IBADMO C[C@@H](C[S@](C)=O)NC(=O)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000583707718 1071197519 /nfs/dbraw/zinc/19/75/19/1071197519.db2.gz MCNIEJRLMVVTMA-JGVYIQDASA-N 1 1 438.550 -0.153 20 0 IBADMO O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000583713549 1071198430 /nfs/dbraw/zinc/19/84/30/1071198430.db2.gz CFWNCMPJNLIMEA-GOSISDBHSA-N 1 1 441.550 -0.203 20 0 IBADMO O=C(C[N@H+]1CCC[C@@H](OCCO)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000583713549 1071198424 /nfs/dbraw/zinc/19/84/24/1071198424.db2.gz CFWNCMPJNLIMEA-GOSISDBHSA-N 1 1 441.550 -0.203 20 0 IBADMO O=C(C[N@@H+]1CCC[C@H](OCCO)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000583713550 1071198415 /nfs/dbraw/zinc/19/84/15/1071198415.db2.gz CFWNCMPJNLIMEA-SFHVURJKSA-N 1 1 441.550 -0.203 20 0 IBADMO O=C(C[N@H+]1CCC[C@H](OCCO)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000583713550 1071198408 /nfs/dbraw/zinc/19/84/08/1071198408.db2.gz CFWNCMPJNLIMEA-SFHVURJKSA-N 1 1 441.550 -0.203 20 0 IBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCN(C(=O)N(C)C)CC3)n2)c1C ZINC000583730885 1073339396 /nfs/dbraw/zinc/33/93/96/1073339396.db2.gz REZSOZINKVUQKL-UHFFFAOYSA-N 1 1 444.496 0.111 20 0 IBADMO COc1ccnc(N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)c1 ZINC000583803667 1071202184 /nfs/dbraw/zinc/20/21/84/1071202184.db2.gz JRONAZHQVOQHFM-GOSISDBHSA-N 1 1 446.552 -0.202 20 0 IBADMO COc1ccnc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)c1 ZINC000583803667 1071202179 /nfs/dbraw/zinc/20/21/79/1071202179.db2.gz JRONAZHQVOQHFM-GOSISDBHSA-N 1 1 446.552 -0.202 20 0 IBADMO COc1ccnc(N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)CC2)c1 ZINC000583803668 1071202319 /nfs/dbraw/zinc/20/23/19/1071202319.db2.gz JRONAZHQVOQHFM-SFHVURJKSA-N 1 1 446.552 -0.202 20 0 IBADMO COc1ccnc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)CC2)c1 ZINC000583803668 1071202311 /nfs/dbraw/zinc/20/23/11/1071202311.db2.gz JRONAZHQVOQHFM-SFHVURJKSA-N 1 1 446.552 -0.202 20 0 IBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000583818154 1071203396 /nfs/dbraw/zinc/20/33/96/1071203396.db2.gz PFCJBMULNNTMHI-GOSISDBHSA-N 1 1 425.493 -0.352 20 0 IBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000583818155 1071203325 /nfs/dbraw/zinc/20/33/25/1071203325.db2.gz PFCJBMULNNTMHI-SFHVURJKSA-N 1 1 425.493 -0.352 20 0 IBADMO Cc1ccc([C@H](CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[NH+]2CCCC2)o1 ZINC000583829290 1071203221 /nfs/dbraw/zinc/20/32/21/1071203221.db2.gz UOLPWFCOISRLME-INIZCTEOSA-N 1 1 444.496 -0.801 20 0 IBADMO Cc1ccc([C@@H](CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[NH+]2CCCC2)o1 ZINC000583829291 1071203368 /nfs/dbraw/zinc/20/33/68/1071203368.db2.gz UOLPWFCOISRLME-MRXNPFEDSA-N 1 1 444.496 -0.801 20 0 IBADMO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000583893036 1071206467 /nfs/dbraw/zinc/20/64/67/1071206467.db2.gz GQHRERJAPZGOSQ-MSOLQXFVSA-N 1 1 425.574 -0.338 20 0 IBADMO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000583893037 1071206440 /nfs/dbraw/zinc/20/64/40/1071206440.db2.gz GQHRERJAPZGOSQ-QZTJIDSGSA-N 1 1 425.574 -0.338 20 0 IBADMO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000583893038 1071206342 /nfs/dbraw/zinc/20/63/42/1071206342.db2.gz GQHRERJAPZGOSQ-ROUUACIJSA-N 1 1 425.574 -0.338 20 0 IBADMO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000583893039 1071206383 /nfs/dbraw/zinc/20/63/83/1071206383.db2.gz GQHRERJAPZGOSQ-ZWKOTPCHSA-N 1 1 425.574 -0.338 20 0 IBADMO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000583896527 1071206490 /nfs/dbraw/zinc/20/64/90/1071206490.db2.gz CLJBDNKESJKNCO-UHFFFAOYSA-N 1 1 449.533 -0.403 20 0 IBADMO C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000583948881 1071207906 /nfs/dbraw/zinc/20/79/06/1071207906.db2.gz DPTJBSRQIGSGAG-AWEZNQCLSA-N 1 1 439.538 -0.866 20 0 IBADMO C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000583948882 1071207762 /nfs/dbraw/zinc/20/77/62/1071207762.db2.gz DPTJBSRQIGSGAG-CQSZACIVSA-N 1 1 439.538 -0.866 20 0 IBADMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000583958233 1071208559 /nfs/dbraw/zinc/20/85/59/1071208559.db2.gz HABPOSBKZOJHKM-HZMVEIRTSA-N 1 1 431.555 -0.736 20 0 IBADMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000583958234 1071208581 /nfs/dbraw/zinc/20/85/81/1071208581.db2.gz HABPOSBKZOJHKM-VVLHAWIVSA-N 1 1 431.555 -0.736 20 0 IBADMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000583958235 1071208542 /nfs/dbraw/zinc/20/85/42/1071208542.db2.gz HABPOSBKZOJHKM-YLFCFFPRSA-N 1 1 431.555 -0.736 20 0 IBADMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000583958236 1071208610 /nfs/dbraw/zinc/20/86/10/1071208610.db2.gz HABPOSBKZOJHKM-YVSFHVDLSA-N 1 1 431.555 -0.736 20 0 IBADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](CNC(C)=O)C3)cc2)CC1 ZINC000584008425 1071211876 /nfs/dbraw/zinc/21/18/76/1071211876.db2.gz QUASLQRRVZZQPK-NRFANRHFSA-N 1 1 445.564 -0.196 20 0 IBADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](CNC(C)=O)C3)cc2)CC1 ZINC000584008426 1071211821 /nfs/dbraw/zinc/21/18/21/1071211821.db2.gz QUASLQRRVZZQPK-OAQYLSRUSA-N 1 1 445.564 -0.196 20 0 IBADMO Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)CC2)n[nH]1 ZINC000584021071 1071212612 /nfs/dbraw/zinc/21/26/12/1071212612.db2.gz FDHCJPYPPPOYFU-KRWDZBQOSA-N 1 1 431.541 -0.432 20 0 IBADMO Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)CC2)n[nH]1 ZINC000584021072 1071212547 /nfs/dbraw/zinc/21/25/47/1071212547.db2.gz FDHCJPYPPPOYFU-QGZVFWFLSA-N 1 1 431.541 -0.432 20 0 IBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCc2nccn2Cc2ccccc2)CC1 ZINC000584058369 1071213639 /nfs/dbraw/zinc/21/36/39/1071213639.db2.gz SVLWCNPEIYJPJH-UHFFFAOYSA-N 1 1 426.521 -0.130 20 0 IBADMO O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000584058699 1071213540 /nfs/dbraw/zinc/21/35/40/1071213540.db2.gz JPDDCMYWNDJFRG-HKUYNNGSSA-N 1 1 429.521 -0.131 20 0 IBADMO O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000584058700 1071213570 /nfs/dbraw/zinc/21/35/70/1071213570.db2.gz JPDDCMYWNDJFRG-IEBWSBKVSA-N 1 1 429.521 -0.131 20 0 IBADMO O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000584058701 1071213424 /nfs/dbraw/zinc/21/34/24/1071213424.db2.gz JPDDCMYWNDJFRG-MJGOQNOKSA-N 1 1 429.521 -0.131 20 0 IBADMO O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000584058702 1071213591 /nfs/dbraw/zinc/21/35/91/1071213591.db2.gz JPDDCMYWNDJFRG-PKOBYXMFSA-N 1 1 429.521 -0.131 20 0 IBADMO Cc1cc(C)nc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)n1 ZINC000584060588 1071214256 /nfs/dbraw/zinc/21/42/56/1071214256.db2.gz UZZLIFBVBYTZBA-GOSISDBHSA-N 1 1 445.568 -0.199 20 0 IBADMO Cc1cc(C)nc(N2CCN(C(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)CC2)n1 ZINC000584060589 1071214406 /nfs/dbraw/zinc/21/44/06/1071214406.db2.gz UZZLIFBVBYTZBA-SFHVURJKSA-N 1 1 445.568 -0.199 20 0 IBADMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H](C)C1 ZINC000584068602 1073306240 /nfs/dbraw/zinc/30/62/40/1073306240.db2.gz SLXGTVWXENMNOB-BBWFWOEESA-N 1 1 432.525 -0.131 20 0 IBADMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H](C)C1 ZINC000584068603 1073307255 /nfs/dbraw/zinc/30/72/55/1073307255.db2.gz SLXGTVWXENMNOB-GVDBMIGSSA-N 1 1 432.525 -0.131 20 0 IBADMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H](C)C1 ZINC000584068604 1073315089 /nfs/dbraw/zinc/31/50/89/1073315089.db2.gz SLXGTVWXENMNOB-ULQDDVLXSA-N 1 1 432.525 -0.131 20 0 IBADMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H](C)C1 ZINC000584068605 1073315941 /nfs/dbraw/zinc/31/59/41/1073315941.db2.gz SLXGTVWXENMNOB-YESZJQIVSA-N 1 1 432.525 -0.131 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000584103795 1071215824 /nfs/dbraw/zinc/21/58/24/1071215824.db2.gz OKWPYJGYJHEAMU-IBGZPJMESA-N 1 1 431.537 -0.497 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000584103796 1071216074 /nfs/dbraw/zinc/21/60/74/1071216074.db2.gz OKWPYJGYJHEAMU-LJQANCHMSA-N 1 1 431.537 -0.497 20 0 IBADMO CN1CCN(C(=O)CCNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000584127723 1071215852 /nfs/dbraw/zinc/21/58/52/1071215852.db2.gz MWHFUVLPUZDTST-DFNIBXOVSA-N 1 1 434.585 -0.964 20 0 IBADMO 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1073270660 /nfs/dbraw/zinc/27/06/60/1073270660.db2.gz BREZLWYOBCQZIS-ZOCZFRKYSA-N 1 1 435.525 -0.464 20 0 IBADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000674699576 1073271984 /nfs/dbraw/zinc/27/19/84/1073271984.db2.gz IXGQGFAWXLUHMY-KRWDZBQOSA-N 1 1 429.587 -0.351 20 0 IBADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000674699577 1073271943 /nfs/dbraw/zinc/27/19/43/1073271943.db2.gz IXGQGFAWXLUHMY-QGZVFWFLSA-N 1 1 429.587 -0.351 20 0 IBADMO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000674783986 1073273184 /nfs/dbraw/zinc/27/31/84/1073273184.db2.gz YQJNWNMRXBIKCY-PMACEKPBSA-N 1 1 436.601 -0.269 20 0 IBADMO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000674783987 1073273247 /nfs/dbraw/zinc/27/32/47/1073273247.db2.gz YQJNWNMRXBIKCY-UXHICEINSA-N 1 1 436.601 -0.269 20 0 IBADMO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000674783988 1073273229 /nfs/dbraw/zinc/27/32/29/1073273229.db2.gz YQJNWNMRXBIKCY-VQTJNVASSA-N 1 1 436.601 -0.269 20 0 IBADMO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000674783989 1073273144 /nfs/dbraw/zinc/27/31/44/1073273144.db2.gz YQJNWNMRXBIKCY-WOJBJXKFSA-N 1 1 436.601 -0.269 20 0 IBADMO CCN1C(=O)[C@@H]2CN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000675087043 1073275018 /nfs/dbraw/zinc/27/50/18/1073275018.db2.gz VPXRMZSAQPOTRY-INIZCTEOSA-N 1 1 430.513 -0.333 20 0 IBADMO CCN1C(=O)[C@H]2CN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000675087044 1073275068 /nfs/dbraw/zinc/27/50/68/1073275068.db2.gz VPXRMZSAQPOTRY-MRXNPFEDSA-N 1 1 430.513 -0.333 20 0 IBADMO CNc1nc(N2CCC[C@H](N3CCNC3=O)C2)nc(N2CCC[C@H](N3CCNC3=O)C2)[nH+]1 ZINC000675143177 1073275984 /nfs/dbraw/zinc/27/59/84/1073275984.db2.gz UFGLLRBDTLZZBX-GJZGRUSLSA-N 1 1 444.544 -0.677 20 0 IBADMO CNc1nc(N2CCC[C@@H](N3CCNC3=O)C2)nc(N2CCC[C@@H](N3CCNC3=O)C2)[nH+]1 ZINC000675143178 1073275839 /nfs/dbraw/zinc/27/58/39/1073275839.db2.gz UFGLLRBDTLZZBX-HUUCEWRRSA-N 1 1 444.544 -0.677 20 0 IBADMO CNc1nc(NCC(C)(C)NS(C)(=O)=O)[nH+]c(NCC(C)(C)NS(C)(=O)=O)n1 ZINC000675150929 1073275889 /nfs/dbraw/zinc/27/58/89/1073275889.db2.gz VIIQILSHXBRJIL-UHFFFAOYSA-N 1 1 438.580 -0.607 20 0 IBADMO O=C(Cn1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n1)N1CCOCC1 ZINC000675208298 1073276815 /nfs/dbraw/zinc/27/68/15/1073276815.db2.gz RJLIGHJOVUSLTO-KRWDZBQOSA-N 1 1 448.524 -0.606 20 0 IBADMO O=C(Cn1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)n1)N1CCOCC1 ZINC000675208301 1073276680 /nfs/dbraw/zinc/27/66/80/1073276680.db2.gz RJLIGHJOVUSLTO-QGZVFWFLSA-N 1 1 448.524 -0.606 20 0 IBADMO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000675218463 1073277300 /nfs/dbraw/zinc/27/73/00/1073277300.db2.gz JFFZKTCAERSKHR-UHFFFAOYSA-N 1 1 425.511 -0.844 20 0 IBADMO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000675238230 1073277218 /nfs/dbraw/zinc/27/72/18/1073277218.db2.gz QRHDPEVXGFRNCW-AWEZNQCLSA-N 1 1 439.538 -0.456 20 0 IBADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000675247830 1073277289 /nfs/dbraw/zinc/27/72/89/1073277289.db2.gz BWHBAANWAMWOOO-UHFFFAOYSA-N 1 1 437.566 -0.020 20 0 IBADMO COCC[NH+]1CCN(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)CC1 ZINC000675263675 1073277708 /nfs/dbraw/zinc/27/77/08/1073277708.db2.gz IPHMJFVTVNXGIS-UHFFFAOYSA-N 1 1 432.481 -0.025 20 0 IBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000675282127 1073277626 /nfs/dbraw/zinc/27/76/26/1073277626.db2.gz MRVRFPAJMAMMBB-UHFFFAOYSA-N 1 1 447.355 -0.040 20 0 IBADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000675320927 1073278162 /nfs/dbraw/zinc/27/81/62/1073278162.db2.gz WCUZWAQKEHLKDE-GOSISDBHSA-N 1 1 436.534 -0.064 20 0 IBADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000675320934 1073278125 /nfs/dbraw/zinc/27/81/25/1073278125.db2.gz WCUZWAQKEHLKDE-SFHVURJKSA-N 1 1 436.534 -0.064 20 0 IBADMO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675329698 1073278095 /nfs/dbraw/zinc/27/80/95/1073278095.db2.gz OGZIDHXNAGPPMM-GOSISDBHSA-N 1 1 438.550 -0.482 20 0 IBADMO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675329699 1073278149 /nfs/dbraw/zinc/27/81/49/1073278149.db2.gz OGZIDHXNAGPPMM-SFHVURJKSA-N 1 1 438.550 -0.482 20 0 IBADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)cc2)CC1 ZINC000675408083 1073278967 /nfs/dbraw/zinc/27/89/67/1073278967.db2.gz FOKVWRWYONHRDP-DLBZAZTESA-N 1 1 431.493 -0.448 20 0 IBADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)cc2)CC1 ZINC000675408095 1073279040 /nfs/dbraw/zinc/27/90/40/1073279040.db2.gz FOKVWRWYONHRDP-IAGOWNOFSA-N 1 1 431.493 -0.448 20 0 IBADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 ZINC000675408096 1073278954 /nfs/dbraw/zinc/27/89/54/1073278954.db2.gz FOKVWRWYONHRDP-IRXDYDNUSA-N 1 1 431.493 -0.448 20 0 IBADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 ZINC000675408097 1073278982 /nfs/dbraw/zinc/27/89/82/1073278982.db2.gz FOKVWRWYONHRDP-SJORKVTESA-N 1 1 431.493 -0.448 20 0 IBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000675434139 1073279427 /nfs/dbraw/zinc/27/94/27/1073279427.db2.gz FNJFJDMNVIBGMD-UHFFFAOYSA-N 1 1 447.355 -0.040 20 0 IBADMO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000675485644 1073279964 /nfs/dbraw/zinc/27/99/64/1073279964.db2.gz CPJSEPQLHPVSFU-UHFFFAOYSA-N 1 1 439.538 -0.454 20 0 IBADMO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000675518529 1073280300 /nfs/dbraw/zinc/28/03/00/1073280300.db2.gz YBVGGPLFMVCMTI-UHFFFAOYSA-N 1 1 426.539 -0.234 20 0 IBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000675518924 1073280883 /nfs/dbraw/zinc/28/08/83/1073280883.db2.gz IMOIOAHYGPBBSC-UHFFFAOYSA-N 1 1 441.554 -0.718 20 0 IBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC000675519200 1073280360 /nfs/dbraw/zinc/28/03/60/1073280360.db2.gz VPQKDTGNXZEOBT-UHFFFAOYSA-N 1 1 428.511 -0.463 20 0 IBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000675519534 1073280811 /nfs/dbraw/zinc/28/08/11/1073280811.db2.gz HBJGTWFXQRSJHK-UHFFFAOYSA-N 1 1 440.522 -0.641 20 0 IBADMO CNC(=O)CN1CCN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000675533580 1073280857 /nfs/dbraw/zinc/28/08/57/1073280857.db2.gz ZIVWBGLFBFWPMR-UHFFFAOYSA-N 1 1 445.568 -0.208 20 0 IBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000675552076 1073280791 /nfs/dbraw/zinc/28/07/91/1073280791.db2.gz FEMUCIYRHNMCNF-UHFFFAOYSA-N 1 1 425.507 -0.146 20 0 IBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000675571104 1073281411 /nfs/dbraw/zinc/28/14/11/1073281411.db2.gz NHWJFXLQWLXLLV-KRWDZBQOSA-N 1 1 438.550 -0.010 20 0 IBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000675571105 1073281309 /nfs/dbraw/zinc/28/13/09/1073281309.db2.gz NHWJFXLQWLXLLV-QGZVFWFLSA-N 1 1 438.550 -0.010 20 0 IBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000675584731 1073281370 /nfs/dbraw/zinc/28/13/70/1073281370.db2.gz KOZOENBALCQBEK-UHFFFAOYSA-N 1 1 439.538 -0.983 20 0 IBADMO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000675587554 1073281213 /nfs/dbraw/zinc/28/12/13/1073281213.db2.gz BVPFMNKUBXSGAG-KRWDZBQOSA-N 1 1 436.513 -0.703 20 0 IBADMO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cn1 ZINC000675587555 1073281281 /nfs/dbraw/zinc/28/12/81/1073281281.db2.gz BVPFMNKUBXSGAG-QGZVFWFLSA-N 1 1 436.513 -0.703 20 0 IBADMO O=C(Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cn1)N1CCOCC1 ZINC000675587989 1073282184 /nfs/dbraw/zinc/28/21/84/1073282184.db2.gz ODQMAMQKAYAYEG-GOSISDBHSA-N 1 1 448.524 -0.606 20 0 IBADMO O=C(Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cn1)N1CCOCC1 ZINC000675587993 1073282129 /nfs/dbraw/zinc/28/21/29/1073282129.db2.gz ODQMAMQKAYAYEG-SFHVURJKSA-N 1 1 448.524 -0.606 20 0 IBADMO CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)CCN2C1=O ZINC000675600890 1073284368 /nfs/dbraw/zinc/28/43/68/1073284368.db2.gz RPEBGOWGLXXYOM-GOSISDBHSA-N 1 1 443.504 -0.005 20 0 IBADMO CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)CCN2C1=O ZINC000675600893 1073284349 /nfs/dbraw/zinc/28/43/49/1073284349.db2.gz RPEBGOWGLXXYOM-SFHVURJKSA-N 1 1 443.504 -0.005 20 0 IBADMO CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)C[NH+](C)C)cc3)CCN2C1=O ZINC000675601742 1073281743 /nfs/dbraw/zinc/28/17/43/1073281743.db2.gz ZLFSWEXIQQUHPI-HNNXBMFYSA-N 1 1 430.465 -0.380 20 0 IBADMO CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)C[NH+](C)C)cc3)CCN2C1=O ZINC000675601743 1073281795 /nfs/dbraw/zinc/28/17/95/1073281795.db2.gz ZLFSWEXIQQUHPI-OAHLLOKOSA-N 1 1 430.465 -0.380 20 0 IBADMO 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O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000743765935 1073552068 /nfs/dbraw/zinc/55/20/68/1073552068.db2.gz PICTWQQKHIFBGD-UTKZUKDTSA-N 1 1 448.545 -0.095 20 0 IBADMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000743765936 1073552032 /nfs/dbraw/zinc/55/20/32/1073552032.db2.gz PICTWQQKHIFBGD-UWJYYQICSA-N 1 1 448.545 -0.095 20 0 IBADMO COc1ccc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1N1CCOC1=O ZINC000743891827 1073553512 /nfs/dbraw/zinc/55/35/12/1073553512.db2.gz QAHUZYCPDHGCEF-UHFFFAOYSA-N 1 1 433.465 -0.129 20 0 IBADMO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000743904683 1073554385 /nfs/dbraw/zinc/55/43/85/1073554385.db2.gz FCQHJJMQVCABCG-UHFFFAOYSA-N 1 1 441.554 -0.693 20 0 IBADMO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1C[N@H+]3CCC[C@@H]3CO1)CC2 ZINC000743913691 1073553168 /nfs/dbraw/zinc/55/31/68/1073553168.db2.gz GXOAUIRKKUHRTA-CVEARBPZSA-N 1 1 436.534 -0.147 20 0 IBADMO 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CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000788050072 1073762441 /nfs/dbraw/zinc/76/24/41/1073762441.db2.gz OVMZNBYQSRBMOS-HNNXBMFYSA-N 1 1 441.529 -0.935 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000788050073 1073762373 /nfs/dbraw/zinc/76/23/73/1073762373.db2.gz OVMZNBYQSRBMOS-OAHLLOKOSA-N 1 1 441.529 -0.935 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000788050108 1073762428 /nfs/dbraw/zinc/76/24/28/1073762428.db2.gz QEIPOAKTSWVFRR-HNNXBMFYSA-N 1 1 425.530 -0.268 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000788050109 1073762460 /nfs/dbraw/zinc/76/24/60/1073762460.db2.gz QEIPOAKTSWVFRR-OAHLLOKOSA-N 1 1 425.530 -0.268 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC000788050114 1073762236 /nfs/dbraw/zinc/76/22/36/1073762236.db2.gz QIERMQRSLBXKND-HNNXBMFYSA-N 1 1 425.530 -0.219 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC000788050115 1073762476 /nfs/dbraw/zinc/76/24/76/1073762476.db2.gz QIERMQRSLBXKND-OAHLLOKOSA-N 1 1 425.530 -0.219 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000788050137 1073762315 /nfs/dbraw/zinc/76/23/15/1073762315.db2.gz RJJAEXCTICGMFZ-CQSZACIVSA-N 1 1 425.530 -0.219 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000788050237 1073762296 /nfs/dbraw/zinc/76/22/96/1073762296.db2.gz SFYQHRVVMYIHSN-GOSISDBHSA-N 1 1 429.521 -0.067 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000788050239 1073762388 /nfs/dbraw/zinc/76/23/88/1073762388.db2.gz SFYQHRVVMYIHSN-SFHVURJKSA-N 1 1 429.521 -0.067 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)CC1 ZINC000788050530 1073762489 /nfs/dbraw/zinc/76/24/89/1073762489.db2.gz ZEEQNQQEAYJULE-HNNXBMFYSA-N 1 1 434.493 -0.594 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)CC1 ZINC000788050531 1073762927 /nfs/dbraw/zinc/76/29/27/1073762927.db2.gz ZEEQNQQEAYJULE-OAHLLOKOSA-N 1 1 434.493 -0.594 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000788050545 1073763036 /nfs/dbraw/zinc/76/30/36/1073763036.db2.gz ZPHILVCSGCNNFR-HNNXBMFYSA-N 1 1 425.530 -0.171 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000788050546 1073763005 /nfs/dbraw/zinc/76/30/05/1073763005.db2.gz ZPHILVCSGCNNFR-OAHLLOKOSA-N 1 1 425.530 -0.171 20 0 IBADMO CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000788050585 1073762899 /nfs/dbraw/zinc/76/28/99/1073762899.db2.gz AWTBQCMIXMPBTP-CABCVRRESA-N 1 1 425.530 -0.314 20 0 IBADMO CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000788050586 1073762979 /nfs/dbraw/zinc/76/29/79/1073762979.db2.gz AWTBQCMIXMPBTP-GJZGRUSLSA-N 1 1 425.530 -0.314 20 0 IBADMO CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000788050587 1073763022 /nfs/dbraw/zinc/76/30/22/1073763022.db2.gz AWTBQCMIXMPBTP-HUUCEWRRSA-N 1 1 425.530 -0.314 20 0 IBADMO CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000788050588 1073762806 /nfs/dbraw/zinc/76/28/06/1073762806.db2.gz AWTBQCMIXMPBTP-LSDHHAIUSA-N 1 1 425.530 -0.314 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000788050592 1073762204 /nfs/dbraw/zinc/76/22/04/1073762204.db2.gz AYEKPCJIKVIVID-HNNXBMFYSA-N 1 1 425.530 -0.171 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000788050593 1073762331 /nfs/dbraw/zinc/76/23/31/1073762331.db2.gz AYEKPCJIKVIVID-OAHLLOKOSA-N 1 1 425.530 -0.171 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000788050854 1073763501 /nfs/dbraw/zinc/76/35/01/1073763501.db2.gz DAQYSSXFNAWLMT-HNNXBMFYSA-N 1 1 427.546 -0.022 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000788050859 1073763424 /nfs/dbraw/zinc/76/34/24/1073763424.db2.gz DAQYSSXFNAWLMT-OAHLLOKOSA-N 1 1 427.546 -0.022 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC000788050958 1073762838 /nfs/dbraw/zinc/76/28/38/1073762838.db2.gz DUDFYLKBBQODBY-AWEZNQCLSA-N 1 1 425.530 -0.219 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000788050959 1073762775 /nfs/dbraw/zinc/76/27/75/1073762775.db2.gz DUDFYLKBBQODBY-CQSZACIVSA-N 1 1 425.530 -0.219 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000788050961 1073762761 /nfs/dbraw/zinc/76/27/61/1073762761.db2.gz DUIFBHKQWCTABD-CVEARBPZSA-N 1 1 438.550 -0.274 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000788050962 1073762870 /nfs/dbraw/zinc/76/28/70/1073762870.db2.gz DUIFBHKQWCTABD-HOTGVXAUSA-N 1 1 438.550 -0.274 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000788050963 1073763591 /nfs/dbraw/zinc/76/35/91/1073763591.db2.gz DUIFBHKQWCTABD-HZPDHXFCSA-N 1 1 438.550 -0.274 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000788050964 1073763549 /nfs/dbraw/zinc/76/35/49/1073763549.db2.gz DUIFBHKQWCTABD-JKSUJKDBSA-N 1 1 438.550 -0.274 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC000788050965 1073763376 /nfs/dbraw/zinc/76/33/76/1073763376.db2.gz DWBDVSUBMQHGCG-UHFFFAOYSA-N 1 1 435.472 -0.411 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000788051321 1073762822 /nfs/dbraw/zinc/76/28/22/1073762822.db2.gz ICOJSBMNSOWLIS-GOSISDBHSA-N 1 1 429.521 -0.380 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000788051322 1073762961 /nfs/dbraw/zinc/76/29/61/1073762961.db2.gz ICOJSBMNSOWLIS-SFHVURJKSA-N 1 1 429.521 -0.380 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000788051363 1073762991 /nfs/dbraw/zinc/76/29/91/1073762991.db2.gz JPGKDIHHEISBHK-GOSISDBHSA-N 1 1 429.521 -0.428 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000788051364 1073762915 /nfs/dbraw/zinc/76/29/15/1073762915.db2.gz JPGKDIHHEISBHK-SFHVURJKSA-N 1 1 429.521 -0.428 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000788051394 1073763048 /nfs/dbraw/zinc/76/30/48/1073763048.db2.gz KQYSHPADHUECNZ-UHFFFAOYSA-N 1 1 425.530 -0.123 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788051621 1073762944 /nfs/dbraw/zinc/76/29/44/1073762944.db2.gz LVGHEAHYPCOHMH-UHFFFAOYSA-N 1 1 437.541 -0.004 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788051688 1073762854 /nfs/dbraw/zinc/76/28/54/1073762854.db2.gz OFJKWCFTMIYGDP-UHFFFAOYSA-N 1 1 425.530 -0.171 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788051797 1073762883 /nfs/dbraw/zinc/76/28/83/1073762883.db2.gz OOGBOOBDRWOQFD-UHFFFAOYSA-N 1 1 425.530 -0.218 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)CC1 ZINC000788052607 1073763529 /nfs/dbraw/zinc/76/35/29/1073763529.db2.gz RGUXGBRBTNEXCM-UHFFFAOYSA-N 1 1 436.944 -0.294 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000788052618 1073763442 /nfs/dbraw/zinc/76/34/42/1073763442.db2.gz RJJAEXCTICGMFZ-AWEZNQCLSA-N 1 1 425.530 -0.219 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000788053145 1073763461 /nfs/dbraw/zinc/76/34/61/1073763461.db2.gz TWOODVIPINAPQF-UHFFFAOYSA-N 1 1 425.530 -0.171 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000788053207 1073763609 /nfs/dbraw/zinc/76/36/09/1073763609.db2.gz UMNOWGOFBFSFKF-HNNXBMFYSA-N 1 1 425.530 -0.268 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000788053212 1073763576 /nfs/dbraw/zinc/76/35/76/1073763576.db2.gz UMNOWGOFBFSFKF-OAHLLOKOSA-N 1 1 425.530 -0.268 20 0 IBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000788053270 1073763354 /nfs/dbraw/zinc/76/33/54/1073763354.db2.gz VAGMAVQOIIVJFH-UHFFFAOYSA-N 1 1 445.520 -0.206 20 0 IBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](NC(=O)OCC)C2)CC1 ZINC000788068332 1073763898 /nfs/dbraw/zinc/76/38/98/1073763898.db2.gz IPOJVRWGYAYIOU-INIZCTEOSA-N 1 1 425.530 -0.170 20 0 IBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](NC(=O)OCC)C2)CC1 ZINC000788068335 1073075455 /nfs/dbraw/zinc/07/54/55/1073075455.db2.gz IPOJVRWGYAYIOU-MRXNPFEDSA-N 1 1 425.530 -0.170 20 0 IBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000788076866 1073763993 /nfs/dbraw/zinc/76/39/93/1073763993.db2.gz RSUDGEQRDDJWAM-UHFFFAOYSA-N 1 1 425.530 -0.171 20 0 IBADMO 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COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000808025772 1073936348 /nfs/dbraw/zinc/93/63/48/1073936348.db2.gz DYIREFNGBBGBAI-IXDOHACOSA-N 1 1 437.541 -0.266 20 0 IBADMO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000808025773 1073936417 /nfs/dbraw/zinc/93/64/17/1073936417.db2.gz DYIREFNGBBGBAI-ULQDDVLXSA-N 1 1 437.541 -0.266 20 0 IBADMO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000808025774 1073936189 /nfs/dbraw/zinc/93/61/89/1073936189.db2.gz DYIREFNGBBGBAI-YESZJQIVSA-N 1 1 437.541 -0.266 20 0 IBADMO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000808027887 1073936993 /nfs/dbraw/zinc/93/69/93/1073936993.db2.gz NSKJJPBBSMRXHL-CVEARBPZSA-N 1 1 425.530 -0.408 20 0 IBADMO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000808027888 1073936957 /nfs/dbraw/zinc/93/69/57/1073936957.db2.gz NSKJJPBBSMRXHL-HOTGVXAUSA-N 1 1 425.530 -0.408 20 0 IBADMO COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000808027889 1073936930 /nfs/dbraw/zinc/93/69/30/1073936930.db2.gz NSKJJPBBSMRXHL-HZPDHXFCSA-N 1 1 425.530 -0.408 20 0 IBADMO COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000808027890 1073936982 /nfs/dbraw/zinc/93/69/82/1073936982.db2.gz NSKJJPBBSMRXHL-JKSUJKDBSA-N 1 1 425.530 -0.408 20 0 IBADMO CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000808037403 1073934448 /nfs/dbraw/zinc/93/44/48/1073934448.db2.gz LRWVRIAUDYEOBW-DLBZAZTESA-N 1 1 439.557 -0.018 20 0 IBADMO CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000808037404 1073934539 /nfs/dbraw/zinc/93/45/39/1073934539.db2.gz LRWVRIAUDYEOBW-IAGOWNOFSA-N 1 1 439.557 -0.018 20 0 IBADMO CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000808037405 1073934499 /nfs/dbraw/zinc/93/44/99/1073934499.db2.gz LRWVRIAUDYEOBW-IRXDYDNUSA-N 1 1 439.557 -0.018 20 0 IBADMO CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000808037507 1073935107 /nfs/dbraw/zinc/93/51/07/1073935107.db2.gz LRWVRIAUDYEOBW-SJORKVTESA-N 1 1 439.557 -0.018 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1=O ZINC000808268826 1073943114 /nfs/dbraw/zinc/94/31/14/1073943114.db2.gz APNHKTDPCBQVCR-INIZCTEOSA-N 1 1 442.538 -0.223 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1=O ZINC000808268827 1073943080 /nfs/dbraw/zinc/94/30/80/1073943080.db2.gz APNHKTDPCBQVCR-MRXNPFEDSA-N 1 1 442.538 -0.223 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1=O ZINC000808269025 1073942363 /nfs/dbraw/zinc/94/23/63/1073942363.db2.gz DVHXVSWXGMGCQO-CVEARBPZSA-N 1 1 430.509 -0.380 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1=O ZINC000808269026 1073942250 /nfs/dbraw/zinc/94/22/50/1073942250.db2.gz DVHXVSWXGMGCQO-HOTGVXAUSA-N 1 1 430.509 -0.380 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1=O ZINC000808269027 1073942352 /nfs/dbraw/zinc/94/23/52/1073942352.db2.gz DVHXVSWXGMGCQO-HZPDHXFCSA-N 1 1 430.509 -0.380 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1=O ZINC000808269028 1073942292 /nfs/dbraw/zinc/94/22/92/1073942292.db2.gz DVHXVSWXGMGCQO-JKSUJKDBSA-N 1 1 430.509 -0.380 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1=O ZINC000808270392 1073943694 /nfs/dbraw/zinc/94/36/94/1073943694.db2.gz WEHWVECRXIGYQA-BVGQSLNGSA-N 1 1 436.534 -0.014 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1=O ZINC000808270396 1073943256 /nfs/dbraw/zinc/94/32/56/1073943256.db2.gz WEHWVECRXIGYQA-FSPWUOQZSA-N 1 1 436.534 -0.014 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1=O ZINC000808270398 1073942818 /nfs/dbraw/zinc/94/28/18/1073942818.db2.gz WEHWVECRXIGYQA-JEBQAFNWSA-N 1 1 436.534 -0.014 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CC1=O ZINC000808270400 1073943715 /nfs/dbraw/zinc/94/37/15/1073943715.db2.gz WEHWVECRXIGYQA-XWIAVFTESA-N 1 1 436.534 -0.014 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1=O ZINC000808270495 1073943673 /nfs/dbraw/zinc/94/36/73/1073943673.db2.gz XRNDAGFOTNEEPT-CRAIPNDOSA-N 1 1 430.509 -0.598 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1=O ZINC000808270497 1073943595 /nfs/dbraw/zinc/94/35/95/1073943595.db2.gz XRNDAGFOTNEEPT-MAUKXSAKSA-N 1 1 430.509 -0.598 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1=O ZINC000808270498 1073943735 /nfs/dbraw/zinc/94/37/35/1073943735.db2.gz XRNDAGFOTNEEPT-QAPCUYQASA-N 1 1 430.509 -0.598 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1=O ZINC000808270501 1073943753 /nfs/dbraw/zinc/94/37/53/1073943753.db2.gz XRNDAGFOTNEEPT-YJBOKZPZSA-N 1 1 430.509 -0.598 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1=O ZINC000808270664 1073943158 /nfs/dbraw/zinc/94/31/58/1073943158.db2.gz KAHDPRIDRQOYJW-AWEZNQCLSA-N 1 1 433.534 -0.020 20 0 IBADMO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1=O ZINC000808270664 1073943150 /nfs/dbraw/zinc/94/31/50/1073943150.db2.gz KAHDPRIDRQOYJW-AWEZNQCLSA-N 1 1 433.534 -0.020 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1=O ZINC000808270666 1073942886 /nfs/dbraw/zinc/94/28/86/1073942886.db2.gz KAHDPRIDRQOYJW-CQSZACIVSA-N 1 1 433.534 -0.020 20 0 IBADMO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1=O ZINC000808270666 1073942875 /nfs/dbraw/zinc/94/28/75/1073942875.db2.gz KAHDPRIDRQOYJW-CQSZACIVSA-N 1 1 433.534 -0.020 20 0 IBADMO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)ccc1F ZINC000808270701 1073943013 /nfs/dbraw/zinc/94/30/13/1073943013.db2.gz YRSXQMQJVIJJIJ-AWEZNQCLSA-N 1 1 430.502 -0.357 20 0 IBADMO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)ccc1F ZINC000808270703 1073942748 /nfs/dbraw/zinc/94/27/48/1073942748.db2.gz YRSXQMQJVIJJIJ-CQSZACIVSA-N 1 1 430.502 -0.357 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1=O ZINC000808270863 1073943185 /nfs/dbraw/zinc/94/31/85/1073943185.db2.gz LTLGUKRCLKBDFS-CRAIPNDOSA-N 1 1 448.499 -0.459 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1=O ZINC000808270864 1073942776 /nfs/dbraw/zinc/94/27/76/1073942776.db2.gz LTLGUKRCLKBDFS-MAUKXSAKSA-N 1 1 448.499 -0.459 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1=O ZINC000808270865 1073943055 /nfs/dbraw/zinc/94/30/55/1073943055.db2.gz LTLGUKRCLKBDFS-QAPCUYQASA-N 1 1 448.499 -0.459 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1=O ZINC000808270866 1073942914 /nfs/dbraw/zinc/94/29/14/1073942914.db2.gz LTLGUKRCLKBDFS-YJBOKZPZSA-N 1 1 448.499 -0.459 20 0 IBADMO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2=O)c1 ZINC000808816124 1073949856 /nfs/dbraw/zinc/94/98/56/1073949856.db2.gz ZZAKXUBNHCAJTQ-CCKFTAQKSA-N 1 1 446.504 -0.095 20 0 IBADMO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)C2=O)c1 ZINC000808816127 1073949763 /nfs/dbraw/zinc/94/97/63/1073949763.db2.gz ZZAKXUBNHCAJTQ-JVPBZIDWSA-N 1 1 446.504 -0.095 20 0 IBADMO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2=O)c1 ZINC000808816129 1073949709 /nfs/dbraw/zinc/94/97/09/1073949709.db2.gz ZZAKXUBNHCAJTQ-KYNGSXCRSA-N 1 1 446.504 -0.095 20 0 IBADMO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2=O)c1 ZINC000808816130 1073949793 /nfs/dbraw/zinc/94/97/93/1073949793.db2.gz ZZAKXUBNHCAJTQ-ZMYBRWDISA-N 1 1 446.504 -0.095 20 0 IBADMO CC(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000808963341 1073951962 /nfs/dbraw/zinc/95/19/62/1073951962.db2.gz FGFPLGRGHWHYLO-UHFFFAOYSA-N 1 1 438.550 -0.119 20 0 IBADMO CN(CCCNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)CC[NH+](C)C ZINC000809191462 1073955279 /nfs/dbraw/zinc/95/52/79/1073955279.db2.gz XOKLHQOFJJYAEO-UHFFFAOYSA-N 1 1 428.335 -0.108 20 0 IBADMO CN(C)CC[N@@H+](C)CCCNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000809191462 1073955274 /nfs/dbraw/zinc/95/52/74/1073955274.db2.gz XOKLHQOFJJYAEO-UHFFFAOYSA-N 1 1 428.335 -0.108 20 0 IBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CCC(O)(c3cccnc3)CC2)CC1 ZINC000809326513 1073958455 /nfs/dbraw/zinc/95/84/55/1073958455.db2.gz PWROMWQEJSOTRR-UHFFFAOYSA-N 1 1 431.537 -0.050 20 0 IBADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000809401297 1073960432 /nfs/dbraw/zinc/96/04/32/1073960432.db2.gz LMIWYQKNVROUSB-PBHICJAKSA-N 1 1 445.545 -0.121 20 0 IBADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000809401298 1073960392 /nfs/dbraw/zinc/96/03/92/1073960392.db2.gz LMIWYQKNVROUSB-RHSMWYFYSA-N 1 1 445.545 -0.121 20 0 IBADMO 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XZGMRNMHRRKQAA-ARFHVFGLSA-N 1 1 427.523 -0.947 20 0 IBADMO Cc1nc(C[N@H+]2CCCC23CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC3)cs1 ZINC001144897253 1074078896 /nfs/dbraw/zinc/07/88/96/1074078896.db2.gz XZGMRNMHRRKQAA-BZUAXINKSA-N 1 1 427.523 -0.947 20 0 IBADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC3)cs1 ZINC001144897253 1074078885 /nfs/dbraw/zinc/07/88/85/1074078885.db2.gz XZGMRNMHRRKQAA-BZUAXINKSA-N 1 1 427.523 -0.947 20 0 IBADMO Cc1nc(C[N@H+]2CCCC23CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC3)cs1 ZINC001144897254 1074079020 /nfs/dbraw/zinc/07/90/20/1074079020.db2.gz XZGMRNMHRRKQAA-HRCADAONSA-N 1 1 427.523 -0.947 20 0 IBADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC3)cs1 ZINC001144897254 1074079019 /nfs/dbraw/zinc/07/90/19/1074079019.db2.gz XZGMRNMHRRKQAA-HRCADAONSA-N 1 1 427.523 -0.947 20 0 IBADMO Cc1nc(C[N@H+]2CCCC23CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC3)cs1 ZINC001144897255 1074079012 /nfs/dbraw/zinc/07/90/12/1074079012.db2.gz XZGMRNMHRRKQAA-OWCLPIDISA-N 1 1 427.523 -0.947 20 0 IBADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC3)cs1 ZINC001144897255 1074079007 /nfs/dbraw/zinc/07/90/07/1074079007.db2.gz XZGMRNMHRRKQAA-OWCLPIDISA-N 1 1 427.523 -0.947 20 0 IBADMO O=C(C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899572 1074079282 /nfs/dbraw/zinc/07/92/82/1074079282.db2.gz LJZWUSYTFDWDMI-CIAFKFPVSA-N 1 1 442.512 -0.066 20 0 IBADMO O=C(C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899573 1074079415 /nfs/dbraw/zinc/07/94/15/1074079415.db2.gz LJZWUSYTFDWDMI-CLAROIROSA-N 1 1 442.512 -0.066 20 0 IBADMO O=C(C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899574 1074079394 /nfs/dbraw/zinc/07/93/94/1074079394.db2.gz LJZWUSYTFDWDMI-GXRSIYKFSA-N 1 1 442.512 -0.066 20 0 IBADMO O=C(C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899575 1074079482 /nfs/dbraw/zinc/07/94/82/1074079482.db2.gz LJZWUSYTFDWDMI-YUMYIRISSA-N 1 1 442.512 -0.066 20 0 IBADMO CCOC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c2)CC1 ZINC001144905906 1074080920 /nfs/dbraw/zinc/08/09/20/1074080920.db2.gz REOZAPFLVSGGFS-FGTMMUONSA-N 1 1 438.477 -0.956 20 0 IBADMO CCOC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c2)CC1 ZINC001144905910 1074080961 /nfs/dbraw/zinc/08/09/61/1074080961.db2.gz REOZAPFLVSGGFS-KZNAEPCWSA-N 1 1 438.477 -0.956 20 0 IBADMO CCOC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c2)CC1 ZINC001144905915 1074081043 /nfs/dbraw/zinc/08/10/43/1074081043.db2.gz REOZAPFLVSGGFS-OKZBNKHCSA-N 1 1 438.477 -0.956 20 0 IBADMO CCOC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c2)CC1 ZINC001144905919 1074081029 /nfs/dbraw/zinc/08/10/29/1074081029.db2.gz REOZAPFLVSGGFS-RCCFBDPRSA-N 1 1 438.477 -0.956 20 0 IBADMO O=C(NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144908533 1074082467 /nfs/dbraw/zinc/08/24/67/1074082467.db2.gz ZJTBJGANPWYJFI-ARFHVFGLSA-N 1 1 434.411 -0.570 20 0 IBADMO O=C(NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144908534 1074082422 /nfs/dbraw/zinc/08/24/22/1074082422.db2.gz ZJTBJGANPWYJFI-BZUAXINKSA-N 1 1 434.411 -0.570 20 0 IBADMO O=C(NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144908535 1074082568 /nfs/dbraw/zinc/08/25/68/1074082568.db2.gz ZJTBJGANPWYJFI-HRCADAONSA-N 1 1 434.411 -0.570 20 0 IBADMO O=C(NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144908536 1074082540 /nfs/dbraw/zinc/08/25/40/1074082540.db2.gz ZJTBJGANPWYJFI-OWCLPIDISA-N 1 1 434.411 -0.570 20 0 IBADMO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1C ZINC001144918577 1074082955 /nfs/dbraw/zinc/08/29/55/1074082955.db2.gz IAKGJPRTVVKISR-AEFFLSMTSA-N 1 1 438.550 -0.507 20 0 IBADMO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1C ZINC001144918577 1074082947 /nfs/dbraw/zinc/08/29/47/1074082947.db2.gz IAKGJPRTVVKISR-AEFFLSMTSA-N 1 1 438.550 -0.507 20 0 IBADMO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1C ZINC001144918613 1074083087 /nfs/dbraw/zinc/08/30/87/1074083087.db2.gz IAKGJPRTVVKISR-SJLPKXTDSA-N 1 1 438.550 -0.507 20 0 IBADMO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1C ZINC001144918613 1074083078 /nfs/dbraw/zinc/08/30/78/1074083078.db2.gz IAKGJPRTVVKISR-SJLPKXTDSA-N 1 1 438.550 -0.507 20 0 IBADMO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC001144919416 1074083059 /nfs/dbraw/zinc/08/30/59/1074083059.db2.gz VEYIUMDTFQEZDL-GOSISDBHSA-N 1 1 436.534 -0.570 20 0 IBADMO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC001144919416 1074083050 /nfs/dbraw/zinc/08/30/50/1074083050.db2.gz VEYIUMDTFQEZDL-GOSISDBHSA-N 1 1 436.534 -0.570 20 0 IBADMO COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001144943438 1074082811 /nfs/dbraw/zinc/08/28/11/1074082811.db2.gz IHPSQCRPFDFNKF-BZSNNMDCSA-N 1 1 428.493 -0.508 20 0 IBADMO COc1cccc(C[C@@H]([NH3+])C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001144943440 1074082847 /nfs/dbraw/zinc/08/28/47/1074082847.db2.gz IHPSQCRPFDFNKF-SQNIBIBYSA-N 1 1 428.493 -0.508 20 0 IBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CC[C@H](NC(C)=O)C(=O)OC)C2)C1 ZINC001144956658 1074083761 /nfs/dbraw/zinc/08/37/61/1074083761.db2.gz CVCXXRVMAGJZJI-JXFKEZNVSA-N 1 1 426.514 -0.869 20 0 IBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CC[C@H](NC(C)=O)C(=O)OC)C2)C1 ZINC001144956658 1074083755 /nfs/dbraw/zinc/08/37/55/1074083755.db2.gz CVCXXRVMAGJZJI-JXFKEZNVSA-N 1 1 426.514 -0.869 20 0 IBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CC[C@H](NC(C)=O)C(=O)OC)C2)C1 ZINC001144956659 1074083740 /nfs/dbraw/zinc/08/37/40/1074083740.db2.gz CVCXXRVMAGJZJI-OXJNMPFZSA-N 1 1 426.514 -0.869 20 0 IBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CC[C@H](NC(C)=O)C(=O)OC)C2)C1 ZINC001144956659 1074083733 /nfs/dbraw/zinc/08/37/33/1074083733.db2.gz CVCXXRVMAGJZJI-OXJNMPFZSA-N 1 1 426.514 -0.869 20 0 IBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001145062483 1074085285 /nfs/dbraw/zinc/08/52/85/1074085285.db2.gz BZJSQHXPFMNJJF-KRWDZBQOSA-N 1 1 431.603 -0.553 20 0 IBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001145062483 1074085280 /nfs/dbraw/zinc/08/52/80/1074085280.db2.gz BZJSQHXPFMNJJF-KRWDZBQOSA-N 1 1 431.603 -0.553 20 0 IBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001145062487 1074085206 /nfs/dbraw/zinc/08/52/06/1074085206.db2.gz BZJSQHXPFMNJJF-QGZVFWFLSA-N 1 1 431.603 -0.553 20 0 IBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001145062487 1074085197 /nfs/dbraw/zinc/08/51/97/1074085197.db2.gz BZJSQHXPFMNJJF-QGZVFWFLSA-N 1 1 431.603 -0.553 20 0 IBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C2)C1 ZINC001145096875 1074085820 /nfs/dbraw/zinc/08/58/20/1074085820.db2.gz WKDIWMMNCNVEQI-KUDFPVQQSA-N 1 1 442.557 -0.053 20 0 IBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C2)C1 ZINC001145096875 1074085817 /nfs/dbraw/zinc/08/58/17/1074085817.db2.gz WKDIWMMNCNVEQI-KUDFPVQQSA-N 1 1 442.557 -0.053 20 0 IBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C2)C1 ZINC001145096876 1074085613 /nfs/dbraw/zinc/08/56/13/1074085613.db2.gz WKDIWMMNCNVEQI-LDBYXDLTSA-N 1 1 442.557 -0.053 20 0 IBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C2)C1 ZINC001145096876 1074085599 /nfs/dbraw/zinc/08/55/99/1074085599.db2.gz WKDIWMMNCNVEQI-LDBYXDLTSA-N 1 1 442.557 -0.053 20 0 IBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@](C)(CO)NC(=O)OC(C)(C)C)C2)C1 ZINC001145111038 1074086212 /nfs/dbraw/zinc/08/62/12/1074086212.db2.gz RTTRGSZQKVWQRT-LEWJYISDSA-N 1 1 442.557 -0.051 20 0 IBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@](C)(CO)NC(=O)OC(C)(C)C)C2)C1 ZINC001145111038 1074086206 /nfs/dbraw/zinc/08/62/06/1074086206.db2.gz RTTRGSZQKVWQRT-LEWJYISDSA-N 1 1 442.557 -0.051 20 0 IBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@](C)(CO)NC(=O)OC(C)(C)C)C2)C1 ZINC001145111048 1074086130 /nfs/dbraw/zinc/08/61/30/1074086130.db2.gz RTTRGSZQKVWQRT-SFTDATJTSA-N 1 1 442.557 -0.051 20 0 IBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@](C)(CO)NC(=O)OC(C)(C)C)C2)C1 ZINC001145111048 1074086125 /nfs/dbraw/zinc/08/61/25/1074086125.db2.gz RTTRGSZQKVWQRT-SFTDATJTSA-N 1 1 442.557 -0.051 20 0 IBADMO O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001146196310 1074090948 /nfs/dbraw/zinc/09/09/48/1074090948.db2.gz KJPJYOOLYGCYGJ-GOSISDBHSA-N 1 1 425.551 -0.482 20 0 IBADMO O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001146196314 1074091005 /nfs/dbraw/zinc/09/10/05/1074091005.db2.gz KJPJYOOLYGCYGJ-SFHVURJKSA-N 1 1 425.551 -0.482 20 0 IBADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC2 ZINC001146236297 1074092210 /nfs/dbraw/zinc/09/22/10/1074092210.db2.gz RMDNLQOUUIQHGZ-UHFFFAOYSA-N 1 1 425.530 -0.170 20 0 IBADMO COCC[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001146236637 1074092514 /nfs/dbraw/zinc/09/25/14/1074092514.db2.gz BJTUNEDHTGGLSY-HZPDHXFCSA-N 1 1 428.530 -0.177 20 0 IBADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1N3C(=O)C[C@H]3S(=O)(=O)C1(C)C)CC2 ZINC001146254044 1074090855 /nfs/dbraw/zinc/09/08/55/1074090855.db2.gz BFELVFMOROEVNY-CVEARBPZSA-N 1 1 426.539 -0.677 20 0 IBADMO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1N3C(=O)C[C@H]3S(=O)(=O)C1(C)C)CC2 ZINC001146254044 1074090850 /nfs/dbraw/zinc/09/08/50/1074090850.db2.gz BFELVFMOROEVNY-CVEARBPZSA-N 1 1 426.539 -0.677 20 0 IBADMO CC1(C)[C@H](C(=O)N2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146254343 1074091371 /nfs/dbraw/zinc/09/13/71/1074091371.db2.gz ATAGKZFFSRMHSA-SJORKVTESA-N 1 1 448.549 -0.141 20 0 IBADMO COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3N4C(=O)C[C@H]4S(=O)(=O)C3(C)C)CC[C@@H]2C1 ZINC001146254446 1074091327 /nfs/dbraw/zinc/09/13/27/1074091327.db2.gz JKOYZIQEFPQBMY-SRABZTEZSA-N 1 1 429.539 -0.684 20 0 IBADMO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3N4C(=O)C[C@H]4S(=O)(=O)C3(C)C)CC[C@@H]2C1 ZINC001146254446 1074091322 /nfs/dbraw/zinc/09/13/22/1074091322.db2.gz JKOYZIQEFPQBMY-SRABZTEZSA-N 1 1 429.539 -0.684 20 0 IBADMO CC1(C)[C@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146254612 1074091412 /nfs/dbraw/zinc/09/14/12/1074091412.db2.gz MIJDBJDMLNHLTA-CVEARBPZSA-N 1 1 446.489 -0.223 20 0 IBADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCC1)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001146576402 1074095690 /nfs/dbraw/zinc/09/56/90/1074095690.db2.gz JFTNFCLKWGNTGR-HJWJTTGWSA-N 1 1 440.545 -0.335 20 0 IBADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCC1)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001146576403 1074095868 /nfs/dbraw/zinc/09/58/68/1074095868.db2.gz JFTNFCLKWGNTGR-ORQFMDKSSA-N 1 1 440.545 -0.335 20 0 IBADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCC1)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001146576404 1074095670 /nfs/dbraw/zinc/09/56/70/1074095670.db2.gz JFTNFCLKWGNTGR-PQEBFOHHSA-N 1 1 440.545 -0.335 20 0 IBADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCC1)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001146576405 1074095811 /nfs/dbraw/zinc/09/58/11/1074095811.db2.gz JFTNFCLKWGNTGR-QSPRXWTASA-N 1 1 440.545 -0.335 20 0 IBADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)C(=O)OCc1ccccc1 ZINC001146595283 1074095827 /nfs/dbraw/zinc/09/58/27/1074095827.db2.gz NOXHRZSKQRYFIH-BGTYHANMSA-N 1 1 448.524 -0.468 20 0 IBADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)C(=O)OCc1ccccc1 ZINC001146595287 1074095782 /nfs/dbraw/zinc/09/57/82/1074095782.db2.gz NOXHRZSKQRYFIH-LAVFITLUSA-N 1 1 448.524 -0.468 20 0 IBADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)C(=O)OCc1ccccc1 ZINC001146595289 1074095618 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1073130698 /nfs/dbraw/zinc/13/06/98/1073130698.db2.gz MSRRHAHVNAEISQ-HNNXBMFYSA-N 1 1 442.538 -0.245 20 0 IBADMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C[C@H]1C ZINC001152771960 1073131524 /nfs/dbraw/zinc/13/15/24/1073131524.db2.gz MSRRHAHVNAEISQ-OAHLLOKOSA-N 1 1 442.538 -0.245 20 0 IBADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C[C@H]1C ZINC001152771960 1073131516 /nfs/dbraw/zinc/13/15/16/1073131516.db2.gz MSRRHAHVNAEISQ-OAHLLOKOSA-N 1 1 442.538 -0.245 20 0 IBADMO C[N@@H+](CCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)CCOCCO ZINC001153234278 1073135596 /nfs/dbraw/zinc/13/55/96/1073135596.db2.gz YKTUNGOABBQIKF-UHFFFAOYSA-N 1 1 428.536 -0.031 20 0 IBADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001153324755 1073136248 /nfs/dbraw/zinc/13/62/48/1073136248.db2.gz CCPAZFCVYOOFOH-PMACEKPBSA-N 1 1 437.585 -0.920 20 0 IBADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001153324756 1073136164 /nfs/dbraw/zinc/13/61/64/1073136164.db2.gz CCPAZFCVYOOFOH-UXHICEINSA-N 1 1 437.585 -0.920 20 0 IBADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001153324757 1073136174 /nfs/dbraw/zinc/13/61/74/1073136174.db2.gz CCPAZFCVYOOFOH-VQTJNVASSA-N 1 1 437.585 -0.920 20 0 IBADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001153324758 1073136256 /nfs/dbraw/zinc/13/62/56/1073136256.db2.gz CCPAZFCVYOOFOH-WOJBJXKFSA-N 1 1 437.585 -0.920 20 0 IBADMO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC001153326676 1073136241 /nfs/dbraw/zinc/13/62/41/1073136241.db2.gz NUAPRKSRHUMXIM-KRWDZBQOSA-N 1 1 425.555 -0.142 20 0 IBADMO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC001153326678 1073136230 /nfs/dbraw/zinc/13/62/30/1073136230.db2.gz NUAPRKSRHUMXIM-QGZVFWFLSA-N 1 1 425.555 -0.142 20 0 IBADMO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1 ZINC001153780738 1073137957 /nfs/dbraw/zinc/13/79/57/1073137957.db2.gz VJZAEVVIZDYUPU-NWDGAFQWSA-N 1 1 430.914 -0.615 20 0 IBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001154419109 1073143409 /nfs/dbraw/zinc/14/34/09/1073143409.db2.gz KPRTWGSYDCCVTC-AWEZNQCLSA-N 1 1 447.579 -0.328 20 0 IBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001154419110 1073143373 /nfs/dbraw/zinc/14/33/73/1073143373.db2.gz KPRTWGSYDCCVTC-CQSZACIVSA-N 1 1 447.579 -0.328 20 0 IBADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC001154680464 1073144601 /nfs/dbraw/zinc/14/46/01/1073144601.db2.gz XWLGIHCWRUDGRH-KRWDZBQOSA-N 1 1 434.522 -0.968 20 0 IBADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC001154680465 1073144556 /nfs/dbraw/zinc/14/45/56/1073144556.db2.gz XWLGIHCWRUDGRH-QGZVFWFLSA-N 1 1 434.522 -0.968 20 0 IBADMO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(C4C[NH+](C)C4)CC3)CC2)cc1 ZINC001154771470 1073145178 /nfs/dbraw/zinc/14/51/78/1073145178.db2.gz DZWHSLMWHLNNAK-UHFFFAOYSA-N 1 1 435.594 -0.240 20 0 IBADMO COc1ccc(S(=O)(=O)NCC(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1OC ZINC001154925290 1073146725 /nfs/dbraw/zinc/14/67/25/1073146725.db2.gz ZKENIQZQZKHWSK-UHFFFAOYSA-N 1 1 442.538 -0.395 20 0 IBADMO COc1ccc(S(=O)(=O)NCC(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1OC ZINC001154925290 1073146723 /nfs/dbraw/zinc/14/67/23/1073146723.db2.gz ZKENIQZQZKHWSK-UHFFFAOYSA-N 1 1 442.538 -0.395 20 0 IBADMO COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCC[N@@H+](C)CCO)CC1 ZINC001155251105 1073147685 /nfs/dbraw/zinc/14/76/85/1073147685.db2.gz ICDRXAVIZNPAFT-UHFFFAOYSA-N 1 1 427.523 -0.086 20 0 IBADMO C[N@@H+](CCO)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001155251727 1073147975 /nfs/dbraw/zinc/14/79/75/1073147975.db2.gz XRJAQLPQLZJNCO-UHFFFAOYSA-N 1 1 444.529 -0.521 20 0 IBADMO O=C(c1ccc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)nc1)N1CCS(=O)(=O)CC1 ZINC001155490050 1073149187 /nfs/dbraw/zinc/14/91/87/1073149187.db2.gz RWBAOPUVTMKEKR-UHFFFAOYSA-N 1 1 432.506 -0.386 20 0 IBADMO C[N@H+]1CCN(CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1(C)C ZINC001155559351 1073149633 /nfs/dbraw/zinc/14/96/33/1073149633.db2.gz WDNAWUSWGNHBKB-UHFFFAOYSA-N 1 1 445.973 -0.141 20 0 IBADMO CN(C)C(=O)Cn1cc2c(n1)[C@H](CNc1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)OCC2 ZINC001155716399 1073150885 /nfs/dbraw/zinc/15/08/85/1073150885.db2.gz OKVVLYQSLUSXMD-KRWDZBQOSA-N 1 1 442.524 -0.073 20 0 IBADMO CN(C)C(=O)Cn1cc2c(n1)[C@@H](CNc1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)OCC2 ZINC001155716402 1073150831 /nfs/dbraw/zinc/15/08/31/1073150831.db2.gz OKVVLYQSLUSXMD-QGZVFWFLSA-N 1 1 442.524 -0.073 20 0 IBADMO Cn1nc(I)c2cc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)ccc21 ZINC001155991705 1073152771 /nfs/dbraw/zinc/15/27/71/1073152771.db2.gz XRTGKTCEZJSWNY-DRZSPHRISA-N 1 1 427.250 -0.689 20 0 IBADMO Cn1nc(I)c2cc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)ccc21 ZINC001155991706 1073152759 /nfs/dbraw/zinc/15/27/59/1073152759.db2.gz XRTGKTCEZJSWNY-KGYLQXTDSA-N 1 1 427.250 -0.689 20 0 IBADMO Cn1nc(I)c2cc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)ccc21 ZINC001155991707 1073152779 /nfs/dbraw/zinc/15/27/79/1073152779.db2.gz XRTGKTCEZJSWNY-WCFLWFBJSA-N 1 1 427.250 -0.689 20 0 IBADMO Cn1nc(I)c2cc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)ccc21 ZINC001155991708 1073152852 /nfs/dbraw/zinc/15/28/52/1073152852.db2.gz XRTGKTCEZJSWNY-WXHSDQCUSA-N 1 1 427.250 -0.689 20 0 IBADMO C[C@@H]1C[N@H+](CCN(C)C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@H](C)O1 ZINC001156719271 1073156596 /nfs/dbraw/zinc/15/65/96/1073156596.db2.gz DZUWITLZHBLDNL-GASCZTMLSA-N 1 1 447.579 -0.064 20 0 IBADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@H](C)O1 ZINC001156719271 1073156591 /nfs/dbraw/zinc/15/65/91/1073156591.db2.gz DZUWITLZHBLDNL-GASCZTMLSA-N 1 1 447.579 -0.064 20 0 IBADMO CN1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC[N@@H+](C)CC1 ZINC001156955667 1073157528 /nfs/dbraw/zinc/15/75/28/1073157528.db2.gz DYABBZVXYOMYFS-UHFFFAOYSA-N 1 1 426.539 -0.168 20 0 IBADMO Nc1[nH]c2ccc(C(=O)N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)cc2[nH+]1 ZINC001156971255 1073157440 /nfs/dbraw/zinc/15/74/40/1073157440.db2.gz GFXHZEQOZNATLS-CKEIUWERSA-N 1 1 447.517 -0.121 20 0 IBADMO Nc1[nH]c2ccc(C(=O)N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)cc2[nH+]1 ZINC001156971256 1073157487 /nfs/dbraw/zinc/15/74/87/1073157487.db2.gz GFXHZEQOZNATLS-JJRVBVJISA-N 1 1 447.517 -0.121 20 0 IBADMO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1 ZINC001156991856 1073157401 /nfs/dbraw/zinc/15/74/01/1073157401.db2.gz CVJFCMBVXVDRAW-NEPJUHHUSA-N 1 1 430.914 -0.615 20 0 IBADMO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC001156991857 1073157416 /nfs/dbraw/zinc/15/74/16/1073157416.db2.gz CVJFCMBVXVDRAW-NWDGAFQWSA-N 1 1 430.914 -0.615 20 0 IBADMO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1 ZINC001156991858 1073157546 /nfs/dbraw/zinc/15/75/46/1073157546.db2.gz CVJFCMBVXVDRAW-RYUDHWBXSA-N 1 1 430.914 -0.615 20 0 IBADMO NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC001156991859 1073157474 /nfs/dbraw/zinc/15/74/74/1073157474.db2.gz CVJFCMBVXVDRAW-VXGBXAGGSA-N 1 1 430.914 -0.615 20 0 IBADMO Cc1ccc(S(=O)(=O)n2ncc3cc(C(=O)N4CN[C@H]([NH3+])[C@H]5NCN[C@@H]54)ccc32)cc1 ZINC001157045826 1073157930 /nfs/dbraw/zinc/15/79/30/1073157930.db2.gz CVFDPADDTHSFCC-CEXWTWQISA-N 1 1 441.517 -0.286 20 0 IBADMO Cc1ccc(S(=O)(=O)n2ncc3cc(C(=O)N4CN[C@H]([NH3+])[C@@H]5NCN[C@H]54)ccc32)cc1 ZINC001157045827 1073157938 /nfs/dbraw/zinc/15/79/38/1073157938.db2.gz CVFDPADDTHSFCC-FHWLQOOXSA-N 1 1 441.517 -0.286 20 0 IBADMO Cc1ccc(S(=O)(=O)n2ncc3cc(C(=O)N4CN[C@H]([NH3+])[C@@H]5NCN[C@@H]54)ccc32)cc1 ZINC001157045828 1073157973 /nfs/dbraw/zinc/15/79/73/1073157973.db2.gz CVFDPADDTHSFCC-GBESFXJTSA-N 1 1 441.517 -0.286 20 0 IBADMO Cc1ccc(S(=O)(=O)n2ncc3cc(C(=O)N4CN[C@H]([NH3+])[C@H]5NCN[C@H]54)ccc32)cc1 ZINC001157045829 1073157864 /nfs/dbraw/zinc/15/78/64/1073157864.db2.gz CVFDPADDTHSFCC-QYZOEREBSA-N 1 1 441.517 -0.286 20 0 IBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]([NH3+])Cc1cn(C=O)c2ccccc12 ZINC001157302869 1073159409 /nfs/dbraw/zinc/15/94/09/1073159409.db2.gz AJJDNEAHTQVNBW-MOPGFXCFSA-N 1 1 435.484 -0.122 20 0 IBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001157302914 1073159259 /nfs/dbraw/zinc/15/92/59/1073159259.db2.gz BTEMTUASNKLHIK-ROUUACIJSA-N 1 1 426.473 -0.224 20 0 IBADMO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[NH2+]Cc2ccnn21)C(N)=O ZINC001157308934 1073160248 /nfs/dbraw/zinc/16/02/48/1073160248.db2.gz AZUHGUSPZIGIBP-KURKYZTESA-N 1 1 428.493 -0.413 20 0 IBADMO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[NH2+]Cc2ccnn21)C(N)=O ZINC001157308935 1073160266 /nfs/dbraw/zinc/16/02/66/1073160266.db2.gz AZUHGUSPZIGIBP-SQNIBIBYSA-N 1 1 428.493 -0.413 20 0 IBADMO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc2n(n1)CC[NH2+]C2)C(N)=O ZINC001157323991 1073160723 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1073173665 /nfs/dbraw/zinc/17/36/65/1073173665.db2.gz YARVWHOLAOQXQJ-HOTGVXAUSA-N 1 1 433.557 -0.168 20 0 IBADMO [NH3+]C1(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)COC1 ZINC001158352099 1073174834 /nfs/dbraw/zinc/17/48/34/1073174834.db2.gz KJDVWNXHDWDRFY-JXFKEZNVSA-N 1 1 430.509 -0.892 20 0 IBADMO O=C([C@@H]1COC[NH2+]1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352238 1073174917 /nfs/dbraw/zinc/17/49/17/1073174917.db2.gz LGVFTGPVPKTJMB-FIKGOQFSSA-N 1 1 430.509 -0.674 20 0 IBADMO N[C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)C1 ZINC001158352300 1073174843 /nfs/dbraw/zinc/17/48/43/1073174843.db2.gz OFTKNKISPQEANO-ORGXJRBJSA-N 1 1 443.552 -0.930 20 0 IBADMO N[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)C1 ZINC001158352301 1073174942 /nfs/dbraw/zinc/17/49/42/1073174942.db2.gz OFTKNKISPQEANO-SUWCGCSTSA-N 1 1 443.552 -0.930 20 0 IBADMO [NH3+]CCCNCC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352699 1073174827 /nfs/dbraw/zinc/17/48/27/1073174827.db2.gz VOCCVDMTOXZUOP-AVRDEDQJSA-N 1 1 445.568 -0.681 20 0 IBADMO O=C([C@@H]1COCC[NH2+]1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352700 1073174959 /nfs/dbraw/zinc/17/49/59/1073174959.db2.gz VOINJDXUMQZTRP-SPEDKVCISA-N 1 1 444.536 -0.631 20 0 IBADMO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N3CCS(=O)(=O)CC3)c2)cc1 ZINC001158369297 1073175660 /nfs/dbraw/zinc/17/56/60/1073175660.db2.gz KOEDXNZHRYNFAY-MRXNPFEDSA-N 1 1 426.520 -0.445 20 0 IBADMO C[NH+]1CCN(Cc2cc3nc(N[C@@H](CO)C(N)=O)nc(N4CCOCC4)c3s2)CC1 ZINC001158444233 1073176921 /nfs/dbraw/zinc/17/69/21/1073176921.db2.gz RRDRADDIUQMGCM-HNNXBMFYSA-N 1 1 435.554 -0.467 20 0 IBADMO C[NH+]1CCN(Cc2cc3nc(N[C@H](CO)C(N)=O)nc(N4CCOCC4)c3s2)CC1 ZINC001158444246 1073176974 /nfs/dbraw/zinc/17/69/74/1073176974.db2.gz RRDRADDIUQMGCM-OAHLLOKOSA-N 1 1 435.554 -0.467 20 0 IBADMO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN ZINC001158505954 1073177959 /nfs/dbraw/zinc/17/79/59/1073177959.db2.gz JGQUPPPHIPSUEP-UDTPNQRGSA-N 1 1 427.505 -0.094 20 0 IBADMO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)CC2=O)c1 ZINC001158508613 1073177835 /nfs/dbraw/zinc/17/78/35/1073177835.db2.gz QEZPHYQQRXCXDR-FHLIZLRMSA-N 1 1 436.534 -0.256 20 0 IBADMO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)CC2=O)c1 ZINC001158508615 1073177742 /nfs/dbraw/zinc/17/77/42/1073177742.db2.gz QEZPHYQQRXCXDR-JLSDUUJJSA-N 1 1 436.534 -0.256 20 0 IBADMO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)CC2=O)c1 ZINC001158508617 1073177876 /nfs/dbraw/zinc/17/78/76/1073177876.db2.gz QEZPHYQQRXCXDR-OLMNPRSZSA-N 1 1 436.534 -0.256 20 0 IBADMO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)CC2=O)c1 ZINC001158508620 1073177906 /nfs/dbraw/zinc/17/79/06/1073177906.db2.gz QEZPHYQQRXCXDR-ZTFGCOKTSA-N 1 1 436.534 -0.256 20 0 IBADMO O=C(COCc1nnn2c1CN(C(=O)c1cnn3c1C[NH2+]CC3)CCC2)N1CCCC1 ZINC001158627846 1073179445 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ZINC001159450600 1073215306 /nfs/dbraw/zinc/21/53/06/1073215306.db2.gz BEBJSBHUSGOCGN-XUWVNRHRSA-N 1 1 442.563 -0.867 20 0 IBADMO Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@@H](N)CN4CCC([NH3+])CC4)CC[C@H]3C2=O)n1 ZINC001159451790 1073215700 /nfs/dbraw/zinc/21/57/00/1073215700.db2.gz XHCWXRYLQJMTOC-HKBOAZHASA-N 1 1 444.580 -0.284 20 0 IBADMO Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@H](N)CN4CCC([NH3+])CC4)CC[C@H]3C2=O)n1 ZINC001159451791 1073215761 /nfs/dbraw/zinc/21/57/61/1073215761.db2.gz XHCWXRYLQJMTOC-NJYVYQBISA-N 1 1 444.580 -0.284 20 0 IBADMO Cc1cccc(CN2CCO[C@H]3CN(C(=O)c4nnn5c4C[NH2+]CC5)CC[C@H]3C2=O)n1 ZINC001159451864 1073215741 /nfs/dbraw/zinc/21/57/41/1073215741.db2.gz YUHHDVHORNJHOK-AEFFLSMTSA-N 1 1 425.493 -0.026 20 0 IBADMO [NH3+][C@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)c1ccc(O)cc1 ZINC001159458918 1073217391 /nfs/dbraw/zinc/21/73/91/1073217391.db2.gz RSHKTOQWIVLTNR-MLHJIOFPSA-N 1 1 437.518 -0.488 20 0 IBADMO [NH3+][C@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)c1ccc(O)cc1 ZINC001159458919 1073217304 /nfs/dbraw/zinc/21/73/04/1073217304.db2.gz RSHKTOQWIVLTNR-TVFCKZIOSA-N 1 1 437.518 -0.488 20 0 IBADMO C[C@H]([NH3+])c1ncc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)s1 ZINC001159459044 1073217256 /nfs/dbraw/zinc/21/72/56/1073217256.db2.gz UGEWUCAPCKRKSB-KYEXWDHISA-N 1 1 442.563 -0.103 20 0 IBADMO C[C@@H]([NH3+])c1ncc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)s1 ZINC001159459045 1073217280 /nfs/dbraw/zinc/21/72/80/1073217280.db2.gz UGEWUCAPCKRKSB-QVHKTLOISA-N 1 1 442.563 -0.103 20 0 IBADMO C[C@@H]([NH3+])c1ncc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)s1 ZINC001159459046 1073217186 /nfs/dbraw/zinc/21/71/86/1073217186.db2.gz UGEWUCAPCKRKSB-RGCMKSIDSA-N 1 1 442.563 -0.103 20 0 IBADMO C[C@H]([NH3+])c1ncc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)s1 ZINC001159459047 1073217414 /nfs/dbraw/zinc/21/74/14/1073217414.db2.gz UGEWUCAPCKRKSB-RMRHIDDWSA-N 1 1 442.563 -0.103 20 0 IBADMO O=C(c1noc2c1C[NH2+]CC2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459064 1073217637 /nfs/dbraw/zinc/21/76/37/1073217637.db2.gz USLNGOKOKXIXMA-JGGQBBKZSA-N 1 1 438.506 -0.946 20 0 IBADMO O=C(c1noc2c1C[NH2+]CC2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459065 1073217721 /nfs/dbraw/zinc/21/77/21/1073217721.db2.gz USLNGOKOKXIXMA-XNRPHZJLSA-N 1 1 438.506 -0.946 20 0 IBADMO O=C([C@H]1[NH2+]Cc2ccccc21)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459334 1073217595 /nfs/dbraw/zinc/21/75/95/1073217595.db2.gz YIJDGVBRUFZPGL-MANSERQUSA-N 1 1 433.530 -0.049 20 0 IBADMO O=C([C@H]1[NH2+]Cc2ccccc21)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459335 1073217796 /nfs/dbraw/zinc/21/77/96/1073217796.db2.gz YIJDGVBRUFZPGL-MKXGPGLRSA-N 1 1 433.530 -0.049 20 0 IBADMO O=C([C@@H]1[NH2+]Cc2ccccc21)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459336 1073217834 /nfs/dbraw/zinc/21/78/34/1073217834.db2.gz YIJDGVBRUFZPGL-NCXUSEDFSA-N 1 1 433.530 -0.049 20 0 IBADMO O=C([C@@H]1[NH2+]Cc2ccccc21)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459337 1073217703 /nfs/dbraw/zinc/21/77/03/1073217703.db2.gz YIJDGVBRUFZPGL-WJFTUGDTSA-N 1 1 433.530 -0.049 20 0 IBADMO CC(C)(C)OC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459342 1073218211 /nfs/dbraw/zinc/21/82/11/1073218211.db2.gz YIWIUFQJIDGNJX-LVQVYYBASA-N 1 1 431.555 -0.751 20 0 IBADMO CC(C)(C)OC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459343 1073218198 /nfs/dbraw/zinc/21/81/98/1073218198.db2.gz YIWIUFQJIDGNJX-XUWVNRHRSA-N 1 1 431.555 -0.751 20 0 IBADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)Cn1cnc3c1nc(N)[nH]c3=O)CCC2 ZINC001159481244 1073218080 /nfs/dbraw/zinc/21/80/80/1073218080.db2.gz KONVQHZHEXQMAI-UHFFFAOYSA-N 1 1 441.496 -0.057 20 0 IBADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C2 ZINC001159481416 1073218638 /nfs/dbraw/zinc/21/86/38/1073218638.db2.gz OQFKTJMWMZNOHM-QYUDBREXSA-N 1 1 449.596 -0.352 20 0 IBADMO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C2 ZINC001159481416 1073218631 /nfs/dbraw/zinc/21/86/31/1073218631.db2.gz OQFKTJMWMZNOHM-QYUDBREXSA-N 1 1 449.596 -0.352 20 0 IBADMO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159491324 1073218563 /nfs/dbraw/zinc/21/85/63/1073218563.db2.gz CAJZXNYAXUBAMP-INIZCTEOSA-N 1 1 426.477 -0.590 20 0 IBADMO O=C(c1[nH]nc2c1CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2)N1CCOCC1 ZINC001159491497 1073218709 /nfs/dbraw/zinc/21/87/09/1073218709.db2.gz DDONWVMWEXXHMW-AWEZNQCLSA-N 1 1 437.522 -0.861 20 0 IBADMO O=C(c1[nH]nc2c1CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2)N1CCOCC1 ZINC001159491500 1073218477 /nfs/dbraw/zinc/21/84/77/1073218477.db2.gz DDONWVMWEXXHMW-CQSZACIVSA-N 1 1 437.522 -0.861 20 0 IBADMO O=C([C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159491743 1073218455 /nfs/dbraw/zinc/21/84/55/1073218455.db2.gz DLJRANMLPQYKJG-IVZQSRNASA-N 1 1 436.472 -0.166 20 0 IBADMO O=C([C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159491746 1073219100 /nfs/dbraw/zinc/21/91/00/1073219100.db2.gz DLJRANMLPQYKJG-NYHFZMIOSA-N 1 1 436.472 -0.166 20 0 IBADMO O=C([C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159491749 1073219077 /nfs/dbraw/zinc/21/90/77/1073219077.db2.gz DLJRANMLPQYKJG-OYHNWAKOSA-N 1 1 436.472 -0.166 20 0 IBADMO O=C([C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159491752 1073219065 /nfs/dbraw/zinc/21/90/65/1073219065.db2.gz DLJRANMLPQYKJG-QRQCRPRQSA-N 1 1 436.472 -0.166 20 0 IBADMO O=C(c1[nH]nc2c1CN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@H]1NC3=O)C2)N1CCOCC1 ZINC001159492434 1073219036 /nfs/dbraw/zinc/21/90/36/1073219036.db2.gz JLICBRYWRJFISV-DOTOQJQBSA-N 1 1 436.472 -0.163 20 0 IBADMO O=C(c1[nH]nc2c1CN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@H]1NC3=O)C2)N1CCOCC1 ZINC001159492435 1073218979 /nfs/dbraw/zinc/21/89/79/1073218979.db2.gz JLICBRYWRJFISV-NVXWUHKLSA-N 1 1 436.472 -0.163 20 0 IBADMO O=C(c1[nH]nc2c1CN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@@H]1NC3=O)C2)N1CCOCC1 ZINC001159492436 1073219091 /nfs/dbraw/zinc/21/90/91/1073219091.db2.gz JLICBRYWRJFISV-RDJZCZTQSA-N 1 1 436.472 -0.163 20 0 IBADMO O=C(c1[nH]nc2c1CN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@@H]1NC3=O)C2)N1CCOCC1 ZINC001159492437 1073218938 /nfs/dbraw/zinc/21/89/38/1073218938.db2.gz JLICBRYWRJFISV-WBVHZDCISA-N 1 1 436.472 -0.163 20 0 IBADMO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@H]3CN(C)CC4(CC[NH2+]CC4)O3)C2)C1=O ZINC001159493253 1073219454 /nfs/dbraw/zinc/21/94/54/1073219454.db2.gz RMZUFSZHFCOGJH-DYESRHJHSA-N 1 1 435.569 -0.632 20 0 IBADMO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]3CN(C)CC4(CC[NH2+]CC4)O3)C2)C1=O ZINC001159493258 1073219382 /nfs/dbraw/zinc/21/93/82/1073219382.db2.gz RMZUFSZHFCOGJH-LAUBAEHRSA-N 1 1 435.569 -0.632 20 0 IBADMO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@H]3CN(C)CC4(CC[NH2+]CC4)O3)C2)C1=O ZINC001159493260 1073219324 /nfs/dbraw/zinc/21/93/24/1073219324.db2.gz RMZUFSZHFCOGJH-UTKZUKDTSA-N 1 1 435.569 -0.632 20 0 IBADMO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]3CN(C)CC4(CC[NH2+]CC4)O3)C2)C1=O ZINC001159493262 1073219540 /nfs/dbraw/zinc/21/95/40/1073219540.db2.gz RMZUFSZHFCOGJH-UWJYYQICSA-N 1 1 435.569 -0.632 20 0 IBADMO O=C([C@@H]1Cn2ccnc2C12CC[NH2+]CC2)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159493421 1073219522 /nfs/dbraw/zinc/21/95/22/1073219522.db2.gz OJWBVDRHBUUEGX-HNNXBMFYSA-N 1 1 425.493 -0.128 20 0 IBADMO O=C([C@H]1Cn2ccnc2C12CC[NH2+]CC2)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159493422 1073219597 /nfs/dbraw/zinc/21/95/97/1073219597.db2.gz OJWBVDRHBUUEGX-OAHLLOKOSA-N 1 1 425.493 -0.128 20 0 IBADMO O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159493698 1073219584 /nfs/dbraw/zinc/21/95/84/1073219584.db2.gz PFJWFBSBCUFUFZ-AWEZNQCLSA-N 1 1 426.481 -0.733 20 0 IBADMO O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159493699 1073219605 /nfs/dbraw/zinc/21/96/05/1073219605.db2.gz PFJWFBSBCUFUFZ-CQSZACIVSA-N 1 1 426.481 -0.733 20 0 IBADMO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159493741 1073219568 /nfs/dbraw/zinc/21/95/68/1073219568.db2.gz PKVUSOURYAJUGN-INIZCTEOSA-N 1 1 426.477 -0.590 20 0 IBADMO CN1C[C@@H](C(=O)N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159493820 1073219493 /nfs/dbraw/zinc/21/94/93/1073219493.db2.gz RISXHYBYRDFTFG-HKUYNNGSSA-N 1 1 430.553 -0.083 20 0 IBADMO C[N@H+]1C[C@@H](C(=O)N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159493820 1073219490 /nfs/dbraw/zinc/21/94/90/1073219490.db2.gz RISXHYBYRDFTFG-HKUYNNGSSA-N 1 1 430.553 -0.083 20 0 IBADMO CN1C[C@H](C(=O)N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159493821 1073219352 /nfs/dbraw/zinc/21/93/52/1073219352.db2.gz RISXHYBYRDFTFG-IEBWSBKVSA-N 1 1 430.553 -0.083 20 0 IBADMO C[N@H+]1C[C@H](C(=O)N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159493821 1073219346 /nfs/dbraw/zinc/21/93/46/1073219346.db2.gz RISXHYBYRDFTFG-IEBWSBKVSA-N 1 1 430.553 -0.083 20 0 IBADMO CN1C[C@@H](C(=O)N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159493822 1073219477 /nfs/dbraw/zinc/21/94/77/1073219477.db2.gz RISXHYBYRDFTFG-MJGOQNOKSA-N 1 1 430.553 -0.083 20 0 IBADMO C[N@H+]1C[C@@H](C(=O)N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159493822 1073219468 /nfs/dbraw/zinc/21/94/68/1073219468.db2.gz RISXHYBYRDFTFG-MJGOQNOKSA-N 1 1 430.553 -0.083 20 0 IBADMO CN1C[C@H](C(=O)N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159493823 1073219430 /nfs/dbraw/zinc/21/94/30/1073219430.db2.gz RISXHYBYRDFTFG-PKOBYXMFSA-N 1 1 430.553 -0.083 20 0 IBADMO C[N@H+]1C[C@H](C(=O)N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159493823 1073219421 /nfs/dbraw/zinc/21/94/21/1073219421.db2.gz RISXHYBYRDFTFG-PKOBYXMFSA-N 1 1 430.553 -0.083 20 0 IBADMO [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159493848 1073219549 /nfs/dbraw/zinc/21/95/49/1073219549.db2.gz RXKXSARGWUZADD-RDJZCZTQSA-N 1 1 447.540 -0.828 20 0 IBADMO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159494194 1073220011 /nfs/dbraw/zinc/22/00/11/1073220011.db2.gz ZFPQGQSOOQXFSB-AWEZNQCLSA-N 1 1 442.480 -0.948 20 0 IBADMO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]Cc3ccnn31)C2 ZINC001159527344 1073220618 /nfs/dbraw/zinc/22/06/18/1073220618.db2.gz CCLBBNGSCRDICE-APWZRJJASA-N 1 1 429.525 -0.264 20 0 IBADMO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]Cc3ccnn31)C2 ZINC001159527345 1073220386 /nfs/dbraw/zinc/22/03/86/1073220386.db2.gz CCLBBNGSCRDICE-LPHOPBHVSA-N 1 1 429.525 -0.264 20 0 IBADMO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@H]1C[NH2+]Cc3ccnn31)C2 ZINC001159527348 1073220548 /nfs/dbraw/zinc/22/05/48/1073220548.db2.gz CCLBBNGSCRDICE-QFBILLFUSA-N 1 1 429.525 -0.264 20 0 IBADMO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@H]1C[NH2+]Cc3ccnn31)C2 ZINC001159527350 1073220592 /nfs/dbraw/zinc/22/05/92/1073220592.db2.gz CCLBBNGSCRDICE-VQIMIIECSA-N 1 1 429.525 -0.264 20 0 IBADMO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)c1nnn3c1C[NH2+]CC3)C2 ZINC001159530122 1073221394 /nfs/dbraw/zinc/22/13/94/1073221394.db2.gz QVPBXBKOXKPYAE-HNNXBMFYSA-N 1 1 430.513 -0.797 20 0 IBADMO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)c1nnn3c1C[NH2+]CC3)C2 ZINC001159530123 1073221563 /nfs/dbraw/zinc/22/15/63/1073221563.db2.gz QVPBXBKOXKPYAE-OAHLLOKOSA-N 1 1 430.513 -0.797 20 0 IBADMO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)c1cnn3c1C[NH2+]CC3)C2 ZINC001159530736 1073222055 /nfs/dbraw/zinc/22/20/55/1073222055.db2.gz XPTAPCDCZGKCHO-INIZCTEOSA-N 1 1 429.525 -0.192 20 0 IBADMO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)c1cnn3c1C[NH2+]CC3)C2 ZINC001159530737 1073221855 /nfs/dbraw/zinc/22/18/55/1073221855.db2.gz XPTAPCDCZGKCHO-MRXNPFEDSA-N 1 1 429.525 -0.192 20 0 IBADMO [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534213 1073222388 /nfs/dbraw/zinc/22/23/88/1073222388.db2.gz NDBISUIFVAAGTA-BNDYYXHWSA-N 1 1 445.545 -0.094 20 0 IBADMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534214 1073222516 /nfs/dbraw/zinc/22/25/16/1073222516.db2.gz NDBISUIFVAAGTA-JKBKZWBZSA-N 1 1 445.545 -0.094 20 0 IBADMO C[C@]1(C(=O)N2C[C@H]3C[C@H]4[C@@](CN(CCc5ccccc5)S4(=O)=O)(C2)O3)COCC[NH2+]1 ZINC001159540873 1073222850 /nfs/dbraw/zinc/22/28/50/1073222850.db2.gz HSKUQWDPYVNUDT-JYRKZWEQSA-N 1 1 435.546 -0.009 20 0 IBADMO C[C@@]1(C(=O)N2C[C@H]3C[C@H]4[C@@](CN(CCc5ccccc5)S4(=O)=O)(C2)O3)COCC[NH2+]1 ZINC001159540874 1073222813 /nfs/dbraw/zinc/22/28/13/1073222813.db2.gz HSKUQWDPYVNUDT-ZFMNYDKASA-N 1 1 435.546 -0.009 20 0 IBADMO O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N(c1nc(N2CCCC2)nc2c1CNCC2)C1CC1 ZINC001159573672 1073223781 /nfs/dbraw/zinc/22/37/81/1073223781.db2.gz CVXOWNWMDUZIES-INIZCTEOSA-N 1 1 446.577 -0.005 20 0 IBADMO O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N(c1nc(N2CCCC2)nc2c1CNCC2)C1CC1 ZINC001159573673 1073223886 /nfs/dbraw/zinc/22/38/86/1073223886.db2.gz CVXOWNWMDUZIES-MRXNPFEDSA-N 1 1 446.577 -0.005 20 0 IBADMO CS(=O)(=O)N(CC[NH3+])CC(=O)N(c1nc(N2CCCC2)nc2c1CNCC2)C1CC1 ZINC001159574610 1073223897 /nfs/dbraw/zinc/22/38/97/1073223897.db2.gz SCBRYZKETRQUGX-UHFFFAOYSA-N 1 1 437.570 -0.562 20 0 IBADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159575269 1073223763 /nfs/dbraw/zinc/22/37/63/1073223763.db2.gz ZSVBEJHHICVUMQ-HOCLYGCPSA-N 1 1 427.509 -0.810 20 0 IBADMO O=C([C@@H]1C[NH2+]Cc2ccnn21)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595297 1073224644 /nfs/dbraw/zinc/22/46/44/1073224644.db2.gz SBXJAZCLTFRTCX-LXZJYRNTSA-N 1 1 444.517 -0.494 20 0 IBADMO O=C([C@H]1C[NH2+]Cc2ccnn21)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595298 1073224633 /nfs/dbraw/zinc/22/46/33/1073224633.db2.gz SBXJAZCLTFRTCX-XSYGEPLQSA-N 1 1 444.517 -0.494 20 0 IBADMO O=C(c1cnn2c1C[NH2+]CC2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159600100 1073225122 /nfs/dbraw/zinc/22/51/22/1073225122.db2.gz QLDNSMKCZDVFKX-BPAFIMBUSA-N 1 1 444.517 -0.421 20 0 IBADMO Cn1nc2c(c1C(=O)N1C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C1)O3)C[NH2+]C2 ZINC001159600152 1073225097 /nfs/dbraw/zinc/22/50/97/1073225097.db2.gz RVSGOMIEEHJXIE-LIVBEALHSA-N 1 1 444.517 -0.384 20 0 IBADMO CC1(C)C[NH2+][C@H](C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)CO1 ZINC001159600218 1073225061 /nfs/dbraw/zinc/22/50/61/1073225061.db2.gz SVBBWKTXKUXKES-YLAKUSLOSA-N 1 1 436.534 -0.268 20 0 IBADMO O=C(c1cc2n(n1)CC[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159601127 1073225449 /nfs/dbraw/zinc/22/54/49/1073225449.db2.gz ZTFMWFMBVANFQD-KPFFTGBYSA-N 1 1 444.517 -0.421 20 0 IBADMO C[C@H]1CCCN1C(=O)c1[nH]nc2c1CN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)CC2 ZINC001159609058 1073225963 /nfs/dbraw/zinc/22/59/63/1073225963.db2.gz KZQWJMIGLQNFML-DZGCQCFKSA-N 1 1 439.524 -0.143 20 0 IBADMO C[C@@H]1CCCN1C(=O)c1[nH]nc2c1CN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)CC2 ZINC001159609061 1073225935 /nfs/dbraw/zinc/22/59/35/1073225935.db2.gz KZQWJMIGLQNFML-HIFRSBDPSA-N 1 1 439.524 -0.143 20 0 IBADMO C[C@@H]1CCCN1C(=O)c1[nH]nc2c1CN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)CC2 ZINC001159609064 1073226004 /nfs/dbraw/zinc/22/60/04/1073226004.db2.gz KZQWJMIGLQNFML-UKRRQHHQSA-N 1 1 439.524 -0.143 20 0 IBADMO C[C@H]1CCCN1C(=O)c1[nH]nc2c1CN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)CC2 ZINC001159609067 1073225995 /nfs/dbraw/zinc/22/59/95/1073225995.db2.gz KZQWJMIGLQNFML-ZFWWWQNUSA-N 1 1 439.524 -0.143 20 0 IBADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1 ZINC001159622425 1073226872 /nfs/dbraw/zinc/22/68/72/1073226872.db2.gz JHGYCGRDJWILJE-KKLQWCBXSA-N 1 1 429.565 -0.429 20 0 IBADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1 ZINC001159622431 1073226890 /nfs/dbraw/zinc/22/68/90/1073226890.db2.gz JHGYCGRDJWILJE-QMHWCDLVSA-N 1 1 429.565 -0.429 20 0 IBADMO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)c1nnn3c1C[NH2+]CC3)CC2 ZINC001159623004 1073227244 /nfs/dbraw/zinc/22/72/44/1073227244.db2.gz AHKSRTYWESPACK-AWEZNQCLSA-N 1 1 438.554 -0.183 20 0 IBADMO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)c1nnn3c1C[NH2+]CC3)CC2 ZINC001159623005 1073227296 /nfs/dbraw/zinc/22/72/96/1073227296.db2.gz AHKSRTYWESPACK-CQSZACIVSA-N 1 1 438.554 -0.183 20 0 IBADMO CN1C[C@H](C(=O)N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159635613 1073228033 /nfs/dbraw/zinc/22/80/33/1073228033.db2.gz PFYXLHDHGOMUJV-GOSISDBHSA-N 1 1 441.536 -0.327 20 0 IBADMO CN1C[C@@H](C(=O)N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159635618 1073228149 /nfs/dbraw/zinc/22/81/49/1073228149.db2.gz PFYXLHDHGOMUJV-SFHVURJKSA-N 1 1 441.536 -0.327 20 0 IBADMO CN1C[C@H](C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)OC2(CC[NH2+]CC2)C1 ZINC001159653961 1073229957 /nfs/dbraw/zinc/22/99/57/1073229957.db2.gz HTLBZUDTHRZUFQ-GOSISDBHSA-N 1 1 444.536 -0.346 20 0 IBADMO CN1C[C@@H](C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)OC2(CC[NH2+]CC2)C1 ZINC001159653963 1073229915 /nfs/dbraw/zinc/22/99/15/1073229915.db2.gz HTLBZUDTHRZUFQ-SFHVURJKSA-N 1 1 444.536 -0.346 20 0 IBADMO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)CC2 ZINC001159664083 1073230442 /nfs/dbraw/zinc/23/04/42/1073230442.db2.gz WHBCZCNKFKDMER-KRWDZBQOSA-N 1 1 428.541 -0.756 20 0 IBADMO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)CC2 ZINC001159664084 1073230378 /nfs/dbraw/zinc/23/03/78/1073230378.db2.gz WHBCZCNKFKDMER-QGZVFWFLSA-N 1 1 428.541 -0.756 20 0 IBADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1 ZINC001159723339 1073232565 /nfs/dbraw/zinc/23/25/65/1073232565.db2.gz LNXNDXTXMKCDND-DLBZAZTESA-N 1 1 426.525 -0.052 20 0 IBADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1 ZINC001159723341 1073232497 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1 430.421 -0.641 20 0 IBADMO CCOC(=O)c1cc(Cl)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1C ZINC001160087846 1073244838 /nfs/dbraw/zinc/24/48/38/1073244838.db2.gz DXEAXHXZSSKSOR-DSPGLSBSSA-N 1 1 439.856 -0.067 20 0 IBADMO [NH3+][C@H]1[C@H](n2ccc(NC(F)(F)COc3ccnc(Cl)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087855 1073244672 /nfs/dbraw/zinc/24/46/72/1073244672.db2.gz FCPXIYXVRHBBAH-ICGCDAGXSA-N 1 1 433.799 -0.047 20 0 IBADMO [NH3+][C@H]1[C@H](n2ccc(NC(F)(F)COc3cccc(Cl)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087873 1073244812 /nfs/dbraw/zinc/24/48/12/1073244812.db2.gz FTICGRLAMLSPAB-HKSFMPNISA-N 1 1 433.799 -0.047 20 0 IBADMO COc1cc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nc2cc1OC ZINC001160087898 1073244634 /nfs/dbraw/zinc/24/46/34/1073244634.db2.gz HBSVAYWDBROZJN-UTRMSSBJSA-N 1 1 429.433 -0.036 20 0 IBADMO CCOC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1OCC ZINC001160087932 1073245244 /nfs/dbraw/zinc/24/52/44/1073245244.db2.gz IIYICKYRLKZMCZ-BASLNEPJSA-N 1 1 435.437 -0.631 20 0 IBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nccc(OCc4ccccc4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087936 1073245296 /nfs/dbraw/zinc/24/52/96/1073245296.db2.gz IPSDMDXAOSHUEV-BNEJOLLZSA-N 1 1 426.433 -0.232 20 0 IBADMO Cc1nc2c(nc(Cl)nc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)s1 ZINC001160087937 1073245345 /nfs/dbraw/zinc/24/53/45/1073245345.db2.gz IQHODFYKUAMOMY-CLOKMRPHSA-N 1 1 425.858 -0.239 20 0 IBADMO COC(=O)c1cc2ccncc2nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160088001 1073245168 /nfs/dbraw/zinc/24/51/68/1073245168.db2.gz LQSCASVWDTXMBV-DNNBLBMLSA-N 1 1 428.405 -0.871 20 0 IBADMO CCOC(=O)c1cc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nc2[nH]1 ZINC001160088003 1073245352 /nfs/dbraw/zinc/24/53/52/1073245352.db2.gz LYZZBMCATXIPTM-BNGXUDDSSA-N 1 1 430.421 -0.382 20 0 IBADMO COC(=O)c1cc2ccccc2nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160088035 1073245177 /nfs/dbraw/zinc/24/51/77/1073245177.db2.gz NUTOCXWPUXVRPD-GFOCRRMGSA-N 1 1 427.417 -0.266 20 0 IBADMO CCOC(=O)c1ccc2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2c1 ZINC001160088040 1073245325 /nfs/dbraw/zinc/24/53/25/1073245325.db2.gz OBKNXSCXFUJVDA-GFOCRRMGSA-N 1 1 442.432 -0.481 20 0 IBADMO COc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc(-c2ccccc2)n1 ZINC001160088056 1073245335 /nfs/dbraw/zinc/24/53/35/1073245335.db2.gz OWGJFLVOJHTJJY-XKVFNRALSA-N 1 1 427.421 -0.740 20 0 IBADMO COC(=O)c1cc2c(OC)[nH]c(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc-2n1 ZINC001160088058 1073245276 /nfs/dbraw/zinc/24/52/76/1073245276.db2.gz OWLAWZAPFDQBBH-BNGXUDDSSA-N 1 1 446.420 -0.930 20 0 IBADMO CCOC(=O)c1cc2cccnc2nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160088165 1073245235 /nfs/dbraw/zinc/24/52/35/1073245235.db2.gz PGVXNMBQQRGWNI-SCFUHWHPSA-N 1 1 442.432 -0.481 20 0 IBADMO CCOC(=O)c1cnc(Cl)c(C)c1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160088178 1073245160 /nfs/dbraw/zinc/24/51/60/1073245160.db2.gz QDWJRHJDABHCCT-MWKWWEEBSA-N 1 1 439.856 -0.067 20 0 IBADMO CCOC(=O)c1cc2ccnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2[nH]1 ZINC001160088179 1073245149 /nfs/dbraw/zinc/24/51/49/1073245149.db2.gz QEBYDPVSYCPBJD-WBMRYOJMSA-N 1 1 430.421 -0.548 20 0 IBADMO CCOC(=O)c1cnc(C2CC2)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160088224 1073245223 /nfs/dbraw/zinc/24/52/23/1073245223.db2.gz SEAISUZEFABWKL-LSCFUAHRSA-N 1 1 432.437 -0.757 20 0 IBADMO COc1cccc(Oc2cncc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)n2)c1 ZINC001160088369 1073245305 /nfs/dbraw/zinc/24/53/05/1073245305.db2.gz VESZMMFSRQNMHN-BYNBJNPRSA-N 1 1 442.432 -0.010 20 0 IBADMO COC(=O)c1ccc2ccnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2c1 ZINC001160088371 1073245208 /nfs/dbraw/zinc/24/52/08/1073245208.db2.gz VFUYLALUPSGDNK-GFOCRRMGSA-N 1 1 427.417 -0.266 20 0 IBADMO CN(C)c1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc(-c2ccccc2)n1 ZINC001160088380 1073245193 /nfs/dbraw/zinc/24/51/93/1073245193.db2.gz VMMBUOAMGJEWMO-DNNBLBMLSA-N 1 1 440.464 -0.683 20 0 IBADMO CCOC(=O)c1cc2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2s1 ZINC001160088387 1073245854 /nfs/dbraw/zinc/24/58/54/1073245854.db2.gz VYORGSCTQFNSHU-RVXWVPLUSA-N 1 1 448.461 -0.420 20 0 IBADMO COc1cccc(-c2ccnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)n2)c1 ZINC001160088408 1073245758 /nfs/dbraw/zinc/24/57/58/1073245758.db2.gz WVHIKMFTJOAEAZ-VDHUWJSZSA-N 1 1 426.433 -0.135 20 0 IBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc(-c4ccccc4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088417 1073245568 /nfs/dbraw/zinc/24/55/68/1073245568.db2.gz XFRMCWARCXPTGE-BPGGGUHBSA-N 1 1 431.840 -0.096 20 0 IBADMO CCOC(=O)c1nnc(Cl)cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160088418 1073245745 /nfs/dbraw/zinc/24/57/45/1073245745.db2.gz XFVFSRFJQZANKR-KLPZLMTLSA-N 1 1 426.817 -0.981 20 0 IBADMO CON(C)C(=O)c1cc(Cl)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001160088432 1073245838 /nfs/dbraw/zinc/24/58/38/1073245838.db2.gz YCAAOQALZIZMPU-APGPQJPKSA-N 1 1 440.844 -0.919 20 0 IBADMO COc1cc2ccnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2cc1OC ZINC001160088445 1073245658 /nfs/dbraw/zinc/24/56/58/1073245658.db2.gz YQMTWFBSCZNPHV-KLICCBINSA-N 1 1 429.433 -0.036 20 0 IBADMO COc1ccccc1-c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160092285 1073245695 /nfs/dbraw/zinc/24/56/95/1073245695.db2.gz ADLBVXURCTVKFS-VDHUWJSZSA-N 1 1 426.433 -0.135 20 0 IBADMO NC(=O)c1cc(Cl)ncc1C(F)(F)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160092306 1073245642 /nfs/dbraw/zinc/24/56/42/1073245642.db2.gz BDZUEVBBXGHISF-LHNIVKCTSA-N 1 1 446.798 -0.870 20 0 IBADMO COC(=O)C[C@H](c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1)C1CC1 ZINC001160092323 1073245727 /nfs/dbraw/zinc/24/57/27/1073245727.db2.gz BWDJUQRAPRHVHJ-WHHUABKHSA-N 1 1 445.476 -0.149 20 0 IBADMO Cc1cc(NC(=O)c2cccnc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)no1 ZINC001160092342 1073245679 /nfs/dbraw/zinc/24/56/79/1073245679.db2.gz CWXWAJQCQJKRAC-XKLVTHTNSA-N 1 1 443.420 -0.657 20 0 IBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(-c4ccncc4)nc4c3CCC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092351 1073245589 /nfs/dbraw/zinc/24/55/89/1073245589.db2.gz DIOWRODDIIHVNH-WVSUBDOOSA-N 1 1 437.460 -0.260 20 0 IBADMO COC(=O)c1c(Cl)cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1OC ZINC001160092365 1073245817 /nfs/dbraw/zinc/24/58/17/1073245817.db2.gz FBESHVCFVQLFOV-PMXXHBEXSA-N 1 1 441.828 -0.757 20 0 IBADMO COc1ccccc1-c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nn1 ZINC001160092374 1073245806 /nfs/dbraw/zinc/24/58/06/1073245806.db2.gz FLVPFDFFACOBCD-UTRMSSBJSA-N 1 1 426.433 -0.135 20 0 IBADMO C[C@@H]1CCCN(C(=O)c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nc2)C1 ZINC001160092381 1073245604 /nfs/dbraw/zinc/24/56/04/1073245604.db2.gz FYNLSCDRNDMFOJ-LQUAMNAYSA-N 1 1 444.492 -0.334 20 0 IBADMO C[C@H]1CCCN(C(=O)c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nc2)C1 ZINC001160092482 1073245771 /nfs/dbraw/zinc/24/57/71/1073245771.db2.gz FYNLSCDRNDMFOJ-MGMQSQGASA-N 1 1 444.492 -0.334 20 0 IBADMO COc1ccc(-c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nn2)cc1 ZINC001160092507 1073246166 /nfs/dbraw/zinc/24/61/66/1073246166.db2.gz HFSLHUVWYCHCIW-UTRMSSBJSA-N 1 1 426.433 -0.135 20 0 IBADMO CC(C)n1cnc2c1nc(Cl)nc2Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160092525 1073246112 /nfs/dbraw/zinc/24/61/12/1073246112.db2.gz HXMJNNVYNGFHDT-SJAJALHSSA-N 1 1 436.860 -0.227 20 0 IBADMO COc1ccccc1-c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncn1 ZINC001160092537 1073246148 /nfs/dbraw/zinc/24/61/48/1073246148.db2.gz IITQVOFOPVBAJJ-UTRMSSBJSA-N 1 1 426.433 -0.135 20 0 IBADMO COc1ccc(-c2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ncn2)cc1 ZINC001160092551 1073246196 /nfs/dbraw/zinc/24/61/96/1073246196.db2.gz IYCKZSABBWKXKW-UTRMSSBJSA-N 1 1 426.433 -0.135 20 0 IBADMO CC1CCN(C(=O)c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nc2)CC1 ZINC001160092559 1073246184 /nfs/dbraw/zinc/24/61/84/1073246184.db2.gz JLFDCCDIERPPJK-VXXKDZQQSA-N 1 1 444.492 -0.334 20 0 IBADMO COC(=O)c1cc2ccccc2c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160092815 1073246262 /nfs/dbraw/zinc/24/62/62/1073246262.db2.gz MACNAHOSXXBUND-GFOCRRMGSA-N 1 1 427.417 -0.266 20 0 IBADMO COC(=O)c1cc(Cl)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1C ZINC001160092816 1073246279 /nfs/dbraw/zinc/24/62/79/1073246279.db2.gz MAJLTMXPNKVOFJ-BPGGGUHBSA-N 1 1 425.829 -0.458 20 0 IBADMO Cc1nc(C)c(-c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nn2)s1 ZINC001160092821 1073246340 /nfs/dbraw/zinc/24/63/40/1073246340.db2.gz MHUOKASJKJTAAH-BNGXUDDSSA-N 1 1 431.478 -0.071 20 0 IBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(-c4nc(C5CC5)no4)ccn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092823 1073246126 /nfs/dbraw/zinc/24/61/26/1073246126.db2.gz MNTZEGWDYLORJF-XKLVTHTNSA-N 1 1 427.421 -0.279 20 0 IBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c(Cl)ncnc34)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092849 1073246139 /nfs/dbraw/zinc/24/61/39/1073246139.db2.gz NNQNWANPAUGBON-HBWWRNIDSA-N 1 1 441.235 -0.561 20 0 IBADMO CC1CCN(C(=O)c2cccnc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001160092852 1073246176 /nfs/dbraw/zinc/24/61/76/1073246176.db2.gz NQBKJULUOPJDDX-WVSUBDOOSA-N 1 1 444.492 -0.334 20 0 IBADMO [NH3+][C@H]1[C@H](n2ccc(NC(F)(F)c3cc(Cl)nc(=S)[nH]3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092862 1073246248 /nfs/dbraw/zinc/24/62/48/1073246248.db2.gz NZCHNQXQWSBRAO-VVFBATEQSA-N 1 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20 0 IBADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160300258 1073252875 /nfs/dbraw/zinc/25/28/75/1073252875.db2.gz NGEQCCBBZRELFG-XMSQKQJNSA-N 1 1 443.552 -0.414 20 0 IBADMO CN1C[C@@H](C(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)OC2(CC[NH2+]CC2)C1 ZINC001160342843 1073254198 /nfs/dbraw/zinc/25/41/98/1073254198.db2.gz DKDWDVQSVZPQQG-AVRDEDQJSA-N 1 1 446.552 -0.636 20 0 IBADMO CN1C[C@H](C(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)OC2(CC[NH2+]CC2)C1 ZINC001160342844 1073254140 /nfs/dbraw/zinc/25/41/40/1073254140.db2.gz DKDWDVQSVZPQQG-GCJKJVERSA-N 1 1 446.552 -0.636 20 0 IBADMO CN1C[C@@H](C(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)OC2(CC[NH2+]CC2)C1 ZINC001160342845 1073254277 /nfs/dbraw/zinc/25/42/77/1073254277.db2.gz DKDWDVQSVZPQQG-PGRDOPGGSA-N 1 1 446.552 -0.636 20 0 IBADMO CN1C[C@H](C(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)OC2(CC[NH2+]CC2)C1 ZINC001160342846 1073254295 /nfs/dbraw/zinc/25/42/95/1073254295.db2.gz DKDWDVQSVZPQQG-XMSQKQJNSA-N 1 1 446.552 -0.636 20 0 IBADMO 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CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H]1CN(C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160418708 1073260926 /nfs/dbraw/zinc/26/09/26/1073260926.db2.gz MLDWTRHWZJWNOR-AVRDEDQJSA-N 1 1 438.569 -0.448 20 0 IBADMO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H]1CN(C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160418709 1073260983 /nfs/dbraw/zinc/26/09/83/1073260983.db2.gz MLDWTRHWZJWNOR-GCJKJVERSA-N 1 1 438.569 -0.448 20 0 IBADMO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H]1CN(C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160418710 1073260850 /nfs/dbraw/zinc/26/08/50/1073260850.db2.gz MLDWTRHWZJWNOR-PGRDOPGGSA-N 1 1 438.569 -0.448 20 0 IBADMO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H]1CN(C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160418711 1073260872 /nfs/dbraw/zinc/26/08/72/1073260872.db2.gz MLDWTRHWZJWNOR-XMSQKQJNSA-N 1 1 438.569 -0.448 20 0 IBADMO COc1cc(OC)nc(CN2CCN(C(=O)[C@@H]3CN(C)CC4(CC[NH2+]CC4)O3)CC2)n1 ZINC001160428706 1073261707 /nfs/dbraw/zinc/26/17/07/1073261707.db2.gz LEMGPGTXWQYPQH-INIZCTEOSA-N 1 1 434.541 -0.409 20 0 IBADMO COc1cc(OC)nc(CN2CCN(C(=O)[C@H]3CN(C)CC4(CC[NH2+]CC4)O3)CC2)n1 ZINC001160428707 1073261544 /nfs/dbraw/zinc/26/15/44/1073261544.db2.gz LEMGPGTXWQYPQH-MRXNPFEDSA-N 1 1 434.541 -0.409 20 0 IBADMO CN1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160470246 1073262962 /nfs/dbraw/zinc/26/29/62/1073262962.db2.gz JFPBMUJYRFAEKO-PMACEKPBSA-N 1 1 444.532 -0.050 20 0 IBADMO CN1C[C@H](C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160470248 1073262893 /nfs/dbraw/zinc/26/28/93/1073262893.db2.gz JFPBMUJYRFAEKO-UXHICEINSA-N 1 1 444.532 -0.050 20 0 IBADMO CN1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160470251 1073262940 /nfs/dbraw/zinc/26/29/40/1073262940.db2.gz JFPBMUJYRFAEKO-VQTJNVASSA-N 1 1 444.532 -0.050 20 0 IBADMO CN1C[C@H](C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)OC2(CC[NH2+]CC2)C1 ZINC001160470253 1073262853 /nfs/dbraw/zinc/26/28/53/1073262853.db2.gz JFPBMUJYRFAEKO-WOJBJXKFSA-N 1 1 444.532 -0.050 20 0 IBADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589120 1073264678 /nfs/dbraw/zinc/26/46/78/1073264678.db2.gz MOJFQWATMUVIGX-YOEHRIQHSA-N 1 1 442.520 -0.703 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1=O ZINC001160604446 1073265206 /nfs/dbraw/zinc/26/52/06/1073265206.db2.gz IIFLPOXJJGFOND-DOTOQJQBSA-N 1 1 448.524 -0.528 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1=O ZINC001160604448 1073265344 /nfs/dbraw/zinc/26/53/44/1073265344.db2.gz IIFLPOXJJGFOND-NVXWUHKLSA-N 1 1 448.524 -0.528 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1=O ZINC001160604449 1073265370 /nfs/dbraw/zinc/26/53/70/1073265370.db2.gz IIFLPOXJJGFOND-RDJZCZTQSA-N 1 1 448.524 -0.528 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1=O ZINC001160604450 1073265156 /nfs/dbraw/zinc/26/51/56/1073265156.db2.gz IIFLPOXJJGFOND-WBVHZDCISA-N 1 1 448.524 -0.528 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1=O ZINC001160604543 1073265409 /nfs/dbraw/zinc/26/54/09/1073265409.db2.gz KLQGGMBFMWAHAM-INMHGKMJSA-N 1 1 428.530 -0.036 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1=O ZINC001160604544 1073265393 /nfs/dbraw/zinc/26/53/93/1073265393.db2.gz KLQGGMBFMWAHAM-UXLLHSPISA-N 1 1 428.530 -0.036 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2[nH]ncc2I)CC1=O ZINC001160605343 1073265250 /nfs/dbraw/zinc/26/52/50/1073265250.db2.gz TYOVGAYEIUKQJE-JTQLQIEISA-N 1 1 435.266 -0.077 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2[nH]ncc2I)CC1=O ZINC001160605345 1073265273 /nfs/dbraw/zinc/26/52/73/1073265273.db2.gz TYOVGAYEIUKQJE-SNVBAGLBSA-N 1 1 435.266 -0.077 20 0 IBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1=O ZINC001160605365 1073265660 /nfs/dbraw/zinc/26/56/60/1073265660.db2.gz UBAXHGANRMTKAH-HTAPYJJXSA-N 1 1 432.521 -0.311 20 0 IBADMO 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1073744660 /nfs/dbraw/zinc/74/46/60/1073744660.db2.gz IKUXFYQDLQAHGV-IRXDYDNUSA-N 1 1 446.570 -0.104 20 0 IBADMO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC001170073602 1073744655 /nfs/dbraw/zinc/74/46/55/1073744655.db2.gz IKUXFYQDLQAHGV-IRXDYDNUSA-N 1 1 446.570 -0.104 20 0 IBADMO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC001170073603 1073744490 /nfs/dbraw/zinc/74/44/90/1073744490.db2.gz IKUXFYQDLQAHGV-SJORKVTESA-N 1 1 446.570 -0.104 20 0 IBADMO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC001170073603 1073744484 /nfs/dbraw/zinc/74/44/84/1073744484.db2.gz IKUXFYQDLQAHGV-SJORKVTESA-N 1 1 446.570 -0.104 20 0 IBADMO O=C(C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001170469438 1073859222 /nfs/dbraw/zinc/85/92/22/1073859222.db2.gz PVLPXCOIZNJUNG-IYBDPMFKSA-N 1 1 434.518 -0.318 20 0 IBADMO O=C(C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001170469438 1073859216 /nfs/dbraw/zinc/85/92/16/1073859216.db2.gz PVLPXCOIZNJUNG-IYBDPMFKSA-N 1 1 434.518 -0.318 20 0 IBADMO COC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001170540576 1073937521 /nfs/dbraw/zinc/93/75/21/1073937521.db2.gz RXRRFGRNRWTTLS-BDXSIMOUSA-N 1 1 446.552 -0.238 20 0 IBADMO COC(=O)[C@@H]1CC[C@H](NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001170540578 1073937337 /nfs/dbraw/zinc/93/73/37/1073937337.db2.gz RXRRFGRNRWTTLS-OWSLCNJRSA-N 1 1 446.552 -0.238 20 0 IBADMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC001170623011 1073980150 /nfs/dbraw/zinc/98/01/50/1073980150.db2.gz IBDMHOLIDBWYKC-CABCVRRESA-N 1 1 425.555 -0.186 20 0 IBADMO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC001170623012 1073980093 /nfs/dbraw/zinc/98/00/93/1073980093.db2.gz IBDMHOLIDBWYKC-GJZGRUSLSA-N 1 1 425.555 -0.186 20 0 IBADMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 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ZINC001171008846 1074060821 /nfs/dbraw/zinc/06/08/21/1074060821.db2.gz UGIOVMQCGICSBI-LRDDRELGSA-N 1 1 435.905 -0.403 20 0 IBADMO O=C(C[N@@H+]1C[C@H](CO)[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001171008851 1074060945 /nfs/dbraw/zinc/06/09/45/1074060945.db2.gz UGIOVMQCGICSBI-MLGOLLRUSA-N 1 1 435.905 -0.403 20 0 IBADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001171008854 1074060959 /nfs/dbraw/zinc/06/09/59/1074060959.db2.gz UGIOVMQCGICSBI-WBMJQRKESA-N 1 1 435.905 -0.403 20 0 IBADMO O=C(C[N@H+]1C[C@@H](O)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001171009660 1074060908 /nfs/dbraw/zinc/06/09/08/1074060908.db2.gz WGKTUHJNDNSAIG-AZUAARDMSA-N 1 1 433.530 -0.042 20 0 IBADMO O=C(C[N@H+]1C[C@H](O)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001171009663 1074060796 /nfs/dbraw/zinc/06/07/96/1074060796.db2.gz WGKTUHJNDNSAIG-ICSRJNTNSA-N 1 1 433.530 -0.042 20 0 IBADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 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COC(=O)[C@@H]([NH3+])Cc1ccc(O)c(O[C@@H](C)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC001218296015 1073348974 /nfs/dbraw/zinc/34/89/74/1073348974.db2.gz QWOHTKZILADECI-AAEUAGOBSA-N 1 1 431.449 -0.350 20 0 IBADMO COC(=O)[C@@H]([NH3+])Cc1ccc(O)c(O[C@H](C)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC001218296019 1073349079 /nfs/dbraw/zinc/34/90/79/1073349079.db2.gz QWOHTKZILADECI-YPMHNXCESA-N 1 1 431.449 -0.350 20 0 IBADMO COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H]1C(=O)O[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@H]12 ZINC001218314522 1073348998 /nfs/dbraw/zinc/34/89/98/1073348998.db2.gz SCRRXNCKYABFNF-VTLCSEFTSA-N 1 1 425.394 -0.288 20 0 IBADMO CC1=C(C(=O)O[C@@H]2CNC(=O)C2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218336309 1073348922 /nfs/dbraw/zinc/34/89/22/1073348922.db2.gz BDHFYXYJMIFQQS-DKEWWPDHSA-N 1 1 446.485 -0.502 20 0 IBADMO CC1=C(C(=O)O[C@H]2CNC(=O)C2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218336321 1073348948 /nfs/dbraw/zinc/34/89/48/1073348948.db2.gz 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1073355049 /nfs/dbraw/zinc/35/50/49/1073355049.db2.gz LZEGLRWHMDNPEC-FZNYLWTLSA-N 1 1 446.867 -0.324 20 0 IBADMO NC(=O)c1cc(I)cnc1NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001218676254 1073355369 /nfs/dbraw/zinc/35/53/69/1073355369.db2.gz VAUWFYUZPOIOEN-LLVKDONJSA-N 1 1 432.266 -0.526 20 0 IBADMO NC(=O)c1cc(I)cnc1NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001218676273 1073355381 /nfs/dbraw/zinc/35/53/81/1073355381.db2.gz VAUWFYUZPOIOEN-NSHDSACASA-N 1 1 432.266 -0.526 20 0 IBADMO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC001218701618 1073355882 /nfs/dbraw/zinc/35/58/82/1073355882.db2.gz BGBAOXKZMXKQDK-INIZCTEOSA-N 1 1 440.508 -0.235 20 0 IBADMO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC001218701618 1073355874 /nfs/dbraw/zinc/35/58/74/1073355874.db2.gz BGBAOXKZMXKQDK-INIZCTEOSA-N 1 1 440.508 -0.235 20 0 IBADMO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC001218701620 1073355976 /nfs/dbraw/zinc/35/59/76/1073355976.db2.gz BGBAOXKZMXKQDK-MRXNPFEDSA-N 1 1 440.508 -0.235 20 0 IBADMO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC001218701620 1073355968 /nfs/dbraw/zinc/35/59/68/1073355968.db2.gz BGBAOXKZMXKQDK-MRXNPFEDSA-N 1 1 440.508 -0.235 20 0 IBADMO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]([NH3+])Cc1cn(C=O)c2ccccc12 ZINC001218702069 1073355953 /nfs/dbraw/zinc/35/59/53/1073355953.db2.gz JUQXXMPRZRRUJX-CQSZACIVSA-N 1 1 438.448 -0.536 20 0 IBADMO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001218702862 1073356379 /nfs/dbraw/zinc/35/63/79/1073356379.db2.gz YEQTZLKBODIKNW-ZDUSSCGKSA-N 1 1 429.437 -0.638 20 0 IBADMO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cc(N(C)C)[nH]n1)C(=O)CF ZINC001218742240 1073357020 /nfs/dbraw/zinc/35/70/20/1073357020.db2.gz BOGZFFQJSVKBDB-MMPTUQATSA-N 1 1 427.481 -0.684 20 0 IBADMO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001218770035 1073357107 /nfs/dbraw/zinc/35/71/07/1073357107.db2.gz AXZUAJILDFPFAV-INIZCTEOSA-N 1 1 431.541 -0.077 20 0 IBADMO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001218770036 1073357160 /nfs/dbraw/zinc/35/71/60/1073357160.db2.gz AXZUAJILDFPFAV-MRXNPFEDSA-N 1 1 431.541 -0.077 20 0 IBADMO [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218771482 1073357568 /nfs/dbraw/zinc/35/75/68/1073357568.db2.gz ZZOBZJZSKQSHNT-INIZCTEOSA-N 1 1 442.476 -0.080 20 0 IBADMO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218774952 1073358186 /nfs/dbraw/zinc/35/81/86/1073358186.db2.gz CYMOBMSFBOTMRT-AGIUHOORSA-N 1 1 442.948 -0.050 20 0 IBADMO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218774953 1073357975 /nfs/dbraw/zinc/35/79/75/1073357975.db2.gz CYMOBMSFBOTMRT-AVGNSLFASA-N 1 1 442.948 -0.050 20 0 IBADMO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218774954 1073357941 /nfs/dbraw/zinc/35/79/41/1073357941.db2.gz CYMOBMSFBOTMRT-FRRDWIJNSA-N 1 1 442.948 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1 447.927 -0.701 20 0 IBADMO CC(C)N1CCN(CC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218775626 1073358105 /nfs/dbraw/zinc/35/81/05/1073358105.db2.gz ITJJLSBLJYUENA-CABCVRRESA-N 1 1 425.965 -0.344 20 0 IBADMO CC(C)N1CCN(CC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218775631 1073358065 /nfs/dbraw/zinc/35/80/65/1073358065.db2.gz ITJJLSBLJYUENA-GJZGRUSLSA-N 1 1 425.965 -0.344 20 0 IBADMO CC(C)N1CCN(CC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218775633 1073357924 /nfs/dbraw/zinc/35/79/24/1073357924.db2.gz ITJJLSBLJYUENA-HUUCEWRRSA-N 1 1 425.965 -0.344 20 0 IBADMO CC(C)N1CCN(CC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218775635 1073358126 /nfs/dbraw/zinc/35/81/26/1073358126.db2.gz ITJJLSBLJYUENA-LSDHHAIUSA-N 1 1 425.965 -0.344 20 0 IBADMO CC(C)C[C@H](NC(=O)CN)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218777827 1073358860 /nfs/dbraw/zinc/35/88/60/1073358860.db2.gz GDMNKTFQIRTUMX-AGIUHOORSA-N 1 1 427.937 -0.880 20 0 IBADMO CC(C)C[C@H](NC(=O)CN)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218777830 1073358917 /nfs/dbraw/zinc/35/89/17/1073358917.db2.gz GDMNKTFQIRTUMX-AVGNSLFASA-N 1 1 427.937 -0.880 20 0 IBADMO CC(C)C[C@H](NC(=O)CN)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218777832 1073358828 /nfs/dbraw/zinc/35/88/28/1073358828.db2.gz GDMNKTFQIRTUMX-FRRDWIJNSA-N 1 1 427.937 -0.880 20 0 IBADMO CC(C)C[C@H](NC(=O)CN)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218777833 1073358820 /nfs/dbraw/zinc/35/88/20/1073358820.db2.gz GDMNKTFQIRTUMX-RWMBFGLXSA-N 1 1 427.937 -0.880 20 0 IBADMO CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218782537 1073360938 /nfs/dbraw/zinc/36/09/38/1073360938.db2.gz VFXJGOLSTSKDBM-BNOWGMLFSA-N 1 1 436.904 -0.900 20 0 IBADMO CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218782539 1073360788 /nfs/dbraw/zinc/36/07/88/1073360788.db2.gz VFXJGOLSTSKDBM-IACUBPJLSA-N 1 1 436.904 -0.900 20 0 IBADMO 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Nc1ncn(C(=O)c2cnc3cccnc3c2O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218784202 1073361929 /nfs/dbraw/zinc/36/19/29/1073361929.db2.gz PLXIOJIIOQMMSP-ZWNOBZJWSA-N 1 1 429.868 -0.085 20 0 IBADMO CSc1ncc(O)c(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)n1 ZINC001218787259 1073363351 /nfs/dbraw/zinc/36/33/51/1073363351.db2.gz KROZWNLISNGWTN-BDAKNGLRSA-N 1 1 425.902 -0.104 20 0 IBADMO CSc1ncc(O)c(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)n1 ZINC001218787262 1073363422 /nfs/dbraw/zinc/36/34/22/1073363422.db2.gz KROZWNLISNGWTN-DTWKUNHWSA-N 1 1 425.902 -0.104 20 0 IBADMO CSc1ncc(O)c(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)n1 ZINC001218787264 1073363439 /nfs/dbraw/zinc/36/34/39/1073363439.db2.gz KROZWNLISNGWTN-IUCAKERBSA-N 1 1 425.902 -0.104 20 0 IBADMO CSc1ncc(O)c(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)n1 ZINC001218787266 1073363468 /nfs/dbraw/zinc/36/34/68/1073363468.db2.gz KROZWNLISNGWTN-RKDXNWHRSA-N 1 1 425.902 -0.104 20 0 IBADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cc(F)ccc1N1CCN(C)CC1 ZINC001218859398 1073364681 /nfs/dbraw/zinc/36/46/81/1073364681.db2.gz CPDDUOPSRILDPW-KSSFIOAISA-N 1 1 434.516 -0.030 20 0 IBADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccc(N2CCN(CCO)CC2)cc1 ZINC001218873090 1073365065 /nfs/dbraw/zinc/36/50/65/1073365065.db2.gz DXJMXGDRNARSIN-LPHOPBHVSA-N 1 1 446.552 -0.806 20 0 IBADMO O=C(Nc1ccc(N2CCN(CCO)CC2)cc1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218874168 1073365176 /nfs/dbraw/zinc/36/51/76/1073365176.db2.gz UNLXKAQYBMKSLD-GOSISDBHSA-N 1 1 426.525 -0.323 20 0 IBADMO O=C(Nc1ccc(N2CCN(CCO)CC2)cc1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218874171 1073365239 /nfs/dbraw/zinc/36/52/39/1073365239.db2.gz UNLXKAQYBMKSLD-SFHVURJKSA-N 1 1 426.525 -0.323 20 0 IBADMO COc1nccn(C(=O)c2cc3n(n2)CC[NH2+]C3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874453 1073365294 /nfs/dbraw/zinc/36/52/94/1073365294.db2.gz CGISUIOZPMCSRF-UHFFFAOYSA-N 1 1 429.462 -0.248 20 0 IBADMO COc1nccn(C(=O)c2[nH]nc3c2C[NH2+]CC3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874506 1073365121 /nfs/dbraw/zinc/36/51/21/1073365121.db2.gz DMCNIZBICZKZFF-UHFFFAOYSA-N 1 1 429.462 -0.179 20 0 IBADMO COc1nccn(C(=O)c2ncn3c2C[NH2+]CC3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874708 1073365158 /nfs/dbraw/zinc/36/51/58/1073365158.db2.gz FNAYLOBTMMMZPT-UHFFFAOYSA-N 1 1 429.462 -0.248 20 0 IBADMO COc1nccn(C(=O)c2cnn3c2C[NH2+]CC3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875051 1073365196 /nfs/dbraw/zinc/36/51/96/1073365196.db2.gz KEQUCQMNVVPMSG-UHFFFAOYSA-N 1 1 429.462 -0.248 20 0 IBADMO COc1nccn(C(=O)[C@@H](N)CSCC[NH3+])c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875071 1073365309 /nfs/dbraw/zinc/36/53/09/1073365309.db2.gz KQXGCCKSRGYQEA-ZDUSSCGKSA-N 1 1 426.524 -0.577 20 0 IBADMO COc1nccn(C(=O)c2nnn3c2C[NH2+]CC3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875736 1073365589 /nfs/dbraw/zinc/36/55/89/1073365589.db2.gz YOHFOOGUURDXNK-UHFFFAOYSA-N 1 1 430.450 -0.853 20 0 IBADMO NC[C@@H]([NH3+])c1ccc(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)cc1 ZINC001218876641 1073365928 /nfs/dbraw/zinc/36/59/28/1073365928.db2.gz KOOXSEKRRWORJO-LLVKDONJSA-N 1 1 447.926 -0.154 20 0 IBADMO NC[C@H]([NH3+])c1ccc(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)cc1 ZINC001218876644 1073366526 /nfs/dbraw/zinc/36/65/26/1073366526.db2.gz KOOXSEKRRWORJO-NSHDSACASA-N 1 1 447.926 -0.154 20 0 IBADMO COc1nccn(C(=O)[C@@H]2C[NH2+]Cc3ccnn32)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218876663 1073366285 /nfs/dbraw/zinc/36/62/85/1073366285.db2.gz FNYFRUSRBBBWGT-HNNXBMFYSA-N 1 1 429.462 -0.055 20 0 IBADMO COc1nccn(C(=O)[C@H]2C[NH2+]Cc3ccnn32)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218876666 1073366248 /nfs/dbraw/zinc/36/62/48/1073366248.db2.gz FNYFRUSRBBBWGT-OAHLLOKOSA-N 1 1 429.462 -0.055 20 0 IBADMO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cc3n(n2)CC[NH2+]C3)cc1Cl ZINC001218876770 1073366463 /nfs/dbraw/zinc/36/64/63/1073366463.db2.gz MTAXUTJDFJQFPT-UHFFFAOYSA-N 1 1 434.887 -0.813 20 0 IBADMO 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[NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)Nc1ccccc1C(=O)N1CCNCC1 ZINC001218879614 1073367440 /nfs/dbraw/zinc/36/74/40/1073367440.db2.gz DOBODXYBZPIHHW-INIZCTEOSA-N 1 1 425.493 -0.002 20 0 IBADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccccc1C(=O)N1CCNCC1 ZINC001218881672 1073367919 /nfs/dbraw/zinc/36/79/19/1073367919.db2.gz AEOARWCYCUAPNF-YOEHRIQHSA-N 1 1 430.509 -0.875 20 0 IBADMO CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001218901979 1073368495 /nfs/dbraw/zinc/36/84/95/1073368495.db2.gz RXCOVNYTWNNGSJ-ZFWWWQNUSA-N 1 1 427.527 -0.314 20 0 IBADMO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001218988175 1073370523 /nfs/dbraw/zinc/37/05/23/1073370523.db2.gz CZQCSTRDXHAHDS-KQEPKPNTSA-N 1 1 431.537 -0.033 20 0 IBADMO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001218988177 1073370483 /nfs/dbraw/zinc/37/04/83/1073370483.db2.gz CZQCSTRDXHAHDS-PBGAUENZSA-N 1 1 431.537 -0.033 20 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/nfs/dbraw/zinc/42/23/35/1073422335.db2.gz UPQKTYNGYCOBMG-HOTGVXAUSA-N 1 1 426.562 -0.001 20 0 IBADMO C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001221266606 1073422384 /nfs/dbraw/zinc/42/23/84/1073422384.db2.gz UPQKTYNGYCOBMG-HZPDHXFCSA-N 1 1 426.562 -0.001 20 0 IBADMO C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001221266606 1073422380 /nfs/dbraw/zinc/42/23/80/1073422380.db2.gz UPQKTYNGYCOBMG-HZPDHXFCSA-N 1 1 426.562 -0.001 20 0 IBADMO C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001221266606 1073422368 /nfs/dbraw/zinc/42/23/68/1073422368.db2.gz UPQKTYNGYCOBMG-HZPDHXFCSA-N 1 1 426.562 -0.001 20 0 IBADMO C[C@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001221266608 1073422792 /nfs/dbraw/zinc/42/27/92/1073422792.db2.gz UPQKTYNGYCOBMG-JKSUJKDBSA-N 1 1 426.562 -0.001 20 0 IBADMO C[C@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001221266608 1073422788 /nfs/dbraw/zinc/42/27/88/1073422788.db2.gz UPQKTYNGYCOBMG-JKSUJKDBSA-N 1 1 426.562 -0.001 20 0 IBADMO C[C@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001221266608 1073422781 /nfs/dbraw/zinc/42/27/81/1073422781.db2.gz UPQKTYNGYCOBMG-JKSUJKDBSA-N 1 1 426.562 -0.001 20 0 IBADMO CC(C)(C)[PH+](CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(C)(C)C ZINC001221272084 1073423003 /nfs/dbraw/zinc/42/30/03/1073423003.db2.gz UYDNOGJUBMXSMU-UHFFFAOYSA-N 1 1 431.518 -0.121 20 0 IBADMO NC(=[NH2+])N(CCC[C@H](N)C(=O)SCc1ccccc1)C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001221343395 1073424424 /nfs/dbraw/zinc/42/44/24/1073424424.db2.gz MWHPTLZSEXRURA-GJZGRUSLSA-N 1 1 448.549 -0.329 20 0 IBADMO Cn1c(C(=O)N(CCC[C@H](N)C(=O)SCc2ccccc2)C(N)=[NH2+])cc(=O)n(C)c1=O ZINC001221343655 1073424652 /nfs/dbraw/zinc/42/46/52/1073424652.db2.gz PJPQYVCAPRIMTB-AWEZNQCLSA-N 1 1 446.533 -0.013 20 0 IBADMO Cn1cc(C(=O)N(CCC[C@H](N)C(=O)SCc2ccccc2)C(N)=[NH2+])c(=O)n(C)c1=O ZINC001221343718 1073424798 /nfs/dbraw/zinc/42/47/98/1073424798.db2.gz SGJWKJXGWYFHEQ-HNNXBMFYSA-N 1 1 446.533 -0.013 20 0 IBADMO NC(=[NH2+])N(CCC[C@H](N)C(=O)SCc1ccccc1)C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001221344452 1073424232 /nfs/dbraw/zinc/42/42/32/1073424232.db2.gz XGBQSPGAZPYVRN-KBPBESRZSA-N 1 1 434.522 -0.719 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001221347658 1073424772 /nfs/dbraw/zinc/42/47/72/1073424772.db2.gz BAPJKSVPOWDRQC-IOFRSVQKSA-N 1 1 432.525 -0.538 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001221347662 1073424570 /nfs/dbraw/zinc/42/45/70/1073424570.db2.gz BAPJKSVPOWDRQC-MEOSDYHSSA-N 1 1 432.525 -0.538 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001221347663 1073424324 /nfs/dbraw/zinc/42/43/24/1073424324.db2.gz BAPJKSVPOWDRQC-PCPGWFQFSA-N 1 1 432.525 -0.538 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001221347665 1073424252 /nfs/dbraw/zinc/42/42/52/1073424252.db2.gz BAPJKSVPOWDRQC-WFNJMBFTSA-N 1 1 432.525 -0.538 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001221347729 1073424681 /nfs/dbraw/zinc/42/46/81/1073424681.db2.gz BVUKDPPOELFKIF-OWSLCNJRSA-N 1 1 431.541 -0.870 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001221347730 1073424195 /nfs/dbraw/zinc/42/41/95/1073424195.db2.gz BVUKDPPOELFKIF-VSZNYVQBSA-N 1 1 431.541 -0.870 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001221347731 1073424450 /nfs/dbraw/zinc/42/44/50/1073424450.db2.gz BVUKDPPOELFKIF-XLAORIBOSA-N 1 1 431.541 -0.870 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001221347732 1073424494 /nfs/dbraw/zinc/42/44/94/1073424494.db2.gz BVUKDPPOELFKIF-XSLAGTTESA-N 1 1 431.541 -0.870 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12 ZINC001221347745 1073424622 /nfs/dbraw/zinc/42/46/22/1073424622.db2.gz CJLSBOPQKJIUFY-ULQDDVLXSA-N 1 1 438.492 -0.640 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001221347836 1073424725 /nfs/dbraw/zinc/42/47/25/1073424725.db2.gz DMRIWXSKZVVRKJ-GHYVTOPFSA-N 1 1 430.431 -0.156 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001221347840 1073424746 /nfs/dbraw/zinc/42/47/46/1073424746.db2.gz DMRIWXSKZVVRKJ-PYJNHQTQSA-N 1 1 430.431 -0.156 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001221347842 1073425314 /nfs/dbraw/zinc/42/53/14/1073425314.db2.gz DMRIWXSKZVVRKJ-SAXRGWBVSA-N 1 1 430.431 -0.156 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001221347843 1073425491 /nfs/dbraw/zinc/42/54/91/1073425491.db2.gz DMRIWXSKZVVRKJ-ZZVYKPCYSA-N 1 1 430.431 -0.156 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC001221347911 1073425529 /nfs/dbraw/zinc/42/55/29/1073425529.db2.gz DYOSWLAARONBSS-VJANTYMQSA-N 1 1 448.568 -0.038 20 0 IBADMO CCOc1ccc(C[C@H]([NH3+])C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001221348170 1073425511 /nfs/dbraw/zinc/42/55/11/1073425511.db2.gz HSCGYEVVSQFOTP-FHWLQOOXSA-N 1 1 442.520 -0.118 20 0 IBADMO C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348192 1073425407 /nfs/dbraw/zinc/42/54/07/1073425407.db2.gz IBZYAGTZNYENKM-KKUMJFAQSA-N 1 1 436.513 -0.767 20 0 IBADMO CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348369 1073425517 /nfs/dbraw/zinc/42/55/17/1073425517.db2.gz ILKKKRTWRWEIIX-ILXRZTDVSA-N 1 1 436.513 -0.638 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]1([NH3+])CCc2cc(F)ccc2C1 ZINC001221348370 1073425397 /nfs/dbraw/zinc/42/53/97/1073425397.db2.gz IPMNVHNIOBVVGS-NPPFBWRTSA-N 1 1 442.495 -0.061 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@]1([NH3+])CCc2cc(F)ccc2C1 ZINC001221348372 1073425457 /nfs/dbraw/zinc/42/54/57/1073425457.db2.gz IPMNVHNIOBVVGS-SPEDKVCISA-N 1 1 442.495 -0.061 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001221348446 1073425420 /nfs/dbraw/zinc/42/54/20/1073425420.db2.gz JPEPKKLLOFLEIE-IOFRSVQKSA-N 1 1 432.525 -0.538 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001221348447 1073425501 /nfs/dbraw/zinc/42/55/01/1073425501.db2.gz JPEPKKLLOFLEIE-MEOSDYHSSA-N 1 1 432.525 -0.538 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001221348449 1073425479 /nfs/dbraw/zinc/42/54/79/1073425479.db2.gz JPEPKKLLOFLEIE-PCPGWFQFSA-N 1 1 432.525 -0.538 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001221348451 1073425466 /nfs/dbraw/zinc/42/54/66/1073425466.db2.gz JPEPKKLLOFLEIE-WFNJMBFTSA-N 1 1 432.525 -0.538 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1 ZINC001221348501 1073425354 /nfs/dbraw/zinc/42/53/54/1073425354.db2.gz KMSNPEZSKQIEBX-VJANTYMQSA-N 1 1 440.504 -0.277 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001221348511 1073425446 /nfs/dbraw/zinc/42/54/46/1073425446.db2.gz KOWJPLMUTXJBGW-PVAVHDDUSA-N 1 1 441.492 -0.637 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001221348512 1073425382 /nfs/dbraw/zinc/42/53/82/1073425382.db2.gz KOWJPLMUTXJBGW-XIRDDKMYSA-N 1 1 441.492 -0.637 20 0 IBADMO COc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348598 1073425372 /nfs/dbraw/zinc/42/53/72/1073425372.db2.gz LWMNLFROROLQRF-FHWLQOOXSA-N 1 1 440.504 -0.191 20 0 IBADMO COc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348606 1073425327 /nfs/dbraw/zinc/42/53/27/1073425327.db2.gz LWMNLFROROLQRF-GBESFXJTSA-N 1 1 440.504 -0.191 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001221348808 1073425335 /nfs/dbraw/zinc/42/53/35/1073425335.db2.gz NDUQGPVQNMERKS-ULQDDVLXSA-N 1 1 448.524 -0.826 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001221348809 1073425305 /nfs/dbraw/zinc/42/53/05/1073425305.db2.gz NDUQGPVQNMERKS-YESZJQIVSA-N 1 1 448.524 -0.826 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001221348846 1073426150 /nfs/dbraw/zinc/42/61/50/1073426150.db2.gz OJYFLPRRHVMQBJ-ULQDDVLXSA-N 1 1 434.447 -0.239 20 0 IBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001221348864 1073426190 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CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COCc1ccco1)C(=O)NCC(N)=O ZINC001252642388 1073561305 /nfs/dbraw/zinc/56/13/05/1073561305.db2.gz ZTZCUVGLPNIRJV-NJAFHUGGSA-N 1 1 438.525 -0.246 20 0 IBADMO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccco1)C(=O)NCC(N)=O ZINC001252642388 1073561293 /nfs/dbraw/zinc/56/12/93/1073561293.db2.gz ZTZCUVGLPNIRJV-NJAFHUGGSA-N 1 1 438.525 -0.246 20 0 IBADMO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COCc1ccco1)C(=O)NCC(N)=O ZINC001252642389 1073561527 /nfs/dbraw/zinc/56/15/27/1073561527.db2.gz ZTZCUVGLPNIRJV-SZMVWBNQSA-N 1 1 438.525 -0.246 20 0 IBADMO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COCc1ccco1)C(=O)NCC(N)=O ZINC001252642389 1073561521 /nfs/dbraw/zinc/56/15/21/1073561521.db2.gz ZTZCUVGLPNIRJV-SZMVWBNQSA-N 1 1 438.525 -0.246 20 0 IBADMO CC(C)OC[C@H](O)C[N@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001252674811 1073561480 /nfs/dbraw/zinc/56/14/80/1073561480.db2.gz BBNOQFWFDPWTAK-GGPKGHCWSA-N 1 1 447.598 -0.253 20 0 IBADMO 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449.504 -0.105 20 0 IBADMO CCC[C@H](O)C[NH2+][C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC001252802013 1073562576 /nfs/dbraw/zinc/56/25/76/1073562576.db2.gz FFKNIRGRPKWCOJ-DOQFWFFUSA-N 1 1 433.454 -0.180 20 0 IBADMO CCC[C@@H](O)C[NH2+][C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC001252802016 1073562639 /nfs/dbraw/zinc/56/26/39/1073562639.db2.gz FFKNIRGRPKWCOJ-MGYGNFHQSA-N 1 1 433.454 -0.180 20 0 IBADMO COc1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001252914811 1073563911 /nfs/dbraw/zinc/56/39/11/1073563911.db2.gz AZMOQVMYPXFBKF-BZSNNMDCSA-N 1 1 431.489 -0.402 20 0 IBADMO COc1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001252914812 1073564270 /nfs/dbraw/zinc/56/42/70/1073564270.db2.gz AZMOQVMYPXFBKF-SQNIBIBYSA-N 1 1 431.489 -0.402 20 0 IBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950787 1073564832 /nfs/dbraw/zinc/56/48/32/1073564832.db2.gz 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/nfs/dbraw/zinc/56/54/98/1073565498.db2.gz IGYFHYAMEWLHPA-BNKGTRELSA-N 1 1 429.514 -0.248 20 0 IBADMO CCCC[C@H](CC)COC[C@H](O)C[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001253025176 1073565677 /nfs/dbraw/zinc/56/56/77/1073565677.db2.gz IGYFHYAMEWLHPA-BTAUFWJCSA-N 1 1 429.514 -0.248 20 0 IBADMO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001253025177 1073565601 /nfs/dbraw/zinc/56/56/01/1073565601.db2.gz IGYFHYAMEWLHPA-CRMPAWTRSA-N 1 1 429.514 -0.248 20 0 IBADMO CCCC[C@H](CC)COC[C@@H](O)C[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001253025178 1073565398 /nfs/dbraw/zinc/56/53/98/1073565398.db2.gz IGYFHYAMEWLHPA-DJYIOQBOSA-N 1 1 429.514 -0.248 20 0 IBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC001253027723 1073565638 /nfs/dbraw/zinc/56/56/38/1073565638.db2.gz QIXDIOUTHZYKIQ-INIZCTEOSA-N 1 1 447.565 -0.077 20 0 IBADMO O=C(N[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CCO)cc2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001253140154 1073566195 /nfs/dbraw/zinc/56/61/95/1073566195.db2.gz SRPMQIBTWNXNKJ-KRZXBLKESA-N 1 1 428.489 -0.120 20 0 IBADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CCO)cc2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001253140154 1073566182 /nfs/dbraw/zinc/56/61/82/1073566182.db2.gz SRPMQIBTWNXNKJ-KRZXBLKESA-N 1 1 428.489 -0.120 20 0 IBADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CCO)cc2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001253140155 1073565990 /nfs/dbraw/zinc/56/59/90/1073565990.db2.gz SRPMQIBTWNXNKJ-RCVZYCBYSA-N 1 1 428.489 -0.120 20 0 IBADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CCO)cc2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001253140155 1073565985 /nfs/dbraw/zinc/56/59/85/1073565985.db2.gz SRPMQIBTWNXNKJ-RCVZYCBYSA-N 1 1 428.489 -0.120 20 0 IBADMO COCCNC(=O)CN1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC001253272920 1073567437 /nfs/dbraw/zinc/56/74/37/1073567437.db2.gz MDDRKVOYSLABET-UHFFFAOYSA-N 1 1 427.527 -0.957 20 0 IBADMO C[C@@](O)(C[NH2+][C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O)C(=O)OCc1ccccc1 ZINC001253663826 1073570566 /nfs/dbraw/zinc/57/05/66/1073570566.db2.gz MRYDSUXJYPMVMT-NPPFBWRTSA-N 1 1 443.504 -0.119 20 0 IBADMO C[C@](O)(C[NH2+][C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O)C(=O)OCc1ccccc1 ZINC001253663827 1073570867 /nfs/dbraw/zinc/57/08/67/1073570867.db2.gz MRYDSUXJYPMVMT-SPEDKVCISA-N 1 1 443.504 -0.119 20 0 IBADMO C[C@](O)(C[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)C(=O)OCc1ccccc1 ZINC001253664211 1073570528 /nfs/dbraw/zinc/57/05/28/1073570528.db2.gz UUPYRWSBCQEUBL-AVRDEDQJSA-N 1 1 429.473 -0.011 20 0 IBADMO C[C@@](O)(C[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)C(=O)OCc1ccccc1 ZINC001253664212 1073570915 /nfs/dbraw/zinc/57/09/15/1073570915.db2.gz UUPYRWSBCQEUBL-PGRDOPGGSA-N 1 1 429.473 -0.011 20 0 IBADMO C[C@@](O)(C[NH2+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)OCc1ccccc1 ZINC001253667754 1073571601 /nfs/dbraw/zinc/57/16/01/1073571601.db2.gz SOBHJLVTNFDTRE-SFYKDHMMSA-N 1 1 443.500 -0.356 20 0 IBADMO C[C@](O)(C[NH2+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)OCc1ccccc1 ZINC001253667755 1073571183 /nfs/dbraw/zinc/57/11/83/1073571183.db2.gz SOBHJLVTNFDTRE-YDHSSHFGSA-N 1 1 443.500 -0.356 20 0 IBADMO CCOC(=O)C[C@H](O)C[NH+]1CCN(c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC1 ZINC001253799373 1073573227 /nfs/dbraw/zinc/57/32/27/1073573227.db2.gz FAVXFIXHBJSPBZ-ZDUSSCGKSA-N 1 1 441.510 -0.091 20 0 IBADMO CNC(=O)CN1CCO[C@H]2C[N@@H+](C[C@H](O)[C@@H](c3ccc(F)cc3F)n3cncn3)C[C@H]21 ZINC001253865481 1073573908 /nfs/dbraw/zinc/57/39/08/1073573908.db2.gz CTAGOTDZONGJHU-DOADOZAASA-N 1 1 436.463 -0.362 20 0 IBADMO CNC(=O)CN1CCO[C@H]2C[N@H+](C[C@H](O)[C@@H](c3ccc(F)cc3F)n3cncn3)C[C@H]21 ZINC001253865481 1073573899 /nfs/dbraw/zinc/57/38/99/1073573899.db2.gz CTAGOTDZONGJHU-DOADOZAASA-N 1 1 436.463 -0.362 20 0 IBADMO CNC(=O)CN1CCO[C@H]2C[N@@H+](C[C@@H](O)[C@@H](c3ccc(F)cc3F)n3cncn3)C[C@H]21 ZINC001253865482 1073573981 /nfs/dbraw/zinc/57/39/81/1073573981.db2.gz CTAGOTDZONGJHU-FTEYMNFISA-N 1 1 436.463 -0.362 20 0 IBADMO CNC(=O)CN1CCO[C@H]2C[N@H+](C[C@@H](O)[C@@H](c3ccc(F)cc3F)n3cncn3)C[C@H]21 ZINC001253865482 1073573977 /nfs/dbraw/zinc/57/39/77/1073573977.db2.gz CTAGOTDZONGJHU-FTEYMNFISA-N 1 1 436.463 -0.362 20 0 IBADMO CNC(=O)CN1CCO[C@H]2C[N@@H+](C[C@H](O)[C@H](c3ccc(F)cc3F)n3cncn3)C[C@H]21 ZINC001253865484 1073573766 /nfs/dbraw/zinc/57/37/66/1073573766.db2.gz CTAGOTDZONGJHU-LXZJYRNTSA-N 1 1 436.463 -0.362 20 0 IBADMO CNC(=O)CN1CCO[C@H]2C[N@H+](C[C@H](O)[C@H](c3ccc(F)cc3F)n3cncn3)C[C@H]21 ZINC001253865484 1073573753 /nfs/dbraw/zinc/57/37/53/1073573753.db2.gz CTAGOTDZONGJHU-LXZJYRNTSA-N 1 1 436.463 -0.362 20 0 IBADMO CNC(=O)CN1CCO[C@H]2C[N@@H+](C[C@@H](O)[C@H](c3ccc(F)cc3F)n3cncn3)C[C@H]21 ZINC001253865486 1073573801 /nfs/dbraw/zinc/57/38/01/1073573801.db2.gz CTAGOTDZONGJHU-XSYGEPLQSA-N 1 1 436.463 -0.362 20 0 IBADMO CNC(=O)CN1CCO[C@H]2C[N@H+](C[C@@H](O)[C@H](c3ccc(F)cc3F)n3cncn3)C[C@H]21 ZINC001253865486 1073573788 /nfs/dbraw/zinc/57/37/88/1073573788.db2.gz CTAGOTDZONGJHU-XSYGEPLQSA-N 1 1 436.463 -0.362 20 0 IBADMO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1)C2 ZINC001253872393 1073573835 /nfs/dbraw/zinc/57/38/35/1073573835.db2.gz ZTVQAZYYJZEFTN-HOJAQTOUSA-N 1 1 434.447 -0.071 20 0 IBADMO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1)C2 ZINC001253872394 1073573660 /nfs/dbraw/zinc/57/36/60/1073573660.db2.gz ZTVQAZYYJZEFTN-IHPCNDPISA-N 1 1 434.447 -0.071 20 0 IBADMO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1)C2 ZINC001253872395 1073573872 /nfs/dbraw/zinc/57/38/72/1073573872.db2.gz ZTVQAZYYJZEFTN-RLLQIKCJSA-N 1 1 434.447 -0.071 20 0 IBADMO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1)C2 ZINC001253872396 1073573944 /nfs/dbraw/zinc/57/39/44/1073573944.db2.gz ZTVQAZYYJZEFTN-SXLOBPIMSA-N 1 1 434.447 -0.071 20 0 IBADMO CN(C(=O)c1ccnc2c(C(N)=O)cnn21)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001253940728 1073574743 /nfs/dbraw/zinc/57/47/43/1073574743.db2.gz BHAHZFCQXKKDDP-UHFFFAOYSA-N 1 1 442.524 -0.861 20 0 IBADMO COc1cccc(OC[C@H](O)C[NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 ZINC001253983946 1073574853 /nfs/dbraw/zinc/57/48/53/1073574853.db2.gz KMQKJYCYNSIICS-UXPWSPDFSA-N 1 1 431.489 -0.402 20 0 IBADMO COc1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 ZINC001253983956 1073574960 /nfs/dbraw/zinc/57/49/60/1073574960.db2.gz KMQKJYCYNSIICS-VDGAXYAQSA-N 1 1 431.489 -0.402 20 0 IBADMO NS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)co1 ZINC001254052216 1073575525 /nfs/dbraw/zinc/57/55/25/1073575525.db2.gz WYFVGJZEGHUXDD-UHFFFAOYSA-N 1 1 428.511 -0.382 20 0 IBADMO CC[NH+](CC)Cc1cn([C@@H]2[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]2O)nn1 ZINC001254112551 1073579111 /nfs/dbraw/zinc/57/91/11/1073579111.db2.gz BOWMNDPULWFZQB-FQBWVUSXSA-N 1 1 442.469 -0.195 20 0 IBADMO CC[NH+](CC)Cc1cn([C@H]2[C@H](O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)nn1 ZINC001254112553 1073579303 /nfs/dbraw/zinc/57/93/03/1073579303.db2.gz 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430.575 -0.041 20 0 IBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288803138 1073711161 /nfs/dbraw/zinc/71/11/61/1073711161.db2.gz ROQHQWCCVTYDPK-SUNYJGFJSA-N 1 1 430.575 -0.041 20 0 IBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CC(=O)N(C)C ZINC001288806303 1073711734 /nfs/dbraw/zinc/71/17/34/1073711734.db2.gz FKNDSCJPVSBSHH-ILXRZTDVSA-N 1 1 443.574 -0.867 20 0 IBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CC(=O)N(C)C ZINC001288806304 1073711678 /nfs/dbraw/zinc/71/16/78/1073711678.db2.gz FKNDSCJPVSBSHH-KKUMJFAQSA-N 1 1 443.574 -0.867 20 0 IBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC(=O)N(C)C ZINC001288806305 1073711628 /nfs/dbraw/zinc/71/16/28/1073711628.db2.gz FKNDSCJPVSBSHH-QLFBSQMISA-N 1 1 443.574 -0.867 20 0 IBADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC(=O)N(C)C ZINC001288806306 1073711707 /nfs/dbraw/zinc/71/17/07/1073711707.db2.gz 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HQDLQLOIRUKJDT-OAHLLOKOSA-N 1 1 440.574 -0.138 20 0 IBADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001290524162 1073728719 /nfs/dbraw/zinc/72/87/19/1073728719.db2.gz ZCHHKMOUWJGFPT-HNNXBMFYSA-N 1 1 436.542 -0.094 20 0 IBADMO Cc1[nH+]ccn1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001290524165 1073729211 /nfs/dbraw/zinc/72/92/11/1073729211.db2.gz ZCHHKMOUWJGFPT-OAHLLOKOSA-N 1 1 436.542 -0.094 20 0 IBADMO Cn1cc([C@@H]2[C@@H](C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001290721829 1073731373 /nfs/dbraw/zinc/73/13/73/1073731373.db2.gz DYXQFSALSHRPOV-VAMGGRTRSA-N 1 1 426.521 -0.151 20 0 IBADMO Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001290793848 1073731411 /nfs/dbraw/zinc/73/14/11/1073731411.db2.gz XJHONOYNIKQWDN-INIZCTEOSA-N 1 1 439.542 -0.147 20 0 IBADMO Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001290793849 1073731253 /nfs/dbraw/zinc/73/12/53/1073731253.db2.gz XJHONOYNIKQWDN-MRXNPFEDSA-N 1 1 439.542 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C[NH+]1CCN(C(=O)C2CCN(C(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)CC2)CC1 ZINC001290901962 1073734301 /nfs/dbraw/zinc/73/43/01/1073734301.db2.gz JSPJAOKXNPQXBW-IBGZPJMESA-N 1 1 434.512 -0.142 20 0 IBADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn43)CC2)CC1 ZINC001290902644 1073734325 /nfs/dbraw/zinc/73/43/25/1073734325.db2.gz RIKXYKSWGBCWJX-UHFFFAOYSA-N 1 1 434.522 -0.392 20 0 IBADMO C[N@@H+](CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCC[C@H]1O ZINC001290954948 1073735641 /nfs/dbraw/zinc/73/56/41/1073735641.db2.gz RKTDEKHMPRUEGX-IAGOWNOFSA-N 1 1 425.555 -0.505 20 0 IBADMO O=C(C[NH+]1CCC(CO)CC1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001290955728 1073735426 /nfs/dbraw/zinc/73/54/26/1073735426.db2.gz WIFZWYDBWJDEJI-UHFFFAOYSA-N 1 1 425.555 -0.646 20 0 IBADMO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001291166773 1073736627 /nfs/dbraw/zinc/73/66/27/1073736627.db2.gz FZWFYLAAARFKQG-IIDMSEBBSA-N 1 1 428.559 -0.476 20 0 IBADMO 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CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001295844299 1073774824 /nfs/dbraw/zinc/77/48/24/1073774824.db2.gz AQDIFWSNUABPOQ-CABCVRRESA-N 1 1 432.529 -0.894 20 0 IBADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001295844304 1073774810 /nfs/dbraw/zinc/77/48/10/1073774810.db2.gz AQDIFWSNUABPOQ-GJZGRUSLSA-N 1 1 432.529 -0.894 20 0 IBADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001295844306 1073774858 /nfs/dbraw/zinc/77/48/58/1073774858.db2.gz AQDIFWSNUABPOQ-HUUCEWRRSA-N 1 1 432.529 -0.894 20 0 IBADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001295844307 1073774774 /nfs/dbraw/zinc/77/47/74/1073774774.db2.gz AQDIFWSNUABPOQ-LSDHHAIUSA-N 1 1 432.529 -0.894 20 0 IBADMO CC[N@@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C1CC1 ZINC001295858572 1073774785 /nfs/dbraw/zinc/77/47/85/1073774785.db2.gz ZMAMNJYYLBZILY-HNNXBMFYSA-N 1 1 441.558 -0.969 20 0 IBADMO CC[N@@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C1CC1 ZINC001295858583 1073774867 /nfs/dbraw/zinc/77/48/67/1073774867.db2.gz ZMAMNJYYLBZILY-OAHLLOKOSA-N 1 1 441.558 -0.969 20 0 IBADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001295867808 1073774842 /nfs/dbraw/zinc/77/48/42/1073774842.db2.gz ZVKGGLRTYAGJMZ-INIZCTEOSA-N 1 1 446.556 -0.722 20 0 IBADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001295867809 1073774728 /nfs/dbraw/zinc/77/47/28/1073774728.db2.gz ZVKGGLRTYAGJMZ-MRXNPFEDSA-N 1 1 446.556 -0.722 20 0 IBADMO CCN(CCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001295874344 1073775276 /nfs/dbraw/zinc/77/52/76/1073775276.db2.gz QSFWRAWXHYTTLJ-GOSISDBHSA-N 1 1 428.559 -0.548 20 0 IBADMO CCN(CCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001295874344 1073775274 /nfs/dbraw/zinc/77/52/74/1073775274.db2.gz QSFWRAWXHYTTLJ-GOSISDBHSA-N 1 1 428.559 -0.548 20 0 IBADMO CCN(CCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001295874359 1073775352 /nfs/dbraw/zinc/77/53/52/1073775352.db2.gz QSFWRAWXHYTTLJ-SFHVURJKSA-N 1 1 428.559 -0.548 20 0 IBADMO CCN(CCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001295874359 1073775348 /nfs/dbraw/zinc/77/53/48/1073775348.db2.gz QSFWRAWXHYTTLJ-SFHVURJKSA-N 1 1 428.559 -0.548 20 0 IBADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CCC[NH+]1CCC(O)CC1 ZINC001295881880 1073775315 /nfs/dbraw/zinc/77/53/15/1073775315.db2.gz UUGLQWNELYSLPM-INIZCTEOSA-N 1 1 442.586 -0.053 20 0 IBADMO CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1CCC[NH+]1CCC(O)CC1 ZINC001295881881 1073775305 /nfs/dbraw/zinc/77/53/05/1073775305.db2.gz UUGLQWNELYSLPM-MRXNPFEDSA-N 1 1 442.586 -0.053 20 0 IBADMO CCN1C(=O)[C@@H]2CN(c3nnc(-c4cnccn4)n3CC[N@@H+](C)CCOC)CCN2C1=O ZINC001295891353 1073776259 /nfs/dbraw/zinc/77/62/59/1073776259.db2.gz YWTPIMALUNXDII-INIZCTEOSA-N 1 1 443.512 -0.214 20 0 IBADMO 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IBADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001296079898 1073778535 /nfs/dbraw/zinc/77/85/35/1073778535.db2.gz HZTHMSXFNJQIDJ-MRXNPFEDSA-N 1 1 431.545 -0.072 20 0 IBADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 ZINC001296081509 1073778489 /nfs/dbraw/zinc/77/84/89/1073778489.db2.gz VGUVFGXSTLQIDV-CABCVRRESA-N 1 1 448.615 -0.003 20 0 IBADMO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 ZINC001296081509 1073778485 /nfs/dbraw/zinc/77/84/85/1073778485.db2.gz VGUVFGXSTLQIDV-CABCVRRESA-N 1 1 448.615 -0.003 20 0 IBADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 ZINC001296081510 1073778514 /nfs/dbraw/zinc/77/85/14/1073778514.db2.gz VGUVFGXSTLQIDV-GJZGRUSLSA-N 1 1 448.615 -0.003 20 0 IBADMO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 ZINC001296081510 1073778511 /nfs/dbraw/zinc/77/85/11/1073778511.db2.gz VGUVFGXSTLQIDV-GJZGRUSLSA-N 1 1 448.615 -0.003 20 0 IBADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 ZINC001296081511 1073778466 /nfs/dbraw/zinc/77/84/66/1073778466.db2.gz VGUVFGXSTLQIDV-HUUCEWRRSA-N 1 1 448.615 -0.003 20 0 IBADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 ZINC001296081511 1073778462 /nfs/dbraw/zinc/77/84/62/1073778462.db2.gz VGUVFGXSTLQIDV-HUUCEWRRSA-N 1 1 448.615 -0.003 20 0 IBADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 ZINC001296081512 1073778598 /nfs/dbraw/zinc/77/85/98/1073778598.db2.gz VGUVFGXSTLQIDV-LSDHHAIUSA-N 1 1 448.615 -0.003 20 0 IBADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 ZINC001296081512 1073778592 /nfs/dbraw/zinc/77/85/92/1073778592.db2.gz VGUVFGXSTLQIDV-LSDHHAIUSA-N 1 1 448.615 -0.003 20 0 IBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001296120735 1073779710 /nfs/dbraw/zinc/77/97/10/1073779710.db2.gz KNZIQCFFDVAAEO-CVEARBPZSA-N 1 1 429.591 -0.249 20 0 IBADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001296120736 1073779815 /nfs/dbraw/zinc/77/98/15/1073779815.db2.gz KNZIQCFFDVAAEO-HOTGVXAUSA-N 1 1 429.591 -0.249 20 0 IBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001296120737 1073779633 /nfs/dbraw/zinc/77/96/33/1073779633.db2.gz KNZIQCFFDVAAEO-HZPDHXFCSA-N 1 1 429.591 -0.249 20 0 IBADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001296120738 1073779654 /nfs/dbraw/zinc/77/96/54/1073779654.db2.gz KNZIQCFFDVAAEO-JKSUJKDBSA-N 1 1 429.591 -0.249 20 0 IBADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001296132340 1073779678 /nfs/dbraw/zinc/77/96/78/1073779678.db2.gz BBCSVYMCUCBAFD-KRWDZBQOSA-N 1 1 432.573 -0.247 20 0 IBADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001296132341 1073779870 /nfs/dbraw/zinc/77/98/70/1073779870.db2.gz BBCSVYMCUCBAFD-QGZVFWFLSA-N 1 1 432.573 -0.247 20 0 IBADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001296133432 1073779854 /nfs/dbraw/zinc/77/98/54/1073779854.db2.gz UBZDMLHSJJZNLY-DOTOQJQBSA-N 1 1 432.573 -0.043 20 0 IBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001296133439 1073779834 /nfs/dbraw/zinc/77/98/34/1073779834.db2.gz UBZDMLHSJJZNLY-NVXWUHKLSA-N 1 1 432.573 -0.043 20 0 IBADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001296133440 1073779526 /nfs/dbraw/zinc/77/95/26/1073779526.db2.gz UBZDMLHSJJZNLY-RDJZCZTQSA-N 1 1 432.573 -0.043 20 0 IBADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001296133441 1073779731 /nfs/dbraw/zinc/77/97/31/1073779731.db2.gz UBZDMLHSJJZNLY-WBVHZDCISA-N 1 1 432.573 -0.043 20 0 IBADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296143633 1073779761 /nfs/dbraw/zinc/77/97/61/1073779761.db2.gz ICNQXYJJYVVJBZ-NEPJUHHUSA-N 1 1 437.517 -0.200 20 0 IBADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296143634 1073779799 /nfs/dbraw/zinc/77/97/99/1073779799.db2.gz ICNQXYJJYVVJBZ-NWDGAFQWSA-N 1 1 437.517 -0.200 20 0 IBADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296143635 1073780250 /nfs/dbraw/zinc/78/02/50/1073780250.db2.gz ICNQXYJJYVVJBZ-RYUDHWBXSA-N 1 1 437.517 -0.200 20 0 IBADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296143636 1073780615 /nfs/dbraw/zinc/78/06/15/1073780615.db2.gz ICNQXYJJYVVJBZ-VXGBXAGGSA-N 1 1 437.517 -0.200 20 0 IBADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001296147808 1073780237 /nfs/dbraw/zinc/78/02/37/1073780237.db2.gz SIRJDADAJIZKOZ-MPGHIAIKSA-N 1 1 429.591 -0.515 20 0 IBADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001296147808 1073780230 /nfs/dbraw/zinc/78/02/30/1073780230.db2.gz SIRJDADAJIZKOZ-MPGHIAIKSA-N 1 1 429.591 -0.515 20 0 IBADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001296147809 1073780408 /nfs/dbraw/zinc/78/04/08/1073780408.db2.gz SIRJDADAJIZKOZ-RLFYNMQTSA-N 1 1 429.591 -0.515 20 0 IBADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001296147809 1073780400 /nfs/dbraw/zinc/78/04/00/1073780400.db2.gz SIRJDADAJIZKOZ-RLFYNMQTSA-N 1 1 429.591 -0.515 20 0 IBADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001296147810 1073780338 /nfs/dbraw/zinc/78/03/38/1073780338.db2.gz SIRJDADAJIZKOZ-RVKKMQEKSA-N 1 1 429.591 -0.515 20 0 IBADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001296147810 1073780332 /nfs/dbraw/zinc/78/03/32/1073780332.db2.gz SIRJDADAJIZKOZ-RVKKMQEKSA-N 1 1 429.591 -0.515 20 0 IBADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001296147811 1073780539 /nfs/dbraw/zinc/78/05/39/1073780539.db2.gz SIRJDADAJIZKOZ-VKJFTORMSA-N 1 1 429.591 -0.515 20 0 IBADMO CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001296147811 1073780534 /nfs/dbraw/zinc/78/05/34/1073780534.db2.gz SIRJDADAJIZKOZ-VKJFTORMSA-N 1 1 429.591 -0.515 20 0 IBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001296156593 1073780557 /nfs/dbraw/zinc/78/05/57/1073780557.db2.gz VENQBADIZTXJFS-CABCVRRESA-N 1 1 428.559 -0.179 20 0 IBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001296156596 1073780183 /nfs/dbraw/zinc/78/01/83/1073780183.db2.gz VENQBADIZTXJFS-GJZGRUSLSA-N 1 1 428.559 -0.179 20 0 IBADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001296156598 1073780194 /nfs/dbraw/zinc/78/01/94/1073780194.db2.gz VENQBADIZTXJFS-HUUCEWRRSA-N 1 1 428.559 -0.179 20 0 IBADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001296156601 1073780592 /nfs/dbraw/zinc/78/05/92/1073780592.db2.gz VENQBADIZTXJFS-LSDHHAIUSA-N 1 1 428.559 -0.179 20 0 IBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C[C@H]1C ZINC001296157494 1073781285 /nfs/dbraw/zinc/78/12/85/1073781285.db2.gz YFIDWXSROKNAMB-CABCVRRESA-N 1 1 425.559 -0.205 20 0 IBADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C[C@@H]1C ZINC001296157495 1073781323 /nfs/dbraw/zinc/78/13/23/1073781323.db2.gz YFIDWXSROKNAMB-GJZGRUSLSA-N 1 1 425.559 -0.205 20 0 IBADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C[C@H]1C ZINC001296157496 1073781257 /nfs/dbraw/zinc/78/12/57/1073781257.db2.gz YFIDWXSROKNAMB-HUUCEWRRSA-N 1 1 425.559 -0.205 20 0 IBADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C[C@@H]1C ZINC001296157497 1073781303 /nfs/dbraw/zinc/78/13/03/1073781303.db2.gz YFIDWXSROKNAMB-LSDHHAIUSA-N 1 1 425.559 -0.205 20 0 IBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCCCO)C2)CC1 ZINC001296178655 1073781018 /nfs/dbraw/zinc/78/10/18/1073781018.db2.gz CBVQDZICZDLTSM-MSOLQXFVSA-N 1 1 435.573 -0.156 20 0 IBADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCCCO)C2)CC1 ZINC001296178662 1073781151 /nfs/dbraw/zinc/78/11/51/1073781151.db2.gz CBVQDZICZDLTSM-QZTJIDSGSA-N 1 1 435.573 -0.156 20 0 IBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCCCO)C2)CC1 ZINC001296178664 1073781270 /nfs/dbraw/zinc/78/12/70/1073781270.db2.gz CBVQDZICZDLTSM-ROUUACIJSA-N 1 1 435.573 -0.156 20 0 IBADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCCCO)C2)CC1 ZINC001296178666 1073781203 /nfs/dbraw/zinc/78/12/03/1073781203.db2.gz CBVQDZICZDLTSM-ZWKOTPCHSA-N 1 1 435.573 -0.156 20 0 IBADMO CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001296180601 1073781073 /nfs/dbraw/zinc/78/10/73/1073781073.db2.gz OHUUXZDTJDRCNQ-DLBZAZTESA-N 1 1 432.573 -0.076 20 0 IBADMO CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001296180603 1073781054 /nfs/dbraw/zinc/78/10/54/1073781054.db2.gz OHUUXZDTJDRCNQ-IAGOWNOFSA-N 1 1 432.573 -0.076 20 0 IBADMO CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001296180605 1073781171 /nfs/dbraw/zinc/78/11/71/1073781171.db2.gz OHUUXZDTJDRCNQ-IRXDYDNUSA-N 1 1 432.573 -0.076 20 0 IBADMO CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001296180606 1073781124 /nfs/dbraw/zinc/78/11/24/1073781124.db2.gz OHUUXZDTJDRCNQ-SJORKVTESA-N 1 1 432.573 -0.076 20 0 IBADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001296192497 1073781228 /nfs/dbraw/zinc/78/12/28/1073781228.db2.gz FMPBHDIJPNLINC-GOSISDBHSA-N 1 1 446.600 -0.048 20 0 IBADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001296192516 1073781336 /nfs/dbraw/zinc/78/13/36/1073781336.db2.gz FMPBHDIJPNLINC-SFHVURJKSA-N 1 1 446.600 -0.048 20 0 IBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001296196960 1073781622 /nfs/dbraw/zinc/78/16/22/1073781622.db2.gz XBKYRMBFOQUMBM-BBWFWOEESA-N 1 1 432.573 -0.186 20 0 IBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001296196961 1073781867 /nfs/dbraw/zinc/78/18/67/1073781867.db2.gz XBKYRMBFOQUMBM-GVDBMIGSSA-N 1 1 432.573 -0.186 20 0 IBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001296196962 1073781902 /nfs/dbraw/zinc/78/19/02/1073781902.db2.gz XBKYRMBFOQUMBM-ULQDDVLXSA-N 1 1 432.573 -0.186 20 0 IBADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001296196963 1073781669 /nfs/dbraw/zinc/78/16/69/1073781669.db2.gz XBKYRMBFOQUMBM-YESZJQIVSA-N 1 1 432.573 -0.186 20 0 IBADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)CC2)CC1 ZINC001296202203 1073781832 /nfs/dbraw/zinc/78/18/32/1073781832.db2.gz AZNHZWMMYSBHHS-UHFFFAOYSA-N 1 1 432.573 -0.132 20 0 IBADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001296203009 1073781706 /nfs/dbraw/zinc/78/17/06/1073781706.db2.gz KGUFQWDJWWVGDI-KRWDZBQOSA-N 1 1 432.573 -0.075 20 0 IBADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001296203011 1073781792 /nfs/dbraw/zinc/78/17/92/1073781792.db2.gz KGUFQWDJWWVGDI-QGZVFWFLSA-N 1 1 432.573 -0.075 20 0 IBADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC001296203090 1073781736 /nfs/dbraw/zinc/78/17/36/1073781736.db2.gz HURPZYUNZVUHIQ-UHFFFAOYSA-N 1 1 448.616 -0.405 20 0 IBADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296203339 1073781809 /nfs/dbraw/zinc/78/18/09/1073781809.db2.gz LFFIIXZINQOTNJ-KRWDZBQOSA-N 1 1 447.588 -0.342 20 0 IBADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296203340 1073781888 /nfs/dbraw/zinc/78/18/88/1073781888.db2.gz LFFIIXZINQOTNJ-QGZVFWFLSA-N 1 1 447.588 -0.342 20 0 IBADMO CCN1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001296212041 1073781758 /nfs/dbraw/zinc/78/17/58/1073781758.db2.gz SIWBXADIPTYFNW-UHFFFAOYSA-N 1 1 432.573 -0.246 20 0 IBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001296335788 1073786041 /nfs/dbraw/zinc/78/60/41/1073786041.db2.gz HSWCIMCLTIUDKW-BEFAXECRSA-N 1 1 437.570 -0.132 20 0 IBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001296335789 1073786095 /nfs/dbraw/zinc/78/60/95/1073786095.db2.gz HSWCIMCLTIUDKW-DNVCBOLYSA-N 1 1 437.570 -0.132 20 0 IBADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001296335790 1073786562 /nfs/dbraw/zinc/78/65/62/1073786562.db2.gz HSWCIMCLTIUDKW-HNAYVOBHSA-N 1 1 437.570 -0.132 20 0 IBADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001296335791 1073786582 /nfs/dbraw/zinc/78/65/82/1073786582.db2.gz HSWCIMCLTIUDKW-KXBFYZLASA-N 1 1 437.570 -0.132 20 0 IBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001296341861 1073787092 /nfs/dbraw/zinc/78/70/92/1073787092.db2.gz WHARHTRAHMQKFH-FCEWJHQRSA-N 1 1 442.586 -0.243 20 0 IBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001296341862 1073787156 /nfs/dbraw/zinc/78/71/56/1073787156.db2.gz WHARHTRAHMQKFH-FRQCXROJSA-N 1 1 442.586 -0.243 20 0 IBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001296341863 1073787706 /nfs/dbraw/zinc/78/77/06/1073787706.db2.gz WHARHTRAHMQKFH-GPMSIDNRSA-N 1 1 442.586 -0.243 20 0 IBADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001296341864 1073787643 /nfs/dbraw/zinc/78/76/43/1073787643.db2.gz WHARHTRAHMQKFH-MDZRGWNJSA-N 1 1 442.586 -0.243 20 0 IBADMO CCO[C@@]1(c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001296558334 1073788838 /nfs/dbraw/zinc/78/88/38/1073788838.db2.gz FSYSHMHJUWRQGM-MOPGFXCFSA-N 1 1 445.586 -0.132 20 0 IBADMO CCO[C@@]1(c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001296558337 1073788813 /nfs/dbraw/zinc/78/88/13/1073788813.db2.gz FSYSHMHJUWRQGM-OALUTQOASA-N 1 1 445.586 -0.132 20 0 IBADMO CCO[C@]1(c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001296558339 1073788736 /nfs/dbraw/zinc/78/87/36/1073788736.db2.gz FSYSHMHJUWRQGM-RBUKOAKNSA-N 1 1 445.586 -0.132 20 0 IBADMO CCO[C@]1(c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001296558341 1073788796 /nfs/dbraw/zinc/78/87/96/1073788796.db2.gz FSYSHMHJUWRQGM-RTBURBONSA-N 1 1 445.586 -0.132 20 0 IBADMO CCO[C@]1(c2nnc(N3CCC(C(=O)NC)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001296585808 1073789265 /nfs/dbraw/zinc/78/92/65/1073789265.db2.gz QFNUEEBXUASQIA-LEWJYISDSA-N 1 1 436.557 -0.041 20 0 IBADMO CCO[C@]1(c2nnc(N3CCC(C(=O)NC)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001296585809 1073789335 /nfs/dbraw/zinc/78/93/35/1073789335.db2.gz QFNUEEBXUASQIA-NHCUHLMSSA-N 1 1 436.557 -0.041 20 0 IBADMO CCO[C@@]1(c2nnc(N3CCC(C(=O)NC)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001296585810 1073789223 /nfs/dbraw/zinc/78/92/23/1073789223.db2.gz QFNUEEBXUASQIA-RTWAWAEBSA-N 1 1 436.557 -0.041 20 0 IBADMO 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CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC001301763798 1073875134 /nfs/dbraw/zinc/87/51/34/1073875134.db2.gz JYTLVBYVNUPWMY-GOSISDBHSA-N 1 1 448.572 -0.899 20 0 IBADMO CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC001301763798 1073875113 /nfs/dbraw/zinc/87/51/13/1073875113.db2.gz JYTLVBYVNUPWMY-GOSISDBHSA-N 1 1 448.572 -0.899 20 0 IBADMO CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC001301763802 1073875328 /nfs/dbraw/zinc/87/53/28/1073875328.db2.gz JYTLVBYVNUPWMY-SFHVURJKSA-N 1 1 448.572 -0.899 20 0 IBADMO CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC001301763802 1073875318 /nfs/dbraw/zinc/87/53/18/1073875318.db2.gz JYTLVBYVNUPWMY-SFHVURJKSA-N 1 1 448.572 -0.899 20 0 IBADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001301764167 1073875276 /nfs/dbraw/zinc/87/52/76/1073875276.db2.gz IRDDMZVONPWHMP-BPQIPLTHSA-N 1 1 433.557 -0.141 20 0 IBADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001301764186 1073875374 /nfs/dbraw/zinc/87/53/74/1073875374.db2.gz IRDDMZVONPWHMP-CGTJXYLNSA-N 1 1 433.557 -0.141 20 0 IBADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001301764189 1073875167 /nfs/dbraw/zinc/87/51/67/1073875167.db2.gz IRDDMZVONPWHMP-KBAYOESNSA-N 1 1 433.557 -0.141 20 0 IBADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001301764191 1073875053 /nfs/dbraw/zinc/87/50/53/1073875053.db2.gz IRDDMZVONPWHMP-RYQLBKOJSA-N 1 1 433.557 -0.141 20 0 IBADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CC(C)(C)O)C[C@@H]2C)CC1 ZINC001301765352 1073875467 /nfs/dbraw/zinc/87/54/67/1073875467.db2.gz MLAKGTSZYXFWJG-BHYGNILZSA-N 1 1 433.557 -0.011 20 0 IBADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CC(C)(C)O)C[C@H]2C)CC1 ZINC001301765357 1073875495 /nfs/dbraw/zinc/87/54/95/1073875495.db2.gz MLAKGTSZYXFWJG-DJIMGWMZSA-N 1 1 433.557 -0.011 20 0 IBADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CC(C)(C)O)C[C@H]2C)CC1 ZINC001301765359 1073875435 /nfs/dbraw/zinc/87/54/35/1073875435.db2.gz MLAKGTSZYXFWJG-HYVNUMGLSA-N 1 1 433.557 -0.011 20 0 IBADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CC(C)(C)O)C[C@@H]2C)CC1 ZINC001301765362 1073875513 /nfs/dbraw/zinc/87/55/13/1073875513.db2.gz MLAKGTSZYXFWJG-USXIJHARSA-N 1 1 433.557 -0.011 20 0 IBADMO CC(=O)N1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001301766351 1073875416 /nfs/dbraw/zinc/87/54/16/1073875416.db2.gz GJZSNMYCDILZKF-HNNXBMFYSA-N 1 1 429.529 -0.490 20 0 IBADMO CC(=O)N1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001301766352 1073875246 /nfs/dbraw/zinc/87/52/46/1073875246.db2.gz GJZSNMYCDILZKF-OAHLLOKOSA-N 1 1 429.529 -0.490 20 0 IBADMO CC(=O)N1CC[NH+](CCn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001301766396 1073875200 /nfs/dbraw/zinc/87/52/00/1073875200.db2.gz HJLLNMVOIDATSQ-HNNXBMFYSA-N 1 1 427.513 -0.434 20 0 IBADMO CC(=O)N1CC[NH+](CCn2c(-c3cnccn3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001301766397 1073875869 /nfs/dbraw/zinc/87/58/69/1073875869.db2.gz HJLLNMVOIDATSQ-OAHLLOKOSA-N 1 1 427.513 -0.434 20 0 IBADMO CC(=O)N1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001301767206 1073876266 /nfs/dbraw/zinc/87/62/66/1073876266.db2.gz NVIVRLBVDQLLOB-FQEVSTJZSA-N 1 1 429.529 -0.456 20 0 IBADMO CC(=O)N1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001301767212 1073876146 /nfs/dbraw/zinc/87/61/46/1073876146.db2.gz NVIVRLBVDQLLOB-HXUWFJFHSA-N 1 1 429.529 -0.456 20 0 IBADMO CC(=O)N1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001301767716 1073876209 /nfs/dbraw/zinc/87/62/09/1073876209.db2.gz WVFFGDLECMQRFD-INIZCTEOSA-N 1 1 429.529 -0.456 20 0 IBADMO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001301851276 1073878274 /nfs/dbraw/zinc/87/82/74/1073878274.db2.gz UCBXGLYJXJJOAW-DYESRHJHSA-N 1 1 433.557 -0.067 20 0 IBADMO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001301851277 1073878230 /nfs/dbraw/zinc/87/82/30/1073878230.db2.gz UCBXGLYJXJJOAW-LAUBAEHRSA-N 1 1 433.557 -0.067 20 0 IBADMO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001301851278 1073878242 /nfs/dbraw/zinc/87/82/42/1073878242.db2.gz UCBXGLYJXJJOAW-UTKZUKDTSA-N 1 1 433.557 -0.067 20 0 IBADMO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001301851279 1073878207 /nfs/dbraw/zinc/87/82/07/1073878207.db2.gz UCBXGLYJXJJOAW-UWJYYQICSA-N 1 1 433.557 -0.067 20 0 IBADMO COCCN1C[C@H](Cn2c(C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1=O ZINC001301859602 1073879168 /nfs/dbraw/zinc/87/91/68/1073879168.db2.gz DPBBJIYVWKRMPH-MSOLQXFVSA-N 1 1 433.557 -0.176 20 0 IBADMO COCCN1C[C@H](Cn2c(C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1=O ZINC001301859603 1073879327 /nfs/dbraw/zinc/87/93/27/1073879327.db2.gz DPBBJIYVWKRMPH-QZTJIDSGSA-N 1 1 433.557 -0.176 20 0 IBADMO COCCN1C[C@@H](Cn2c(C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1=O ZINC001301859604 1073879257 /nfs/dbraw/zinc/87/92/57/1073879257.db2.gz DPBBJIYVWKRMPH-ROUUACIJSA-N 1 1 433.557 -0.176 20 0 IBADMO COCCN1C[C@@H](Cn2c(C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1=O ZINC001301859605 1073879068 /nfs/dbraw/zinc/87/90/68/1073879068.db2.gz DPBBJIYVWKRMPH-ZWKOTPCHSA-N 1 1 433.557 -0.176 20 0 IBADMO COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2COCCO2)CC1 ZINC001301874227 1073880150 /nfs/dbraw/zinc/88/01/50/1073880150.db2.gz GYHZNQHFJUEIOS-HUUCEWRRSA-N 1 1 432.547 -0.928 20 0 IBADMO COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COCCO2)CC1 ZINC001301874228 1073880406 /nfs/dbraw/zinc/88/04/06/1073880406.db2.gz GYHZNQHFJUEIOS-LSDHHAIUSA-N 1 1 432.547 -0.928 20 0 IBADMO COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCCC2)CC1 ZINC001301874630 1073880364 /nfs/dbraw/zinc/88/03/64/1073880364.db2.gz KMXKCCPXUVLHBY-HNNXBMFYSA-N 1 1 430.575 -0.038 20 0 IBADMO COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCCC2)CC1 ZINC001301874637 1073880444 /nfs/dbraw/zinc/88/04/44/1073880444.db2.gz KMXKCCPXUVLHBY-OAHLLOKOSA-N 1 1 430.575 -0.038 20 0 IBADMO COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001301875277 1073880426 /nfs/dbraw/zinc/88/04/26/1073880426.db2.gz PWTONLUBCYAAKB-KBXCAEBGSA-N 1 1 443.574 -0.865 20 0 IBADMO COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001301875279 1073880334 /nfs/dbraw/zinc/88/03/34/1073880334.db2.gz PWTONLUBCYAAKB-KDOFPFPSSA-N 1 1 443.574 -0.865 20 0 IBADMO COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001301875281 1073880134 /nfs/dbraw/zinc/88/01/34/1073880134.db2.gz PWTONLUBCYAAKB-KSSFIOAISA-N 1 1 443.574 -0.865 20 0 IBADMO COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001301875283 1073880227 /nfs/dbraw/zinc/88/02/27/1073880227.db2.gz PWTONLUBCYAAKB-RDTXWAMCSA-N 1 1 443.574 -0.865 20 0 IBADMO COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COCCO2)C[C@@H]1C ZINC001301875497 1073880281 /nfs/dbraw/zinc/88/02/81/1073880281.db2.gz RCTARXQSXLZZGT-HRCADAONSA-N 1 1 446.574 -0.539 20 0 IBADMO COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2COCCO2)C[C@@H]1C ZINC001301875499 1073880109 /nfs/dbraw/zinc/88/01/09/1073880109.db2.gz RCTARXQSXLZZGT-JYJNAYRXSA-N 1 1 446.574 -0.539 20 0 IBADMO COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COCCO2)C[C@H]1C ZINC001301875500 1073880090 /nfs/dbraw/zinc/88/00/90/1073880090.db2.gz RCTARXQSXLZZGT-OWCLPIDISA-N 1 1 446.574 -0.539 20 0 IBADMO COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2COCCO2)C[C@H]1C ZINC001301875501 1073880194 /nfs/dbraw/zinc/88/01/94/1073880194.db2.gz RCTARXQSXLZZGT-PMPSAXMXSA-N 1 1 446.574 -0.539 20 0 IBADMO CC(=O)NC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+](C)C(C)C)CCO1 ZINC001301893098 1073881040 /nfs/dbraw/zinc/88/10/40/1073881040.db2.gz HLNNSBPROFCIDV-GDBMZVCRSA-N 1 1 445.590 -0.430 20 0 IBADMO CC(=O)NC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+](C)C(C)C)CCO1 ZINC001301893099 1073880774 /nfs/dbraw/zinc/88/07/74/1073880774.db2.gz HLNNSBPROFCIDV-GOEBONIOSA-N 1 1 445.590 -0.430 20 0 IBADMO CC(=O)NC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+](C)C(C)C)CCO1 ZINC001301893100 1073880840 /nfs/dbraw/zinc/88/08/40/1073880840.db2.gz HLNNSBPROFCIDV-HOCLYGCPSA-N 1 1 445.590 -0.430 20 0 IBADMO CC(=O)NC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+](C)C(C)C)CCO1 ZINC001301893101 1073880730 /nfs/dbraw/zinc/88/07/30/1073880730.db2.gz HLNNSBPROFCIDV-ZBFHGGJFSA-N 1 1 445.590 -0.430 20 0 IBADMO COCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001301899176 1073881888 /nfs/dbraw/zinc/88/18/88/1073881888.db2.gz QBDKQTOLDXLUQM-UHFFFAOYSA-N 1 1 425.497 -0.011 20 0 IBADMO CC(=O)NC[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCOCC2)CCO1 ZINC001301899466 1073881716 /nfs/dbraw/zinc/88/17/16/1073881716.db2.gz IMAVDBPRMACASI-KRWDZBQOSA-N 1 1 430.513 -0.201 20 0 IBADMO 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/nfs/dbraw/zinc/90/53/32/1073905332.db2.gz IXYUJFUWFOKJDY-KXBFYZLASA-N 1 1 442.586 -0.545 20 0 IBADMO CS(=O)(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)CC1 ZINC001302474862 1073908728 /nfs/dbraw/zinc/90/87/28/1073908728.db2.gz BYVAONWHQMFFJR-HNNXBMFYSA-N 1 1 446.599 -0.642 20 0 IBADMO CS(=O)(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCC2)CC1 ZINC001302474863 1073908670 /nfs/dbraw/zinc/90/86/70/1073908670.db2.gz BYVAONWHQMFFJR-OAHLLOKOSA-N 1 1 446.599 -0.642 20 0 IBADMO CS(=O)(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCOCC2)CC1 ZINC001302475179 1073908637 /nfs/dbraw/zinc/90/86/37/1073908637.db2.gz JZBSYYJZVYZRQP-KRWDZBQOSA-N 1 1 442.586 -0.024 20 0 IBADMO CS(=O)(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCOCC2)CC1 ZINC001302475180 1073908750 /nfs/dbraw/zinc/90/87/50/1073908750.db2.gz JZBSYYJZVYZRQP-QGZVFWFLSA-N 1 1 442.586 -0.024 20 0 IBADMO CS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302499169 1073913296 /nfs/dbraw/zinc/91/32/96/1073913296.db2.gz NBALKGLIMPRVHP-CVEARBPZSA-N 1 1 428.559 -0.368 20 0 IBADMO CS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302499169 1073913286 /nfs/dbraw/zinc/91/32/86/1073913286.db2.gz NBALKGLIMPRVHP-CVEARBPZSA-N 1 1 428.559 -0.368 20 0 IBADMO CS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001302499170 1073913207 /nfs/dbraw/zinc/91/32/07/1073913207.db2.gz NBALKGLIMPRVHP-HOTGVXAUSA-N 1 1 428.559 -0.368 20 0 IBADMO CS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001302499170 1073913200 /nfs/dbraw/zinc/91/32/00/1073913200.db2.gz NBALKGLIMPRVHP-HOTGVXAUSA-N 1 1 428.559 -0.368 20 0 IBADMO CS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302499171 1073913319 /nfs/dbraw/zinc/91/33/19/1073913319.db2.gz NBALKGLIMPRVHP-HZPDHXFCSA-N 1 1 428.559 -0.368 20 0 IBADMO CS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302499171 1073913310 /nfs/dbraw/zinc/91/33/10/1073913310.db2.gz NBALKGLIMPRVHP-HZPDHXFCSA-N 1 1 428.559 -0.368 20 0 IBADMO CS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001302499172 1073913365 /nfs/dbraw/zinc/91/33/65/1073913365.db2.gz NBALKGLIMPRVHP-JKSUJKDBSA-N 1 1 428.559 -0.368 20 0 IBADMO CS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001302499172 1073913354 /nfs/dbraw/zinc/91/33/54/1073913354.db2.gz NBALKGLIMPRVHP-JKSUJKDBSA-N 1 1 428.559 -0.368 20 0 IBADMO CN(CC(=O)NC[C@]1(CO)COCC[NH2+]1)S(=O)(=O)c1ccc(Br)cc1 ZINC001302503278 1073914481 /nfs/dbraw/zinc/91/44/81/1073914481.db2.gz GORLGRDTTVBZJH-HNNXBMFYSA-N 1 1 436.328 -0.463 20 0 IBADMO CN(CC(=O)NC[C@@]1(CO)COCC[NH2+]1)S(=O)(=O)c1ccc(Br)cc1 ZINC001302503285 1073914572 /nfs/dbraw/zinc/91/45/72/1073914572.db2.gz GORLGRDTTVBZJH-OAHLLOKOSA-N 1 1 436.328 -0.463 20 0 IBADMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@]3(CO)COCC[NH2+]3)c2)C[C@@H](C)O1 ZINC001302503306 1073914560 /nfs/dbraw/zinc/91/45/60/1073914560.db2.gz GPYAJVHWJDRWHI-CLCXKQKWSA-N 1 1 427.523 -0.435 20 0 IBADMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@]3(CO)COCC[NH2+]3)c2)C[C@H](C)O1 ZINC001302503308 1073914547 /nfs/dbraw/zinc/91/45/47/1073914547.db2.gz GPYAJVHWJDRWHI-KHYOSLBOSA-N 1 1 427.523 -0.435 20 0 IBADMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)c2)C[C@@H](C)O1 ZINC001302503309 1073914614 /nfs/dbraw/zinc/91/46/14/1073914614.db2.gz GPYAJVHWJDRWHI-SPYBWZPUSA-N 1 1 427.523 -0.435 20 0 IBADMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)c2)C[C@H](C)O1 ZINC001302503310 1073914626 /nfs/dbraw/zinc/91/46/26/1073914626.db2.gz GPYAJVHWJDRWHI-ZRGWGRIASA-N 1 1 427.523 -0.435 20 0 IBADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001302504118 1073914602 /nfs/dbraw/zinc/91/46/02/1073914602.db2.gz PLGMJTZTUUMACT-KRWDZBQOSA-N 1 1 433.552 -0.778 20 0 IBADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC001302504119 1073914526 /nfs/dbraw/zinc/91/45/26/1073914526.db2.gz PLGMJTZTUUMACT-QGZVFWFLSA-N 1 1 433.552 -0.778 20 0 IBADMO O=C(CNC(=O)Cn1ccc2ccc(Br)cc21)NC[C@@]1(CO)COCC[NH2+]1 ZINC001302504163 1073914490 /nfs/dbraw/zinc/91/44/90/1073914490.db2.gz QIKSYDLRCLXKFI-GOSISDBHSA-N 1 1 439.310 -0.013 20 0 IBADMO O=C(CNC(=O)Cn1ccc2ccc(Br)cc21)NC[C@]1(CO)COCC[NH2+]1 ZINC001302504164 1073914502 /nfs/dbraw/zinc/91/45/02/1073914502.db2.gz QIKSYDLRCLXKFI-SFHVURJKSA-N 1 1 439.310 -0.013 20 0 IBADMO CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001302504299 1073914638 /nfs/dbraw/zinc/91/46/38/1073914638.db2.gz QUZRGZWBVISCGR-CRAIPNDOSA-N 1 1 447.941 -0.660 20 0 IBADMO CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001302504301 1073914449 /nfs/dbraw/zinc/91/44/49/1073914449.db2.gz QUZRGZWBVISCGR-MAUKXSAKSA-N 1 1 447.941 -0.660 20 0 IBADMO CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001302504302 1073914591 /nfs/dbraw/zinc/91/45/91/1073914591.db2.gz QUZRGZWBVISCGR-QAPCUYQASA-N 1 1 447.941 -0.660 20 0 IBADMO CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001302504304 1073914514 /nfs/dbraw/zinc/91/45/14/1073914514.db2.gz QUZRGZWBVISCGR-YJBOKZPZSA-N 1 1 447.941 -0.660 20 0 IBADMO C[NH+]1CCN(C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)CC1 ZINC001302598231 1073916250 /nfs/dbraw/zinc/91/62/50/1073916250.db2.gz WREROFZNBYFCFW-UHFFFAOYSA-N 1 1 449.577 -0.341 20 0 IBADMO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001302698789 1073917425 /nfs/dbraw/zinc/91/74/25/1073917425.db2.gz NWWLJXSVAMLSNW-DLBZAZTESA-N 1 1 433.557 -0.095 20 0 IBADMO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001302698792 1073917484 /nfs/dbraw/zinc/91/74/84/1073917484.db2.gz NWWLJXSVAMLSNW-IAGOWNOFSA-N 1 1 433.557 -0.095 20 0 IBADMO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001302698795 1073917380 /nfs/dbraw/zinc/91/73/80/1073917380.db2.gz NWWLJXSVAMLSNW-IRXDYDNUSA-N 1 1 433.557 -0.095 20 0 IBADMO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001302698798 1073917438 /nfs/dbraw/zinc/91/74/38/1073917438.db2.gz NWWLJXSVAMLSNW-SJORKVTESA-N 1 1 433.557 -0.095 20 0 IBADMO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302698950 1073917503 /nfs/dbraw/zinc/91/75/03/1073917503.db2.gz BGEYVLNRQCDVSK-DLBZAZTESA-N 1 1 433.557 -0.215 20 0 IBADMO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302698951 1073917411 /nfs/dbraw/zinc/91/74/11/1073917411.db2.gz BGEYVLNRQCDVSK-IAGOWNOFSA-N 1 1 433.557 -0.215 20 0 IBADMO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302698952 1073917473 /nfs/dbraw/zinc/91/74/73/1073917473.db2.gz BGEYVLNRQCDVSK-IRXDYDNUSA-N 1 1 433.557 -0.215 20 0 IBADMO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302698953 1073917495 /nfs/dbraw/zinc/91/74/95/1073917495.db2.gz BGEYVLNRQCDVSK-SJORKVTESA-N 1 1 433.557 -0.215 20 0 IBADMO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[NH+]2CCOCC2)CCN1S(C)(=O)=O ZINC001302891777 1073920793 /nfs/dbraw/zinc/92/07/93/1073920793.db2.gz VLKGDYJWGRLHMB-DLBZAZTESA-N 1 1 442.586 -0.026 20 0 IBADMO C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCC[NH+]2CCOCC2)CCN1S(C)(=O)=O ZINC001302891778 1073920784 /nfs/dbraw/zinc/92/07/84/1073920784.db2.gz VLKGDYJWGRLHMB-IRXDYDNUSA-N 1 1 442.586 -0.026 20 0 IBADMO NC(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001303036684 1073924442 /nfs/dbraw/zinc/92/44/42/1073924442.db2.gz VCFVIEFGCWRCLK-DLBZAZTESA-N 1 1 433.557 -0.051 20 0 IBADMO NC(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001303036691 1073924272 /nfs/dbraw/zinc/92/42/72/1073924272.db2.gz VCFVIEFGCWRCLK-IAGOWNOFSA-N 1 1 433.557 -0.051 20 0 IBADMO NC(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001303036693 1073924304 /nfs/dbraw/zinc/92/43/04/1073924304.db2.gz VCFVIEFGCWRCLK-IRXDYDNUSA-N 1 1 433.557 -0.051 20 0 IBADMO NC(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001303036695 1073924373 /nfs/dbraw/zinc/92/43/73/1073924373.db2.gz VCFVIEFGCWRCLK-SJORKVTESA-N 1 1 433.557 -0.051 20 0 IBADMO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001303048906 1073924928 /nfs/dbraw/zinc/92/49/28/1073924928.db2.gz ACMQCLBNBFVDAR-CYBMUJFWSA-N 1 1 444.330 -0.376 20 0 IBADMO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001303048907 1073925042 /nfs/dbraw/zinc/92/50/42/1073925042.db2.gz ACMQCLBNBFVDAR-ZDUSSCGKSA-N 1 1 444.330 -0.376 20 0 IBADMO NS(=O)(=O)c1nc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)n2ccccc12 ZINC001303051536 1073924880 /nfs/dbraw/zinc/92/48/80/1073924880.db2.gz FFEKQAADIQQODV-HNNXBMFYSA-N 1 1 436.538 -0.492 20 0 IBADMO NS(=O)(=O)c1nc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)n2ccccc12 ZINC001303051537 1073925177 /nfs/dbraw/zinc/92/51/77/1073925177.db2.gz FFEKQAADIQQODV-OAHLLOKOSA-N 1 1 436.538 -0.492 20 0 IBADMO 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C[N@@H+]1CC[C@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001314929162 1074080479 /nfs/dbraw/zinc/08/04/79/1074080479.db2.gz VQSDUAGVNPVUOH-HNAYVOBHSA-N 1 1 440.570 -0.520 20 0 IBADMO C[N@H+]1CC[C@@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001314929163 1074080356 /nfs/dbraw/zinc/08/03/56/1074080356.db2.gz VQSDUAGVNPVUOH-KXBFYZLASA-N 1 1 440.570 -0.520 20 0 IBADMO C[N@@H+]1CC[C@@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001314929163 1074080347 /nfs/dbraw/zinc/08/03/47/1074080347.db2.gz VQSDUAGVNPVUOH-KXBFYZLASA-N 1 1 440.570 -0.520 20 0 IBADMO C[N@H+]1CC[C@@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCNC(=O)CC2)C1 ZINC001314929342 1074080223 /nfs/dbraw/zinc/08/02/23/1074080223.db2.gz WGZXYUMLJIACSD-IBGZPJMESA-N 1 1 433.538 -0.338 20 0 IBADMO C[N@H+]1CC[C@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCNC(=O)CC2)C1 ZINC001314929343 1074080274 /nfs/dbraw/zinc/08/02/74/1074080274.db2.gz WGZXYUMLJIACSD-LJQANCHMSA-N 1 1 433.538 -0.338 20 0 IBADMO 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CNC(=O)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001315013652 1074087600 /nfs/dbraw/zinc/08/76/00/1074087600.db2.gz QVXZVLXMCLVHOA-QZTJIDSGSA-N 1 1 446.556 -0.013 20 0 IBADMO CNC(=O)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001315013653 1074087671 /nfs/dbraw/zinc/08/76/71/1074087671.db2.gz QVXZVLXMCLVHOA-ROUUACIJSA-N 1 1 446.556 -0.013 20 0 IBADMO CNC(=O)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001315013654 1074087554 /nfs/dbraw/zinc/08/75/54/1074087554.db2.gz QVXZVLXMCLVHOA-ZWKOTPCHSA-N 1 1 446.556 -0.013 20 0 IBADMO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001315019399 1074088338 /nfs/dbraw/zinc/08/83/38/1074088338.db2.gz XTWSBIWPVLFMMG-AVRDEDQJSA-N 1 1 444.536 -0.105 20 0 IBADMO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001315019400 1074088461 /nfs/dbraw/zinc/08/84/61/1074088461.db2.gz XTWSBIWPVLFMMG-GCJKJVERSA-N 1 1 444.536 -0.105 20 0 IBADMO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001315019401 1074088513 /nfs/dbraw/zinc/08/85/13/1074088513.db2.gz XTWSBIWPVLFMMG-PGRDOPGGSA-N 1 1 444.536 -0.105 20 0 IBADMO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001315019402 1074088445 /nfs/dbraw/zinc/08/84/45/1074088445.db2.gz XTWSBIWPVLFMMG-XMSQKQJNSA-N 1 1 444.536 -0.105 20 0 IBADMO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001315019503 1074088413 /nfs/dbraw/zinc/08/84/13/1074088413.db2.gz LJLUMNUQIBZBHR-INIZCTEOSA-N 1 1 449.556 -0.538 20 0 IBADMO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001315019503 1074088404 /nfs/dbraw/zinc/08/84/04/1074088404.db2.gz LJLUMNUQIBZBHR-INIZCTEOSA-N 1 1 449.556 -0.538 20 0 IBADMO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001315019504 1074088307 /nfs/dbraw/zinc/08/83/07/1074088307.db2.gz LJLUMNUQIBZBHR-MRXNPFEDSA-N 1 1 449.556 -0.538 20 0 IBADMO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001315019504 1074088299 /nfs/dbraw/zinc/08/82/99/1074088299.db2.gz LJLUMNUQIBZBHR-MRXNPFEDSA-N 1 1 449.556 -0.538 20 0 IBADMO CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001315042236 1074089852 /nfs/dbraw/zinc/08/98/52/1074089852.db2.gz OQALYWASSTULGY-UHFFFAOYSA-N 1 1 448.572 -0.313 20 0 IBADMO CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001315042236 1074089845 /nfs/dbraw/zinc/08/98/45/1074089845.db2.gz OQALYWASSTULGY-UHFFFAOYSA-N 1 1 448.572 -0.313 20 0 IBADMO CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001315042465 1074089960 /nfs/dbraw/zinc/08/99/60/1074089960.db2.gz PGUPOMMEEKPOIN-INIZCTEOSA-N 1 1 446.556 -0.607 20 0 IBADMO CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001315042466 1074090046 /nfs/dbraw/zinc/09/00/46/1074090046.db2.gz PGUPOMMEEKPOIN-MRXNPFEDSA-N 1 1 446.556 -0.607 20 0 IBADMO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001315046204 1074090078 /nfs/dbraw/zinc/09/00/78/1074090078.db2.gz YFDCPLYCUSYEDT-KBXCAEBGSA-N 1 1 443.574 -0.675 20 0 IBADMO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001315046211 1074089999 /nfs/dbraw/zinc/08/99/99/1074089999.db2.gz YFDCPLYCUSYEDT-KDOFPFPSSA-N 1 1 443.574 -0.675 20 0 IBADMO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001315046213 1074089916 /nfs/dbraw/zinc/08/99/16/1074089916.db2.gz YFDCPLYCUSYEDT-KSSFIOAISA-N 1 1 443.574 -0.675 20 0 IBADMO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001315046216 1074090322 /nfs/dbraw/zinc/09/03/22/1074090322.db2.gz YFDCPLYCUSYEDT-RDTXWAMCSA-N 1 1 443.574 -0.675 20 0 IBADMO CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001315050716 1074091119 /nfs/dbraw/zinc/09/11/19/1074091119.db2.gz VXNGBRPFSLAHOO-CGTJXYLNSA-N 1 1 433.557 -0.093 20 0 IBADMO CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001315050717 1074091203 /nfs/dbraw/zinc/09/12/03/1074091203.db2.gz VXNGBRPFSLAHOO-JQHSSLGASA-N 1 1 433.557 -0.093 20 0 IBADMO CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001315050718 1074091058 /nfs/dbraw/zinc/09/10/58/1074091058.db2.gz VXNGBRPFSLAHOO-KBAYOESNSA-N 1 1 433.557 -0.093 20 0 IBADMO CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001315050719 1074091228 /nfs/dbraw/zinc/09/12/28/1074091228.db2.gz VXNGBRPFSLAHOO-NXHRZFHOSA-N 1 1 433.557 -0.093 20 0 IBADMO CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+](C)CCOC)CC1 ZINC001315051906 1074091086 /nfs/dbraw/zinc/09/10/86/1074091086.db2.gz ICEIGGWTALWCPX-UHFFFAOYSA-N 1 1 436.561 -0.056 20 0 IBADMO CNC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001315054649 1074091152 /nfs/dbraw/zinc/09/11/52/1074091152.db2.gz INBQVBNFRUERBU-UHFFFAOYSA-N 1 1 443.556 -0.091 20 0 IBADMO CNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001315057373 1074091620 /nfs/dbraw/zinc/09/16/20/1074091620.db2.gz ALWNQGXCZTULMQ-HNNXBMFYSA-N 1 1 427.575 -0.018 20 0 IBADMO CNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001315057374 1074092014 /nfs/dbraw/zinc/09/20/14/1074092014.db2.gz ALWNQGXCZTULMQ-OAHLLOKOSA-N 1 1 427.575 -0.018 20 0 IBADMO CNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001315060066 1074092425 /nfs/dbraw/zinc/09/24/25/1074092425.db2.gz UJXBOMSTRWLQKE-UHFFFAOYSA-N 1 1 448.572 -0.027 20 0 IBADMO CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001315063343 1074092809 /nfs/dbraw/zinc/09/28/09/1074092809.db2.gz DSGGQIKTLDSWAI-GOSISDBHSA-N 1 1 443.574 -0.734 20 0 IBADMO CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001315063344 1074092788 /nfs/dbraw/zinc/09/27/88/1074092788.db2.gz DSGGQIKTLDSWAI-SFHVURJKSA-N 1 1 443.574 -0.734 20 0 IBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001315065478 1074093078 /nfs/dbraw/zinc/09/30/78/1074093078.db2.gz SFMQJQFTIBYILA-CABCVRRESA-N 1 1 425.559 -0.264 20 0 IBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001315065479 1074093180 /nfs/dbraw/zinc/09/31/80/1074093180.db2.gz SFMQJQFTIBYILA-GJZGRUSLSA-N 1 1 425.559 -0.264 20 0 IBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001315065480 1074093028 /nfs/dbraw/zinc/09/30/28/1074093028.db2.gz SFMQJQFTIBYILA-HUUCEWRRSA-N 1 1 425.559 -0.264 20 0 IBADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001315065481 1074093238 /nfs/dbraw/zinc/09/32/38/1074093238.db2.gz SFMQJQFTIBYILA-LSDHHAIUSA-N 1 1 425.559 -0.264 20 0 IBADMO CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001315067657 1074093900 /nfs/dbraw/zinc/09/39/00/1074093900.db2.gz UCDWWPYEXBJHHE-CVEARBPZSA-N 1 1 428.559 -0.368 20 0 IBADMO CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001315067658 1074093969 /nfs/dbraw/zinc/09/39/69/1074093969.db2.gz UCDWWPYEXBJHHE-HOTGVXAUSA-N 1 1 428.559 -0.368 20 0 IBADMO CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001315067659 1074093956 /nfs/dbraw/zinc/09/39/56/1074093956.db2.gz UCDWWPYEXBJHHE-HZPDHXFCSA-N 1 1 428.559 -0.368 20 0 IBADMO CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001315067660 1074093796 /nfs/dbraw/zinc/09/37/96/1074093796.db2.gz UCDWWPYEXBJHHE-JKSUJKDBSA-N 1 1 428.559 -0.368 20 0 IBADMO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315069601 1074094462 /nfs/dbraw/zinc/09/44/62/1074094462.db2.gz DSLNFDYNQQTDHV-GASCZTMLSA-N 1 1 438.558 -0.170 20 0 IBADMO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315069601 1074094456 /nfs/dbraw/zinc/09/44/56/1074094456.db2.gz DSLNFDYNQQTDHV-GASCZTMLSA-N 1 1 438.558 -0.170 20 0 IBADMO CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001315073226 1074096039 /nfs/dbraw/zinc/09/60/39/1074096039.db2.gz TXSPNHHVBAYCIC-HNNXBMFYSA-N 1 1 441.583 -0.296 20 0 IBADMO CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001315073226 1074096032 /nfs/dbraw/zinc/09/60/32/1074096032.db2.gz TXSPNHHVBAYCIC-HNNXBMFYSA-N 1 1 441.583 -0.296 20 0 IBADMO CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001315073229 1074095979 /nfs/dbraw/zinc/09/59/79/1074095979.db2.gz TXSPNHHVBAYCIC-OAHLLOKOSA-N 1 1 441.583 -0.296 20 0 IBADMO CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001315073229 1074095971 /nfs/dbraw/zinc/09/59/71/1074095971.db2.gz TXSPNHHVBAYCIC-OAHLLOKOSA-N 1 1 441.583 -0.296 20 0 IBADMO CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001315073262 1074095944 /nfs/dbraw/zinc/09/59/44/1074095944.db2.gz UEFVTFSCTPOLLJ-GOSISDBHSA-N 1 1 449.581 -0.028 20 0 IBADMO CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001315073263 1074095995 /nfs/dbraw/zinc/09/59/95/1074095995.db2.gz UEFVTFSCTPOLLJ-SFHVURJKSA-N 1 1 449.581 -0.028 20 0 IBADMO COC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001315079333 1074096350 /nfs/dbraw/zinc/09/63/50/1074096350.db2.gz RZMODUVJQYTWCW-CLCXKQKWSA-N 1 1 441.554 -0.364 20 0 IBADMO COC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001315079333 1074096341 /nfs/dbraw/zinc/09/63/41/1074096341.db2.gz RZMODUVJQYTWCW-CLCXKQKWSA-N 1 1 441.554 -0.364 20 0 IBADMO COC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001315079334 1074096416 /nfs/dbraw/zinc/09/64/16/1074096416.db2.gz RZMODUVJQYTWCW-SPYBWZPUSA-N 1 1 441.554 -0.364 20 0 IBADMO COC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001315079334 1074096408 /nfs/dbraw/zinc/09/64/08/1074096408.db2.gz RZMODUVJQYTWCW-SPYBWZPUSA-N 1 1 441.554 -0.364 20 0 IBADMO COC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001315079335 1074096453 /nfs/dbraw/zinc/09/64/53/1074096453.db2.gz RZMODUVJQYTWCW-VCBZYWHSSA-N 1 1 441.554 -0.364 20 0 IBADMO COC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001315079335 1074096446 /nfs/dbraw/zinc/09/64/46/1074096446.db2.gz RZMODUVJQYTWCW-VCBZYWHSSA-N 1 1 441.554 -0.364 20 0 IBADMO COC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001315079336 1074096505 /nfs/dbraw/zinc/09/65/05/1074096505.db2.gz RZMODUVJQYTWCW-ZRGWGRIASA-N 1 1 441.554 -0.364 20 0 IBADMO COC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001315079336 1074096499 /nfs/dbraw/zinc/09/64/99/1074096499.db2.gz RZMODUVJQYTWCW-ZRGWGRIASA-N 1 1 441.554 -0.364 20 0 IBADMO COC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001315123374 1074097919 /nfs/dbraw/zinc/09/79/19/1074097919.db2.gz HGYDWGPZZQFHIF-KBXCAEBGSA-N 1 1 442.542 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C[C@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC[C@H]1N1CC[NH+](C)CC1 ZINC001320339766 1074212222 /nfs/dbraw/zinc/21/22/22/1074212222.db2.gz DGAVRBMMKXWTQZ-XJKSGUPXSA-N 1 1 436.538 -0.319 20 0 IBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001320342161 1074212159 /nfs/dbraw/zinc/21/21/59/1074212159.db2.gz NQJWQKZSPVTFMF-INIZCTEOSA-N 1 1 441.602 -0.102 20 0 IBADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001320342162 1074212320 /nfs/dbraw/zinc/21/23/20/1074212320.db2.gz NQJWQKZSPVTFMF-MRXNPFEDSA-N 1 1 441.602 -0.102 20 0 IBADMO C[NH+]1CCN(CCC(C)(C)NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001320366563 1074212346 /nfs/dbraw/zinc/21/23/46/1074212346.db2.gz BOUHBYGFBWDYFN-HNNXBMFYSA-N 1 1 427.571 -0.316 20 0 IBADMO C[NH+]1CCN(CCC(C)(C)NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001320366565 1074212265 /nfs/dbraw/zinc/21/22/65/1074212265.db2.gz BOUHBYGFBWDYFN-OAHLLOKOSA-N 1 1 427.571 -0.316 20 0 IBADMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)Cc1ccccc1 ZINC001320385513 1074212739 /nfs/dbraw/zinc/21/27/39/1074212739.db2.gz HQNUUKPKNHOWTM-KRWDZBQOSA-N 1 1 429.564 -0.221 20 0 IBADMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)Cc1ccccc1 ZINC001320385513 1074212735 /nfs/dbraw/zinc/21/27/35/1074212735.db2.gz HQNUUKPKNHOWTM-KRWDZBQOSA-N 1 1 429.564 -0.221 20 0 IBADMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)Cc1ccccc1 ZINC001320385516 1074212689 /nfs/dbraw/zinc/21/26/89/1074212689.db2.gz HQNUUKPKNHOWTM-QGZVFWFLSA-N 1 1 429.564 -0.221 20 0 IBADMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)Cc1ccccc1 ZINC001320385516 1074212682 /nfs/dbraw/zinc/21/26/82/1074212682.db2.gz HQNUUKPKNHOWTM-QGZVFWFLSA-N 1 1 429.564 -0.221 20 0 IBADMO C[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)CC1 ZINC001320417180 1074213160 /nfs/dbraw/zinc/21/31/60/1074213160.db2.gz JJWHJHVVDDCFMS-UHFFFAOYSA-N 1 1 430.571 -0.054 20 0 IBADMO 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C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC001320654197 1074216744 /nfs/dbraw/zinc/21/67/44/1074216744.db2.gz WAZLUVFOKXPDIA-ZDUSSCGKSA-N 1 1 425.511 -0.616 20 0 IBADMO CNC(=O)[C@@H](NC(=O)C[NH2+]C1(CC(=O)OC)CCS(=O)(=O)CC1)c1ccccc1 ZINC001320713759 1074217682 /nfs/dbraw/zinc/21/76/82/1074217682.db2.gz ZBQQKWDLVGAKJT-KRWDZBQOSA-N 1 1 425.507 -0.310 20 0 IBADMO CNC(=O)[C@H](NC(=O)C[NH2+]C1(CC(=O)OC)CCS(=O)(=O)CC1)c1ccccc1 ZINC001320713761 1074217643 /nfs/dbraw/zinc/21/76/43/1074217643.db2.gz ZBQQKWDLVGAKJT-QGZVFWFLSA-N 1 1 425.507 -0.310 20 0 IBADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)C2 ZINC001320756019 1074218893 /nfs/dbraw/zinc/21/88/93/1074218893.db2.gz UVNWIAJKYNMEGL-KRWDZBQOSA-N 1 1 427.509 -0.075 20 0 IBADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)C2 ZINC001320756019 1074218888 /nfs/dbraw/zinc/21/88/88/1074218888.db2.gz UVNWIAJKYNMEGL-KRWDZBQOSA-N 1 1 427.509 -0.075 20 0 IBADMO 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CN(C(=O)c1sccc1S(N)(=O)=O)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001443396094 1074432910 /nfs/dbraw/zinc/43/29/10/1074432910.db2.gz YLMYQQWGMOBRQL-UHFFFAOYSA-N 1 1 443.595 -0.294 20 0 IBADMO C[NH+]1CCN([C@@H](CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)c2cccs2)CC1 ZINC001443425767 1074432894 /nfs/dbraw/zinc/43/28/94/1074432894.db2.gz BLHBGDFQQGNDAN-AWEZNQCLSA-N 1 1 434.522 -0.396 20 0 IBADMO C[NH+]1CCN([C@H](CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)c2cccs2)CC1 ZINC001443425771 1074433424 /nfs/dbraw/zinc/43/34/24/1074433424.db2.gz BLHBGDFQQGNDAN-CQSZACIVSA-N 1 1 434.522 -0.396 20 0 IBADMO C[NH+]1CCN(C(=O)CCNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 ZINC001443478104 1074433469 /nfs/dbraw/zinc/43/34/69/1074433469.db2.gz MRUYSABOMFDSRV-HNNXBMFYSA-N 1 1 446.570 -0.309 20 0 IBADMO C[NH+]1CCN(C(=O)CCNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 ZINC001443478109 1074433438 /nfs/dbraw/zinc/43/34/38/1074433438.db2.gz MRUYSABOMFDSRV-OAHLLOKOSA-N 1 1 446.570 -0.309 20 0 IBADMO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC001443480255 1074433384 /nfs/dbraw/zinc/43/33/84/1074433384.db2.gz QJMOCZLSRKLRAD-UHFFFAOYSA-N 1 1 439.538 -0.406 20 0 IBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3)CC2)CC1 ZINC001443491008 1074433459 /nfs/dbraw/zinc/43/34/59/1074433459.db2.gz AORFTHKYKFDQRU-NRFANRHFSA-N 1 1 428.493 -0.134 20 0 IBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)CC2)CC1 ZINC001443491011 1074434113 /nfs/dbraw/zinc/43/41/13/1074434113.db2.gz AORFTHKYKFDQRU-OAQYLSRUSA-N 1 1 428.493 -0.134 20 0 IBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(N4NC(=O)CCC4=O)cc3)CC2)CC1 ZINC001443494051 1074434071 /nfs/dbraw/zinc/43/40/71/1074434071.db2.gz KCGWZRHOEPEYCB-UHFFFAOYSA-N 1 1 428.493 -0.030 20 0 IBADMO CNC(=O)COc1ccc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc1OC ZINC001443494512 1074434048 /nfs/dbraw/zinc/43/40/48/1074434048.db2.gz LCEHNOJENXJVGJ-UHFFFAOYSA-N 1 1 433.509 -0.055 20 0 IBADMO 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COCCn1cc(N2C[C@@H](C(=O)N3CCN(C(=O)N4CC[NH+](C)CC4)CC3)CC2=O)cn1 ZINC001443499280 1074434129 /nfs/dbraw/zinc/43/41/29/1074434129.db2.gz YAWVZXKDDSOGAR-KRWDZBQOSA-N 1 1 447.540 -0.606 20 0 IBADMO COCCn1cc(N2C[C@H](C(=O)N3CCN(C(=O)N4CC[NH+](C)CC4)CC3)CC2=O)cn1 ZINC001443499282 1074434136 /nfs/dbraw/zinc/43/41/36/1074434136.db2.gz YAWVZXKDDSOGAR-QGZVFWFLSA-N 1 1 447.540 -0.606 20 0 IBADMO CCOCC[NH+]1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001443619141 1074435189 /nfs/dbraw/zinc/43/51/89/1074435189.db2.gz PYSBMDFYPYYHCR-UHFFFAOYSA-N 1 1 433.552 -0.451 20 0 IBADMO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001443826955 1074435943 /nfs/dbraw/zinc/43/59/43/1074435943.db2.gz VUPPOTINMUZPJG-CRAIPNDOSA-N 1 1 435.500 -0.678 20 0 IBADMO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001443826957 1074435962 /nfs/dbraw/zinc/43/59/62/1074435962.db2.gz VUPPOTINMUZPJG-MAUKXSAKSA-N 1 1 435.500 -0.678 20 0 IBADMO 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O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001444585619 1074437013 /nfs/dbraw/zinc/43/70/13/1074437013.db2.gz VNVZKTVFNCTTEV-UHFFFAOYSA-N 1 1 449.552 -0.168 20 0 IBADMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)C[N@H+]2C1 ZINC001444645859 1074439622 /nfs/dbraw/zinc/43/96/22/1074439622.db2.gz WAWQNOZGNVCTPT-BDXSIMOUSA-N 1 1 426.583 -0.446 20 0 IBADMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)C[N@H+]2C1 ZINC001444645864 1074439659 /nfs/dbraw/zinc/43/96/59/1074439659.db2.gz WAWQNOZGNVCTPT-OWSLCNJRSA-N 1 1 426.583 -0.446 20 0 IBADMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)C[N@H+]2C1 ZINC001444645868 1074439467 /nfs/dbraw/zinc/43/94/67/1074439467.db2.gz WAWQNOZGNVCTPT-TVFCKZIOSA-N 1 1 426.583 -0.446 20 0 IBADMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)C[N@H+]2C1 ZINC001444645872 1074439639 /nfs/dbraw/zinc/43/96/39/1074439639.db2.gz WAWQNOZGNVCTPT-XDNAFOTISA-N 1 1 426.583 -0.446 20 0 IBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H](C)NC(=O)Cn3cnnn3)cc2)CC1 ZINC001445224513 1074441047 /nfs/dbraw/zinc/44/10/47/1074441047.db2.gz FBDXFQOGUUPNDA-HNNXBMFYSA-N 1 1 428.497 -0.477 20 0 IBADMO C[NH+](C)CCN(C(=O)[C@@H](CO)NC(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001445291473 1074440885 /nfs/dbraw/zinc/44/08/85/1074440885.db2.gz ZDOZPTZHRPQELD-DLBZAZTESA-N 1 1 427.523 -0.149 20 0 IBADMO C[NH+](C)CCN(C(=O)[C@@H](CO)NC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001445291475 1074440861 /nfs/dbraw/zinc/44/08/61/1074440861.db2.gz ZDOZPTZHRPQELD-IAGOWNOFSA-N 1 1 427.523 -0.149 20 0 IBADMO C[NH+](C)CCN(C(=O)[C@H](CO)NC(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001445291480 1074440812 /nfs/dbraw/zinc/44/08/12/1074440812.db2.gz ZDOZPTZHRPQELD-IRXDYDNUSA-N 1 1 427.523 -0.149 20 0 IBADMO C[NH+](C)CCN(C(=O)[C@H](CO)NC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001445291482 1074440844 /nfs/dbraw/zinc/44/08/44/1074440844.db2.gz ZDOZPTZHRPQELD-SJORKVTESA-N 1 1 427.523 -0.149 20 0 IBADMO C[NH+](C)CCN(C(=O)CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001445291651 1074440956 /nfs/dbraw/zinc/44/09/56/1074440956.db2.gz ZUGXPPCKTQDUGV-AWEZNQCLSA-N 1 1 433.552 -0.320 20 0 IBADMO C[NH+](C)CCN(C(=O)CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001445291653 1074440990 /nfs/dbraw/zinc/44/09/90/1074440990.db2.gz ZUGXPPCKTQDUGV-CQSZACIVSA-N 1 1 433.552 -0.320 20 0 IBADMO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001446553639 1074442567 /nfs/dbraw/zinc/44/25/67/1074442567.db2.gz JWRMMJREGUPRHL-DZKIICNBSA-N 1 1 444.579 -0.459 20 0 IBADMO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001446553650 1074442776 /nfs/dbraw/zinc/44/27/76/1074442776.db2.gz JWRMMJREGUPRHL-LZWOXQAQSA-N 1 1 444.579 -0.459 20 0 IBADMO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001446553655 1074442760 /nfs/dbraw/zinc/44/27/60/1074442760.db2.gz JWRMMJREGUPRHL-OFQRWUPVSA-N 1 1 444.579 -0.459 20 0 IBADMO 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