smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCn1c(N)c(C(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]c1=O ZINC000110990862 1072149731 /nfs/dbraw/zinc/14/97/31/1072149731.db2.gz VLGYLKJHDQLQOF-GASCZTMLSA-N 2 2 437.541 -0.231 20 0 IBADLP Cn1cnc2c1c(=O)n(CC(=O)NCC1([NH+]3CCCCC3)CC[NH+](C)CC1)c(=O)n2C ZINC000303963460 1072590803 /nfs/dbraw/zinc/59/08/03/1072590803.db2.gz OSDPKRSITJKZBM-UHFFFAOYSA-N 2 2 431.541 -0.500 20 0 IBADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[C@@H](C(=O)NCc3c[nH+]c(N(C)C)n3C)O2)n1C ZINC000426824925 1072178050 /nfs/dbraw/zinc/17/80/50/1072178050.db2.gz ORRWPURYNMAZGF-HOTGVXAUSA-N 2 2 432.529 -0.234 20 0 IBADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC[C@H](C(=O)NCc3c[nH+]c(N(C)C)n3C)O2)n1C ZINC000426824934 1072178222 /nfs/dbraw/zinc/17/82/22/1072178222.db2.gz ORRWPURYNMAZGF-HZPDHXFCSA-N 2 2 432.529 -0.234 20 0 IBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)CC[NH+]2CCOCC2)O1 ZINC000426828992 1072178117 /nfs/dbraw/zinc/17/81/17/1072178117.db2.gz NIHLUYYOEZQKTC-JVSBHGNQSA-N 2 2 440.585 -0.012 20 0 IBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](C)CC[NH+]2CCOCC2)O1 ZINC000426828993 1072178145 /nfs/dbraw/zinc/17/81/45/1072178145.db2.gz NIHLUYYOEZQKTC-WTGUMLROSA-N 2 2 440.585 -0.012 20 0 IBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H](C)CC[NH+]2CCOCC2)O1 ZINC000426828994 1072178106 /nfs/dbraw/zinc/17/81/06/1072178106.db2.gz NIHLUYYOEZQKTC-YRPNKDGESA-N 2 2 440.585 -0.012 20 0 IBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@H](C)CC[NH+]2CCOCC2)O1 ZINC000426828995 1072178173 /nfs/dbraw/zinc/17/81/73/1072178173.db2.gz NIHLUYYOEZQKTC-ZRNYENFQSA-N 2 2 440.585 -0.012 20 0 IBADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2)CC1 ZINC000426996946 1072189223 /nfs/dbraw/zinc/18/92/23/1072189223.db2.gz GOTXASDIGUBKKB-UHFFFAOYSA-N 2 2 445.568 0.245 20 0 IBADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2)CC1 ZINC000426996946 1072189220 /nfs/dbraw/zinc/18/92/20/1072189220.db2.gz GOTXASDIGUBKKB-UHFFFAOYSA-N 2 2 445.568 0.245 20 0 IBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000426997431 1073335016 /nfs/dbraw/zinc/33/50/16/1073335016.db2.gz KRSVSBOUZQIJPW-UHFFFAOYSA-N 2 2 447.584 0.491 20 0 IBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000426997431 1073335010 /nfs/dbraw/zinc/33/50/10/1073335010.db2.gz KRSVSBOUZQIJPW-UHFFFAOYSA-N 2 2 447.584 0.491 20 0 IBADLP CN(C(=O)CNC(=O)c1cccc(O)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000426999995 1072189871 /nfs/dbraw/zinc/18/98/71/1072189871.db2.gz NGKLYEUHODCTKQ-UHFFFAOYSA-N 2 2 431.537 -0.181 20 0 IBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[NH+](C[C@@H](O)CC)CC3)O2)CC1 ZINC000427010065 1072188479 /nfs/dbraw/zinc/18/84/79/1072188479.db2.gz UVCCABWFLVTXJM-FGYAAKKASA-N 2 2 440.585 -0.636 20 0 IBADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[NH+](C[C@@H](O)CC)CC3)O2)CC1 ZINC000427010066 1072188567 /nfs/dbraw/zinc/18/85/67/1072188567.db2.gz UVCCABWFLVTXJM-LWYYNNOASA-N 2 2 440.585 -0.636 20 0 IBADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[NH+](C[C@@H](O)CC)CC3)O2)CC1 ZINC000427010067 1072188524 /nfs/dbraw/zinc/18/85/24/1072188524.db2.gz UVCCABWFLVTXJM-MUGJNUQGSA-N 2 2 440.585 -0.636 20 0 IBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[NH+](C[C@@H](O)CC)CC3)O2)CC1 ZINC000427010068 1072188602 /nfs/dbraw/zinc/18/86/02/1072188602.db2.gz UVCCABWFLVTXJM-YRPNKDGESA-N 2 2 440.585 -0.636 20 0 IBADLP CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[NH+](CC(C)(C)O)CC3)O2)CC1 ZINC000427017072 1072189067 /nfs/dbraw/zinc/18/90/67/1072189067.db2.gz UGSJARXIGGPPRE-HDICACEKSA-N 2 2 440.585 -0.636 20 0 IBADLP CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)N3CC[NH+](CC(C)(C)O)CC3)O2)CC1 ZINC000427017073 1072189158 /nfs/dbraw/zinc/18/91/58/1072189158.db2.gz UGSJARXIGGPPRE-QZTJIDSGSA-N 2 2 440.585 -0.636 20 0 IBADLP CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[NH+](CC(C)(C)O)CC3)O2)CC1 ZINC000427017074 1072189271 /nfs/dbraw/zinc/18/92/71/1072189271.db2.gz UGSJARXIGGPPRE-ROUUACIJSA-N 2 2 440.585 -0.636 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000427027020 1072189839 /nfs/dbraw/zinc/18/98/39/1072189839.db2.gz GXDLAIAOZLRSLQ-INIZCTEOSA-N 2 2 431.537 -0.153 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000427038626 1072193043 /nfs/dbraw/zinc/19/30/43/1072193043.db2.gz OWDPZASSNKINAY-KRWDZBQOSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000427038626 1072193039 /nfs/dbraw/zinc/19/30/39/1072193039.db2.gz OWDPZASSNKINAY-KRWDZBQOSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)CC2(C(=O)N3CC[NH+](C[C@H](C)O)CC3)CCOCC2)CC1 ZINC000427193922 1072199069 /nfs/dbraw/zinc/19/90/69/1072199069.db2.gz WNWFCOXBAPIYKM-OALUTQOASA-N 2 2 440.585 -0.777 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[NH+](C[C@H](C)O)CC2)c1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000427198061 1071154318 /nfs/dbraw/zinc/15/43/18/1071154318.db2.gz SKSSYXFPEXDIIZ-OALUTQOASA-N 2 2 449.596 -0.460 20 0 IBADLP C[C@@H]1CN(C(=O)CC2(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)CCOCC2)CC[NH+]1CCO ZINC000427211146 1072201367 /nfs/dbraw/zinc/20/13/67/1072201367.db2.gz VHWMZJCPQGECQH-MOPGFXCFSA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@@H]1CN(C(=O)CC2(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)CCOCC2)CC[NH+]1CCO ZINC000427211146 1072201361 /nfs/dbraw/zinc/20/13/61/1072201361.db2.gz VHWMZJCPQGECQH-MOPGFXCFSA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@@H]1CN(C(=O)CC2(C(=O)N3CC[NH+](CCO)[C@@H](C)C3)CCOCC2)CC[N@H+]1CCO ZINC000427211146 1072201354 /nfs/dbraw/zinc/20/13/54/1072201354.db2.gz VHWMZJCPQGECQH-MOPGFXCFSA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@@H]1CN(C(=O)CC2(C(=O)N3CC[NH+](CCO)[C@@H](C)C3)CCOCC2)CC[N@@H+]1CCO ZINC000427211146 1072201350 /nfs/dbraw/zinc/20/13/50/1072201350.db2.gz VHWMZJCPQGECQH-MOPGFXCFSA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@H]1CN(C(=O)CC2(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)CCOCC2)CC[NH+]1CCO ZINC000427211148 1072201295 /nfs/dbraw/zinc/20/12/95/1072201295.db2.gz VHWMZJCPQGECQH-OALUTQOASA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@H]1CN(C(=O)CC2(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)CCOCC2)CC[NH+]1CCO ZINC000427211148 1072201289 /nfs/dbraw/zinc/20/12/89/1072201289.db2.gz VHWMZJCPQGECQH-OALUTQOASA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@H]1CN(C(=O)C2(CC(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)CCOCC2)CC[NH+]1CCO ZINC000427211148 1072201282 /nfs/dbraw/zinc/20/12/82/1072201282.db2.gz VHWMZJCPQGECQH-OALUTQOASA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@H]1CN(C(=O)C2(CC(=O)N3CC[N@H+](CCO)[C@@H](C)C3)CCOCC2)CC[NH+]1CCO ZINC000427211148 1072201276 /nfs/dbraw/zinc/20/12/76/1072201276.db2.gz VHWMZJCPQGECQH-OALUTQOASA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@@H]1CN(C(=O)C2(CC(=O)N3CC[NH+](CCO)[C@@H](C)C3)CCOCC2)CC[N@H+]1CCO ZINC000427211151 1072201223 /nfs/dbraw/zinc/20/12/23/1072201223.db2.gz VHWMZJCPQGECQH-RBUKOAKNSA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@@H]1CN(C(=O)C2(CC(=O)N3CC[NH+](CCO)[C@@H](C)C3)CCOCC2)CC[N@@H+]1CCO ZINC000427211151 1072201219 /nfs/dbraw/zinc/20/12/19/1072201219.db2.gz VHWMZJCPQGECQH-RBUKOAKNSA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@@H]1CN(C(=O)C2(CC(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)CCOCC2)CC[NH+]1CCO ZINC000427211151 1072201217 /nfs/dbraw/zinc/20/12/17/1072201217.db2.gz VHWMZJCPQGECQH-RBUKOAKNSA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@@H]1CN(C(=O)C2(CC(=O)N3CC[N@H+](CCO)[C@@H](C)C3)CCOCC2)CC[NH+]1CCO ZINC000427211151 1072201215 /nfs/dbraw/zinc/20/12/15/1072201215.db2.gz VHWMZJCPQGECQH-RBUKOAKNSA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@@H]1CN(C(=O)CC2(C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)CCOCC2)CC[NH+]1CCO ZINC000427211152 1072201205 /nfs/dbraw/zinc/20/12/05/1072201205.db2.gz VHWMZJCPQGECQH-RTBURBONSA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@@H]1CN(C(=O)CC2(C(=O)N3CC[N@H+](CCO)[C@H](C)C3)CCOCC2)CC[NH+]1CCO ZINC000427211152 1072201203 /nfs/dbraw/zinc/20/12/03/1072201203.db2.gz VHWMZJCPQGECQH-RTBURBONSA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@@H]1CN(C(=O)C2(CC(=O)N3CC[N@@H+](CCO)[C@H](C)C3)CCOCC2)CC[NH+]1CCO ZINC000427211152 1072201201 /nfs/dbraw/zinc/20/12/01/1072201201.db2.gz VHWMZJCPQGECQH-RTBURBONSA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@@H]1CN(C(=O)C2(CC(=O)N3CC[N@H+](CCO)[C@H](C)C3)CCOCC2)CC[NH+]1CCO ZINC000427211152 1072201198 /nfs/dbraw/zinc/20/11/98/1072201198.db2.gz VHWMZJCPQGECQH-RTBURBONSA-N 2 2 440.585 -0.777 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[NH+](CCO)[C@H](C)C2)c1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427212534 1071154367 /nfs/dbraw/zinc/15/43/67/1071154367.db2.gz MILZHIGZSAGPAH-MOPGFXCFSA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[NH+](CCO)[C@H](C)C2)c1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427212534 1071154363 /nfs/dbraw/zinc/15/43/63/1071154363.db2.gz MILZHIGZSAGPAH-MOPGFXCFSA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000427212534 1071154359 /nfs/dbraw/zinc/15/43/59/1071154359.db2.gz MILZHIGZSAGPAH-MOPGFXCFSA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000427212534 1071154353 /nfs/dbraw/zinc/15/43/53/1071154353.db2.gz MILZHIGZSAGPAH-MOPGFXCFSA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[NH+](CCO)[C@@H](C)C2)c1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427212535 1071154126 /nfs/dbraw/zinc/15/41/26/1071154126.db2.gz MILZHIGZSAGPAH-OALUTQOASA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[NH+](CCO)[C@@H](C)C2)c1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427212535 1071154119 /nfs/dbraw/zinc/15/41/19/1071154119.db2.gz MILZHIGZSAGPAH-OALUTQOASA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000427212535 1071154112 /nfs/dbraw/zinc/15/41/12/1071154112.db2.gz MILZHIGZSAGPAH-OALUTQOASA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000427212535 1071154104 /nfs/dbraw/zinc/15/41/04/1071154104.db2.gz MILZHIGZSAGPAH-OALUTQOASA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[NH+](CCO)[C@@H](C)C2)c1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427212536 1071154262 /nfs/dbraw/zinc/15/42/62/1071154262.db2.gz MILZHIGZSAGPAH-RBUKOAKNSA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[NH+](CCO)[C@@H](C)C2)c1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427212536 1071154256 /nfs/dbraw/zinc/15/42/56/1071154256.db2.gz MILZHIGZSAGPAH-RBUKOAKNSA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000427212536 1071154250 /nfs/dbraw/zinc/15/42/50/1071154250.db2.gz MILZHIGZSAGPAH-RBUKOAKNSA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000427212536 1071154246 /nfs/dbraw/zinc/15/42/46/1071154246.db2.gz MILZHIGZSAGPAH-RBUKOAKNSA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[NH+](CCO)[C@H](C)C2)c1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427212537 1071154214 /nfs/dbraw/zinc/15/42/14/1071154214.db2.gz MILZHIGZSAGPAH-RTBURBONSA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[NH+](CCO)[C@H](C)C2)c1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427212537 1071154207 /nfs/dbraw/zinc/15/42/07/1071154207.db2.gz MILZHIGZSAGPAH-RTBURBONSA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000427212537 1071154197 /nfs/dbraw/zinc/15/41/97/1071154197.db2.gz MILZHIGZSAGPAH-RTBURBONSA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000427212537 1071154190 /nfs/dbraw/zinc/15/41/90/1071154190.db2.gz MILZHIGZSAGPAH-RTBURBONSA-N 2 2 449.596 -0.460 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)O2)C[C@@H]1C ZINC000427238458 1072202636 /nfs/dbraw/zinc/20/26/36/1072202636.db2.gz VNPRQVGMYMRDDV-APNJTCTJSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)O2)C[C@@H]1C ZINC000427238458 1072202629 /nfs/dbraw/zinc/20/26/29/1072202629.db2.gz VNPRQVGMYMRDDV-APNJTCTJSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)O2)C[C@H]1C ZINC000427238458 1072202621 /nfs/dbraw/zinc/20/26/21/1072202621.db2.gz VNPRQVGMYMRDDV-APNJTCTJSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)O2)C[C@H]1C ZINC000427238458 1072202616 /nfs/dbraw/zinc/20/26/16/1072202616.db2.gz VNPRQVGMYMRDDV-APNJTCTJSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)O2)C[C@@H]1C ZINC000427238459 1072202485 /nfs/dbraw/zinc/20/24/85/1072202485.db2.gz VNPRQVGMYMRDDV-DWIKVQACSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)O2)C[C@@H]1C ZINC000427238459 1072202472 /nfs/dbraw/zinc/20/24/72/1072202472.db2.gz VNPRQVGMYMRDDV-DWIKVQACSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)O2)C[C@H]1C ZINC000427238459 1072202464 /nfs/dbraw/zinc/20/24/64/1072202464.db2.gz VNPRQVGMYMRDDV-DWIKVQACSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)O2)C[C@H]1C ZINC000427238459 1072202456 /nfs/dbraw/zinc/20/24/56/1072202456.db2.gz VNPRQVGMYMRDDV-DWIKVQACSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)O2)C[C@H]1C ZINC000427238460 1072202376 /nfs/dbraw/zinc/20/23/76/1072202376.db2.gz VNPRQVGMYMRDDV-JWLCQNFESA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)O2)C[C@H]1C ZINC000427238460 1072202362 /nfs/dbraw/zinc/20/23/62/1072202362.db2.gz VNPRQVGMYMRDDV-JWLCQNFESA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)O2)C[C@H]1C ZINC000427238460 1072202353 /nfs/dbraw/zinc/20/23/53/1072202353.db2.gz VNPRQVGMYMRDDV-JWLCQNFESA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)O2)C[C@H]1C ZINC000427238460 1072202347 /nfs/dbraw/zinc/20/23/47/1072202347.db2.gz VNPRQVGMYMRDDV-JWLCQNFESA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)O2)C[C@@H]1C ZINC000427238461 1072202273 /nfs/dbraw/zinc/20/22/73/1072202273.db2.gz VNPRQVGMYMRDDV-RPZLJYRGSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)O2)C[C@@H]1C ZINC000427238461 1072202269 /nfs/dbraw/zinc/20/22/69/1072202269.db2.gz VNPRQVGMYMRDDV-RPZLJYRGSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)O2)C[C@@H]1C ZINC000427238461 1072202266 /nfs/dbraw/zinc/20/22/66/1072202266.db2.gz VNPRQVGMYMRDDV-RPZLJYRGSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)O2)C[C@@H]1C ZINC000427238461 1072202261 /nfs/dbraw/zinc/20/22/61/1072202261.db2.gz VNPRQVGMYMRDDV-RPZLJYRGSA-N 2 2 440.585 -0.639 20 0 IBADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)cc2)CC1 ZINC000427401379 1072213171 /nfs/dbraw/zinc/21/31/71/1072213171.db2.gz VCSMXYJDFSCPLK-GOSISDBHSA-N 2 2 445.564 -0.143 20 0 IBADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@H](C)C3)cc2)CC1 ZINC000427401379 1072213163 /nfs/dbraw/zinc/21/31/63/1072213163.db2.gz VCSMXYJDFSCPLK-GOSISDBHSA-N 2 2 445.564 -0.143 20 0 IBADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2)CC1 ZINC000427401380 1072213310 /nfs/dbraw/zinc/21/33/10/1072213310.db2.gz VCSMXYJDFSCPLK-SFHVURJKSA-N 2 2 445.564 -0.143 20 0 IBADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2)CC1 ZINC000427401380 1072213305 /nfs/dbraw/zinc/21/33/05/1072213305.db2.gz VCSMXYJDFSCPLK-SFHVURJKSA-N 2 2 445.564 -0.143 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[N@H+]1CCO ZINC000427422667 1072215262 /nfs/dbraw/zinc/21/52/62/1072215262.db2.gz WODWIBSFUBSRNI-INIZCTEOSA-N 2 2 431.537 -0.153 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[N@@H+]1CCO ZINC000427422667 1072215251 /nfs/dbraw/zinc/21/52/51/1072215251.db2.gz WODWIBSFUBSRNI-INIZCTEOSA-N 2 2 431.537 -0.153 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[N@H+]1CCO ZINC000427422668 1072215043 /nfs/dbraw/zinc/21/50/43/1072215043.db2.gz WODWIBSFUBSRNI-MRXNPFEDSA-N 2 2 431.537 -0.153 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[N@@H+]1CCO ZINC000427422668 1072215035 /nfs/dbraw/zinc/21/50/35/1072215035.db2.gz WODWIBSFUBSRNI-MRXNPFEDSA-N 2 2 431.537 -0.153 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC[NH+]1CCO ZINC000427427006 1072215996 /nfs/dbraw/zinc/21/59/96/1072215996.db2.gz FZHNCCONORFEDX-KRWDZBQOSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC[NH+]1CCO ZINC000427427006 1072215995 /nfs/dbraw/zinc/21/59/95/1072215995.db2.gz FZHNCCONORFEDX-KRWDZBQOSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)CC[N@H+]1CCO ZINC000427427006 1072215988 /nfs/dbraw/zinc/21/59/88/1072215988.db2.gz FZHNCCONORFEDX-KRWDZBQOSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000427427006 1072215980 /nfs/dbraw/zinc/21/59/80/1072215980.db2.gz FZHNCCONORFEDX-KRWDZBQOSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC[NH+]1CCO ZINC000427427007 1072215885 /nfs/dbraw/zinc/21/58/85/1072215885.db2.gz FZHNCCONORFEDX-QGZVFWFLSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC[NH+]1CCO ZINC000427427007 1072215876 /nfs/dbraw/zinc/21/58/76/1072215876.db2.gz FZHNCCONORFEDX-QGZVFWFLSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)CC[N@H+]1CCO ZINC000427427007 1072215864 /nfs/dbraw/zinc/21/58/64/1072215864.db2.gz FZHNCCONORFEDX-QGZVFWFLSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000427427007 1072215856 /nfs/dbraw/zinc/21/58/56/1072215856.db2.gz FZHNCCONORFEDX-QGZVFWFLSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)O1)C[NH+]1CCOCC1 ZINC000427463850 1072219390 /nfs/dbraw/zinc/21/93/90/1072219390.db2.gz HOEGNZJZNPDJBJ-JVSBHGNQSA-N 2 2 440.585 -0.297 20 0 IBADLP C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)O1)C[NH+]1CCOCC1 ZINC000427463852 1072219451 /nfs/dbraw/zinc/21/94/51/1072219451.db2.gz HOEGNZJZNPDJBJ-WTGUMLROSA-N 2 2 440.585 -0.297 20 0 IBADLP C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)O1)C[NH+]1CCOCC1 ZINC000427463854 1072219613 /nfs/dbraw/zinc/21/96/13/1072219613.db2.gz HOEGNZJZNPDJBJ-YRPNKDGESA-N 2 2 440.585 -0.297 20 0 IBADLP C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)O1)C[NH+]1CCOCC1 ZINC000427463856 1072220202 /nfs/dbraw/zinc/22/02/02/1072220202.db2.gz HOEGNZJZNPDJBJ-ZRNYENFQSA-N 2 2 440.585 -0.297 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000427497801 1071156722 /nfs/dbraw/zinc/15/67/22/1071156722.db2.gz SKSSYXFPEXDIIZ-RTBURBONSA-N 2 2 449.596 -0.460 20 0 IBADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000427697425 1072328815 /nfs/dbraw/zinc/32/88/15/1072328815.db2.gz QOFOSZJJWGKIBH-KRWDZBQOSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000427697425 1072328802 /nfs/dbraw/zinc/32/88/02/1072328802.db2.gz QOFOSZJJWGKIBH-KRWDZBQOSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000427698160 1072328887 /nfs/dbraw/zinc/32/88/87/1072328887.db2.gz SJRNWKMRFRLTEF-KRWDZBQOSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000427698160 1072328877 /nfs/dbraw/zinc/32/88/77/1072328877.db2.gz SJRNWKMRFRLTEF-KRWDZBQOSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000427698601 1072329039 /nfs/dbraw/zinc/32/90/39/1072329039.db2.gz QOFOSZJJWGKIBH-QGZVFWFLSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000427698601 1072329027 /nfs/dbraw/zinc/32/90/27/1072329027.db2.gz QOFOSZJJWGKIBH-QGZVFWFLSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000427699121 1072328956 /nfs/dbraw/zinc/32/89/56/1072328956.db2.gz SJRNWKMRFRLTEF-QGZVFWFLSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000427699121 1072328942 /nfs/dbraw/zinc/32/89/42/1072328942.db2.gz SJRNWKMRFRLTEF-QGZVFWFLSA-N 2 2 434.541 -0.135 20 0 IBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[NH+]([C@@H](CC)CO)CC3)O2)CC1 ZINC000427772148 1072334858 /nfs/dbraw/zinc/33/48/58/1072334858.db2.gz UCBHPHVAXGGXBJ-JVSBHGNQSA-N 2 2 440.585 -0.636 20 0 IBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[NH+]([C@H](CC)CO)CC3)O2)CC1 ZINC000427772150 1072334762 /nfs/dbraw/zinc/33/47/62/1072334762.db2.gz UCBHPHVAXGGXBJ-WTGUMLROSA-N 2 2 440.585 -0.636 20 0 IBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[NH+]([C@@H](CC)CO)CC3)O2)CC1 ZINC000427772153 1072334741 /nfs/dbraw/zinc/33/47/41/1072334741.db2.gz UCBHPHVAXGGXBJ-YRPNKDGESA-N 2 2 440.585 -0.636 20 0 IBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[NH+]([C@H](CC)CO)CC3)O2)CC1 ZINC000427772155 1072334713 /nfs/dbraw/zinc/33/47/13/1072334713.db2.gz UCBHPHVAXGGXBJ-ZRNYENFQSA-N 2 2 440.585 -0.636 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)Cc2ccc(CC(=O)N3CC[NH+](C[C@H](C)O)CC3)cc2)CC1 ZINC000428492167 1072784500 /nfs/dbraw/zinc/78/45/00/1072784500.db2.gz CSCMXJKVPNVUSR-PMACEKPBSA-N 2 2 446.592 -0.178 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCSCCC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428517888 1072862085 /nfs/dbraw/zinc/86/20/85/1072862085.db2.gz WPRFOWUKOGGYOO-ROUUACIJSA-N 2 2 430.615 -0.450 20 0 IBADLP C[C@@H]1CN(C(=O)Cc2ccc(CC(=O)N3CC[NH+](CCO)[C@@H](C)C3)cc2)CC[N@H+]1CCO ZINC000428518178 1072862924 /nfs/dbraw/zinc/86/29/24/1072862924.db2.gz AAQQZNRGFDZJKB-BGYRXZFFSA-N 2 2 446.592 -0.178 20 0 IBADLP C[C@@H]1CN(C(=O)Cc2ccc(CC(=O)N3CC[NH+](CCO)[C@@H](C)C3)cc2)CC[N@@H+]1CCO ZINC000428518178 1072862913 /nfs/dbraw/zinc/86/29/13/1072862913.db2.gz AAQQZNRGFDZJKB-BGYRXZFFSA-N 2 2 446.592 -0.178 20 0 IBADLP C[C@@H]1CN(C(=O)Cc2ccc(CC(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2)CC[NH+]1CCO ZINC000428518178 1072862897 /nfs/dbraw/zinc/86/28/97/1072862897.db2.gz AAQQZNRGFDZJKB-BGYRXZFFSA-N 2 2 446.592 -0.178 20 0 IBADLP C[C@@H]1CN(C(=O)Cc2ccc(CC(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2)CC[NH+]1CCO ZINC000428518178 1072862883 /nfs/dbraw/zinc/86/28/83/1072862883.db2.gz AAQQZNRGFDZJKB-BGYRXZFFSA-N 2 2 446.592 -0.178 20 0 IBADLP C[C@H]1CN(C(=O)Cc2ccc(CC(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2)CC[NH+]1CCO ZINC000428518179 1072863252 /nfs/dbraw/zinc/86/32/52/1072863252.db2.gz AAQQZNRGFDZJKB-PMACEKPBSA-N 2 2 446.592 -0.178 20 0 IBADLP C[C@H]1CN(C(=O)Cc2ccc(CC(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2)CC[NH+]1CCO ZINC000428518179 1072863240 /nfs/dbraw/zinc/86/32/40/1072863240.db2.gz AAQQZNRGFDZJKB-PMACEKPBSA-N 2 2 446.592 -0.178 20 0 IBADLP C[C@@H]1CN(C(=O)Cc2ccc(CC(=O)N3CC[N@@H+](CCO)[C@H](C)C3)cc2)CC[NH+]1CCO ZINC000428518180 1072863451 /nfs/dbraw/zinc/86/34/51/1072863451.db2.gz AAQQZNRGFDZJKB-WOJBJXKFSA-N 2 2 446.592 -0.178 20 0 IBADLP C[C@@H]1CN(C(=O)Cc2ccc(CC(=O)N3CC[N@H+](CCO)[C@H](C)C3)cc2)CC[NH+]1CCO ZINC000428518180 1072863440 /nfs/dbraw/zinc/86/34/40/1072863440.db2.gz AAQQZNRGFDZJKB-WOJBJXKFSA-N 2 2 446.592 -0.178 20 0 IBADLP C[C@@H]1CN(C(=O)CCSCCC(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@H+]1CCO ZINC000428536893 1072868116 /nfs/dbraw/zinc/86/81/16/1072868116.db2.gz KFWSIQIWQAYUQP-HDICACEKSA-N 2 2 430.615 -0.450 20 0 IBADLP C[C@@H]1CN(C(=O)CCSCCC(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@@H+]1CCO ZINC000428536893 1072868100 /nfs/dbraw/zinc/86/81/00/1072868100.db2.gz KFWSIQIWQAYUQP-HDICACEKSA-N 2 2 430.615 -0.450 20 0 IBADLP C[C@@H]1CN(C(=O)CCSCCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536893 1072868093 /nfs/dbraw/zinc/86/80/93/1072868093.db2.gz KFWSIQIWQAYUQP-HDICACEKSA-N 2 2 430.615 -0.450 20 0 IBADLP C[C@@H]1CN(C(=O)CCSCCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536893 1072868074 /nfs/dbraw/zinc/86/80/74/1072868074.db2.gz KFWSIQIWQAYUQP-HDICACEKSA-N 2 2 430.615 -0.450 20 0 IBADLP C[C@@H]1CN(C(=O)CCSCCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000428536896 1072868338 /nfs/dbraw/zinc/86/83/38/1072868338.db2.gz KFWSIQIWQAYUQP-QZTJIDSGSA-N 2 2 430.615 -0.450 20 0 IBADLP C[C@@H]1CN(C(=O)CCSCCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000428536896 1072868328 /nfs/dbraw/zinc/86/83/28/1072868328.db2.gz KFWSIQIWQAYUQP-QZTJIDSGSA-N 2 2 430.615 -0.450 20 0 IBADLP C[C@H]1CN(C(=O)CCSCCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536899 1072868860 /nfs/dbraw/zinc/86/88/60/1072868860.db2.gz KFWSIQIWQAYUQP-ROUUACIJSA-N 2 2 430.615 -0.450 20 0 IBADLP C[C@H]1CN(C(=O)CCSCCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536899 1072868849 /nfs/dbraw/zinc/86/88/49/1072868849.db2.gz KFWSIQIWQAYUQP-ROUUACIJSA-N 2 2 430.615 -0.450 20 0 IBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000429470384 1073361029 /nfs/dbraw/zinc/36/10/29/1073361029.db2.gz GTPCCNOMWSZEQC-GOSISDBHSA-N 2 2 444.580 -0.306 20 0 IBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000429470387 1073361320 /nfs/dbraw/zinc/36/13/20/1073361320.db2.gz GTPCCNOMWSZEQC-SFHVURJKSA-N 2 2 444.580 -0.306 20 0 IBADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000431275539 1071052172 /nfs/dbraw/zinc/05/21/72/1071052172.db2.gz RMHYQUCICVDENI-FQEVSTJZSA-N 2 2 444.580 -0.306 20 0 IBADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000431275539 1071052162 /nfs/dbraw/zinc/05/21/62/1071052162.db2.gz RMHYQUCICVDENI-FQEVSTJZSA-N 2 2 444.580 -0.306 20 0 IBADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000431275540 1071052124 /nfs/dbraw/zinc/05/21/24/1071052124.db2.gz RMHYQUCICVDENI-HXUWFJFHSA-N 2 2 444.580 -0.306 20 0 IBADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000431275540 1071052115 /nfs/dbraw/zinc/05/21/15/1071052115.db2.gz RMHYQUCICVDENI-HXUWFJFHSA-N 2 2 444.580 -0.306 20 0 IBADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000431607266 1071250490 /nfs/dbraw/zinc/25/04/90/1071250490.db2.gz GUEVMQKSQHUZIV-NRFANRHFSA-N 2 2 427.590 -0.005 20 0 IBADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000431607267 1071250702 /nfs/dbraw/zinc/25/07/02/1071250702.db2.gz GUEVMQKSQHUZIV-OAQYLSRUSA-N 2 2 427.590 -0.005 20 0 IBADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000431701712 1071293150 /nfs/dbraw/zinc/29/31/50/1071293150.db2.gz HNDWZXVRRIWGBA-GOSISDBHSA-N 2 2 444.536 -0.070 20 0 IBADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000431701712 1071293139 /nfs/dbraw/zinc/29/31/39/1071293139.db2.gz HNDWZXVRRIWGBA-GOSISDBHSA-N 2 2 444.536 -0.070 20 0 IBADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000431701713 1071292775 /nfs/dbraw/zinc/29/27/75/1071292775.db2.gz HNDWZXVRRIWGBA-SFHVURJKSA-N 2 2 444.536 -0.070 20 0 IBADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000431701713 1071292759 /nfs/dbraw/zinc/29/27/59/1071292759.db2.gz HNDWZXVRRIWGBA-SFHVURJKSA-N 2 2 444.536 -0.070 20 0 IBADLP O=C(CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)NCC[NH+]1CCCCCC1 ZINC000431863482 1071349793 /nfs/dbraw/zinc/34/97/93/1071349793.db2.gz RNMOKPHZYQCAGM-UHFFFAOYSA-N 2 2 432.573 -0.110 20 0 IBADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000431995573 1071398829 /nfs/dbraw/zinc/39/88/29/1071398829.db2.gz ZXGZKODVISZIGX-INIZCTEOSA-N 2 2 432.525 -0.131 20 0 IBADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000431995573 1071398815 /nfs/dbraw/zinc/39/88/15/1071398815.db2.gz ZXGZKODVISZIGX-INIZCTEOSA-N 2 2 432.525 -0.131 20 0 IBADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000431995574 1071398906 /nfs/dbraw/zinc/39/89/06/1071398906.db2.gz ZXGZKODVISZIGX-MRXNPFEDSA-N 2 2 432.525 -0.131 20 0 IBADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000431995574 1071398892 /nfs/dbraw/zinc/39/88/92/1071398892.db2.gz ZXGZKODVISZIGX-MRXNPFEDSA-N 2 2 432.525 -0.131 20 0 IBADLP COc1cc(C[NH+]2CC[C@@H](S(N)(=O)=O)C2)cc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000432783929 1071507853 /nfs/dbraw/zinc/50/78/53/1071507853.db2.gz LXPOKLRLRNGIIZ-IAGOWNOFSA-N 2 2 432.568 -0.579 20 0 IBADLP COc1cc(C[NH+]2CC[C@@H](S(N)(=O)=O)C2)cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000432783929 1071507847 /nfs/dbraw/zinc/50/78/47/1071507847.db2.gz LXPOKLRLRNGIIZ-IAGOWNOFSA-N 2 2 432.568 -0.579 20 0 IBADLP COc1cc(C[NH+]2CC[C@H](S(N)(=O)=O)C2)cc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000432783930 1071507792 /nfs/dbraw/zinc/50/77/92/1071507792.db2.gz LXPOKLRLRNGIIZ-IRXDYDNUSA-N 2 2 432.568 -0.579 20 0 IBADLP COc1cc(C[NH+]2CC[C@H](S(N)(=O)=O)C2)cc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000432783930 1071507789 /nfs/dbraw/zinc/50/77/89/1071507789.db2.gz LXPOKLRLRNGIIZ-IRXDYDNUSA-N 2 2 432.568 -0.579 20 0 IBADLP CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000433192090 1071570985 /nfs/dbraw/zinc/57/09/85/1071570985.db2.gz JJNRULUUKXJRBB-GOSISDBHSA-N 2 2 445.630 -0.353 20 0 IBADLP CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000433192091 1071571031 /nfs/dbraw/zinc/57/10/31/1071571031.db2.gz JJNRULUUKXJRBB-SFHVURJKSA-N 2 2 445.630 -0.353 20 0 IBADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCO1 ZINC000433461332 1071593128 /nfs/dbraw/zinc/59/31/28/1071593128.db2.gz UTQMMTKWBYQLPP-GOSISDBHSA-N 2 2 446.618 -0.693 20 0 IBADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCO1 ZINC000433461332 1071593119 /nfs/dbraw/zinc/59/31/19/1071593119.db2.gz UTQMMTKWBYQLPP-GOSISDBHSA-N 2 2 446.618 -0.693 20 0 IBADLP C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCO1 ZINC000433461333 1071593163 /nfs/dbraw/zinc/59/31/63/1071593163.db2.gz UTQMMTKWBYQLPP-SFHVURJKSA-N 2 2 446.618 -0.693 20 0 IBADLP C[C@H]1C[N@H+](CCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCO1 ZINC000433461333 1071593156 /nfs/dbraw/zinc/59/31/56/1071593156.db2.gz UTQMMTKWBYQLPP-SFHVURJKSA-N 2 2 446.618 -0.693 20 0 IBADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000434588430 1071787308 /nfs/dbraw/zinc/78/73/08/1071787308.db2.gz UWFGJUVBZAJDEY-UHFFFAOYSA-N 2 2 436.557 -0.591 20 0 IBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000434591457 1071788529 /nfs/dbraw/zinc/78/85/29/1071788529.db2.gz KMLKIBMOUOEKTL-INIZCTEOSA-N 2 2 445.524 0.512 20 0 IBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000434591457 1071788522 /nfs/dbraw/zinc/78/85/22/1071788522.db2.gz KMLKIBMOUOEKTL-INIZCTEOSA-N 2 2 445.524 0.512 20 0 IBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000434591458 1073333085 /nfs/dbraw/zinc/33/30/85/1073333085.db2.gz KMLKIBMOUOEKTL-MRXNPFEDSA-N 2 2 445.524 0.512 20 0 IBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000434591458 1073333068 /nfs/dbraw/zinc/33/30/68/1073333068.db2.gz KMLKIBMOUOEKTL-MRXNPFEDSA-N 2 2 445.524 0.512 20 0 IBADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)n2)c1C ZINC000434726907 1071800267 /nfs/dbraw/zinc/80/02/67/1071800267.db2.gz NEYJHVLQATVYRZ-UHFFFAOYSA-N 2 2 445.524 0.514 20 0 IBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1 ZINC000434911135 1073333504 /nfs/dbraw/zinc/33/35/04/1073333504.db2.gz BPYPOITXNUWIAY-HNNXBMFYSA-N 2 2 431.497 0.122 20 0 IBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1 ZINC000434911135 1073333496 /nfs/dbraw/zinc/33/34/96/1073333496.db2.gz BPYPOITXNUWIAY-HNNXBMFYSA-N 2 2 431.497 0.122 20 0 IBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1 ZINC000434911136 1073333553 /nfs/dbraw/zinc/33/35/53/1073333553.db2.gz BPYPOITXNUWIAY-OAHLLOKOSA-N 2 2 431.497 0.122 20 0 IBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)C1 ZINC000434911136 1073333548 /nfs/dbraw/zinc/33/35/48/1073333548.db2.gz BPYPOITXNUWIAY-OAHLLOKOSA-N 2 2 431.497 0.122 20 0 IBADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC[C@H](C)C[NH+]3CCOCC3)n2)c1C ZINC000434922942 1071824548 /nfs/dbraw/zinc/82/45/48/1071824548.db2.gz BSUAQOVRFXCICZ-AWEZNQCLSA-N 2 2 445.524 0.370 20 0 IBADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCOCC3)n2)c1C ZINC000434922943 1071823832 /nfs/dbraw/zinc/82/38/32/1071823832.db2.gz BSUAQOVRFXCICZ-CQSZACIVSA-N 2 2 445.524 0.370 20 0 IBADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCC[N@H+]3CCCOCC3)n2)c1C ZINC000435104145 1071838796 /nfs/dbraw/zinc/83/87/96/1071838796.db2.gz DNXXEXCJZKGLIU-UHFFFAOYSA-N 2 2 431.497 0.124 20 0 IBADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)NCC[N@@H+]3CCCOCC3)n2)c1C ZINC000435104145 1071838792 /nfs/dbraw/zinc/83/87/92/1071838792.db2.gz DNXXEXCJZKGLIU-UHFFFAOYSA-N 2 2 431.497 0.124 20 0 IBADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000435143309 1071841848 /nfs/dbraw/zinc/84/18/48/1071841848.db2.gz OOTIYAINFDRZDS-UHFFFAOYSA-N 2 2 437.545 -0.931 20 0 IBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000435143309 1071841844 /nfs/dbraw/zinc/84/18/44/1071841844.db2.gz OOTIYAINFDRZDS-UHFFFAOYSA-N 2 2 437.545 -0.931 20 0 IBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000435158150 1071841748 /nfs/dbraw/zinc/84/17/48/1071841748.db2.gz IIGOBPIJSPLHNT-IYBDPMFKSA-N 2 2 437.545 -0.933 20 0 IBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000435158150 1071841746 /nfs/dbraw/zinc/84/17/46/1071841746.db2.gz IIGOBPIJSPLHNT-IYBDPMFKSA-N 2 2 437.545 -0.933 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000435258159 1071854641 /nfs/dbraw/zinc/85/46/41/1071854641.db2.gz YZIPXCYBYDUWDM-QGZVFWFLSA-N 2 2 429.481 -0.426 20 0 IBADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCC[N@H+]([C@@H](C)CO)CC3)n2)c1C ZINC000435321550 1071859820 /nfs/dbraw/zinc/85/98/20/1071859820.db2.gz XFUIWKHDPHCSIC-HNNXBMFYSA-N 2 2 445.524 0.200 20 0 IBADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCC[N@@H+]([C@@H](C)CO)CC3)n2)c1C ZINC000435321550 1071859813 /nfs/dbraw/zinc/85/98/13/1071859813.db2.gz XFUIWKHDPHCSIC-HNNXBMFYSA-N 2 2 445.524 0.200 20 0 IBADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCC[N@H+]([C@H](C)CO)CC3)n2)c1C ZINC000435321552 1071860043 /nfs/dbraw/zinc/86/00/43/1071860043.db2.gz XFUIWKHDPHCSIC-OAHLLOKOSA-N 2 2 445.524 0.200 20 0 IBADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCC[N@@H+]([C@H](C)CO)CC3)n2)c1C ZINC000435321552 1071860031 /nfs/dbraw/zinc/86/00/31/1071860031.db2.gz XFUIWKHDPHCSIC-OAHLLOKOSA-N 2 2 445.524 0.200 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000435491037 1071870328 /nfs/dbraw/zinc/87/03/28/1071870328.db2.gz JVSBKMZWTHOWPP-IBGZPJMESA-N 2 2 435.573 -0.287 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000435491038 1071870419 /nfs/dbraw/zinc/87/04/19/1071870419.db2.gz JVSBKMZWTHOWPP-LJQANCHMSA-N 2 2 435.573 -0.287 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000435574229 1071874696 /nfs/dbraw/zinc/87/46/96/1071874696.db2.gz NBBJIBPDEPHYRV-GOSISDBHSA-N 2 2 427.590 -0.052 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000435574230 1071874598 /nfs/dbraw/zinc/87/45/98/1071874598.db2.gz NBBJIBPDEPHYRV-SFHVURJKSA-N 2 2 427.590 -0.052 20 0 IBADLP C[NH+]1CCN(CCNC(=O)c2cccc(C(=O)NCCN3CC[NH+](C)CC3)c2O)CC1 ZINC000436514449 1071916993 /nfs/dbraw/zinc/91/69/93/1071916993.db2.gz PCHZIRCPQQKBIV-UHFFFAOYSA-N 2 2 432.569 -0.653 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000437417503 1071963966 /nfs/dbraw/zinc/96/39/66/1071963966.db2.gz ZZSRMUQXEKDCJQ-UHFFFAOYSA-N 2 2 429.518 -0.104 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000437417503 1071963958 /nfs/dbraw/zinc/96/39/58/1071963958.db2.gz ZZSRMUQXEKDCJQ-UHFFFAOYSA-N 2 2 429.518 -0.104 20 0 IBADLP CCOC(=O)Cn1cccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1=O ZINC000437457312 1071966258 /nfs/dbraw/zinc/96/62/58/1071966258.db2.gz WZLIFCKMFCXCHB-UHFFFAOYSA-N 2 2 435.525 -0.166 20 0 IBADLP CCOC(=O)Cn1cccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1=O ZINC000437457312 1071966248 /nfs/dbraw/zinc/96/62/48/1071966248.db2.gz WZLIFCKMFCXCHB-UHFFFAOYSA-N 2 2 435.525 -0.166 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000437459581 1071966376 /nfs/dbraw/zinc/96/63/76/1071966376.db2.gz DIKKCOYWSRATOQ-UHFFFAOYSA-N 2 2 429.525 -0.006 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000437459581 1071966372 /nfs/dbraw/zinc/96/63/72/1071966372.db2.gz DIKKCOYWSRATOQ-UHFFFAOYSA-N 2 2 429.525 -0.006 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000437471719 1071966989 /nfs/dbraw/zinc/96/69/89/1071966989.db2.gz JRWCPBXBIMVZJV-UHFFFAOYSA-N 2 2 445.524 -0.945 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000437471719 1071966984 /nfs/dbraw/zinc/96/69/84/1071966984.db2.gz JRWCPBXBIMVZJV-UHFFFAOYSA-N 2 2 445.524 -0.945 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000437481148 1071967504 /nfs/dbraw/zinc/96/75/04/1071967504.db2.gz YIPAZWWFODUOBH-UHFFFAOYSA-N 2 2 431.541 -0.559 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000437481148 1071967501 /nfs/dbraw/zinc/96/75/01/1071967501.db2.gz YIPAZWWFODUOBH-UHFFFAOYSA-N 2 2 431.541 -0.559 20 0 IBADLP Cc1cc(O)cc(=O)n1CCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000437856496 1071986728 /nfs/dbraw/zinc/98/67/28/1071986728.db2.gz WBDYTHAHXAOKNS-UHFFFAOYSA-N 2 2 433.553 -0.051 20 0 IBADLP C[NH+](C)CCn1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000438705155 1072022498 /nfs/dbraw/zinc/02/24/98/1072022498.db2.gz FUPGCLIFEADWOF-UHFFFAOYSA-N 2 2 429.529 0.425 20 0 IBADLP C[NH+](C)CCn1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000438705155 1072022486 /nfs/dbraw/zinc/02/24/86/1072022486.db2.gz FUPGCLIFEADWOF-UHFFFAOYSA-N 2 2 429.529 0.425 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000439358740 1072074345 /nfs/dbraw/zinc/07/43/45/1072074345.db2.gz MOYARMNJGXCHHL-GOSISDBHSA-N 2 2 449.556 -0.787 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000439358745 1072074429 /nfs/dbraw/zinc/07/44/29/1072074429.db2.gz MOYARMNJGXCHHL-SFHVURJKSA-N 2 2 449.556 -0.787 20 0 IBADLP CCCn1nccc1NC(=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000439383675 1072075951 /nfs/dbraw/zinc/07/59/51/1072075951.db2.gz HEGPMVOBOIBRMZ-UHFFFAOYSA-N 2 2 433.557 -0.072 20 0 IBADLP Cc1ccc(NC(=O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c(=O)[nH]1 ZINC000439386141 1072076274 /nfs/dbraw/zinc/07/62/74/1072076274.db2.gz LBXYFUKVUWKBRL-UHFFFAOYSA-N 2 2 432.525 -0.269 20 0 IBADLP Cc1nn(C)c(NC(=O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000439386173 1072076501 /nfs/dbraw/zinc/07/65/01/1072076501.db2.gz WQIBVOUDOQENRY-UHFFFAOYSA-N 2 2 433.557 -0.328 20 0 IBADLP COc1ccc(NC(=O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000439386565 1072076552 /nfs/dbraw/zinc/07/65/52/1072076552.db2.gz LNNJHVMKORYWON-UHFFFAOYSA-N 2 2 432.525 -0.275 20 0 IBADLP Cc1nn(C)c(C)c1NC(=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000439386811 1072076414 /nfs/dbraw/zinc/07/64/14/1072076414.db2.gz XYPSMFNWMOJWBF-UHFFFAOYSA-N 2 2 433.557 -0.328 20 0 IBADLP CCc1cc(NC(=O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000439388106 1072076353 /nfs/dbraw/zinc/07/63/53/1072076353.db2.gz QRVIJXSKDZHACZ-UHFFFAOYSA-N 2 2 433.557 -0.382 20 0 IBADLP CN(C)c1ccc(NC(=O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000439388289 1072076464 /nfs/dbraw/zinc/07/64/64/1072076464.db2.gz RBMMQPZAEPPVKC-UHFFFAOYSA-N 2 2 445.568 -0.217 20 0 IBADLP CC(C)c1cc(NC(=O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000439391341 1072076961 /nfs/dbraw/zinc/07/69/61/1072076961.db2.gz CSRVFNYQGZSQNF-UHFFFAOYSA-N 2 2 434.541 0.433 20 0 IBADLP CCc1nn(C)cc1NC(=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000439392360 1072077475 /nfs/dbraw/zinc/07/74/75/1072077475.db2.gz MEVZTXMYIYREOH-UHFFFAOYSA-N 2 2 433.557 -0.382 20 0 IBADLP CN(C(=O)C(=O)Nc1cccc(C(N)=O)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000439392852 1072075376 /nfs/dbraw/zinc/07/53/76/1072075376.db2.gz ODUHIGTYXLJPIV-UHFFFAOYSA-N 2 2 444.536 -0.579 20 0 IBADLP COc1ncccc1NC(=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000439395859 1072078047 /nfs/dbraw/zinc/07/80/47/1072078047.db2.gz WVMPXMYEZOUHNY-UHFFFAOYSA-N 2 2 432.525 -0.275 20 0 IBADLP CN(C(=O)C(=O)Nc1c2c(nn1C)CCC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000439396643 1072077829 /nfs/dbraw/zinc/07/78/29/1072077829.db2.gz YNNSBXQPKOWJLE-UHFFFAOYSA-N 2 2 445.568 -0.456 20 0 IBADLP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000440513347 1072226481 /nfs/dbraw/zinc/22/64/81/1072226481.db2.gz JZMBDMRUBJZEJF-NFBKMPQASA-N 2 2 430.549 -0.080 20 0 IBADLP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000440513347 1072226473 /nfs/dbraw/zinc/22/64/73/1072226473.db2.gz JZMBDMRUBJZEJF-NFBKMPQASA-N 2 2 430.549 -0.080 20 0 IBADLP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000440513350 1072226270 /nfs/dbraw/zinc/22/62/70/1072226270.db2.gz JZMBDMRUBJZEJF-NZQKXSOJSA-N 2 2 430.549 -0.080 20 0 IBADLP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000440513350 1072226262 /nfs/dbraw/zinc/22/62/62/1072226262.db2.gz JZMBDMRUBJZEJF-NZQKXSOJSA-N 2 2 430.549 -0.080 20 0 IBADLP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000440513353 1072226358 /nfs/dbraw/zinc/22/63/58/1072226358.db2.gz JZMBDMRUBJZEJF-OFNKIYASSA-N 2 2 430.549 -0.080 20 0 IBADLP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000440513353 1072226347 /nfs/dbraw/zinc/22/63/47/1072226347.db2.gz JZMBDMRUBJZEJF-OFNKIYASSA-N 2 2 430.549 -0.080 20 0 IBADLP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000440513357 1072226401 /nfs/dbraw/zinc/22/64/01/1072226401.db2.gz JZMBDMRUBJZEJF-REWPJTCUSA-N 2 2 430.549 -0.080 20 0 IBADLP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000440513357 1072226394 /nfs/dbraw/zinc/22/63/94/1072226394.db2.gz JZMBDMRUBJZEJF-REWPJTCUSA-N 2 2 430.549 -0.080 20 0 IBADLP CNc1nc(NCCN2CC[N@@H+](C)C(C)(C)C2)nc(NCCN2CC[NH+](C)C(C)(C)C2)[nH+]1 ZINC000440672735 1072232526 /nfs/dbraw/zinc/23/25/26/1072232526.db2.gz MHCLEOUAKMORDV-UHFFFAOYSA-N 3 2 448.664 -0.945 20 0 IBADLP CNc1nc(NCCN2CC[N@H+](C)C(C)(C)C2)nc(NCCN2CC[NH+](C)C(C)(C)C2)[nH+]1 ZINC000440672735 1072232518 /nfs/dbraw/zinc/23/25/18/1072232518.db2.gz MHCLEOUAKMORDV-UHFFFAOYSA-N 3 2 448.664 -0.945 20 0 IBADLP CNc1nc(NCCN2CC[NH+](C)C(C)(C)C2)nc(NCCN2CC[N@@H+](C)C(C)(C)C2)[nH+]1 ZINC000440672735 1072232510 /nfs/dbraw/zinc/23/25/10/1072232510.db2.gz MHCLEOUAKMORDV-UHFFFAOYSA-N 3 2 448.664 -0.945 20 0 IBADLP CNc1nc(NCCN2CC[NH+](C)C(C)(C)C2)nc(NCCN2CC[N@H+](C)C(C)(C)C2)[nH+]1 ZINC000440672735 1072232506 /nfs/dbraw/zinc/23/25/06/1072232506.db2.gz MHCLEOUAKMORDV-UHFFFAOYSA-N 3 2 448.664 -0.945 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000440977127 1072247438 /nfs/dbraw/zinc/24/74/38/1072247438.db2.gz AREDCKPSMDQVPG-KRWDZBQOSA-N 2 2 435.525 -0.355 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000440977130 1072247195 /nfs/dbraw/zinc/24/71/95/1072247195.db2.gz AREDCKPSMDQVPG-QGZVFWFLSA-N 2 2 435.525 -0.355 20 0 IBADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2)CC1 ZINC000440977232 1072247452 /nfs/dbraw/zinc/24/74/52/1072247452.db2.gz BGKLRIMGHSLDDO-NRFANRHFSA-N 2 2 447.580 -0.086 20 0 IBADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2)CC1 ZINC000440977233 1072247081 /nfs/dbraw/zinc/24/70/81/1072247081.db2.gz BGKLRIMGHSLDDO-OAQYLSRUSA-N 2 2 447.580 -0.086 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000440980235 1072247862 /nfs/dbraw/zinc/24/78/62/1072247862.db2.gz BUNCWDJJVMWCSD-GOSISDBHSA-N 2 2 435.525 -0.333 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000440980238 1072247815 /nfs/dbraw/zinc/24/78/15/1072247815.db2.gz BUNCWDJJVMWCSD-SFHVURJKSA-N 2 2 435.525 -0.333 20 0 IBADLP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)c2)CC1 ZINC000440984814 1072246625 /nfs/dbraw/zinc/24/66/25/1072246625.db2.gz OHJDNFUFWAZHGP-FQEVSTJZSA-N 2 2 433.553 -0.082 20 0 IBADLP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)c2)CC1 ZINC000440984818 1072246748 /nfs/dbraw/zinc/24/67/48/1072246748.db2.gz OHJDNFUFWAZHGP-HXUWFJFHSA-N 2 2 433.553 -0.082 20 0 IBADLP Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1NC(=O)CC[NH+](C)C ZINC000440989209 1072248539 /nfs/dbraw/zinc/24/85/39/1072248539.db2.gz KRCMVEXLMZEQEC-GOSISDBHSA-N 2 2 449.552 -0.025 20 0 IBADLP Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1NC(=O)CC[NH+](C)C ZINC000440989210 1072248553 /nfs/dbraw/zinc/24/85/53/1072248553.db2.gz KRCMVEXLMZEQEC-SFHVURJKSA-N 2 2 449.552 -0.025 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000441007406 1072252131 /nfs/dbraw/zinc/25/21/31/1072252131.db2.gz WLNHYKTUJNXGRU-FQEVSTJZSA-N 2 2 433.553 -0.476 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000441007411 1072252021 /nfs/dbraw/zinc/25/20/21/1072252021.db2.gz WLNHYKTUJNXGRU-HXUWFJFHSA-N 2 2 433.553 -0.476 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000441020661 1072253159 /nfs/dbraw/zinc/25/31/59/1072253159.db2.gz IMJWCBSWXNZGEW-INIZCTEOSA-N 2 2 449.508 -0.754 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000441020663 1072253143 /nfs/dbraw/zinc/25/31/43/1072253143.db2.gz IMJWCBSWXNZGEW-MRXNPFEDSA-N 2 2 449.508 -0.754 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000441022494 1072253738 /nfs/dbraw/zinc/25/37/38/1072253738.db2.gz MQCDFUGJNQZLTR-FQEVSTJZSA-N 2 2 434.537 -0.349 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000441022495 1072253657 /nfs/dbraw/zinc/25/36/57/1072253657.db2.gz MQCDFUGJNQZLTR-HXUWFJFHSA-N 2 2 434.537 -0.349 20 0 IBADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000441253319 1070841729 /nfs/dbraw/zinc/84/17/29/1070841729.db2.gz HPSKNDNOCBDOCS-AABGKKOBSA-N 2 2 437.585 -0.827 20 0 IBADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000441253319 1070841705 /nfs/dbraw/zinc/84/17/05/1070841705.db2.gz HPSKNDNOCBDOCS-AABGKKOBSA-N 2 2 437.585 -0.827 20 0 IBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000441253322 1070842066 /nfs/dbraw/zinc/84/20/66/1070842066.db2.gz HPSKNDNOCBDOCS-AQNXPRMDSA-N 2 2 437.585 -0.827 20 0 IBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000441253322 1070842038 /nfs/dbraw/zinc/84/20/38/1070842038.db2.gz HPSKNDNOCBDOCS-AQNXPRMDSA-N 2 2 437.585 -0.827 20 0 IBADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000441253325 1070841506 /nfs/dbraw/zinc/84/15/06/1070841506.db2.gz HPSKNDNOCBDOCS-HSALFYBXSA-N 2 2 437.585 -0.827 20 0 IBADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000441253325 1070841483 /nfs/dbraw/zinc/84/14/83/1070841483.db2.gz HPSKNDNOCBDOCS-HSALFYBXSA-N 2 2 437.585 -0.827 20 0 IBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000441253326 1070841872 /nfs/dbraw/zinc/84/18/72/1070841872.db2.gz HPSKNDNOCBDOCS-VAMGGRTRSA-N 2 2 437.585 -0.827 20 0 IBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000441253326 1070841846 /nfs/dbraw/zinc/84/18/46/1070841846.db2.gz HPSKNDNOCBDOCS-VAMGGRTRSA-N 2 2 437.585 -0.827 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCNS(=O)(=O)c3cnn(C)c3)CC2)CC1 ZINC000441318549 1072267028 /nfs/dbraw/zinc/26/70/28/1072267028.db2.gz PFXFJMLODNVVEW-UHFFFAOYSA-N 2 2 426.587 -0.035 20 0 IBADLP O=C(CN1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402941 1070843210 /nfs/dbraw/zinc/84/32/10/1070843210.db2.gz PFSHBURCOTWMJM-CTNGQTDRSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402941 1070843178 /nfs/dbraw/zinc/84/31/78/1070843178.db2.gz PFSHBURCOTWMJM-CTNGQTDRSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402941 1070843152 /nfs/dbraw/zinc/84/31/52/1070843152.db2.gz PFSHBURCOTWMJM-CTNGQTDRSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402941 1070843124 /nfs/dbraw/zinc/84/31/24/1070843124.db2.gz PFSHBURCOTWMJM-CTNGQTDRSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402943 1070842855 /nfs/dbraw/zinc/84/28/55/1070842855.db2.gz PFSHBURCOTWMJM-FPOVZHCZSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402943 1070842825 /nfs/dbraw/zinc/84/28/25/1070842825.db2.gz PFSHBURCOTWMJM-FPOVZHCZSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402943 1070842797 /nfs/dbraw/zinc/84/27/97/1070842797.db2.gz PFSHBURCOTWMJM-FPOVZHCZSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402943 1070842770 /nfs/dbraw/zinc/84/27/70/1070842770.db2.gz PFSHBURCOTWMJM-FPOVZHCZSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402946 1070843484 /nfs/dbraw/zinc/84/34/84/1070843484.db2.gz PFSHBURCOTWMJM-PZJWPPBQSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402946 1070843452 /nfs/dbraw/zinc/84/34/52/1070843452.db2.gz PFSHBURCOTWMJM-PZJWPPBQSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402946 1070843427 /nfs/dbraw/zinc/84/34/27/1070843427.db2.gz PFSHBURCOTWMJM-PZJWPPBQSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402946 1070843405 /nfs/dbraw/zinc/84/34/05/1070843405.db2.gz PFSHBURCOTWMJM-PZJWPPBQSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402948 1070843686 /nfs/dbraw/zinc/84/36/86/1070843686.db2.gz PFSHBURCOTWMJM-TZIWHRDSSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402948 1070843663 /nfs/dbraw/zinc/84/36/63/1070843663.db2.gz PFSHBURCOTWMJM-TZIWHRDSSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402948 1070843639 /nfs/dbraw/zinc/84/36/39/1070843639.db2.gz PFSHBURCOTWMJM-TZIWHRDSSA-N 2 2 433.597 -0.062 20 0 IBADLP O=C(CN1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1)N1CCOCC1 ZINC000441402948 1070843610 /nfs/dbraw/zinc/84/36/10/1070843610.db2.gz PFSHBURCOTWMJM-TZIWHRDSSA-N 2 2 433.597 -0.062 20 0 IBADLP C[NH+](C)CC1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000441516145 1072296321 /nfs/dbraw/zinc/29/63/21/1072296321.db2.gz OAGCHXSOQOPSOJ-UHFFFAOYSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC000441582815 1072300104 /nfs/dbraw/zinc/30/01/04/1072300104.db2.gz SNXDDEMOXVTKGJ-DJIMGWMZSA-N 2 2 431.603 -0.425 20 0 IBADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC000441582815 1072300092 /nfs/dbraw/zinc/30/00/92/1072300092.db2.gz SNXDDEMOXVTKGJ-DJIMGWMZSA-N 2 2 431.603 -0.425 20 0 IBADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC000441582816 1072300191 /nfs/dbraw/zinc/30/01/91/1072300191.db2.gz SNXDDEMOXVTKGJ-HYVNUMGLSA-N 2 2 431.603 -0.425 20 0 IBADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC000441582816 1072300184 /nfs/dbraw/zinc/30/01/84/1072300184.db2.gz SNXDDEMOXVTKGJ-HYVNUMGLSA-N 2 2 431.603 -0.425 20 0 IBADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC000441582817 1072300160 /nfs/dbraw/zinc/30/01/60/1072300160.db2.gz SNXDDEMOXVTKGJ-OIISXLGYSA-N 2 2 431.603 -0.425 20 0 IBADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC000441582817 1072300150 /nfs/dbraw/zinc/30/01/50/1072300150.db2.gz SNXDDEMOXVTKGJ-OIISXLGYSA-N 2 2 431.603 -0.425 20 0 IBADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC000441582818 1072300054 /nfs/dbraw/zinc/30/00/54/1072300054.db2.gz SNXDDEMOXVTKGJ-PVAVHDDUSA-N 2 2 431.603 -0.425 20 0 IBADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC000441582818 1072300050 /nfs/dbraw/zinc/30/00/50/1072300050.db2.gz SNXDDEMOXVTKGJ-PVAVHDDUSA-N 2 2 431.603 -0.425 20 0 IBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)C1 ZINC000441980011 1072373622 /nfs/dbraw/zinc/37/36/22/1072373622.db2.gz RLNJOKPKXMVGPD-KRWDZBQOSA-N 2 2 447.536 -0.142 20 0 IBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)C1 ZINC000441980011 1072373612 /nfs/dbraw/zinc/37/36/12/1072373612.db2.gz RLNJOKPKXMVGPD-KRWDZBQOSA-N 2 2 447.536 -0.142 20 0 IBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)C1 ZINC000441980012 1072373563 /nfs/dbraw/zinc/37/35/63/1072373563.db2.gz RLNJOKPKXMVGPD-QGZVFWFLSA-N 2 2 447.536 -0.142 20 0 IBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)C1 ZINC000441980012 1072373553 /nfs/dbraw/zinc/37/35/53/1072373553.db2.gz RLNJOKPKXMVGPD-QGZVFWFLSA-N 2 2 447.536 -0.142 20 0 IBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000441985700 1072379142 /nfs/dbraw/zinc/37/91/42/1072379142.db2.gz JQEYCCYPGYFKEM-IBGZPJMESA-N 2 2 431.537 -0.222 20 0 IBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000441985700 1072379128 /nfs/dbraw/zinc/37/91/28/1072379128.db2.gz JQEYCCYPGYFKEM-IBGZPJMESA-N 2 2 431.537 -0.222 20 0 IBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000441985704 1072379022 /nfs/dbraw/zinc/37/90/22/1072379022.db2.gz JQEYCCYPGYFKEM-LJQANCHMSA-N 2 2 431.537 -0.222 20 0 IBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000441985704 1072379007 /nfs/dbraw/zinc/37/90/07/1072379007.db2.gz JQEYCCYPGYFKEM-LJQANCHMSA-N 2 2 431.537 -0.222 20 0 IBADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)cc2)CC1 ZINC000442010838 1072386284 /nfs/dbraw/zinc/38/62/84/1072386284.db2.gz IXWWSKONPAJJJR-HSZRJFAPSA-N 2 2 447.580 -0.038 20 0 IBADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)cc2)CC1 ZINC000442010839 1072386195 /nfs/dbraw/zinc/38/61/95/1072386195.db2.gz IXWWSKONPAJJJR-QHCPKHFHSA-N 2 2 447.580 -0.038 20 0 IBADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)c2)CC1 ZINC000442032819 1072393603 /nfs/dbraw/zinc/39/36/03/1072393603.db2.gz OQDPXRCYTMUWFT-JOCHJYFZSA-N 2 2 433.553 -0.428 20 0 IBADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)c2)CC1 ZINC000442032821 1072393040 /nfs/dbraw/zinc/39/30/40/1072393040.db2.gz OQDPXRCYTMUWFT-QFIPXVFZSA-N 2 2 433.553 -0.428 20 0 IBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000442049172 1072399093 /nfs/dbraw/zinc/39/90/93/1072399093.db2.gz BQHFIZNEGFYJHC-INIZCTEOSA-N 2 2 446.552 -0.289 20 0 IBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000442049172 1072399086 /nfs/dbraw/zinc/39/90/86/1072399086.db2.gz BQHFIZNEGFYJHC-INIZCTEOSA-N 2 2 446.552 -0.289 20 0 IBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000442049180 1072399173 /nfs/dbraw/zinc/39/91/73/1072399173.db2.gz BQHFIZNEGFYJHC-MRXNPFEDSA-N 2 2 446.552 -0.289 20 0 IBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000442049180 1072399164 /nfs/dbraw/zinc/39/91/64/1072399164.db2.gz BQHFIZNEGFYJHC-MRXNPFEDSA-N 2 2 446.552 -0.289 20 0 IBADLP C[C@@](O)(CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000442054924 1072396439 /nfs/dbraw/zinc/39/64/39/1072396439.db2.gz TVGMCVPAKIXOBH-JOCHJYFZSA-N 2 2 434.537 -0.301 20 0 IBADLP C[C@](O)(CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C[NH+]1CCOCC1 ZINC000442054925 1072396363 /nfs/dbraw/zinc/39/63/63/1072396363.db2.gz TVGMCVPAKIXOBH-QFIPXVFZSA-N 2 2 434.537 -0.301 20 0 IBADLP O=S(=O)(CCCS(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000443011963 1072465023 /nfs/dbraw/zinc/46/50/23/1072465023.db2.gz ILIVERNVFVVMEF-KDURUIRLSA-N 2 2 444.623 -0.072 20 0 IBADLP O=S(=O)(CCCS(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000443011964 1072465003 /nfs/dbraw/zinc/46/50/03/1072465003.db2.gz ILIVERNVFVVMEF-OALUTQOASA-N 2 2 444.623 -0.072 20 0 IBADLP O=S(=O)(CCCS(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000443011965 1072464988 /nfs/dbraw/zinc/46/49/88/1072464988.db2.gz ILIVERNVFVVMEF-RTBURBONSA-N 2 2 444.623 -0.072 20 0 IBADLP CC[NH+]1CCN(CC(=O)N2C[C@@H]3CCCN(C(=O)CN4CC[NH+](CC)CC4)[C@@H]3C2)CC1 ZINC000443545193 1072517688 /nfs/dbraw/zinc/51/76/88/1072517688.db2.gz VNUXFZCPSDYZCT-LEWJYISDSA-N 2 2 434.629 -0.289 20 0 IBADLP Cc1cnc(N2CCN(C(=O)C[NH+](C)C)CC2)nc1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000444113311 1072576721 /nfs/dbraw/zinc/57/67/21/1072576721.db2.gz REKDDINFZOPIBO-UHFFFAOYSA-N 2 2 432.573 -0.795 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000444237306 1072586560 /nfs/dbraw/zinc/58/65/60/1072586560.db2.gz JBMNRRNWANDDSS-KRWDZBQOSA-N 2 2 428.541 -0.192 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000444237306 1072586550 /nfs/dbraw/zinc/58/65/50/1072586550.db2.gz JBMNRRNWANDDSS-KRWDZBQOSA-N 2 2 428.541 -0.192 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000444237307 1072586487 /nfs/dbraw/zinc/58/64/87/1072586487.db2.gz JBMNRRNWANDDSS-QGZVFWFLSA-N 2 2 428.541 -0.192 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000444237307 1072586482 /nfs/dbraw/zinc/58/64/82/1072586482.db2.gz JBMNRRNWANDDSS-QGZVFWFLSA-N 2 2 428.541 -0.192 20 0 IBADLP C[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc(CC(=O)N3CC[NH+](C[C@@H](C)O)CC3)cc2)CC1 ZINC000444379869 1072617877 /nfs/dbraw/zinc/61/78/77/1072617877.db2.gz CSCMXJKVPNVUSR-WOJBJXKFSA-N 2 2 446.592 -0.178 20 0 IBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCSCCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444385669 1072621621 /nfs/dbraw/zinc/62/16/21/1072621621.db2.gz WPRFOWUKOGGYOO-QZTJIDSGSA-N 2 2 430.615 -0.450 20 0 IBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CC2(C(=O)N3CC[NH+](C[C@@H](C)O)CC3)CCOCC2)CC1 ZINC000444390708 1072619898 /nfs/dbraw/zinc/61/98/98/1072619898.db2.gz WNWFCOXBAPIYKM-RTBURBONSA-N 2 2 440.585 -0.777 20 0 IBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000444673113 1072651582 /nfs/dbraw/zinc/65/15/82/1072651582.db2.gz HWCVIGWFZLXOMO-INIZCTEOSA-N 2 2 430.557 -0.211 20 0 IBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000444673113 1072651576 /nfs/dbraw/zinc/65/15/76/1072651576.db2.gz HWCVIGWFZLXOMO-INIZCTEOSA-N 2 2 430.557 -0.211 20 0 IBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000444673114 1072651548 /nfs/dbraw/zinc/65/15/48/1072651548.db2.gz HWCVIGWFZLXOMO-MRXNPFEDSA-N 2 2 430.557 -0.211 20 0 IBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000444673114 1072651541 /nfs/dbraw/zinc/65/15/41/1072651541.db2.gz HWCVIGWFZLXOMO-MRXNPFEDSA-N 2 2 430.557 -0.211 20 0 IBADLP Cn1cc([C@@H]2C[N@@H+](CC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)C[C@H]2CO)cn1 ZINC000444753109 1072656808 /nfs/dbraw/zinc/65/68/08/1072656808.db2.gz XTXBHTXKNOPMLF-WMZOPIPTSA-N 2 2 439.524 -0.547 20 0 IBADLP Cn1cc([C@@H]2C[N@H+](CC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)C[C@H]2CO)cn1 ZINC000444753109 1072656804 /nfs/dbraw/zinc/65/68/04/1072656804.db2.gz XTXBHTXKNOPMLF-WMZOPIPTSA-N 2 2 439.524 -0.547 20 0 IBADLP C[C@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@H+]1CC(C)(C)O ZINC000444759763 1072655577 /nfs/dbraw/zinc/65/55/77/1072655577.db2.gz JRJQRFCAUFKXNN-INIZCTEOSA-N 2 2 430.557 -0.211 20 0 IBADLP C[C@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000444759763 1072655573 /nfs/dbraw/zinc/65/55/73/1072655573.db2.gz JRJQRFCAUFKXNN-INIZCTEOSA-N 2 2 430.557 -0.211 20 0 IBADLP C[C@@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@H+]1CC(C)(C)O ZINC000444759767 1072655622 /nfs/dbraw/zinc/65/56/22/1072655622.db2.gz JRJQRFCAUFKXNN-MRXNPFEDSA-N 2 2 430.557 -0.211 20 0 IBADLP C[C@@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000444759767 1072655618 /nfs/dbraw/zinc/65/56/18/1072655618.db2.gz JRJQRFCAUFKXNN-MRXNPFEDSA-N 2 2 430.557 -0.211 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)CC1 ZINC000444865317 1072662131 /nfs/dbraw/zinc/66/21/31/1072662131.db2.gz ZSKIPBOFRUXIKT-UHFFFAOYSA-N 2 2 433.557 0.422 20 0 IBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000445160380 1072675149 /nfs/dbraw/zinc/67/51/49/1072675149.db2.gz OWDPZASSNKINAY-QGZVFWFLSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000445160380 1072675147 /nfs/dbraw/zinc/67/51/47/1072675147.db2.gz OWDPZASSNKINAY-QGZVFWFLSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000445163053 1072675644 /nfs/dbraw/zinc/67/56/44/1072675644.db2.gz GXDLAIAOZLRSLQ-MRXNPFEDSA-N 2 2 431.537 -0.153 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@H+]1CC(C)(C)O ZINC000445196559 1072680795 /nfs/dbraw/zinc/68/07/95/1072680795.db2.gz WRZWXUZRRBKBSE-INIZCTEOSA-N 2 2 446.552 -0.289 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@@H+]1CC(C)(C)O ZINC000445196559 1072680790 /nfs/dbraw/zinc/68/07/90/1072680790.db2.gz WRZWXUZRRBKBSE-INIZCTEOSA-N 2 2 446.552 -0.289 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@H+]1CC(C)(C)O ZINC000445196562 1072680625 /nfs/dbraw/zinc/68/06/25/1072680625.db2.gz WRZWXUZRRBKBSE-MRXNPFEDSA-N 2 2 446.552 -0.289 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@@H+]1CC(C)(C)O ZINC000445196562 1072680620 /nfs/dbraw/zinc/68/06/20/1072680620.db2.gz WRZWXUZRRBKBSE-MRXNPFEDSA-N 2 2 446.552 -0.289 20 0 IBADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC[N@H+]3CCCOCC3)cc2)CC1 ZINC000446229398 1072723559 /nfs/dbraw/zinc/72/35/59/1072723559.db2.gz SZCXCORUXOSPMQ-UHFFFAOYSA-N 2 2 431.537 -0.220 20 0 IBADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC[N@@H+]3CCCOCC3)cc2)CC1 ZINC000446229398 1072723552 /nfs/dbraw/zinc/72/35/52/1072723552.db2.gz SZCXCORUXOSPMQ-UHFFFAOYSA-N 2 2 431.537 -0.220 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000446717821 1072743745 /nfs/dbraw/zinc/74/37/45/1072743745.db2.gz VLUKWZUKVZEMBY-UHFFFAOYSA-N 2 2 449.556 -0.834 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000446729963 1073334084 /nfs/dbraw/zinc/33/40/84/1073334084.db2.gz XTQRPYJKRRUWEQ-UHFFFAOYSA-N 2 2 448.568 0.115 20 0 IBADLP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)Cc2ccccc2C1 ZINC000446732073 1073306696 /nfs/dbraw/zinc/30/66/96/1073306696.db2.gz OBIIQAGDNDLKDR-UHFFFAOYSA-N 2 2 440.548 0.369 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000446732849 1072743081 /nfs/dbraw/zinc/74/30/81/1072743081.db2.gz WUXOOUYVFNFYIK-UHFFFAOYSA-N 2 2 448.568 0.257 20 0 IBADLP C[N@@H+](CCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccc(F)cc1 ZINC000446735966 1072743702 /nfs/dbraw/zinc/74/37/02/1072743702.db2.gz MLCAMRFILBZNRF-UHFFFAOYSA-N 2 2 432.500 0.541 20 0 IBADLP C[N@H+](CCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccc(F)cc1 ZINC000446735966 1072743695 /nfs/dbraw/zinc/74/36/95/1072743695.db2.gz MLCAMRFILBZNRF-UHFFFAOYSA-N 2 2 432.500 0.541 20 0 IBADLP C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000446738173 1073306810 /nfs/dbraw/zinc/30/68/10/1073306810.db2.gz FULCUNAWFAZIIE-UHFFFAOYSA-N 2 2 436.557 0.113 20 0 IBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446775839 1073352851 /nfs/dbraw/zinc/35/28/51/1073352851.db2.gz ZIMLPLZVRRJGID-KRWDZBQOSA-N 2 2 428.541 0.105 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446775843 1073309810 /nfs/dbraw/zinc/30/98/10/1073309810.db2.gz ZIMLPLZVRRJGID-QGZVFWFLSA-N 2 2 428.541 0.105 20 0 IBADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)CC2 ZINC000446782677 1073342660 /nfs/dbraw/zinc/34/26/60/1073342660.db2.gz CKBGHIXWARAESA-UHFFFAOYSA-N 2 2 444.536 0.575 20 0 IBADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)CC2 ZINC000446782677 1073342654 /nfs/dbraw/zinc/34/26/54/1073342654.db2.gz CKBGHIXWARAESA-UHFFFAOYSA-N 2 2 444.536 0.575 20 0 IBADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000446789797 1072746864 /nfs/dbraw/zinc/74/68/64/1072746864.db2.gz JTZJSUHGRXRCPW-UHFFFAOYSA-N 2 2 442.524 -0.367 20 0 IBADLP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000448266193 1072808168 /nfs/dbraw/zinc/80/81/68/1072808168.db2.gz CTMHJBUTNSVHEM-LEWJYISDSA-N 2 2 430.549 -0.298 20 0 IBADLP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000448266193 1072808165 /nfs/dbraw/zinc/80/81/65/1072808165.db2.gz CTMHJBUTNSVHEM-LEWJYISDSA-N 2 2 430.549 -0.298 20 0 IBADLP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000448266194 1072807975 /nfs/dbraw/zinc/80/79/75/1072807975.db2.gz CTMHJBUTNSVHEM-NHCUHLMSSA-N 2 2 430.549 -0.298 20 0 IBADLP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000448266194 1072807969 /nfs/dbraw/zinc/80/79/69/1072807969.db2.gz CTMHJBUTNSVHEM-NHCUHLMSSA-N 2 2 430.549 -0.298 20 0 IBADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000448477993 1072819353 /nfs/dbraw/zinc/81/93/53/1072819353.db2.gz KNJUUUJMUHPDMM-UHFFFAOYSA-N 2 2 431.516 0.461 20 0 IBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000448488176 1072817494 /nfs/dbraw/zinc/81/74/94/1072817494.db2.gz AACMMSAHEJTAKF-UHFFFAOYSA-N 2 2 433.557 -0.606 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000448500197 1072820576 /nfs/dbraw/zinc/82/05/76/1072820576.db2.gz CEURVWYFFGQRGL-UHFFFAOYSA-N 2 2 434.541 -0.275 20 0 IBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000448500810 1072820361 /nfs/dbraw/zinc/82/03/61/1072820361.db2.gz HHDOYTZQVPYCKK-UHFFFAOYSA-N 2 2 434.541 -0.275 20 0 IBADLP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)CCO1 ZINC000448502375 1072821189 /nfs/dbraw/zinc/82/11/89/1072821189.db2.gz AIYMHZLKISSINX-KRWDZBQOSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)CCO1 ZINC000448502375 1072821184 /nfs/dbraw/zinc/82/11/84/1072821184.db2.gz AIYMHZLKISSINX-KRWDZBQOSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)CCO1 ZINC000448502376 1072821155 /nfs/dbraw/zinc/82/11/55/1072821155.db2.gz AIYMHZLKISSINX-QGZVFWFLSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)CCO1 ZINC000448502376 1072821153 /nfs/dbraw/zinc/82/11/53/1072821153.db2.gz AIYMHZLKISSINX-QGZVFWFLSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)CCO1 ZINC000448502496 1073314489 /nfs/dbraw/zinc/31/44/89/1073314489.db2.gz BPZPBRZRTRCGTF-KRWDZBQOSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)CCO1 ZINC000448502496 1073314486 /nfs/dbraw/zinc/31/44/86/1073314486.db2.gz BPZPBRZRTRCGTF-KRWDZBQOSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)CCO1 ZINC000448502497 1073304297 /nfs/dbraw/zinc/30/42/97/1073304297.db2.gz BPZPBRZRTRCGTF-QGZVFWFLSA-N 2 2 434.541 -0.135 20 0 IBADLP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)CCO1 ZINC000448502497 1073304293 /nfs/dbraw/zinc/30/42/93/1073304293.db2.gz BPZPBRZRTRCGTF-QGZVFWFLSA-N 2 2 434.541 -0.135 20 0 IBADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448507186 1073308848 /nfs/dbraw/zinc/30/88/48/1073308848.db2.gz FALJCZRZEHOVRD-IBGZPJMESA-N 2 2 428.537 0.443 20 0 IBADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448507187 1073308683 /nfs/dbraw/zinc/30/86/83/1073308683.db2.gz FALJCZRZEHOVRD-LJQANCHMSA-N 2 2 428.537 0.443 20 0 IBADLP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccccc1 ZINC000448529127 1072823031 /nfs/dbraw/zinc/82/30/31/1072823031.db2.gz PVTNIAXLAWKNAW-IBGZPJMESA-N 2 2 428.537 0.443 20 0 IBADLP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccccc1 ZINC000448529128 1072822452 /nfs/dbraw/zinc/82/24/52/1072822452.db2.gz PVTNIAXLAWKNAW-LJQANCHMSA-N 2 2 428.537 0.443 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448531857 1072822739 /nfs/dbraw/zinc/82/27/39/1072822739.db2.gz VUWJHUCHIQFMAS-IBGZPJMESA-N 2 2 426.521 0.545 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448531857 1072822734 /nfs/dbraw/zinc/82/27/34/1072822734.db2.gz VUWJHUCHIQFMAS-IBGZPJMESA-N 2 2 426.521 0.545 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448531858 1072822815 /nfs/dbraw/zinc/82/28/15/1072822815.db2.gz VUWJHUCHIQFMAS-LJQANCHMSA-N 2 2 426.521 0.545 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448531858 1072822798 /nfs/dbraw/zinc/82/27/98/1072822798.db2.gz VUWJHUCHIQFMAS-LJQANCHMSA-N 2 2 426.521 0.545 20 0 IBADLP Cn1c2ncn(CCC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2c(=O)n(C)c1=O ZINC000460509369 1073053645 /nfs/dbraw/zinc/05/36/45/1073053645.db2.gz SPBWMRFVRUIOTD-UHFFFAOYSA-N 2 2 445.568 -0.110 20 0 IBADLP Cn1c2ncn(CC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2c(=O)n(C)c1=O ZINC000460510936 1073053480 /nfs/dbraw/zinc/05/34/80/1073053480.db2.gz SVRASJYXYMXYIK-UHFFFAOYSA-N 2 2 431.541 -0.500 20 0 IBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccnc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000462015831 1073179254 /nfs/dbraw/zinc/17/92/54/1073179254.db2.gz KZTJHJNBVOVFBP-MOPGFXCFSA-N 2 2 445.612 -0.187 20 0 IBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccnc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000462015832 1073179178 /nfs/dbraw/zinc/17/91/78/1073179178.db2.gz KZTJHJNBVOVFBP-OALUTQOASA-N 2 2 445.612 -0.187 20 0 IBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ccn1 ZINC000462015833 1073179271 /nfs/dbraw/zinc/17/92/71/1073179271.db2.gz KZTJHJNBVOVFBP-RBUKOAKNSA-N 2 2 445.612 -0.187 20 0 IBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccnc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000462015834 1073179266 /nfs/dbraw/zinc/17/92/66/1073179266.db2.gz KZTJHJNBVOVFBP-RTBURBONSA-N 2 2 445.612 -0.187 20 0 IBADLP CN(C(=O)CNC(=O)Cc1ccc(O)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000463003022 1072482665 /nfs/dbraw/zinc/48/26/65/1072482665.db2.gz UHXQIIOTVXNYHK-UHFFFAOYSA-N 2 2 445.564 -0.252 20 0 IBADLP O=C(C[NH+]1CC[C@H](n2cccn2)C1)N1CCN(C(=O)C[N@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000463456261 1072510748 /nfs/dbraw/zinc/51/07/48/1072510748.db2.gz ZKQLVWYJLMXQAY-BGYRXZFFSA-N 2 2 440.552 -0.056 20 0 IBADLP O=C(C[NH+]1CC[C@H](n2cccn2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000463456261 1072510738 /nfs/dbraw/zinc/51/07/38/1072510738.db2.gz ZKQLVWYJLMXQAY-BGYRXZFFSA-N 2 2 440.552 -0.056 20 0 IBADLP O=C(C[NH+]1CC[C@@H](n2cccn2)C1)N1CCN(C(=O)C[N@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000463456261 1072510729 /nfs/dbraw/zinc/51/07/29/1072510729.db2.gz ZKQLVWYJLMXQAY-BGYRXZFFSA-N 2 2 440.552 -0.056 20 0 IBADLP O=C(C[NH+]1CC[C@@H](n2cccn2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000463456261 1072510714 /nfs/dbraw/zinc/51/07/14/1072510714.db2.gz ZKQLVWYJLMXQAY-BGYRXZFFSA-N 2 2 440.552 -0.056 20 0 IBADLP CN(C(=O)C(=O)Nc1cn(C)nc1C1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000463784402 1072522338 /nfs/dbraw/zinc/52/23/38/1072522338.db2.gz SCGCQSPLYVZZBK-UHFFFAOYSA-N 2 2 445.568 -0.067 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000464498900 1072544055 /nfs/dbraw/zinc/54/40/55/1072544055.db2.gz QAFBFUKBMXDRDG-FNAHDJPLSA-N 2 2 428.618 -0.453 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000464498900 1072544039 /nfs/dbraw/zinc/54/40/39/1072544039.db2.gz QAFBFUKBMXDRDG-FNAHDJPLSA-N 2 2 428.618 -0.453 20 0 IBADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000465011260 1072565001 /nfs/dbraw/zinc/56/50/01/1072565001.db2.gz PMBPETDHZRLQMV-GOSISDBHSA-N 2 2 430.619 -0.216 20 0 IBADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000465011260 1072564994 /nfs/dbraw/zinc/56/49/94/1072564994.db2.gz PMBPETDHZRLQMV-GOSISDBHSA-N 2 2 430.619 -0.216 20 0 IBADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000465011261 1072564898 /nfs/dbraw/zinc/56/48/98/1072564898.db2.gz PMBPETDHZRLQMV-SFHVURJKSA-N 2 2 430.619 -0.216 20 0 IBADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000465011261 1072564887 /nfs/dbraw/zinc/56/48/87/1072564887.db2.gz PMBPETDHZRLQMV-SFHVURJKSA-N 2 2 430.619 -0.216 20 0 IBADLP C[C@](O)(CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCOCC1 ZINC000465896048 1073159211 /nfs/dbraw/zinc/15/92/11/1073159211.db2.gz PANTXHSYQZRCQL-NRFANRHFSA-N 2 2 435.573 -0.239 20 0 IBADLP C[C@@](O)(CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCOCC1 ZINC000465896055 1073159148 /nfs/dbraw/zinc/15/91/48/1073159148.db2.gz PANTXHSYQZRCQL-OAQYLSRUSA-N 2 2 435.573 -0.239 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952285 1073166801 /nfs/dbraw/zinc/16/68/01/1073166801.db2.gz RCALCOSCNGJMPK-HNNXBMFYSA-N 2 2 429.529 -0.218 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952285 1073166796 /nfs/dbraw/zinc/16/67/96/1073166796.db2.gz RCALCOSCNGJMPK-HNNXBMFYSA-N 2 2 429.529 -0.218 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952294 1073166870 /nfs/dbraw/zinc/16/68/70/1073166870.db2.gz RCALCOSCNGJMPK-OAHLLOKOSA-N 2 2 429.529 -0.218 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952294 1073166863 /nfs/dbraw/zinc/16/68/63/1073166863.db2.gz RCALCOSCNGJMPK-OAHLLOKOSA-N 2 2 429.529 -0.218 20 0 IBADLP Cc1[nH+]ccn1CCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466015718 1073188878 /nfs/dbraw/zinc/18/88/78/1073188878.db2.gz JHRYKUSMPHFRCT-UHFFFAOYSA-N 2 2 427.575 -0.209 20 0 IBADLP CC[NH+]1CCC(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000466093833 1073196002 /nfs/dbraw/zinc/19/60/02/1073196002.db2.gz KVYXCRUUPFZJCK-UHFFFAOYSA-N 2 2 430.619 -0.072 20 0 IBADLP C[NH+]1CCC(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)([NH+]2CCCCC2)CC1 ZINC000466140087 1073200409 /nfs/dbraw/zinc/20/04/09/1073200409.db2.gz FRVWGFFEJUFZOF-UHFFFAOYSA-N 2 2 433.561 -0.523 20 0 IBADLP C[NH+](C)CCc1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000467159826 1074525137 /nfs/dbraw/zinc/52/51/37/1074525137.db2.gz COMSZBOJHURHPX-UHFFFAOYSA-N 2 2 428.537 0.574 20 0 IBADLP C[NH+](C)CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000467633145 1072714195 /nfs/dbraw/zinc/71/41/95/1072714195.db2.gz AOLBLMSVIJTVAM-MSOLQXFVSA-N 2 2 444.598 -0.866 20 0 IBADLP C[NH+](C)CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000467633146 1072714233 /nfs/dbraw/zinc/71/42/33/1072714233.db2.gz AOLBLMSVIJTVAM-QZTJIDSGSA-N 2 2 444.598 -0.866 20 0 IBADLP C[NH+](C)CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000467633147 1072713993 /nfs/dbraw/zinc/71/39/93/1072713993.db2.gz AOLBLMSVIJTVAM-ROUUACIJSA-N 2 2 444.598 -0.866 20 0 IBADLP C[NH+](C)CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000467633148 1072714050 /nfs/dbraw/zinc/71/40/50/1072714050.db2.gz AOLBLMSVIJTVAM-ZWKOTPCHSA-N 2 2 444.598 -0.866 20 0 IBADLP CNc1nc(NC[C@@]2([NH+](C)C)CCSC2)nc(NC[C@]2([NH+](C)C)CCSC2)[nH+]1 ZINC000467801944 1074548712 /nfs/dbraw/zinc/54/87/12/1074548712.db2.gz YZNDLMWMTBNNKQ-HDICACEKSA-N 3 2 426.660 -0.123 20 0 IBADLP CNc1nc(NC[C@]2([NH+](C)C)CCSC2)nc(NC[C@@]2([NH+](C)C)CCSC2)[nH+]1 ZINC000467801944 1074548706 /nfs/dbraw/zinc/54/87/06/1074548706.db2.gz YZNDLMWMTBNNKQ-HDICACEKSA-N 3 2 426.660 -0.123 20 0 IBADLP CNc1nc(NC[C@]2([NH+](C)C)CCSC2)nc(NC[C@]2([NH+](C)C)CCSC2)[nH+]1 ZINC000467801945 1074548730 /nfs/dbraw/zinc/54/87/30/1074548730.db2.gz YZNDLMWMTBNNKQ-QZTJIDSGSA-N 3 2 426.660 -0.123 20 0 IBADLP CNc1nc(NC[C@@]2([NH+](C)C)CCSC2)nc(NC[C@@]2([NH+](C)C)CCSC2)[nH+]1 ZINC000467801946 1074548765 /nfs/dbraw/zinc/54/87/65/1074548765.db2.gz YZNDLMWMTBNNKQ-ROUUACIJSA-N 3 2 426.660 -0.123 20 0 IBADLP CN(C(=O)[C@](C)(O)Cn1ccccc1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468306927 1074567811 /nfs/dbraw/zinc/56/78/11/1074567811.db2.gz GSXAVOJYILTLTM-JOCHJYFZSA-N 2 2 433.553 -0.704 20 0 IBADLP CN(C(=O)[C@@](C)(O)Cn1ccccc1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468306928 1074567676 /nfs/dbraw/zinc/56/76/76/1074567676.db2.gz GSXAVOJYILTLTM-QFIPXVFZSA-N 2 2 433.553 -0.704 20 0 IBADLP Cc1ccn(C[C@@](C)(O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c(=O)c1 ZINC000468310069 1074567830 /nfs/dbraw/zinc/56/78/30/1074567830.db2.gz QQGSFJWAVZRREM-HSZRJFAPSA-N 2 2 447.580 -0.395 20 0 IBADLP Cc1ccn(C[C@](C)(O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c(=O)c1 ZINC000468310070 1074567597 /nfs/dbraw/zinc/56/75/97/1074567597.db2.gz QQGSFJWAVZRREM-QHCPKHFHSA-N 2 2 447.580 -0.395 20 0 IBADLP Cc1nnc(CN(C)CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1C ZINC000468813609 1074590509 /nfs/dbraw/zinc/59/05/09/1074590509.db2.gz CYYKQQIPRMMZRL-UHFFFAOYSA-N 2 2 434.589 -0.748 20 0 IBADLP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000468868928 1074592581 /nfs/dbraw/zinc/59/25/81/1074592581.db2.gz HFXGXRSYPSIGAG-MSOLQXFVSA-N 2 2 445.568 -0.192 20 0 IBADLP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000468868928 1074592569 /nfs/dbraw/zinc/59/25/69/1074592569.db2.gz HFXGXRSYPSIGAG-MSOLQXFVSA-N 2 2 445.568 -0.192 20 0 IBADLP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000468869221 1074592710 /nfs/dbraw/zinc/59/27/10/1074592710.db2.gz HFXGXRSYPSIGAG-QZTJIDSGSA-N 2 2 445.568 -0.192 20 0 IBADLP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000468869221 1074592706 /nfs/dbraw/zinc/59/27/06/1074592706.db2.gz HFXGXRSYPSIGAG-QZTJIDSGSA-N 2 2 445.568 -0.192 20 0 IBADLP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000468869440 1074592646 /nfs/dbraw/zinc/59/26/46/1074592646.db2.gz HFXGXRSYPSIGAG-ROUUACIJSA-N 2 2 445.568 -0.192 20 0 IBADLP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000468869440 1074592642 /nfs/dbraw/zinc/59/26/42/1074592642.db2.gz HFXGXRSYPSIGAG-ROUUACIJSA-N 2 2 445.568 -0.192 20 0 IBADLP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000468869671 1074592667 /nfs/dbraw/zinc/59/26/67/1074592667.db2.gz HFXGXRSYPSIGAG-ZWKOTPCHSA-N 2 2 445.568 -0.192 20 0 IBADLP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000468869671 1074592660 /nfs/dbraw/zinc/59/26/60/1074592660.db2.gz HFXGXRSYPSIGAG-ZWKOTPCHSA-N 2 2 445.568 -0.192 20 0 IBADLP CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468889859 1074593555 /nfs/dbraw/zinc/59/35/55/1074593555.db2.gz IJFHAXUCQHLHSM-APWZRJJASA-N 2 2 445.630 -0.353 20 0 IBADLP CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468889912 1074593493 /nfs/dbraw/zinc/59/34/93/1074593493.db2.gz IJFHAXUCQHLHSM-LPHOPBHVSA-N 2 2 445.630 -0.353 20 0 IBADLP CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468889982 1074593519 /nfs/dbraw/zinc/59/35/19/1074593519.db2.gz IJFHAXUCQHLHSM-QFBILLFUSA-N 2 2 445.630 -0.353 20 0 IBADLP CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468892049 1074593607 /nfs/dbraw/zinc/59/36/07/1074593607.db2.gz IJFHAXUCQHLHSM-VQIMIIECSA-N 2 2 445.630 -0.353 20 0 IBADLP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468895339 1074593910 /nfs/dbraw/zinc/59/39/10/1074593910.db2.gz ITOJSGRSXRZPCS-GOSISDBHSA-N 3 2 436.601 -0.907 20 0 IBADLP CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468895562 1074593929 /nfs/dbraw/zinc/59/39/29/1074593929.db2.gz ITOJSGRSXRZPCS-SFHVURJKSA-N 3 2 436.601 -0.907 20 0 IBADLP CCN(CC)S(=O)(=O)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468967752 1074595736 /nfs/dbraw/zinc/59/57/36/1074595736.db2.gz NPWKVNOADGWRLC-UHFFFAOYSA-N 2 2 431.603 -0.645 20 0 IBADLP CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000469597119 1074624279 /nfs/dbraw/zinc/62/42/79/1074624279.db2.gz PVFMTVYGZMVMLV-UHFFFAOYSA-N 2 2 445.630 -0.113 20 0 IBADLP C[NH+]1CCC(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)([NH+]2CCCCC2)CC1 ZINC000469601538 1074624154 /nfs/dbraw/zinc/62/41/54/1074624154.db2.gz WRGAOQLUCXIYFA-UHFFFAOYSA-N 2 2 440.570 -0.542 20 0 IBADLP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000469620600 1074624836 /nfs/dbraw/zinc/62/48/36/1074624836.db2.gz ITBDIEVNJNMODW-UHFFFAOYSA-N 2 2 435.525 -0.548 20 0 IBADLP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000469620600 1074624833 /nfs/dbraw/zinc/62/48/33/1074624833.db2.gz ITBDIEVNJNMODW-UHFFFAOYSA-N 2 2 435.525 -0.548 20 0 IBADLP COC[C@](C)(CNC(=O)[C@H]1C[NH+](C(C)C)CCO1)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000469666054 1074625820 /nfs/dbraw/zinc/62/58/20/1074625820.db2.gz VVWSFFJTPOCXEX-LQWHRVPQSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@H]1C[NH+](C(C)C)CCO1)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000469666054 1074625817 /nfs/dbraw/zinc/62/58/17/1074625817.db2.gz VVWSFFJTPOCXEX-LQWHRVPQSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1)NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000469666054 1074625815 /nfs/dbraw/zinc/62/58/15/1074625815.db2.gz VVWSFFJTPOCXEX-LQWHRVPQSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000469666054 1074625811 /nfs/dbraw/zinc/62/58/11/1074625811.db2.gz VVWSFFJTPOCXEX-LQWHRVPQSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@H]1C[NH+](C(C)C)CCO1)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000469666055 1074625761 /nfs/dbraw/zinc/62/57/61/1074625761.db2.gz VVWSFFJTPOCXEX-OPYAIIAOSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@H]1C[NH+](C(C)C)CCO1)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000469666055 1074625756 /nfs/dbraw/zinc/62/57/56/1074625756.db2.gz VVWSFFJTPOCXEX-OPYAIIAOSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1)NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000469666055 1074625751 /nfs/dbraw/zinc/62/57/51/1074625751.db2.gz VVWSFFJTPOCXEX-OPYAIIAOSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000469666055 1074625746 /nfs/dbraw/zinc/62/57/46/1074625746.db2.gz VVWSFFJTPOCXEX-OPYAIIAOSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000469666056 1074625886 /nfs/dbraw/zinc/62/58/86/1074625886.db2.gz VVWSFFJTPOCXEX-UEXGIBASSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000469666056 1074625882 /nfs/dbraw/zinc/62/58/82/1074625882.db2.gz VVWSFFJTPOCXEX-UEXGIBASSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000469666056 1074625880 /nfs/dbraw/zinc/62/58/80/1074625880.db2.gz VVWSFFJTPOCXEX-UEXGIBASSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000469666056 1074625878 /nfs/dbraw/zinc/62/58/78/1074625878.db2.gz VVWSFFJTPOCXEX-UEXGIBASSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000469666057 1074625786 /nfs/dbraw/zinc/62/57/86/1074625786.db2.gz VVWSFFJTPOCXEX-WFXMLNOXSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000469666057 1074625783 /nfs/dbraw/zinc/62/57/83/1074625783.db2.gz VVWSFFJTPOCXEX-WFXMLNOXSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000469666057 1074625780 /nfs/dbraw/zinc/62/57/80/1074625780.db2.gz VVWSFFJTPOCXEX-WFXMLNOXSA-N 2 2 428.574 -0.158 20 0 IBADLP COC[C@](C)(CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000469666057 1074625775 /nfs/dbraw/zinc/62/57/75/1074625775.db2.gz VVWSFFJTPOCXEX-WFXMLNOXSA-N 2 2 428.574 -0.158 20 0 IBADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1=O ZINC000469847590 1074629505 /nfs/dbraw/zinc/62/95/05/1074629505.db2.gz YPPMEQKJGWOOCR-KRWDZBQOSA-N 2 2 431.541 -0.628 20 0 IBADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1=O ZINC000469847590 1074629500 /nfs/dbraw/zinc/62/95/00/1074629500.db2.gz YPPMEQKJGWOOCR-KRWDZBQOSA-N 2 2 431.541 -0.628 20 0 IBADLP C[NH+](C)CCN1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1=O ZINC000469847591 1074629752 /nfs/dbraw/zinc/62/97/52/1074629752.db2.gz YPPMEQKJGWOOCR-QGZVFWFLSA-N 2 2 431.541 -0.628 20 0 IBADLP C[NH+](C)CCN1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1=O ZINC000469847591 1074629750 /nfs/dbraw/zinc/62/97/50/1074629750.db2.gz YPPMEQKJGWOOCR-QGZVFWFLSA-N 2 2 431.541 -0.628 20 0 IBADLP CC[N@@H+](CCO)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000470027311 1074639451 /nfs/dbraw/zinc/63/94/51/1074639451.db2.gz JFYWYCBWMZUHQZ-UHFFFAOYSA-N 2 2 428.559 -0.853 20 0 IBADLP CC[N@H+](CCO)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000470027311 1074639450 /nfs/dbraw/zinc/63/94/50/1074639450.db2.gz JFYWYCBWMZUHQZ-UHFFFAOYSA-N 2 2 428.559 -0.853 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1 ZINC000470403282 1074653119 /nfs/dbraw/zinc/65/31/19/1074653119.db2.gz JCIQZUIGCAXIID-UHFFFAOYSA-N 2 2 433.517 -0.266 20 0 IBADLP C[C@@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000470912762 1074664978 /nfs/dbraw/zinc/66/49/78/1074664978.db2.gz JCDNQPHLTXFYAI-INIZCTEOSA-N 2 2 432.525 -0.677 20 0 IBADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000470912762 1074664977 /nfs/dbraw/zinc/66/49/77/1074664977.db2.gz JCDNQPHLTXFYAI-INIZCTEOSA-N 2 2 432.525 -0.677 20 0 IBADLP C[C@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000470912763 1074664991 /nfs/dbraw/zinc/66/49/91/1074664991.db2.gz JCDNQPHLTXFYAI-MRXNPFEDSA-N 2 2 432.525 -0.677 20 0 IBADLP C[C@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000470912763 1074664989 /nfs/dbraw/zinc/66/49/89/1074664989.db2.gz JCDNQPHLTXFYAI-MRXNPFEDSA-N 2 2 432.525 -0.677 20 0 IBADLP C[C@@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000470935748 1074667835 /nfs/dbraw/zinc/66/78/35/1074667835.db2.gz DDUWKENKWBRNOU-KRWDZBQOSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000470935748 1074667822 /nfs/dbraw/zinc/66/78/22/1074667822.db2.gz DDUWKENKWBRNOU-KRWDZBQOSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000470935749 1074667947 /nfs/dbraw/zinc/66/79/47/1074667947.db2.gz DDUWKENKWBRNOU-QGZVFWFLSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000470935749 1074667945 /nfs/dbraw/zinc/66/79/45/1074667945.db2.gz DDUWKENKWBRNOU-QGZVFWFLSA-N 2 2 431.537 -0.072 20 0 IBADLP C[C@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000470939407 1074668304 /nfs/dbraw/zinc/66/83/04/1074668304.db2.gz FCTAQLNHFYWTDP-GOSISDBHSA-N 2 2 445.564 -0.143 20 0 IBADLP C[C@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000470939407 1074668300 /nfs/dbraw/zinc/66/83/00/1074668300.db2.gz FCTAQLNHFYWTDP-GOSISDBHSA-N 2 2 445.564 -0.143 20 0 IBADLP C[C@@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000470939408 1074668419 /nfs/dbraw/zinc/66/84/19/1074668419.db2.gz FCTAQLNHFYWTDP-SFHVURJKSA-N 2 2 445.564 -0.143 20 0 IBADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000470939408 1074668411 /nfs/dbraw/zinc/66/84/11/1074668411.db2.gz FCTAQLNHFYWTDP-SFHVURJKSA-N 2 2 445.564 -0.143 20 0 IBADLP Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC000471223441 1070834792 /nfs/dbraw/zinc/83/47/92/1070834792.db2.gz GXYRFAAQXISTMD-UHFFFAOYSA-N 2 2 436.557 -0.735 20 0 IBADLP C[NH+](C)CCOCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000471636083 1070956788 /nfs/dbraw/zinc/95/67/88/1070956788.db2.gz QKVZDWQRCSVTJS-UHFFFAOYSA-N 2 2 428.559 -0.589 20 0 IBADLP Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000472091473 1071059784 /nfs/dbraw/zinc/05/97/84/1071059784.db2.gz ADRLTUXWYWEKJP-HSZRJFAPSA-N 2 2 447.580 -0.395 20 0 IBADLP Cc1cccc(=O)n1C[C@](C)(O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000472091474 1071059955 /nfs/dbraw/zinc/05/99/55/1071059955.db2.gz ADRLTUXWYWEKJP-QHCPKHFHSA-N 2 2 447.580 -0.395 20 0 IBADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000472688588 1071329425 /nfs/dbraw/zinc/32/94/25/1071329425.db2.gz UQMKBXOESADALO-UHFFFAOYSA-N 2 2 445.611 -0.453 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000473433590 1071544946 /nfs/dbraw/zinc/54/49/46/1071544946.db2.gz IKYNYLLWMOFKLC-UHFFFAOYSA-N 2 2 432.525 -0.252 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000473435836 1071544899 /nfs/dbraw/zinc/54/48/99/1071544899.db2.gz SOWPRYZSSPDWLO-UHFFFAOYSA-N 2 2 444.580 -0.005 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000473873144 1072225124 /nfs/dbraw/zinc/22/51/24/1072225124.db2.gz FTBGFTSJRXMZMZ-UHFFFAOYSA-N 2 2 432.573 -0.206 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC000475685602 1072849865 /nfs/dbraw/zinc/84/98/65/1072849865.db2.gz PEEYAQGQDREUQF-UHFFFAOYSA-N 2 2 433.517 -0.266 20 0 IBADLP C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476714909 1073047535 /nfs/dbraw/zinc/04/75/35/1073047535.db2.gz JGRTVJGWERHSKY-HNNXBMFYSA-N 2 2 439.582 -0.063 20 0 IBADLP C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000476714909 1073047527 /nfs/dbraw/zinc/04/75/27/1073047527.db2.gz JGRTVJGWERHSKY-HNNXBMFYSA-N 2 2 439.582 -0.063 20 0 IBADLP C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000476714916 1073047599 /nfs/dbraw/zinc/04/75/99/1073047599.db2.gz JGRTVJGWERHSKY-OAHLLOKOSA-N 2 2 439.582 -0.063 20 0 IBADLP C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000476714916 1073047592 /nfs/dbraw/zinc/04/75/92/1073047592.db2.gz JGRTVJGWERHSKY-OAHLLOKOSA-N 2 2 439.582 -0.063 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000476845545 1073061796 /nfs/dbraw/zinc/06/17/96/1073061796.db2.gz FUFWMWALPIFUNT-BDXSIMOUSA-N 2 2 430.615 -0.453 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000476845545 1073061789 /nfs/dbraw/zinc/06/17/89/1073061789.db2.gz FUFWMWALPIFUNT-BDXSIMOUSA-N 2 2 430.615 -0.453 20 0 IBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476845552 1073061764 /nfs/dbraw/zinc/06/17/64/1073061764.db2.gz FUFWMWALPIFUNT-FZDBZEDMSA-N 2 2 430.615 -0.453 20 0 IBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476845552 1073061755 /nfs/dbraw/zinc/06/17/55/1073061755.db2.gz FUFWMWALPIFUNT-FZDBZEDMSA-N 2 2 430.615 -0.453 20 0 IBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CSCC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476845552 1073061747 /nfs/dbraw/zinc/06/17/47/1073061747.db2.gz FUFWMWALPIFUNT-FZDBZEDMSA-N 2 2 430.615 -0.453 20 0 IBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CSCC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476845552 1073061737 /nfs/dbraw/zinc/06/17/37/1073061737.db2.gz FUFWMWALPIFUNT-FZDBZEDMSA-N 2 2 430.615 -0.453 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476845554 1073061977 /nfs/dbraw/zinc/06/19/77/1073061977.db2.gz FUFWMWALPIFUNT-MHORFTMASA-N 2 2 430.615 -0.453 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476845554 1073061971 /nfs/dbraw/zinc/06/19/71/1073061971.db2.gz FUFWMWALPIFUNT-MHORFTMASA-N 2 2 430.615 -0.453 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000476845554 1073061967 /nfs/dbraw/zinc/06/19/67/1073061967.db2.gz FUFWMWALPIFUNT-MHORFTMASA-N 2 2 430.615 -0.453 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000476845554 1073061963 /nfs/dbraw/zinc/06/19/63/1073061963.db2.gz FUFWMWALPIFUNT-MHORFTMASA-N 2 2 430.615 -0.453 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000476845556 1073061892 /nfs/dbraw/zinc/06/18/92/1073061892.db2.gz FUFWMWALPIFUNT-XSLAGTTESA-N 2 2 430.615 -0.453 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000476845556 1073061886 /nfs/dbraw/zinc/06/18/86/1073061886.db2.gz FUFWMWALPIFUNT-XSLAGTTESA-N 2 2 430.615 -0.453 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)O2)[C@@H](C)C1 ZINC000476857387 1073061143 /nfs/dbraw/zinc/06/11/43/1073061143.db2.gz PRKBWULFOMFRJR-APNJTCTJSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)O2)[C@@H](C)C1 ZINC000476857387 1073061140 /nfs/dbraw/zinc/06/11/40/1073061140.db2.gz PRKBWULFOMFRJR-APNJTCTJSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@H](C)C1 ZINC000476857387 1073061136 /nfs/dbraw/zinc/06/11/36/1073061136.db2.gz PRKBWULFOMFRJR-APNJTCTJSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@H](C)C1 ZINC000476857387 1073061132 /nfs/dbraw/zinc/06/11/32/1073061132.db2.gz PRKBWULFOMFRJR-APNJTCTJSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)O2)[C@@H](C)C1 ZINC000476857393 1073061208 /nfs/dbraw/zinc/06/12/08/1073061208.db2.gz PRKBWULFOMFRJR-DWIKVQACSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)O2)[C@@H](C)C1 ZINC000476857393 1073061200 /nfs/dbraw/zinc/06/12/00/1073061200.db2.gz PRKBWULFOMFRJR-DWIKVQACSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@H](C)C1 ZINC000476857393 1073061191 /nfs/dbraw/zinc/06/11/91/1073061191.db2.gz PRKBWULFOMFRJR-DWIKVQACSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@H](C)C1 ZINC000476857393 1073061182 /nfs/dbraw/zinc/06/11/82/1073061182.db2.gz PRKBWULFOMFRJR-DWIKVQACSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)O2)[C@H](C)C1 ZINC000476857395 1073061350 /nfs/dbraw/zinc/06/13/50/1073061350.db2.gz PRKBWULFOMFRJR-JWLCQNFESA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)O2)[C@H](C)C1 ZINC000476857395 1073061343 /nfs/dbraw/zinc/06/13/43/1073061343.db2.gz PRKBWULFOMFRJR-JWLCQNFESA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)O2)[C@H](C)C1 ZINC000476857395 1073061336 /nfs/dbraw/zinc/06/13/36/1073061336.db2.gz PRKBWULFOMFRJR-JWLCQNFESA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)O2)[C@H](C)C1 ZINC000476857395 1073061330 /nfs/dbraw/zinc/06/13/30/1073061330.db2.gz PRKBWULFOMFRJR-JWLCQNFESA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@@H](C)C1 ZINC000476857397 1073061024 /nfs/dbraw/zinc/06/10/24/1073061024.db2.gz PRKBWULFOMFRJR-RPZLJYRGSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@@H](C)C1 ZINC000476857397 1073061021 /nfs/dbraw/zinc/06/10/21/1073061021.db2.gz PRKBWULFOMFRJR-RPZLJYRGSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@@H](C)C1 ZINC000476857397 1073061014 /nfs/dbraw/zinc/06/10/14/1073061014.db2.gz PRKBWULFOMFRJR-RPZLJYRGSA-N 2 2 440.585 -0.639 20 0 IBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)O2)[C@@H](C)C1 ZINC000476857397 1073061006 /nfs/dbraw/zinc/06/10/06/1073061006.db2.gz PRKBWULFOMFRJR-RPZLJYRGSA-N 2 2 440.585 -0.639 20 0 IBADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000477024168 1073323249 /nfs/dbraw/zinc/32/32/49/1073323249.db2.gz AFXBWSZTPJQNLW-KRWDZBQOSA-N 2 2 433.557 -0.192 20 0 IBADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000477024168 1073323242 /nfs/dbraw/zinc/32/32/42/1073323242.db2.gz AFXBWSZTPJQNLW-KRWDZBQOSA-N 2 2 433.557 -0.192 20 0 IBADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000477024175 1073323099 /nfs/dbraw/zinc/32/30/99/1073323099.db2.gz AFXBWSZTPJQNLW-QGZVFWFLSA-N 2 2 433.557 -0.192 20 0 IBADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000477024175 1073323090 /nfs/dbraw/zinc/32/30/90/1073323090.db2.gz AFXBWSZTPJQNLW-QGZVFWFLSA-N 2 2 433.557 -0.192 20 0 IBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000477617389 1073112617 /nfs/dbraw/zinc/11/26/17/1073112617.db2.gz RLLWPNAXVBZWRH-UHFFFAOYSA-N 2 2 425.574 -0.384 20 0 IBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000477617389 1073112615 /nfs/dbraw/zinc/11/26/15/1073112615.db2.gz RLLWPNAXVBZWRH-UHFFFAOYSA-N 2 2 425.574 -0.384 20 0 IBADLP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000477644827 1073113551 /nfs/dbraw/zinc/11/35/51/1073113551.db2.gz MAUUBJRTJMJDDL-GOSISDBHSA-N 2 2 432.569 -0.065 20 0 IBADLP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000477644833 1073113649 /nfs/dbraw/zinc/11/36/49/1073113649.db2.gz MAUUBJRTJMJDDL-SFHVURJKSA-N 2 2 432.569 -0.065 20 0 IBADLP COCC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000477653199 1073114007 /nfs/dbraw/zinc/11/40/07/1073114007.db2.gz OQIDZUWUTIGZQU-UHFFFAOYSA-N 2 2 446.552 -0.537 20 0 IBADLP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000477670219 1073115142 /nfs/dbraw/zinc/11/51/42/1073115142.db2.gz BWDBGLYYQPHPIC-UHFFFAOYSA-N 2 2 430.513 -0.761 20 0 IBADLP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1nn(C)cc1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000477797448 1073309843 /nfs/dbraw/zinc/30/98/43/1073309843.db2.gz CQCOGRAKUKODEK-DLBZAZTESA-N 2 2 436.557 -0.089 20 0 IBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cn(C)nc1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000477797450 1073309634 /nfs/dbraw/zinc/30/96/34/1073309634.db2.gz CQCOGRAKUKODEK-IAGOWNOFSA-N 2 2 436.557 -0.089 20 0 IBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cn(C)nc1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000477797453 1073352915 /nfs/dbraw/zinc/35/29/15/1073352915.db2.gz CQCOGRAKUKODEK-IRXDYDNUSA-N 2 2 436.557 -0.089 20 0 IBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cn(C)nc1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000477797455 1073309573 /nfs/dbraw/zinc/30/95/73/1073309573.db2.gz CQCOGRAKUKODEK-SJORKVTESA-N 2 2 436.557 -0.089 20 0 IBADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000478832579 1073248152 /nfs/dbraw/zinc/24/81/52/1073248152.db2.gz YTXKDDVLAUGSHW-KRWDZBQOSA-N 2 2 433.578 -0.013 20 0 IBADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000478832579 1073248144 /nfs/dbraw/zinc/24/81/44/1073248144.db2.gz YTXKDDVLAUGSHW-KRWDZBQOSA-N 2 2 433.578 -0.013 20 0 IBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000478832579 1073248139 /nfs/dbraw/zinc/24/81/39/1073248139.db2.gz YTXKDDVLAUGSHW-KRWDZBQOSA-N 2 2 433.578 -0.013 20 0 IBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000478832579 1073248129 /nfs/dbraw/zinc/24/81/29/1073248129.db2.gz YTXKDDVLAUGSHW-KRWDZBQOSA-N 2 2 433.578 -0.013 20 0 IBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000478832583 1073248284 /nfs/dbraw/zinc/24/82/84/1073248284.db2.gz YTXKDDVLAUGSHW-QGZVFWFLSA-N 2 2 433.578 -0.013 20 0 IBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000478832583 1073248279 /nfs/dbraw/zinc/24/82/79/1073248279.db2.gz YTXKDDVLAUGSHW-QGZVFWFLSA-N 2 2 433.578 -0.013 20 0 IBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000478832583 1073248275 /nfs/dbraw/zinc/24/82/75/1073248275.db2.gz YTXKDDVLAUGSHW-QGZVFWFLSA-N 2 2 433.578 -0.013 20 0 IBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000478832583 1073248268 /nfs/dbraw/zinc/24/82/68/1073248268.db2.gz YTXKDDVLAUGSHW-QGZVFWFLSA-N 2 2 433.578 -0.013 20 0 IBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000478890743 1073250575 /nfs/dbraw/zinc/25/05/75/1073250575.db2.gz ZEGABOUYJYEYJP-UHFFFAOYSA-N 2 2 433.578 -0.011 20 0 IBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000478890743 1073250567 /nfs/dbraw/zinc/25/05/67/1073250567.db2.gz ZEGABOUYJYEYJP-UHFFFAOYSA-N 2 2 433.578 -0.011 20 0 IBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000478908151 1073251576 /nfs/dbraw/zinc/25/15/76/1073251576.db2.gz VXXYRCCNAFFDRG-IBGZPJMESA-N 2 2 430.553 -0.696 20 0 IBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000478908151 1073251569 /nfs/dbraw/zinc/25/15/69/1073251569.db2.gz VXXYRCCNAFFDRG-IBGZPJMESA-N 2 2 430.553 -0.696 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000478908152 1073251426 /nfs/dbraw/zinc/25/14/26/1073251426.db2.gz VXXYRCCNAFFDRG-LJQANCHMSA-N 2 2 430.553 -0.696 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000478908152 1073251422 /nfs/dbraw/zinc/25/14/22/1073251422.db2.gz VXXYRCCNAFFDRG-LJQANCHMSA-N 2 2 430.553 -0.696 20 0 IBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000479921566 1073300202 /nfs/dbraw/zinc/30/02/02/1073300202.db2.gz UWSCBCNEMPKLQF-PMACEKPBSA-N 2 2 444.580 -0.111 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000479921888 1073299720 /nfs/dbraw/zinc/29/97/20/1073299720.db2.gz UWSCBCNEMPKLQF-UXHICEINSA-N 2 2 444.580 -0.111 20 0 IBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000479921889 1073299795 /nfs/dbraw/zinc/29/97/95/1073299795.db2.gz UWSCBCNEMPKLQF-VQTJNVASSA-N 2 2 444.580 -0.111 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000479921890 1073300326 /nfs/dbraw/zinc/30/03/26/1073300326.db2.gz UWSCBCNEMPKLQF-WOJBJXKFSA-N 2 2 444.580 -0.111 20 0 IBADLP C[C@H](CN=c1cc(NC[C@H](C)N2CC[NH+](C)CC2)n2[nH]cnc2n1)N1CC[NH+](C)CC1 ZINC000479958035 1073213866 /nfs/dbraw/zinc/21/38/66/1073213866.db2.gz BYAVKTNBTZITMH-MSOLQXFVSA-N 2 2 430.605 -0.358 20 0 IBADLP C[C@H](CN=c1cc(NC[C@@H](C)N2CC[NH+](C)CC2)n2[nH]cnc2n1)N1CC[NH+](C)CC1 ZINC000479958036 1073213850 /nfs/dbraw/zinc/21/38/50/1073213850.db2.gz BYAVKTNBTZITMH-QZTJIDSGSA-N 2 2 430.605 -0.358 20 0 IBADLP C[C@@H](CN=c1cc(NC[C@H](C)N2CC[NH+](C)CC2)n2[nH]cnc2n1)N1CC[NH+](C)CC1 ZINC000479958037 1073213821 /nfs/dbraw/zinc/21/38/21/1073213821.db2.gz BYAVKTNBTZITMH-ROUUACIJSA-N 2 2 430.605 -0.358 20 0 IBADLP C[C@H](CNc1cc(=NC[C@H](C)N2CC[NH+](C)CC2)nc2nc[nH]n21)N1CC[NH+](C)CC1 ZINC000479958038 1073213785 /nfs/dbraw/zinc/21/37/85/1073213785.db2.gz BYAVKTNBTZITMH-ZWKOTPCHSA-N 2 2 430.605 -0.358 20 0 IBADLP C[C@H](CN1CC[NH+](C)CC1)N=c1cc(N[C@@H](C)CN2CC[NH+](C)CC2)n2[nH]cnc2n1 ZINC000479965984 1073213875 /nfs/dbraw/zinc/21/38/75/1073213875.db2.gz QNYPPGOLPHWIAC-MSOLQXFVSA-N 2 2 430.605 -0.358 20 0 IBADLP C[C@H](CN1CC[NH+](C)CC1)N=c1cc(N[C@H](C)CN2CC[NH+](C)CC2)n2[nH]cnc2n1 ZINC000479965985 1073213714 /nfs/dbraw/zinc/21/37/14/1073213714.db2.gz QNYPPGOLPHWIAC-QZTJIDSGSA-N 2 2 430.605 -0.358 20 0 IBADLP C[C@@H](CN1CC[NH+](C)CC1)N=c1cc(N[C@@H](C)CN2CC[NH+](C)CC2)n2[nH]cnc2n1 ZINC000479965986 1073213693 /nfs/dbraw/zinc/21/36/93/1073213693.db2.gz QNYPPGOLPHWIAC-ROUUACIJSA-N 2 2 430.605 -0.358 20 0 IBADLP C[C@H](CN1CC[NH+](C)CC1)Nc1cc(=N[C@@H](C)CN2CC[NH+](C)CC2)nc2nc[nH]n21 ZINC000479965987 1073213749 /nfs/dbraw/zinc/21/37/49/1073213749.db2.gz QNYPPGOLPHWIAC-ZWKOTPCHSA-N 2 2 430.605 -0.358 20 0 IBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000479992469 1073309082 /nfs/dbraw/zinc/30/90/82/1073309082.db2.gz VIQWSXZKKOOQBP-IBGZPJMESA-N 2 2 445.612 -0.150 20 0 IBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000479992469 1073309079 /nfs/dbraw/zinc/30/90/79/1073309079.db2.gz VIQWSXZKKOOQBP-IBGZPJMESA-N 2 2 445.612 -0.150 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000479992474 1073308955 /nfs/dbraw/zinc/30/89/55/1073308955.db2.gz VIQWSXZKKOOQBP-LJQANCHMSA-N 2 2 445.612 -0.150 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000479992474 1073308951 /nfs/dbraw/zinc/30/89/51/1073308951.db2.gz VIQWSXZKKOOQBP-LJQANCHMSA-N 2 2 445.612 -0.150 20 0 IBADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000480935570 1073355310 /nfs/dbraw/zinc/35/53/10/1073355310.db2.gz YECLCTQHNUREJX-UHFFFAOYSA-N 2 2 429.587 -0.091 20 0 IBADLP Cc1cccc(N2CCC(NC(=O)C(=O)N3CCO[C@@H](C[N@H+](C)CC(N)=O)C3)CC2)[nH+]1 ZINC000481718168 1073386883 /nfs/dbraw/zinc/38/68/83/1073386883.db2.gz YWGJOXPHLPUKOG-KRWDZBQOSA-N 2 2 432.525 -0.880 20 0 IBADLP Cc1cccc(N2CCC(NC(=O)C(=O)N3CCO[C@@H](C[N@@H+](C)CC(N)=O)C3)CC2)[nH+]1 ZINC000481718168 1073386879 /nfs/dbraw/zinc/38/68/79/1073386879.db2.gz YWGJOXPHLPUKOG-KRWDZBQOSA-N 2 2 432.525 -0.880 20 0 IBADLP Cc1cccc(N2CCC(NC(=O)C(=O)N3CCO[C@H](C[N@H+](C)CC(N)=O)C3)CC2)[nH+]1 ZINC000481718169 1073386918 /nfs/dbraw/zinc/38/69/18/1073386918.db2.gz YWGJOXPHLPUKOG-QGZVFWFLSA-N 2 2 432.525 -0.880 20 0 IBADLP Cc1cccc(N2CCC(NC(=O)C(=O)N3CCO[C@H](C[N@@H+](C)CC(N)=O)C3)CC2)[nH+]1 ZINC000481718169 1073386915 /nfs/dbraw/zinc/38/69/15/1073386915.db2.gz YWGJOXPHLPUKOG-QGZVFWFLSA-N 2 2 432.525 -0.880 20 0 IBADLP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000482508841 1073418357 /nfs/dbraw/zinc/41/83/57/1073418357.db2.gz SLTAVDQVQTWEMQ-UHFFFAOYSA-N 2 2 427.556 -0.233 20 0 IBADLP COC(=O)[C@]12C[N@@H+](CC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)C[C@H]1COCC2 ZINC000483085740 1072824271 /nfs/dbraw/zinc/82/42/71/1072824271.db2.gz HXZLVZIXVQTIBJ-YCRPNKLZSA-N 2 2 443.508 -0.477 20 0 IBADLP COC(=O)[C@]12C[N@H+](CC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)C[C@H]1COCC2 ZINC000483085740 1072824261 /nfs/dbraw/zinc/82/42/61/1072824261.db2.gz HXZLVZIXVQTIBJ-YCRPNKLZSA-N 2 2 443.508 -0.477 20 0 IBADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000484164868 1073472109 /nfs/dbraw/zinc/47/21/09/1073472109.db2.gz SJBQEVHPMUPBCW-MSOLQXFVSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000484164868 1073472105 /nfs/dbraw/zinc/47/21/05/1073472105.db2.gz SJBQEVHPMUPBCW-MSOLQXFVSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000484164871 1073472157 /nfs/dbraw/zinc/47/21/57/1073472157.db2.gz SJBQEVHPMUPBCW-QZTJIDSGSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000484164871 1073472152 /nfs/dbraw/zinc/47/21/52/1073472152.db2.gz SJBQEVHPMUPBCW-QZTJIDSGSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000484164873 1073472231 /nfs/dbraw/zinc/47/22/31/1073472231.db2.gz SJBQEVHPMUPBCW-ROUUACIJSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000484164873 1073472226 /nfs/dbraw/zinc/47/22/26/1073472226.db2.gz SJBQEVHPMUPBCW-ROUUACIJSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000484164875 1073472212 /nfs/dbraw/zinc/47/22/12/1073472212.db2.gz SJBQEVHPMUPBCW-ZWKOTPCHSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000484164875 1073472207 /nfs/dbraw/zinc/47/22/07/1073472207.db2.gz SJBQEVHPMUPBCW-ZWKOTPCHSA-N 2 2 445.568 -0.049 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000484321218 1073478397 /nfs/dbraw/zinc/47/83/97/1073478397.db2.gz ASWORPRJEMHYJC-UHFFFAOYSA-N 2 2 445.520 -0.001 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000484321218 1073478394 /nfs/dbraw/zinc/47/83/94/1073478394.db2.gz ASWORPRJEMHYJC-UHFFFAOYSA-N 2 2 445.520 -0.001 20 0 IBADLP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000485068391 1073511971 /nfs/dbraw/zinc/51/19/71/1073511971.db2.gz WFTDZMBWXAKIFR-UHFFFAOYSA-N 2 2 443.508 -0.094 20 0 IBADLP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000485085003 1073512606 /nfs/dbraw/zinc/51/26/06/1073512606.db2.gz JRCGKHCCNZMUQI-UHFFFAOYSA-N 2 2 443.508 -0.094 20 0 IBADLP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000485605320 1073529628 /nfs/dbraw/zinc/52/96/28/1073529628.db2.gz WFRYWMJIBBNSGW-INIZCTEOSA-N 2 2 431.541 -0.391 20 0 IBADLP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000485605320 1073529617 /nfs/dbraw/zinc/52/96/17/1073529617.db2.gz WFRYWMJIBBNSGW-INIZCTEOSA-N 2 2 431.541 -0.391 20 0 IBADLP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000485605320 1073529607 /nfs/dbraw/zinc/52/96/07/1073529607.db2.gz WFRYWMJIBBNSGW-INIZCTEOSA-N 2 2 431.541 -0.391 20 0 IBADLP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000485605320 1073529596 /nfs/dbraw/zinc/52/95/96/1073529596.db2.gz WFRYWMJIBBNSGW-INIZCTEOSA-N 2 2 431.541 -0.391 20 0 IBADLP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000485605321 1073530278 /nfs/dbraw/zinc/53/02/78/1073530278.db2.gz WFRYWMJIBBNSGW-MRXNPFEDSA-N 2 2 431.541 -0.391 20 0 IBADLP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000485605321 1073530266 /nfs/dbraw/zinc/53/02/66/1073530266.db2.gz WFRYWMJIBBNSGW-MRXNPFEDSA-N 2 2 431.541 -0.391 20 0 IBADLP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000485605321 1073530255 /nfs/dbraw/zinc/53/02/55/1073530255.db2.gz WFRYWMJIBBNSGW-MRXNPFEDSA-N 2 2 431.541 -0.391 20 0 IBADLP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000485605321 1073530241 /nfs/dbraw/zinc/53/02/41/1073530241.db2.gz WFRYWMJIBBNSGW-MRXNPFEDSA-N 2 2 431.541 -0.391 20 0 IBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000485610213 1073530138 /nfs/dbraw/zinc/53/01/38/1073530138.db2.gz BYPABBHVPSTDDD-GOSISDBHSA-N 2 2 430.557 -0.453 20 0 IBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000485610213 1073530127 /nfs/dbraw/zinc/53/01/27/1073530127.db2.gz BYPABBHVPSTDDD-GOSISDBHSA-N 2 2 430.557 -0.453 20 0 IBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000485610214 1073530436 /nfs/dbraw/zinc/53/04/36/1073530436.db2.gz BYPABBHVPSTDDD-SFHVURJKSA-N 2 2 430.557 -0.453 20 0 IBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000485610214 1073530424 /nfs/dbraw/zinc/53/04/24/1073530424.db2.gz BYPABBHVPSTDDD-SFHVURJKSA-N 2 2 430.557 -0.453 20 0 IBADLP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000485927966 1073538542 /nfs/dbraw/zinc/53/85/42/1073538542.db2.gz XJNSTXJTQRWIAR-FQEVSTJZSA-N 2 2 445.564 -0.225 20 0 IBADLP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000485927967 1073538731 /nfs/dbraw/zinc/53/87/31/1073538731.db2.gz XJNSTXJTQRWIAR-HXUWFJFHSA-N 2 2 445.564 -0.225 20 0 IBADLP Cc1cc(C(=O)NC[C@@H]2C[NH+](C)CCN2C)cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000486286091 1073544904 /nfs/dbraw/zinc/54/49/04/1073544904.db2.gz UMMVGWQFRVRZOT-NHCUHLMSSA-N 2 2 430.597 -0.054 20 0 IBADLP Cc1cc(C(=O)NC[C@@H]2C[NH+](C)CCN2C)cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000486286091 1073544893 /nfs/dbraw/zinc/54/48/93/1073544893.db2.gz UMMVGWQFRVRZOT-NHCUHLMSSA-N 2 2 430.597 -0.054 20 0 IBADLP Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc(C(=O)NC[C@H]2C[NH+](C)CCN2C)c1 ZINC000486286092 1073544808 /nfs/dbraw/zinc/54/48/08/1073544808.db2.gz UMMVGWQFRVRZOT-OYRHEFFESA-N 2 2 430.597 -0.054 20 0 IBADLP Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc(C(=O)NC[C@H]2C[NH+](C)CCN2C)c1 ZINC000486286092 1073544796 /nfs/dbraw/zinc/54/47/96/1073544796.db2.gz UMMVGWQFRVRZOT-OYRHEFFESA-N 2 2 430.597 -0.054 20 0 IBADLP Cc1cc(C(=O)NC[C@@H]2C[NH+](C)CCN2C)cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000486286092 1073544784 /nfs/dbraw/zinc/54/47/84/1073544784.db2.gz UMMVGWQFRVRZOT-OYRHEFFESA-N 2 2 430.597 -0.054 20 0 IBADLP Cc1cc(C(=O)NC[C@@H]2C[NH+](C)CCN2C)cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000486286092 1073544763 /nfs/dbraw/zinc/54/47/63/1073544763.db2.gz UMMVGWQFRVRZOT-OYRHEFFESA-N 2 2 430.597 -0.054 20 0 IBADLP Cc1cc(C(=O)NC[C@H]2C[NH+](C)CCN2C)cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000486286093 1073544938 /nfs/dbraw/zinc/54/49/38/1073544938.db2.gz UMMVGWQFRVRZOT-SFTDATJTSA-N 2 2 430.597 -0.054 20 0 IBADLP Cc1cc(C(=O)NC[C@H]2C[NH+](C)CCN2C)cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000486286093 1073544928 /nfs/dbraw/zinc/54/49/28/1073544928.db2.gz UMMVGWQFRVRZOT-SFTDATJTSA-N 2 2 430.597 -0.054 20 0 IBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)nc1 ZINC000486304105 1073545524 /nfs/dbraw/zinc/54/55/24/1073545524.db2.gz NCSBQFUTUVBNOQ-MOPGFXCFSA-N 2 2 445.612 -0.187 20 0 IBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)nc1 ZINC000486304106 1073545612 /nfs/dbraw/zinc/54/56/12/1073545612.db2.gz NCSBQFUTUVBNOQ-OALUTQOASA-N 2 2 445.612 -0.187 20 0 IBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cn1 ZINC000486304107 1073545693 /nfs/dbraw/zinc/54/56/93/1073545693.db2.gz NCSBQFUTUVBNOQ-RBUKOAKNSA-N 2 2 445.612 -0.187 20 0 IBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)nc1 ZINC000486304108 1073545568 /nfs/dbraw/zinc/54/55/68/1073545568.db2.gz NCSBQFUTUVBNOQ-RTBURBONSA-N 2 2 445.612 -0.187 20 0 IBADLP CN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000487262330 1072827259 /nfs/dbraw/zinc/82/72/59/1072827259.db2.gz CHPIPNJORBZING-INIZCTEOSA-N 2 2 431.541 -0.541 20 0 IBADLP CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000487262335 1072827111 /nfs/dbraw/zinc/82/71/11/1072827111.db2.gz CHPIPNJORBZING-MRXNPFEDSA-N 2 2 431.541 -0.541 20 0 IBADLP O=C(C[NH+]1CCCC1)N1CCN(CCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000487416836 1072442440 /nfs/dbraw/zinc/44/24/40/1072442440.db2.gz CTFJNINSMQIHPY-UHFFFAOYSA-N 3 2 434.629 -0.144 20 0 IBADLP Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c(=O)n(C)c1=O ZINC000487735481 1073576246 /nfs/dbraw/zinc/57/62/46/1073576246.db2.gz ATHFYQVTUPZYDF-UHFFFAOYSA-N 2 2 448.568 -0.447 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)c2)C1 ZINC000489287108 1073608274 /nfs/dbraw/zinc/60/82/74/1073608274.db2.gz GBEOSWXBHDLXSJ-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)c2)C1 ZINC000489287108 1073608272 /nfs/dbraw/zinc/60/82/72/1073608272.db2.gz GBEOSWXBHDLXSJ-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](NS(C)(=O)=O)C3)c2)C1 ZINC000489287108 1073608267 /nfs/dbraw/zinc/60/82/67/1073608267.db2.gz GBEOSWXBHDLXSJ-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](NS(C)(=O)=O)C3)c2)C1 ZINC000489287108 1073608263 /nfs/dbraw/zinc/60/82/63/1073608263.db2.gz GBEOSWXBHDLXSJ-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](NS(C)(=O)=O)C3)c2)C1 ZINC000489287114 1073608172 /nfs/dbraw/zinc/60/81/72/1073608172.db2.gz GBEOSWXBHDLXSJ-QZTJIDSGSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](NS(C)(=O)=O)C3)c2)C1 ZINC000489287114 1073608164 /nfs/dbraw/zinc/60/81/64/1073608164.db2.gz GBEOSWXBHDLXSJ-QZTJIDSGSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)c2)C1 ZINC000489287119 1073608237 /nfs/dbraw/zinc/60/82/37/1073608237.db2.gz GBEOSWXBHDLXSJ-ROUUACIJSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)c2)C1 ZINC000489287119 1073608233 /nfs/dbraw/zinc/60/82/33/1073608233.db2.gz GBEOSWXBHDLXSJ-ROUUACIJSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290648 1073608325 /nfs/dbraw/zinc/60/83/25/1073608325.db2.gz LUGPZUMEGCSULK-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290648 1073608322 /nfs/dbraw/zinc/60/83/22/1073608322.db2.gz LUGPZUMEGCSULK-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290648 1073608319 /nfs/dbraw/zinc/60/83/19/1073608319.db2.gz LUGPZUMEGCSULK-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290648 1073608316 /nfs/dbraw/zinc/60/83/16/1073608316.db2.gz LUGPZUMEGCSULK-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000489290650 1073608039 /nfs/dbraw/zinc/60/80/39/1073608039.db2.gz LUGPZUMEGCSULK-QZTJIDSGSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000489290650 1073608032 /nfs/dbraw/zinc/60/80/32/1073608032.db2.gz LUGPZUMEGCSULK-QZTJIDSGSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290652 1073607984 /nfs/dbraw/zinc/60/79/84/1073607984.db2.gz LUGPZUMEGCSULK-ROUUACIJSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290652 1073607978 /nfs/dbraw/zinc/60/79/78/1073607978.db2.gz LUGPZUMEGCSULK-ROUUACIJSA-N 2 2 430.596 -0.066 20 0 IBADLP CNC(=O)C[NH+]1CCC(Nc2nc(C)c(C)nc2NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000489355490 1073610395 /nfs/dbraw/zinc/61/03/95/1073610395.db2.gz AXWGBFOAUAVBHZ-UHFFFAOYSA-N 2 2 446.600 -0.818 20 0 IBADLP COC(=O)CC1([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCOCC1 ZINC000489965575 1073623901 /nfs/dbraw/zinc/62/39/01/1073623901.db2.gz FXTKMUACICKGPM-UHFFFAOYSA-N 2 2 431.497 -0.286 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)cn1 ZINC000490351140 1073641826 /nfs/dbraw/zinc/64/18/26/1073641826.db2.gz ALPJIKXJENLVPY-UHFFFAOYSA-N 2 2 447.565 -0.265 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)cn1 ZINC000490351140 1073641822 /nfs/dbraw/zinc/64/18/22/1073641822.db2.gz ALPJIKXJENLVPY-UHFFFAOYSA-N 2 2 447.565 -0.265 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000490383810 1073644951 /nfs/dbraw/zinc/64/49/51/1073644951.db2.gz ZSUNGECRXYJVJL-UHFFFAOYSA-N 2 2 441.536 -0.156 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000490391561 1073642393 /nfs/dbraw/zinc/64/23/93/1073642393.db2.gz CODZSKPGRNCXRE-UHFFFAOYSA-N 2 2 428.497 -0.757 20 0 IBADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000491401212 1072582310 /nfs/dbraw/zinc/58/23/10/1072582310.db2.gz ORBJAEZWEXKGHF-INIZCTEOSA-N 2 2 444.540 -0.286 20 0 IBADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000491401213 1072582334 /nfs/dbraw/zinc/58/23/34/1072582334.db2.gz ORBJAEZWEXKGHF-MRXNPFEDSA-N 2 2 444.540 -0.286 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000491575157 1072586842 /nfs/dbraw/zinc/58/68/42/1072586842.db2.gz YZIPXCYBYDUWDM-KRWDZBQOSA-N 2 2 429.481 -0.426 20 0 IBADLP C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000491580353 1072585823 /nfs/dbraw/zinc/58/58/23/1072585823.db2.gz AJVHBJUYRXVVLB-DOTOQJQBSA-N 2 2 430.513 -0.194 20 0 IBADLP C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000491580354 1072585941 /nfs/dbraw/zinc/58/59/41/1072585941.db2.gz AJVHBJUYRXVVLB-NVXWUHKLSA-N 2 2 430.513 -0.194 20 0 IBADLP C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000491580355 1072585843 /nfs/dbraw/zinc/58/58/43/1072585843.db2.gz AJVHBJUYRXVVLB-RDJZCZTQSA-N 2 2 430.513 -0.194 20 0 IBADLP C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000491580356 1072585898 /nfs/dbraw/zinc/58/58/98/1072585898.db2.gz AJVHBJUYRXVVLB-WBVHZDCISA-N 2 2 430.513 -0.194 20 0 IBADLP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000492699896 1072598857 /nfs/dbraw/zinc/59/88/57/1072598857.db2.gz GEDVVZLSLWVOKT-UHFFFAOYSA-N 2 2 429.573 -0.419 20 0 IBADLP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000492699896 1072598847 /nfs/dbraw/zinc/59/88/47/1072598847.db2.gz GEDVVZLSLWVOKT-UHFFFAOYSA-N 2 2 429.573 -0.419 20 0 IBADLP C[NH+](C)CCn1ccc(=NC(=O)[C@@H]2CC[C@@H](C(=O)N=c3ccn(CC[NH+](C)C)[nH]3)O2)[nH]1 ZINC000494837232 1072648571 /nfs/dbraw/zinc/64/85/71/1072648571.db2.gz OCBBSXMUQXQMBI-HOTGVXAUSA-N 2 2 432.529 -0.829 20 0 IBADLP C[NH+](C)CCn1ccc(=NC(=O)[C@H]2CC[C@H](C(=O)N=c3ccn(CC[NH+](C)C)[nH]3)O2)[nH]1 ZINC000494837234 1072648693 /nfs/dbraw/zinc/64/86/93/1072648693.db2.gz OCBBSXMUQXQMBI-HZPDHXFCSA-N 2 2 432.529 -0.829 20 0 IBADLP C[NH+](C)CCn1ccc(=NC(=O)[C@H]2CC[C@@H](C(=O)N=c3ccn(CC[NH+](C)C)[nH]3)O2)[nH]1 ZINC000494837235 1072648662 /nfs/dbraw/zinc/64/86/62/1072648662.db2.gz OCBBSXMUQXQMBI-IYBDPMFKSA-N 2 2 432.529 -0.829 20 0 IBADLP CNC(=O)CCOC1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000494972306 1072652738 /nfs/dbraw/zinc/65/27/38/1072652738.db2.gz JEZPLATZCSOABO-UHFFFAOYSA-N 2 2 444.540 -0.371 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496357587 1072728662 /nfs/dbraw/zinc/72/86/62/1072728662.db2.gz HNVHCSKQZUUULH-UHFFFAOYSA-N 2 2 443.556 -0.846 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496357587 1072728658 /nfs/dbraw/zinc/72/86/58/1072728658.db2.gz HNVHCSKQZUUULH-UHFFFAOYSA-N 2 2 443.556 -0.846 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496357605 1072728640 /nfs/dbraw/zinc/72/86/40/1072728640.db2.gz HTOSGYKXAHNHAL-UHFFFAOYSA-N 2 2 438.617 -0.469 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496357605 1072728638 /nfs/dbraw/zinc/72/86/38/1072728638.db2.gz HTOSGYKXAHNHAL-UHFFFAOYSA-N 2 2 438.617 -0.469 20 0 IBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000496357605 1072728637 /nfs/dbraw/zinc/72/86/37/1072728637.db2.gz HTOSGYKXAHNHAL-UHFFFAOYSA-N 2 2 438.617 -0.469 20 0 IBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000496357605 1072728635 /nfs/dbraw/zinc/72/86/35/1072728635.db2.gz HTOSGYKXAHNHAL-UHFFFAOYSA-N 2 2 438.617 -0.469 20 0 IBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CSCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000496971343 1072741151 /nfs/dbraw/zinc/74/11/51/1072741151.db2.gz RZDYKMFXJADIAT-CEXWTWQISA-N 2 2 442.626 -0.017 20 0 IBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CSCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000496971344 1072741430 /nfs/dbraw/zinc/74/14/30/1072741430.db2.gz RZDYKMFXJADIAT-GUDVDZBRSA-N 2 2 442.626 -0.017 20 0 IBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CSCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000496971345 1072741191 /nfs/dbraw/zinc/74/11/91/1072741191.db2.gz RZDYKMFXJADIAT-QRVBRYPASA-N 2 2 442.626 -0.017 20 0 IBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CSCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000496971346 1072741115 /nfs/dbraw/zinc/74/11/15/1072741115.db2.gz RZDYKMFXJADIAT-QYZOEREBSA-N 2 2 442.626 -0.017 20 0 IBADLP C[C@H](C(=O)NC[C@@H]1CSCCN1C(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000497066855 1072747695 /nfs/dbraw/zinc/74/76/95/1072747695.db2.gz RKQOQDIIGMAJOB-CEXWTWQISA-N 2 2 440.658 -0.682 20 0 IBADLP C[C@H](C(=O)NC[C@@H]1CSCCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000497066856 1072747398 /nfs/dbraw/zinc/74/73/98/1072747398.db2.gz RKQOQDIIGMAJOB-GUDVDZBRSA-N 2 2 440.658 -0.682 20 0 IBADLP C[C@H](C(=O)NC[C@H]1CSCCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000497066857 1072747668 /nfs/dbraw/zinc/74/76/68/1072747668.db2.gz RKQOQDIIGMAJOB-QRVBRYPASA-N 2 2 440.658 -0.682 20 0 IBADLP C[C@H](C(=O)NC[C@H]1CSCCN1C(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000497066858 1072747581 /nfs/dbraw/zinc/74/75/81/1072747581.db2.gz RKQOQDIIGMAJOB-QYZOEREBSA-N 2 2 440.658 -0.682 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)NCCN(Cc2ccccn2)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000498083943 1072801432 /nfs/dbraw/zinc/80/14/32/1072801432.db2.gz FKGTVAGXAUEBIA-PMACEKPBSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)NCCN(Cc2ccccn2)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000498083943 1072801413 /nfs/dbraw/zinc/80/14/13/1072801413.db2.gz FKGTVAGXAUEBIA-PMACEKPBSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)Cc2ccccn2)C1 ZINC000498083943 1072801394 /nfs/dbraw/zinc/80/13/94/1072801394.db2.gz FKGTVAGXAUEBIA-PMACEKPBSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)Cc2ccccn2)C1 ZINC000498083943 1072801373 /nfs/dbraw/zinc/80/13/73/1072801373.db2.gz FKGTVAGXAUEBIA-PMACEKPBSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@@H](C(=O)NCCN(Cc2ccccn2)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000498083945 1072801560 /nfs/dbraw/zinc/80/15/60/1072801560.db2.gz FKGTVAGXAUEBIA-UXHICEINSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@@H](C(=O)NCCN(Cc2ccccn2)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000498083945 1072801537 /nfs/dbraw/zinc/80/15/37/1072801537.db2.gz FKGTVAGXAUEBIA-UXHICEINSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)Cc2ccccn2)C1 ZINC000498083945 1072801514 /nfs/dbraw/zinc/80/15/14/1072801514.db2.gz FKGTVAGXAUEBIA-UXHICEINSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)Cc2ccccn2)C1 ZINC000498083945 1072801495 /nfs/dbraw/zinc/80/14/95/1072801495.db2.gz FKGTVAGXAUEBIA-UXHICEINSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)NCCN(Cc2ccccn2)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000498083946 1072801265 /nfs/dbraw/zinc/80/12/65/1072801265.db2.gz FKGTVAGXAUEBIA-VQTJNVASSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)NCCN(Cc2ccccn2)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000498083946 1072801242 /nfs/dbraw/zinc/80/12/42/1072801242.db2.gz FKGTVAGXAUEBIA-VQTJNVASSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)Cc2ccccn2)C1 ZINC000498083946 1072801216 /nfs/dbraw/zinc/80/12/16/1072801216.db2.gz FKGTVAGXAUEBIA-VQTJNVASSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)Cc2ccccn2)C1 ZINC000498083946 1072801197 /nfs/dbraw/zinc/80/11/97/1072801197.db2.gz FKGTVAGXAUEBIA-VQTJNVASSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@@H](C(=O)NCCN(Cc2ccccn2)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000498083948 1072800942 /nfs/dbraw/zinc/80/09/42/1072800942.db2.gz FKGTVAGXAUEBIA-WOJBJXKFSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@@H](C(=O)NCCN(Cc2ccccn2)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000498083948 1072800923 /nfs/dbraw/zinc/80/09/23/1072800923.db2.gz FKGTVAGXAUEBIA-WOJBJXKFSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)Cc2ccccn2)C1 ZINC000498083948 1072800903 /nfs/dbraw/zinc/80/09/03/1072800903.db2.gz FKGTVAGXAUEBIA-WOJBJXKFSA-N 2 2 433.553 -0.032 20 0 IBADLP CC[NH+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)Cc2ccccn2)C1 ZINC000498083948 1072800888 /nfs/dbraw/zinc/80/08/88/1072800888.db2.gz FKGTVAGXAUEBIA-WOJBJXKFSA-N 2 2 433.553 -0.032 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000498436572 1072841043 /nfs/dbraw/zinc/84/10/43/1072841043.db2.gz QERLXPGQZCLNIS-UHFFFAOYSA-N 2 2 439.538 -0.274 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000498436572 1072841036 /nfs/dbraw/zinc/84/10/36/1072841036.db2.gz QERLXPGQZCLNIS-UHFFFAOYSA-N 2 2 439.538 -0.274 20 0 IBADLP COc1cc(NC(=O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)ccn1 ZINC000500028287 1071364939 /nfs/dbraw/zinc/36/49/39/1071364939.db2.gz HQPCFWVFQJNWQZ-UHFFFAOYSA-N 2 2 432.525 -0.275 20 0 IBADLP CN(C(=O)C(=O)Nc1cc2n(n1)CCCC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500034057 1073353180 /nfs/dbraw/zinc/35/31/80/1073353180.db2.gz ZYQQDCUXZXHDJJ-UHFFFAOYSA-N 2 2 445.568 -0.145 20 0 IBADLP NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000500290345 1071381246 /nfs/dbraw/zinc/38/12/46/1071381246.db2.gz SLNPWFIQRAPQNO-KRWDZBQOSA-N 2 2 431.603 -0.357 20 0 IBADLP NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000500290345 1071381232 /nfs/dbraw/zinc/38/12/32/1071381232.db2.gz SLNPWFIQRAPQNO-KRWDZBQOSA-N 2 2 431.603 -0.357 20 0 IBADLP NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000500290346 1071381186 /nfs/dbraw/zinc/38/11/86/1071381186.db2.gz SLNPWFIQRAPQNO-QGZVFWFLSA-N 2 2 431.603 -0.357 20 0 IBADLP NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000500290346 1071381184 /nfs/dbraw/zinc/38/11/84/1071381184.db2.gz SLNPWFIQRAPQNO-QGZVFWFLSA-N 2 2 431.603 -0.357 20 0 IBADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC1 ZINC000500780606 1071519073 /nfs/dbraw/zinc/51/90/73/1071519073.db2.gz DRFXDUICNSUQEH-UHFFFAOYSA-N 2 2 431.541 -0.438 20 0 IBADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC1 ZINC000500780606 1071519058 /nfs/dbraw/zinc/51/90/58/1071519058.db2.gz DRFXDUICNSUQEH-UHFFFAOYSA-N 2 2 431.541 -0.438 20 0 IBADLP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000500783033 1071519812 /nfs/dbraw/zinc/51/98/12/1071519812.db2.gz IXLUMHAAYKGISD-KRWDZBQOSA-N 2 2 445.568 -0.001 20 0 IBADLP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC000500783033 1071519798 /nfs/dbraw/zinc/51/97/98/1071519798.db2.gz IXLUMHAAYKGISD-KRWDZBQOSA-N 2 2 445.568 -0.001 20 0 IBADLP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000500783034 1071519613 /nfs/dbraw/zinc/51/96/13/1071519613.db2.gz IXLUMHAAYKGISD-QGZVFWFLSA-N 2 2 445.568 -0.001 20 0 IBADLP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC000500783034 1071519605 /nfs/dbraw/zinc/51/96/05/1071519605.db2.gz IXLUMHAAYKGISD-QGZVFWFLSA-N 2 2 445.568 -0.001 20 0 IBADLP CC(C)N(CCCNC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000501051345 1071646854 /nfs/dbraw/zinc/64/68/54/1071646854.db2.gz MOCONLLPNAXBBM-UHFFFAOYSA-N 2 2 434.603 -0.678 20 0 IBADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000501053895 1071648044 /nfs/dbraw/zinc/64/80/44/1071648044.db2.gz SLZMZNLPKUWULP-UHFFFAOYSA-N 2 2 439.601 -0.796 20 0 IBADLP Cn1c2ncn(CCC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c(=O)n(C)c1=O ZINC000501271482 1071652931 /nfs/dbraw/zinc/65/29/31/1071652931.db2.gz WQNILBUDHWJQEE-UHFFFAOYSA-N 2 2 431.541 -0.501 20 0 IBADLP C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501523716 1071659665 /nfs/dbraw/zinc/65/96/65/1071659665.db2.gz UJSBUMDULUOBRZ-MSOLQXFVSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501523716 1071659661 /nfs/dbraw/zinc/65/96/61/1071659661.db2.gz UJSBUMDULUOBRZ-MSOLQXFVSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501523718 1071659738 /nfs/dbraw/zinc/65/97/38/1071659738.db2.gz UJSBUMDULUOBRZ-QZTJIDSGSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501523718 1071659735 /nfs/dbraw/zinc/65/97/35/1071659735.db2.gz UJSBUMDULUOBRZ-QZTJIDSGSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000501523720 1071659758 /nfs/dbraw/zinc/65/97/58/1071659758.db2.gz UJSBUMDULUOBRZ-ROUUACIJSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000501523720 1071659756 /nfs/dbraw/zinc/65/97/56/1071659756.db2.gz UJSBUMDULUOBRZ-ROUUACIJSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000501523722 1071659686 /nfs/dbraw/zinc/65/96/86/1071659686.db2.gz UJSBUMDULUOBRZ-ZWKOTPCHSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000501523722 1071659682 /nfs/dbraw/zinc/65/96/82/1071659682.db2.gz UJSBUMDULUOBRZ-ZWKOTPCHSA-N 2 2 430.619 -0.074 20 0 IBADLP C[NH+](C)CCOc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccn1 ZINC000502083674 1071679983 /nfs/dbraw/zinc/67/99/83/1071679983.db2.gz XWMVMZFWFNWAHJ-UHFFFAOYSA-N 2 2 440.570 -0.728 20 0 IBADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502628501 1071697056 /nfs/dbraw/zinc/69/70/56/1071697056.db2.gz RNKAZTJWTQUOKK-GOSISDBHSA-N 2 2 428.559 -0.855 20 0 IBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502628502 1071696997 /nfs/dbraw/zinc/69/69/97/1071696997.db2.gz RNKAZTJWTQUOKK-SFHVURJKSA-N 2 2 428.559 -0.855 20 0 IBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000503182868 1071714111 /nfs/dbraw/zinc/71/41/11/1071714111.db2.gz AKYVWZQNHPHKRE-UHFFFAOYSA-N 2 2 430.557 -0.452 20 0 IBADLP CC(CC(=O)N1CC[NH+](CCO)CC1)(CC(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000503344604 1071721393 /nfs/dbraw/zinc/72/13/93/1071721393.db2.gz MSTOVMRWTHKPCN-UHFFFAOYSA-N 2 2 446.592 -0.003 20 0 IBADLP CC(C)C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000504040459 1071737084 /nfs/dbraw/zinc/73/70/84/1071737084.db2.gz XFVFOSPMHJHYRO-UHFFFAOYSA-N 2 2 430.619 -0.074 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSc2nnnn2CC[NH+](C)C)CC1 ZINC000504504412 1071746799 /nfs/dbraw/zinc/74/67/99/1071746799.db2.gz YYGJQDBUZPNWGC-UHFFFAOYSA-N 2 2 431.530 -0.648 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000506432617 1072038852 /nfs/dbraw/zinc/03/88/52/1072038852.db2.gz XEWPKPAMUCVAST-UHFFFAOYSA-N 2 2 429.565 -0.176 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000506770028 1072126007 /nfs/dbraw/zinc/12/60/07/1072126007.db2.gz HSWGZKIZYLKZAT-SFHVURJKSA-N 2 2 434.541 -0.275 20 0 IBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000506775394 1072126544 /nfs/dbraw/zinc/12/65/44/1072126544.db2.gz GAMXRADQRJGODC-SFHVURJKSA-N 2 2 434.541 -0.275 20 0 IBADLP CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC000507357160 1072198621 /nfs/dbraw/zinc/19/86/21/1072198621.db2.gz ILNFARVWWNYFRM-UHFFFAOYSA-N 2 2 436.557 -0.642 20 0 IBADLP CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508613720 1072830745 /nfs/dbraw/zinc/83/07/45/1072830745.db2.gz GEBCPVMIZQIZDL-CEXWTWQISA-N 2 2 445.630 -0.243 20 0 IBADLP CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508613720 1072830728 /nfs/dbraw/zinc/83/07/28/1072830728.db2.gz GEBCPVMIZQIZDL-CEXWTWQISA-N 2 2 445.630 -0.243 20 0 IBADLP CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508613721 1072830526 /nfs/dbraw/zinc/83/05/26/1072830526.db2.gz GEBCPVMIZQIZDL-GUDVDZBRSA-N 2 2 445.630 -0.243 20 0 IBADLP CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508613722 1072830459 /nfs/dbraw/zinc/83/04/59/1072830459.db2.gz GEBCPVMIZQIZDL-OTWHNJEPSA-N 2 2 445.630 -0.243 20 0 IBADLP CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508613722 1072830444 /nfs/dbraw/zinc/83/04/44/1072830444.db2.gz GEBCPVMIZQIZDL-OTWHNJEPSA-N 2 2 445.630 -0.243 20 0 IBADLP CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508613723 1072830796 /nfs/dbraw/zinc/83/07/96/1072830796.db2.gz GEBCPVMIZQIZDL-QRVBRYPASA-N 2 2 445.630 -0.243 20 0 IBADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000509719659 1072424518 /nfs/dbraw/zinc/42/45/18/1072424518.db2.gz HCUFVQNQJJVXQK-UHFFFAOYSA-N 2 2 449.556 -0.954 20 0 IBADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000509719659 1072424516 /nfs/dbraw/zinc/42/45/16/1072424516.db2.gz HCUFVQNQJJVXQK-UHFFFAOYSA-N 2 2 449.556 -0.954 20 0 IBADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000509719659 1072424507 /nfs/dbraw/zinc/42/45/07/1072424507.db2.gz HCUFVQNQJJVXQK-UHFFFAOYSA-N 2 2 449.556 -0.954 20 0 IBADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000509719659 1072424497 /nfs/dbraw/zinc/42/44/97/1072424497.db2.gz HCUFVQNQJJVXQK-UHFFFAOYSA-N 2 2 449.556 -0.954 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000509752992 1071513330 /nfs/dbraw/zinc/51/33/30/1071513330.db2.gz VJMYCVVDSIRXML-UHFFFAOYSA-N 2 2 432.573 -0.206 20 0 IBADLP CC[C@H](C)[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000510381022 1070969310 /nfs/dbraw/zinc/96/93/10/1070969310.db2.gz WGCBOBNPXYLWAT-CBPXPLCBSA-N 2 2 428.618 -0.595 20 0 IBADLP CC[C@H](C)[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000510381022 1070969305 /nfs/dbraw/zinc/96/93/05/1070969305.db2.gz WGCBOBNPXYLWAT-CBPXPLCBSA-N 2 2 428.618 -0.595 20 0 IBADLP CC[C@H](C)[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000510381032 1070969112 /nfs/dbraw/zinc/96/91/12/1070969112.db2.gz WGCBOBNPXYLWAT-CMOCDZPBSA-N 2 2 428.618 -0.595 20 0 IBADLP CC[C@H](C)[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000510381032 1070969107 /nfs/dbraw/zinc/96/91/07/1070969107.db2.gz WGCBOBNPXYLWAT-CMOCDZPBSA-N 2 2 428.618 -0.595 20 0 IBADLP CC[C@H](C)[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000510381033 1070969200 /nfs/dbraw/zinc/96/92/00/1070969200.db2.gz WGCBOBNPXYLWAT-KJJMTIBFSA-N 2 2 428.618 -0.595 20 0 IBADLP CC[C@H](C)[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000510381033 1070969193 /nfs/dbraw/zinc/96/91/93/1070969193.db2.gz WGCBOBNPXYLWAT-KJJMTIBFSA-N 2 2 428.618 -0.595 20 0 IBADLP CC[C@H](C)[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000510381034 1070969149 /nfs/dbraw/zinc/96/91/49/1070969149.db2.gz WGCBOBNPXYLWAT-LRSLUSHPSA-N 2 2 428.618 -0.595 20 0 IBADLP CC[C@H](C)[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000510381034 1070969145 /nfs/dbraw/zinc/96/91/45/1070969145.db2.gz WGCBOBNPXYLWAT-LRSLUSHPSA-N 2 2 428.618 -0.595 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000510844160 1071029440 /nfs/dbraw/zinc/02/94/40/1071029440.db2.gz YYGGZHOKVUJFMB-UHFFFAOYSA-N 2 2 432.573 -0.112 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)CC1 ZINC000511336773 1071269053 /nfs/dbraw/zinc/26/90/53/1071269053.db2.gz ZIRQTDVIAATIHT-UHFFFAOYSA-N 2 2 436.601 -0.269 20 0 IBADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000511861830 1071413163 /nfs/dbraw/zinc/41/31/63/1071413163.db2.gz XLXAZWPWXLMYIJ-UHFFFAOYSA-N 2 2 444.624 -0.032 20 0 IBADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000511861830 1071413151 /nfs/dbraw/zinc/41/31/51/1071413151.db2.gz XLXAZWPWXLMYIJ-UHFFFAOYSA-N 2 2 444.624 -0.032 20 0 IBADLP C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000512438379 1071506268 /nfs/dbraw/zinc/50/62/68/1071506268.db2.gz DKVANMSXNHVMDQ-DLBZAZTESA-N 2 2 428.541 -0.193 20 0 IBADLP C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000512438379 1071506258 /nfs/dbraw/zinc/50/62/58/1071506258.db2.gz DKVANMSXNHVMDQ-DLBZAZTESA-N 2 2 428.541 -0.193 20 0 IBADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000512438380 1071506443 /nfs/dbraw/zinc/50/64/43/1071506443.db2.gz DKVANMSXNHVMDQ-IAGOWNOFSA-N 2 2 428.541 -0.193 20 0 IBADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000512438380 1071506426 /nfs/dbraw/zinc/50/64/26/1071506426.db2.gz DKVANMSXNHVMDQ-IAGOWNOFSA-N 2 2 428.541 -0.193 20 0 IBADLP C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000512438381 1071506108 /nfs/dbraw/zinc/50/61/08/1071506108.db2.gz DKVANMSXNHVMDQ-IRXDYDNUSA-N 2 2 428.541 -0.193 20 0 IBADLP C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000512438381 1071506101 /nfs/dbraw/zinc/50/61/01/1071506101.db2.gz DKVANMSXNHVMDQ-IRXDYDNUSA-N 2 2 428.541 -0.193 20 0 IBADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000512438382 1071506337 /nfs/dbraw/zinc/50/63/37/1071506337.db2.gz DKVANMSXNHVMDQ-SJORKVTESA-N 2 2 428.541 -0.193 20 0 IBADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000512438382 1071506322 /nfs/dbraw/zinc/50/63/22/1071506322.db2.gz DKVANMSXNHVMDQ-SJORKVTESA-N 2 2 428.541 -0.193 20 0 IBADLP CC(C)[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000512773179 1071566579 /nfs/dbraw/zinc/56/65/79/1071566579.db2.gz JOQRLVSPOYAFPE-UHFFFAOYSA-N 2 2 430.619 -0.915 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000514314574 1071799510 /nfs/dbraw/zinc/79/95/10/1071799510.db2.gz YTWBLLZFACYPTR-KRWDZBQOSA-N 2 2 446.552 -0.455 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000514314574 1071799498 /nfs/dbraw/zinc/79/94/98/1071799498.db2.gz YTWBLLZFACYPTR-KRWDZBQOSA-N 2 2 446.552 -0.455 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000514314575 1071799609 /nfs/dbraw/zinc/79/96/09/1071799609.db2.gz YTWBLLZFACYPTR-QGZVFWFLSA-N 2 2 446.552 -0.455 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000514314575 1071799594 /nfs/dbraw/zinc/79/95/94/1071799594.db2.gz YTWBLLZFACYPTR-QGZVFWFLSA-N 2 2 446.552 -0.455 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](S(=O)(=O)NC)C3)c2)C1 ZINC000514423136 1071817928 /nfs/dbraw/zinc/81/79/28/1071817928.db2.gz YDNDSPJSKCXYMG-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](S(=O)(=O)NC)C3)c2)C1 ZINC000514423136 1071817920 /nfs/dbraw/zinc/81/79/20/1071817920.db2.gz YDNDSPJSKCXYMG-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](S(=O)(=O)NC)C3)c2)C1 ZINC000514423136 1071817910 /nfs/dbraw/zinc/81/79/10/1071817910.db2.gz YDNDSPJSKCXYMG-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](S(=O)(=O)NC)C3)c2)C1 ZINC000514423136 1071817904 /nfs/dbraw/zinc/81/79/04/1071817904.db2.gz YDNDSPJSKCXYMG-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](S(=O)(=O)NC)C3)c2)C1 ZINC000514423137 1071817561 /nfs/dbraw/zinc/81/75/61/1071817561.db2.gz YDNDSPJSKCXYMG-QZTJIDSGSA-N 2 2 430.596 -0.066 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](S(=O)(=O)NC)C3)c2)C1 ZINC000514423137 1071817558 /nfs/dbraw/zinc/81/75/58/1071817558.db2.gz YDNDSPJSKCXYMG-QZTJIDSGSA-N 2 2 430.596 -0.066 20 0 IBADLP CNS(=O)(=O)[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](S(=O)(=O)NC)C3)c2)C1 ZINC000514423138 1071818109 /nfs/dbraw/zinc/81/81/09/1071818109.db2.gz YDNDSPJSKCXYMG-ROUUACIJSA-N 2 2 430.596 -0.066 20 0 IBADLP CNS(=O)(=O)[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](S(=O)(=O)NC)C3)c2)C1 ZINC000514423138 1071818099 /nfs/dbraw/zinc/81/80/99/1071818099.db2.gz YDNDSPJSKCXYMG-ROUUACIJSA-N 2 2 430.596 -0.066 20 0 IBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000514423417 1071817701 /nfs/dbraw/zinc/81/77/01/1071817701.db2.gz NJPYJYPAFNQFKB-LEWJYISDSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000514423417 1071817690 /nfs/dbraw/zinc/81/76/90/1071817690.db2.gz NJPYJYPAFNQFKB-LEWJYISDSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000514423417 1071817687 /nfs/dbraw/zinc/81/76/87/1071817687.db2.gz NJPYJYPAFNQFKB-LEWJYISDSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000514423417 1071817677 /nfs/dbraw/zinc/81/76/77/1071817677.db2.gz NJPYJYPAFNQFKB-LEWJYISDSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@@H](c2ccccc2)C1 ZINC000514423417 1071817668 /nfs/dbraw/zinc/81/76/68/1071817668.db2.gz NJPYJYPAFNQFKB-LEWJYISDSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)[C@@H](c2ccccc2)C1 ZINC000514423417 1071817659 /nfs/dbraw/zinc/81/76/59/1071817659.db2.gz NJPYJYPAFNQFKB-LEWJYISDSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@@H](c2ccccc2)C1 ZINC000514423417 1071817650 /nfs/dbraw/zinc/81/76/50/1071817650.db2.gz NJPYJYPAFNQFKB-LEWJYISDSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@@H](c2ccccc2)C1 ZINC000514423417 1071817639 /nfs/dbraw/zinc/81/76/39/1071817639.db2.gz NJPYJYPAFNQFKB-LEWJYISDSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000514423418 1071817896 /nfs/dbraw/zinc/81/78/96/1071817896.db2.gz NJPYJYPAFNQFKB-NHCUHLMSSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000514423418 1071817887 /nfs/dbraw/zinc/81/78/87/1071817887.db2.gz NJPYJYPAFNQFKB-NHCUHLMSSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000514423418 1071817875 /nfs/dbraw/zinc/81/78/75/1071817875.db2.gz NJPYJYPAFNQFKB-NHCUHLMSSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000514423418 1071817866 /nfs/dbraw/zinc/81/78/66/1071817866.db2.gz NJPYJYPAFNQFKB-NHCUHLMSSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@@H](c2ccccc2)C1 ZINC000514423418 1071817859 /nfs/dbraw/zinc/81/78/59/1071817859.db2.gz NJPYJYPAFNQFKB-NHCUHLMSSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)[C@@H](c2ccccc2)C1 ZINC000514423418 1071817851 /nfs/dbraw/zinc/81/78/51/1071817851.db2.gz NJPYJYPAFNQFKB-NHCUHLMSSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@@H](c2ccccc2)C1 ZINC000514423418 1071817837 /nfs/dbraw/zinc/81/78/37/1071817837.db2.gz NJPYJYPAFNQFKB-NHCUHLMSSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@@H](c2ccccc2)C1 ZINC000514423418 1071817825 /nfs/dbraw/zinc/81/78/25/1071817825.db2.gz NJPYJYPAFNQFKB-NHCUHLMSSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000514423419 1071817813 /nfs/dbraw/zinc/81/78/13/1071817813.db2.gz NJPYJYPAFNQFKB-RTWAWAEBSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000514423419 1071817807 /nfs/dbraw/zinc/81/78/07/1071817807.db2.gz NJPYJYPAFNQFKB-RTWAWAEBSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000514423419 1071817797 /nfs/dbraw/zinc/81/77/97/1071817797.db2.gz NJPYJYPAFNQFKB-RTWAWAEBSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000514423419 1071817791 /nfs/dbraw/zinc/81/77/91/1071817791.db2.gz NJPYJYPAFNQFKB-RTWAWAEBSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@H](c2ccccc2)C1 ZINC000514423419 1071817784 /nfs/dbraw/zinc/81/77/84/1071817784.db2.gz NJPYJYPAFNQFKB-RTWAWAEBSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)[C@H](c2ccccc2)C1 ZINC000514423419 1071817779 /nfs/dbraw/zinc/81/77/79/1071817779.db2.gz NJPYJYPAFNQFKB-RTWAWAEBSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@H](c2ccccc2)C1 ZINC000514423419 1071817770 /nfs/dbraw/zinc/81/77/70/1071817770.db2.gz NJPYJYPAFNQFKB-RTWAWAEBSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@H](c2ccccc2)C1 ZINC000514423419 1071817762 /nfs/dbraw/zinc/81/77/62/1071817762.db2.gz NJPYJYPAFNQFKB-RTWAWAEBSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000514423420 1071818058 /nfs/dbraw/zinc/81/80/58/1071818058.db2.gz NJPYJYPAFNQFKB-SFTDATJTSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000514423420 1071818050 /nfs/dbraw/zinc/81/80/50/1071818050.db2.gz NJPYJYPAFNQFKB-SFTDATJTSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000514423420 1071818041 /nfs/dbraw/zinc/81/80/41/1071818041.db2.gz NJPYJYPAFNQFKB-SFTDATJTSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000514423420 1071818030 /nfs/dbraw/zinc/81/80/30/1071818030.db2.gz NJPYJYPAFNQFKB-SFTDATJTSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@H](c2ccccc2)C1 ZINC000514423420 1071818020 /nfs/dbraw/zinc/81/80/20/1071818020.db2.gz NJPYJYPAFNQFKB-SFTDATJTSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)[C@H](c2ccccc2)C1 ZINC000514423420 1071818010 /nfs/dbraw/zinc/81/80/10/1071818010.db2.gz NJPYJYPAFNQFKB-SFTDATJTSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@H](c2ccccc2)C1 ZINC000514423420 1071817999 /nfs/dbraw/zinc/81/79/99/1071817999.db2.gz NJPYJYPAFNQFKB-SFTDATJTSA-N 2 2 430.597 -0.157 20 0 IBADLP CN1CC[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@H](c2ccccc2)C1 ZINC000514423420 1071817989 /nfs/dbraw/zinc/81/79/89/1071817989.db2.gz NJPYJYPAFNQFKB-SFTDATJTSA-N 2 2 430.597 -0.157 20 0 IBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000514427447 1071815465 /nfs/dbraw/zinc/81/54/65/1071815465.db2.gz QUGGVJWEFKSWID-IBGZPJMESA-N 2 2 444.580 -0.372 20 0 IBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000514427447 1071815458 /nfs/dbraw/zinc/81/54/58/1071815458.db2.gz QUGGVJWEFKSWID-IBGZPJMESA-N 2 2 444.580 -0.372 20 0 IBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000514427448 1071815562 /nfs/dbraw/zinc/81/55/62/1071815562.db2.gz QUGGVJWEFKSWID-LJQANCHMSA-N 2 2 444.580 -0.372 20 0 IBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000514427448 1071815552 /nfs/dbraw/zinc/81/55/52/1071815552.db2.gz QUGGVJWEFKSWID-LJQANCHMSA-N 2 2 444.580 -0.372 20 0 IBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000514618678 1071836048 /nfs/dbraw/zinc/83/60/48/1071836048.db2.gz FDZBQXLDEHBESR-IBGZPJMESA-N 2 2 432.569 -0.063 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000514618682 1071835705 /nfs/dbraw/zinc/83/57/05/1071835705.db2.gz FDZBQXLDEHBESR-LJQANCHMSA-N 2 2 432.569 -0.063 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@@H](C)O1 ZINC000514764884 1071853312 /nfs/dbraw/zinc/85/33/12/1071853312.db2.gz NDTHNBMZPKBPJV-LMMKCTJWSA-N 2 2 427.542 -0.287 20 0 IBADLP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@H](C)O1 ZINC000514764885 1071853004 /nfs/dbraw/zinc/85/30/04/1071853004.db2.gz NDTHNBMZPKBPJV-SCTDSRPQSA-N 2 2 427.542 -0.287 20 0 IBADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@H](C)O1 ZINC000514764885 1071852978 /nfs/dbraw/zinc/85/29/78/1071852978.db2.gz NDTHNBMZPKBPJV-SCTDSRPQSA-N 2 2 427.542 -0.287 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@@H](C)O1 ZINC000514764886 1071853362 /nfs/dbraw/zinc/85/33/62/1071853362.db2.gz NDTHNBMZPKBPJV-ZHALLVOQSA-N 2 2 427.542 -0.287 20 0 IBADLP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@H](C)O1 ZINC000514764887 1071853227 /nfs/dbraw/zinc/85/32/27/1071853227.db2.gz NDTHNBMZPKBPJV-ZIFCJYIRSA-N 2 2 427.542 -0.287 20 0 IBADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@H](C)O1 ZINC000514764887 1071853217 /nfs/dbraw/zinc/85/32/17/1071853217.db2.gz NDTHNBMZPKBPJV-ZIFCJYIRSA-N 2 2 427.542 -0.287 20 0 IBADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)ccn2)CC1 ZINC000514827850 1071857652 /nfs/dbraw/zinc/85/76/52/1071857652.db2.gz SHQXSESDNDCGTG-IBGZPJMESA-N 2 2 430.553 -0.370 20 0 IBADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)ccn2)CC1 ZINC000514827851 1071857818 /nfs/dbraw/zinc/85/78/18/1071857818.db2.gz SHQXSESDNDCGTG-LJQANCHMSA-N 2 2 430.553 -0.370 20 0 IBADLP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000515342961 1071888131 /nfs/dbraw/zinc/88/81/31/1071888131.db2.gz OLYPZBAAMLCVDQ-UHFFFAOYSA-N 2 2 445.612 -0.066 20 0 IBADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000515471746 1071892525 /nfs/dbraw/zinc/89/25/25/1071892525.db2.gz BJNFAKNDEGCEBY-UHFFFAOYSA-N 2 2 433.557 -0.190 20 0 IBADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000515471746 1071892516 /nfs/dbraw/zinc/89/25/16/1071892516.db2.gz BJNFAKNDEGCEBY-UHFFFAOYSA-N 2 2 433.557 -0.190 20 0 IBADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000515471746 1071892498 /nfs/dbraw/zinc/89/24/98/1071892498.db2.gz BJNFAKNDEGCEBY-UHFFFAOYSA-N 2 2 433.557 -0.190 20 0 IBADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000515471746 1071892486 /nfs/dbraw/zinc/89/24/86/1071892486.db2.gz BJNFAKNDEGCEBY-UHFFFAOYSA-N 2 2 433.557 -0.190 20 0 IBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000515525909 1071894442 /nfs/dbraw/zinc/89/44/42/1071894442.db2.gz PVXCTRGAMBHZKJ-UHFFFAOYSA-N 2 2 431.585 -0.455 20 0 IBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000515525909 1071894428 /nfs/dbraw/zinc/89/44/28/1071894428.db2.gz PVXCTRGAMBHZKJ-UHFFFAOYSA-N 2 2 431.585 -0.455 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000515534457 1073371378 /nfs/dbraw/zinc/37/13/78/1073371378.db2.gz XCNLBRVEVHTWRT-UHFFFAOYSA-N 2 2 425.574 -0.386 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000515534457 1073371375 /nfs/dbraw/zinc/37/13/75/1073371375.db2.gz XCNLBRVEVHTWRT-UHFFFAOYSA-N 2 2 425.574 -0.386 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000515895929 1071911704 /nfs/dbraw/zinc/91/17/04/1071911704.db2.gz BQCXJKFKYOQIPS-UHFFFAOYSA-N 2 2 431.537 -0.174 20 0 IBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000516089768 1071924246 /nfs/dbraw/zinc/92/42/46/1071924246.db2.gz WONSWAGJIBNXBW-JENIJYKNSA-N 2 2 449.577 -0.540 20 0 IBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000516089768 1071924240 /nfs/dbraw/zinc/92/42/40/1071924240.db2.gz WONSWAGJIBNXBW-JENIJYKNSA-N 2 2 449.577 -0.540 20 0 IBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000516089769 1071924268 /nfs/dbraw/zinc/92/42/68/1071924268.db2.gz WONSWAGJIBNXBW-LNLFQRSKSA-N 2 2 449.577 -0.540 20 0 IBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000516089769 1071924263 /nfs/dbraw/zinc/92/42/63/1071924263.db2.gz WONSWAGJIBNXBW-LNLFQRSKSA-N 2 2 449.577 -0.540 20 0 IBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000516089770 1071924433 /nfs/dbraw/zinc/92/44/33/1071924433.db2.gz WONSWAGJIBNXBW-SCTDSRPQSA-N 2 2 449.577 -0.540 20 0 IBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000516089770 1071924426 /nfs/dbraw/zinc/92/44/26/1071924426.db2.gz WONSWAGJIBNXBW-SCTDSRPQSA-N 2 2 449.577 -0.540 20 0 IBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000516089771 1071924337 /nfs/dbraw/zinc/92/43/37/1071924337.db2.gz WONSWAGJIBNXBW-YQVWRLOYSA-N 2 2 449.577 -0.540 20 0 IBADLP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000516089771 1071924331 /nfs/dbraw/zinc/92/43/31/1071924331.db2.gz WONSWAGJIBNXBW-YQVWRLOYSA-N 2 2 449.577 -0.540 20 0 IBADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000516296864 1071931200 /nfs/dbraw/zinc/93/12/00/1071931200.db2.gz RQPPGUHUGSXHEA-UHFFFAOYSA-N 2 2 430.553 -0.347 20 0 IBADLP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000516306105 1071931734 /nfs/dbraw/zinc/93/17/34/1071931734.db2.gz GAWNAABKMWYWQN-UHFFFAOYSA-N 2 2 430.553 -0.234 20 0 IBADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000516683302 1071952036 /nfs/dbraw/zinc/95/20/36/1071952036.db2.gz DPGXJRZZIBCIQX-MSOLQXFVSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000516683302 1071952029 /nfs/dbraw/zinc/95/20/29/1071952029.db2.gz DPGXJRZZIBCIQX-MSOLQXFVSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000516683303 1071952093 /nfs/dbraw/zinc/95/20/93/1071952093.db2.gz DPGXJRZZIBCIQX-QZTJIDSGSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000516683303 1071952088 /nfs/dbraw/zinc/95/20/88/1071952088.db2.gz DPGXJRZZIBCIQX-QZTJIDSGSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000516683304 1071951930 /nfs/dbraw/zinc/95/19/30/1071951930.db2.gz DPGXJRZZIBCIQX-ROUUACIJSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000516683304 1071951924 /nfs/dbraw/zinc/95/19/24/1071951924.db2.gz DPGXJRZZIBCIQX-ROUUACIJSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000516683305 1071952067 /nfs/dbraw/zinc/95/20/67/1071952067.db2.gz DPGXJRZZIBCIQX-ZWKOTPCHSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000516683305 1071952064 /nfs/dbraw/zinc/95/20/64/1071952064.db2.gz DPGXJRZZIBCIQX-ZWKOTPCHSA-N 2 2 430.619 -0.074 20 0 IBADLP CN(C(=O)CCN1CCCS1(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517307299 1071987148 /nfs/dbraw/zinc/98/71/48/1071987148.db2.gz LEBXVIHRXRQRDK-UHFFFAOYSA-N 2 2 429.587 -0.891 20 0 IBADLP CN(C(=O)c1cccc(-n2cnnn2)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517307512 1071987223 /nfs/dbraw/zinc/98/72/23/1071987223.db2.gz OCTVNVHLIRTFBN-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP CN(C(=O)c1cccc(OCC(N)=O)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517307723 1071987264 /nfs/dbraw/zinc/98/72/64/1071987264.db2.gz YVWPOQRQHAUKBB-UHFFFAOYSA-N 2 2 431.537 -0.139 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000517850225 1072013914 /nfs/dbraw/zinc/01/39/14/1072013914.db2.gz XFCFJKBTCHLDIO-UHFFFAOYSA-N 2 2 430.553 -0.301 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC[N@H+]1CC(C)(C)O ZINC000517971979 1072018487 /nfs/dbraw/zinc/01/84/87/1072018487.db2.gz LNEZZIBKTQAKKH-KRWDZBQOSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC[N@@H+]1CC(C)(C)O ZINC000517971979 1072018474 /nfs/dbraw/zinc/01/84/74/1072018474.db2.gz LNEZZIBKTQAKKH-KRWDZBQOSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC[N@H+]1CC(C)(C)O ZINC000517971980 1072018668 /nfs/dbraw/zinc/01/86/68/1072018668.db2.gz LNEZZIBKTQAKKH-QGZVFWFLSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC[N@@H+]1CC(C)(C)O ZINC000517971980 1072018656 /nfs/dbraw/zinc/01/86/56/1072018656.db2.gz LNEZZIBKTQAKKH-QGZVFWFLSA-N 2 2 432.569 -0.247 20 0 IBADLP CSCC[C@H](NC(N)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517986046 1072019934 /nfs/dbraw/zinc/01/99/34/1072019934.db2.gz UZUCUCXVACAQMT-INIZCTEOSA-N 2 2 428.603 -0.527 20 0 IBADLP CSCC[C@@H](NC(N)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517986047 1072019703 /nfs/dbraw/zinc/01/97/03/1072019703.db2.gz UZUCUCXVACAQMT-MRXNPFEDSA-N 2 2 428.603 -0.527 20 0 IBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000518086322 1072026577 /nfs/dbraw/zinc/02/65/77/1072026577.db2.gz ZIFIBXGLCGBYGD-UHFFFAOYSA-N 2 2 431.537 -0.220 20 0 IBADLP CN(C(=O)CSc1nnnn1C1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518498501 1072064467 /nfs/dbraw/zinc/06/44/67/1072064467.db2.gz JCQBCNGLEYTJCR-UHFFFAOYSA-N 2 2 436.586 -0.203 20 0 IBADLP CN(C(=O)CCCN1C(=O)CN(C)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518499509 1072064444 /nfs/dbraw/zinc/06/44/44/1072064444.db2.gz NEFNUPYSDZLWOX-UHFFFAOYSA-N 2 2 436.557 -0.643 20 0 IBADLP CN(C(=O)CNC(=O)NCc1ccco1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518499583 1072065245 /nfs/dbraw/zinc/06/52/45/1072065245.db2.gz RPFOYFQDABPNPB-UHFFFAOYSA-N 2 2 434.541 -0.224 20 0 IBADLP CN(C(=O)c1ccc(-n2cnnn2)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518499704 1072065141 /nfs/dbraw/zinc/06/51/41/1072065141.db2.gz ZMIMOKOTGBCNNY-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000519006371 1072101338 /nfs/dbraw/zinc/10/13/38/1072101338.db2.gz RVOVFEFWDZJDEV-UHFFFAOYSA-N 2 2 445.568 -0.928 20 0 IBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cncc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000519348399 1072129970 /nfs/dbraw/zinc/12/99/70/1072129970.db2.gz IVOPEKOESVSEIK-KDURUIRLSA-N 2 2 445.612 -0.187 20 0 IBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC000519348785 1072129303 /nfs/dbraw/zinc/12/93/03/1072129303.db2.gz UOKWVBRCNWEYDN-KDURUIRLSA-N 2 2 445.612 -0.187 20 0 IBADLP C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCC(C)CC1 ZINC000520068021 1072247382 /nfs/dbraw/zinc/24/73/82/1072247382.db2.gz WCZSOURBAJUIMU-GOSISDBHSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCC(C)CC1 ZINC000520068022 1072247268 /nfs/dbraw/zinc/24/72/68/1072247268.db2.gz WCZSOURBAJUIMU-SFHVURJKSA-N 2 2 430.619 -0.074 20 0 IBADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000520239050 1072260276 /nfs/dbraw/zinc/26/02/76/1072260276.db2.gz NADJSMISTGGYOQ-INIZCTEOSA-N 2 2 427.575 -0.353 20 0 IBADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000520239051 1072260405 /nfs/dbraw/zinc/26/04/05/1072260405.db2.gz NADJSMISTGGYOQ-MRXNPFEDSA-N 2 2 427.575 -0.353 20 0 IBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000520265124 1072263881 /nfs/dbraw/zinc/26/38/81/1072263881.db2.gz MCYNUALSHQBYLS-UHFFFAOYSA-N 2 2 432.573 -0.160 20 0 IBADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000520441279 1072285753 /nfs/dbraw/zinc/28/57/53/1072285753.db2.gz QEPRAEUJXZEHFC-MSOLQXFVSA-N 2 2 428.537 -0.211 20 0 IBADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000520441279 1072285745 /nfs/dbraw/zinc/28/57/45/1072285745.db2.gz QEPRAEUJXZEHFC-MSOLQXFVSA-N 2 2 428.537 -0.211 20 0 IBADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000520441280 1072285807 /nfs/dbraw/zinc/28/58/07/1072285807.db2.gz QEPRAEUJXZEHFC-QZTJIDSGSA-N 2 2 428.537 -0.211 20 0 IBADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000520441280 1072285799 /nfs/dbraw/zinc/28/57/99/1072285799.db2.gz QEPRAEUJXZEHFC-QZTJIDSGSA-N 2 2 428.537 -0.211 20 0 IBADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000520441281 1072285848 /nfs/dbraw/zinc/28/58/48/1072285848.db2.gz QEPRAEUJXZEHFC-ROUUACIJSA-N 2 2 428.537 -0.211 20 0 IBADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000520441281 1072285841 /nfs/dbraw/zinc/28/58/41/1072285841.db2.gz QEPRAEUJXZEHFC-ROUUACIJSA-N 2 2 428.537 -0.211 20 0 IBADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000520441282 1072285712 /nfs/dbraw/zinc/28/57/12/1072285712.db2.gz QEPRAEUJXZEHFC-ZWKOTPCHSA-N 2 2 428.537 -0.211 20 0 IBADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000520441282 1072285705 /nfs/dbraw/zinc/28/57/05/1072285705.db2.gz QEPRAEUJXZEHFC-ZWKOTPCHSA-N 2 2 428.537 -0.211 20 0 IBADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000520535843 1072298473 /nfs/dbraw/zinc/29/84/73/1072298473.db2.gz YNJDVASREFFJOG-FQEVSTJZSA-N 2 2 445.564 -0.225 20 0 IBADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000520535844 1072298542 /nfs/dbraw/zinc/29/85/42/1072298542.db2.gz YNJDVASREFFJOG-HXUWFJFHSA-N 2 2 445.564 -0.225 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)CC2)CC1 ZINC000520621578 1072307456 /nfs/dbraw/zinc/30/74/56/1072307456.db2.gz MAWLEAMILOEPCN-UHFFFAOYSA-N 2 2 448.568 -0.452 20 0 IBADLP CN(C(=O)c1ccc(OCC(N)=O)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000520684326 1072315700 /nfs/dbraw/zinc/31/57/00/1072315700.db2.gz GBXCBLKLXGYJTD-UHFFFAOYSA-N 2 2 431.537 -0.139 20 0 IBADLP CN(C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000520684341 1072315595 /nfs/dbraw/zinc/31/55/95/1072315595.db2.gz GVXQSZBPWNXNLD-KDURUIRLSA-N 2 2 447.580 -0.142 20 0 IBADLP CN(C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000520684342 1072315808 /nfs/dbraw/zinc/31/58/08/1072315808.db2.gz GVXQSZBPWNXNLD-OALUTQOASA-N 2 2 447.580 -0.142 20 0 IBADLP CN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000520684343 1072315862 /nfs/dbraw/zinc/31/58/62/1072315862.db2.gz GVXQSZBPWNXNLD-RTBURBONSA-N 2 2 447.580 -0.142 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000521115159 1072410067 /nfs/dbraw/zinc/41/00/67/1072410067.db2.gz WCAIDVWIRVMHLZ-IBGZPJMESA-N 2 2 437.585 -0.194 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000521115160 1072410053 /nfs/dbraw/zinc/41/00/53/1072410053.db2.gz WCAIDVWIRVMHLZ-LJQANCHMSA-N 2 2 437.585 -0.194 20 0 IBADLP CN(C(=O)CN1C(=O)c2ccccc2C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521574283 1072453371 /nfs/dbraw/zinc/45/33/71/1072453371.db2.gz DRWIKTRIRUFLNV-UHFFFAOYSA-N 2 2 441.532 -0.021 20 0 IBADLP CN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521575036 1072453288 /nfs/dbraw/zinc/45/32/88/1072453288.db2.gz MMCUGDFUVDMNPX-UHFFFAOYSA-N 2 2 440.552 -0.098 20 0 IBADLP CN(C(=O)C(=O)Nc1cc(C2CC2)n(C)n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521945557 1073353075 /nfs/dbraw/zinc/35/30/75/1073353075.db2.gz AEPWKZIBOWATQD-UHFFFAOYSA-N 2 2 445.568 -0.067 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CC2)CC1 ZINC000522114685 1072497360 /nfs/dbraw/zinc/49/73/60/1072497360.db2.gz JZZIHDZXMYKTDP-UHFFFAOYSA-N 2 2 436.601 -0.269 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)CC1 ZINC000522162899 1072498516 /nfs/dbraw/zinc/49/85/16/1072498516.db2.gz FRGMVHHUKSDNQF-UHFFFAOYSA-N 2 2 445.630 -0.350 20 0 IBADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000522920703 1072585978 /nfs/dbraw/zinc/58/59/78/1072585978.db2.gz RWEQXDPSZCFHEJ-CEXWTWQISA-N 2 2 435.569 -0.632 20 0 IBADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000522920703 1072585962 /nfs/dbraw/zinc/58/59/62/1072585962.db2.gz RWEQXDPSZCFHEJ-CEXWTWQISA-N 2 2 435.569 -0.632 20 0 IBADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000522920704 1072585705 /nfs/dbraw/zinc/58/57/05/1072585705.db2.gz RWEQXDPSZCFHEJ-GBESFXJTSA-N 2 2 435.569 -0.632 20 0 IBADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000522920704 1072585697 /nfs/dbraw/zinc/58/56/97/1072585697.db2.gz RWEQXDPSZCFHEJ-GBESFXJTSA-N 2 2 435.569 -0.632 20 0 IBADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000522920705 1072585841 /nfs/dbraw/zinc/58/58/41/1072585841.db2.gz RWEQXDPSZCFHEJ-GUDVDZBRSA-N 2 2 435.569 -0.632 20 0 IBADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000522920705 1072585829 /nfs/dbraw/zinc/58/58/29/1072585829.db2.gz RWEQXDPSZCFHEJ-GUDVDZBRSA-N 2 2 435.569 -0.632 20 0 IBADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000522920706 1072585926 /nfs/dbraw/zinc/58/59/26/1072585926.db2.gz RWEQXDPSZCFHEJ-IPMKNSEASA-N 2 2 435.569 -0.632 20 0 IBADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000522920706 1072585913 /nfs/dbraw/zinc/58/59/13/1072585913.db2.gz RWEQXDPSZCFHEJ-IPMKNSEASA-N 2 2 435.569 -0.632 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)cc2)CC1 ZINC000523120264 1072632949 /nfs/dbraw/zinc/63/29/49/1072632949.db2.gz GBAGRHBKLVCALL-GOSISDBHSA-N 2 2 444.536 -0.531 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2)CC1 ZINC000523120264 1072632943 /nfs/dbraw/zinc/63/29/43/1072632943.db2.gz GBAGRHBKLVCALL-GOSISDBHSA-N 2 2 444.536 -0.531 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)cc2)CC1 ZINC000523120265 1072632870 /nfs/dbraw/zinc/63/28/70/1072632870.db2.gz GBAGRHBKLVCALL-SFHVURJKSA-N 2 2 444.536 -0.531 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2)CC1 ZINC000523120265 1072632866 /nfs/dbraw/zinc/63/28/66/1072632866.db2.gz GBAGRHBKLVCALL-SFHVURJKSA-N 2 2 444.536 -0.531 20 0 IBADLP C[NH+](C)CCn1ccc(=NC(=O)c2cncc(C(=O)N=c3ccn(CC[NH+](C)C)[nH]3)c2)[nH]1 ZINC000523279783 1072649109 /nfs/dbraw/zinc/64/91/09/1072649109.db2.gz MIIUYTJCKJYIRI-UHFFFAOYSA-N 2 2 439.524 -0.054 20 0 IBADLP CCC[NH+]1CCC(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000523336567 1072653477 /nfs/dbraw/zinc/65/34/77/1072653477.db2.gz VCYGPBAKFRBDMT-UHFFFAOYSA-N 2 2 430.619 -0.072 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000523628244 1072665835 /nfs/dbraw/zinc/66/58/35/1072665835.db2.gz YSUTUVVLKUBLBU-GOSISDBHSA-N 2 2 432.573 -0.160 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000523628244 1072665832 /nfs/dbraw/zinc/66/58/32/1072665832.db2.gz YSUTUVVLKUBLBU-GOSISDBHSA-N 2 2 432.573 -0.160 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000523628245 1072665688 /nfs/dbraw/zinc/66/56/88/1072665688.db2.gz YSUTUVVLKUBLBU-SFHVURJKSA-N 2 2 432.573 -0.160 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000523628245 1072665685 /nfs/dbraw/zinc/66/56/85/1072665685.db2.gz YSUTUVVLKUBLBU-SFHVURJKSA-N 2 2 432.573 -0.160 20 0 IBADLP CN(C(=O)CCn1nc2ccccn2c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000523954067 1072689042 /nfs/dbraw/zinc/68/90/42/1072689042.db2.gz MNLHNHCSGZVMEG-UHFFFAOYSA-N 2 2 443.552 -0.417 20 0 IBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524589508 1072714057 /nfs/dbraw/zinc/71/40/57/1072714057.db2.gz HICSOGHZWNYGTK-KRWDZBQOSA-N 2 2 431.541 -0.241 20 0 IBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524589508 1072714049 /nfs/dbraw/zinc/71/40/49/1072714049.db2.gz HICSOGHZWNYGTK-KRWDZBQOSA-N 2 2 431.541 -0.241 20 0 IBADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524589510 1072714118 /nfs/dbraw/zinc/71/41/18/1072714118.db2.gz HICSOGHZWNYGTK-QGZVFWFLSA-N 2 2 431.541 -0.241 20 0 IBADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524589510 1072714111 /nfs/dbraw/zinc/71/41/11/1072714111.db2.gz HICSOGHZWNYGTK-QGZVFWFLSA-N 2 2 431.541 -0.241 20 0 IBADLP C[NH+](C)CC(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000524991099 1072731552 /nfs/dbraw/zinc/73/15/52/1072731552.db2.gz SSRQTXCPGUTKLC-UHFFFAOYSA-N 2 2 429.565 -0.029 20 0 IBADLP C[NH+]1CCC(O)(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000525419163 1072753994 /nfs/dbraw/zinc/75/39/94/1072753994.db2.gz INXGKONIABIMCP-UHFFFAOYSA-N 2 2 440.570 -0.711 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNc1cc(C(F)(F)F)nc(NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000525705843 1072770936 /nfs/dbraw/zinc/77/09/36/1072770936.db2.gz STSKNUPMYHNZEZ-CABCVRRESA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNc1cc(C(F)(F)F)nc(NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000525705843 1072770929 /nfs/dbraw/zinc/77/09/29/1072770929.db2.gz STSKNUPMYHNZEZ-CABCVRRESA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNc1cc(C(F)(F)F)nc(NC[C@H]2C[NH+](C)CCN2C)n1 ZINC000525705843 1072770920 /nfs/dbraw/zinc/77/09/20/1072770920.db2.gz STSKNUPMYHNZEZ-CABCVRRESA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNc1cc(C(F)(F)F)nc(NC[C@H]2C[NH+](C)CCN2C)n1 ZINC000525705843 1072770916 /nfs/dbraw/zinc/77/09/16/1072770916.db2.gz STSKNUPMYHNZEZ-CABCVRRESA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[NH+](C)C[C@@H]1CNc1cc(C(F)(F)F)nc(NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000525705844 1072770713 /nfs/dbraw/zinc/77/07/13/1072770713.db2.gz STSKNUPMYHNZEZ-GJZGRUSLSA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[NH+](C)C[C@@H]1CNc1cc(C(F)(F)F)nc(NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000525705844 1072770701 /nfs/dbraw/zinc/77/07/01/1072770701.db2.gz STSKNUPMYHNZEZ-GJZGRUSLSA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[NH+](C)C[C@@H]1CNc1nc(NC[C@H]2C[N@H+](C)CCN2C)cc(C(F)(F)F)n1 ZINC000525705844 1072770693 /nfs/dbraw/zinc/77/06/93/1072770693.db2.gz STSKNUPMYHNZEZ-GJZGRUSLSA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[NH+](C)C[C@@H]1CNc1nc(NC[C@H]2C[N@@H+](C)CCN2C)cc(C(F)(F)F)n1 ZINC000525705844 1072770667 /nfs/dbraw/zinc/77/06/67/1072770667.db2.gz STSKNUPMYHNZEZ-GJZGRUSLSA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNc1cc(C(F)(F)F)nc(NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000525705845 1072770793 /nfs/dbraw/zinc/77/07/93/1072770793.db2.gz STSKNUPMYHNZEZ-HUUCEWRRSA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNc1cc(C(F)(F)F)nc(NC[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000525705845 1072770788 /nfs/dbraw/zinc/77/07/88/1072770788.db2.gz STSKNUPMYHNZEZ-HUUCEWRRSA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNc1nc(NC[C@@H]2C[N@H+](C)CCN2C)cc(C(F)(F)F)n1 ZINC000525705845 1072770778 /nfs/dbraw/zinc/77/07/78/1072770778.db2.gz STSKNUPMYHNZEZ-HUUCEWRRSA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNc1nc(NC[C@@H]2C[N@@H+](C)CCN2C)cc(C(F)(F)F)n1 ZINC000525705845 1072770773 /nfs/dbraw/zinc/77/07/73/1072770773.db2.gz STSKNUPMYHNZEZ-HUUCEWRRSA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNc1nc(NC[C@H]2C[NH+](C)CCN2C)cc(C(F)(F)F)n1 ZINC000525705846 1072770761 /nfs/dbraw/zinc/77/07/61/1072770761.db2.gz STSKNUPMYHNZEZ-LSDHHAIUSA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNc1nc(NC[C@H]2C[NH+](C)CCN2C)cc(C(F)(F)F)n1 ZINC000525705846 1072770750 /nfs/dbraw/zinc/77/07/50/1072770750.db2.gz STSKNUPMYHNZEZ-LSDHHAIUSA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNc1nc(NC[C@H]2C[N@H+](C)CCN2C)cc(C(F)(F)F)n1 ZINC000525705846 1072770741 /nfs/dbraw/zinc/77/07/41/1072770741.db2.gz STSKNUPMYHNZEZ-LSDHHAIUSA-N 2 2 430.523 -0.345 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNc1nc(NC[C@H]2C[N@@H+](C)CCN2C)cc(C(F)(F)F)n1 ZINC000525705846 1072770736 /nfs/dbraw/zinc/77/07/36/1072770736.db2.gz STSKNUPMYHNZEZ-LSDHHAIUSA-N 2 2 430.523 -0.345 20 0 IBADLP O=C(NCC[NH+]1CCCOCC1)c1cc(S(=O)(=O)NCC[N@H+]2CCCOCC2)c[nH]1 ZINC000525836315 1072775267 /nfs/dbraw/zinc/77/52/67/1072775267.db2.gz YVLLFJVNGLRYHI-UHFFFAOYSA-N 2 2 443.570 -0.533 20 0 IBADLP O=C(NCC[NH+]1CCCOCC1)c1cc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c[nH]1 ZINC000525836315 1072775261 /nfs/dbraw/zinc/77/52/61/1072775261.db2.gz YVLLFJVNGLRYHI-UHFFFAOYSA-N 2 2 443.570 -0.533 20 0 IBADLP O=C(NCC[N@H+]1CCCOCC1)c1cc(S(=O)(=O)NCC[NH+]2CCCOCC2)c[nH]1 ZINC000525836315 1072775256 /nfs/dbraw/zinc/77/52/56/1072775256.db2.gz YVLLFJVNGLRYHI-UHFFFAOYSA-N 2 2 443.570 -0.533 20 0 IBADLP O=C(NCC[N@@H+]1CCCOCC1)c1cc(S(=O)(=O)NCC[NH+]2CCCOCC2)c[nH]1 ZINC000525836315 1072775251 /nfs/dbraw/zinc/77/52/51/1072775251.db2.gz YVLLFJVNGLRYHI-UHFFFAOYSA-N 2 2 443.570 -0.533 20 0 IBADLP O=C(NCC[N@H+]1CCCOCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000525844436 1072776123 /nfs/dbraw/zinc/77/61/23/1072776123.db2.gz SLZUILKAVQCHOD-UHFFFAOYSA-N 2 2 440.570 -0.445 20 0 IBADLP O=C(NCC[N@@H+]1CCCOCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000525844436 1072776117 /nfs/dbraw/zinc/77/61/17/1072776117.db2.gz SLZUILKAVQCHOD-UHFFFAOYSA-N 2 2 440.570 -0.445 20 0 IBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000525882835 1072778766 /nfs/dbraw/zinc/77/87/66/1072778766.db2.gz VLVMQBIISOABPJ-UHFFFAOYSA-N 3 2 433.557 -0.641 20 0 IBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000527374283 1072807122 /nfs/dbraw/zinc/80/71/22/1072807122.db2.gz JQPBBBIVVZERAK-UHFFFAOYSA-N 3 2 432.569 -0.036 20 0 IBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)c1 ZINC000532598396 1072883347 /nfs/dbraw/zinc/88/33/47/1072883347.db2.gz VGDDANIGKGOBOZ-UHFFFAOYSA-N 2 2 443.508 -0.094 20 0 IBADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000532599806 1072883881 /nfs/dbraw/zinc/88/38/81/1072883881.db2.gz MJGAOTLLVUCLBC-IBGZPJMESA-N 2 2 447.584 -0.218 20 0 IBADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000532599806 1072883869 /nfs/dbraw/zinc/88/38/69/1072883869.db2.gz MJGAOTLLVUCLBC-IBGZPJMESA-N 2 2 447.584 -0.218 20 0 IBADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000532599807 1072883626 /nfs/dbraw/zinc/88/36/26/1072883626.db2.gz MJGAOTLLVUCLBC-LJQANCHMSA-N 2 2 447.584 -0.218 20 0 IBADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000532599807 1072883616 /nfs/dbraw/zinc/88/36/16/1072883616.db2.gz MJGAOTLLVUCLBC-LJQANCHMSA-N 2 2 447.584 -0.218 20 0 IBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000532610326 1072884940 /nfs/dbraw/zinc/88/49/40/1072884940.db2.gz JKUMWBFVKIMCBQ-UHFFFAOYSA-N 2 2 434.541 -0.275 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1 ZINC000532636024 1072885326 /nfs/dbraw/zinc/88/53/26/1072885326.db2.gz PONSIJBLAMLPPD-MSOLQXFVSA-N 2 2 449.556 -0.741 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1 ZINC000532636025 1072885344 /nfs/dbraw/zinc/88/53/44/1072885344.db2.gz PONSIJBLAMLPPD-QZTJIDSGSA-N 2 2 449.556 -0.741 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1 ZINC000532636026 1072885477 /nfs/dbraw/zinc/88/54/77/1072885477.db2.gz PONSIJBLAMLPPD-ROUUACIJSA-N 2 2 449.556 -0.741 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1 ZINC000532636027 1072885154 /nfs/dbraw/zinc/88/51/54/1072885154.db2.gz PONSIJBLAMLPPD-ZWKOTPCHSA-N 2 2 449.556 -0.741 20 0 IBADLP CN(CCCNC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)S(C)(=O)=O ZINC000532704080 1072895253 /nfs/dbraw/zinc/89/52/53/1072895253.db2.gz XQNADYCTBHKAEW-UHFFFAOYSA-N 2 2 431.603 -0.740 20 0 IBADLP Cn1cc[nH+]c1N1CCN(C(=O)COCC(=O)N2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000532992418 1072914975 /nfs/dbraw/zinc/91/49/75/1072914975.db2.gz JOECKXFIXORVCI-UHFFFAOYSA-N 2 2 430.513 -0.832 20 0 IBADLP Cc1nc(N2CCN(C(=O)C[NH+](C)C)CC2)cc(N2CCN(C(=O)C[NH+](C)C)CC2)[nH+]1 ZINC000533100934 1072923174 /nfs/dbraw/zinc/92/31/74/1072923174.db2.gz DDSAIFXFPXWWIR-UHFFFAOYSA-N 3 2 432.573 -0.795 20 0 IBADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000533320479 1072933157 /nfs/dbraw/zinc/93/31/57/1072933157.db2.gz ZLYHICWRVPASJA-FQEVSTJZSA-N 2 2 447.584 -0.218 20 0 IBADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000533320479 1072933147 /nfs/dbraw/zinc/93/31/47/1072933147.db2.gz ZLYHICWRVPASJA-FQEVSTJZSA-N 2 2 447.584 -0.218 20 0 IBADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000533320480 1072933261 /nfs/dbraw/zinc/93/32/61/1072933261.db2.gz ZLYHICWRVPASJA-HXUWFJFHSA-N 2 2 447.584 -0.218 20 0 IBADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000533320480 1072933251 /nfs/dbraw/zinc/93/32/51/1072933251.db2.gz ZLYHICWRVPASJA-HXUWFJFHSA-N 2 2 447.584 -0.218 20 0 IBADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000533377111 1072935785 /nfs/dbraw/zinc/93/57/85/1072935785.db2.gz GSJPCSXWVQLNPI-UHFFFAOYSA-N 2 2 436.601 -0.905 20 0 IBADLP CNS(=O)(=O)[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533381792 1072938100 /nfs/dbraw/zinc/93/81/00/1072938100.db2.gz ZDLSKQLESQOQPN-HOTGVXAUSA-N 2 2 426.605 -0.970 20 0 IBADLP CNS(=O)(=O)[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533381792 1072938093 /nfs/dbraw/zinc/93/80/93/1072938093.db2.gz ZDLSKQLESQOQPN-HOTGVXAUSA-N 2 2 426.605 -0.970 20 0 IBADLP CNS(=O)(=O)[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000533381793 1072937986 /nfs/dbraw/zinc/93/79/86/1072937986.db2.gz ZDLSKQLESQOQPN-HZPDHXFCSA-N 2 2 426.605 -0.970 20 0 IBADLP CNS(=O)(=O)[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000533381793 1072937984 /nfs/dbraw/zinc/93/79/84/1072937984.db2.gz ZDLSKQLESQOQPN-HZPDHXFCSA-N 2 2 426.605 -0.970 20 0 IBADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533381794 1072937847 /nfs/dbraw/zinc/93/78/47/1072937847.db2.gz ZDLSKQLESQOQPN-IYBDPMFKSA-N 2 2 426.605 -0.970 20 0 IBADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533381794 1072937840 /nfs/dbraw/zinc/93/78/40/1072937840.db2.gz ZDLSKQLESQOQPN-IYBDPMFKSA-N 2 2 426.605 -0.970 20 0 IBADLP CNS(=O)(=O)[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533381794 1072937836 /nfs/dbraw/zinc/93/78/36/1072937836.db2.gz ZDLSKQLESQOQPN-IYBDPMFKSA-N 2 2 426.605 -0.970 20 0 IBADLP CNS(=O)(=O)[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533381794 1072937831 /nfs/dbraw/zinc/93/78/31/1072937831.db2.gz ZDLSKQLESQOQPN-IYBDPMFKSA-N 2 2 426.605 -0.970 20 0 IBADLP O=C(CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000533382864 1072938389 /nfs/dbraw/zinc/93/83/89/1072938389.db2.gz PEUCBIAEHKQCHB-MSOLQXFVSA-N 2 2 437.566 -0.792 20 0 IBADLP O=C(CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000533382865 1072938949 /nfs/dbraw/zinc/93/89/49/1072938949.db2.gz PEUCBIAEHKQCHB-QZTJIDSGSA-N 2 2 437.566 -0.792 20 0 IBADLP O=C(CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000533382866 1072938994 /nfs/dbraw/zinc/93/89/94/1072938994.db2.gz PEUCBIAEHKQCHB-ROUUACIJSA-N 2 2 437.566 -0.792 20 0 IBADLP O=C(CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000533382867 1072939202 /nfs/dbraw/zinc/93/92/02/1072939202.db2.gz PEUCBIAEHKQCHB-ZWKOTPCHSA-N 2 2 437.566 -0.792 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)CC1 ZINC000533418641 1072940820 /nfs/dbraw/zinc/94/08/20/1072940820.db2.gz LXEDRWGDIMGVFE-HNNXBMFYSA-N 2 2 448.568 -0.496 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)CC1 ZINC000533418646 1072940699 /nfs/dbraw/zinc/94/06/99/1072940699.db2.gz LXEDRWGDIMGVFE-OAHLLOKOSA-N 2 2 448.568 -0.496 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CC[C@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000533432727 1072942008 /nfs/dbraw/zinc/94/20/08/1072942008.db2.gz FQDNNEUNTIAJFV-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CC[C@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000533432727 1072942003 /nfs/dbraw/zinc/94/20/03/1072942003.db2.gz FQDNNEUNTIAJFV-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000533432727 1072941998 /nfs/dbraw/zinc/94/19/98/1072941998.db2.gz FQDNNEUNTIAJFV-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CS(=O)(=O)N[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000533432727 1072941994 /nfs/dbraw/zinc/94/19/94/1072941994.db2.gz FQDNNEUNTIAJFV-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000533435233 1072942530 /nfs/dbraw/zinc/94/25/30/1072942530.db2.gz NQVCBORDICBBQB-UHFFFAOYSA-N 2 2 430.557 -0.210 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000533435233 1072942525 /nfs/dbraw/zinc/94/25/25/1072942525.db2.gz NQVCBORDICBBQB-UHFFFAOYSA-N 2 2 430.557 -0.210 20 0 IBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)c1 ZINC000533456261 1073349546 /nfs/dbraw/zinc/34/95/46/1073349546.db2.gz AMNXDPOEERSMPZ-UHFFFAOYSA-N 2 2 443.508 -0.094 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000533464058 1073333993 /nfs/dbraw/zinc/33/39/93/1073333993.db2.gz XLRKZYWRQVXABH-UHFFFAOYSA-N 2 2 434.541 -0.275 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CC[C@H](S(=O)(=O)NC)C3)cc2)C1 ZINC000533545424 1072950064 /nfs/dbraw/zinc/95/00/64/1072950064.db2.gz XEMIFOMAJZQQLS-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CC[C@H](S(=O)(=O)NC)C3)cc2)C1 ZINC000533545424 1072950054 /nfs/dbraw/zinc/95/00/54/1072950054.db2.gz XEMIFOMAJZQQLS-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](S(=O)(=O)NC)C3)cc2)C1 ZINC000533545424 1072950047 /nfs/dbraw/zinc/95/00/47/1072950047.db2.gz XEMIFOMAJZQQLS-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@H](S(=O)(=O)NC)C3)cc2)C1 ZINC000533545424 1072950040 /nfs/dbraw/zinc/95/00/40/1072950040.db2.gz XEMIFOMAJZQQLS-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000533813029 1072962600 /nfs/dbraw/zinc/96/26/00/1072962600.db2.gz VDUYDCQMRUZFPF-UHFFFAOYSA-N 2 2 432.573 -0.160 20 0 IBADLP CC[C@H](CO)[NH+]1CCN(C(=O)CSCC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000533978394 1072400893 /nfs/dbraw/zinc/40/08/93/1072400893.db2.gz QMIFLPQSJBXBSO-HDICACEKSA-N 2 2 430.615 -0.450 20 0 IBADLP CC[C@H](CO)[NH+]1CCN(C(=O)CSCC(=O)N2CC[NH+]([C@H](CC)CO)CC2)CC1 ZINC000533978395 1072400868 /nfs/dbraw/zinc/40/08/68/1072400868.db2.gz QMIFLPQSJBXBSO-QZTJIDSGSA-N 2 2 430.615 -0.450 20 0 IBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)CSCC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000533978396 1072400979 /nfs/dbraw/zinc/40/09/79/1072400979.db2.gz QMIFLPQSJBXBSO-ROUUACIJSA-N 2 2 430.615 -0.450 20 0 IBADLP Cn1cc[nH+]c1N1CCN(C(=O)CSCC(=O)N2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000534530079 1072420872 /nfs/dbraw/zinc/42/08/72/1072420872.db2.gz JPIITEYTWVPBAS-UHFFFAOYSA-N 2 2 446.581 -0.116 20 0 IBADLP CCCCS(=O)(=O)NCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000534812724 1072427487 /nfs/dbraw/zinc/42/74/87/1072427487.db2.gz YJKJJYSQADWWQJ-UHFFFAOYSA-N 2 2 431.603 -0.597 20 0 IBADLP O=C(CN1CCN(C(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1)N1CCOCC1 ZINC000534861775 1073378566 /nfs/dbraw/zinc/37/85/66/1073378566.db2.gz AUWFGVQRSMUCKD-UHFFFAOYSA-N 2 2 430.553 -0.039 20 0 IBADLP O=C(NCCNc1cc[nH+]cc1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000536016522 1071163894 /nfs/dbraw/zinc/16/38/94/1071163894.db2.gz DEOYEAJAHLHXRP-UHFFFAOYSA-N 2 2 433.538 -0.238 20 0 IBADLP CC(C)(O)C[NH+]1CCN(C(=O)CSCC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000536018567 1071164531 /nfs/dbraw/zinc/16/45/31/1071164531.db2.gz QXDNHCMBXSFTDB-UHFFFAOYSA-N 2 2 430.615 -0.450 20 0 IBADLP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000536430161 1072294896 /nfs/dbraw/zinc/29/48/96/1072294896.db2.gz OFSMOTIKZXWLFN-ACRUOGEOSA-N 2 2 430.549 -0.081 20 0 IBADLP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000536430161 1072294885 /nfs/dbraw/zinc/29/48/85/1072294885.db2.gz OFSMOTIKZXWLFN-ACRUOGEOSA-N 2 2 430.549 -0.081 20 0 IBADLP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000536430162 1072294806 /nfs/dbraw/zinc/29/48/06/1072294806.db2.gz OFSMOTIKZXWLFN-HKBOAZHASA-N 2 2 430.549 -0.081 20 0 IBADLP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000536430162 1072294797 /nfs/dbraw/zinc/29/47/97/1072294797.db2.gz OFSMOTIKZXWLFN-HKBOAZHASA-N 2 2 430.549 -0.081 20 0 IBADLP O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000536430166 1071059868 /nfs/dbraw/zinc/05/98/68/1071059868.db2.gz OFSMOTIKZXWLFN-PCCBWWKXSA-N 2 2 430.549 -0.081 20 0 IBADLP O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000536430166 1071059858 /nfs/dbraw/zinc/05/98/58/1071059858.db2.gz OFSMOTIKZXWLFN-PCCBWWKXSA-N 2 2 430.549 -0.081 20 0 IBADLP O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000536430167 1072294579 /nfs/dbraw/zinc/29/45/79/1072294579.db2.gz OFSMOTIKZXWLFN-QHAWAJNXSA-N 2 2 430.549 -0.081 20 0 IBADLP O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000536430167 1072294571 /nfs/dbraw/zinc/29/45/71/1072294571.db2.gz OFSMOTIKZXWLFN-QHAWAJNXSA-N 2 2 430.549 -0.081 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542283 1072886533 /nfs/dbraw/zinc/88/65/33/1072886533.db2.gz FXZXZLLBKAFIJZ-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542283 1072886515 /nfs/dbraw/zinc/88/65/15/1072886515.db2.gz FXZXZLLBKAFIJZ-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542283 1072886497 /nfs/dbraw/zinc/88/64/97/1072886497.db2.gz FXZXZLLBKAFIJZ-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CNS(=O)(=O)[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542283 1072886479 /nfs/dbraw/zinc/88/64/79/1072886479.db2.gz FXZXZLLBKAFIJZ-HDICACEKSA-N 2 2 430.596 -0.066 20 0 IBADLP CCNS(=O)(=O)[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536561420 1072887585 /nfs/dbraw/zinc/88/75/85/1072887585.db2.gz DAWUVLLXQICCKP-HOTGVXAUSA-N 2 2 426.605 -0.970 20 0 IBADLP CCNS(=O)(=O)[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536561420 1072887578 /nfs/dbraw/zinc/88/75/78/1072887578.db2.gz DAWUVLLXQICCKP-HOTGVXAUSA-N 2 2 426.605 -0.970 20 0 IBADLP CCNS(=O)(=O)[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000536561421 1072887879 /nfs/dbraw/zinc/88/78/79/1072887879.db2.gz DAWUVLLXQICCKP-HZPDHXFCSA-N 2 2 426.605 -0.970 20 0 IBADLP CCNS(=O)(=O)[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000536561421 1072887868 /nfs/dbraw/zinc/88/78/68/1072887868.db2.gz DAWUVLLXQICCKP-HZPDHXFCSA-N 2 2 426.605 -0.970 20 0 IBADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536561422 1072887706 /nfs/dbraw/zinc/88/77/06/1072887706.db2.gz DAWUVLLXQICCKP-IYBDPMFKSA-N 2 2 426.605 -0.970 20 0 IBADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536561422 1072887696 /nfs/dbraw/zinc/88/76/96/1072887696.db2.gz DAWUVLLXQICCKP-IYBDPMFKSA-N 2 2 426.605 -0.970 20 0 IBADLP CCNS(=O)(=O)[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536561422 1072887689 /nfs/dbraw/zinc/88/76/89/1072887689.db2.gz DAWUVLLXQICCKP-IYBDPMFKSA-N 2 2 426.605 -0.970 20 0 IBADLP CCNS(=O)(=O)[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536561422 1072887685 /nfs/dbraw/zinc/88/76/85/1072887685.db2.gz DAWUVLLXQICCKP-IYBDPMFKSA-N 2 2 426.605 -0.970 20 0 IBADLP C[NH+](CCc1cnccn1)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCc2cnccn2)CC1 ZINC000536719631 1072967387 /nfs/dbraw/zinc/96/73/87/1072967387.db2.gz WDMULKOEFMVEDF-UHFFFAOYSA-N 2 2 440.552 -0.414 20 0 IBADLP C[NH+](CCc1cnccn1)CC(=O)N1CCN(C(=O)C[N@H+](C)CCc2cnccn2)CC1 ZINC000536719631 1072967385 /nfs/dbraw/zinc/96/73/85/1072967385.db2.gz WDMULKOEFMVEDF-UHFFFAOYSA-N 2 2 440.552 -0.414 20 0 IBADLP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000536994686 1072971691 /nfs/dbraw/zinc/97/16/91/1072971691.db2.gz LZSKQFCAMMWKCA-UHFFFAOYSA-N 2 2 438.550 -0.618 20 0 IBADLP CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000537274909 1072980283 /nfs/dbraw/zinc/98/02/83/1072980283.db2.gz UVDKIZGXAZBDDI-GOSISDBHSA-N 2 2 446.552 -0.383 20 0 IBADLP CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000537274910 1072980088 /nfs/dbraw/zinc/98/00/88/1072980088.db2.gz UVDKIZGXAZBDDI-SFHVURJKSA-N 2 2 446.552 -0.383 20 0 IBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)ccn2)CC1 ZINC000537275248 1072980149 /nfs/dbraw/zinc/98/01/49/1072980149.db2.gz FJNDUGMSAWNJNA-KRWDZBQOSA-N 2 2 444.536 -0.412 20 0 IBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)ccn2)CC1 ZINC000537275259 1072980214 /nfs/dbraw/zinc/98/02/14/1072980214.db2.gz FJNDUGMSAWNJNA-QGZVFWFLSA-N 2 2 444.536 -0.412 20 0 IBADLP C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCSC1 ZINC000537275972 1072980049 /nfs/dbraw/zinc/98/00/49/1072980049.db2.gz LAPQXBMRQWPCAB-FQEVSTJZSA-N 2 2 434.566 -0.039 20 0 IBADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCSC1 ZINC000537275976 1072980263 /nfs/dbraw/zinc/98/02/63/1072980263.db2.gz LAPQXBMRQWPCAB-HXUWFJFHSA-N 2 2 434.566 -0.039 20 0 IBADLP CN(C(=O)c1ccc(S(N)(=O)=O)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000537311378 1072981850 /nfs/dbraw/zinc/98/18/50/1072981850.db2.gz MNKMKLMXRGNRKU-UHFFFAOYSA-N 2 2 437.566 -0.356 20 0 IBADLP CN(C(=O)c1cnc2c(c1)NC(=O)CO2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000537737295 1073119285 /nfs/dbraw/zinc/11/92/85/1073119285.db2.gz NKZBVVIKIKXZBO-UHFFFAOYSA-N 2 2 430.509 -0.277 20 0 IBADLP CC[NH+]1CCN(CC(=O)N(C2CC2)[C@H]2CCN(C(=O)CN3CC[NH+](CC)CC3)C2)CC1 ZINC000537920704 1073126796 /nfs/dbraw/zinc/12/67/96/1073126796.db2.gz FPBJYLYWNOPFGB-NRFANRHFSA-N 2 2 434.629 -0.147 20 0 IBADLP CC[NH+]1CCN(CC(=O)N(C2CC2)[C@@H]2CCN(C(=O)CN3CC[NH+](CC)CC3)C2)CC1 ZINC000537920705 1073126718 /nfs/dbraw/zinc/12/67/18/1073126718.db2.gz FPBJYLYWNOPFGB-OAQYLSRUSA-N 2 2 434.629 -0.147 20 0 IBADLP NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000538096526 1073136434 /nfs/dbraw/zinc/13/64/34/1073136434.db2.gz KFOBYPDVNJRQTO-UHFFFAOYSA-N 2 2 440.566 -0.848 20 0 IBADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000538097085 1073137137 /nfs/dbraw/zinc/13/71/37/1073137137.db2.gz QBEDOXGUVZXGQR-HNNXBMFYSA-N 2 2 426.539 -0.180 20 0 IBADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000538097086 1073137171 /nfs/dbraw/zinc/13/71/71/1073137171.db2.gz QBEDOXGUVZXGQR-OAHLLOKOSA-N 2 2 426.539 -0.180 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000538145846 1073139504 /nfs/dbraw/zinc/13/95/04/1073139504.db2.gz ZYGRFSIDNBKJGV-IBGZPJMESA-N 2 2 429.631 -0.725 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000538145846 1073139501 /nfs/dbraw/zinc/13/95/01/1073139501.db2.gz ZYGRFSIDNBKJGV-IBGZPJMESA-N 2 2 429.631 -0.725 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000538145850 1073139529 /nfs/dbraw/zinc/13/95/29/1073139529.db2.gz ZYGRFSIDNBKJGV-LJQANCHMSA-N 2 2 429.631 -0.725 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000538145850 1073139525 /nfs/dbraw/zinc/13/95/25/1073139525.db2.gz ZYGRFSIDNBKJGV-LJQANCHMSA-N 2 2 429.631 -0.725 20 0 IBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000538379313 1073148625 /nfs/dbraw/zinc/14/86/25/1073148625.db2.gz CHPBZZVXQWQUKI-KRWDZBQOSA-N 2 2 432.525 -0.365 20 0 IBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000538379313 1073148621 /nfs/dbraw/zinc/14/86/21/1073148621.db2.gz CHPBZZVXQWQUKI-KRWDZBQOSA-N 2 2 432.525 -0.365 20 0 IBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000538379315 1073148702 /nfs/dbraw/zinc/14/87/02/1073148702.db2.gz CHPBZZVXQWQUKI-QGZVFWFLSA-N 2 2 432.525 -0.365 20 0 IBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000538379315 1073148700 /nfs/dbraw/zinc/14/87/00/1073148700.db2.gz CHPBZZVXQWQUKI-QGZVFWFLSA-N 2 2 432.525 -0.365 20 0 IBADLP Cn1cc[nH+]c1N1CCN(C(=O)CC(O)CC(=O)N2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000538387513 1073149634 /nfs/dbraw/zinc/14/96/34/1073149634.db2.gz PDGGKUFFURNSNP-UHFFFAOYSA-N 2 2 444.540 -0.708 20 0 IBADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000539146597 1073174811 /nfs/dbraw/zinc/17/48/11/1073174811.db2.gz GYOFTTAZJOCJQA-HDICACEKSA-N 2 2 448.630 -0.026 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000539146607 1073174900 /nfs/dbraw/zinc/17/49/00/1073174900.db2.gz GYOFTTAZJOCJQA-QZTJIDSGSA-N 2 2 448.630 -0.026 20 0 IBADLP C[C@H]1C[NH+](CCOC2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000539146610 1073174929 /nfs/dbraw/zinc/17/49/29/1073174929.db2.gz GYOFTTAZJOCJQA-ROUUACIJSA-N 2 2 448.630 -0.026 20 0 IBADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)CC1 ZINC000539191079 1073183258 /nfs/dbraw/zinc/18/32/58/1073183258.db2.gz GXXFCXNQWKJLKN-FQEVSTJZSA-N 2 2 447.584 -0.219 20 0 IBADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)CC1 ZINC000539191080 1073183288 /nfs/dbraw/zinc/18/32/88/1073183288.db2.gz GXXFCXNQWKJLKN-HXUWFJFHSA-N 2 2 447.584 -0.219 20 0 IBADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000539196766 1073180818 /nfs/dbraw/zinc/18/08/18/1073180818.db2.gz LCSMJDHFQMZNAY-HNNXBMFYSA-N 2 2 426.539 -0.180 20 0 IBADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000539196767 1073180698 /nfs/dbraw/zinc/18/06/98/1073180698.db2.gz LCSMJDHFQMZNAY-OAHLLOKOSA-N 2 2 426.539 -0.180 20 0 IBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000539431446 1072447309 /nfs/dbraw/zinc/44/73/09/1072447309.db2.gz ITTDFDAZFYQWLI-GOSISDBHSA-N 2 2 446.552 -0.119 20 0 IBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000539431446 1072447304 /nfs/dbraw/zinc/44/73/04/1072447304.db2.gz ITTDFDAZFYQWLI-GOSISDBHSA-N 2 2 446.552 -0.119 20 0 IBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000539431447 1072447408 /nfs/dbraw/zinc/44/74/08/1072447408.db2.gz ITTDFDAZFYQWLI-SFHVURJKSA-N 2 2 446.552 -0.119 20 0 IBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000539431447 1072447402 /nfs/dbraw/zinc/44/74/02/1072447402.db2.gz ITTDFDAZFYQWLI-SFHVURJKSA-N 2 2 446.552 -0.119 20 0 IBADLP CC(C)[C@@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)N1CCOCC1 ZINC000540457644 1072499895 /nfs/dbraw/zinc/49/98/95/1072499895.db2.gz GIAABTAJXWZWHX-GOSISDBHSA-N 2 2 444.540 -0.515 20 0 IBADLP CC(C)[C@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)N1CCOCC1 ZINC000540457648 1072499757 /nfs/dbraw/zinc/49/97/57/1072499757.db2.gz GIAABTAJXWZWHX-SFHVURJKSA-N 2 2 444.540 -0.515 20 0 IBADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540579050 1072506256 /nfs/dbraw/zinc/50/62/56/1072506256.db2.gz QZESWLSZYKHNEQ-GOSISDBHSA-N 2 2 446.552 -0.023 20 0 IBADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540579052 1072506346 /nfs/dbraw/zinc/50/63/46/1072506346.db2.gz QZESWLSZYKHNEQ-SFHVURJKSA-N 2 2 446.552 -0.023 20 0 IBADLP CC[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@H+]1C[C@@H](C)O ZINC000540582525 1072506727 /nfs/dbraw/zinc/50/67/27/1072506727.db2.gz VBXODJGSOIZNNH-AEFFLSMTSA-N 2 2 446.552 -0.289 20 0 IBADLP CC[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000540582525 1072506719 /nfs/dbraw/zinc/50/67/19/1072506719.db2.gz VBXODJGSOIZNNH-AEFFLSMTSA-N 2 2 446.552 -0.289 20 0 IBADLP CC[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@H+]1C[C@H](C)O ZINC000540582527 1072506305 /nfs/dbraw/zinc/50/63/05/1072506305.db2.gz VBXODJGSOIZNNH-FUHWJXTLSA-N 2 2 446.552 -0.289 20 0 IBADLP CC[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@@H+]1C[C@H](C)O ZINC000540582527 1072506299 /nfs/dbraw/zinc/50/62/99/1072506299.db2.gz VBXODJGSOIZNNH-FUHWJXTLSA-N 2 2 446.552 -0.289 20 0 IBADLP CC[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@H+]1C[C@@H](C)O ZINC000540582530 1072506402 /nfs/dbraw/zinc/50/64/02/1072506402.db2.gz VBXODJGSOIZNNH-SJLPKXTDSA-N 2 2 446.552 -0.289 20 0 IBADLP CC[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000540582530 1072506392 /nfs/dbraw/zinc/50/63/92/1072506392.db2.gz VBXODJGSOIZNNH-SJLPKXTDSA-N 2 2 446.552 -0.289 20 0 IBADLP CC[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@H+]1C[C@H](C)O ZINC000540582531 1072506595 /nfs/dbraw/zinc/50/65/95/1072506595.db2.gz VBXODJGSOIZNNH-WMZOPIPTSA-N 2 2 446.552 -0.289 20 0 IBADLP CC[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC[N@@H+]1C[C@H](C)O ZINC000540582531 1072506581 /nfs/dbraw/zinc/50/65/81/1072506581.db2.gz VBXODJGSOIZNNH-WMZOPIPTSA-N 2 2 446.552 -0.289 20 0 IBADLP COC(=O)CN1CCC([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000544023537 1074520061 /nfs/dbraw/zinc/52/00/61/1074520061.db2.gz UTYGBLXFQIRPFF-UHFFFAOYSA-N 2 2 425.555 -0.240 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H](c3cnn(C)c3)C2)C1 ZINC000544288204 1074534110 /nfs/dbraw/zinc/53/41/10/1074534110.db2.gz FDQYHXISFJXRGK-AABGKKOBSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H](c3cnn(C)c3)C2)C1 ZINC000544288204 1074534108 /nfs/dbraw/zinc/53/41/08/1074534108.db2.gz FDQYHXISFJXRGK-AABGKKOBSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2c2cnn(C)c2)C1 ZINC000544288204 1074534105 /nfs/dbraw/zinc/53/41/05/1074534105.db2.gz FDQYHXISFJXRGK-AABGKKOBSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2c2cnn(C)c2)C1 ZINC000544288204 1074534099 /nfs/dbraw/zinc/53/40/99/1074534099.db2.gz FDQYHXISFJXRGK-AABGKKOBSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H](c3cnn(C)c3)C2)C1 ZINC000544288207 1074534059 /nfs/dbraw/zinc/53/40/59/1074534059.db2.gz FDQYHXISFJXRGK-HSALFYBXSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H](c3cnn(C)c3)C2)C1 ZINC000544288207 1074534053 /nfs/dbraw/zinc/53/40/53/1074534053.db2.gz FDQYHXISFJXRGK-HSALFYBXSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2c2cnn(C)c2)C1 ZINC000544288207 1074534050 /nfs/dbraw/zinc/53/40/50/1074534050.db2.gz FDQYHXISFJXRGK-HSALFYBXSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2c2cnn(C)c2)C1 ZINC000544288207 1074534042 /nfs/dbraw/zinc/53/40/42/1074534042.db2.gz FDQYHXISFJXRGK-HSALFYBXSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H](c3cnn(C)c3)C2)C1 ZINC000544288209 1074534213 /nfs/dbraw/zinc/53/42/13/1074534213.db2.gz FDQYHXISFJXRGK-SLFFLAALSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@H](c3cnn(C)c3)C2)C1 ZINC000544288209 1074534208 /nfs/dbraw/zinc/53/42/08/1074534208.db2.gz FDQYHXISFJXRGK-SLFFLAALSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2c2cnn(C)c2)C1 ZINC000544288209 1074534203 /nfs/dbraw/zinc/53/42/03/1074534203.db2.gz FDQYHXISFJXRGK-SLFFLAALSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2c2cnn(C)c2)C1 ZINC000544288209 1074534200 /nfs/dbraw/zinc/53/42/00/1074534200.db2.gz FDQYHXISFJXRGK-SLFFLAALSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H](c3cnn(C)c3)C2)C1 ZINC000544288210 1074534166 /nfs/dbraw/zinc/53/41/66/1074534166.db2.gz FDQYHXISFJXRGK-UFYCRDLUSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H](c3cnn(C)c3)C2)C1 ZINC000544288210 1074534161 /nfs/dbraw/zinc/53/41/61/1074534161.db2.gz FDQYHXISFJXRGK-UFYCRDLUSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2c2cnn(C)c2)C1 ZINC000544288210 1074534158 /nfs/dbraw/zinc/53/41/58/1074534158.db2.gz FDQYHXISFJXRGK-UFYCRDLUSA-N 2 2 448.568 -0.427 20 0 IBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2c2cnn(C)c2)C1 ZINC000544288210 1074534153 /nfs/dbraw/zinc/53/41/53/1074534153.db2.gz FDQYHXISFJXRGK-UFYCRDLUSA-N 2 2 448.568 -0.427 20 0 IBADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545882363 1074601111 /nfs/dbraw/zinc/60/11/11/1074601111.db2.gz PJNQFTCGHIHRIT-NRFANRHFSA-N 2 2 433.509 -0.796 20 0 IBADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545882363 1074601105 /nfs/dbraw/zinc/60/11/05/1074601105.db2.gz PJNQFTCGHIHRIT-NRFANRHFSA-N 2 2 433.509 -0.796 20 0 IBADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545882364 1074601085 /nfs/dbraw/zinc/60/10/85/1074601085.db2.gz PJNQFTCGHIHRIT-OAQYLSRUSA-N 2 2 433.509 -0.796 20 0 IBADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545882364 1074601077 /nfs/dbraw/zinc/60/10/77/1074601077.db2.gz PJNQFTCGHIHRIT-OAQYLSRUSA-N 2 2 433.509 -0.796 20 0 IBADLP CC[NH+](CC)CCOCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000546042602 1074609238 /nfs/dbraw/zinc/60/92/38/1074609238.db2.gz QWHBIXBRWBKXLW-UHFFFAOYSA-N 2 2 434.607 -0.836 20 0 IBADLP C[NH+](C)CC1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCC1 ZINC000546154769 1074614541 /nfs/dbraw/zinc/61/45/41/1074614541.db2.gz DWPHMQZMTCHNNG-UHFFFAOYSA-N 2 2 430.619 -0.072 20 0 IBADLP C[C@@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)N(CC(F)F)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000548057906 1070911339 /nfs/dbraw/zinc/91/13/39/1070911339.db2.gz DAGNMRPRYGQQNN-BZSNNMDCSA-N 2 2 446.587 -0.143 20 0 IBADLP C[C@H](C(=O)NC[C@H](C)N(CC(F)F)C(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000548057907 1070911142 /nfs/dbraw/zinc/91/11/42/1070911142.db2.gz DAGNMRPRYGQQNN-KSZLIROESA-N 2 2 446.587 -0.143 20 0 IBADLP C[C@H](C(=O)N(CC(F)F)[C@@H](C)CNC(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000548057908 1070911245 /nfs/dbraw/zinc/91/12/45/1070911245.db2.gz DAGNMRPRYGQQNN-OKZBNKHCSA-N 2 2 446.587 -0.143 20 0 IBADLP C[C@H](C(=O)NC[C@H](C)N(CC(F)F)C(=O)[C@@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000548057909 1070911307 /nfs/dbraw/zinc/91/13/07/1070911307.db2.gz DAGNMRPRYGQQNN-RCCFBDPRSA-N 2 2 446.587 -0.143 20 0 IBADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2C[N@H+]4CCN2CCC4)CC3)CC1 ZINC000549703583 1071529281 /nfs/dbraw/zinc/52/92/81/1071529281.db2.gz HFTHTHCGMRLGHT-FXAWDEMLSA-N 2 2 429.569 -0.661 20 0 IBADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2C[N@@H+]4CCN2CCC4)CC3)CC1 ZINC000549703583 1071529266 /nfs/dbraw/zinc/52/92/66/1071529266.db2.gz HFTHTHCGMRLGHT-FXAWDEMLSA-N 2 2 429.569 -0.661 20 0 IBADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2C[N@H+]4CCN2CCC4)CC3)CC1 ZINC000549703588 1071529471 /nfs/dbraw/zinc/52/94/71/1071529471.db2.gz HFTHTHCGMRLGHT-PXNSSMCTSA-N 2 2 429.569 -0.661 20 0 IBADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2C[N@@H+]4CCN2CCC4)CC3)CC1 ZINC000549703588 1071529463 /nfs/dbraw/zinc/52/94/63/1071529463.db2.gz HFTHTHCGMRLGHT-PXNSSMCTSA-N 2 2 429.569 -0.661 20 0 IBADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2C[N@H+]4CCN2CCC4)CC3)CC1 ZINC000549703589 1071529770 /nfs/dbraw/zinc/52/97/70/1071529770.db2.gz HFTHTHCGMRLGHT-XLIONFOSSA-N 2 2 429.569 -0.661 20 0 IBADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2C[N@@H+]4CCN2CCC4)CC3)CC1 ZINC000549703589 1071529761 /nfs/dbraw/zinc/52/97/61/1071529761.db2.gz HFTHTHCGMRLGHT-XLIONFOSSA-N 2 2 429.569 -0.661 20 0 IBADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2C[N@H+]4CCN2CCC4)CC3)CC1 ZINC000549703590 1071529405 /nfs/dbraw/zinc/52/94/05/1071529405.db2.gz HFTHTHCGMRLGHT-YLJYHZDGSA-N 2 2 429.569 -0.661 20 0 IBADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2C[N@@H+]4CCN2CCC4)CC3)CC1 ZINC000549703590 1071529392 /nfs/dbraw/zinc/52/93/92/1071529392.db2.gz HFTHTHCGMRLGHT-YLJYHZDGSA-N 2 2 429.569 -0.661 20 0 IBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000549728900 1071532402 /nfs/dbraw/zinc/53/24/02/1071532402.db2.gz GAMXRADQRJGODC-GOSISDBHSA-N 2 2 434.541 -0.275 20 0 IBADLP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000549992038 1071969986 /nfs/dbraw/zinc/96/99/86/1071969986.db2.gz ZENAJXUAYFJRSM-KRWDZBQOSA-N 2 2 431.541 -0.391 20 0 IBADLP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000549992038 1071969979 /nfs/dbraw/zinc/96/99/79/1071969979.db2.gz ZENAJXUAYFJRSM-KRWDZBQOSA-N 2 2 431.541 -0.391 20 0 IBADLP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000549992039 1071970047 /nfs/dbraw/zinc/97/00/47/1071970047.db2.gz ZENAJXUAYFJRSM-QGZVFWFLSA-N 2 2 431.541 -0.391 20 0 IBADLP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000549992039 1071970035 /nfs/dbraw/zinc/97/00/35/1071970035.db2.gz ZENAJXUAYFJRSM-QGZVFWFLSA-N 2 2 431.541 -0.391 20 0 IBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000550094993 1072150469 /nfs/dbraw/zinc/15/04/69/1072150469.db2.gz NIJDJGZOFDFTRX-IBGZPJMESA-N 2 2 437.585 -0.528 20 0 IBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000550094993 1072150468 /nfs/dbraw/zinc/15/04/68/1072150468.db2.gz NIJDJGZOFDFTRX-IBGZPJMESA-N 2 2 437.585 -0.528 20 0 IBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000550094995 1072150419 /nfs/dbraw/zinc/15/04/19/1072150419.db2.gz NIJDJGZOFDFTRX-LJQANCHMSA-N 2 2 437.585 -0.528 20 0 IBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000550094995 1072150416 /nfs/dbraw/zinc/15/04/16/1072150416.db2.gz NIJDJGZOFDFTRX-LJQANCHMSA-N 2 2 437.585 -0.528 20 0 IBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000550109526 1072153794 /nfs/dbraw/zinc/15/37/94/1072153794.db2.gz RGSZGNKUHNTTGZ-UHFFFAOYSA-N 2 2 445.564 -0.196 20 0 IBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000550151798 1072157128 /nfs/dbraw/zinc/15/71/28/1072157128.db2.gz ZHEKPNHUUVGPRC-UHFFFAOYSA-N 2 2 445.564 -0.196 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000550277536 1072171666 /nfs/dbraw/zinc/17/16/66/1072171666.db2.gz AAJVMYHMEHFRHG-MSOLQXFVSA-N 2 2 425.574 -0.482 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000550277536 1072171662 /nfs/dbraw/zinc/17/16/62/1072171662.db2.gz AAJVMYHMEHFRHG-MSOLQXFVSA-N 2 2 425.574 -0.482 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000550277537 1072171599 /nfs/dbraw/zinc/17/15/99/1072171599.db2.gz AAJVMYHMEHFRHG-QZTJIDSGSA-N 2 2 425.574 -0.482 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000550277537 1072171593 /nfs/dbraw/zinc/17/15/93/1072171593.db2.gz AAJVMYHMEHFRHG-QZTJIDSGSA-N 2 2 425.574 -0.482 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000550277538 1072171645 /nfs/dbraw/zinc/17/16/45/1072171645.db2.gz AAJVMYHMEHFRHG-ROUUACIJSA-N 2 2 425.574 -0.482 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000550277538 1072171641 /nfs/dbraw/zinc/17/16/41/1072171641.db2.gz AAJVMYHMEHFRHG-ROUUACIJSA-N 2 2 425.574 -0.482 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000550277539 1072171511 /nfs/dbraw/zinc/17/15/11/1072171511.db2.gz AAJVMYHMEHFRHG-ZWKOTPCHSA-N 2 2 425.574 -0.482 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000550277539 1072171506 /nfs/dbraw/zinc/17/15/06/1072171506.db2.gz AAJVMYHMEHFRHG-ZWKOTPCHSA-N 2 2 425.574 -0.482 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC[N@H+]1CC(C)(C)O ZINC000550294762 1072224791 /nfs/dbraw/zinc/22/47/91/1072224791.db2.gz MJJSNINHLSZSQP-KRWDZBQOSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC[N@@H+]1CC(C)(C)O ZINC000550294762 1072224785 /nfs/dbraw/zinc/22/47/85/1072224785.db2.gz MJJSNINHLSZSQP-KRWDZBQOSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC[N@H+]1CC(C)(C)O ZINC000550294763 1072225294 /nfs/dbraw/zinc/22/52/94/1072225294.db2.gz MJJSNINHLSZSQP-QGZVFWFLSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC[N@@H+]1CC(C)(C)O ZINC000550294763 1072225284 /nfs/dbraw/zinc/22/52/84/1072225284.db2.gz MJJSNINHLSZSQP-QGZVFWFLSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550295034 1072224816 /nfs/dbraw/zinc/22/48/16/1072224816.db2.gz QNWKFBHHWWTWPE-KRWDZBQOSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550295034 1072224814 /nfs/dbraw/zinc/22/48/14/1072224814.db2.gz QNWKFBHHWWTWPE-KRWDZBQOSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550295035 1072224723 /nfs/dbraw/zinc/22/47/23/1072224723.db2.gz QNWKFBHHWWTWPE-QGZVFWFLSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550295035 1072224716 /nfs/dbraw/zinc/22/47/16/1072224716.db2.gz QNWKFBHHWWTWPE-QGZVFWFLSA-N 2 2 432.569 -0.247 20 0 IBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000550295400 1072225212 /nfs/dbraw/zinc/22/52/12/1072225212.db2.gz ZLKMSHUCACEROO-IBGZPJMESA-N 2 2 445.612 -0.161 20 0 IBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000550295400 1072225201 /nfs/dbraw/zinc/22/52/01/1072225201.db2.gz ZLKMSHUCACEROO-IBGZPJMESA-N 2 2 445.612 -0.161 20 0 IBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000550295401 1072225108 /nfs/dbraw/zinc/22/51/08/1072225108.db2.gz ZLKMSHUCACEROO-LJQANCHMSA-N 2 2 445.612 -0.161 20 0 IBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000550295401 1072225101 /nfs/dbraw/zinc/22/51/01/1072225101.db2.gz ZLKMSHUCACEROO-LJQANCHMSA-N 2 2 445.612 -0.161 20 0 IBADLP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000550311777 1072234540 /nfs/dbraw/zinc/23/45/40/1072234540.db2.gz IBKJBGQJWIOCEW-KRWDZBQOSA-N 2 2 433.557 -0.144 20 0 IBADLP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000550311777 1072234534 /nfs/dbraw/zinc/23/45/34/1072234534.db2.gz IBKJBGQJWIOCEW-KRWDZBQOSA-N 2 2 433.557 -0.144 20 0 IBADLP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000550311778 1072234488 /nfs/dbraw/zinc/23/44/88/1072234488.db2.gz IBKJBGQJWIOCEW-QGZVFWFLSA-N 2 2 433.557 -0.144 20 0 IBADLP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000550311778 1072234483 /nfs/dbraw/zinc/23/44/83/1072234483.db2.gz IBKJBGQJWIOCEW-QGZVFWFLSA-N 2 2 433.557 -0.144 20 0 IBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000550372703 1072280346 /nfs/dbraw/zinc/28/03/46/1072280346.db2.gz LWCNJMSUOATUGA-UHFFFAOYSA-N 2 2 440.552 -0.003 20 0 IBADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)n1C ZINC000550373648 1072282479 /nfs/dbraw/zinc/28/24/79/1072282479.db2.gz BSRGDZWZYCNXCY-UHFFFAOYSA-N 2 2 429.529 -0.779 20 0 IBADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000550375849 1072281141 /nfs/dbraw/zinc/28/11/41/1072281141.db2.gz VUKZQUVOVOZTCP-UHFFFAOYSA-N 2 2 433.557 -0.980 20 0 IBADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCCC1 ZINC000550377932 1072281691 /nfs/dbraw/zinc/28/16/91/1072281691.db2.gz MBJVXCFILXXUOC-UHFFFAOYSA-N 2 2 445.568 -0.048 20 0 IBADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCCC1 ZINC000550377932 1072281685 /nfs/dbraw/zinc/28/16/85/1072281685.db2.gz MBJVXCFILXXUOC-UHFFFAOYSA-N 2 2 445.568 -0.048 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000550380986 1072282186 /nfs/dbraw/zinc/28/21/86/1072282186.db2.gz DLTZHTZAORQNNE-MOPGFXCFSA-N 2 2 438.617 -0.567 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000550380986 1072282180 /nfs/dbraw/zinc/28/21/80/1072282180.db2.gz DLTZHTZAORQNNE-MOPGFXCFSA-N 2 2 438.617 -0.567 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000550380987 1072282236 /nfs/dbraw/zinc/28/22/36/1072282236.db2.gz DLTZHTZAORQNNE-OALUTQOASA-N 2 2 438.617 -0.567 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000550380987 1072282228 /nfs/dbraw/zinc/28/22/28/1072282228.db2.gz DLTZHTZAORQNNE-OALUTQOASA-N 2 2 438.617 -0.567 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000550380988 1072282086 /nfs/dbraw/zinc/28/20/86/1072282086.db2.gz DLTZHTZAORQNNE-RBUKOAKNSA-N 2 2 438.617 -0.567 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000550380988 1072282074 /nfs/dbraw/zinc/28/20/74/1072282074.db2.gz DLTZHTZAORQNNE-RBUKOAKNSA-N 2 2 438.617 -0.567 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000550380989 1072282411 /nfs/dbraw/zinc/28/24/11/1072282411.db2.gz DLTZHTZAORQNNE-RTBURBONSA-N 2 2 438.617 -0.567 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000550380989 1072282402 /nfs/dbraw/zinc/28/24/02/1072282402.db2.gz DLTZHTZAORQNNE-RTBURBONSA-N 2 2 438.617 -0.567 20 0 IBADLP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000550410066 1072289494 /nfs/dbraw/zinc/28/94/94/1072289494.db2.gz KPZPIQXPBZFBMU-GOSISDBHSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000550410066 1072289488 /nfs/dbraw/zinc/28/94/88/1072289488.db2.gz KPZPIQXPBZFBMU-GOSISDBHSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000550410067 1072289552 /nfs/dbraw/zinc/28/95/52/1072289552.db2.gz KPZPIQXPBZFBMU-SFHVURJKSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000550410067 1072289542 /nfs/dbraw/zinc/28/95/42/1072289542.db2.gz KPZPIQXPBZFBMU-SFHVURJKSA-N 2 2 445.568 -0.001 20 0 IBADLP CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000550466310 1072480897 /nfs/dbraw/zinc/48/08/97/1072480897.db2.gz FWPPMGLOTVSRSI-UHFFFAOYSA-N 2 2 445.630 -0.209 20 0 IBADLP CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000550466310 1072480890 /nfs/dbraw/zinc/48/08/90/1072480890.db2.gz FWPPMGLOTVSRSI-UHFFFAOYSA-N 2 2 445.630 -0.209 20 0 IBADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000550467329 1072490674 /nfs/dbraw/zinc/49/06/74/1072490674.db2.gz VRIQOHFEOQYBBT-HNNXBMFYSA-N 2 2 439.582 -0.004 20 0 IBADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000550467329 1072490671 /nfs/dbraw/zinc/49/06/71/1072490671.db2.gz VRIQOHFEOQYBBT-HNNXBMFYSA-N 2 2 439.582 -0.004 20 0 IBADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000550467330 1072490461 /nfs/dbraw/zinc/49/04/61/1072490461.db2.gz VRIQOHFEOQYBBT-OAHLLOKOSA-N 2 2 439.582 -0.004 20 0 IBADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000550467330 1072490455 /nfs/dbraw/zinc/49/04/55/1072490455.db2.gz VRIQOHFEOQYBBT-OAHLLOKOSA-N 2 2 439.582 -0.004 20 0 IBADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)ccn2)CC1 ZINC000550515482 1072517430 /nfs/dbraw/zinc/51/74/30/1072517430.db2.gz MERBFJYWHOTFAC-UHFFFAOYSA-N 2 2 430.553 -0.227 20 0 IBADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000550555141 1072523663 /nfs/dbraw/zinc/52/36/63/1072523663.db2.gz ZPUZCIGNAPWWSH-UHFFFAOYSA-N 2 2 431.585 -0.408 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000550643739 1073009343 /nfs/dbraw/zinc/00/93/43/1073009343.db2.gz WHARGNADZLNNJV-UHFFFAOYSA-N 2 2 430.553 -0.215 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000550662235 1073011836 /nfs/dbraw/zinc/01/18/36/1073011836.db2.gz CFLWAIWLMNYUPO-IBGZPJMESA-N 2 2 432.569 -0.077 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000550662236 1073011937 /nfs/dbraw/zinc/01/19/37/1073011937.db2.gz CFLWAIWLMNYUPO-LJQANCHMSA-N 2 2 432.569 -0.077 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[NH+]1CCOCC1 ZINC000550664637 1073011994 /nfs/dbraw/zinc/01/19/94/1073011994.db2.gz WHXVMRZFDVHPNG-IBGZPJMESA-N 2 2 447.584 -0.422 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[NH+]1CCOCC1 ZINC000550664638 1073012027 /nfs/dbraw/zinc/01/20/27/1073012027.db2.gz WHXVMRZFDVHPNG-LJQANCHMSA-N 2 2 447.584 -0.422 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000550668541 1073013798 /nfs/dbraw/zinc/01/37/98/1073013798.db2.gz PXSCYLKFZVTJLH-GOSISDBHSA-N 2 2 425.574 -0.482 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000550668542 1073014059 /nfs/dbraw/zinc/01/40/59/1073014059.db2.gz PXSCYLKFZVTJLH-SFHVURJKSA-N 2 2 425.574 -0.482 20 0 IBADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)cn2)CC1 ZINC000550684772 1073015354 /nfs/dbraw/zinc/01/53/54/1073015354.db2.gz CGYPAXLDUXGPGF-UHFFFAOYSA-N 2 2 430.553 -0.227 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000550685649 1073015545 /nfs/dbraw/zinc/01/55/45/1073015545.db2.gz SEQHZCUPQGQPBZ-UHFFFAOYSA-N 2 2 445.568 -0.928 20 0 IBADLP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000550716263 1073018640 /nfs/dbraw/zinc/01/86/40/1073018640.db2.gz YYLUQFWWPMZBHI-UHFFFAOYSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000550716263 1073018630 /nfs/dbraw/zinc/01/86/30/1073018630.db2.gz YYLUQFWWPMZBHI-UHFFFAOYSA-N 2 2 443.552 -0.295 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550755522 1073022038 /nfs/dbraw/zinc/02/20/38/1073022038.db2.gz AHMQTBHYIXZRMG-IBGZPJMESA-N 2 2 439.601 -0.138 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550755527 1073022074 /nfs/dbraw/zinc/02/20/74/1073022074.db2.gz AHMQTBHYIXZRMG-LJQANCHMSA-N 2 2 439.601 -0.138 20 0 IBADLP CC(C)C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000550757140 1073022636 /nfs/dbraw/zinc/02/26/36/1073022636.db2.gz NGLALCXEJBPOQK-IBGZPJMESA-N 2 2 439.601 -0.092 20 0 IBADLP CC(C)C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000550757141 1073022604 /nfs/dbraw/zinc/02/26/04/1073022604.db2.gz NGLALCXEJBPOQK-LJQANCHMSA-N 2 2 439.601 -0.092 20 0 IBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000550768054 1073023989 /nfs/dbraw/zinc/02/39/89/1073023989.db2.gz DBBKLSUKMRKTML-GOSISDBHSA-N 2 2 426.525 -0.007 20 0 IBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000550768056 1073023967 /nfs/dbraw/zinc/02/39/67/1073023967.db2.gz DBBKLSUKMRKTML-SFHVURJKSA-N 2 2 426.525 -0.007 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCN(C)CC1 ZINC000550778732 1073025753 /nfs/dbraw/zinc/02/57/53/1073025753.db2.gz LOVGTGVJXXVRKK-NRFANRHFSA-N 2 2 436.645 -0.139 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCN(C)CC1 ZINC000550778733 1073025793 /nfs/dbraw/zinc/02/57/93/1073025793.db2.gz LOVGTGVJXXVRKK-OAQYLSRUSA-N 2 2 436.645 -0.139 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000550779097 1073026890 /nfs/dbraw/zinc/02/68/90/1073026890.db2.gz NWAUOCKQANOYHW-IBGZPJMESA-N 2 2 436.601 -0.859 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000550779098 1073026677 /nfs/dbraw/zinc/02/66/77/1073026677.db2.gz NWAUOCKQANOYHW-LJQANCHMSA-N 2 2 436.601 -0.859 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550779579 1073026384 /nfs/dbraw/zinc/02/63/84/1073026384.db2.gz VBLFCARFEXBQPK-ACRUOGEOSA-N 2 2 436.645 -0.141 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550779580 1073026313 /nfs/dbraw/zinc/02/63/13/1073026313.db2.gz VBLFCARFEXBQPK-HBMCJLEFSA-N 2 2 436.645 -0.141 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550779581 1073026336 /nfs/dbraw/zinc/02/63/36/1073026336.db2.gz VBLFCARFEXBQPK-HKBOAZHASA-N 2 2 436.645 -0.141 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550779582 1073026109 /nfs/dbraw/zinc/02/61/09/1073026109.db2.gz VBLFCARFEXBQPK-NJYVYQBISA-N 2 2 436.645 -0.141 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)NCCCC[NH+]3CCOCC3)cc2)CC1 ZINC000550783835 1073027820 /nfs/dbraw/zinc/02/78/20/1073027820.db2.gz AESYCLFWZXQOFA-UHFFFAOYSA-N 2 2 445.564 -0.081 20 0 IBADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)CC1 ZINC000550783937 1073027908 /nfs/dbraw/zinc/02/79/08/1073027908.db2.gz MZVPSNVGGLLJCR-UHFFFAOYSA-N 2 2 437.585 -0.382 20 0 IBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000550791590 1073028794 /nfs/dbraw/zinc/02/87/94/1073028794.db2.gz TXFMVMQJWUOTLS-UHFFFAOYSA-N 2 2 445.612 -0.017 20 0 IBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000550791590 1073028783 /nfs/dbraw/zinc/02/87/83/1073028783.db2.gz TXFMVMQJWUOTLS-UHFFFAOYSA-N 2 2 445.612 -0.017 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000550807950 1073031671 /nfs/dbraw/zinc/03/16/71/1073031671.db2.gz GYVAPHRTKSZDCO-UHFFFAOYSA-N 2 2 430.553 -0.749 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000550808174 1073031614 /nfs/dbraw/zinc/03/16/14/1073031614.db2.gz MQIOIKVRFMZTTD-QGZVFWFLSA-N 2 2 437.585 -0.195 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000550808174 1073031605 /nfs/dbraw/zinc/03/16/05/1073031605.db2.gz MQIOIKVRFMZTTD-QGZVFWFLSA-N 2 2 437.585 -0.195 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000550813645 1073032449 /nfs/dbraw/zinc/03/24/49/1073032449.db2.gz XJDIQDKMLJLXMO-UHFFFAOYSA-N 2 2 437.585 -0.288 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000550813689 1073032224 /nfs/dbraw/zinc/03/22/24/1073032224.db2.gz YVZLYVFMELZWSF-UHFFFAOYSA-N 2 2 439.601 -0.090 20 0 IBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000550888578 1073038683 /nfs/dbraw/zinc/03/86/83/1073038683.db2.gz HHKNPQHITNRSQS-FQEVSTJZSA-N 2 2 445.564 -0.083 20 0 IBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000550888578 1073038675 /nfs/dbraw/zinc/03/86/75/1073038675.db2.gz HHKNPQHITNRSQS-FQEVSTJZSA-N 2 2 445.564 -0.083 20 0 IBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000550888579 1073038621 /nfs/dbraw/zinc/03/86/21/1073038621.db2.gz HHKNPQHITNRSQS-HXUWFJFHSA-N 2 2 445.564 -0.083 20 0 IBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000550888579 1073038612 /nfs/dbraw/zinc/03/86/12/1073038612.db2.gz HHKNPQHITNRSQS-HXUWFJFHSA-N 2 2 445.564 -0.083 20 0 IBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000550893642 1073040013 /nfs/dbraw/zinc/04/00/13/1073040013.db2.gz QSVSYPNQDMFOKG-UHFFFAOYSA-N 3 2 446.596 -0.358 20 0 IBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000550917457 1073043059 /nfs/dbraw/zinc/04/30/59/1073043059.db2.gz ORCSMJYFWNCRRJ-UHFFFAOYSA-N 2 2 428.537 -0.067 20 0 IBADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000550944647 1073045870 /nfs/dbraw/zinc/04/58/70/1073045870.db2.gz JMRIQEBZMFXICO-UHFFFAOYSA-N 2 2 431.585 -0.408 20 0 IBADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000550955304 1073047104 /nfs/dbraw/zinc/04/71/04/1073047104.db2.gz VLCNHVJARRQFOZ-UHFFFAOYSA-N 2 2 449.556 -0.954 20 0 IBADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000550955304 1073047098 /nfs/dbraw/zinc/04/70/98/1073047098.db2.gz VLCNHVJARRQFOZ-UHFFFAOYSA-N 2 2 449.556 -0.954 20 0 IBADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000550955304 1073047091 /nfs/dbraw/zinc/04/70/91/1073047091.db2.gz VLCNHVJARRQFOZ-UHFFFAOYSA-N 2 2 449.556 -0.954 20 0 IBADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000550955304 1073047082 /nfs/dbraw/zinc/04/70/82/1073047082.db2.gz VLCNHVJARRQFOZ-UHFFFAOYSA-N 2 2 449.556 -0.954 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000551059527 1073057859 /nfs/dbraw/zinc/05/78/59/1073057859.db2.gz JVSNSIFDFODAAC-LEWJYISDSA-N 2 2 447.580 -0.757 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000551059528 1073057671 /nfs/dbraw/zinc/05/76/71/1073057671.db2.gz JVSNSIFDFODAAC-NHCUHLMSSA-N 2 2 447.580 -0.757 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000551059529 1073057827 /nfs/dbraw/zinc/05/78/27/1073057827.db2.gz JVSNSIFDFODAAC-RTWAWAEBSA-N 2 2 447.580 -0.757 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000551059530 1073057721 /nfs/dbraw/zinc/05/77/21/1073057721.db2.gz JVSNSIFDFODAAC-SFTDATJTSA-N 2 2 447.580 -0.757 20 0 IBADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000551061951 1073058387 /nfs/dbraw/zinc/05/83/87/1073058387.db2.gz FJIMRVALJGOXKQ-GOSISDBHSA-N 2 2 445.564 -0.196 20 0 IBADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000551061951 1073058380 /nfs/dbraw/zinc/05/83/80/1073058380.db2.gz FJIMRVALJGOXKQ-GOSISDBHSA-N 2 2 445.564 -0.196 20 0 IBADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000551061952 1073058452 /nfs/dbraw/zinc/05/84/52/1073058452.db2.gz FJIMRVALJGOXKQ-SFHVURJKSA-N 2 2 445.564 -0.196 20 0 IBADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000551061952 1073058440 /nfs/dbraw/zinc/05/84/40/1073058440.db2.gz FJIMRVALJGOXKQ-SFHVURJKSA-N 2 2 445.564 -0.196 20 0 IBADLP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)oc1C ZINC000551063227 1073059156 /nfs/dbraw/zinc/05/91/56/1073059156.db2.gz VLXWDSJDXDQXNM-UHFFFAOYSA-N 2 2 448.568 -0.100 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000551093809 1073062632 /nfs/dbraw/zinc/06/26/32/1073062632.db2.gz RTADKRYORIKEEP-NRFANRHFSA-N 2 2 447.580 -0.534 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000551093816 1073062410 /nfs/dbraw/zinc/06/24/10/1073062410.db2.gz RTADKRYORIKEEP-OAQYLSRUSA-N 2 2 447.580 -0.534 20 0 IBADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551142772 1073067161 /nfs/dbraw/zinc/06/71/61/1073067161.db2.gz KDWYATRSGHJMFA-MSOLQXFVSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551142772 1073067149 /nfs/dbraw/zinc/06/71/49/1073067149.db2.gz KDWYATRSGHJMFA-MSOLQXFVSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551142772 1073067138 /nfs/dbraw/zinc/06/71/38/1073067138.db2.gz KDWYATRSGHJMFA-MSOLQXFVSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551142772 1073067126 /nfs/dbraw/zinc/06/71/26/1073067126.db2.gz KDWYATRSGHJMFA-MSOLQXFVSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551142773 1073067443 /nfs/dbraw/zinc/06/74/43/1073067443.db2.gz KDWYATRSGHJMFA-QZTJIDSGSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551142773 1073067433 /nfs/dbraw/zinc/06/74/33/1073067433.db2.gz KDWYATRSGHJMFA-QZTJIDSGSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551142773 1073067423 /nfs/dbraw/zinc/06/74/23/1073067423.db2.gz KDWYATRSGHJMFA-QZTJIDSGSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551142773 1073067417 /nfs/dbraw/zinc/06/74/17/1073067417.db2.gz KDWYATRSGHJMFA-QZTJIDSGSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551142774 1073067298 /nfs/dbraw/zinc/06/72/98/1073067298.db2.gz KDWYATRSGHJMFA-ROUUACIJSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551142774 1073067286 /nfs/dbraw/zinc/06/72/86/1073067286.db2.gz KDWYATRSGHJMFA-ROUUACIJSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551142774 1073067272 /nfs/dbraw/zinc/06/72/72/1073067272.db2.gz KDWYATRSGHJMFA-ROUUACIJSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551142774 1073067264 /nfs/dbraw/zinc/06/72/64/1073067264.db2.gz KDWYATRSGHJMFA-ROUUACIJSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551142775 1073067393 /nfs/dbraw/zinc/06/73/93/1073067393.db2.gz KDWYATRSGHJMFA-ZWKOTPCHSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551142775 1073067384 /nfs/dbraw/zinc/06/73/84/1073067384.db2.gz KDWYATRSGHJMFA-ZWKOTPCHSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551142775 1073067380 /nfs/dbraw/zinc/06/73/80/1073067380.db2.gz KDWYATRSGHJMFA-ZWKOTPCHSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551142775 1073067370 /nfs/dbraw/zinc/06/73/70/1073067370.db2.gz KDWYATRSGHJMFA-ZWKOTPCHSA-N 2 2 443.552 -0.295 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000551187197 1073069866 /nfs/dbraw/zinc/06/98/66/1073069866.db2.gz DOXYWTTXAJHCFU-IBGZPJMESA-N 2 2 431.537 -0.670 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000551187197 1073069857 /nfs/dbraw/zinc/06/98/57/1073069857.db2.gz DOXYWTTXAJHCFU-IBGZPJMESA-N 2 2 431.537 -0.670 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000551187198 1073069977 /nfs/dbraw/zinc/06/99/77/1073069977.db2.gz DOXYWTTXAJHCFU-LJQANCHMSA-N 2 2 431.537 -0.670 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000551187198 1073069970 /nfs/dbraw/zinc/06/99/70/1073069970.db2.gz DOXYWTTXAJHCFU-LJQANCHMSA-N 2 2 431.537 -0.670 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000551187848 1073069360 /nfs/dbraw/zinc/06/93/60/1073069360.db2.gz UJQHPOWJWCXENK-UHFFFAOYSA-N 3 2 445.568 -0.964 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000551187906 1073069452 /nfs/dbraw/zinc/06/94/52/1073069452.db2.gz OVJQIWXXEXUKHJ-UHFFFAOYSA-N 2 2 437.585 -0.336 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000551188222 1073070067 /nfs/dbraw/zinc/07/00/67/1073070067.db2.gz ZDNROMWILVZDMP-FXAWDEMLSA-N 2 2 445.564 -0.281 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000551188222 1073070064 /nfs/dbraw/zinc/07/00/64/1073070064.db2.gz ZDNROMWILVZDMP-FXAWDEMLSA-N 2 2 445.564 -0.281 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000551188227 1073069951 /nfs/dbraw/zinc/06/99/51/1073069951.db2.gz ZDNROMWILVZDMP-PXNSSMCTSA-N 2 2 445.564 -0.281 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000551188227 1073069946 /nfs/dbraw/zinc/06/99/46/1073069946.db2.gz ZDNROMWILVZDMP-PXNSSMCTSA-N 2 2 445.564 -0.281 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000551188273 1073069899 /nfs/dbraw/zinc/06/98/99/1073069899.db2.gz ZDNROMWILVZDMP-XLIONFOSSA-N 2 2 445.564 -0.281 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000551188273 1073069891 /nfs/dbraw/zinc/06/98/91/1073069891.db2.gz ZDNROMWILVZDMP-XLIONFOSSA-N 2 2 445.564 -0.281 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000551188274 1073070103 /nfs/dbraw/zinc/07/01/03/1073070103.db2.gz ZDNROMWILVZDMP-YLJYHZDGSA-N 2 2 445.564 -0.281 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000551188274 1073070096 /nfs/dbraw/zinc/07/00/96/1073070096.db2.gz ZDNROMWILVZDMP-YLJYHZDGSA-N 2 2 445.564 -0.281 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000551191070 1073070730 /nfs/dbraw/zinc/07/07/30/1073070730.db2.gz SRWCAKOPAQGXPT-INIZCTEOSA-N 2 2 425.574 -0.603 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000551191070 1073070722 /nfs/dbraw/zinc/07/07/22/1073070722.db2.gz SRWCAKOPAQGXPT-INIZCTEOSA-N 2 2 425.574 -0.603 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000551191071 1073070486 /nfs/dbraw/zinc/07/04/86/1073070486.db2.gz SRWCAKOPAQGXPT-MRXNPFEDSA-N 2 2 425.574 -0.603 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000551191071 1073070474 /nfs/dbraw/zinc/07/04/74/1073070474.db2.gz SRWCAKOPAQGXPT-MRXNPFEDSA-N 2 2 425.574 -0.603 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000551191921 1073070560 /nfs/dbraw/zinc/07/05/60/1073070560.db2.gz NATRCVAXQQEWQO-UHFFFAOYSA-N 2 2 431.537 -0.538 20 0 IBADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551281803 1073078832 /nfs/dbraw/zinc/07/88/32/1073078832.db2.gz INPHHYPUVYJOLM-KRWDZBQOSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551281803 1073078826 /nfs/dbraw/zinc/07/88/26/1073078826.db2.gz INPHHYPUVYJOLM-KRWDZBQOSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551281803 1073078823 /nfs/dbraw/zinc/07/88/23/1073078823.db2.gz INPHHYPUVYJOLM-KRWDZBQOSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551281803 1073078820 /nfs/dbraw/zinc/07/88/20/1073078820.db2.gz INPHHYPUVYJOLM-KRWDZBQOSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551281804 1073078512 /nfs/dbraw/zinc/07/85/12/1073078512.db2.gz INPHHYPUVYJOLM-QGZVFWFLSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551281804 1073078506 /nfs/dbraw/zinc/07/85/06/1073078506.db2.gz INPHHYPUVYJOLM-QGZVFWFLSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551281804 1073078498 /nfs/dbraw/zinc/07/84/98/1073078498.db2.gz INPHHYPUVYJOLM-QGZVFWFLSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551281804 1073078495 /nfs/dbraw/zinc/07/84/95/1073078495.db2.gz INPHHYPUVYJOLM-QGZVFWFLSA-N 2 2 443.552 -0.438 20 0 IBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000551479805 1073088299 /nfs/dbraw/zinc/08/82/99/1073088299.db2.gz BKQYDZVNLAILGR-IBGZPJMESA-N 2 2 445.612 -0.161 20 0 IBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000551479805 1073088281 /nfs/dbraw/zinc/08/82/81/1073088281.db2.gz BKQYDZVNLAILGR-IBGZPJMESA-N 2 2 445.612 -0.161 20 0 IBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000551479806 1073088526 /nfs/dbraw/zinc/08/85/26/1073088526.db2.gz BKQYDZVNLAILGR-LJQANCHMSA-N 2 2 445.612 -0.161 20 0 IBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000551479806 1073088512 /nfs/dbraw/zinc/08/85/12/1073088512.db2.gz BKQYDZVNLAILGR-LJQANCHMSA-N 2 2 445.612 -0.161 20 0 IBADLP C[C@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C[NH+]1CCCC1 ZINC000551480627 1073089015 /nfs/dbraw/zinc/08/90/15/1073089015.db2.gz UXVDAUBVPGZNQB-GOSISDBHSA-N 2 2 445.568 -0.190 20 0 IBADLP C[C@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000551480627 1073089008 /nfs/dbraw/zinc/08/90/08/1073089008.db2.gz UXVDAUBVPGZNQB-GOSISDBHSA-N 2 2 445.568 -0.190 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C[NH+]1CCCC1 ZINC000551480628 1073089146 /nfs/dbraw/zinc/08/91/46/1073089146.db2.gz UXVDAUBVPGZNQB-SFHVURJKSA-N 2 2 445.568 -0.190 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000551480628 1073089136 /nfs/dbraw/zinc/08/91/36/1073089136.db2.gz UXVDAUBVPGZNQB-SFHVURJKSA-N 2 2 445.568 -0.190 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)CC1 ZINC000551600749 1073096142 /nfs/dbraw/zinc/09/61/42/1073096142.db2.gz AHJYKKAYCXZHOO-UHFFFAOYSA-N 2 2 447.584 -0.438 20 0 IBADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000552316252 1073200736 /nfs/dbraw/zinc/20/07/36/1073200736.db2.gz INDFZKVDTZKYIX-UHFFFAOYSA-N 2 2 430.553 -0.227 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)C[C@@H](C)O1 ZINC000552575176 1073213407 /nfs/dbraw/zinc/21/34/07/1073213407.db2.gz QSMFTQBTNUBFJA-LMMKCTJWSA-N 2 2 426.558 -0.450 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)C[C@@H](C)O1 ZINC000552575176 1073213402 /nfs/dbraw/zinc/21/34/02/1073213402.db2.gz QSMFTQBTNUBFJA-LMMKCTJWSA-N 2 2 426.558 -0.450 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)C[C@H](C)O1 ZINC000552575177 1073213478 /nfs/dbraw/zinc/21/34/78/1073213478.db2.gz QSMFTQBTNUBFJA-SCTDSRPQSA-N 2 2 426.558 -0.450 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)C[C@H](C)O1 ZINC000552575177 1073213474 /nfs/dbraw/zinc/21/34/74/1073213474.db2.gz QSMFTQBTNUBFJA-SCTDSRPQSA-N 2 2 426.558 -0.450 20 0 IBADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)NC[C@H]3C[NH+](C)CCO3)CC2)C[C@H](C)O1 ZINC000552575177 1073213469 /nfs/dbraw/zinc/21/34/69/1073213469.db2.gz QSMFTQBTNUBFJA-SCTDSRPQSA-N 2 2 426.558 -0.450 20 0 IBADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)NC[C@H]3C[NH+](C)CCO3)CC2)C[C@H](C)O1 ZINC000552575177 1073213466 /nfs/dbraw/zinc/21/34/66/1073213466.db2.gz QSMFTQBTNUBFJA-SCTDSRPQSA-N 2 2 426.558 -0.450 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)C[C@@H](C)O1 ZINC000552575178 1073213518 /nfs/dbraw/zinc/21/35/18/1073213518.db2.gz QSMFTQBTNUBFJA-ZHALLVOQSA-N 2 2 426.558 -0.450 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)C[C@@H](C)O1 ZINC000552575178 1073213516 /nfs/dbraw/zinc/21/35/16/1073213516.db2.gz QSMFTQBTNUBFJA-ZHALLVOQSA-N 2 2 426.558 -0.450 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)C[C@H](C)O1 ZINC000552575179 1073213536 /nfs/dbraw/zinc/21/35/36/1073213536.db2.gz QSMFTQBTNUBFJA-ZIFCJYIRSA-N 2 2 426.558 -0.450 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)C[C@H](C)O1 ZINC000552575179 1073213534 /nfs/dbraw/zinc/21/35/34/1073213534.db2.gz QSMFTQBTNUBFJA-ZIFCJYIRSA-N 2 2 426.558 -0.450 20 0 IBADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[NH+](C)CCO3)CC2)C[C@H](C)O1 ZINC000552575179 1073213532 /nfs/dbraw/zinc/21/35/32/1073213532.db2.gz QSMFTQBTNUBFJA-ZIFCJYIRSA-N 2 2 426.558 -0.450 20 0 IBADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[NH+](C)CCO3)CC2)C[C@H](C)O1 ZINC000552575179 1073213527 /nfs/dbraw/zinc/21/35/27/1073213527.db2.gz QSMFTQBTNUBFJA-ZIFCJYIRSA-N 2 2 426.558 -0.450 20 0 IBADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000552591511 1073215481 /nfs/dbraw/zinc/21/54/81/1073215481.db2.gz CFOURRBRUHYHKJ-DLBZAZTESA-N 2 2 428.537 -0.022 20 0 IBADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000552591511 1073215475 /nfs/dbraw/zinc/21/54/75/1073215475.db2.gz CFOURRBRUHYHKJ-DLBZAZTESA-N 2 2 428.537 -0.022 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000552591512 1073215557 /nfs/dbraw/zinc/21/55/57/1073215557.db2.gz CFOURRBRUHYHKJ-IAGOWNOFSA-N 2 2 428.537 -0.022 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000552591512 1073215546 /nfs/dbraw/zinc/21/55/46/1073215546.db2.gz CFOURRBRUHYHKJ-IAGOWNOFSA-N 2 2 428.537 -0.022 20 0 IBADLP C[C@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000552591513 1073215912 /nfs/dbraw/zinc/21/59/12/1073215912.db2.gz CFOURRBRUHYHKJ-IRXDYDNUSA-N 2 2 428.537 -0.022 20 0 IBADLP C[C@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000552591513 1073215904 /nfs/dbraw/zinc/21/59/04/1073215904.db2.gz CFOURRBRUHYHKJ-IRXDYDNUSA-N 2 2 428.537 -0.022 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000552591514 1073215974 /nfs/dbraw/zinc/21/59/74/1073215974.db2.gz CFOURRBRUHYHKJ-SJORKVTESA-N 2 2 428.537 -0.022 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000552591514 1073215967 /nfs/dbraw/zinc/21/59/67/1073215967.db2.gz CFOURRBRUHYHKJ-SJORKVTESA-N 2 2 428.537 -0.022 20 0 IBADLP C[NH+]1CCC(CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000552633403 1073218186 /nfs/dbraw/zinc/21/81/86/1073218186.db2.gz WTHXBIIVSXWQFP-UHFFFAOYSA-N 2 2 445.568 -0.190 20 0 IBADLP C[NH+]1CCC(CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000552633403 1073218180 /nfs/dbraw/zinc/21/81/80/1073218180.db2.gz WTHXBIIVSXWQFP-UHFFFAOYSA-N 2 2 445.568 -0.190 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000552663446 1073220363 /nfs/dbraw/zinc/22/03/63/1073220363.db2.gz BETCPHBAOKFDCH-KRWDZBQOSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000552663446 1073220353 /nfs/dbraw/zinc/22/03/53/1073220353.db2.gz BETCPHBAOKFDCH-KRWDZBQOSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000552663447 1073220411 /nfs/dbraw/zinc/22/04/11/1073220411.db2.gz BETCPHBAOKFDCH-QGZVFWFLSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000552663447 1073220398 /nfs/dbraw/zinc/22/03/98/1073220398.db2.gz BETCPHBAOKFDCH-QGZVFWFLSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552664109 1073220453 /nfs/dbraw/zinc/22/04/53/1073220453.db2.gz TXBNQPPVMKGEOJ-KRWDZBQOSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552664109 1073220443 /nfs/dbraw/zinc/22/04/43/1073220443.db2.gz TXBNQPPVMKGEOJ-KRWDZBQOSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552664110 1073220246 /nfs/dbraw/zinc/22/02/46/1073220246.db2.gz TXBNQPPVMKGEOJ-QGZVFWFLSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552664110 1073220240 /nfs/dbraw/zinc/22/02/40/1073220240.db2.gz TXBNQPPVMKGEOJ-QGZVFWFLSA-N 2 2 432.569 -0.247 20 0 IBADLP CC[N@@H+](CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000552747407 1073225889 /nfs/dbraw/zinc/22/58/89/1073225889.db2.gz HJUCHPFYTRELKX-UHFFFAOYSA-N 2 2 431.541 -0.438 20 0 IBADLP CC[N@H+](CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000552747407 1073225885 /nfs/dbraw/zinc/22/58/85/1073225885.db2.gz HJUCHPFYTRELKX-UHFFFAOYSA-N 2 2 431.541 -0.438 20 0 IBADLP CC[N@@H+](CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000552747407 1073225882 /nfs/dbraw/zinc/22/58/82/1073225882.db2.gz HJUCHPFYTRELKX-UHFFFAOYSA-N 2 2 431.541 -0.438 20 0 IBADLP CC[N@H+](CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000552747407 1073225876 /nfs/dbraw/zinc/22/58/76/1073225876.db2.gz HJUCHPFYTRELKX-UHFFFAOYSA-N 2 2 431.541 -0.438 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000552749474 1073226065 /nfs/dbraw/zinc/22/60/65/1073226065.db2.gz IURRWGOILMDREO-LEWJYISDSA-N 2 2 432.565 -0.181 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000552749474 1073226064 /nfs/dbraw/zinc/22/60/64/1073226064.db2.gz IURRWGOILMDREO-LEWJYISDSA-N 2 2 432.565 -0.181 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000552749475 1073226054 /nfs/dbraw/zinc/22/60/54/1073226054.db2.gz IURRWGOILMDREO-NHCUHLMSSA-N 2 2 432.565 -0.181 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000552749475 1073226051 /nfs/dbraw/zinc/22/60/51/1073226051.db2.gz IURRWGOILMDREO-NHCUHLMSSA-N 2 2 432.565 -0.181 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000552749476 1073225915 /nfs/dbraw/zinc/22/59/15/1073225915.db2.gz IURRWGOILMDREO-RTWAWAEBSA-N 2 2 432.565 -0.181 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000552749476 1073225910 /nfs/dbraw/zinc/22/59/10/1073225910.db2.gz IURRWGOILMDREO-RTWAWAEBSA-N 2 2 432.565 -0.181 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000552749477 1073225958 /nfs/dbraw/zinc/22/59/58/1073225958.db2.gz IURRWGOILMDREO-SFTDATJTSA-N 2 2 432.565 -0.181 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000552749477 1073225954 /nfs/dbraw/zinc/22/59/54/1073225954.db2.gz IURRWGOILMDREO-SFTDATJTSA-N 2 2 432.565 -0.181 20 0 IBADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000552803812 1073230488 /nfs/dbraw/zinc/23/04/88/1073230488.db2.gz WKKKEZYYCIJGBL-FGTMMUONSA-N 2 2 425.574 -0.387 20 0 IBADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000552803812 1073230484 /nfs/dbraw/zinc/23/04/84/1073230484.db2.gz WKKKEZYYCIJGBL-FGTMMUONSA-N 2 2 425.574 -0.387 20 0 IBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000552803812 1073230479 /nfs/dbraw/zinc/23/04/79/1073230479.db2.gz WKKKEZYYCIJGBL-FGTMMUONSA-N 2 2 425.574 -0.387 20 0 IBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000552803812 1073230472 /nfs/dbraw/zinc/23/04/72/1073230472.db2.gz WKKKEZYYCIJGBL-FGTMMUONSA-N 2 2 425.574 -0.387 20 0 IBADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000552803813 1073230380 /nfs/dbraw/zinc/23/03/80/1073230380.db2.gz WKKKEZYYCIJGBL-KSZLIROESA-N 2 2 425.574 -0.387 20 0 IBADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000552803813 1073230377 /nfs/dbraw/zinc/23/03/77/1073230377.db2.gz WKKKEZYYCIJGBL-KSZLIROESA-N 2 2 425.574 -0.387 20 0 IBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000552803813 1073230372 /nfs/dbraw/zinc/23/03/72/1073230372.db2.gz WKKKEZYYCIJGBL-KSZLIROESA-N 2 2 425.574 -0.387 20 0 IBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000552803813 1073230366 /nfs/dbraw/zinc/23/03/66/1073230366.db2.gz WKKKEZYYCIJGBL-KSZLIROESA-N 2 2 425.574 -0.387 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(c4ncc(F)cn4)CC3)CC2)CC1 ZINC000552861968 1073232694 /nfs/dbraw/zinc/23/26/94/1073232694.db2.gz XCYCKADXIQYRSL-UHFFFAOYSA-N 2 2 433.532 -0.061 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2)CC1 ZINC000552862816 1073232916 /nfs/dbraw/zinc/23/29/16/1073232916.db2.gz FVRXIIZADMSAIZ-UHFFFAOYSA-N 2 2 434.585 -0.916 20 0 IBADLP CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000552863223 1073232728 /nfs/dbraw/zinc/23/27/28/1073232728.db2.gz PIHPEXNIFXUJPG-UHFFFAOYSA-N 2 2 436.601 -0.670 20 0 IBADLP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000552864322 1073232840 /nfs/dbraw/zinc/23/28/40/1073232840.db2.gz CJZKLPXAMGMIOX-KRWDZBQOSA-N 2 2 448.612 -0.528 20 0 IBADLP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000552864323 1073233239 /nfs/dbraw/zinc/23/32/39/1073233239.db2.gz CJZKLPXAMGMIOX-QGZVFWFLSA-N 2 2 448.612 -0.528 20 0 IBADLP COc1cc(N2CCN(C(=O)C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2)ncn1 ZINC000552864771 1073232766 /nfs/dbraw/zinc/23/27/66/1073232766.db2.gz PJOWGVUPOMGBLI-UHFFFAOYSA-N 2 2 445.568 -0.191 20 0 IBADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000552888959 1073233721 /nfs/dbraw/zinc/23/37/21/1073233721.db2.gz YYIDSKYPGNLNDB-UHFFFAOYSA-N 2 2 433.557 -0.190 20 0 IBADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000552888959 1073233711 /nfs/dbraw/zinc/23/37/11/1073233711.db2.gz YYIDSKYPGNLNDB-UHFFFAOYSA-N 2 2 433.557 -0.190 20 0 IBADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000552888959 1073233702 /nfs/dbraw/zinc/23/37/02/1073233702.db2.gz YYIDSKYPGNLNDB-UHFFFAOYSA-N 2 2 433.557 -0.190 20 0 IBADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000552888959 1073233697 /nfs/dbraw/zinc/23/36/97/1073233697.db2.gz YYIDSKYPGNLNDB-UHFFFAOYSA-N 2 2 433.557 -0.190 20 0 IBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000552892957 1073234476 /nfs/dbraw/zinc/23/44/76/1073234476.db2.gz GINNTHANILWURK-FQEVSTJZSA-N 2 2 445.564 -0.161 20 0 IBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000552892957 1073234465 /nfs/dbraw/zinc/23/44/65/1073234465.db2.gz GINNTHANILWURK-FQEVSTJZSA-N 2 2 445.564 -0.161 20 0 IBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000552892958 1073234213 /nfs/dbraw/zinc/23/42/13/1073234213.db2.gz GINNTHANILWURK-HXUWFJFHSA-N 2 2 445.564 -0.161 20 0 IBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000552892958 1073234200 /nfs/dbraw/zinc/23/42/00/1073234200.db2.gz GINNTHANILWURK-HXUWFJFHSA-N 2 2 445.564 -0.161 20 0 IBADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000552925764 1073236581 /nfs/dbraw/zinc/23/65/81/1073236581.db2.gz ISHFYFUNFBTWIF-UHFFFAOYSA-N 3 2 432.569 -0.109 20 0 IBADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000552928882 1073237428 /nfs/dbraw/zinc/23/74/28/1073237428.db2.gz QZTQPDRHYWDGGL-UHFFFAOYSA-N 3 2 428.541 -0.174 20 0 IBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935268 1073240705 /nfs/dbraw/zinc/24/07/05/1073240705.db2.gz ICVIIOYCQBNWCH-AEFFLSMTSA-N 2 2 428.537 -0.165 20 0 IBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935268 1073240704 /nfs/dbraw/zinc/24/07/04/1073240704.db2.gz ICVIIOYCQBNWCH-AEFFLSMTSA-N 2 2 428.537 -0.165 20 0 IBADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935269 1073241005 /nfs/dbraw/zinc/24/10/05/1073241005.db2.gz ICVIIOYCQBNWCH-FUHWJXTLSA-N 2 2 428.537 -0.165 20 0 IBADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935269 1073241001 /nfs/dbraw/zinc/24/10/01/1073241001.db2.gz ICVIIOYCQBNWCH-FUHWJXTLSA-N 2 2 428.537 -0.165 20 0 IBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935270 1073240867 /nfs/dbraw/zinc/24/08/67/1073240867.db2.gz ICVIIOYCQBNWCH-SJLPKXTDSA-N 2 2 428.537 -0.165 20 0 IBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935270 1073240861 /nfs/dbraw/zinc/24/08/61/1073240861.db2.gz ICVIIOYCQBNWCH-SJLPKXTDSA-N 2 2 428.537 -0.165 20 0 IBADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935271 1073240760 /nfs/dbraw/zinc/24/07/60/1073240760.db2.gz ICVIIOYCQBNWCH-WMZOPIPTSA-N 2 2 428.537 -0.165 20 0 IBADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935271 1073240755 /nfs/dbraw/zinc/24/07/55/1073240755.db2.gz ICVIIOYCQBNWCH-WMZOPIPTSA-N 2 2 428.537 -0.165 20 0 IBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935590 1073240397 /nfs/dbraw/zinc/24/03/97/1073240397.db2.gz RDVOHGRZKQWRRY-GOSISDBHSA-N 2 2 446.552 -0.537 20 0 IBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935590 1073240391 /nfs/dbraw/zinc/24/03/91/1073240391.db2.gz RDVOHGRZKQWRRY-GOSISDBHSA-N 2 2 446.552 -0.537 20 0 IBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935591 1073240183 /nfs/dbraw/zinc/24/01/83/1073240183.db2.gz RDVOHGRZKQWRRY-SFHVURJKSA-N 2 2 446.552 -0.537 20 0 IBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935591 1073240178 /nfs/dbraw/zinc/24/01/78/1073240178.db2.gz RDVOHGRZKQWRRY-SFHVURJKSA-N 2 2 446.552 -0.537 20 0 IBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000553148622 1073252727 /nfs/dbraw/zinc/25/27/27/1073252727.db2.gz WTTDPKDCXJYLGL-GOSISDBHSA-N 2 2 425.574 -0.386 20 0 IBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000553148622 1073252725 /nfs/dbraw/zinc/25/27/25/1073252725.db2.gz WTTDPKDCXJYLGL-GOSISDBHSA-N 2 2 425.574 -0.386 20 0 IBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000553148623 1073252675 /nfs/dbraw/zinc/25/26/75/1073252675.db2.gz WTTDPKDCXJYLGL-SFHVURJKSA-N 2 2 425.574 -0.386 20 0 IBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000553148623 1073252671 /nfs/dbraw/zinc/25/26/71/1073252671.db2.gz WTTDPKDCXJYLGL-SFHVURJKSA-N 2 2 425.574 -0.386 20 0 IBADLP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000553268315 1073260512 /nfs/dbraw/zinc/26/05/12/1073260512.db2.gz GUQDAMDIMUSOJY-UHFFFAOYSA-N 2 2 444.540 -0.371 20 0 IBADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000553270625 1073261227 /nfs/dbraw/zinc/26/12/27/1073261227.db2.gz PUXLOAAJRNGBCR-UHFFFAOYSA-N 2 2 447.584 -0.590 20 0 IBADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)n1C ZINC000553270930 1073261072 /nfs/dbraw/zinc/26/10/72/1073261072.db2.gz YNGPMAWWWLZBCF-UHFFFAOYSA-N 2 2 443.556 -0.389 20 0 IBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000553276947 1073260913 /nfs/dbraw/zinc/26/09/13/1073260913.db2.gz UOXXNPAZIDQTCX-HNNXBMFYSA-N 2 2 430.513 -0.761 20 0 IBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000553276947 1073260906 /nfs/dbraw/zinc/26/09/06/1073260906.db2.gz UOXXNPAZIDQTCX-HNNXBMFYSA-N 2 2 430.513 -0.761 20 0 IBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000553276948 1073261209 /nfs/dbraw/zinc/26/12/09/1073261209.db2.gz UOXXNPAZIDQTCX-OAHLLOKOSA-N 2 2 430.513 -0.761 20 0 IBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000553276948 1073261202 /nfs/dbraw/zinc/26/12/02/1073261202.db2.gz UOXXNPAZIDQTCX-OAHLLOKOSA-N 2 2 430.513 -0.761 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000553401549 1073268729 /nfs/dbraw/zinc/26/87/29/1073268729.db2.gz PHGBVZKBZJLPHX-NRFANRHFSA-N 2 2 448.564 -0.589 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000553401550 1073268843 /nfs/dbraw/zinc/26/88/43/1073268843.db2.gz PHGBVZKBZJLPHX-OAQYLSRUSA-N 2 2 448.564 -0.589 20 0 IBADLP COCC[NH+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000553610626 1073277565 /nfs/dbraw/zinc/27/75/65/1073277565.db2.gz VJEXTYQTDNHXAI-UHFFFAOYSA-N 2 2 433.557 -0.714 20 0 IBADLP C[N@@H+](CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CCCC1 ZINC000553688569 1073281185 /nfs/dbraw/zinc/28/11/85/1073281185.db2.gz QSJLUXIPJSHAOT-UHFFFAOYSA-N 2 2 445.568 -0.048 20 0 IBADLP C[N@H+](CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CCCC1 ZINC000553688569 1073281177 /nfs/dbraw/zinc/28/11/77/1073281177.db2.gz QSJLUXIPJSHAOT-UHFFFAOYSA-N 2 2 445.568 -0.048 20 0 IBADLP C[N@@H+](CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CCCC1 ZINC000553688569 1073281171 /nfs/dbraw/zinc/28/11/71/1073281171.db2.gz QSJLUXIPJSHAOT-UHFFFAOYSA-N 2 2 445.568 -0.048 20 0 IBADLP C[N@H+](CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CCCC1 ZINC000553688569 1073281166 /nfs/dbraw/zinc/28/11/66/1073281166.db2.gz QSJLUXIPJSHAOT-UHFFFAOYSA-N 2 2 445.568 -0.048 20 0 IBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000553760821 1073283013 /nfs/dbraw/zinc/28/30/13/1073283013.db2.gz LWRQWORLHCCFQZ-UHFFFAOYSA-N 2 2 425.574 -0.386 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000553761170 1073282695 /nfs/dbraw/zinc/28/26/95/1073282695.db2.gz SQVFAJCXCPMFML-IBGZPJMESA-N 2 2 437.585 -0.241 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000553761171 1073283075 /nfs/dbraw/zinc/28/30/75/1073283075.db2.gz SQVFAJCXCPMFML-LJQANCHMSA-N 2 2 437.585 -0.241 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000553951605 1073293279 /nfs/dbraw/zinc/29/32/79/1073293279.db2.gz MOQKSAXPRRIARF-INIZCTEOSA-N 2 2 426.525 -0.044 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000553951605 1073293272 /nfs/dbraw/zinc/29/32/72/1073293272.db2.gz MOQKSAXPRRIARF-INIZCTEOSA-N 2 2 426.525 -0.044 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000553951611 1073293154 /nfs/dbraw/zinc/29/31/54/1073293154.db2.gz MOQKSAXPRRIARF-MRXNPFEDSA-N 2 2 426.525 -0.044 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000553951611 1073293147 /nfs/dbraw/zinc/29/31/47/1073293147.db2.gz MOQKSAXPRRIARF-MRXNPFEDSA-N 2 2 426.525 -0.044 20 0 IBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@H+]1C ZINC000554028295 1073295645 /nfs/dbraw/zinc/29/56/45/1073295645.db2.gz FDQKDNHTUQWJNB-DLBZAZTESA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@@H+]1C ZINC000554028295 1073295644 /nfs/dbraw/zinc/29/56/44/1073295644.db2.gz FDQKDNHTUQWJNB-DLBZAZTESA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@H+]1C ZINC000554028295 1073295641 /nfs/dbraw/zinc/29/56/41/1073295641.db2.gz FDQKDNHTUQWJNB-DLBZAZTESA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@@H+]1C ZINC000554028295 1073295639 /nfs/dbraw/zinc/29/56/39/1073295639.db2.gz FDQKDNHTUQWJNB-DLBZAZTESA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@H+]1C ZINC000554028296 1073295603 /nfs/dbraw/zinc/29/56/03/1073295603.db2.gz FDQKDNHTUQWJNB-IAGOWNOFSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@@H+]1C ZINC000554028296 1073295601 /nfs/dbraw/zinc/29/56/01/1073295601.db2.gz FDQKDNHTUQWJNB-IAGOWNOFSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@H+]1C ZINC000554028296 1073295598 /nfs/dbraw/zinc/29/55/98/1073295598.db2.gz FDQKDNHTUQWJNB-IAGOWNOFSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@@H+]1C ZINC000554028296 1073295596 /nfs/dbraw/zinc/29/55/96/1073295596.db2.gz FDQKDNHTUQWJNB-IAGOWNOFSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@H+]1C ZINC000554028297 1073295495 /nfs/dbraw/zinc/29/54/95/1073295495.db2.gz FDQKDNHTUQWJNB-IRXDYDNUSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@@H+]1C ZINC000554028297 1073295489 /nfs/dbraw/zinc/29/54/89/1073295489.db2.gz FDQKDNHTUQWJNB-IRXDYDNUSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@H+]1C ZINC000554028297 1073295483 /nfs/dbraw/zinc/29/54/83/1073295483.db2.gz FDQKDNHTUQWJNB-IRXDYDNUSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@@H+]1C ZINC000554028297 1073295475 /nfs/dbraw/zinc/29/54/75/1073295475.db2.gz FDQKDNHTUQWJNB-IRXDYDNUSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@H+]1C ZINC000554028298 1073295579 /nfs/dbraw/zinc/29/55/79/1073295579.db2.gz FDQKDNHTUQWJNB-SJORKVTESA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@@H+]1C ZINC000554028298 1073295577 /nfs/dbraw/zinc/29/55/77/1073295577.db2.gz FDQKDNHTUQWJNB-SJORKVTESA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@H+]1C ZINC000554028298 1073295573 /nfs/dbraw/zinc/29/55/73/1073295573.db2.gz FDQKDNHTUQWJNB-SJORKVTESA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@@H+]1C ZINC000554028298 1073295568 /nfs/dbraw/zinc/29/55/68/1073295568.db2.gz FDQKDNHTUQWJNB-SJORKVTESA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[N@H+]1C ZINC000554030876 1073295683 /nfs/dbraw/zinc/29/56/83/1073295683.db2.gz XGRVEYNQGVQMNC-FGTMMUONSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[N@@H+]1C ZINC000554030876 1073295681 /nfs/dbraw/zinc/29/56/81/1073295681.db2.gz XGRVEYNQGVQMNC-FGTMMUONSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[N@H+]1C ZINC000554030876 1073295677 /nfs/dbraw/zinc/29/56/77/1073295677.db2.gz XGRVEYNQGVQMNC-FGTMMUONSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[N@@H+]1C ZINC000554030876 1073295675 /nfs/dbraw/zinc/29/56/75/1073295675.db2.gz XGRVEYNQGVQMNC-FGTMMUONSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[N@H+]1C ZINC000554030877 1073295657 /nfs/dbraw/zinc/29/56/57/1073295657.db2.gz XGRVEYNQGVQMNC-KURKYZTESA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[N@@H+]1C ZINC000554030877 1073295656 /nfs/dbraw/zinc/29/56/56/1073295656.db2.gz XGRVEYNQGVQMNC-KURKYZTESA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[N@H+]1C ZINC000554030877 1073295654 /nfs/dbraw/zinc/29/56/54/1073295654.db2.gz XGRVEYNQGVQMNC-KURKYZTESA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[N@@H+]1C ZINC000554030877 1073295653 /nfs/dbraw/zinc/29/56/53/1073295653.db2.gz XGRVEYNQGVQMNC-KURKYZTESA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[N@H+]1C ZINC000554030878 1073295618 /nfs/dbraw/zinc/29/56/18/1073295618.db2.gz XGRVEYNQGVQMNC-KZNAEPCWSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[N@@H+]1C ZINC000554030878 1073295617 /nfs/dbraw/zinc/29/56/17/1073295617.db2.gz XGRVEYNQGVQMNC-KZNAEPCWSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[N@H+]1C ZINC000554030878 1073295614 /nfs/dbraw/zinc/29/56/14/1073295614.db2.gz XGRVEYNQGVQMNC-KZNAEPCWSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[N@@H+]1C ZINC000554030878 1073295612 /nfs/dbraw/zinc/29/56/12/1073295612.db2.gz XGRVEYNQGVQMNC-KZNAEPCWSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[N@H+]1C ZINC000554030879 1073295634 /nfs/dbraw/zinc/29/56/34/1073295634.db2.gz XGRVEYNQGVQMNC-SQNIBIBYSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[N@@H+]1C ZINC000554030879 1073295630 /nfs/dbraw/zinc/29/56/30/1073295630.db2.gz XGRVEYNQGVQMNC-SQNIBIBYSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[N@H+]1C ZINC000554030879 1073295629 /nfs/dbraw/zinc/29/56/29/1073295629.db2.gz XGRVEYNQGVQMNC-SQNIBIBYSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[N@@H+]1C ZINC000554030879 1073295627 /nfs/dbraw/zinc/29/56/27/1073295627.db2.gz XGRVEYNQGVQMNC-SQNIBIBYSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000554106369 1073303238 /nfs/dbraw/zinc/30/32/38/1073303238.db2.gz JJIUQLCBAKXASO-CALCHBBNSA-N 2 2 425.574 -0.387 20 0 IBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000554106369 1073303228 /nfs/dbraw/zinc/30/32/28/1073303228.db2.gz JJIUQLCBAKXASO-CALCHBBNSA-N 2 2 425.574 -0.387 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCc3c[nH+]c(N(C)C)n3C)CC2)CC1 ZINC000554182543 1073309881 /nfs/dbraw/zinc/30/98/81/1073309881.db2.gz CBKLMPMNWJXJMB-UHFFFAOYSA-N 2 2 447.584 -0.105 20 0 IBADLP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554200631 1073311632 /nfs/dbraw/zinc/31/16/32/1073311632.db2.gz KNWITIPXHUSDTK-KRWDZBQOSA-N 2 2 449.556 -0.907 20 0 IBADLP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554200631 1073311628 /nfs/dbraw/zinc/31/16/28/1073311628.db2.gz KNWITIPXHUSDTK-KRWDZBQOSA-N 2 2 449.556 -0.907 20 0 IBADLP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554200637 1073311864 /nfs/dbraw/zinc/31/18/64/1073311864.db2.gz KNWITIPXHUSDTK-QGZVFWFLSA-N 2 2 449.556 -0.907 20 0 IBADLP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554200637 1073311858 /nfs/dbraw/zinc/31/18/58/1073311858.db2.gz KNWITIPXHUSDTK-QGZVFWFLSA-N 2 2 449.556 -0.907 20 0 IBADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000554207917 1073311358 /nfs/dbraw/zinc/31/13/58/1073311358.db2.gz WRUANLLRAAMYNG-MSOLQXFVSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000554207917 1073311356 /nfs/dbraw/zinc/31/13/56/1073311356.db2.gz WRUANLLRAAMYNG-MSOLQXFVSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000554207919 1073311315 /nfs/dbraw/zinc/31/13/15/1073311315.db2.gz WRUANLLRAAMYNG-QZTJIDSGSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000554207919 1073311307 /nfs/dbraw/zinc/31/13/07/1073311307.db2.gz WRUANLLRAAMYNG-QZTJIDSGSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000554207921 1073311159 /nfs/dbraw/zinc/31/11/59/1073311159.db2.gz WRUANLLRAAMYNG-ROUUACIJSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000554207921 1073311154 /nfs/dbraw/zinc/31/11/54/1073311154.db2.gz WRUANLLRAAMYNG-ROUUACIJSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000554207923 1073311139 /nfs/dbraw/zinc/31/11/39/1073311139.db2.gz WRUANLLRAAMYNG-ZWKOTPCHSA-N 2 2 445.568 -0.049 20 0 IBADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000554207923 1073311132 /nfs/dbraw/zinc/31/11/32/1073311132.db2.gz WRUANLLRAAMYNG-ZWKOTPCHSA-N 2 2 445.568 -0.049 20 0 IBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000554342570 1073318651 /nfs/dbraw/zinc/31/86/51/1073318651.db2.gz AKXVKWWCFBKVNK-FQEVSTJZSA-N 2 2 432.569 -0.506 20 0 IBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000554342570 1073318644 /nfs/dbraw/zinc/31/86/44/1073318644.db2.gz AKXVKWWCFBKVNK-FQEVSTJZSA-N 2 2 432.569 -0.506 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000554342571 1073318362 /nfs/dbraw/zinc/31/83/62/1073318362.db2.gz AKXVKWWCFBKVNK-HXUWFJFHSA-N 2 2 432.569 -0.506 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000554342571 1073318349 /nfs/dbraw/zinc/31/83/49/1073318349.db2.gz AKXVKWWCFBKVNK-HXUWFJFHSA-N 2 2 432.569 -0.506 20 0 IBADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)cc(OC)c1 ZINC000554343859 1073319319 /nfs/dbraw/zinc/31/93/19/1073319319.db2.gz WUQAAGAXMOVENR-MSOLQXFVSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)cc(OC)c1 ZINC000554343859 1073319311 /nfs/dbraw/zinc/31/93/11/1073319311.db2.gz WUQAAGAXMOVENR-MSOLQXFVSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)C2)cc(OC)c1 ZINC000554343859 1073319303 /nfs/dbraw/zinc/31/93/03/1073319303.db2.gz WUQAAGAXMOVENR-MSOLQXFVSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)C2)cc(OC)c1 ZINC000554343859 1073319294 /nfs/dbraw/zinc/31/92/94/1073319294.db2.gz WUQAAGAXMOVENR-MSOLQXFVSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)cc(OC)c1 ZINC000554343860 1073319446 /nfs/dbraw/zinc/31/94/46/1073319446.db2.gz WUQAAGAXMOVENR-QZTJIDSGSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)cc(OC)c1 ZINC000554343860 1073319439 /nfs/dbraw/zinc/31/94/39/1073319439.db2.gz WUQAAGAXMOVENR-QZTJIDSGSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)C2)cc(OC)c1 ZINC000554343860 1073319428 /nfs/dbraw/zinc/31/94/28/1073319428.db2.gz WUQAAGAXMOVENR-QZTJIDSGSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)C2)cc(OC)c1 ZINC000554343860 1073319417 /nfs/dbraw/zinc/31/94/17/1073319417.db2.gz WUQAAGAXMOVENR-QZTJIDSGSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[NH+]2CC[C@H](NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)cc(OC)c1 ZINC000554343861 1073319692 /nfs/dbraw/zinc/31/96/92/1073319692.db2.gz WUQAAGAXMOVENR-ROUUACIJSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[NH+]2CC[C@H](NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)cc(OC)c1 ZINC000554343861 1073319687 /nfs/dbraw/zinc/31/96/87/1073319687.db2.gz WUQAAGAXMOVENR-ROUUACIJSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)C2)cc(OC)c1 ZINC000554343861 1073319679 /nfs/dbraw/zinc/31/96/79/1073319679.db2.gz WUQAAGAXMOVENR-ROUUACIJSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)C2)cc(OC)c1 ZINC000554343861 1073319671 /nfs/dbraw/zinc/31/96/71/1073319671.db2.gz WUQAAGAXMOVENR-ROUUACIJSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[NH+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)cc(OC)c1 ZINC000554343862 1073319522 /nfs/dbraw/zinc/31/95/22/1073319522.db2.gz WUQAAGAXMOVENR-ZWKOTPCHSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[NH+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)cc(OC)c1 ZINC000554343862 1073319513 /nfs/dbraw/zinc/31/95/13/1073319513.db2.gz WUQAAGAXMOVENR-ZWKOTPCHSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)C2)cc(OC)c1 ZINC000554343862 1073319503 /nfs/dbraw/zinc/31/95/03/1073319503.db2.gz WUQAAGAXMOVENR-ZWKOTPCHSA-N 2 2 433.553 -0.244 20 0 IBADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)C2)cc(OC)c1 ZINC000554343862 1073319491 /nfs/dbraw/zinc/31/94/91/1073319491.db2.gz WUQAAGAXMOVENR-ZWKOTPCHSA-N 2 2 433.553 -0.244 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000554343952 1073318883 /nfs/dbraw/zinc/31/88/83/1073318883.db2.gz ZKWDKDZJRPYINP-CEXWTWQISA-N 2 2 439.601 -0.535 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000554343952 1073318876 /nfs/dbraw/zinc/31/88/76/1073318876.db2.gz ZKWDKDZJRPYINP-CEXWTWQISA-N 2 2 439.601 -0.535 20 0 IBADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000554343952 1073318870 /nfs/dbraw/zinc/31/88/70/1073318870.db2.gz ZKWDKDZJRPYINP-CEXWTWQISA-N 2 2 439.601 -0.535 20 0 IBADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000554343952 1073318860 /nfs/dbraw/zinc/31/88/60/1073318860.db2.gz ZKWDKDZJRPYINP-CEXWTWQISA-N 2 2 439.601 -0.535 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)C[C@@H](C)O1 ZINC000554343953 1073318736 /nfs/dbraw/zinc/31/87/36/1073318736.db2.gz ZKWDKDZJRPYINP-GUDVDZBRSA-N 2 2 439.601 -0.535 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)C[C@@H](C)O1 ZINC000554343953 1073318730 /nfs/dbraw/zinc/31/87/30/1073318730.db2.gz ZKWDKDZJRPYINP-GUDVDZBRSA-N 2 2 439.601 -0.535 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000554343954 1073318687 /nfs/dbraw/zinc/31/86/87/1073318687.db2.gz ZKWDKDZJRPYINP-OTWHNJEPSA-N 2 2 439.601 -0.535 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000554343954 1073318681 /nfs/dbraw/zinc/31/86/81/1073318681.db2.gz ZKWDKDZJRPYINP-OTWHNJEPSA-N 2 2 439.601 -0.535 20 0 IBADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000554343954 1073318673 /nfs/dbraw/zinc/31/86/73/1073318673.db2.gz ZKWDKDZJRPYINP-OTWHNJEPSA-N 2 2 439.601 -0.535 20 0 IBADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000554343954 1073318661 /nfs/dbraw/zinc/31/86/61/1073318661.db2.gz ZKWDKDZJRPYINP-OTWHNJEPSA-N 2 2 439.601 -0.535 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)C[C@@H](C)O1 ZINC000554343955 1073318785 /nfs/dbraw/zinc/31/87/85/1073318785.db2.gz ZKWDKDZJRPYINP-QRVBRYPASA-N 2 2 439.601 -0.535 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)C[C@@H](C)O1 ZINC000554343955 1073318778 /nfs/dbraw/zinc/31/87/78/1073318778.db2.gz ZKWDKDZJRPYINP-QRVBRYPASA-N 2 2 439.601 -0.535 20 0 IBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554352748 1073320174 /nfs/dbraw/zinc/32/01/74/1073320174.db2.gz SYGRFVFXEDHYCB-MOPGFXCFSA-N 2 2 435.569 -0.487 20 0 IBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554352749 1073319894 /nfs/dbraw/zinc/31/98/94/1073319894.db2.gz SYGRFVFXEDHYCB-OALUTQOASA-N 2 2 435.569 -0.487 20 0 IBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554352750 1073320123 /nfs/dbraw/zinc/32/01/23/1073320123.db2.gz SYGRFVFXEDHYCB-RBUKOAKNSA-N 2 2 435.569 -0.487 20 0 IBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554352751 1073320196 /nfs/dbraw/zinc/32/01/96/1073320196.db2.gz SYGRFVFXEDHYCB-RTBURBONSA-N 2 2 435.569 -0.487 20 0 IBADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554441967 1073323807 /nfs/dbraw/zinc/32/38/07/1073323807.db2.gz AHAZDOJPVDHEKX-MSOLQXFVSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554441967 1073323795 /nfs/dbraw/zinc/32/37/95/1073323795.db2.gz AHAZDOJPVDHEKX-MSOLQXFVSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554441967 1073323785 /nfs/dbraw/zinc/32/37/85/1073323785.db2.gz AHAZDOJPVDHEKX-MSOLQXFVSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554441967 1073323783 /nfs/dbraw/zinc/32/37/83/1073323783.db2.gz AHAZDOJPVDHEKX-MSOLQXFVSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554441973 1073323610 /nfs/dbraw/zinc/32/36/10/1073323610.db2.gz AHAZDOJPVDHEKX-QZTJIDSGSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554441973 1073323601 /nfs/dbraw/zinc/32/36/01/1073323601.db2.gz AHAZDOJPVDHEKX-QZTJIDSGSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554441973 1073323592 /nfs/dbraw/zinc/32/35/92/1073323592.db2.gz AHAZDOJPVDHEKX-QZTJIDSGSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554441973 1073323584 /nfs/dbraw/zinc/32/35/84/1073323584.db2.gz AHAZDOJPVDHEKX-QZTJIDSGSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554441975 1073323730 /nfs/dbraw/zinc/32/37/30/1073323730.db2.gz AHAZDOJPVDHEKX-ROUUACIJSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554441975 1073323719 /nfs/dbraw/zinc/32/37/19/1073323719.db2.gz AHAZDOJPVDHEKX-ROUUACIJSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554441975 1073323709 /nfs/dbraw/zinc/32/37/09/1073323709.db2.gz AHAZDOJPVDHEKX-ROUUACIJSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554441975 1073323699 /nfs/dbraw/zinc/32/36/99/1073323699.db2.gz AHAZDOJPVDHEKX-ROUUACIJSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554441977 1073323991 /nfs/dbraw/zinc/32/39/91/1073323991.db2.gz AHAZDOJPVDHEKX-ZWKOTPCHSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554441977 1073323981 /nfs/dbraw/zinc/32/39/81/1073323981.db2.gz AHAZDOJPVDHEKX-ZWKOTPCHSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554441977 1073323977 /nfs/dbraw/zinc/32/39/77/1073323977.db2.gz AHAZDOJPVDHEKX-ZWKOTPCHSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554441977 1073323970 /nfs/dbraw/zinc/32/39/70/1073323970.db2.gz AHAZDOJPVDHEKX-ZWKOTPCHSA-N 2 2 445.568 -0.001 20 0 IBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554443939 1073324426 /nfs/dbraw/zinc/32/44/26/1073324426.db2.gz WCGDMLMREYPYBS-KRWDZBQOSA-N 2 2 445.568 -0.049 20 0 IBADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554443939 1073324419 /nfs/dbraw/zinc/32/44/19/1073324419.db2.gz WCGDMLMREYPYBS-KRWDZBQOSA-N 2 2 445.568 -0.049 20 0 IBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554443939 1073324414 /nfs/dbraw/zinc/32/44/14/1073324414.db2.gz WCGDMLMREYPYBS-KRWDZBQOSA-N 2 2 445.568 -0.049 20 0 IBADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554443939 1073324408 /nfs/dbraw/zinc/32/44/08/1073324408.db2.gz WCGDMLMREYPYBS-KRWDZBQOSA-N 2 2 445.568 -0.049 20 0 IBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554443940 1073324396 /nfs/dbraw/zinc/32/43/96/1073324396.db2.gz WCGDMLMREYPYBS-QGZVFWFLSA-N 2 2 445.568 -0.049 20 0 IBADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000554443940 1073324391 /nfs/dbraw/zinc/32/43/91/1073324391.db2.gz WCGDMLMREYPYBS-QGZVFWFLSA-N 2 2 445.568 -0.049 20 0 IBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554443940 1073324388 /nfs/dbraw/zinc/32/43/88/1073324388.db2.gz WCGDMLMREYPYBS-QGZVFWFLSA-N 2 2 445.568 -0.049 20 0 IBADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000554443940 1073324385 /nfs/dbraw/zinc/32/43/85/1073324385.db2.gz WCGDMLMREYPYBS-QGZVFWFLSA-N 2 2 445.568 -0.049 20 0 IBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000554810727 1073342718 /nfs/dbraw/zinc/34/27/18/1073342718.db2.gz XHERHLUGPVLVPH-AEFFLSMTSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000554810727 1073342714 /nfs/dbraw/zinc/34/27/14/1073342714.db2.gz XHERHLUGPVLVPH-AEFFLSMTSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000554810727 1073342709 /nfs/dbraw/zinc/34/27/09/1073342709.db2.gz XHERHLUGPVLVPH-AEFFLSMTSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000554810727 1073342703 /nfs/dbraw/zinc/34/27/03/1073342703.db2.gz XHERHLUGPVLVPH-AEFFLSMTSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000554810728 1073342746 /nfs/dbraw/zinc/34/27/46/1073342746.db2.gz XHERHLUGPVLVPH-FUHWJXTLSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000554810728 1073342742 /nfs/dbraw/zinc/34/27/42/1073342742.db2.gz XHERHLUGPVLVPH-FUHWJXTLSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000554810728 1073342738 /nfs/dbraw/zinc/34/27/38/1073342738.db2.gz XHERHLUGPVLVPH-FUHWJXTLSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000554810728 1073342735 /nfs/dbraw/zinc/34/27/35/1073342735.db2.gz XHERHLUGPVLVPH-FUHWJXTLSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000554810729 1073342632 /nfs/dbraw/zinc/34/26/32/1073342632.db2.gz XHERHLUGPVLVPH-SJLPKXTDSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000554810729 1073342620 /nfs/dbraw/zinc/34/26/20/1073342620.db2.gz XHERHLUGPVLVPH-SJLPKXTDSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000554810729 1073342605 /nfs/dbraw/zinc/34/26/05/1073342605.db2.gz XHERHLUGPVLVPH-SJLPKXTDSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000554810729 1073342594 /nfs/dbraw/zinc/34/25/94/1073342594.db2.gz XHERHLUGPVLVPH-SJLPKXTDSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000554810730 1073342498 /nfs/dbraw/zinc/34/24/98/1073342498.db2.gz XHERHLUGPVLVPH-WMZOPIPTSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000554810730 1073342488 /nfs/dbraw/zinc/34/24/88/1073342488.db2.gz XHERHLUGPVLVPH-WMZOPIPTSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000554810730 1073342476 /nfs/dbraw/zinc/34/24/76/1073342476.db2.gz XHERHLUGPVLVPH-WMZOPIPTSA-N 2 2 443.552 -0.439 20 0 IBADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000554810730 1073342461 /nfs/dbraw/zinc/34/24/61/1073342461.db2.gz XHERHLUGPVLVPH-WMZOPIPTSA-N 2 2 443.552 -0.439 20 0 IBADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)C1=O ZINC000554865687 1073345441 /nfs/dbraw/zinc/34/54/41/1073345441.db2.gz RYWLEYHLJSJWER-MOPGFXCFSA-N 2 2 435.569 -0.489 20 0 IBADLP CN1CC[C@H]([NH+]2CCC(NC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)C1=O ZINC000554865688 1073345478 /nfs/dbraw/zinc/34/54/78/1073345478.db2.gz RYWLEYHLJSJWER-OALUTQOASA-N 2 2 435.569 -0.489 20 0 IBADLP CN1CC[C@H]([NH+]2CCC(NC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)C1=O ZINC000554865689 1073345398 /nfs/dbraw/zinc/34/53/98/1073345398.db2.gz RYWLEYHLJSJWER-RBUKOAKNSA-N 2 2 435.569 -0.489 20 0 IBADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)C1=O ZINC000554865691 1073345523 /nfs/dbraw/zinc/34/55/23/1073345523.db2.gz RYWLEYHLJSJWER-RTBURBONSA-N 2 2 435.569 -0.489 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000555288948 1073333783 /nfs/dbraw/zinc/33/37/83/1073333783.db2.gz HSWGZKIZYLKZAT-GOSISDBHSA-N 2 2 434.541 -0.275 20 0 IBADLP CC[N@H+]1CC[C@H]2OCCN(CC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)[C@H]2C1 ZINC000555585677 1073369976 /nfs/dbraw/zinc/36/99/76/1073369976.db2.gz PCKVYNXVLDKHIL-ZWKOTPCHSA-N 2 2 428.541 -0.193 20 0 IBADLP CC[N@@H+]1CC[C@H]2OCCN(CC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)[C@H]2C1 ZINC000555585677 1073369965 /nfs/dbraw/zinc/36/99/65/1073369965.db2.gz PCKVYNXVLDKHIL-ZWKOTPCHSA-N 2 2 428.541 -0.193 20 0 IBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000555648127 1073373446 /nfs/dbraw/zinc/37/34/46/1073373446.db2.gz INUAAHMUAGAAKX-IBGZPJMESA-N 2 2 449.596 -0.097 20 0 IBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000555648127 1073373433 /nfs/dbraw/zinc/37/34/33/1073373433.db2.gz INUAAHMUAGAAKX-IBGZPJMESA-N 2 2 449.596 -0.097 20 0 IBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000555648129 1073373646 /nfs/dbraw/zinc/37/36/46/1073373646.db2.gz INUAAHMUAGAAKX-LJQANCHMSA-N 2 2 449.596 -0.097 20 0 IBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000555648129 1073373636 /nfs/dbraw/zinc/37/36/36/1073373636.db2.gz INUAAHMUAGAAKX-LJQANCHMSA-N 2 2 449.596 -0.097 20 0 IBADLP COc1ccc([C@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[NH+](C)C)cc1OC ZINC000555680813 1073375613 /nfs/dbraw/zinc/37/56/13/1073375613.db2.gz RZJZHNWYRUCJKS-KRWDZBQOSA-N 2 2 449.552 -0.297 20 0 IBADLP COc1ccc([C@@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[NH+](C)C)cc1OC ZINC000555680817 1073375740 /nfs/dbraw/zinc/37/57/40/1073375740.db2.gz RZJZHNWYRUCJKS-QGZVFWFLSA-N 2 2 449.552 -0.297 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000555729361 1073379152 /nfs/dbraw/zinc/37/91/52/1073379152.db2.gz UVIBOSCNLCLSBI-IBGZPJMESA-N 2 2 439.601 -0.138 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000555729361 1073379141 /nfs/dbraw/zinc/37/91/41/1073379141.db2.gz UVIBOSCNLCLSBI-IBGZPJMESA-N 2 2 439.601 -0.138 20 0 IBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000555729361 1073379130 /nfs/dbraw/zinc/37/91/30/1073379130.db2.gz UVIBOSCNLCLSBI-IBGZPJMESA-N 2 2 439.601 -0.138 20 0 IBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000555729361 1073379119 /nfs/dbraw/zinc/37/91/19/1073379119.db2.gz UVIBOSCNLCLSBI-IBGZPJMESA-N 2 2 439.601 -0.138 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000555729362 1073378626 /nfs/dbraw/zinc/37/86/26/1073378626.db2.gz UVIBOSCNLCLSBI-LJQANCHMSA-N 2 2 439.601 -0.138 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000555729362 1073378611 /nfs/dbraw/zinc/37/86/11/1073378611.db2.gz UVIBOSCNLCLSBI-LJQANCHMSA-N 2 2 439.601 -0.138 20 0 IBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000555729362 1073378597 /nfs/dbraw/zinc/37/85/97/1073378597.db2.gz UVIBOSCNLCLSBI-LJQANCHMSA-N 2 2 439.601 -0.138 20 0 IBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000555729362 1073378593 /nfs/dbraw/zinc/37/85/93/1073378593.db2.gz UVIBOSCNLCLSBI-LJQANCHMSA-N 2 2 439.601 -0.138 20 0 IBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000555731654 1073378689 /nfs/dbraw/zinc/37/86/89/1073378689.db2.gz RVNNKFBKHRODRN-INIZCTEOSA-N 2 2 444.540 -0.515 20 0 IBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000555731654 1073378676 /nfs/dbraw/zinc/37/86/76/1073378676.db2.gz RVNNKFBKHRODRN-INIZCTEOSA-N 2 2 444.540 -0.515 20 0 IBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000555731667 1073378779 /nfs/dbraw/zinc/37/87/79/1073378779.db2.gz RVNNKFBKHRODRN-MRXNPFEDSA-N 2 2 444.540 -0.515 20 0 IBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000555731667 1073378770 /nfs/dbraw/zinc/37/87/70/1073378770.db2.gz RVNNKFBKHRODRN-MRXNPFEDSA-N 2 2 444.540 -0.515 20 0 IBADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000555809299 1073382713 /nfs/dbraw/zinc/38/27/13/1073382713.db2.gz INHOLFICHXVSPT-HDICACEKSA-N 2 2 437.585 -0.243 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000555855723 1073384702 /nfs/dbraw/zinc/38/47/02/1073384702.db2.gz CVRURBQWERRURC-GOSISDBHSA-N 2 2 425.574 -0.528 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000555855724 1073384784 /nfs/dbraw/zinc/38/47/84/1073384784.db2.gz CVRURBQWERRURC-SFHVURJKSA-N 2 2 425.574 -0.528 20 0 IBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000555865467 1073385674 /nfs/dbraw/zinc/38/56/74/1073385674.db2.gz FDQGYLOWVFANPO-UHFFFAOYSA-N 2 2 431.585 -0.455 20 0 IBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000555865467 1073385669 /nfs/dbraw/zinc/38/56/69/1073385669.db2.gz FDQGYLOWVFANPO-UHFFFAOYSA-N 2 2 431.585 -0.455 20 0 IBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000555866458 1073385991 /nfs/dbraw/zinc/38/59/91/1073385991.db2.gz KEOINCQBKKRAJH-UHFFFAOYSA-N 2 2 445.612 -0.017 20 0 IBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000555866458 1073385982 /nfs/dbraw/zinc/38/59/82/1073385982.db2.gz KEOINCQBKKRAJH-UHFFFAOYSA-N 2 2 445.612 -0.017 20 0 IBADLP CCC(CC)[C@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000555899101 1073389360 /nfs/dbraw/zinc/38/93/60/1073389360.db2.gz RYIBMJLYDGGFRL-IBGZPJMESA-N 2 2 439.601 -0.092 20 0 IBADLP CCC(CC)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000555899103 1073389331 /nfs/dbraw/zinc/38/93/31/1073389331.db2.gz RYIBMJLYDGGFRL-LJQANCHMSA-N 2 2 439.601 -0.092 20 0 IBADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000555908327 1073390631 /nfs/dbraw/zinc/39/06/31/1073390631.db2.gz KSSIPAWQZFKJIX-IBGZPJMESA-N 2 2 437.585 -0.384 20 0 IBADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000555908336 1073391150 /nfs/dbraw/zinc/39/11/50/1073391150.db2.gz KSSIPAWQZFKJIX-LJQANCHMSA-N 2 2 437.585 -0.384 20 0 IBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000555914222 1073392869 /nfs/dbraw/zinc/39/28/69/1073392869.db2.gz RDNKYIKYXWGZRQ-GOSISDBHSA-N 2 2 447.584 -0.592 20 0 IBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000555914222 1073392858 /nfs/dbraw/zinc/39/28/58/1073392858.db2.gz RDNKYIKYXWGZRQ-GOSISDBHSA-N 2 2 447.584 -0.592 20 0 IBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000555914223 1073392616 /nfs/dbraw/zinc/39/26/16/1073392616.db2.gz RDNKYIKYXWGZRQ-SFHVURJKSA-N 2 2 447.584 -0.592 20 0 IBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000555914223 1073392606 /nfs/dbraw/zinc/39/26/06/1073392606.db2.gz RDNKYIKYXWGZRQ-SFHVURJKSA-N 2 2 447.584 -0.592 20 0 IBADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000555916432 1073393094 /nfs/dbraw/zinc/39/30/94/1073393094.db2.gz AAQMMQLYSKVWSX-KDURUIRLSA-N 2 2 447.584 -0.280 20 0 IBADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000555916432 1073393088 /nfs/dbraw/zinc/39/30/88/1073393088.db2.gz AAQMMQLYSKVWSX-KDURUIRLSA-N 2 2 447.584 -0.280 20 0 IBADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000555916437 1073393162 /nfs/dbraw/zinc/39/31/62/1073393162.db2.gz AAQMMQLYSKVWSX-OALUTQOASA-N 2 2 447.584 -0.280 20 0 IBADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H](C)O1 ZINC000555916439 1073393114 /nfs/dbraw/zinc/39/31/14/1073393114.db2.gz AAQMMQLYSKVWSX-RTBURBONSA-N 2 2 447.584 -0.280 20 0 IBADLP CN(C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000555921199 1073392073 /nfs/dbraw/zinc/39/20/73/1073392073.db2.gz ABNVALZJIYMUSN-KDURUIRLSA-N 2 2 445.564 -0.366 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000555922923 1073393552 /nfs/dbraw/zinc/39/35/52/1073393552.db2.gz WJFOYBBXKVNOAF-FQEVSTJZSA-N 2 2 445.612 -0.162 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000555922923 1073393545 /nfs/dbraw/zinc/39/35/45/1073393545.db2.gz WJFOYBBXKVNOAF-FQEVSTJZSA-N 2 2 445.612 -0.162 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000555922924 1073393664 /nfs/dbraw/zinc/39/36/64/1073393664.db2.gz WJFOYBBXKVNOAF-HXUWFJFHSA-N 2 2 445.612 -0.162 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000555922924 1073393662 /nfs/dbraw/zinc/39/36/62/1073393662.db2.gz WJFOYBBXKVNOAF-HXUWFJFHSA-N 2 2 445.612 -0.162 20 0 IBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000555996543 1073401427 /nfs/dbraw/zinc/40/14/27/1073401427.db2.gz AJQWKUFSEKJRSV-KRWDZBQOSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000555996543 1073401419 /nfs/dbraw/zinc/40/14/19/1073401419.db2.gz AJQWKUFSEKJRSV-KRWDZBQOSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000555996544 1073401531 /nfs/dbraw/zinc/40/15/31/1073401531.db2.gz AJQWKUFSEKJRSV-QGZVFWFLSA-N 2 2 432.569 -0.247 20 0 IBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000555996544 1073401527 /nfs/dbraw/zinc/40/15/27/1073401527.db2.gz AJQWKUFSEKJRSV-QGZVFWFLSA-N 2 2 432.569 -0.247 20 0 IBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCCCN3CC[NH+](C)CC3)cn2)CC1 ZINC000556053614 1072812252 /nfs/dbraw/zinc/81/22/52/1072812252.db2.gz WAPCZBDWBNKQGC-UHFFFAOYSA-N 2 2 445.612 -0.017 20 0 IBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)CCC[NH+]3CCN(C)CC3)cn2)CC1 ZINC000556055186 1072811998 /nfs/dbraw/zinc/81/19/98/1072811998.db2.gz NENZQBXBTSACMS-UHFFFAOYSA-N 2 2 445.612 -0.064 20 0 IBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)CCCN3CC[NH+](C)CC3)cn2)CC1 ZINC000556055186 1072811986 /nfs/dbraw/zinc/81/19/86/1072811986.db2.gz NENZQBXBTSACMS-UHFFFAOYSA-N 2 2 445.612 -0.064 20 0 IBADLP Cc1cc(N2CCC(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC000556077691 1072815124 /nfs/dbraw/zinc/81/51/24/1072815124.db2.gz IXXIHNWZZLJVJS-UHFFFAOYSA-N 2 2 431.541 -0.541 20 0 IBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000556101677 1072819227 /nfs/dbraw/zinc/81/92/27/1072819227.db2.gz ZIMWRAWMIASBNQ-UHFFFAOYSA-N 2 2 437.585 -0.382 20 0 IBADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000556112363 1072821624 /nfs/dbraw/zinc/82/16/24/1072821624.db2.gz GPKGYPDIMOHWDK-GOSISDBHSA-N 2 2 445.568 -0.048 20 0 IBADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000556112363 1072821614 /nfs/dbraw/zinc/82/16/14/1072821614.db2.gz GPKGYPDIMOHWDK-GOSISDBHSA-N 2 2 445.568 -0.048 20 0 IBADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000556112366 1072821597 /nfs/dbraw/zinc/82/15/97/1072821597.db2.gz GPKGYPDIMOHWDK-SFHVURJKSA-N 2 2 445.568 -0.048 20 0 IBADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000556112366 1072821588 /nfs/dbraw/zinc/82/15/88/1072821588.db2.gz GPKGYPDIMOHWDK-SFHVURJKSA-N 2 2 445.568 -0.048 20 0 IBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000556114823 1072819847 /nfs/dbraw/zinc/81/98/47/1072819847.db2.gz AKFRZQQWEOFEMH-NRFANRHFSA-N 2 2 430.597 -0.328 20 0 IBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000556114823 1072819837 /nfs/dbraw/zinc/81/98/37/1072819837.db2.gz AKFRZQQWEOFEMH-NRFANRHFSA-N 2 2 430.597 -0.328 20 0 IBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000556114823 1072819831 /nfs/dbraw/zinc/81/98/31/1072819831.db2.gz AKFRZQQWEOFEMH-NRFANRHFSA-N 2 2 430.597 -0.328 20 0 IBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000556114823 1072819823 /nfs/dbraw/zinc/81/98/23/1072819823.db2.gz AKFRZQQWEOFEMH-NRFANRHFSA-N 2 2 430.597 -0.328 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000556114824 1072820550 /nfs/dbraw/zinc/82/05/50/1072820550.db2.gz AKFRZQQWEOFEMH-OAQYLSRUSA-N 2 2 430.597 -0.328 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000556114824 1072820540 /nfs/dbraw/zinc/82/05/40/1072820540.db2.gz AKFRZQQWEOFEMH-OAQYLSRUSA-N 2 2 430.597 -0.328 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000556114824 1072820533 /nfs/dbraw/zinc/82/05/33/1072820533.db2.gz AKFRZQQWEOFEMH-OAQYLSRUSA-N 2 2 430.597 -0.328 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000556114824 1072820526 /nfs/dbraw/zinc/82/05/26/1072820526.db2.gz AKFRZQQWEOFEMH-OAQYLSRUSA-N 2 2 430.597 -0.328 20 0 IBADLP CCC(CC)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)[NH+]1CCOCC1 ZINC000556186661 1072829167 /nfs/dbraw/zinc/82/91/67/1072829167.db2.gz GMKXCSNMMAHIEK-GOSISDBHSA-N 2 2 425.574 -0.434 20 0 IBADLP CCC(CC)[C@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)[NH+]1CCOCC1 ZINC000556186662 1072829110 /nfs/dbraw/zinc/82/91/10/1072829110.db2.gz GMKXCSNMMAHIEK-SFHVURJKSA-N 2 2 425.574 -0.434 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000556187470 1072829985 /nfs/dbraw/zinc/82/99/85/1072829985.db2.gz BVHPGNPTIPCIQK-UHFFFAOYSA-N 2 2 431.537 -0.538 20 0 IBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000556197436 1072831838 /nfs/dbraw/zinc/83/18/38/1072831838.db2.gz OURBGBDAIPHTKS-UHFFFAOYSA-N 2 2 444.580 -0.406 20 0 IBADLP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)CN1CC[NH+](C)CC1 ZINC000556347202 1072846433 /nfs/dbraw/zinc/84/64/33/1072846433.db2.gz GMQFMWREKJIKQM-NRFANRHFSA-N 2 2 444.624 -0.080 20 0 IBADLP C[C@H](CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)CN1CC[NH+](C)CC1 ZINC000556347203 1072846389 /nfs/dbraw/zinc/84/63/89/1072846389.db2.gz GMQFMWREKJIKQM-OAQYLSRUSA-N 2 2 444.624 -0.080 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000556365279 1072849694 /nfs/dbraw/zinc/84/96/94/1072849694.db2.gz QVKKZOWPCZEAIS-MSOLQXFVSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000556365279 1072849679 /nfs/dbraw/zinc/84/96/79/1072849679.db2.gz QVKKZOWPCZEAIS-MSOLQXFVSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000556365281 1072849636 /nfs/dbraw/zinc/84/96/36/1072849636.db2.gz QVKKZOWPCZEAIS-QZTJIDSGSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000556365281 1072849623 /nfs/dbraw/zinc/84/96/23/1072849623.db2.gz QVKKZOWPCZEAIS-QZTJIDSGSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000556365282 1072849419 /nfs/dbraw/zinc/84/94/19/1072849419.db2.gz QVKKZOWPCZEAIS-ROUUACIJSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000556365282 1072849389 /nfs/dbraw/zinc/84/93/89/1072849389.db2.gz QVKKZOWPCZEAIS-ROUUACIJSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000556365284 1072849507 /nfs/dbraw/zinc/84/95/07/1072849507.db2.gz QVKKZOWPCZEAIS-ZWKOTPCHSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000556365284 1072849485 /nfs/dbraw/zinc/84/94/85/1072849485.db2.gz QVKKZOWPCZEAIS-ZWKOTPCHSA-N 2 2 428.537 -0.021 20 0 IBADLP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000556371845 1072850969 /nfs/dbraw/zinc/85/09/69/1072850969.db2.gz UBRXYTRQDGPNQF-FQEVSTJZSA-N 2 2 430.597 -0.076 20 0 IBADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C[NH+]1CCN(C)CC1 ZINC000556371847 1072851058 /nfs/dbraw/zinc/85/10/58/1072851058.db2.gz UBRXYTRQDGPNQF-HXUWFJFHSA-N 2 2 430.597 -0.076 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000557105925 1074683648 /nfs/dbraw/zinc/68/36/48/1074683648.db2.gz FJGJXQSVGKTZLB-KRWDZBQOSA-N 2 2 446.552 -0.455 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000557105925 1074683643 /nfs/dbraw/zinc/68/36/43/1074683643.db2.gz FJGJXQSVGKTZLB-KRWDZBQOSA-N 2 2 446.552 -0.455 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000557105929 1074683701 /nfs/dbraw/zinc/68/37/01/1074683701.db2.gz FJGJXQSVGKTZLB-QGZVFWFLSA-N 2 2 446.552 -0.455 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000557105929 1074683695 /nfs/dbraw/zinc/68/36/95/1074683695.db2.gz FJGJXQSVGKTZLB-QGZVFWFLSA-N 2 2 446.552 -0.455 20 0 IBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000557108702 1074684095 /nfs/dbraw/zinc/68/40/95/1074684095.db2.gz OSTIIRUSHDHYKK-UHFFFAOYSA-N 2 2 431.585 -0.455 20 0 IBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000557108702 1074684089 /nfs/dbraw/zinc/68/40/89/1074684089.db2.gz OSTIIRUSHDHYKK-UHFFFAOYSA-N 2 2 431.585 -0.455 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000557109570 1074684147 /nfs/dbraw/zinc/68/41/47/1074684147.db2.gz FCAAIOBTFMQYLX-UHFFFAOYSA-N 2 2 445.568 -0.928 20 0 IBADLP COc1ccnc(N2CCN(C(=O)C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2)n1 ZINC000557236878 1074687992 /nfs/dbraw/zinc/68/79/92/1074687992.db2.gz HTXKYPLNRLXUMK-UHFFFAOYSA-N 2 2 445.568 -0.191 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)CC1 ZINC000557237582 1074687927 /nfs/dbraw/zinc/68/79/27/1074687927.db2.gz LFAHACZKYHGYPS-IBGZPJMESA-N 2 2 435.569 -0.489 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)CC1 ZINC000557237584 1074687907 /nfs/dbraw/zinc/68/79/07/1074687907.db2.gz LFAHACZKYHGYPS-LJQANCHMSA-N 2 2 435.569 -0.489 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(c4nc(N)ns4)CC3)CC2)CC1 ZINC000557239706 1074688434 /nfs/dbraw/zinc/68/84/34/1074688434.db2.gz MIKZCZVCJIIZCR-UHFFFAOYSA-N 2 2 436.586 -0.556 20 0 IBADLP CCS(=O)(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000557240534 1074688513 /nfs/dbraw/zinc/68/85/13/1074688513.db2.gz SFTFYXDQJKCTHB-UHFFFAOYSA-N 2 2 429.587 -0.845 20 0 IBADLP C[C@H](CNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCOCC1 ZINC000557247101 1074689013 /nfs/dbraw/zinc/68/90/13/1074689013.db2.gz QSHCGBCVCDCIPX-GOSISDBHSA-N 2 2 437.585 -0.526 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCOCC1 ZINC000557247102 1074688968 /nfs/dbraw/zinc/68/89/68/1074688968.db2.gz QSHCGBCVCDCIPX-SFHVURJKSA-N 2 2 437.585 -0.526 20 0 IBADLP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)CN1CCOCC1 ZINC000557250000 1074688977 /nfs/dbraw/zinc/68/89/77/1074688977.db2.gz KQAMCRUWYYSQLV-IBGZPJMESA-N 2 2 432.569 -0.206 20 0 IBADLP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCOCC1 ZINC000557250000 1074688975 /nfs/dbraw/zinc/68/89/75/1074688975.db2.gz KQAMCRUWYYSQLV-IBGZPJMESA-N 3 2 432.569 -0.206 20 0 IBADLP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)CN1CCOCC1 ZINC000557250002 1074688971 /nfs/dbraw/zinc/68/89/71/1074688971.db2.gz KQAMCRUWYYSQLV-LJQANCHMSA-N 2 2 432.569 -0.206 20 0 IBADLP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCOCC1 ZINC000557250002 1074688970 /nfs/dbraw/zinc/68/89/70/1074688970.db2.gz KQAMCRUWYYSQLV-LJQANCHMSA-N 3 2 432.569 -0.206 20 0 IBADLP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000557258749 1074689802 /nfs/dbraw/zinc/68/98/02/1074689802.db2.gz DUTGHMGYPWDGAA-PMACEKPBSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000557258749 1074689801 /nfs/dbraw/zinc/68/98/01/1074689801.db2.gz DUTGHMGYPWDGAA-PMACEKPBSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000557258749 1074689799 /nfs/dbraw/zinc/68/97/99/1074689799.db2.gz DUTGHMGYPWDGAA-PMACEKPBSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000557258749 1074689797 /nfs/dbraw/zinc/68/97/97/1074689797.db2.gz DUTGHMGYPWDGAA-PMACEKPBSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000557258750 1074689783 /nfs/dbraw/zinc/68/97/83/1074689783.db2.gz DUTGHMGYPWDGAA-UXHICEINSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000557258750 1074689781 /nfs/dbraw/zinc/68/97/81/1074689781.db2.gz DUTGHMGYPWDGAA-UXHICEINSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000557258750 1074689780 /nfs/dbraw/zinc/68/97/80/1074689780.db2.gz DUTGHMGYPWDGAA-UXHICEINSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000557258750 1074689779 /nfs/dbraw/zinc/68/97/79/1074689779.db2.gz DUTGHMGYPWDGAA-UXHICEINSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000557258751 1074689776 /nfs/dbraw/zinc/68/97/76/1074689776.db2.gz DUTGHMGYPWDGAA-VQTJNVASSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000557258751 1074689775 /nfs/dbraw/zinc/68/97/75/1074689775.db2.gz DUTGHMGYPWDGAA-VQTJNVASSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000557258751 1074689774 /nfs/dbraw/zinc/68/97/74/1074689774.db2.gz DUTGHMGYPWDGAA-VQTJNVASSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000557258751 1074689773 /nfs/dbraw/zinc/68/97/73/1074689773.db2.gz DUTGHMGYPWDGAA-VQTJNVASSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000557258752 1074690347 /nfs/dbraw/zinc/69/03/47/1074690347.db2.gz DUTGHMGYPWDGAA-WOJBJXKFSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000557258752 1074690343 /nfs/dbraw/zinc/69/03/43/1074690343.db2.gz DUTGHMGYPWDGAA-WOJBJXKFSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000557258752 1074690339 /nfs/dbraw/zinc/69/03/39/1074690339.db2.gz DUTGHMGYPWDGAA-WOJBJXKFSA-N 2 2 445.564 -0.293 20 0 IBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000557258752 1074690334 /nfs/dbraw/zinc/69/03/34/1074690334.db2.gz DUTGHMGYPWDGAA-WOJBJXKFSA-N 2 2 445.564 -0.293 20 0 IBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000557278469 1074692311 /nfs/dbraw/zinc/69/23/11/1074692311.db2.gz YDEIAAIDJUCTDQ-UHFFFAOYSA-N 3 2 445.612 -0.194 20 0 IBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000557278469 1074692303 /nfs/dbraw/zinc/69/23/03/1074692303.db2.gz YDEIAAIDJUCTDQ-UHFFFAOYSA-N 3 2 445.612 -0.194 20 0 IBADLP O=C(CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000557283328 1074693186 /nfs/dbraw/zinc/69/31/86/1074693186.db2.gz XZTKIVZBJSECEZ-GOSISDBHSA-N 2 2 428.537 -0.067 20 0 IBADLP O=C(CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000557283331 1074693166 /nfs/dbraw/zinc/69/31/66/1074693166.db2.gz XZTKIVZBJSECEZ-SFHVURJKSA-N 2 2 428.537 -0.067 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000557413419 1074699578 /nfs/dbraw/zinc/69/95/78/1074699578.db2.gz AAQUCIOLDWNYQV-IBGZPJMESA-N 3 2 438.617 -0.470 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000557413419 1074699574 /nfs/dbraw/zinc/69/95/74/1074699574.db2.gz AAQUCIOLDWNYQV-IBGZPJMESA-N 3 2 438.617 -0.470 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000557413419 1074699569 /nfs/dbraw/zinc/69/95/69/1074699569.db2.gz AAQUCIOLDWNYQV-IBGZPJMESA-N 3 2 438.617 -0.470 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000557413419 1074699567 /nfs/dbraw/zinc/69/95/67/1074699567.db2.gz AAQUCIOLDWNYQV-IBGZPJMESA-N 3 2 438.617 -0.470 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000557413430 1074699169 /nfs/dbraw/zinc/69/91/69/1074699169.db2.gz AAQUCIOLDWNYQV-LJQANCHMSA-N 3 2 438.617 -0.470 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000557413430 1074699166 /nfs/dbraw/zinc/69/91/66/1074699166.db2.gz AAQUCIOLDWNYQV-LJQANCHMSA-N 3 2 438.617 -0.470 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000557413430 1074699160 /nfs/dbraw/zinc/69/91/60/1074699160.db2.gz AAQUCIOLDWNYQV-LJQANCHMSA-N 3 2 438.617 -0.470 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000557413430 1074699153 /nfs/dbraw/zinc/69/91/53/1074699153.db2.gz AAQUCIOLDWNYQV-LJQANCHMSA-N 3 2 438.617 -0.470 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000557414997 1074699868 /nfs/dbraw/zinc/69/98/68/1074699868.db2.gz PLZQBVSIJZADKE-DLBZAZTESA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000557414997 1074699863 /nfs/dbraw/zinc/69/98/63/1074699863.db2.gz PLZQBVSIJZADKE-DLBZAZTESA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000557414997 1074699861 /nfs/dbraw/zinc/69/98/61/1074699861.db2.gz PLZQBVSIJZADKE-DLBZAZTESA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000557414997 1074699854 /nfs/dbraw/zinc/69/98/54/1074699854.db2.gz PLZQBVSIJZADKE-DLBZAZTESA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000557414998 1074699910 /nfs/dbraw/zinc/69/99/10/1074699910.db2.gz PLZQBVSIJZADKE-IAGOWNOFSA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000557414998 1074699906 /nfs/dbraw/zinc/69/99/06/1074699906.db2.gz PLZQBVSIJZADKE-IAGOWNOFSA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000557414998 1074699902 /nfs/dbraw/zinc/69/99/02/1074699902.db2.gz PLZQBVSIJZADKE-IAGOWNOFSA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000557414998 1074699896 /nfs/dbraw/zinc/69/98/96/1074699896.db2.gz PLZQBVSIJZADKE-IAGOWNOFSA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000557414999 1074699270 /nfs/dbraw/zinc/69/92/70/1074699270.db2.gz PLZQBVSIJZADKE-IRXDYDNUSA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000557414999 1074699265 /nfs/dbraw/zinc/69/92/65/1074699265.db2.gz PLZQBVSIJZADKE-IRXDYDNUSA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000557414999 1074699264 /nfs/dbraw/zinc/69/92/64/1074699264.db2.gz PLZQBVSIJZADKE-IRXDYDNUSA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000557414999 1074699258 /nfs/dbraw/zinc/69/92/58/1074699258.db2.gz PLZQBVSIJZADKE-IRXDYDNUSA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000557415000 1074699109 /nfs/dbraw/zinc/69/91/09/1074699109.db2.gz PLZQBVSIJZADKE-SJORKVTESA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000557415000 1074699105 /nfs/dbraw/zinc/69/91/05/1074699105.db2.gz PLZQBVSIJZADKE-SJORKVTESA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000557415000 1074699102 /nfs/dbraw/zinc/69/91/02/1074699102.db2.gz PLZQBVSIJZADKE-SJORKVTESA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000557415000 1074699098 /nfs/dbraw/zinc/69/90/98/1074699098.db2.gz PLZQBVSIJZADKE-SJORKVTESA-N 2 2 439.557 -0.859 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[N@@H+](C)C1CC1 ZINC000557569038 1074704185 /nfs/dbraw/zinc/70/41/85/1074704185.db2.gz AQDARINGKCCFLR-DLBZAZTESA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[N@H+](C)C1CC1 ZINC000557569038 1074704178 /nfs/dbraw/zinc/70/41/78/1074704178.db2.gz AQDARINGKCCFLR-DLBZAZTESA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[N@@H+](C)C1CC1 ZINC000557569038 1074704170 /nfs/dbraw/zinc/70/41/70/1074704170.db2.gz AQDARINGKCCFLR-DLBZAZTESA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[N@H+](C)C1CC1 ZINC000557569038 1074704162 /nfs/dbraw/zinc/70/41/62/1074704162.db2.gz AQDARINGKCCFLR-DLBZAZTESA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[N@@H+](C)C1CC1 ZINC000557569044 1074703930 /nfs/dbraw/zinc/70/39/30/1074703930.db2.gz AQDARINGKCCFLR-IAGOWNOFSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[N@H+](C)C1CC1 ZINC000557569044 1074703920 /nfs/dbraw/zinc/70/39/20/1074703920.db2.gz AQDARINGKCCFLR-IAGOWNOFSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[N@@H+](C)C1CC1 ZINC000557569044 1074703910 /nfs/dbraw/zinc/70/39/10/1074703910.db2.gz AQDARINGKCCFLR-IAGOWNOFSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[N@H+](C)C1CC1 ZINC000557569044 1074703899 /nfs/dbraw/zinc/70/38/99/1074703899.db2.gz AQDARINGKCCFLR-IAGOWNOFSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[N@@H+](C)C1CC1 ZINC000557569045 1074704285 /nfs/dbraw/zinc/70/42/85/1074704285.db2.gz AQDARINGKCCFLR-IRXDYDNUSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[N@H+](C)C1CC1 ZINC000557569045 1074704273 /nfs/dbraw/zinc/70/42/73/1074704273.db2.gz AQDARINGKCCFLR-IRXDYDNUSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[N@@H+](C)C1CC1 ZINC000557569045 1074704263 /nfs/dbraw/zinc/70/42/63/1074704263.db2.gz AQDARINGKCCFLR-IRXDYDNUSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[N@H+](C)C1CC1 ZINC000557569045 1074704251 /nfs/dbraw/zinc/70/42/51/1074704251.db2.gz AQDARINGKCCFLR-IRXDYDNUSA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[N@@H+](C)C1CC1 ZINC000557569046 1074704010 /nfs/dbraw/zinc/70/40/10/1074704010.db2.gz AQDARINGKCCFLR-SJORKVTESA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[N@H+](C)C1CC1 ZINC000557569046 1074703999 /nfs/dbraw/zinc/70/39/99/1074703999.db2.gz AQDARINGKCCFLR-SJORKVTESA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[N@@H+](C)C1CC1 ZINC000557569046 1074703988 /nfs/dbraw/zinc/70/39/88/1074703988.db2.gz AQDARINGKCCFLR-SJORKVTESA-N 2 2 445.568 -0.003 20 0 IBADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[N@H+](C)C1CC1 ZINC000557569046 1074703978 /nfs/dbraw/zinc/70/39/78/1074703978.db2.gz AQDARINGKCCFLR-SJORKVTESA-N 2 2 445.568 -0.003 20 0 IBADLP COCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000557637172 1074706038 /nfs/dbraw/zinc/70/60/38/1074706038.db2.gz GODKBMWSGWYVPA-FQEVSTJZSA-N 2 2 445.564 -0.209 20 0 IBADLP COCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000557637172 1074706023 /nfs/dbraw/zinc/70/60/23/1074706023.db2.gz GODKBMWSGWYVPA-FQEVSTJZSA-N 2 2 445.564 -0.209 20 0 IBADLP COCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000557637173 1074706143 /nfs/dbraw/zinc/70/61/43/1074706143.db2.gz GODKBMWSGWYVPA-HXUWFJFHSA-N 2 2 445.564 -0.209 20 0 IBADLP COCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000557637173 1074706132 /nfs/dbraw/zinc/70/61/32/1074706132.db2.gz GODKBMWSGWYVPA-HXUWFJFHSA-N 2 2 445.564 -0.209 20 0 IBADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NCC[NH+]1CCSCC1 ZINC000557702115 1074707854 /nfs/dbraw/zinc/70/78/54/1074707854.db2.gz OCGAZBAMVAYLQS-UHFFFAOYSA-N 2 2 435.598 -0.340 20 0 IBADLP COC1CC[NH+](C2(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CCCC2)CC1 ZINC000557893379 1074714452 /nfs/dbraw/zinc/71/44/52/1074714452.db2.gz GEVDWJXIRAFDKQ-GOSISDBHSA-N 2 2 440.585 -0.322 20 0 IBADLP COC1CC[NH+](C2(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CCCC2)CC1 ZINC000557893380 1074714431 /nfs/dbraw/zinc/71/44/31/1074714431.db2.gz GEVDWJXIRAFDKQ-SFHVURJKSA-N 2 2 440.585 -0.322 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000557973452 1074716050 /nfs/dbraw/zinc/71/60/50/1074716050.db2.gz OYDMWDYNRNCJNH-IBGZPJMESA-N 2 2 440.585 -0.463 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000557973453 1074715930 /nfs/dbraw/zinc/71/59/30/1074715930.db2.gz OYDMWDYNRNCJNH-LJQANCHMSA-N 2 2 440.585 -0.463 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000558006969 1074716885 /nfs/dbraw/zinc/71/68/85/1074716885.db2.gz SEPPCJQCJHXXIB-MOPGFXCFSA-N 2 2 437.585 -0.195 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000558006973 1074716800 /nfs/dbraw/zinc/71/68/00/1074716800.db2.gz SEPPCJQCJHXXIB-OALUTQOASA-N 2 2 437.585 -0.195 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000558006977 1074716967 /nfs/dbraw/zinc/71/69/67/1074716967.db2.gz SEPPCJQCJHXXIB-RBUKOAKNSA-N 2 2 437.585 -0.195 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000558006980 1074716867 /nfs/dbraw/zinc/71/68/67/1074716867.db2.gz SEPPCJQCJHXXIB-RTBURBONSA-N 2 2 437.585 -0.195 20 0 IBADLP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+]1CCOC ZINC000558017606 1074717478 /nfs/dbraw/zinc/71/74/78/1074717478.db2.gz HIQMIFROGOMSIJ-GOSISDBHSA-N 2 2 425.574 -0.386 20 0 IBADLP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+]1CCOC ZINC000558017606 1074717475 /nfs/dbraw/zinc/71/74/75/1074717475.db2.gz HIQMIFROGOMSIJ-GOSISDBHSA-N 2 2 425.574 -0.386 20 0 IBADLP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+]1CCOC ZINC000558017608 1074717522 /nfs/dbraw/zinc/71/75/22/1074717522.db2.gz HIQMIFROGOMSIJ-SFHVURJKSA-N 2 2 425.574 -0.386 20 0 IBADLP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+]1CCOC ZINC000558017608 1074717518 /nfs/dbraw/zinc/71/75/18/1074717518.db2.gz HIQMIFROGOMSIJ-SFHVURJKSA-N 2 2 425.574 -0.386 20 0 IBADLP CC[NH+](CC)CCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000559365018 1072181879 /nfs/dbraw/zinc/18/18/79/1072181879.db2.gz QDFDBVFMLAXNRK-UHFFFAOYSA-N 2 2 440.570 -0.892 20 0 IBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000559371899 1072182484 /nfs/dbraw/zinc/18/24/84/1072182484.db2.gz RMQMYIDMYKHSGE-UHFFFAOYSA-N 2 2 449.596 -0.096 20 0 IBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000559373581 1072182603 /nfs/dbraw/zinc/18/26/03/1072182603.db2.gz URJKJWKRAHZGKB-UHFFFAOYSA-N 2 2 437.585 -0.194 20 0 IBADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000559389763 1072183873 /nfs/dbraw/zinc/18/38/73/1072183873.db2.gz LRJVIJOPOZEGSU-UHFFFAOYSA-N 2 2 445.568 -0.049 20 0 IBADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000559389763 1072183863 /nfs/dbraw/zinc/18/38/63/1072183863.db2.gz LRJVIJOPOZEGSU-UHFFFAOYSA-N 2 2 445.568 -0.049 20 0 IBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000559398676 1072185115 /nfs/dbraw/zinc/18/51/15/1072185115.db2.gz WRWJOXZGBALJLC-FQEVSTJZSA-N 2 2 445.564 -0.328 20 0 IBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000559398676 1072185114 /nfs/dbraw/zinc/18/51/14/1072185114.db2.gz WRWJOXZGBALJLC-FQEVSTJZSA-N 2 2 445.564 -0.328 20 0 IBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000559398677 1072185137 /nfs/dbraw/zinc/18/51/37/1072185137.db2.gz WRWJOXZGBALJLC-HXUWFJFHSA-N 2 2 445.564 -0.328 20 0 IBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000559398677 1072185133 /nfs/dbraw/zinc/18/51/33/1072185133.db2.gz WRWJOXZGBALJLC-HXUWFJFHSA-N 2 2 445.564 -0.328 20 0 IBADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000559408990 1072185071 /nfs/dbraw/zinc/18/50/71/1072185071.db2.gz HOXVNCPAYXGABT-UHFFFAOYSA-N 2 2 431.581 -0.165 20 0 IBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000559410070 1072185099 /nfs/dbraw/zinc/18/50/99/1072185099.db2.gz PIVGJLRKXUVXTL-UHFFFAOYSA-N 2 2 444.580 -0.799 20 0 IBADLP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000559411047 1072185164 /nfs/dbraw/zinc/18/51/64/1072185164.db2.gz FKRQDPGLNNGGME-UHFFFAOYSA-N 2 2 431.541 -0.438 20 0 IBADLP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000559411047 1072185160 /nfs/dbraw/zinc/18/51/60/1072185160.db2.gz FKRQDPGLNNGGME-UHFFFAOYSA-N 2 2 431.541 -0.438 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000559467604 1072189360 /nfs/dbraw/zinc/18/93/60/1072189360.db2.gz RCMOCLBVNSXESZ-GHTZIAJQSA-N 2 2 429.525 -0.078 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000559467605 1072189257 /nfs/dbraw/zinc/18/92/57/1072189257.db2.gz RCMOCLBVNSXESZ-NQIIRXRSSA-N 2 2 429.525 -0.078 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000559467606 1072189193 /nfs/dbraw/zinc/18/91/93/1072189193.db2.gz RCMOCLBVNSXESZ-RXVVDRJESA-N 2 2 429.525 -0.078 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000559467607 1072189289 /nfs/dbraw/zinc/18/92/89/1072189289.db2.gz RCMOCLBVNSXESZ-WIYYLYMNSA-N 2 2 429.525 -0.078 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[NH+]1CCN(C)CC1 ZINC000559562625 1072196586 /nfs/dbraw/zinc/19/65/86/1072196586.db2.gz ZPEGHRJKQVNYTA-FQEVSTJZSA-N 2 2 445.612 -0.162 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)N1CC[NH+](C)CC1 ZINC000559562625 1072196572 /nfs/dbraw/zinc/19/65/72/1072196572.db2.gz ZPEGHRJKQVNYTA-FQEVSTJZSA-N 2 2 445.612 -0.162 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[NH+]1CCN(C)CC1 ZINC000559562629 1072196668 /nfs/dbraw/zinc/19/66/68/1072196668.db2.gz ZPEGHRJKQVNYTA-HXUWFJFHSA-N 2 2 445.612 -0.162 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)N1CC[NH+](C)CC1 ZINC000559562629 1072196660 /nfs/dbraw/zinc/19/66/60/1072196660.db2.gz ZPEGHRJKQVNYTA-HXUWFJFHSA-N 2 2 445.612 -0.162 20 0 IBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000559576454 1072197125 /nfs/dbraw/zinc/19/71/25/1072197125.db2.gz MOYJKOSXVGGPTJ-IBGZPJMESA-N 2 2 430.553 -0.432 20 0 IBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000559576454 1072197123 /nfs/dbraw/zinc/19/71/23/1072197123.db2.gz MOYJKOSXVGGPTJ-IBGZPJMESA-N 2 2 430.553 -0.432 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000559576455 1072197309 /nfs/dbraw/zinc/19/73/09/1072197309.db2.gz MOYJKOSXVGGPTJ-LJQANCHMSA-N 2 2 430.553 -0.432 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000559576455 1072197298 /nfs/dbraw/zinc/19/72/98/1072197298.db2.gz MOYJKOSXVGGPTJ-LJQANCHMSA-N 2 2 430.553 -0.432 20 0 IBADLP CC(C)C[C@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000559600142 1072199821 /nfs/dbraw/zinc/19/98/21/1072199821.db2.gz XRMJMFBKWVZDGQ-GOSISDBHSA-N 2 2 425.574 -0.482 20 0 IBADLP CC(C)C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000559600144 1072199702 /nfs/dbraw/zinc/19/97/02/1072199702.db2.gz XRMJMFBKWVZDGQ-SFHVURJKSA-N 2 2 425.574 -0.482 20 0 IBADLP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCOCC1 ZINC000559605533 1072200169 /nfs/dbraw/zinc/20/01/69/1072200169.db2.gz GCSIASUPYQHGAS-GOSISDBHSA-N 2 2 433.557 -0.811 20 0 IBADLP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCOCC1 ZINC000559605534 1072200094 /nfs/dbraw/zinc/20/00/94/1072200094.db2.gz GCSIASUPYQHGAS-SFHVURJKSA-N 2 2 433.557 -0.811 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000559608646 1072201938 /nfs/dbraw/zinc/20/19/38/1072201938.db2.gz PXTUNYOOCWXEKU-UHFFFAOYSA-N 2 2 439.582 -0.435 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000559608646 1072201928 /nfs/dbraw/zinc/20/19/28/1072201928.db2.gz PXTUNYOOCWXEKU-UHFFFAOYSA-N 2 2 439.582 -0.435 20 0 IBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000559663456 1072204754 /nfs/dbraw/zinc/20/47/54/1072204754.db2.gz ZRSVJJZDCFLIGB-IBGZPJMESA-N 2 2 431.537 -0.473 20 0 IBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000559663456 1072204742 /nfs/dbraw/zinc/20/47/42/1072204742.db2.gz ZRSVJJZDCFLIGB-IBGZPJMESA-N 2 2 431.537 -0.473 20 0 IBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000559663459 1072204707 /nfs/dbraw/zinc/20/47/07/1072204707.db2.gz ZRSVJJZDCFLIGB-LJQANCHMSA-N 2 2 431.537 -0.473 20 0 IBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000559663459 1072204703 /nfs/dbraw/zinc/20/47/03/1072204703.db2.gz ZRSVJJZDCFLIGB-LJQANCHMSA-N 2 2 431.537 -0.473 20 0 IBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000559673408 1072206444 /nfs/dbraw/zinc/20/64/44/1072206444.db2.gz OMDGSCWWYYBNCU-UHFFFAOYSA-N 2 2 445.612 -0.017 20 0 IBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000559673408 1072206415 /nfs/dbraw/zinc/20/64/15/1072206415.db2.gz OMDGSCWWYYBNCU-UHFFFAOYSA-N 2 2 445.612 -0.017 20 0 IBADLP C[C@H](CNC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C[NH+]1CCOCC1 ZINC000559675433 1072207108 /nfs/dbraw/zinc/20/71/08/1072207108.db2.gz HHSQUMOHZKXWJR-GOSISDBHSA-N 2 2 445.564 -0.225 20 0 IBADLP C[C@@H](CNC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C[NH+]1CCOCC1 ZINC000559675434 1072207153 /nfs/dbraw/zinc/20/71/53/1072207153.db2.gz HHSQUMOHZKXWJR-SFHVURJKSA-N 2 2 445.564 -0.225 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000559680464 1072207632 /nfs/dbraw/zinc/20/76/32/1072207632.db2.gz DWXFFRALFWTAFZ-UHFFFAOYSA-N 2 2 430.553 -0.215 20 0 IBADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000559682464 1072207501 /nfs/dbraw/zinc/20/75/01/1072207501.db2.gz WQBLVEPOOKJTJS-UHFFFAOYSA-N 2 2 446.600 -0.753 20 0 IBADLP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000559682464 1072207490 /nfs/dbraw/zinc/20/74/90/1072207490.db2.gz WQBLVEPOOKJTJS-UHFFFAOYSA-N 2 2 446.600 -0.753 20 0 IBADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000559702279 1072209289 /nfs/dbraw/zinc/20/92/89/1072209289.db2.gz KXLUOEKZIGHMPB-UHFFFAOYSA-N 2 2 431.585 -0.408 20 0 IBADLP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000559702279 1072209280 /nfs/dbraw/zinc/20/92/80/1072209280.db2.gz KXLUOEKZIGHMPB-UHFFFAOYSA-N 2 2 431.585 -0.408 20 0 IBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3c[nH+]c(N(C)C)n3C)cn2)CC1 ZINC000559731657 1072210048 /nfs/dbraw/zinc/21/00/48/1072210048.db2.gz DCROMLXRNIIYRK-UHFFFAOYSA-N 2 2 428.541 -0.044 20 0 IBADLP C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000559771008 1072213629 /nfs/dbraw/zinc/21/36/29/1072213629.db2.gz OPQMQZPUPFOMJU-FQEVSTJZSA-N 2 2 444.580 -0.628 20 0 IBADLP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000559771010 1072213794 /nfs/dbraw/zinc/21/37/94/1072213794.db2.gz OPQMQZPUPFOMJU-HXUWFJFHSA-N 2 2 444.580 -0.628 20 0 IBADLP CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000559787717 1072215641 /nfs/dbraw/zinc/21/56/41/1072215641.db2.gz PXDMUPPYLZDCCL-UHFFFAOYSA-N 2 2 439.582 -0.305 20 0 IBADLP CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000559787717 1072215636 /nfs/dbraw/zinc/21/56/36/1072215636.db2.gz PXDMUPPYLZDCCL-UHFFFAOYSA-N 2 2 439.582 -0.305 20 0 IBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000559846640 1072219644 /nfs/dbraw/zinc/21/96/44/1072219644.db2.gz ZWDPUBDKZLNDBQ-INIZCTEOSA-N 2 2 440.570 -0.894 20 0 IBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000559846641 1072219440 /nfs/dbraw/zinc/21/94/40/1072219440.db2.gz ZWDPUBDKZLNDBQ-MRXNPFEDSA-N 2 2 440.570 -0.894 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC1 ZINC000559848640 1072219754 /nfs/dbraw/zinc/21/97/54/1072219754.db2.gz JEXFJSCAZQJCSP-UHFFFAOYSA-N 2 2 445.568 -0.116 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000559848676 1072219545 /nfs/dbraw/zinc/21/95/45/1072219545.db2.gz CVKBMPDODRKMAG-CALCHBBNSA-N 2 2 425.574 -0.291 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000559848676 1072219544 /nfs/dbraw/zinc/21/95/44/1072219544.db2.gz CVKBMPDODRKMAG-CALCHBBNSA-N 2 2 425.574 -0.291 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000559848677 1072219476 /nfs/dbraw/zinc/21/94/76/1072219476.db2.gz CVKBMPDODRKMAG-IAGOWNOFSA-N 2 2 425.574 -0.291 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000559848678 1072219460 /nfs/dbraw/zinc/21/94/60/1072219460.db2.gz CVKBMPDODRKMAG-IRXDYDNUSA-N 2 2 425.574 -0.291 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000559849660 1072220297 /nfs/dbraw/zinc/22/02/97/1072220297.db2.gz KKUBIRDIZPJDAQ-UHFFFAOYSA-N 2 2 437.585 -0.336 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000559850175 1072220899 /nfs/dbraw/zinc/22/08/99/1072220899.db2.gz XXBKUFQDYRSEKA-GOSISDBHSA-N 2 2 444.580 -0.360 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000559850178 1072220990 /nfs/dbraw/zinc/22/09/90/1072220990.db2.gz XXBKUFQDYRSEKA-SFHVURJKSA-N 2 2 444.580 -0.360 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000559851604 1072220682 /nfs/dbraw/zinc/22/06/82/1072220682.db2.gz MQIOIKVRFMZTTD-KRWDZBQOSA-N 2 2 437.585 -0.195 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000559851604 1072220673 /nfs/dbraw/zinc/22/06/73/1072220673.db2.gz MQIOIKVRFMZTTD-KRWDZBQOSA-N 2 2 437.585 -0.195 20 0 IBADLP C[NH+](C)[C@]1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCSC1 ZINC000559864446 1072223383 /nfs/dbraw/zinc/22/33/83/1072223383.db2.gz BIAGYOICVJATFI-NRFANRHFSA-N 2 2 448.593 -0.210 20 0 IBADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCSC1 ZINC000559864449 1072223415 /nfs/dbraw/zinc/22/34/15/1072223415.db2.gz BIAGYOICVJATFI-OAQYLSRUSA-N 2 2 448.593 -0.210 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000559965000 1072227063 /nfs/dbraw/zinc/22/70/63/1072227063.db2.gz SNQPPKWRPNUFAX-KRWDZBQOSA-N 2 2 428.599 -0.384 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000559965001 1072227014 /nfs/dbraw/zinc/22/70/14/1072227014.db2.gz SNQPPKWRPNUFAX-QGZVFWFLSA-N 2 2 428.599 -0.384 20 0 IBADLP C[C@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)CN1CC[NH+](C)CC1 ZINC000560031568 1072230912 /nfs/dbraw/zinc/23/09/12/1072230912.db2.gz BFZYWEXNUZTDEG-GOSISDBHSA-N 2 2 431.585 -0.551 20 0 IBADLP C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)CN1CC[NH+](C)CC1 ZINC000560031569 1072230780 /nfs/dbraw/zinc/23/07/80/1072230780.db2.gz BFZYWEXNUZTDEG-SFHVURJKSA-N 2 2 431.585 -0.551 20 0 IBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)cn2)CC1 ZINC000560034487 1072230737 /nfs/dbraw/zinc/23/07/37/1072230737.db2.gz RXLNTRWFQAXDFW-IBGZPJMESA-N 2 2 445.612 -0.161 20 0 IBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)cn2)CC1 ZINC000560034488 1072230890 /nfs/dbraw/zinc/23/08/90/1072230890.db2.gz RXLNTRWFQAXDFW-LJQANCHMSA-N 2 2 445.612 -0.161 20 0 IBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000560680012 1072245156 /nfs/dbraw/zinc/24/51/56/1072245156.db2.gz ONAGEZTZLIGJJJ-DLBZAZTESA-N 2 2 433.557 -0.145 20 0 IBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000560680012 1072245146 /nfs/dbraw/zinc/24/51/46/1072245146.db2.gz ONAGEZTZLIGJJJ-DLBZAZTESA-N 2 2 433.557 -0.145 20 0 IBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000560680018 1072244983 /nfs/dbraw/zinc/24/49/83/1072244983.db2.gz ONAGEZTZLIGJJJ-IAGOWNOFSA-N 2 2 433.557 -0.145 20 0 IBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000560680018 1072244972 /nfs/dbraw/zinc/24/49/72/1072244972.db2.gz ONAGEZTZLIGJJJ-IAGOWNOFSA-N 2 2 433.557 -0.145 20 0 IBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000560680021 1072244951 /nfs/dbraw/zinc/24/49/51/1072244951.db2.gz ONAGEZTZLIGJJJ-IRXDYDNUSA-N 2 2 433.557 -0.145 20 0 IBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000560680021 1072244942 /nfs/dbraw/zinc/24/49/42/1072244942.db2.gz ONAGEZTZLIGJJJ-IRXDYDNUSA-N 2 2 433.557 -0.145 20 0 IBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000560680022 1072245121 /nfs/dbraw/zinc/24/51/21/1072245121.db2.gz ONAGEZTZLIGJJJ-SJORKVTESA-N 2 2 433.557 -0.145 20 0 IBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000560680022 1072245113 /nfs/dbraw/zinc/24/51/13/1072245113.db2.gz ONAGEZTZLIGJJJ-SJORKVTESA-N 2 2 433.557 -0.145 20 0 IBADLP Cn1cc(N2CCN(C(=O)C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2=O)cn1 ZINC000560871685 1072249376 /nfs/dbraw/zinc/24/93/76/1072249376.db2.gz IQKPHBKTMYYEEV-UHFFFAOYSA-N 2 2 431.541 -0.730 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)CC2)CC1 ZINC000560873006 1072249389 /nfs/dbraw/zinc/24/93/89/1072249389.db2.gz DDZDYEDHNBGYGS-UHFFFAOYSA-N 3 2 448.612 -0.572 20 0 IBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000560874039 1072249927 /nfs/dbraw/zinc/24/99/27/1072249927.db2.gz GZFXGDBHFYKQJI-FQEVSTJZSA-N 3 2 448.612 -0.574 20 0 IBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000560874039 1072249922 /nfs/dbraw/zinc/24/99/22/1072249922.db2.gz GZFXGDBHFYKQJI-FQEVSTJZSA-N 3 2 448.612 -0.574 20 0 IBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000560874040 1072249955 /nfs/dbraw/zinc/24/99/55/1072249955.db2.gz GZFXGDBHFYKQJI-HXUWFJFHSA-N 3 2 448.612 -0.574 20 0 IBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000560874040 1072249952 /nfs/dbraw/zinc/24/99/52/1072249952.db2.gz GZFXGDBHFYKQJI-HXUWFJFHSA-N 3 2 448.612 -0.574 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)CC2)CC1 ZINC000560874914 1072250033 /nfs/dbraw/zinc/25/00/33/1072250033.db2.gz OCQHCNIIZGGPQQ-QGZVFWFLSA-N 2 2 429.587 -0.799 20 0 IBADLP COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000560876902 1072250588 /nfs/dbraw/zinc/25/05/88/1072250588.db2.gz QBPBQUSCECIHIY-UHFFFAOYSA-N 2 2 437.585 -0.243 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC2)CC1 ZINC000560878227 1072250508 /nfs/dbraw/zinc/25/05/08/1072250508.db2.gz WJNJJDHWNKFOKC-INIZCTEOSA-N 2 2 438.491 -0.205 20 0 IBADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC000560884266 1072251028 /nfs/dbraw/zinc/25/10/28/1072251028.db2.gz ODUURLAMFAOIIA-MOPGFXCFSA-N 2 2 432.569 -0.207 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC000560884274 1072251121 /nfs/dbraw/zinc/25/11/21/1072251121.db2.gz ODUURLAMFAOIIA-OALUTQOASA-N 2 2 432.569 -0.207 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000560884275 1072250994 /nfs/dbraw/zinc/25/09/94/1072250994.db2.gz ODUURLAMFAOIIA-RBUKOAKNSA-N 2 2 432.569 -0.207 20 0 IBADLP C[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC000560884277 1072251075 /nfs/dbraw/zinc/25/10/75/1072251075.db2.gz ODUURLAMFAOIIA-RTBURBONSA-N 2 2 432.569 -0.207 20 0 IBADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000560909810 1072253982 /nfs/dbraw/zinc/25/39/82/1072253982.db2.gz GBFKINZNSQRJAU-FQEVSTJZSA-N 2 2 444.580 -0.109 20 0 IBADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000560909810 1072253974 /nfs/dbraw/zinc/25/39/74/1072253974.db2.gz GBFKINZNSQRJAU-FQEVSTJZSA-N 3 2 444.580 -0.109 20 0 IBADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000560909811 1072253940 /nfs/dbraw/zinc/25/39/40/1072253940.db2.gz GBFKINZNSQRJAU-HXUWFJFHSA-N 2 2 444.580 -0.109 20 0 IBADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000560909811 1072253929 /nfs/dbraw/zinc/25/39/29/1072253929.db2.gz GBFKINZNSQRJAU-HXUWFJFHSA-N 3 2 444.580 -0.109 20 0 IBADLP CN(C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000560920543 1072255709 /nfs/dbraw/zinc/25/57/09/1072255709.db2.gz SMLFRILMZLFOHA-GOSISDBHSA-N 2 2 428.537 -0.068 20 0 IBADLP CN(C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000560920543 1072255704 /nfs/dbraw/zinc/25/57/04/1072255704.db2.gz SMLFRILMZLFOHA-GOSISDBHSA-N 2 2 428.537 -0.068 20 0 IBADLP CN(C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000560920545 1072255775 /nfs/dbraw/zinc/25/57/75/1072255775.db2.gz SMLFRILMZLFOHA-SFHVURJKSA-N 2 2 428.537 -0.068 20 0 IBADLP CN(C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560920545 1072255770 /nfs/dbraw/zinc/25/57/70/1072255770.db2.gz SMLFRILMZLFOHA-SFHVURJKSA-N 2 2 428.537 -0.068 20 0 IBADLP CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000560980672 1072258343 /nfs/dbraw/zinc/25/83/43/1072258343.db2.gz IGODOJNRMWAERW-UHFFFAOYSA-N 2 2 432.569 -0.317 20 0 IBADLP CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000560980672 1072258337 /nfs/dbraw/zinc/25/83/37/1072258337.db2.gz IGODOJNRMWAERW-UHFFFAOYSA-N 2 2 432.569 -0.317 20 0 IBADLP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000561013537 1072261417 /nfs/dbraw/zinc/26/14/17/1072261417.db2.gz OYKCRBLMDJCHPU-KRWDZBQOSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000561013537 1072261410 /nfs/dbraw/zinc/26/14/10/1072261410.db2.gz OYKCRBLMDJCHPU-KRWDZBQOSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000561013537 1072261404 /nfs/dbraw/zinc/26/14/04/1072261404.db2.gz OYKCRBLMDJCHPU-KRWDZBQOSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000561013537 1072261396 /nfs/dbraw/zinc/26/13/96/1072261396.db2.gz OYKCRBLMDJCHPU-KRWDZBQOSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000561013544 1072261609 /nfs/dbraw/zinc/26/16/09/1072261609.db2.gz OYKCRBLMDJCHPU-QGZVFWFLSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000561013544 1072261601 /nfs/dbraw/zinc/26/16/01/1072261601.db2.gz OYKCRBLMDJCHPU-QGZVFWFLSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000561013544 1072261594 /nfs/dbraw/zinc/26/15/94/1072261594.db2.gz OYKCRBLMDJCHPU-QGZVFWFLSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000561013544 1072261588 /nfs/dbraw/zinc/26/15/88/1072261588.db2.gz OYKCRBLMDJCHPU-QGZVFWFLSA-N 2 2 445.568 -0.001 20 0 IBADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000561014747 1072261478 /nfs/dbraw/zinc/26/14/78/1072261478.db2.gz MACLODCHRABDBW-KRWDZBQOSA-N 2 2 433.557 -0.192 20 0 IBADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000561014747 1072261473 /nfs/dbraw/zinc/26/14/73/1072261473.db2.gz MACLODCHRABDBW-KRWDZBQOSA-N 2 2 433.557 -0.192 20 0 IBADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000561014747 1072261468 /nfs/dbraw/zinc/26/14/68/1072261468.db2.gz MACLODCHRABDBW-KRWDZBQOSA-N 2 2 433.557 -0.192 20 0 IBADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000561014747 1072261463 /nfs/dbraw/zinc/26/14/63/1072261463.db2.gz MACLODCHRABDBW-KRWDZBQOSA-N 2 2 433.557 -0.192 20 0 IBADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000561014755 1072261519 /nfs/dbraw/zinc/26/15/19/1072261519.db2.gz MACLODCHRABDBW-QGZVFWFLSA-N 2 2 433.557 -0.192 20 0 IBADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000561014755 1072261516 /nfs/dbraw/zinc/26/15/16/1072261516.db2.gz MACLODCHRABDBW-QGZVFWFLSA-N 2 2 433.557 -0.192 20 0 IBADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000561014755 1072261515 /nfs/dbraw/zinc/26/15/15/1072261515.db2.gz MACLODCHRABDBW-QGZVFWFLSA-N 2 2 433.557 -0.192 20 0 IBADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000561014755 1072261510 /nfs/dbraw/zinc/26/15/10/1072261510.db2.gz MACLODCHRABDBW-QGZVFWFLSA-N 2 2 433.557 -0.192 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCN(C)CC1 ZINC000561079367 1072264498 /nfs/dbraw/zinc/26/44/98/1072264498.db2.gz IVIRADYRSOGNLT-MOPGFXCFSA-N 2 2 436.601 -0.860 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCN(C)CC1 ZINC000561079367 1072264492 /nfs/dbraw/zinc/26/44/92/1072264492.db2.gz IVIRADYRSOGNLT-MOPGFXCFSA-N 2 2 436.601 -0.860 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCN(C)CC1 ZINC000561079372 1072264664 /nfs/dbraw/zinc/26/46/64/1072264664.db2.gz IVIRADYRSOGNLT-OALUTQOASA-N 2 2 436.601 -0.860 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCN(C)CC1 ZINC000561079372 1072264662 /nfs/dbraw/zinc/26/46/62/1072264662.db2.gz IVIRADYRSOGNLT-OALUTQOASA-N 2 2 436.601 -0.860 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCN(C)CC1 ZINC000561079374 1072264534 /nfs/dbraw/zinc/26/45/34/1072264534.db2.gz IVIRADYRSOGNLT-RBUKOAKNSA-N 2 2 436.601 -0.860 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCN(C)CC1 ZINC000561079374 1072264529 /nfs/dbraw/zinc/26/45/29/1072264529.db2.gz IVIRADYRSOGNLT-RBUKOAKNSA-N 2 2 436.601 -0.860 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCN(C)CC1 ZINC000561079375 1072264620 /nfs/dbraw/zinc/26/46/20/1072264620.db2.gz IVIRADYRSOGNLT-RTBURBONSA-N 2 2 436.601 -0.860 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCN(C)CC1 ZINC000561079375 1072264616 /nfs/dbraw/zinc/26/46/16/1072264616.db2.gz IVIRADYRSOGNLT-RTBURBONSA-N 2 2 436.601 -0.860 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000561123473 1072265829 /nfs/dbraw/zinc/26/58/29/1072265829.db2.gz ZKXJRFHZUGPUAM-GOSISDBHSA-N 2 2 425.574 -0.384 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000561123473 1072265819 /nfs/dbraw/zinc/26/58/19/1072265819.db2.gz ZKXJRFHZUGPUAM-GOSISDBHSA-N 2 2 425.574 -0.384 20 0 IBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH+]2CCOC)CC1 ZINC000561123473 1072265816 /nfs/dbraw/zinc/26/58/16/1072265816.db2.gz ZKXJRFHZUGPUAM-GOSISDBHSA-N 2 2 425.574 -0.384 20 0 IBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH+]2CCOC)CC1 ZINC000561123473 1072265812 /nfs/dbraw/zinc/26/58/12/1072265812.db2.gz ZKXJRFHZUGPUAM-GOSISDBHSA-N 2 2 425.574 -0.384 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000561123474 1072265903 /nfs/dbraw/zinc/26/59/03/1072265903.db2.gz ZKXJRFHZUGPUAM-SFHVURJKSA-N 2 2 425.574 -0.384 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000561123474 1072265899 /nfs/dbraw/zinc/26/58/99/1072265899.db2.gz ZKXJRFHZUGPUAM-SFHVURJKSA-N 2 2 425.574 -0.384 20 0 IBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)CC1 ZINC000561123474 1072265892 /nfs/dbraw/zinc/26/58/92/1072265892.db2.gz ZKXJRFHZUGPUAM-SFHVURJKSA-N 2 2 425.574 -0.384 20 0 IBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)CC1 ZINC000561123474 1072265888 /nfs/dbraw/zinc/26/58/88/1072265888.db2.gz ZKXJRFHZUGPUAM-SFHVURJKSA-N 2 2 425.574 -0.384 20 0 IBADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000561172954 1072268804 /nfs/dbraw/zinc/26/88/04/1072268804.db2.gz SAUKFTJDRHPKNB-GOSISDBHSA-N 2 2 445.568 -0.048 20 0 IBADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000561172954 1072268797 /nfs/dbraw/zinc/26/87/97/1072268797.db2.gz SAUKFTJDRHPKNB-GOSISDBHSA-N 2 2 445.568 -0.048 20 0 IBADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000561172954 1072268789 /nfs/dbraw/zinc/26/87/89/1072268789.db2.gz SAUKFTJDRHPKNB-GOSISDBHSA-N 2 2 445.568 -0.048 20 0 IBADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000561172954 1072268780 /nfs/dbraw/zinc/26/87/80/1072268780.db2.gz SAUKFTJDRHPKNB-GOSISDBHSA-N 2 2 445.568 -0.048 20 0 IBADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000561172957 1072268507 /nfs/dbraw/zinc/26/85/07/1072268507.db2.gz SAUKFTJDRHPKNB-SFHVURJKSA-N 2 2 445.568 -0.048 20 0 IBADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000561172957 1072268498 /nfs/dbraw/zinc/26/84/98/1072268498.db2.gz SAUKFTJDRHPKNB-SFHVURJKSA-N 2 2 445.568 -0.048 20 0 IBADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000561172957 1072268488 /nfs/dbraw/zinc/26/84/88/1072268488.db2.gz SAUKFTJDRHPKNB-SFHVURJKSA-N 2 2 445.568 -0.048 20 0 IBADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000561172957 1072268477 /nfs/dbraw/zinc/26/84/77/1072268477.db2.gz SAUKFTJDRHPKNB-SFHVURJKSA-N 2 2 445.568 -0.048 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[N@@H+](C)C1CC1 ZINC000561179102 1072268579 /nfs/dbraw/zinc/26/85/79/1072268579.db2.gz ZTPUGWOVFUCJKZ-INIZCTEOSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[N@H+](C)C1CC1 ZINC000561179102 1072268568 /nfs/dbraw/zinc/26/85/68/1072268568.db2.gz ZTPUGWOVFUCJKZ-INIZCTEOSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[N@@H+](C)C1CC1 ZINC000561179102 1072268558 /nfs/dbraw/zinc/26/85/58/1072268558.db2.gz ZTPUGWOVFUCJKZ-INIZCTEOSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[N@H+](C)C1CC1 ZINC000561179102 1072268550 /nfs/dbraw/zinc/26/85/50/1072268550.db2.gz ZTPUGWOVFUCJKZ-INIZCTEOSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[N@@H+](C)C1CC1 ZINC000561179106 1072268910 /nfs/dbraw/zinc/26/89/10/1072268910.db2.gz ZTPUGWOVFUCJKZ-MRXNPFEDSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[N@H+](C)C1CC1 ZINC000561179106 1072268903 /nfs/dbraw/zinc/26/89/03/1072268903.db2.gz ZTPUGWOVFUCJKZ-MRXNPFEDSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[N@@H+](C)C1CC1 ZINC000561179106 1072268896 /nfs/dbraw/zinc/26/88/96/1072268896.db2.gz ZTPUGWOVFUCJKZ-MRXNPFEDSA-N 2 2 431.541 -0.439 20 0 IBADLP C[C@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[N@H+](C)C1CC1 ZINC000561179106 1072268889 /nfs/dbraw/zinc/26/88/89/1072268889.db2.gz ZTPUGWOVFUCJKZ-MRXNPFEDSA-N 2 2 431.541 -0.439 20 0 IBADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000561398600 1072277432 /nfs/dbraw/zinc/27/74/32/1072277432.db2.gz ZIGKNXHMFFGECZ-QGZVFWFLSA-N 2 2 433.557 -0.192 20 0 IBADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000561398600 1072277425 /nfs/dbraw/zinc/27/74/25/1072277425.db2.gz ZIGKNXHMFFGECZ-QGZVFWFLSA-N 2 2 433.557 -0.192 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CCOC)C3)CC2)CC1 ZINC000561440728 1072279180 /nfs/dbraw/zinc/27/91/80/1072279180.db2.gz MEBZYMYIZWKYLP-IBGZPJMESA-N 2 2 437.585 -0.384 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CCOC)C3)CC2)CC1 ZINC000561440728 1072279168 /nfs/dbraw/zinc/27/91/68/1072279168.db2.gz MEBZYMYIZWKYLP-IBGZPJMESA-N 2 2 437.585 -0.384 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)CC2)CC1 ZINC000561440729 1072279132 /nfs/dbraw/zinc/27/91/32/1072279132.db2.gz MEBZYMYIZWKYLP-LJQANCHMSA-N 2 2 437.585 -0.384 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CCOC)C3)CC2)CC1 ZINC000561440729 1072279122 /nfs/dbraw/zinc/27/91/22/1072279122.db2.gz MEBZYMYIZWKYLP-LJQANCHMSA-N 2 2 437.585 -0.384 20 0 IBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000561760302 1072292778 /nfs/dbraw/zinc/29/27/78/1072292778.db2.gz KRLCXRAIFAUFKD-UHFFFAOYSA-N 2 2 425.574 -0.528 20 0 IBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000562026036 1072304156 /nfs/dbraw/zinc/30/41/56/1072304156.db2.gz AWLFZJSARPNCCV-CEXWTWQISA-N 2 2 435.569 -0.489 20 0 IBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000562026036 1072304151 /nfs/dbraw/zinc/30/41/51/1072304151.db2.gz AWLFZJSARPNCCV-CEXWTWQISA-N 2 2 435.569 -0.489 20 0 IBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000562026037 1072304243 /nfs/dbraw/zinc/30/42/43/1072304243.db2.gz AWLFZJSARPNCCV-GBESFXJTSA-N 2 2 435.569 -0.489 20 0 IBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000562026037 1072304237 /nfs/dbraw/zinc/30/42/37/1072304237.db2.gz AWLFZJSARPNCCV-GBESFXJTSA-N 2 2 435.569 -0.489 20 0 IBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000562026038 1072304220 /nfs/dbraw/zinc/30/42/20/1072304220.db2.gz AWLFZJSARPNCCV-GUDVDZBRSA-N 2 2 435.569 -0.489 20 0 IBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000562026038 1072304217 /nfs/dbraw/zinc/30/42/17/1072304217.db2.gz AWLFZJSARPNCCV-GUDVDZBRSA-N 2 2 435.569 -0.489 20 0 IBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000562026039 1072304199 /nfs/dbraw/zinc/30/41/99/1072304199.db2.gz AWLFZJSARPNCCV-IPMKNSEASA-N 2 2 435.569 -0.489 20 0 IBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000562026039 1072304196 /nfs/dbraw/zinc/30/41/96/1072304196.db2.gz AWLFZJSARPNCCV-IPMKNSEASA-N 2 2 435.569 -0.489 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000562031323 1072304170 /nfs/dbraw/zinc/30/41/70/1072304170.db2.gz VNZQMTSZTODLJB-MOPGFXCFSA-N 2 2 437.585 -0.241 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000562031324 1072304293 /nfs/dbraw/zinc/30/42/93/1072304293.db2.gz VNZQMTSZTODLJB-OALUTQOASA-N 2 2 437.585 -0.241 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000562031325 1072304306 /nfs/dbraw/zinc/30/43/06/1072304306.db2.gz VNZQMTSZTODLJB-RBUKOAKNSA-N 2 2 437.585 -0.241 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000562031326 1072304893 /nfs/dbraw/zinc/30/48/93/1072304893.db2.gz VNZQMTSZTODLJB-RTBURBONSA-N 2 2 437.585 -0.241 20 0 IBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCCN3CC[NH+](CCO)CC3)CC2)c1 ZINC000562157169 1072309786 /nfs/dbraw/zinc/30/97/86/1072309786.db2.gz ONDGDVAEJOEYTJ-UHFFFAOYSA-N 2 2 448.568 -0.755 20 0 IBADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562163156 1072311013 /nfs/dbraw/zinc/31/10/13/1072311013.db2.gz ASSVNWWAIALFNT-GOSISDBHSA-N 2 2 445.568 -0.048 20 0 IBADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562163156 1072311007 /nfs/dbraw/zinc/31/10/07/1072311007.db2.gz ASSVNWWAIALFNT-GOSISDBHSA-N 2 2 445.568 -0.048 20 0 IBADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562163157 1072311583 /nfs/dbraw/zinc/31/15/83/1072311583.db2.gz ASSVNWWAIALFNT-SFHVURJKSA-N 2 2 445.568 -0.048 20 0 IBADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562163157 1072311579 /nfs/dbraw/zinc/31/15/79/1072311579.db2.gz ASSVNWWAIALFNT-SFHVURJKSA-N 2 2 445.568 -0.048 20 0 IBADLP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562164163 1072311511 /nfs/dbraw/zinc/31/15/11/1072311511.db2.gz JPCBJOBAZYQCIE-KRWDZBQOSA-N 2 2 433.557 -0.192 20 0 IBADLP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562164163 1072311507 /nfs/dbraw/zinc/31/15/07/1072311507.db2.gz JPCBJOBAZYQCIE-KRWDZBQOSA-N 2 2 433.557 -0.192 20 0 IBADLP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562164164 1072311562 /nfs/dbraw/zinc/31/15/62/1072311562.db2.gz JPCBJOBAZYQCIE-QGZVFWFLSA-N 2 2 433.557 -0.192 20 0 IBADLP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000562164164 1072311556 /nfs/dbraw/zinc/31/15/56/1072311556.db2.gz JPCBJOBAZYQCIE-QGZVFWFLSA-N 2 2 433.557 -0.192 20 0 IBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000562442166 1072314239 /nfs/dbraw/zinc/31/42/39/1072314239.db2.gz KVKRFWYBCHBLPZ-KRWDZBQOSA-N 2 2 428.555 -0.076 20 0 IBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000562442166 1072314232 /nfs/dbraw/zinc/31/42/32/1072314232.db2.gz KVKRFWYBCHBLPZ-KRWDZBQOSA-N 2 2 428.555 -0.076 20 0 IBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000562442167 1072314141 /nfs/dbraw/zinc/31/41/41/1072314141.db2.gz KVKRFWYBCHBLPZ-QGZVFWFLSA-N 2 2 428.555 -0.076 20 0 IBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000562442167 1072314136 /nfs/dbraw/zinc/31/41/36/1072314136.db2.gz KVKRFWYBCHBLPZ-QGZVFWFLSA-N 2 2 428.555 -0.076 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000562773510 1072318833 /nfs/dbraw/zinc/31/88/33/1072318833.db2.gz WMYFBTIHVNZREK-GOSISDBHSA-N 2 2 425.574 -0.434 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000562773510 1072318823 /nfs/dbraw/zinc/31/88/23/1072318823.db2.gz WMYFBTIHVNZREK-GOSISDBHSA-N 2 2 425.574 -0.434 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000562773514 1072318878 /nfs/dbraw/zinc/31/88/78/1072318878.db2.gz WMYFBTIHVNZREK-SFHVURJKSA-N 2 2 425.574 -0.434 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000562773514 1072318868 /nfs/dbraw/zinc/31/88/68/1072318868.db2.gz WMYFBTIHVNZREK-SFHVURJKSA-N 2 2 425.574 -0.434 20 0 IBADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000563513080 1072329994 /nfs/dbraw/zinc/32/99/94/1072329994.db2.gz RVCIVRLARZXWCT-MOPGFXCFSA-N 2 2 437.585 -0.386 20 0 IBADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000563513080 1072329988 /nfs/dbraw/zinc/32/99/88/1072329988.db2.gz RVCIVRLARZXWCT-MOPGFXCFSA-N 2 2 437.585 -0.386 20 0 IBADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000563513081 1072330108 /nfs/dbraw/zinc/33/01/08/1072330108.db2.gz RVCIVRLARZXWCT-OALUTQOASA-N 2 2 437.585 -0.386 20 0 IBADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000563513081 1072330103 /nfs/dbraw/zinc/33/01/03/1072330103.db2.gz RVCIVRLARZXWCT-OALUTQOASA-N 2 2 437.585 -0.386 20 0 IBADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000563513082 1072330052 /nfs/dbraw/zinc/33/00/52/1072330052.db2.gz RVCIVRLARZXWCT-RBUKOAKNSA-N 2 2 437.585 -0.386 20 0 IBADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000563513082 1072330049 /nfs/dbraw/zinc/33/00/49/1072330049.db2.gz RVCIVRLARZXWCT-RBUKOAKNSA-N 2 2 437.585 -0.386 20 0 IBADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000563513083 1072329934 /nfs/dbraw/zinc/32/99/34/1072329934.db2.gz RVCIVRLARZXWCT-RTBURBONSA-N 2 2 437.585 -0.386 20 0 IBADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000563513083 1072329927 /nfs/dbraw/zinc/32/99/27/1072329927.db2.gz RVCIVRLARZXWCT-RTBURBONSA-N 2 2 437.585 -0.386 20 0 IBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000563553251 1072330594 /nfs/dbraw/zinc/33/05/94/1072330594.db2.gz RBPKFQZCJSGUOA-IBGZPJMESA-N 2 2 445.568 -0.714 20 0 IBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000563553252 1072330709 /nfs/dbraw/zinc/33/07/09/1072330709.db2.gz RBPKFQZCJSGUOA-LJQANCHMSA-N 2 2 445.568 -0.714 20 0 IBADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000563557855 1072330583 /nfs/dbraw/zinc/33/05/83/1072330583.db2.gz VQEQYUUPZQOFLU-GOSISDBHSA-N 2 2 430.553 -0.370 20 0 IBADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000563557856 1072330517 /nfs/dbraw/zinc/33/05/17/1072330517.db2.gz VQEQYUUPZQOFLU-SFHVURJKSA-N 2 2 430.553 -0.370 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000564180215 1072345287 /nfs/dbraw/zinc/34/52/87/1072345287.db2.gz NSUPCJUKHYGUSW-LEWJYISDSA-N 2 2 448.564 -0.455 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000564180215 1072345281 /nfs/dbraw/zinc/34/52/81/1072345281.db2.gz NSUPCJUKHYGUSW-LEWJYISDSA-N 2 2 448.564 -0.455 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000564180217 1072345176 /nfs/dbraw/zinc/34/51/76/1072345176.db2.gz NSUPCJUKHYGUSW-NHCUHLMSSA-N 2 2 448.564 -0.455 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000564180217 1072345164 /nfs/dbraw/zinc/34/51/64/1072345164.db2.gz NSUPCJUKHYGUSW-NHCUHLMSSA-N 2 2 448.564 -0.455 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000564180218 1072345024 /nfs/dbraw/zinc/34/50/24/1072345024.db2.gz NSUPCJUKHYGUSW-RTWAWAEBSA-N 2 2 448.564 -0.455 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000564180218 1072345014 /nfs/dbraw/zinc/34/50/14/1072345014.db2.gz NSUPCJUKHYGUSW-RTWAWAEBSA-N 2 2 448.564 -0.455 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000564180220 1072345109 /nfs/dbraw/zinc/34/51/09/1072345109.db2.gz NSUPCJUKHYGUSW-SFTDATJTSA-N 2 2 448.564 -0.455 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000564180220 1072345101 /nfs/dbraw/zinc/34/51/01/1072345101.db2.gz NSUPCJUKHYGUSW-SFTDATJTSA-N 2 2 448.564 -0.455 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H](C)C1 ZINC000565268214 1072359675 /nfs/dbraw/zinc/35/96/75/1072359675.db2.gz LPAOVHSLGFJLNQ-BHIYHBOVSA-N 2 2 438.569 -0.034 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H](C)C1 ZINC000565268214 1072359668 /nfs/dbraw/zinc/35/96/68/1072359668.db2.gz LPAOVHSLGFJLNQ-BHIYHBOVSA-N 2 2 438.569 -0.034 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H](C)C1 ZINC000565268215 1072359642 /nfs/dbraw/zinc/35/96/42/1072359642.db2.gz LPAOVHSLGFJLNQ-QRQLOZEOSA-N 2 2 438.569 -0.034 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H](C)C1 ZINC000565268215 1072359632 /nfs/dbraw/zinc/35/96/32/1072359632.db2.gz LPAOVHSLGFJLNQ-QRQLOZEOSA-N 2 2 438.569 -0.034 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H](C)C1 ZINC000565268216 1072359721 /nfs/dbraw/zinc/35/97/21/1072359721.db2.gz LPAOVHSLGFJLNQ-QXAKKESOSA-N 2 2 438.569 -0.034 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H](C)C1 ZINC000565268216 1072359708 /nfs/dbraw/zinc/35/97/08/1072359708.db2.gz LPAOVHSLGFJLNQ-QXAKKESOSA-N 2 2 438.569 -0.034 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H](C)C1 ZINC000565268217 1072359591 /nfs/dbraw/zinc/35/95/91/1072359591.db2.gz LPAOVHSLGFJLNQ-UHOSZYNNSA-N 2 2 438.569 -0.034 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H](C)C1 ZINC000565268217 1072359584 /nfs/dbraw/zinc/35/95/84/1072359584.db2.gz LPAOVHSLGFJLNQ-UHOSZYNNSA-N 2 2 438.569 -0.034 20 0 IBADLP O=C(CCNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000565486673 1072362444 /nfs/dbraw/zinc/36/24/44/1072362444.db2.gz OKNGDHHWAROPDB-UHFFFAOYSA-N 2 2 428.537 -0.021 20 0 IBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000565552893 1072363563 /nfs/dbraw/zinc/36/35/63/1072363563.db2.gz CMJQOUBQEUUTQY-MSOLQXFVSA-N 2 2 432.569 -0.082 20 0 IBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000565552894 1072363444 /nfs/dbraw/zinc/36/34/44/1072363444.db2.gz CMJQOUBQEUUTQY-QZTJIDSGSA-N 2 2 432.569 -0.082 20 0 IBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000565552895 1072363425 /nfs/dbraw/zinc/36/34/25/1072363425.db2.gz CMJQOUBQEUUTQY-ROUUACIJSA-N 2 2 432.569 -0.082 20 0 IBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000565552896 1072363630 /nfs/dbraw/zinc/36/36/30/1072363630.db2.gz CMJQOUBQEUUTQY-ZWKOTPCHSA-N 2 2 432.569 -0.082 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)CC2)CC1 ZINC000565849810 1072369038 /nfs/dbraw/zinc/36/90/38/1072369038.db2.gz LXMNFLXVGNNRBP-HNNXBMFYSA-N 2 2 433.475 -0.059 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)CC2)CC1 ZINC000565849811 1072369128 /nfs/dbraw/zinc/36/91/28/1072369128.db2.gz LXMNFLXVGNNRBP-OAHLLOKOSA-N 2 2 433.475 -0.059 20 0 IBADLP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000565905901 1072369818 /nfs/dbraw/zinc/36/98/18/1072369818.db2.gz PVTZIOUWOCXMSE-UHFFFAOYSA-N 2 2 445.612 -0.066 20 0 IBADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000566393273 1072373454 /nfs/dbraw/zinc/37/34/54/1072373454.db2.gz ZPCMFYDZWGXPNV-UHFFFAOYSA-N 2 2 445.568 -0.046 20 0 IBADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000566393273 1072373442 /nfs/dbraw/zinc/37/34/42/1072373442.db2.gz ZPCMFYDZWGXPNV-UHFFFAOYSA-N 2 2 445.568 -0.046 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000566397553 1072374105 /nfs/dbraw/zinc/37/41/05/1072374105.db2.gz DAVWSJFDWYHJQD-KRWDZBQOSA-N 2 2 425.574 -0.386 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000566397553 1072374099 /nfs/dbraw/zinc/37/40/99/1072374099.db2.gz DAVWSJFDWYHJQD-KRWDZBQOSA-N 2 2 425.574 -0.386 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000566397553 1072374092 /nfs/dbraw/zinc/37/40/92/1072374092.db2.gz DAVWSJFDWYHJQD-KRWDZBQOSA-N 2 2 425.574 -0.386 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000566397553 1072374087 /nfs/dbraw/zinc/37/40/87/1072374087.db2.gz DAVWSJFDWYHJQD-KRWDZBQOSA-N 2 2 425.574 -0.386 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000566397559 1072374172 /nfs/dbraw/zinc/37/41/72/1072374172.db2.gz DAVWSJFDWYHJQD-QGZVFWFLSA-N 2 2 425.574 -0.386 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000566397559 1072374167 /nfs/dbraw/zinc/37/41/67/1072374167.db2.gz DAVWSJFDWYHJQD-QGZVFWFLSA-N 2 2 425.574 -0.386 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000566397559 1072374160 /nfs/dbraw/zinc/37/41/60/1072374160.db2.gz DAVWSJFDWYHJQD-QGZVFWFLSA-N 2 2 425.574 -0.386 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000566397559 1072374153 /nfs/dbraw/zinc/37/41/53/1072374153.db2.gz DAVWSJFDWYHJQD-QGZVFWFLSA-N 2 2 425.574 -0.386 20 0 IBADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000566750631 1072378677 /nfs/dbraw/zinc/37/86/77/1072378677.db2.gz KIONSKQYQKUFCC-KDURUIRLSA-N 2 2 440.585 -0.058 20 0 IBADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000566750631 1072378670 /nfs/dbraw/zinc/37/86/70/1072378670.db2.gz KIONSKQYQKUFCC-KDURUIRLSA-N 2 2 440.585 -0.058 20 0 IBADLP C[C@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000566750632 1072378390 /nfs/dbraw/zinc/37/83/90/1072378390.db2.gz KIONSKQYQKUFCC-OALUTQOASA-N 2 2 440.585 -0.058 20 0 IBADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000566750633 1072378432 /nfs/dbraw/zinc/37/84/32/1072378432.db2.gz KIONSKQYQKUFCC-RTBURBONSA-N 2 2 440.585 -0.058 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000567413357 1072391904 /nfs/dbraw/zinc/39/19/04/1072391904.db2.gz IAXAOWOFYMMPAO-GOSISDBHSA-N 2 2 437.585 -0.336 20 0 IBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000567474067 1072393225 /nfs/dbraw/zinc/39/32/25/1072393225.db2.gz AHZNPHIZGWHMLH-IBGZPJMESA-N 2 2 447.584 -0.422 20 0 IBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000567474067 1072393220 /nfs/dbraw/zinc/39/32/20/1072393220.db2.gz AHZNPHIZGWHMLH-IBGZPJMESA-N 2 2 447.584 -0.422 20 0 IBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000567474068 1072392935 /nfs/dbraw/zinc/39/29/35/1072392935.db2.gz AHZNPHIZGWHMLH-LJQANCHMSA-N 2 2 447.584 -0.422 20 0 IBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000567474068 1072392918 /nfs/dbraw/zinc/39/29/18/1072392918.db2.gz AHZNPHIZGWHMLH-LJQANCHMSA-N 2 2 447.584 -0.422 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000567476179 1072393015 /nfs/dbraw/zinc/39/30/15/1072393015.db2.gz CREBUKYYEOZPHY-PMACEKPBSA-N 2 2 434.537 -0.979 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000567476179 1072393003 /nfs/dbraw/zinc/39/30/03/1072393003.db2.gz CREBUKYYEOZPHY-PMACEKPBSA-N 2 2 434.537 -0.979 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000567476180 1072393104 /nfs/dbraw/zinc/39/31/04/1072393104.db2.gz CREBUKYYEOZPHY-UXHICEINSA-N 2 2 434.537 -0.979 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000567476180 1072393098 /nfs/dbraw/zinc/39/30/98/1072393098.db2.gz CREBUKYYEOZPHY-UXHICEINSA-N 2 2 434.537 -0.979 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000567476181 1072393190 /nfs/dbraw/zinc/39/31/90/1072393190.db2.gz CREBUKYYEOZPHY-VQTJNVASSA-N 2 2 434.537 -0.979 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000567476181 1072393185 /nfs/dbraw/zinc/39/31/85/1072393185.db2.gz CREBUKYYEOZPHY-VQTJNVASSA-N 2 2 434.537 -0.979 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000567476182 1072393283 /nfs/dbraw/zinc/39/32/83/1072393283.db2.gz CREBUKYYEOZPHY-WOJBJXKFSA-N 2 2 434.537 -0.979 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000567476182 1072393280 /nfs/dbraw/zinc/39/32/80/1072393280.db2.gz CREBUKYYEOZPHY-WOJBJXKFSA-N 2 2 434.537 -0.979 20 0 IBADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000568418400 1072405708 /nfs/dbraw/zinc/40/57/08/1072405708.db2.gz GCAXRXGSOHJZNG-UHFFFAOYSA-N 2 2 425.574 -0.432 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1CC(C)(C)O ZINC000568419882 1072405729 /nfs/dbraw/zinc/40/57/29/1072405729.db2.gz YNJNQZXBNCUOQQ-GOSISDBHSA-N 2 2 447.584 -0.592 20 0 IBADLP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000568419882 1072405727 /nfs/dbraw/zinc/40/57/27/1072405727.db2.gz YNJNQZXBNCUOQQ-GOSISDBHSA-N 2 2 447.584 -0.592 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1CC(C)(C)O ZINC000568419887 1072405671 /nfs/dbraw/zinc/40/56/71/1072405671.db2.gz YNJNQZXBNCUOQQ-SFHVURJKSA-N 2 2 447.584 -0.592 20 0 IBADLP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000568419887 1072405668 /nfs/dbraw/zinc/40/56/68/1072405668.db2.gz YNJNQZXBNCUOQQ-SFHVURJKSA-N 2 2 447.584 -0.592 20 0 IBADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000568439875 1072406897 /nfs/dbraw/zinc/40/68/97/1072406897.db2.gz ZDFSWWCQHYXXCG-UHFFFAOYSA-N 2 2 439.601 -0.356 20 0 IBADLP CN(CCC[NH+](C)C)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000568540503 1072408346 /nfs/dbraw/zinc/40/83/46/1072408346.db2.gz FNXOKMZDDZAPJH-UHFFFAOYSA-N 2 2 440.570 -0.940 20 0 IBADLP C[C@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)CN1CC[NH+](C)CC1 ZINC000568541408 1072408242 /nfs/dbraw/zinc/40/82/42/1072408242.db2.gz QPZSHEXYDFWECE-GOSISDBHSA-N 2 2 431.585 -0.551 20 0 IBADLP C[C@@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)CN1CC[NH+](C)CC1 ZINC000568541428 1072409077 /nfs/dbraw/zinc/40/90/77/1072409077.db2.gz QPZSHEXYDFWECE-SFHVURJKSA-N 2 2 431.585 -0.551 20 0 IBADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000568668829 1072411482 /nfs/dbraw/zinc/41/14/82/1072411482.db2.gz DEPBTOOHCPIRPS-UHFFFAOYSA-N 2 2 433.553 -0.273 20 0 IBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000568846291 1072414597 /nfs/dbraw/zinc/41/45/97/1072414597.db2.gz PSWVWRSSTLWAMJ-FGTMMUONSA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000568846291 1072414592 /nfs/dbraw/zinc/41/45/92/1072414592.db2.gz PSWVWRSSTLWAMJ-FGTMMUONSA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000568846291 1072414590 /nfs/dbraw/zinc/41/45/90/1072414590.db2.gz PSWVWRSSTLWAMJ-FGTMMUONSA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000568846291 1072414586 /nfs/dbraw/zinc/41/45/86/1072414586.db2.gz PSWVWRSSTLWAMJ-FGTMMUONSA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000568846300 1072414637 /nfs/dbraw/zinc/41/46/37/1072414637.db2.gz PSWVWRSSTLWAMJ-KSZLIROESA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000568846300 1072414632 /nfs/dbraw/zinc/41/46/32/1072414632.db2.gz PSWVWRSSTLWAMJ-KSZLIROESA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000568846300 1072414627 /nfs/dbraw/zinc/41/46/27/1072414627.db2.gz PSWVWRSSTLWAMJ-KSZLIROESA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000568846300 1072414623 /nfs/dbraw/zinc/41/46/23/1072414623.db2.gz PSWVWRSSTLWAMJ-KSZLIROESA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000568846301 1072414754 /nfs/dbraw/zinc/41/47/54/1072414754.db2.gz PSWVWRSSTLWAMJ-KURKYZTESA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000568846301 1072414747 /nfs/dbraw/zinc/41/47/47/1072414747.db2.gz PSWVWRSSTLWAMJ-KURKYZTESA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000568846302 1072414684 /nfs/dbraw/zinc/41/46/84/1072414684.db2.gz PSWVWRSSTLWAMJ-KZNAEPCWSA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000568846302 1072414677 /nfs/dbraw/zinc/41/46/77/1072414677.db2.gz PSWVWRSSTLWAMJ-KZNAEPCWSA-N 2 2 437.585 -0.245 20 0 IBADLP CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000569151572 1072421231 /nfs/dbraw/zinc/42/12/31/1072421231.db2.gz PKGBQLMUYSRLAR-QUCCMNQESA-N 2 2 447.584 -0.177 20 0 IBADLP CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000569151572 1072421228 /nfs/dbraw/zinc/42/12/28/1072421228.db2.gz PKGBQLMUYSRLAR-QUCCMNQESA-N 2 2 447.584 -0.177 20 0 IBADLP CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000569532818 1072429156 /nfs/dbraw/zinc/42/91/56/1072429156.db2.gz ZZCFTWGJRJTGJK-GOSISDBHSA-N 2 2 447.584 -0.001 20 0 IBADLP CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000569532818 1072429152 /nfs/dbraw/zinc/42/91/52/1072429152.db2.gz ZZCFTWGJRJTGJK-GOSISDBHSA-N 2 2 447.584 -0.001 20 0 IBADLP CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000569532819 1072429078 /nfs/dbraw/zinc/42/90/78/1072429078.db2.gz ZZCFTWGJRJTGJK-SFHVURJKSA-N 2 2 447.584 -0.001 20 0 IBADLP CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000569532819 1072429075 /nfs/dbraw/zinc/42/90/75/1072429075.db2.gz ZZCFTWGJRJTGJK-SFHVURJKSA-N 2 2 447.584 -0.001 20 0 IBADLP O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000569745323 1072433011 /nfs/dbraw/zinc/43/30/11/1072433011.db2.gz PRDAWGLXLJFCCW-XPWALMASSA-N 2 2 440.629 -0.449 20 0 IBADLP O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000569745323 1072433006 /nfs/dbraw/zinc/43/30/06/1072433006.db2.gz PRDAWGLXLJFCCW-XPWALMASSA-N 2 2 440.629 -0.449 20 0 IBADLP O[C@H](CN1CCOCC1)C[NH+]1CCC[C@@]2(CCC[N@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000569745323 1072433000 /nfs/dbraw/zinc/43/30/00/1072433000.db2.gz PRDAWGLXLJFCCW-XPWALMASSA-N 2 2 440.629 -0.449 20 0 IBADLP O[C@H](CN1CCOCC1)C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC000569745323 1072432994 /nfs/dbraw/zinc/43/29/94/1072432994.db2.gz PRDAWGLXLJFCCW-XPWALMASSA-N 2 2 440.629 -0.449 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCN(C)CC1 ZINC000570228872 1072441355 /nfs/dbraw/zinc/44/13/55/1072441355.db2.gz JXAJRMLTYCEYTH-FQEVSTJZSA-N 2 2 445.612 -0.162 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000570228872 1072441351 /nfs/dbraw/zinc/44/13/51/1072441351.db2.gz JXAJRMLTYCEYTH-FQEVSTJZSA-N 2 2 445.612 -0.162 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCN(C)CC1 ZINC000570228873 1072441225 /nfs/dbraw/zinc/44/12/25/1072441225.db2.gz JXAJRMLTYCEYTH-HXUWFJFHSA-N 2 2 445.612 -0.162 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000570228873 1072441214 /nfs/dbraw/zinc/44/12/14/1072441214.db2.gz JXAJRMLTYCEYTH-HXUWFJFHSA-N 2 2 445.612 -0.162 20 0 IBADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000570467830 1072445203 /nfs/dbraw/zinc/44/52/03/1072445203.db2.gz IMZDZDFVUCWYCC-NRFANRHFSA-N 2 2 430.597 -0.198 20 0 IBADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000570467830 1072445201 /nfs/dbraw/zinc/44/52/01/1072445201.db2.gz IMZDZDFVUCWYCC-NRFANRHFSA-N 2 2 430.597 -0.198 20 0 IBADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000570467831 1072445235 /nfs/dbraw/zinc/44/52/35/1072445235.db2.gz IMZDZDFVUCWYCC-OAQYLSRUSA-N 2 2 430.597 -0.198 20 0 IBADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000570467831 1072445234 /nfs/dbraw/zinc/44/52/34/1072445234.db2.gz IMZDZDFVUCWYCC-OAQYLSRUSA-N 2 2 430.597 -0.198 20 0 IBADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000570645200 1072448360 /nfs/dbraw/zinc/44/83/60/1072448360.db2.gz COXJNHBEXTWXSS-LMMKCTJWSA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000570645229 1072448432 /nfs/dbraw/zinc/44/84/32/1072448432.db2.gz COXJNHBEXTWXSS-SCTDSRPQSA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000570645229 1072448428 /nfs/dbraw/zinc/44/84/28/1072448428.db2.gz COXJNHBEXTWXSS-SCTDSRPQSA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000570645231 1072448341 /nfs/dbraw/zinc/44/83/41/1072448341.db2.gz COXJNHBEXTWXSS-ZHALLVOQSA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000570645234 1072448486 /nfs/dbraw/zinc/44/84/86/1072448486.db2.gz COXJNHBEXTWXSS-ZIFCJYIRSA-N 2 2 437.585 -0.245 20 0 IBADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000570645234 1072448479 /nfs/dbraw/zinc/44/84/79/1072448479.db2.gz COXJNHBEXTWXSS-ZIFCJYIRSA-N 2 2 437.585 -0.245 20 0 IBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000570852165 1072452890 /nfs/dbraw/zinc/45/28/90/1072452890.db2.gz DBGPSXGIYFYOCT-IBGZPJMESA-N 2 2 438.569 -0.615 20 0 IBADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000570852167 1072452764 /nfs/dbraw/zinc/45/27/64/1072452764.db2.gz DBGPSXGIYFYOCT-LJQANCHMSA-N 2 2 438.569 -0.615 20 0 IBADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000571189352 1072457409 /nfs/dbraw/zinc/45/74/09/1072457409.db2.gz XXAFNRWFISWNJD-UHFFFAOYSA-N 3 2 432.569 -0.375 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000571416949 1073681557 /nfs/dbraw/zinc/68/15/57/1073681557.db2.gz SJORIBHFWIUMAO-IBGZPJMESA-N 2 2 432.569 -0.077 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000571416954 1073681382 /nfs/dbraw/zinc/68/13/82/1073681382.db2.gz SJORIBHFWIUMAO-LJQANCHMSA-N 2 2 432.569 -0.077 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000571900086 1072171436 /nfs/dbraw/zinc/17/14/36/1072171436.db2.gz FEZWPGNXYYXQRR-NRFANRHFSA-N 2 2 447.580 -0.928 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000571900087 1072171422 /nfs/dbraw/zinc/17/14/22/1072171422.db2.gz FEZWPGNXYYXQRR-OAQYLSRUSA-N 2 2 447.580 -0.928 20 0 IBADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000571916988 1072172153 /nfs/dbraw/zinc/17/21/53/1072172153.db2.gz FVLXVNREWUYFAW-UHFFFAOYSA-N 2 2 439.601 -0.090 20 0 IBADLP C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000572047385 1072179926 /nfs/dbraw/zinc/17/99/26/1072179926.db2.gz FNRBLBLGTPBCPD-KRWDZBQOSA-N 2 2 443.552 -0.272 20 0 IBADLP C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1=CC[N@H+](C)CC1 ZINC000572047385 1072179918 /nfs/dbraw/zinc/17/99/18/1072179918.db2.gz FNRBLBLGTPBCPD-KRWDZBQOSA-N 2 2 443.552 -0.272 20 0 IBADLP C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1=CC[N@@H+](C)CC1 ZINC000572047385 1072179914 /nfs/dbraw/zinc/17/99/14/1072179914.db2.gz FNRBLBLGTPBCPD-KRWDZBQOSA-N 2 2 443.552 -0.272 20 0 IBADLP C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1=CC[N@H+](C)CC1 ZINC000572047385 1072179910 /nfs/dbraw/zinc/17/99/10/1072179910.db2.gz FNRBLBLGTPBCPD-KRWDZBQOSA-N 2 2 443.552 -0.272 20 0 IBADLP C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000572047386 1072180066 /nfs/dbraw/zinc/18/00/66/1072180066.db2.gz FNRBLBLGTPBCPD-QGZVFWFLSA-N 2 2 443.552 -0.272 20 0 IBADLP C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1=CC[N@H+](C)CC1 ZINC000572047386 1072180061 /nfs/dbraw/zinc/18/00/61/1072180061.db2.gz FNRBLBLGTPBCPD-QGZVFWFLSA-N 2 2 443.552 -0.272 20 0 IBADLP C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1=CC[N@@H+](C)CC1 ZINC000572047386 1072180052 /nfs/dbraw/zinc/18/00/52/1072180052.db2.gz FNRBLBLGTPBCPD-QGZVFWFLSA-N 2 2 443.552 -0.272 20 0 IBADLP C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1=CC[N@H+](C)CC1 ZINC000572047386 1072180042 /nfs/dbraw/zinc/18/00/42/1072180042.db2.gz FNRBLBLGTPBCPD-QGZVFWFLSA-N 2 2 443.552 -0.272 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000572307915 1072470417 /nfs/dbraw/zinc/47/04/17/1072470417.db2.gz CYBCZTBBXJTBGX-UHFFFAOYSA-N 2 2 431.537 -0.538 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC000572501620 1072473698 /nfs/dbraw/zinc/47/36/98/1072473698.db2.gz WUKKPUJSHVGYGT-UHFFFAOYSA-N 2 2 437.585 -0.382 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000572553921 1072474315 /nfs/dbraw/zinc/47/43/15/1072474315.db2.gz HFQFGLFHELMLOE-KRWDZBQOSA-N 2 2 433.557 -0.484 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000572553921 1072474307 /nfs/dbraw/zinc/47/43/07/1072474307.db2.gz HFQFGLFHELMLOE-KRWDZBQOSA-N 2 2 433.557 -0.484 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000572553923 1072474394 /nfs/dbraw/zinc/47/43/94/1072474394.db2.gz HFQFGLFHELMLOE-QGZVFWFLSA-N 2 2 433.557 -0.484 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000572553923 1072474388 /nfs/dbraw/zinc/47/43/88/1072474388.db2.gz HFQFGLFHELMLOE-QGZVFWFLSA-N 2 2 433.557 -0.484 20 0 IBADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000572863099 1072478297 /nfs/dbraw/zinc/47/82/97/1072478297.db2.gz NLDYEXZIZCYOIM-UHFFFAOYSA-N 2 2 445.568 -0.190 20 0 IBADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000572863099 1072478293 /nfs/dbraw/zinc/47/82/93/1072478293.db2.gz NLDYEXZIZCYOIM-UHFFFAOYSA-N 2 2 445.568 -0.190 20 0 IBADLP CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[NH+]1CCOCC1 ZINC000572980474 1072479516 /nfs/dbraw/zinc/47/95/16/1072479516.db2.gz UQCNPRVDTKSUBL-IBGZPJMESA-N 2 2 432.569 -0.077 20 0 IBADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[NH+]1CCOCC1 ZINC000572980476 1072479436 /nfs/dbraw/zinc/47/94/36/1072479436.db2.gz UQCNPRVDTKSUBL-LJQANCHMSA-N 2 2 432.569 -0.077 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000572991459 1072479589 /nfs/dbraw/zinc/47/95/89/1072479589.db2.gz FAALTVHRZNNEJK-UHFFFAOYSA-N 2 2 435.573 -0.628 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000572991459 1072479586 /nfs/dbraw/zinc/47/95/86/1072479586.db2.gz FAALTVHRZNNEJK-UHFFFAOYSA-N 2 2 435.573 -0.628 20 0 IBADLP CN(C)c1nc(N2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cc[nH+]1 ZINC000573022682 1072481003 /nfs/dbraw/zinc/48/10/03/1072481003.db2.gz PQEQVAUKELKEOA-GOSISDBHSA-N 2 2 445.568 -0.096 20 0 IBADLP CN(C)c1nc(N2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)cc[nH+]1 ZINC000573022683 1072480983 /nfs/dbraw/zinc/48/09/83/1072480983.db2.gz PQEQVAUKELKEOA-SFHVURJKSA-N 2 2 445.568 -0.096 20 0 IBADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCO1 ZINC000573129670 1072481649 /nfs/dbraw/zinc/48/16/49/1072481649.db2.gz OIJVKHBVUZQEKC-INIZCTEOSA-N 2 2 444.540 -0.371 20 0 IBADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCO1 ZINC000573129670 1072481647 /nfs/dbraw/zinc/48/16/47/1072481647.db2.gz OIJVKHBVUZQEKC-INIZCTEOSA-N 2 2 444.540 -0.371 20 0 IBADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCO1 ZINC000573129672 1072481675 /nfs/dbraw/zinc/48/16/75/1072481675.db2.gz OIJVKHBVUZQEKC-MRXNPFEDSA-N 2 2 444.540 -0.371 20 0 IBADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCO1 ZINC000573129672 1072481671 /nfs/dbraw/zinc/48/16/71/1072481671.db2.gz OIJVKHBVUZQEKC-MRXNPFEDSA-N 2 2 444.540 -0.371 20 0 IBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000573903229 1072491522 /nfs/dbraw/zinc/49/15/22/1072491522.db2.gz WPEZELQCLCJAOG-UHFFFAOYSA-N 2 2 446.600 -0.799 20 0 IBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000573903229 1072491515 /nfs/dbraw/zinc/49/15/15/1072491515.db2.gz WPEZELQCLCJAOG-UHFFFAOYSA-N 2 2 446.600 -0.799 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000574188710 1072252163 /nfs/dbraw/zinc/25/21/63/1072252163.db2.gz IPHVORFSARMXCL-FXAWDEMLSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000574188710 1072252158 /nfs/dbraw/zinc/25/21/58/1072252158.db2.gz IPHVORFSARMXCL-FXAWDEMLSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000574188710 1072252151 /nfs/dbraw/zinc/25/21/51/1072252151.db2.gz IPHVORFSARMXCL-FXAWDEMLSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000574188710 1072252144 /nfs/dbraw/zinc/25/21/44/1072252144.db2.gz IPHVORFSARMXCL-FXAWDEMLSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000574188724 1072252273 /nfs/dbraw/zinc/25/22/73/1072252273.db2.gz IPHVORFSARMXCL-PXNSSMCTSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000574188724 1072252261 /nfs/dbraw/zinc/25/22/61/1072252261.db2.gz IPHVORFSARMXCL-PXNSSMCTSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000574188724 1072252259 /nfs/dbraw/zinc/25/22/59/1072252259.db2.gz IPHVORFSARMXCL-PXNSSMCTSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000574188724 1072252253 /nfs/dbraw/zinc/25/22/53/1072252253.db2.gz IPHVORFSARMXCL-PXNSSMCTSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H](C)C1 ZINC000574188725 1072252080 /nfs/dbraw/zinc/25/20/80/1072252080.db2.gz IPHVORFSARMXCL-XLIONFOSSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H](C)C1 ZINC000574188725 1072252073 /nfs/dbraw/zinc/25/20/73/1072252073.db2.gz IPHVORFSARMXCL-XLIONFOSSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)[C@H](C)C1 ZINC000574188725 1072252071 /nfs/dbraw/zinc/25/20/71/1072252071.db2.gz IPHVORFSARMXCL-XLIONFOSSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)[C@H](C)C1 ZINC000574188725 1072252067 /nfs/dbraw/zinc/25/20/67/1072252067.db2.gz IPHVORFSARMXCL-XLIONFOSSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000574188726 1072252121 /nfs/dbraw/zinc/25/21/21/1072252121.db2.gz IPHVORFSARMXCL-YLJYHZDGSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000574188726 1072252112 /nfs/dbraw/zinc/25/21/12/1072252112.db2.gz IPHVORFSARMXCL-YLJYHZDGSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000574188726 1072252107 /nfs/dbraw/zinc/25/21/07/1072252107.db2.gz IPHVORFSARMXCL-YLJYHZDGSA-N 2 2 446.548 -0.035 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000574188726 1072252104 /nfs/dbraw/zinc/25/21/04/1072252104.db2.gz IPHVORFSARMXCL-YLJYHZDGSA-N 2 2 446.548 -0.035 20 0 IBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000574297968 1072255995 /nfs/dbraw/zinc/25/59/95/1072255995.db2.gz LFJNEISOXNDVLJ-GOSISDBHSA-N 2 2 428.537 -0.068 20 0 IBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000574297968 1072255989 /nfs/dbraw/zinc/25/59/89/1072255989.db2.gz LFJNEISOXNDVLJ-GOSISDBHSA-N 2 2 428.537 -0.068 20 0 IBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000574297969 1072495990 /nfs/dbraw/zinc/49/59/90/1072495990.db2.gz LFJNEISOXNDVLJ-SFHVURJKSA-N 2 2 428.537 -0.068 20 0 IBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000574297969 1072495986 /nfs/dbraw/zinc/49/59/86/1072495986.db2.gz LFJNEISOXNDVLJ-SFHVURJKSA-N 2 2 428.537 -0.068 20 0 IBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000574593352 1072499773 /nfs/dbraw/zinc/49/97/73/1072499773.db2.gz SPKCUNBWZUQXEH-MOPGFXCFSA-N 2 2 432.569 -0.065 20 0 IBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000574593352 1072499760 /nfs/dbraw/zinc/49/97/60/1072499760.db2.gz SPKCUNBWZUQXEH-MOPGFXCFSA-N 2 2 432.569 -0.065 20 0 IBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000574593353 1072500017 /nfs/dbraw/zinc/50/00/17/1072500017.db2.gz SPKCUNBWZUQXEH-OALUTQOASA-N 2 2 432.569 -0.065 20 0 IBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000574593353 1072500011 /nfs/dbraw/zinc/50/00/11/1072500011.db2.gz SPKCUNBWZUQXEH-OALUTQOASA-N 2 2 432.569 -0.065 20 0 IBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000574593354 1072499986 /nfs/dbraw/zinc/49/99/86/1072499986.db2.gz SPKCUNBWZUQXEH-RBUKOAKNSA-N 2 2 432.569 -0.065 20 0 IBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000574593354 1072499984 /nfs/dbraw/zinc/49/99/84/1072499984.db2.gz SPKCUNBWZUQXEH-RBUKOAKNSA-N 2 2 432.569 -0.065 20 0 IBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000574593355 1072500538 /nfs/dbraw/zinc/50/05/38/1072500538.db2.gz SPKCUNBWZUQXEH-RTBURBONSA-N 2 2 432.569 -0.065 20 0 IBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000574593355 1072500535 /nfs/dbraw/zinc/50/05/35/1072500535.db2.gz SPKCUNBWZUQXEH-RTBURBONSA-N 2 2 432.569 -0.065 20 0 IBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000575111440 1072270329 /nfs/dbraw/zinc/27/03/29/1072270329.db2.gz NJTNIEAUEDINQQ-KRWDZBQOSA-N 2 2 432.525 -0.927 20 0 IBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000575111440 1072270321 /nfs/dbraw/zinc/27/03/21/1072270321.db2.gz NJTNIEAUEDINQQ-KRWDZBQOSA-N 2 2 432.525 -0.927 20 0 IBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000575111441 1072270185 /nfs/dbraw/zinc/27/01/85/1072270185.db2.gz NJTNIEAUEDINQQ-QGZVFWFLSA-N 2 2 432.525 -0.927 20 0 IBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000575111441 1072270177 /nfs/dbraw/zinc/27/01/77/1072270177.db2.gz NJTNIEAUEDINQQ-QGZVFWFLSA-N 2 2 432.525 -0.927 20 0 IBADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000575347030 1072507665 /nfs/dbraw/zinc/50/76/65/1072507665.db2.gz GNPLSMKZAZJCKP-UHFFFAOYSA-N 2 2 425.574 -0.386 20 0 IBADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000575357236 1072508219 /nfs/dbraw/zinc/50/82/19/1072508219.db2.gz WQNLXRWKMHMARN-UHFFFAOYSA-N 3 2 445.612 -0.148 20 0 IBADLP Cn1ccnc1CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000575890379 1072511825 /nfs/dbraw/zinc/51/18/25/1072511825.db2.gz OZZXBURYLDRPQQ-UHFFFAOYSA-N 2 2 431.585 -0.261 20 0 IBADLP O=C(CN1CCN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1)N1CCOCC1 ZINC000576075512 1072515962 /nfs/dbraw/zinc/51/59/62/1072515962.db2.gz VDWXHRWFKPOEQG-IBGZPJMESA-N 2 2 430.553 -0.182 20 0 IBADLP O=C(CN1CCN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1)N1CCOCC1 ZINC000576075512 1072515950 /nfs/dbraw/zinc/51/59/50/1072515950.db2.gz VDWXHRWFKPOEQG-IBGZPJMESA-N 2 2 430.553 -0.182 20 0 IBADLP O=C(CN1CCN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1)N1CCOCC1 ZINC000576075513 1072516192 /nfs/dbraw/zinc/51/61/92/1072516192.db2.gz VDWXHRWFKPOEQG-LJQANCHMSA-N 2 2 430.553 -0.182 20 0 IBADLP O=C(CN1CCN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1)N1CCOCC1 ZINC000576075513 1072516187 /nfs/dbraw/zinc/51/61/87/1072516187.db2.gz VDWXHRWFKPOEQG-LJQANCHMSA-N 2 2 430.553 -0.182 20 0 IBADLP CSC1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[NH+](C)CC1 ZINC000576159659 1072517109 /nfs/dbraw/zinc/51/71/09/1072517109.db2.gz ZFMPAHUKKXYWFW-UHFFFAOYSA-N 2 2 448.659 -0.367 20 0 IBADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1C ZINC000576420460 1072521489 /nfs/dbraw/zinc/52/14/89/1072521489.db2.gz QRJCNYBCFDJZBQ-UHFFFAOYSA-N 2 2 435.573 -0.155 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000576847615 1072528981 /nfs/dbraw/zinc/52/89/81/1072528981.db2.gz DLVSJSOACVSFAV-INIZCTEOSA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000576847615 1072528971 /nfs/dbraw/zinc/52/89/71/1072528971.db2.gz DLVSJSOACVSFAV-INIZCTEOSA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000576847616 1072529118 /nfs/dbraw/zinc/52/91/18/1072529118.db2.gz DLVSJSOACVSFAV-MRXNPFEDSA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000576847616 1072529109 /nfs/dbraw/zinc/52/91/09/1072529109.db2.gz DLVSJSOACVSFAV-MRXNPFEDSA-N 2 2 439.557 -0.859 20 0 IBADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000576893170 1072529705 /nfs/dbraw/zinc/52/97/05/1072529705.db2.gz YEOYPVVALNUZIX-GOSISDBHSA-N 2 2 445.568 -0.190 20 0 IBADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000576893170 1072529698 /nfs/dbraw/zinc/52/96/98/1072529698.db2.gz YEOYPVVALNUZIX-GOSISDBHSA-N 2 2 445.568 -0.190 20 0 IBADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000576893170 1072529692 /nfs/dbraw/zinc/52/96/92/1072529692.db2.gz YEOYPVVALNUZIX-GOSISDBHSA-N 2 2 445.568 -0.190 20 0 IBADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000576893170 1072529684 /nfs/dbraw/zinc/52/96/84/1072529684.db2.gz YEOYPVVALNUZIX-GOSISDBHSA-N 2 2 445.568 -0.190 20 0 IBADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000576893171 1072529567 /nfs/dbraw/zinc/52/95/67/1072529567.db2.gz YEOYPVVALNUZIX-SFHVURJKSA-N 2 2 445.568 -0.190 20 0 IBADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000576893171 1072529559 /nfs/dbraw/zinc/52/95/59/1072529559.db2.gz YEOYPVVALNUZIX-SFHVURJKSA-N 2 2 445.568 -0.190 20 0 IBADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000576893171 1072529546 /nfs/dbraw/zinc/52/95/46/1072529546.db2.gz YEOYPVVALNUZIX-SFHVURJKSA-N 2 2 445.568 -0.190 20 0 IBADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000576893171 1072529535 /nfs/dbraw/zinc/52/95/35/1072529535.db2.gz YEOYPVVALNUZIX-SFHVURJKSA-N 2 2 445.568 -0.190 20 0 IBADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)cc1OC ZINC000577077074 1072532906 /nfs/dbraw/zinc/53/29/06/1072532906.db2.gz GXQZUXCEWSTNGL-MOPGFXCFSA-N 2 2 445.564 -0.100 20 0 IBADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)cc1OC ZINC000577077079 1072533071 /nfs/dbraw/zinc/53/30/71/1072533071.db2.gz GXQZUXCEWSTNGL-OALUTQOASA-N 2 2 445.564 -0.100 20 0 IBADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)cc1OC ZINC000577077083 1072533581 /nfs/dbraw/zinc/53/35/81/1072533581.db2.gz GXQZUXCEWSTNGL-RBUKOAKNSA-N 2 2 445.564 -0.100 20 0 IBADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)cc1OC ZINC000577077084 1072533325 /nfs/dbraw/zinc/53/33/25/1072533325.db2.gz GXQZUXCEWSTNGL-RTBURBONSA-N 2 2 445.564 -0.100 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000577165961 1072535414 /nfs/dbraw/zinc/53/54/14/1072535414.db2.gz IAXAOWOFYMMPAO-SFHVURJKSA-N 2 2 437.585 -0.336 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)CC1 ZINC000577197101 1072535721 /nfs/dbraw/zinc/53/57/21/1072535721.db2.gz PPGHVGYGPMTZLE-KRWDZBQOSA-N 2 2 449.552 -0.251 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)CC1 ZINC000577197106 1072535840 /nfs/dbraw/zinc/53/58/40/1072535840.db2.gz PPGHVGYGPMTZLE-QGZVFWFLSA-N 2 2 449.552 -0.251 20 0 IBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000577302152 1072537862 /nfs/dbraw/zinc/53/78/62/1072537862.db2.gz IBVWMZQYRGODAL-UHFFFAOYSA-N 2 2 437.585 -0.334 20 0 IBADLP O=C(CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)NCC[NH+]1CCCCCC1 ZINC000577397210 1072539982 /nfs/dbraw/zinc/53/99/82/1072539982.db2.gz GSRAYXYFKZFWRG-UHFFFAOYSA-N 2 2 449.556 -0.738 20 0 IBADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000577702887 1073307174 /nfs/dbraw/zinc/30/71/74/1073307174.db2.gz QLESAWAZDWPTCP-UHFFFAOYSA-N 2 2 429.525 0.139 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000578031362 1072554920 /nfs/dbraw/zinc/55/49/20/1072554920.db2.gz QJJJYFWWGIYITK-IBGZPJMESA-N 2 2 438.617 -0.613 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000578031363 1072555145 /nfs/dbraw/zinc/55/51/45/1072555145.db2.gz QJJJYFWWGIYITK-LJQANCHMSA-N 2 2 438.617 -0.613 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000578169558 1072558635 /nfs/dbraw/zinc/55/86/35/1072558635.db2.gz RSZKRTIIBHPFNH-KRWDZBQOSA-N 2 2 446.552 -0.455 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000578169558 1072558617 /nfs/dbraw/zinc/55/86/17/1072558617.db2.gz RSZKRTIIBHPFNH-KRWDZBQOSA-N 2 2 446.552 -0.455 20 0 IBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@H](C)C1 ZINC000578169559 1072558364 /nfs/dbraw/zinc/55/83/64/1072558364.db2.gz RSZKRTIIBHPFNH-QGZVFWFLSA-N 2 2 446.552 -0.455 20 0 IBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)[C@H](C)C1 ZINC000578169559 1072558359 /nfs/dbraw/zinc/55/83/59/1072558359.db2.gz RSZKRTIIBHPFNH-QGZVFWFLSA-N 2 2 446.552 -0.455 20 0 IBADLP CC[NH+](CC)CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000578494101 1072565443 /nfs/dbraw/zinc/56/54/43/1072565443.db2.gz CWXSZICHBNUPMM-UHFFFAOYSA-N 2 2 433.600 -0.205 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000578772947 1072569762 /nfs/dbraw/zinc/56/97/62/1072569762.db2.gz YGHCBGBFZRLMRK-IBGZPJMESA-N 2 2 438.617 -0.519 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000578772948 1072569699 /nfs/dbraw/zinc/56/96/99/1072569699.db2.gz YGHCBGBFZRLMRK-LJQANCHMSA-N 2 2 438.617 -0.519 20 0 IBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000579502999 1072582754 /nfs/dbraw/zinc/58/27/54/1072582754.db2.gz VYAMYFQLEFKTAK-FQEVSTJZSA-N 2 2 427.615 -0.057 20 0 IBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000579503000 1072582839 /nfs/dbraw/zinc/58/28/39/1072582839.db2.gz VYAMYFQLEFKTAK-HXUWFJFHSA-N 2 2 427.615 -0.057 20 0 IBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000579573766 1072584877 /nfs/dbraw/zinc/58/48/77/1072584877.db2.gz XPKRPNBVHMBMAG-IBGZPJMESA-N 2 2 445.612 -0.161 20 0 IBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000579573766 1072584873 /nfs/dbraw/zinc/58/48/73/1072584873.db2.gz XPKRPNBVHMBMAG-IBGZPJMESA-N 2 2 445.612 -0.161 20 0 IBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000579573767 1072584807 /nfs/dbraw/zinc/58/48/07/1072584807.db2.gz XPKRPNBVHMBMAG-LJQANCHMSA-N 2 2 445.612 -0.161 20 0 IBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000579573767 1072584802 /nfs/dbraw/zinc/58/48/02/1072584802.db2.gz XPKRPNBVHMBMAG-LJQANCHMSA-N 2 2 445.612 -0.161 20 0 IBADLP NC(=O)[C@@H]1CN(c2ccc3nc(C(F)F)nc(N4CC[NH2+][C@H](C(N)=O)C4)c3c2)CC[NH2+]1 ZINC000579782588 1070804251 /nfs/dbraw/zinc/80/42/51/1070804251.db2.gz HISVGSDURWCVKU-KBPBESRZSA-N 2 2 434.451 -0.906 20 0 IBADLP NC(=O)[C@H]1CN(c2ccc3nc(C(F)F)nc(N4CC[NH2+][C@H](C(N)=O)C4)c3c2)CC[NH2+]1 ZINC000579782589 1070804046 /nfs/dbraw/zinc/80/40/46/1070804046.db2.gz HISVGSDURWCVKU-KGLIPLIRSA-N 2 2 434.451 -0.906 20 0 IBADLP NC(=O)[C@H]1CN(c2nc(C(F)F)nc3ccc(N4CC[NH2+][C@H](C(N)=O)C4)cc32)CC[NH2+]1 ZINC000579782590 1070803859 /nfs/dbraw/zinc/80/38/59/1070803859.db2.gz HISVGSDURWCVKU-UONOGXRCSA-N 2 2 434.451 -0.906 20 0 IBADLP NC(=O)[C@H]1CN(c2ccc3nc(C(F)F)nc(N4CC[NH2+][C@@H](C(N)=O)C4)c3c2)CC[NH2+]1 ZINC000579782591 1070804126 /nfs/dbraw/zinc/80/41/26/1070804126.db2.gz HISVGSDURWCVKU-ZIAGYGMSSA-N 2 2 434.451 -0.906 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000579981567 1070895091 /nfs/dbraw/zinc/89/50/91/1070895091.db2.gz VBJYWQIQNMFQTD-UHFFFAOYSA-N 2 2 444.580 -0.406 20 0 IBADLP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)CN1CC[NH+](C)CC1 ZINC000580103098 1070912788 /nfs/dbraw/zinc/91/27/88/1070912788.db2.gz TXOVSRZJUBAMGC-FQEVSTJZSA-N 3 2 445.612 -0.290 20 0 IBADLP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)CN1CC[NH+](C)CC1 ZINC000580103099 1070912858 /nfs/dbraw/zinc/91/28/58/1070912858.db2.gz TXOVSRZJUBAMGC-HXUWFJFHSA-N 3 2 445.612 -0.290 20 0 IBADLP O=C1NC(=O)C2(CCC([NH2+]CCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)N1 ZINC000580108497 1070912582 /nfs/dbraw/zinc/91/25/82/1070912582.db2.gz PKIURVNQXLPCLW-UHFFFAOYSA-N 2 2 436.538 -0.356 20 0 IBADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000580220799 1070917184 /nfs/dbraw/zinc/91/71/84/1070917184.db2.gz ZWEMWWOBPBJSMG-UHFFFAOYSA-N 2 2 445.568 -0.048 20 0 IBADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000580220799 1070917173 /nfs/dbraw/zinc/91/71/73/1070917173.db2.gz ZWEMWWOBPBJSMG-UHFFFAOYSA-N 2 2 445.568 -0.048 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000580233966 1070918081 /nfs/dbraw/zinc/91/80/81/1070918081.db2.gz AKKDPMKTJNECBZ-NRFANRHFSA-N 2 2 448.564 -0.589 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000580233967 1070917969 /nfs/dbraw/zinc/91/79/69/1070917969.db2.gz AKKDPMKTJNECBZ-OAQYLSRUSA-N 2 2 448.564 -0.589 20 0 IBADLP COCC[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000580241266 1071324838 /nfs/dbraw/zinc/32/48/38/1071324838.db2.gz KGAJXSILCKXZKE-UHFFFAOYSA-N 2 2 425.574 -0.480 20 0 IBADLP Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2=O)n1 ZINC000580731895 1070944446 /nfs/dbraw/zinc/94/44/46/1070944446.db2.gz SBERNFRWBKXDCT-GOSISDBHSA-N 2 2 445.568 -0.294 20 0 IBADLP Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2=O)n1 ZINC000580731898 1070944128 /nfs/dbraw/zinc/94/41/28/1070944128.db2.gz SBERNFRWBKXDCT-SFHVURJKSA-N 2 2 445.568 -0.294 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000580732850 1070944482 /nfs/dbraw/zinc/94/44/82/1070944482.db2.gz LRURSZJKRNIHHT-IBGZPJMESA-N 2 2 436.601 -0.859 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000580732850 1070944474 /nfs/dbraw/zinc/94/44/74/1070944474.db2.gz LRURSZJKRNIHHT-IBGZPJMESA-N 2 2 436.601 -0.859 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000580732851 1070944184 /nfs/dbraw/zinc/94/41/84/1070944184.db2.gz LRURSZJKRNIHHT-LJQANCHMSA-N 2 2 436.601 -0.859 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)CC1 ZINC000580732851 1070944172 /nfs/dbraw/zinc/94/41/72/1070944172.db2.gz LRURSZJKRNIHHT-LJQANCHMSA-N 2 2 436.601 -0.859 20 0 IBADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000581480096 1070979262 /nfs/dbraw/zinc/97/92/62/1070979262.db2.gz BOPWTLDNOPIQIC-KRWDZBQOSA-N 2 2 434.541 -0.119 20 0 IBADLP CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000581480097 1070979102 /nfs/dbraw/zinc/97/91/02/1070979102.db2.gz BOPWTLDNOPIQIC-QGZVFWFLSA-N 2 2 434.541 -0.119 20 0 IBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000581621240 1070985926 /nfs/dbraw/zinc/98/59/26/1070985926.db2.gz IMQYIQMEKAOZQB-UHFFFAOYSA-N 2 2 445.568 -0.572 20 0 IBADLP Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000581904559 1071006878 /nfs/dbraw/zinc/00/68/78/1071006878.db2.gz QUYBHAWWEGGDEM-KRWDZBQOSA-N 2 2 433.557 -0.566 20 0 IBADLP Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000581904559 1071006861 /nfs/dbraw/zinc/00/68/61/1071006861.db2.gz QUYBHAWWEGGDEM-KRWDZBQOSA-N 2 2 433.557 -0.566 20 0 IBADLP Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000581904560 1071006624 /nfs/dbraw/zinc/00/66/24/1071006624.db2.gz QUYBHAWWEGGDEM-QGZVFWFLSA-N 2 2 433.557 -0.566 20 0 IBADLP Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000581904560 1071006602 /nfs/dbraw/zinc/00/66/02/1071006602.db2.gz QUYBHAWWEGGDEM-QGZVFWFLSA-N 2 2 433.557 -0.566 20 0 IBADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000582027231 1071064312 /nfs/dbraw/zinc/06/43/12/1071064312.db2.gz ODYPBOBRYRSQAU-UHFFFAOYSA-N 2 2 427.615 -0.106 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000582195910 1071076993 /nfs/dbraw/zinc/07/69/93/1071076993.db2.gz YSRGISIQNCVVGX-GOSISDBHSA-N 2 2 444.580 -0.360 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000582195911 1071076851 /nfs/dbraw/zinc/07/68/51/1071076851.db2.gz YSRGISIQNCVVGX-SFHVURJKSA-N 2 2 444.580 -0.360 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000582374463 1071085839 /nfs/dbraw/zinc/08/58/39/1071085839.db2.gz QDILRBGGBZCFNJ-KRWDZBQOSA-N 2 2 445.564 -0.150 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000582374463 1071085820 /nfs/dbraw/zinc/08/58/20/1071085820.db2.gz QDILRBGGBZCFNJ-KRWDZBQOSA-N 2 2 445.564 -0.150 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000582374464 1071086042 /nfs/dbraw/zinc/08/60/42/1071086042.db2.gz QDILRBGGBZCFNJ-QGZVFWFLSA-N 2 2 445.564 -0.150 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000582374464 1071086036 /nfs/dbraw/zinc/08/60/36/1071086036.db2.gz QDILRBGGBZCFNJ-QGZVFWFLSA-N 2 2 445.564 -0.150 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)CN1CC[NH+](C)CC1 ZINC000582792830 1071123611 /nfs/dbraw/zinc/12/36/11/1071123611.db2.gz GSYZPMOLLDYGKB-FQEVSTJZSA-N 2 2 436.645 -0.138 20 0 IBADLP C[C@H](CNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)CN1CC[NH+](C)CC1 ZINC000582792831 1071123669 /nfs/dbraw/zinc/12/36/69/1071123669.db2.gz GSYZPMOLLDYGKB-HXUWFJFHSA-N 2 2 436.645 -0.138 20 0 IBADLP Cn1cc(CN2CCN(C(=O)C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2)cn1 ZINC000582922428 1071134109 /nfs/dbraw/zinc/13/41/09/1071134109.db2.gz WUJFJJLIUXXEDO-UHFFFAOYSA-N 2 2 431.585 -0.261 20 0 IBADLP CC1CC[NH+](CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000583029787 1071144032 /nfs/dbraw/zinc/14/40/32/1071144032.db2.gz AXHOJARMPXPDEV-UHFFFAOYSA-N 2 2 445.568 -0.190 20 0 IBADLP CC1CC[NH+](CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000583029787 1071144026 /nfs/dbraw/zinc/14/40/26/1071144026.db2.gz AXHOJARMPXPDEV-UHFFFAOYSA-N 2 2 445.568 -0.190 20 0 IBADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398902 1071163647 /nfs/dbraw/zinc/16/36/47/1071163647.db2.gz OYFRRIVLYLVXMI-CEXWTWQISA-N 2 2 440.585 -0.060 20 0 IBADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398902 1071163641 /nfs/dbraw/zinc/16/36/41/1071163641.db2.gz OYFRRIVLYLVXMI-CEXWTWQISA-N 2 2 440.585 -0.060 20 0 IBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398902 1071163635 /nfs/dbraw/zinc/16/36/35/1071163635.db2.gz OYFRRIVLYLVXMI-CEXWTWQISA-N 2 2 440.585 -0.060 20 0 IBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398902 1071163605 /nfs/dbraw/zinc/16/36/05/1071163605.db2.gz OYFRRIVLYLVXMI-CEXWTWQISA-N 2 2 440.585 -0.060 20 0 IBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398903 1071163840 /nfs/dbraw/zinc/16/38/40/1071163840.db2.gz OYFRRIVLYLVXMI-FHWLQOOXSA-N 2 2 440.585 -0.060 20 0 IBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398903 1071163835 /nfs/dbraw/zinc/16/38/35/1071163835.db2.gz OYFRRIVLYLVXMI-FHWLQOOXSA-N 2 2 440.585 -0.060 20 0 IBADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398904 1071163954 /nfs/dbraw/zinc/16/39/54/1071163954.db2.gz OYFRRIVLYLVXMI-OTWHNJEPSA-N 2 2 440.585 -0.060 20 0 IBADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398904 1071163950 /nfs/dbraw/zinc/16/39/50/1071163950.db2.gz OYFRRIVLYLVXMI-OTWHNJEPSA-N 2 2 440.585 -0.060 20 0 IBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398904 1071163944 /nfs/dbraw/zinc/16/39/44/1071163944.db2.gz OYFRRIVLYLVXMI-OTWHNJEPSA-N 2 2 440.585 -0.060 20 0 IBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398904 1071163942 /nfs/dbraw/zinc/16/39/42/1071163942.db2.gz OYFRRIVLYLVXMI-OTWHNJEPSA-N 2 2 440.585 -0.060 20 0 IBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000583398905 1071164003 /nfs/dbraw/zinc/16/40/03/1071164003.db2.gz OYFRRIVLYLVXMI-QRVBRYPASA-N 2 2 440.585 -0.060 20 0 IBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000583398905 1071163997 /nfs/dbraw/zinc/16/39/97/1071163997.db2.gz OYFRRIVLYLVXMI-QRVBRYPASA-N 2 2 440.585 -0.060 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000583617222 1071180719 /nfs/dbraw/zinc/18/07/19/1071180719.db2.gz VILYNMCWYUZXOU-INIZCTEOSA-N 2 2 425.574 -0.603 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000583617222 1071180712 /nfs/dbraw/zinc/18/07/12/1071180712.db2.gz VILYNMCWYUZXOU-INIZCTEOSA-N 2 2 425.574 -0.603 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000583617223 1071181375 /nfs/dbraw/zinc/18/13/75/1071181375.db2.gz VILYNMCWYUZXOU-MRXNPFEDSA-N 2 2 425.574 -0.603 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000583617223 1071181368 /nfs/dbraw/zinc/18/13/68/1071181368.db2.gz VILYNMCWYUZXOU-MRXNPFEDSA-N 2 2 425.574 -0.603 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000583707584 1071197489 /nfs/dbraw/zinc/19/74/89/1071197489.db2.gz HXJMHZXQXKAYHE-IBGZPJMESA-N 2 2 432.554 -0.435 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000583707585 1071197374 /nfs/dbraw/zinc/19/73/74/1071197374.db2.gz HXJMHZXQXKAYHE-LJQANCHMSA-N 2 2 432.554 -0.435 20 0 IBADLP CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000584282850 1071219677 /nfs/dbraw/zinc/21/96/77/1071219677.db2.gz SLOJMBKJXGJJRJ-GOSISDBHSA-N 2 2 443.614 -0.410 20 0 IBADLP CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000584282851 1071219769 /nfs/dbraw/zinc/21/97/69/1071219769.db2.gz SLOJMBKJXGJJRJ-SFHVURJKSA-N 2 2 443.614 -0.410 20 0 IBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C[N@H+]1C1CC1 ZINC000584316874 1071265965 /nfs/dbraw/zinc/26/59/65/1071265965.db2.gz LUABOASHGUJYND-DLBZAZTESA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C[N@@H+]1C1CC1 ZINC000584316874 1071265952 /nfs/dbraw/zinc/26/59/52/1071265952.db2.gz LUABOASHGUJYND-DLBZAZTESA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000584316874 1071265939 /nfs/dbraw/zinc/26/59/39/1071265939.db2.gz LUABOASHGUJYND-DLBZAZTESA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000584316874 1071265925 /nfs/dbraw/zinc/26/59/25/1071265925.db2.gz LUABOASHGUJYND-DLBZAZTESA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C[N@H+]1C1CC1 ZINC000584316875 1071220740 /nfs/dbraw/zinc/22/07/40/1071220740.db2.gz LUABOASHGUJYND-IAGOWNOFSA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C[N@@H+]1C1CC1 ZINC000584316875 1071220731 /nfs/dbraw/zinc/22/07/31/1071220731.db2.gz LUABOASHGUJYND-IAGOWNOFSA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000584316875 1071220718 /nfs/dbraw/zinc/22/07/18/1071220718.db2.gz LUABOASHGUJYND-IAGOWNOFSA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000584316875 1071220711 /nfs/dbraw/zinc/22/07/11/1071220711.db2.gz LUABOASHGUJYND-IAGOWNOFSA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C[N@H+]1C1CC1 ZINC000584316876 1071220492 /nfs/dbraw/zinc/22/04/92/1071220492.db2.gz LUABOASHGUJYND-IRXDYDNUSA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C[N@@H+]1C1CC1 ZINC000584316876 1071220480 /nfs/dbraw/zinc/22/04/80/1071220480.db2.gz LUABOASHGUJYND-IRXDYDNUSA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000584316876 1071220474 /nfs/dbraw/zinc/22/04/74/1071220474.db2.gz LUABOASHGUJYND-IRXDYDNUSA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000584316876 1071220461 /nfs/dbraw/zinc/22/04/61/1071220461.db2.gz LUABOASHGUJYND-IRXDYDNUSA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C[N@H+]1C1CC1 ZINC000584316877 1071266130 /nfs/dbraw/zinc/26/61/30/1071266130.db2.gz LUABOASHGUJYND-SJORKVTESA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C[N@@H+]1C1CC1 ZINC000584316877 1071266124 /nfs/dbraw/zinc/26/61/24/1071266124.db2.gz LUABOASHGUJYND-SJORKVTESA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000584316877 1071266115 /nfs/dbraw/zinc/26/61/15/1071266115.db2.gz LUABOASHGUJYND-SJORKVTESA-N 2 2 443.552 -0.297 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000584316877 1071266107 /nfs/dbraw/zinc/26/61/07/1071266107.db2.gz LUABOASHGUJYND-SJORKVTESA-N 2 2 443.552 -0.297 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(CC(=O)N4CCCC4)CC3)CC2)CC1 ZINC000584427381 1071223874 /nfs/dbraw/zinc/22/38/74/1071223874.db2.gz SNQSWPZNAFCBDE-UHFFFAOYSA-N 2 2 448.612 -0.572 20 0 IBADLP C[NH+](C)CCn1ccc(=NC(=O)c2ccc(C(=O)N=c3ccn(CC[NH+](C)C)[nH]3)nc2)[nH]1 ZINC000588036698 1072166855 /nfs/dbraw/zinc/16/68/55/1072166855.db2.gz RBBJVCMKYXUQCJ-UHFFFAOYSA-N 2 2 439.524 -0.054 20 0 IBADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000588236323 1072174845 /nfs/dbraw/zinc/17/48/45/1072174845.db2.gz BMGCCTHVRLENLP-CTNGQTDRSA-N 3 2 434.629 -0.102 20 0 IBADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000588236323 1072174837 /nfs/dbraw/zinc/17/48/37/1072174837.db2.gz BMGCCTHVRLENLP-CTNGQTDRSA-N 3 2 434.629 -0.102 20 0 IBADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000588236324 1072174674 /nfs/dbraw/zinc/17/46/74/1072174674.db2.gz BMGCCTHVRLENLP-FPOVZHCZSA-N 3 2 434.629 -0.102 20 0 IBADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000588236324 1072174671 /nfs/dbraw/zinc/17/46/71/1072174671.db2.gz BMGCCTHVRLENLP-FPOVZHCZSA-N 3 2 434.629 -0.102 20 0 IBADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000588236325 1072175074 /nfs/dbraw/zinc/17/50/74/1072175074.db2.gz BMGCCTHVRLENLP-PZJWPPBQSA-N 3 2 434.629 -0.102 20 0 IBADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000588236325 1072175071 /nfs/dbraw/zinc/17/50/71/1072175071.db2.gz BMGCCTHVRLENLP-PZJWPPBQSA-N 3 2 434.629 -0.102 20 0 IBADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000588236326 1072174745 /nfs/dbraw/zinc/17/47/45/1072174745.db2.gz BMGCCTHVRLENLP-TZIWHRDSSA-N 3 2 434.629 -0.102 20 0 IBADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000588236326 1072174741 /nfs/dbraw/zinc/17/47/41/1072174741.db2.gz BMGCCTHVRLENLP-TZIWHRDSSA-N 3 2 434.629 -0.102 20 0 IBADLP COCC[N@@H+](C)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000588971709 1072188506 /nfs/dbraw/zinc/18/85/06/1072188506.db2.gz RURCIZWAIQQTRC-UHFFFAOYSA-N 2 2 428.559 -0.589 20 0 IBADLP COCC[N@H+](C)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000588971709 1072188499 /nfs/dbraw/zinc/18/84/99/1072188499.db2.gz RURCIZWAIQQTRC-UHFFFAOYSA-N 2 2 428.559 -0.589 20 0 IBADLP COCCC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000588980863 1072188716 /nfs/dbraw/zinc/18/87/16/1072188716.db2.gz GFXHRVKQUMPGBG-UHFFFAOYSA-N 2 2 446.618 -0.693 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCN3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC000589250481 1072196018 /nfs/dbraw/zinc/19/60/18/1072196018.db2.gz KMMUVLVPSBCMLW-UHFFFAOYSA-N 2 2 430.619 -0.579 20 0 IBADLP O=C(CSCC(=O)N1CC(C[NH+]2CCOCC2)C1)N1CC(C[NH+]2CCOCC2)C1 ZINC000590557758 1072216341 /nfs/dbraw/zinc/21/63/41/1072216341.db2.gz IQWOYQYZMQKHIL-UHFFFAOYSA-N 2 2 426.583 -0.699 20 0 IBADLP C[NH+]1CCN(C(=O)CCNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000591557547 1072232613 /nfs/dbraw/zinc/23/26/13/1072232613.db2.gz HISOZZXXWVJCCH-UHFFFAOYSA-N 2 2 432.573 -0.158 20 0 IBADLP COCCN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000591561227 1072233124 /nfs/dbraw/zinc/23/31/24/1072233124.db2.gz CKDVQKHIGDSTQO-UHFFFAOYSA-N 2 2 442.586 -0.247 20 0 IBADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000591617243 1072234212 /nfs/dbraw/zinc/23/42/12/1072234212.db2.gz KDEYSVBCGQKDPR-GOSISDBHSA-N 2 2 430.619 -0.074 20 0 IBADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000591617243 1072234209 /nfs/dbraw/zinc/23/42/09/1072234209.db2.gz KDEYSVBCGQKDPR-GOSISDBHSA-N 2 2 430.619 -0.074 20 0 IBADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000591617244 1072234151 /nfs/dbraw/zinc/23/41/51/1072234151.db2.gz KDEYSVBCGQKDPR-SFHVURJKSA-N 2 2 430.619 -0.074 20 0 IBADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000591617244 1072234143 /nfs/dbraw/zinc/23/41/43/1072234143.db2.gz KDEYSVBCGQKDPR-SFHVURJKSA-N 2 2 430.619 -0.074 20 0 IBADLP O=C(COCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000591797191 1072238900 /nfs/dbraw/zinc/23/89/00/1072238900.db2.gz GCFBVOGWLRGLGC-PMACEKPBSA-N 2 2 438.569 -0.351 20 0 IBADLP O=C(COCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000591797193 1072238928 /nfs/dbraw/zinc/23/89/28/1072238928.db2.gz GCFBVOGWLRGLGC-WOJBJXKFSA-N 2 2 438.569 -0.351 20 0 IBADLP CN(C(=O)COc1ccc(C(N)=O)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082300 1072243257 /nfs/dbraw/zinc/24/32/57/1072243257.db2.gz BZJDWHQXFALAMJ-UHFFFAOYSA-N 2 2 431.537 -0.139 20 0 IBADLP CCC(=O)N1CSC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082330 1072243308 /nfs/dbraw/zinc/24/33/08/1072243308.db2.gz HAWPZJAYDFYFJV-KRWDZBQOSA-N 2 2 425.599 -0.005 20 0 IBADLP CCC(=O)N1CSC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082331 1072243330 /nfs/dbraw/zinc/24/33/30/1072243330.db2.gz HAWPZJAYDFYFJV-QGZVFWFLSA-N 2 2 425.599 -0.005 20 0 IBADLP COCCn1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)ccc1=O ZINC000592082652 1072243216 /nfs/dbraw/zinc/24/32/16/1072243216.db2.gz OXGUMQHXPYJLGZ-UHFFFAOYSA-N 2 2 433.553 -0.195 20 0 IBADLP C[C@H](C(=O)N(C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000592082890 1072243285 /nfs/dbraw/zinc/24/32/85/1072243285.db2.gz WUCRUSUXKMYMCE-GOSISDBHSA-N 2 2 447.584 -0.401 20 0 IBADLP C[C@@H](C(=O)N(C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000592082899 1072243920 /nfs/dbraw/zinc/24/39/20/1072243920.db2.gz WUCRUSUXKMYMCE-SFHVURJKSA-N 2 2 447.584 -0.401 20 0 IBADLP CN(C(=O)CS(=O)(=O)NC(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592083004 1072243353 /nfs/dbraw/zinc/24/33/53/1072243353.db2.gz ZSGANEYXWJVPQR-UHFFFAOYSA-N 2 2 431.603 -0.599 20 0 IBADLP CN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592086016 1072243954 /nfs/dbraw/zinc/24/39/54/1072243954.db2.gz FZSFADBUZYFKFJ-JOCHJYFZSA-N 2 2 448.568 -0.596 20 0 IBADLP CN(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592086022 1072244017 /nfs/dbraw/zinc/24/40/17/1072244017.db2.gz FZSFADBUZYFKFJ-QFIPXVFZSA-N 2 2 448.568 -0.596 20 0 IBADLP CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592086052 1072243874 /nfs/dbraw/zinc/24/38/74/1072243874.db2.gz GNGKGDZOPGWDKZ-KRWDZBQOSA-N 2 2 429.587 -0.893 20 0 IBADLP CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592086056 1072244091 /nfs/dbraw/zinc/24/40/91/1072244091.db2.gz GNGKGDZOPGWDKZ-QGZVFWFLSA-N 2 2 429.587 -0.893 20 0 IBADLP CN(C(=O)c1ccccc1OCC(N)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592086770 1072244104 /nfs/dbraw/zinc/24/41/04/1072244104.db2.gz UNZTUKZSJZWUFK-UHFFFAOYSA-N 2 2 431.537 -0.139 20 0 IBADLP CN(C(=O)[C@H]1CCCCN1S(C)(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592086808 1072244117 /nfs/dbraw/zinc/24/41/17/1072244117.db2.gz WCAIHZXENDXKFG-GOSISDBHSA-N 2 2 443.614 -0.503 20 0 IBADLP CN(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592086813 1072243939 /nfs/dbraw/zinc/24/39/39/1072243939.db2.gz WCAIHZXENDXKFG-SFHVURJKSA-N 2 2 443.614 -0.503 20 0 IBADLP CN(C(=O)c1ccccc1-n1cnnn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592087049 1072244079 /nfs/dbraw/zinc/24/40/79/1072244079.db2.gz ZEKVXTYNAMTCBM-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP CN(C(=O)Cn1nc2ccccn2c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592087052 1072243857 /nfs/dbraw/zinc/24/38/57/1072243857.db2.gz ZNOPEMFNMYFJPZ-UHFFFAOYSA-N 2 2 429.525 -0.807 20 0 IBADLP CN(C(=O)Cn1nnc2ccccc2c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592087056 1072244061 /nfs/dbraw/zinc/24/40/61/1072244061.db2.gz ZTJUPHKCNIMBPI-UHFFFAOYSA-N 2 2 441.536 -0.512 20 0 IBADLP CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592089058 1072243978 /nfs/dbraw/zinc/24/39/78/1072243978.db2.gz OUDGWECDUQZZHP-UHFFFAOYSA-N 2 2 448.568 -0.452 20 0 IBADLP CN(C(=O)CNC(=O)COc1ccccc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592316993 1072245052 /nfs/dbraw/zinc/24/50/52/1072245052.db2.gz PUXYLQQBTIQEHE-UHFFFAOYSA-N 2 2 445.564 -0.122 20 0 IBADLP O=C(COCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000592410860 1072246231 /nfs/dbraw/zinc/24/62/31/1072246231.db2.gz MGZAVEJNBDZNOT-JVSBHGNQSA-N 2 2 438.569 -0.882 20 0 IBADLP O=C(COCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000592410861 1072246263 /nfs/dbraw/zinc/24/62/63/1072246263.db2.gz MGZAVEJNBDZNOT-WTGUMLROSA-N 2 2 438.569 -0.882 20 0 IBADLP O=C(COCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000592410862 1072246100 /nfs/dbraw/zinc/24/61/00/1072246100.db2.gz MGZAVEJNBDZNOT-YRPNKDGESA-N 2 2 438.569 -0.882 20 0 IBADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000595571960 1072269617 /nfs/dbraw/zinc/26/96/17/1072269617.db2.gz XEDKGOKZZJGQON-UHFFFAOYSA-N 2 2 444.624 -0.032 20 0 IBADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000595571960 1072269604 /nfs/dbraw/zinc/26/96/04/1072269604.db2.gz XEDKGOKZZJGQON-UHFFFAOYSA-N 2 2 444.624 -0.032 20 0 IBADLP C[NH+]1CCN(CC(=O)NC[C@H](Cc2ccccc2)NC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000600974558 1071223983 /nfs/dbraw/zinc/22/39/83/1071223983.db2.gz QIRBBTQSKYPCJS-NRFANRHFSA-N 2 2 430.597 -0.675 20 0 IBADLP C[NH+]1CCN(CC(=O)NC[C@@H](Cc2ccccc2)NC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000600974563 1072550074 /nfs/dbraw/zinc/55/00/74/1072550074.db2.gz QIRBBTQSKYPCJS-OAQYLSRUSA-N 2 2 430.597 -0.675 20 0 IBADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000601407002 1072275601 /nfs/dbraw/zinc/27/56/01/1072275601.db2.gz LHTNSOWOCPDDBK-IBGZPJMESA-N 2 2 430.553 -0.235 20 0 IBADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000601407002 1072275593 /nfs/dbraw/zinc/27/55/93/1072275593.db2.gz LHTNSOWOCPDDBK-IBGZPJMESA-N 2 2 430.553 -0.235 20 0 IBADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000601407003 1072275430 /nfs/dbraw/zinc/27/54/30/1072275430.db2.gz LHTNSOWOCPDDBK-LJQANCHMSA-N 2 2 430.553 -0.235 20 0 IBADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000601407003 1072275420 /nfs/dbraw/zinc/27/54/20/1072275420.db2.gz LHTNSOWOCPDDBK-LJQANCHMSA-N 2 2 430.553 -0.235 20 0 IBADLP CN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476924 1072276579 /nfs/dbraw/zinc/27/65/79/1072276579.db2.gz CPKCLIURWGIROR-BPQIPLTHSA-N 2 2 426.583 -0.351 20 0 IBADLP CN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476924 1072276570 /nfs/dbraw/zinc/27/65/70/1072276570.db2.gz CPKCLIURWGIROR-BPQIPLTHSA-N 2 2 426.583 -0.351 20 0 IBADLP CN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476925 1072276772 /nfs/dbraw/zinc/27/67/72/1072276772.db2.gz CPKCLIURWGIROR-NJAFHUGGSA-N 2 2 426.583 -0.351 20 0 IBADLP CN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476925 1072276764 /nfs/dbraw/zinc/27/67/64/1072276764.db2.gz CPKCLIURWGIROR-NJAFHUGGSA-N 2 2 426.583 -0.351 20 0 IBADLP CN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476926 1071388915 /nfs/dbraw/zinc/38/89/15/1071388915.db2.gz CPKCLIURWGIROR-RYQLBKOJSA-N 2 2 426.583 -0.351 20 0 IBADLP CN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476926 1071388896 /nfs/dbraw/zinc/38/88/96/1071388896.db2.gz CPKCLIURWGIROR-RYQLBKOJSA-N 2 2 426.583 -0.351 20 0 IBADLP CN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476927 1072276720 /nfs/dbraw/zinc/27/67/20/1072276720.db2.gz CPKCLIURWGIROR-SZMVWBNQSA-N 2 2 426.583 -0.351 20 0 IBADLP CN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476927 1072276714 /nfs/dbraw/zinc/27/67/14/1072276714.db2.gz CPKCLIURWGIROR-SZMVWBNQSA-N 2 2 426.583 -0.351 20 0 IBADLP CN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479407 1072276630 /nfs/dbraw/zinc/27/66/30/1072276630.db2.gz YLZLKWPPOLSYCE-INIZCTEOSA-N 2 2 431.541 -0.549 20 0 IBADLP CN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479407 1072276620 /nfs/dbraw/zinc/27/66/20/1072276620.db2.gz YLZLKWPPOLSYCE-INIZCTEOSA-N 2 2 431.541 -0.549 20 0 IBADLP CN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479412 1072276524 /nfs/dbraw/zinc/27/65/24/1072276524.db2.gz YLZLKWPPOLSYCE-MRXNPFEDSA-N 2 2 431.541 -0.549 20 0 IBADLP CN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479412 1072276514 /nfs/dbraw/zinc/27/65/14/1072276514.db2.gz YLZLKWPPOLSYCE-MRXNPFEDSA-N 2 2 431.541 -0.549 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2)CC1 ZINC000602199190 1072284835 /nfs/dbraw/zinc/28/48/35/1072284835.db2.gz GKXYGQKEEJQNOP-KRWDZBQOSA-N 2 2 449.577 -0.295 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2)CC1 ZINC000602199190 1072284833 /nfs/dbraw/zinc/28/48/33/1072284833.db2.gz GKXYGQKEEJQNOP-KRWDZBQOSA-N 2 2 449.577 -0.295 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2)CC1 ZINC000602199197 1072284574 /nfs/dbraw/zinc/28/45/74/1072284574.db2.gz GKXYGQKEEJQNOP-QGZVFWFLSA-N 2 2 449.577 -0.295 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2)CC1 ZINC000602199197 1072284565 /nfs/dbraw/zinc/28/45/65/1072284565.db2.gz GKXYGQKEEJQNOP-QGZVFWFLSA-N 2 2 449.577 -0.295 20 0 IBADLP Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602204441 1072284648 /nfs/dbraw/zinc/28/46/48/1072284648.db2.gz IEUBTGYEZBCJEH-INIZCTEOSA-N 2 2 439.582 -0.056 20 0 IBADLP Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602204441 1072284638 /nfs/dbraw/zinc/28/46/38/1072284638.db2.gz IEUBTGYEZBCJEH-INIZCTEOSA-N 2 2 439.582 -0.056 20 0 IBADLP Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602204443 1072284913 /nfs/dbraw/zinc/28/49/13/1072284913.db2.gz IEUBTGYEZBCJEH-MRXNPFEDSA-N 2 2 439.582 -0.056 20 0 IBADLP Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602204443 1072284904 /nfs/dbraw/zinc/28/49/04/1072284904.db2.gz IEUBTGYEZBCJEH-MRXNPFEDSA-N 2 2 439.582 -0.056 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)C2)CC1 ZINC000602204733 1072284807 /nfs/dbraw/zinc/28/48/07/1072284807.db2.gz YBVPQTGBLDYEIT-CYBMUJFWSA-N 2 2 437.522 -0.473 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)C2)CC1 ZINC000602204733 1072284802 /nfs/dbraw/zinc/28/48/02/1072284802.db2.gz YBVPQTGBLDYEIT-CYBMUJFWSA-N 2 2 437.522 -0.473 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)C2)CC1 ZINC000602204734 1072284697 /nfs/dbraw/zinc/28/46/97/1072284697.db2.gz YBVPQTGBLDYEIT-ZDUSSCGKSA-N 2 2 437.522 -0.473 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)C2)CC1 ZINC000602204734 1072284689 /nfs/dbraw/zinc/28/46/89/1072284689.db2.gz YBVPQTGBLDYEIT-ZDUSSCGKSA-N 2 2 437.522 -0.473 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C2)CC1 ZINC000602204928 1072284739 /nfs/dbraw/zinc/28/47/39/1072284739.db2.gz ZEKWLTLODIMGJT-KRWDZBQOSA-N 2 2 449.577 -0.295 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C2)CC1 ZINC000602204928 1072284733 /nfs/dbraw/zinc/28/47/33/1072284733.db2.gz ZEKWLTLODIMGJT-KRWDZBQOSA-N 2 2 449.577 -0.295 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C2)CC1 ZINC000602204930 1072284869 /nfs/dbraw/zinc/28/48/69/1072284869.db2.gz ZEKWLTLODIMGJT-QGZVFWFLSA-N 2 2 449.577 -0.295 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C2)CC1 ZINC000602204930 1072284863 /nfs/dbraw/zinc/28/48/63/1072284863.db2.gz ZEKWLTLODIMGJT-QGZVFWFLSA-N 2 2 449.577 -0.295 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000604188961 1072313117 /nfs/dbraw/zinc/31/31/17/1072313117.db2.gz BHBKOCJFYWQNLT-GOSISDBHSA-N 2 2 444.584 -0.017 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000604188961 1072313112 /nfs/dbraw/zinc/31/31/12/1072313112.db2.gz BHBKOCJFYWQNLT-GOSISDBHSA-N 2 2 444.584 -0.017 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000604188962 1072313628 /nfs/dbraw/zinc/31/36/28/1072313628.db2.gz BHBKOCJFYWQNLT-SFHVURJKSA-N 2 2 444.584 -0.017 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000604188962 1072313624 /nfs/dbraw/zinc/31/36/24/1072313624.db2.gz BHBKOCJFYWQNLT-SFHVURJKSA-N 2 2 444.584 -0.017 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)C2)CC1 ZINC000604195670 1072313689 /nfs/dbraw/zinc/31/36/89/1072313689.db2.gz VCDQWIWFVDTPNP-AEFFLSMTSA-N 2 2 431.603 -0.057 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)C2)CC1 ZINC000604195670 1072313685 /nfs/dbraw/zinc/31/36/85/1072313685.db2.gz VCDQWIWFVDTPNP-AEFFLSMTSA-N 2 2 431.603 -0.057 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)C2)CC1 ZINC000604195671 1072313490 /nfs/dbraw/zinc/31/34/90/1072313490.db2.gz VCDQWIWFVDTPNP-FUHWJXTLSA-N 2 2 431.603 -0.057 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)C2)CC1 ZINC000604195671 1072313486 /nfs/dbraw/zinc/31/34/86/1072313486.db2.gz VCDQWIWFVDTPNP-FUHWJXTLSA-N 2 2 431.603 -0.057 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)C2)CC1 ZINC000604195672 1072313565 /nfs/dbraw/zinc/31/35/65/1072313565.db2.gz VCDQWIWFVDTPNP-SJLPKXTDSA-N 2 2 431.603 -0.057 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)C2)CC1 ZINC000604195672 1072313558 /nfs/dbraw/zinc/31/35/58/1072313558.db2.gz VCDQWIWFVDTPNP-SJLPKXTDSA-N 2 2 431.603 -0.057 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)C2)CC1 ZINC000604195673 1072313664 /nfs/dbraw/zinc/31/36/64/1072313664.db2.gz VCDQWIWFVDTPNP-WMZOPIPTSA-N 2 2 431.603 -0.057 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)C2)CC1 ZINC000604195673 1072313659 /nfs/dbraw/zinc/31/36/59/1072313659.db2.gz VCDQWIWFVDTPNP-WMZOPIPTSA-N 2 2 431.603 -0.057 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604207422 1072314154 /nfs/dbraw/zinc/31/41/54/1072314154.db2.gz DSINPZROEFILGB-KRWDZBQOSA-N 2 2 444.602 -0.941 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604207422 1072314149 /nfs/dbraw/zinc/31/41/49/1072314149.db2.gz DSINPZROEFILGB-KRWDZBQOSA-N 2 2 444.602 -0.941 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604207423 1072314114 /nfs/dbraw/zinc/31/41/14/1072314114.db2.gz DSINPZROEFILGB-QGZVFWFLSA-N 2 2 444.602 -0.941 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604207423 1072314109 /nfs/dbraw/zinc/31/41/09/1072314109.db2.gz DSINPZROEFILGB-QGZVFWFLSA-N 2 2 444.602 -0.941 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)C2)CC1 ZINC000604209356 1072314594 /nfs/dbraw/zinc/31/45/94/1072314594.db2.gz UBPAXWWHSFFKFJ-INIZCTEOSA-N 2 2 434.541 -0.842 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)C2)CC1 ZINC000604209356 1072314585 /nfs/dbraw/zinc/31/45/85/1072314585.db2.gz UBPAXWWHSFFKFJ-INIZCTEOSA-N 2 2 434.541 -0.842 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)C2)CC1 ZINC000604209357 1072314703 /nfs/dbraw/zinc/31/47/03/1072314703.db2.gz UBPAXWWHSFFKFJ-MRXNPFEDSA-N 2 2 434.541 -0.842 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)C2)CC1 ZINC000604209357 1072314690 /nfs/dbraw/zinc/31/46/90/1072314690.db2.gz UBPAXWWHSFFKFJ-MRXNPFEDSA-N 2 2 434.541 -0.842 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000604385486 1071452345 /nfs/dbraw/zinc/45/23/45/1071452345.db2.gz ALPHGAVLFCHYCV-MSOLQXFVSA-N 2 2 428.541 -0.457 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000604385487 1072319482 /nfs/dbraw/zinc/31/94/82/1072319482.db2.gz ALPHGAVLFCHYCV-QZTJIDSGSA-N 2 2 428.541 -0.457 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000604385488 1072319416 /nfs/dbraw/zinc/31/94/16/1072319416.db2.gz ALPHGAVLFCHYCV-ROUUACIJSA-N 2 2 428.541 -0.457 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000604385489 1072319328 /nfs/dbraw/zinc/31/93/28/1072319328.db2.gz ALPHGAVLFCHYCV-ZWKOTPCHSA-N 2 2 428.541 -0.457 20 0 IBADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643953 1072326810 /nfs/dbraw/zinc/32/68/10/1072326810.db2.gz KTEZVCKZFQDISX-AZUAARDMSA-N 2 2 427.615 -0.100 20 0 IBADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643953 1072326801 /nfs/dbraw/zinc/32/68/01/1072326801.db2.gz KTEZVCKZFQDISX-AZUAARDMSA-N 2 2 427.615 -0.100 20 0 IBADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643954 1072326700 /nfs/dbraw/zinc/32/67/00/1072326700.db2.gz KTEZVCKZFQDISX-ICSRJNTNSA-N 2 2 427.615 -0.100 20 0 IBADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643954 1072326695 /nfs/dbraw/zinc/32/66/95/1072326695.db2.gz KTEZVCKZFQDISX-ICSRJNTNSA-N 2 2 427.615 -0.100 20 0 IBADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643955 1072326590 /nfs/dbraw/zinc/32/65/90/1072326590.db2.gz KTEZVCKZFQDISX-QUCCMNQESA-N 2 2 427.615 -0.100 20 0 IBADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643955 1072326584 /nfs/dbraw/zinc/32/65/84/1072326584.db2.gz KTEZVCKZFQDISX-QUCCMNQESA-N 2 2 427.615 -0.100 20 0 IBADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643956 1072327056 /nfs/dbraw/zinc/32/70/56/1072327056.db2.gz KTEZVCKZFQDISX-UYAOXDASSA-N 2 2 427.615 -0.100 20 0 IBADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643956 1072327048 /nfs/dbraw/zinc/32/70/48/1072327048.db2.gz KTEZVCKZFQDISX-UYAOXDASSA-N 2 2 427.615 -0.100 20 0 IBADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC000604668020 1072324956 /nfs/dbraw/zinc/32/49/56/1072324956.db2.gz PWECVJXERHSRJY-FQEVSTJZSA-N 2 2 436.601 -0.412 20 0 IBADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC000604668020 1072324942 /nfs/dbraw/zinc/32/49/42/1072324942.db2.gz PWECVJXERHSRJY-FQEVSTJZSA-N 2 2 436.601 -0.412 20 0 IBADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC000604668021 1072325345 /nfs/dbraw/zinc/32/53/45/1072325345.db2.gz PWECVJXERHSRJY-HXUWFJFHSA-N 2 2 436.601 -0.412 20 0 IBADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC000604668021 1072325335 /nfs/dbraw/zinc/32/53/35/1072325335.db2.gz PWECVJXERHSRJY-HXUWFJFHSA-N 2 2 436.601 -0.412 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604668360 1072324906 /nfs/dbraw/zinc/32/49/06/1072324906.db2.gz ZDMDCMDJGNCLLK-FQEVSTJZSA-N 2 2 438.617 -0.021 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668360 1072324898 /nfs/dbraw/zinc/32/48/98/1072324898.db2.gz ZDMDCMDJGNCLLK-FQEVSTJZSA-N 2 2 438.617 -0.021 20 0 IBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604668360 1072324888 /nfs/dbraw/zinc/32/48/88/1072324888.db2.gz ZDMDCMDJGNCLLK-FQEVSTJZSA-N 2 2 438.617 -0.021 20 0 IBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604668360 1072324880 /nfs/dbraw/zinc/32/48/80/1072324880.db2.gz ZDMDCMDJGNCLLK-FQEVSTJZSA-N 2 2 438.617 -0.021 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604668361 1072325292 /nfs/dbraw/zinc/32/52/92/1072325292.db2.gz ZDMDCMDJGNCLLK-HXUWFJFHSA-N 2 2 438.617 -0.021 20 0 IBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668361 1072325282 /nfs/dbraw/zinc/32/52/82/1072325282.db2.gz ZDMDCMDJGNCLLK-HXUWFJFHSA-N 2 2 438.617 -0.021 20 0 IBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604668361 1072325271 /nfs/dbraw/zinc/32/52/71/1072325271.db2.gz ZDMDCMDJGNCLLK-HXUWFJFHSA-N 2 2 438.617 -0.021 20 0 IBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000604668361 1072325260 /nfs/dbraw/zinc/32/52/60/1072325260.db2.gz ZDMDCMDJGNCLLK-HXUWFJFHSA-N 2 2 438.617 -0.021 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604669242 1072325961 /nfs/dbraw/zinc/32/59/61/1072325961.db2.gz XUSDULFWMSMPSX-KRWDZBQOSA-N 2 2 443.556 -0.399 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604669242 1072325956 /nfs/dbraw/zinc/32/59/56/1072325956.db2.gz XUSDULFWMSMPSX-KRWDZBQOSA-N 2 2 443.556 -0.399 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604669243 1072326096 /nfs/dbraw/zinc/32/60/96/1072326096.db2.gz XUSDULFWMSMPSX-QGZVFWFLSA-N 2 2 443.556 -0.399 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604669243 1072326092 /nfs/dbraw/zinc/32/60/92/1072326092.db2.gz XUSDULFWMSMPSX-QGZVFWFLSA-N 2 2 443.556 -0.399 20 0 IBADLP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000605246334 1072338379 /nfs/dbraw/zinc/33/83/79/1072338379.db2.gz VRCVCHCNRQUDIR-UHFFFAOYSA-N 2 2 435.525 -0.284 20 0 IBADLP COCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000605246334 1072338370 /nfs/dbraw/zinc/33/83/70/1072338370.db2.gz VRCVCHCNRQUDIR-UHFFFAOYSA-N 2 2 435.525 -0.284 20 0 IBADLP COCC[N@H+]1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000605852287 1072355954 /nfs/dbraw/zinc/35/59/54/1072355954.db2.gz AOFPGRMUCCFEOQ-KRWDZBQOSA-N 2 2 440.570 -0.447 20 0 IBADLP COCC[N@@H+]1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000605852287 1072355941 /nfs/dbraw/zinc/35/59/41/1072355941.db2.gz AOFPGRMUCCFEOQ-KRWDZBQOSA-N 2 2 440.570 -0.447 20 0 IBADLP COCC[N@H+]1CC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000605852288 1072356047 /nfs/dbraw/zinc/35/60/47/1072356047.db2.gz AOFPGRMUCCFEOQ-QGZVFWFLSA-N 2 2 440.570 -0.447 20 0 IBADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000605852288 1072356032 /nfs/dbraw/zinc/35/60/32/1072356032.db2.gz AOFPGRMUCCFEOQ-QGZVFWFLSA-N 2 2 440.570 -0.447 20 0 IBADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000607053631 1072378827 /nfs/dbraw/zinc/37/88/27/1072378827.db2.gz BWJXWFLWBTYWDG-GOSISDBHSA-N 2 2 431.603 -0.584 20 0 IBADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000607053632 1072378884 /nfs/dbraw/zinc/37/88/84/1072378884.db2.gz BWJXWFLWBTYWDG-SFHVURJKSA-N 2 2 431.603 -0.584 20 0 IBADLP COCC(=O)N[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000607339618 1072384840 /nfs/dbraw/zinc/38/48/40/1072384840.db2.gz GLJDAONJTKHSKJ-FQEVSTJZSA-N 2 2 425.574 -0.530 20 0 IBADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607907064 1072391432 /nfs/dbraw/zinc/39/14/32/1072391432.db2.gz XYIJRMSVCWRNEH-GDBMZVCRSA-N 2 2 426.587 -0.012 20 0 IBADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607907064 1072391424 /nfs/dbraw/zinc/39/14/24/1072391424.db2.gz XYIJRMSVCWRNEH-GDBMZVCRSA-N 2 2 426.587 -0.012 20 0 IBADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607907065 1072391110 /nfs/dbraw/zinc/39/11/10/1072391110.db2.gz XYIJRMSVCWRNEH-GOEBONIOSA-N 2 2 426.587 -0.012 20 0 IBADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607907065 1072391100 /nfs/dbraw/zinc/39/11/00/1072391100.db2.gz XYIJRMSVCWRNEH-GOEBONIOSA-N 2 2 426.587 -0.012 20 0 IBADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607907066 1072391378 /nfs/dbraw/zinc/39/13/78/1072391378.db2.gz XYIJRMSVCWRNEH-HOCLYGCPSA-N 2 2 426.587 -0.012 20 0 IBADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607907066 1072391373 /nfs/dbraw/zinc/39/13/73/1072391373.db2.gz XYIJRMSVCWRNEH-HOCLYGCPSA-N 2 2 426.587 -0.012 20 0 IBADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607907067 1072391251 /nfs/dbraw/zinc/39/12/51/1072391251.db2.gz XYIJRMSVCWRNEH-ZBFHGGJFSA-N 2 2 426.587 -0.012 20 0 IBADLP Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607907067 1072391244 /nfs/dbraw/zinc/39/12/44/1072391244.db2.gz XYIJRMSVCWRNEH-ZBFHGGJFSA-N 2 2 426.587 -0.012 20 0 IBADLP C[NH+]1CCC(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)([NH+]2CCCCC2)CC1 ZINC000608661063 1072401548 /nfs/dbraw/zinc/40/15/48/1072401548.db2.gz HHLBMDXBAJUMGU-UHFFFAOYSA-N 2 2 444.646 -0.187 20 0 IBADLP CC(C)(CO)[NH+]1CCN(C(=O)CSCC(=O)N2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000611515976 1073369370 /nfs/dbraw/zinc/36/93/70/1073369370.db2.gz VWFDQXNCISRVGJ-UHFFFAOYSA-N 2 2 430.615 -0.450 20 0 IBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000611724140 1071126489 /nfs/dbraw/zinc/12/64/89/1071126489.db2.gz GUTPYMWNNFHQTO-GOSISDBHSA-N 2 2 446.618 -0.837 20 0 IBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000611724140 1071126484 /nfs/dbraw/zinc/12/64/84/1071126484.db2.gz GUTPYMWNNFHQTO-GOSISDBHSA-N 2 2 446.618 -0.837 20 0 IBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000611724141 1071126412 /nfs/dbraw/zinc/12/64/12/1071126412.db2.gz GUTPYMWNNFHQTO-SFHVURJKSA-N 2 2 446.618 -0.837 20 0 IBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000611724141 1071126402 /nfs/dbraw/zinc/12/64/02/1071126402.db2.gz GUTPYMWNNFHQTO-SFHVURJKSA-N 2 2 446.618 -0.837 20 0 IBADLP CC1CC[NH+](CCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000612189974 1071264185 /nfs/dbraw/zinc/26/41/85/1071264185.db2.gz MMZLMOMROBBJBK-UHFFFAOYSA-N 2 2 430.619 -0.072 20 0 IBADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000612316498 1071271331 /nfs/dbraw/zinc/27/13/31/1071271331.db2.gz WMGPYITYNRGJDL-HDICACEKSA-N 2 2 446.618 -0.695 20 0 IBADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000612316498 1071271321 /nfs/dbraw/zinc/27/13/21/1071271321.db2.gz WMGPYITYNRGJDL-HDICACEKSA-N 2 2 446.618 -0.695 20 0 IBADLP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000612316500 1071271580 /nfs/dbraw/zinc/27/15/80/1071271580.db2.gz WMGPYITYNRGJDL-QZTJIDSGSA-N 2 2 446.618 -0.695 20 0 IBADLP C[C@H]1C[NH+](CCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000612316501 1071271449 /nfs/dbraw/zinc/27/14/49/1071271449.db2.gz WMGPYITYNRGJDL-ROUUACIJSA-N 2 2 446.618 -0.695 20 0 IBADLP COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1OC ZINC000613996232 1071482172 /nfs/dbraw/zinc/48/21/72/1071482172.db2.gz QWKCAXUUMHHCNQ-HOTGVXAUSA-N 2 2 438.550 -0.312 20 0 IBADLP COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1OC ZINC000613996233 1071482283 /nfs/dbraw/zinc/48/22/83/1071482283.db2.gz QWKCAXUUMHHCNQ-HZPDHXFCSA-N 2 2 438.550 -0.312 20 0 IBADLP COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1OC ZINC000613996234 1071482239 /nfs/dbraw/zinc/48/22/39/1071482239.db2.gz QWKCAXUUMHHCNQ-IYBDPMFKSA-N 2 2 438.550 -0.312 20 0 IBADLP COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1OC ZINC000613996234 1071482232 /nfs/dbraw/zinc/48/22/32/1071482232.db2.gz QWKCAXUUMHHCNQ-IYBDPMFKSA-N 2 2 438.550 -0.312 20 0 IBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000613997356 1071484047 /nfs/dbraw/zinc/48/40/47/1071484047.db2.gz XBSJUFFIUUEUJP-HOTGVXAUSA-N 2 2 436.534 -0.558 20 0 IBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000613997361 1071484033 /nfs/dbraw/zinc/48/40/33/1071484033.db2.gz XBSJUFFIUUEUJP-HZPDHXFCSA-N 2 2 436.534 -0.558 20 0 IBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000613997363 1071484007 /nfs/dbraw/zinc/48/40/07/1071484007.db2.gz XBSJUFFIUUEUJP-IYBDPMFKSA-N 2 2 436.534 -0.558 20 0 IBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000613997363 1071484001 /nfs/dbraw/zinc/48/40/01/1071484001.db2.gz XBSJUFFIUUEUJP-IYBDPMFKSA-N 2 2 436.534 -0.558 20 0 IBADLP COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000613997457 1071483158 /nfs/dbraw/zinc/48/31/58/1071483158.db2.gz YHIKZPRACMLCDX-HOTGVXAUSA-N 2 2 438.550 -0.312 20 0 IBADLP COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000613997461 1071483180 /nfs/dbraw/zinc/48/31/80/1071483180.db2.gz YHIKZPRACMLCDX-HZPDHXFCSA-N 2 2 438.550 -0.312 20 0 IBADLP COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000613997463 1071483120 /nfs/dbraw/zinc/48/31/20/1071483120.db2.gz YHIKZPRACMLCDX-IYBDPMFKSA-N 2 2 438.550 -0.312 20 0 IBADLP COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000613997463 1071483111 /nfs/dbraw/zinc/48/31/11/1071483111.db2.gz YHIKZPRACMLCDX-IYBDPMFKSA-N 2 2 438.550 -0.312 20 0 IBADLP CC1(C)CN(C(=O)CSCC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1CCO ZINC000614895640 1072955520 /nfs/dbraw/zinc/95/55/20/1072955520.db2.gz XJLUEQAFAXBEOU-UHFFFAOYSA-N 2 2 430.615 -0.450 20 0 IBADLP CC1(C)CN(C(=O)CSCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1CCO ZINC000614895640 1072955513 /nfs/dbraw/zinc/95/55/13/1072955513.db2.gz XJLUEQAFAXBEOU-UHFFFAOYSA-N 2 2 430.615 -0.450 20 0 IBADLP CCOC(=O)Cn1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000615244345 1072986928 /nfs/dbraw/zinc/98/69/28/1072986928.db2.gz HTVOBHZLBJZNBP-KRWDZBQOSA-N 2 2 447.536 -0.023 20 0 IBADLP CCOC(=O)Cn1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000615244345 1072986921 /nfs/dbraw/zinc/98/69/21/1072986921.db2.gz HTVOBHZLBJZNBP-KRWDZBQOSA-N 2 2 447.536 -0.023 20 0 IBADLP CCOC(=O)Cn1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000615244346 1072986954 /nfs/dbraw/zinc/98/69/54/1072986954.db2.gz HTVOBHZLBJZNBP-QGZVFWFLSA-N 2 2 447.536 -0.023 20 0 IBADLP CCOC(=O)Cn1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000615244346 1072986952 /nfs/dbraw/zinc/98/69/52/1072986952.db2.gz HTVOBHZLBJZNBP-QGZVFWFLSA-N 2 2 447.536 -0.023 20 0 IBADLP C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCCCC1 ZINC000615774192 1072992813 /nfs/dbraw/zinc/99/28/13/1072992813.db2.gz MVAUIMTYRLNHIO-GOSISDBHSA-N 2 2 430.619 -0.072 20 0 IBADLP C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCCCC1 ZINC000615774193 1072992938 /nfs/dbraw/zinc/99/29/38/1072992938.db2.gz MVAUIMTYRLNHIO-SFHVURJKSA-N 2 2 430.619 -0.072 20 0 IBADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)cc2)CC1 ZINC000616171020 1072996957 /nfs/dbraw/zinc/99/69/57/1072996957.db2.gz ILOXCMOBSPJCIU-UHFFFAOYSA-N 2 2 431.537 -0.220 20 0 IBADLP C[NH+](C)CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000617008326 1073008236 /nfs/dbraw/zinc/00/82/36/1073008236.db2.gz LAOPJLOIFKZQPR-UHFFFAOYSA-N 2 2 439.582 -0.123 20 0 IBADLP C[NH+]1CCN(CCCNC(=O)c2cccc(C(=O)NCCCN3CC[NH+](C)CC3)n2)CC1 ZINC000620163270 1073032044 /nfs/dbraw/zinc/03/20/44/1073032044.db2.gz YKSDULSZLPMPKN-UHFFFAOYSA-N 2 2 445.612 -0.184 20 0 IBADLP C[NH+](C)CCn1ccc(=NC(=O)c2cccc(C(=O)N=c3ccn(CC[NH+](C)C)[nH]3)n2)[nH]1 ZINC000623199022 1073051207 /nfs/dbraw/zinc/05/12/07/1073051207.db2.gz MRLOMRPIJIZLIU-UHFFFAOYSA-N 2 2 439.524 -0.054 20 0 IBADLP COCCNC(=O)C1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000641859604 1072599289 /nfs/dbraw/zinc/59/92/89/1072599289.db2.gz OCTVXPHYDJEKQL-UHFFFAOYSA-N 2 2 444.540 -0.514 20 0 IBADLP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000643012226 1072623177 /nfs/dbraw/zinc/62/31/77/1072623177.db2.gz PPCIKWGOBSJGSY-UHFFFAOYSA-N 2 2 430.553 -0.234 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)C2)CC1 ZINC000643492697 1073019655 /nfs/dbraw/zinc/01/96/55/1073019655.db2.gz HRLRUOYHGVRITL-IBGZPJMESA-N 2 2 442.564 -0.158 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)C2)CC1 ZINC000643492697 1073019642 /nfs/dbraw/zinc/01/96/42/1073019642.db2.gz HRLRUOYHGVRITL-IBGZPJMESA-N 2 2 442.564 -0.158 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)C2)CC1 ZINC000643492700 1072628246 /nfs/dbraw/zinc/62/82/46/1072628246.db2.gz HRLRUOYHGVRITL-LJQANCHMSA-N 2 2 442.564 -0.158 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)C2)CC1 ZINC000643492700 1072628244 /nfs/dbraw/zinc/62/82/44/1072628244.db2.gz HRLRUOYHGVRITL-LJQANCHMSA-N 2 2 442.564 -0.158 20 0 IBADLP C[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000647613332 1072647242 /nfs/dbraw/zinc/64/72/42/1072647242.db2.gz SKSODUZGWJYWRA-BZUAXINKSA-N 2 2 436.523 -0.579 20 0 IBADLP C[C@H](C(=O)NC[C@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000647613333 1071317296 /nfs/dbraw/zinc/31/72/96/1071317296.db2.gz SKSODUZGWJYWRA-OAGGEKHMSA-N 2 2 436.523 -0.579 20 0 IBADLP C[C@H](C(=O)NC[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000647613334 1072647144 /nfs/dbraw/zinc/64/71/44/1072647144.db2.gz SKSODUZGWJYWRA-OWCLPIDISA-N 2 2 436.523 -0.579 20 0 IBADLP C[C@H](C(=O)NC[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000647613335 1071317490 /nfs/dbraw/zinc/31/74/90/1071317490.db2.gz SKSODUZGWJYWRA-PMPSAXMXSA-N 2 2 436.523 -0.579 20 0 IBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCN1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000647715072 1071425436 /nfs/dbraw/zinc/42/54/36/1071425436.db2.gz LZPHAELLEJCWOU-PMACEKPBSA-N 2 2 439.601 -0.817 20 0 IBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCN1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000647715073 1071425363 /nfs/dbraw/zinc/42/53/63/1071425363.db2.gz LZPHAELLEJCWOU-UXHICEINSA-N 2 2 439.601 -0.817 20 0 IBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000647715074 1071425602 /nfs/dbraw/zinc/42/56/02/1071425602.db2.gz LZPHAELLEJCWOU-VQTJNVASSA-N 2 2 439.601 -0.817 20 0 IBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCN1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000647715075 1071425626 /nfs/dbraw/zinc/42/56/26/1071425626.db2.gz LZPHAELLEJCWOU-WOJBJXKFSA-N 2 2 439.601 -0.817 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000670640491 1070998799 /nfs/dbraw/zinc/99/87/99/1070998799.db2.gz FVJXLFCNXOBGFS-INIZCTEOSA-N 2 2 448.568 -0.358 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000670640491 1070998785 /nfs/dbraw/zinc/99/87/85/1070998785.db2.gz FVJXLFCNXOBGFS-INIZCTEOSA-N 2 2 448.568 -0.358 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000670640492 1072934268 /nfs/dbraw/zinc/93/42/68/1072934268.db2.gz FVJXLFCNXOBGFS-MRXNPFEDSA-N 2 2 448.568 -0.358 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000670640492 1072934263 /nfs/dbraw/zinc/93/42/63/1072934263.db2.gz FVJXLFCNXOBGFS-MRXNPFEDSA-N 2 2 448.568 -0.358 20 0 IBADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000670771843 1072991890 /nfs/dbraw/zinc/99/18/90/1072991890.db2.gz WULBPQIATOUFNO-HOTGVXAUSA-N 2 2 425.574 -0.341 20 0 IBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000670771844 1072991641 /nfs/dbraw/zinc/99/16/41/1072991641.db2.gz WULBPQIATOUFNO-HZPDHXFCSA-N 2 2 425.574 -0.341 20 0 IBADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000670771845 1072991720 /nfs/dbraw/zinc/99/17/20/1072991720.db2.gz WULBPQIATOUFNO-IYBDPMFKSA-N 2 2 425.574 -0.341 20 0 IBADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000670771845 1072991713 /nfs/dbraw/zinc/99/17/13/1072991713.db2.gz WULBPQIATOUFNO-IYBDPMFKSA-N 2 2 425.574 -0.341 20 0 IBADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)cn2)CC1 ZINC000670786446 1072993980 /nfs/dbraw/zinc/99/39/80/1072993980.db2.gz HMLRDMFBYQEEOG-IBGZPJMESA-N 2 2 430.553 -0.227 20 0 IBADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)cn2)CC1 ZINC000670786447 1071300881 /nfs/dbraw/zinc/30/08/81/1071300881.db2.gz HMLRDMFBYQEEOG-LJQANCHMSA-N 2 2 430.553 -0.227 20 0 IBADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cn2)CC1 ZINC000670786814 1072994803 /nfs/dbraw/zinc/99/48/03/1072994803.db2.gz OXBBIKOUURMPKT-IBGZPJMESA-N 2 2 430.553 -0.370 20 0 IBADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cn2)CC1 ZINC000670786815 1072994614 /nfs/dbraw/zinc/99/46/14/1072994614.db2.gz OXBBIKOUURMPKT-LJQANCHMSA-N 2 2 430.553 -0.370 20 0 IBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670836814 1073005492 /nfs/dbraw/zinc/00/54/92/1073005492.db2.gz UEMRYBSJVUKEFI-IBGZPJMESA-N 2 2 445.568 -0.572 20 0 IBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670836815 1073006270 /nfs/dbraw/zinc/00/62/70/1073006270.db2.gz UEMRYBSJVUKEFI-LJQANCHMSA-N 2 2 445.568 -0.572 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000670838780 1073006167 /nfs/dbraw/zinc/00/61/67/1073006167.db2.gz HDFCCCDXIABYEO-INIZCTEOSA-N 2 2 437.566 -0.634 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000670838780 1073006157 /nfs/dbraw/zinc/00/61/57/1073006157.db2.gz HDFCCCDXIABYEO-INIZCTEOSA-N 2 2 437.566 -0.634 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000670838781 1073006107 /nfs/dbraw/zinc/00/61/07/1073006107.db2.gz HDFCCCDXIABYEO-MRXNPFEDSA-N 2 2 437.566 -0.634 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000670838781 1073006091 /nfs/dbraw/zinc/00/60/91/1073006091.db2.gz HDFCCCDXIABYEO-MRXNPFEDSA-N 2 2 437.566 -0.634 20 0 IBADLP CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000670877226 1071614094 /nfs/dbraw/zinc/61/40/94/1071614094.db2.gz ZOZKUMPLRVKOEB-KRWDZBQOSA-N 2 2 443.614 -0.409 20 0 IBADLP CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000670877226 1071614091 /nfs/dbraw/zinc/61/40/91/1071614091.db2.gz ZOZKUMPLRVKOEB-KRWDZBQOSA-N 2 2 443.614 -0.409 20 0 IBADLP CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000670877227 1073013048 /nfs/dbraw/zinc/01/30/48/1073013048.db2.gz ZOZKUMPLRVKOEB-QGZVFWFLSA-N 2 2 443.614 -0.409 20 0 IBADLP CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000670877227 1073013039 /nfs/dbraw/zinc/01/30/39/1073013039.db2.gz ZOZKUMPLRVKOEB-QGZVFWFLSA-N 2 2 443.614 -0.409 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000670877797 1071614221 /nfs/dbraw/zinc/61/42/21/1071614221.db2.gz VSBMCVMLPZDOEK-NRFANRHFSA-N 2 2 432.565 -0.039 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000670877798 1071614200 /nfs/dbraw/zinc/61/42/00/1071614200.db2.gz VSBMCVMLPZDOEK-OAQYLSRUSA-N 2 2 432.565 -0.039 20 0 IBADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)ccn2)CC1 ZINC000670892147 1073016522 /nfs/dbraw/zinc/01/65/22/1073016522.db2.gz VSIAOTDFQHZSKZ-IBGZPJMESA-N 2 2 430.553 -0.227 20 0 IBADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)ccn2)CC1 ZINC000670892148 1073016548 /nfs/dbraw/zinc/01/65/48/1073016548.db2.gz VSIAOTDFQHZSKZ-LJQANCHMSA-N 2 2 430.553 -0.227 20 0 IBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000670904769 1073017183 /nfs/dbraw/zinc/01/71/83/1073017183.db2.gz IRWMSGVAHBPION-UHFFFAOYSA-N 2 2 445.564 -0.196 20 0 IBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)cn2)CC1 ZINC000670959941 1073020175 /nfs/dbraw/zinc/02/01/75/1073020175.db2.gz DQKQCIPLHVRDQN-UHFFFAOYSA-N 2 2 432.569 -0.245 20 0 IBADLP CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671019782 1073025920 /nfs/dbraw/zinc/02/59/20/1073025920.db2.gz UXEYNIWZPMOMTN-INIZCTEOSA-N 2 2 437.566 -0.504 20 0 IBADLP CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671019782 1073025911 /nfs/dbraw/zinc/02/59/11/1073025911.db2.gz UXEYNIWZPMOMTN-INIZCTEOSA-N 2 2 437.566 -0.504 20 0 IBADLP CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671019783 1072617354 /nfs/dbraw/zinc/61/73/54/1072617354.db2.gz UXEYNIWZPMOMTN-MRXNPFEDSA-N 2 2 437.566 -0.504 20 0 IBADLP CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671019783 1072617346 /nfs/dbraw/zinc/61/73/46/1072617346.db2.gz UXEYNIWZPMOMTN-MRXNPFEDSA-N 2 2 437.566 -0.504 20 0 IBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000671060195 1073034795 /nfs/dbraw/zinc/03/47/95/1073034795.db2.gz ZMSVTAARTZPDFU-UHFFFAOYSA-N 2 2 444.580 -0.753 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000671061027 1073034854 /nfs/dbraw/zinc/03/48/54/1073034854.db2.gz HQYVIFGNRSQOJH-GOSISDBHSA-N 2 2 436.601 -0.622 20 0 IBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000671061029 1073034902 /nfs/dbraw/zinc/03/49/02/1073034902.db2.gz HQYVIFGNRSQOJH-SFHVURJKSA-N 2 2 436.601 -0.622 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671099657 1073038048 /nfs/dbraw/zinc/03/80/48/1073038048.db2.gz FGZSAWIAQRGORE-MSOLQXFVSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671099657 1073038043 /nfs/dbraw/zinc/03/80/43/1073038043.db2.gz FGZSAWIAQRGORE-MSOLQXFVSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671099658 1073038152 /nfs/dbraw/zinc/03/81/52/1073038152.db2.gz FGZSAWIAQRGORE-QZTJIDSGSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671099658 1073038151 /nfs/dbraw/zinc/03/81/51/1073038151.db2.gz FGZSAWIAQRGORE-QZTJIDSGSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671099659 1073038097 /nfs/dbraw/zinc/03/80/97/1073038097.db2.gz FGZSAWIAQRGORE-ROUUACIJSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671099659 1073038092 /nfs/dbraw/zinc/03/80/92/1073038092.db2.gz FGZSAWIAQRGORE-ROUUACIJSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671099660 1073038079 /nfs/dbraw/zinc/03/80/79/1073038079.db2.gz FGZSAWIAQRGORE-ZWKOTPCHSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671099660 1073038076 /nfs/dbraw/zinc/03/80/76/1073038076.db2.gz FGZSAWIAQRGORE-ZWKOTPCHSA-N 2 2 428.537 -0.021 20 0 IBADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000671107756 1073038784 /nfs/dbraw/zinc/03/87/84/1073038784.db2.gz JUYSCILJUUOFHN-MSOLQXFVSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000671107756 1073038772 /nfs/dbraw/zinc/03/87/72/1073038772.db2.gz JUYSCILJUUOFHN-MSOLQXFVSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000671107756 1073038763 /nfs/dbraw/zinc/03/87/63/1073038763.db2.gz JUYSCILJUUOFHN-MSOLQXFVSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000671107756 1073038755 /nfs/dbraw/zinc/03/87/55/1073038755.db2.gz JUYSCILJUUOFHN-MSOLQXFVSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000671107757 1073039102 /nfs/dbraw/zinc/03/91/02/1073039102.db2.gz JUYSCILJUUOFHN-QZTJIDSGSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000671107757 1073039091 /nfs/dbraw/zinc/03/90/91/1073039091.db2.gz JUYSCILJUUOFHN-QZTJIDSGSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000671107757 1073039087 /nfs/dbraw/zinc/03/90/87/1073039087.db2.gz JUYSCILJUUOFHN-QZTJIDSGSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000671107757 1073039076 /nfs/dbraw/zinc/03/90/76/1073039076.db2.gz JUYSCILJUUOFHN-QZTJIDSGSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000671107758 1073039240 /nfs/dbraw/zinc/03/92/40/1073039240.db2.gz JUYSCILJUUOFHN-ROUUACIJSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000671107758 1073039237 /nfs/dbraw/zinc/03/92/37/1073039237.db2.gz JUYSCILJUUOFHN-ROUUACIJSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000671107758 1073039232 /nfs/dbraw/zinc/03/92/32/1073039232.db2.gz JUYSCILJUUOFHN-ROUUACIJSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000671107758 1073039225 /nfs/dbraw/zinc/03/92/25/1073039225.db2.gz JUYSCILJUUOFHN-ROUUACIJSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000671107759 1073039157 /nfs/dbraw/zinc/03/91/57/1073039157.db2.gz JUYSCILJUUOFHN-ZWKOTPCHSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000671107759 1073039154 /nfs/dbraw/zinc/03/91/54/1073039154.db2.gz JUYSCILJUUOFHN-ZWKOTPCHSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000671107759 1073039146 /nfs/dbraw/zinc/03/91/46/1073039146.db2.gz JUYSCILJUUOFHN-ZWKOTPCHSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000671107759 1073039139 /nfs/dbraw/zinc/03/91/39/1073039139.db2.gz JUYSCILJUUOFHN-ZWKOTPCHSA-N 2 2 443.552 -0.295 20 0 IBADLP O=C(CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671121848 1073039879 /nfs/dbraw/zinc/03/98/79/1073039879.db2.gz BVMZTMXFBFPFNO-KRWDZBQOSA-N 2 2 428.537 -0.163 20 0 IBADLP O=C(CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671121848 1073039860 /nfs/dbraw/zinc/03/98/60/1073039860.db2.gz BVMZTMXFBFPFNO-KRWDZBQOSA-N 2 2 428.537 -0.163 20 0 IBADLP O=C(CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671121849 1073039667 /nfs/dbraw/zinc/03/96/67/1073039667.db2.gz BVMZTMXFBFPFNO-QGZVFWFLSA-N 2 2 428.537 -0.163 20 0 IBADLP O=C(CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671121849 1073039661 /nfs/dbraw/zinc/03/96/61/1073039661.db2.gz BVMZTMXFBFPFNO-QGZVFWFLSA-N 2 2 428.537 -0.163 20 0 IBADLP CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671133745 1073040790 /nfs/dbraw/zinc/04/07/90/1073040790.db2.gz PISUXFYYGVICNY-KRWDZBQOSA-N 2 2 431.603 -0.599 20 0 IBADLP CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671133745 1073040784 /nfs/dbraw/zinc/04/07/84/1073040784.db2.gz PISUXFYYGVICNY-KRWDZBQOSA-N 2 2 431.603 -0.599 20 0 IBADLP CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671133746 1072869873 /nfs/dbraw/zinc/86/98/73/1072869873.db2.gz PISUXFYYGVICNY-QGZVFWFLSA-N 2 2 431.603 -0.599 20 0 IBADLP CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671133746 1072869857 /nfs/dbraw/zinc/86/98/57/1072869857.db2.gz PISUXFYYGVICNY-QGZVFWFLSA-N 2 2 431.603 -0.599 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000671307922 1073051933 /nfs/dbraw/zinc/05/19/33/1073051933.db2.gz YWXARPAGRKRPJF-INIZCTEOSA-N 2 2 433.557 -0.828 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000671307922 1073051926 /nfs/dbraw/zinc/05/19/26/1073051926.db2.gz YWXARPAGRKRPJF-INIZCTEOSA-N 2 2 433.557 -0.828 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000671307923 1073051771 /nfs/dbraw/zinc/05/17/71/1073051771.db2.gz YWXARPAGRKRPJF-MRXNPFEDSA-N 2 2 433.557 -0.828 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000671307923 1073051762 /nfs/dbraw/zinc/05/17/62/1073051762.db2.gz YWXARPAGRKRPJF-MRXNPFEDSA-N 2 2 433.557 -0.828 20 0 IBADLP CN(C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671308135 1073051697 /nfs/dbraw/zinc/05/16/97/1073051697.db2.gz CTDRAESNJWGLIN-GOSISDBHSA-N 2 2 447.584 -0.486 20 0 IBADLP CN(C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671308135 1073051692 /nfs/dbraw/zinc/05/16/92/1073051692.db2.gz CTDRAESNJWGLIN-GOSISDBHSA-N 2 2 447.584 -0.486 20 0 IBADLP CN(C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671308136 1073051844 /nfs/dbraw/zinc/05/18/44/1073051844.db2.gz CTDRAESNJWGLIN-SFHVURJKSA-N 2 2 447.584 -0.486 20 0 IBADLP CN(C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671308136 1073051836 /nfs/dbraw/zinc/05/18/36/1073051836.db2.gz CTDRAESNJWGLIN-SFHVURJKSA-N 2 2 447.584 -0.486 20 0 IBADLP CCN(CCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000671362443 1073064320 /nfs/dbraw/zinc/06/43/20/1073064320.db2.gz ARPSTYZYVWSPNI-KRWDZBQOSA-N 2 2 431.603 -0.599 20 0 IBADLP CCN(CCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000671362443 1073064312 /nfs/dbraw/zinc/06/43/12/1073064312.db2.gz ARPSTYZYVWSPNI-KRWDZBQOSA-N 2 2 431.603 -0.599 20 0 IBADLP CCN(CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000671362444 1073064208 /nfs/dbraw/zinc/06/42/08/1073064208.db2.gz ARPSTYZYVWSPNI-QGZVFWFLSA-N 2 2 431.603 -0.599 20 0 IBADLP CCN(CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000671362444 1073064200 /nfs/dbraw/zinc/06/42/00/1073064200.db2.gz ARPSTYZYVWSPNI-QGZVFWFLSA-N 2 2 431.603 -0.599 20 0 IBADLP CN(C(=O)C(=O)NCc1cccc(OCC(N)=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671389912 1073066615 /nfs/dbraw/zinc/06/66/15/1073066615.db2.gz JLIHPNXNGRMFMV-GOSISDBHSA-N 2 2 431.537 -0.206 20 0 IBADLP CN(C(=O)C(=O)NCc1cccc(OCC(N)=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671389912 1073066602 /nfs/dbraw/zinc/06/66/02/1073066602.db2.gz JLIHPNXNGRMFMV-GOSISDBHSA-N 2 2 431.537 -0.206 20 0 IBADLP CN(C(=O)C(=O)NCc1cccc(OCC(N)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671389913 1073066555 /nfs/dbraw/zinc/06/65/55/1073066555.db2.gz JLIHPNXNGRMFMV-SFHVURJKSA-N 2 2 431.537 -0.206 20 0 IBADLP CN(C(=O)C(=O)NCc1cccc(OCC(N)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671389913 1073066545 /nfs/dbraw/zinc/06/65/45/1073066545.db2.gz JLIHPNXNGRMFMV-SFHVURJKSA-N 2 2 431.537 -0.206 20 0 IBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822193 1073122689 /nfs/dbraw/zinc/12/26/89/1073122689.db2.gz XAODFHDZDTWNRK-IBGZPJMESA-N 2 2 433.553 -0.624 20 0 IBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822193 1073122685 /nfs/dbraw/zinc/12/26/85/1073122685.db2.gz XAODFHDZDTWNRK-IBGZPJMESA-N 2 2 433.553 -0.624 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822194 1073122600 /nfs/dbraw/zinc/12/26/00/1073122600.db2.gz XAODFHDZDTWNRK-LJQANCHMSA-N 2 2 433.553 -0.624 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671822194 1073122592 /nfs/dbraw/zinc/12/25/92/1073122592.db2.gz XAODFHDZDTWNRK-LJQANCHMSA-N 2 2 433.553 -0.624 20 0 IBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822506 1073122476 /nfs/dbraw/zinc/12/24/76/1073122476.db2.gz YGHIGNJIXOBCQO-IBGZPJMESA-N 2 2 433.553 -0.624 20 0 IBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822506 1073122471 /nfs/dbraw/zinc/12/24/71/1073122471.db2.gz YGHIGNJIXOBCQO-IBGZPJMESA-N 2 2 433.553 -0.624 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822507 1073122433 /nfs/dbraw/zinc/12/24/33/1073122433.db2.gz YGHIGNJIXOBCQO-LJQANCHMSA-N 2 2 433.553 -0.624 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000671822507 1073122431 /nfs/dbraw/zinc/12/24/31/1073122431.db2.gz YGHIGNJIXOBCQO-LJQANCHMSA-N 2 2 433.553 -0.624 20 0 IBADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000671869152 1073126617 /nfs/dbraw/zinc/12/66/17/1073126617.db2.gz OPZHJZZKDQHINH-IBGZPJMESA-N 2 2 430.553 -0.227 20 0 IBADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000671869153 1073126681 /nfs/dbraw/zinc/12/66/81/1073126681.db2.gz OPZHJZZKDQHINH-LJQANCHMSA-N 2 2 430.553 -0.227 20 0 IBADLP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCc3cccnc3N3CC[NH+](C)CC3)C2)CC1 ZINC000671869489 1073126928 /nfs/dbraw/zinc/12/69/28/1073126928.db2.gz IYLHUZATWTVSEW-IBGZPJMESA-N 2 2 443.596 -0.266 20 0 IBADLP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3cccnc3N3CC[NH+](C)CC3)C2)CC1 ZINC000671869490 1073127215 /nfs/dbraw/zinc/12/72/15/1073127215.db2.gz IYLHUZATWTVSEW-LJQANCHMSA-N 2 2 443.596 -0.266 20 0 IBADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000671912609 1073128400 /nfs/dbraw/zinc/12/84/00/1073128400.db2.gz QSEXANXPTCGOJB-FQEVSTJZSA-N 2 2 445.564 -0.083 20 0 IBADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000671912610 1073128449 /nfs/dbraw/zinc/12/84/49/1073128449.db2.gz QSEXANXPTCGOJB-HXUWFJFHSA-N 2 2 445.564 -0.083 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)CC2)CC1 ZINC000671950329 1073130797 /nfs/dbraw/zinc/13/07/97/1073130797.db2.gz ALOZGTGDBSDEOU-NRFANRHFSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)CC2)CC1 ZINC000671950329 1073130790 /nfs/dbraw/zinc/13/07/90/1073130790.db2.gz ALOZGTGDBSDEOU-NRFANRHFSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)CC2)CC1 ZINC000671950333 1073130929 /nfs/dbraw/zinc/13/09/29/1073130929.db2.gz ALOZGTGDBSDEOU-OAQYLSRUSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)CC2)CC1 ZINC000671950333 1073130924 /nfs/dbraw/zinc/13/09/24/1073130924.db2.gz ALOZGTGDBSDEOU-OAQYLSRUSA-N 3 2 434.629 -0.100 20 0 IBADLP CN(C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671981198 1073132337 /nfs/dbraw/zinc/13/23/37/1073132337.db2.gz NRHRQWUCKMVHGY-HKUYNNGSSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671981198 1073132329 /nfs/dbraw/zinc/13/23/29/1073132329.db2.gz NRHRQWUCKMVHGY-HKUYNNGSSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671981198 1073132324 /nfs/dbraw/zinc/13/23/24/1073132324.db2.gz NRHRQWUCKMVHGY-HKUYNNGSSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671981198 1073132317 /nfs/dbraw/zinc/13/23/17/1073132317.db2.gz NRHRQWUCKMVHGY-HKUYNNGSSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671981199 1073132089 /nfs/dbraw/zinc/13/20/89/1073132089.db2.gz NRHRQWUCKMVHGY-IEBWSBKVSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671981199 1073132085 /nfs/dbraw/zinc/13/20/85/1073132085.db2.gz NRHRQWUCKMVHGY-IEBWSBKVSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671981199 1073132079 /nfs/dbraw/zinc/13/20/79/1073132079.db2.gz NRHRQWUCKMVHGY-IEBWSBKVSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671981199 1073132077 /nfs/dbraw/zinc/13/20/77/1073132077.db2.gz NRHRQWUCKMVHGY-IEBWSBKVSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671981200 1073132270 /nfs/dbraw/zinc/13/22/70/1073132270.db2.gz NRHRQWUCKMVHGY-MJGOQNOKSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671981200 1073132261 /nfs/dbraw/zinc/13/22/61/1073132261.db2.gz NRHRQWUCKMVHGY-MJGOQNOKSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671981200 1073132257 /nfs/dbraw/zinc/13/22/57/1073132257.db2.gz NRHRQWUCKMVHGY-MJGOQNOKSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671981200 1073132253 /nfs/dbraw/zinc/13/22/53/1073132253.db2.gz NRHRQWUCKMVHGY-MJGOQNOKSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671981201 1073132192 /nfs/dbraw/zinc/13/21/92/1073132192.db2.gz NRHRQWUCKMVHGY-PKOBYXMFSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671981201 1073132187 /nfs/dbraw/zinc/13/21/87/1073132187.db2.gz NRHRQWUCKMVHGY-PKOBYXMFSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671981201 1073132184 /nfs/dbraw/zinc/13/21/84/1073132184.db2.gz NRHRQWUCKMVHGY-PKOBYXMFSA-N 3 2 436.601 -0.683 20 0 IBADLP CN(C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671981201 1073132181 /nfs/dbraw/zinc/13/21/81/1073132181.db2.gz NRHRQWUCKMVHGY-PKOBYXMFSA-N 3 2 436.601 -0.683 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCNC(=O)Cc3cccc(F)c3)C2)CC1 ZINC000671994604 1073133085 /nfs/dbraw/zinc/13/30/85/1073133085.db2.gz BEHBLKBEBCFDIN-GOSISDBHSA-N 2 2 433.528 -0.115 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCNC(=O)Cc3cccc(F)c3)C2)CC1 ZINC000671994604 1073133081 /nfs/dbraw/zinc/13/30/81/1073133081.db2.gz BEHBLKBEBCFDIN-GOSISDBHSA-N 2 2 433.528 -0.115 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCNC(=O)Cc3cccc(F)c3)C2)CC1 ZINC000671994605 1073133049 /nfs/dbraw/zinc/13/30/49/1073133049.db2.gz BEHBLKBEBCFDIN-SFHVURJKSA-N 2 2 433.528 -0.115 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCNC(=O)Cc3cccc(F)c3)C2)CC1 ZINC000671994605 1073133045 /nfs/dbraw/zinc/13/30/45/1073133045.db2.gz BEHBLKBEBCFDIN-SFHVURJKSA-N 2 2 433.528 -0.115 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995113 1073133557 /nfs/dbraw/zinc/13/35/57/1073133557.db2.gz AIWIGYBHDZWUEJ-GOSISDBHSA-N 2 2 428.537 -0.163 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995113 1073133552 /nfs/dbraw/zinc/13/35/52/1073133552.db2.gz AIWIGYBHDZWUEJ-GOSISDBHSA-N 2 2 428.537 -0.163 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995117 1073133684 /nfs/dbraw/zinc/13/36/84/1073133684.db2.gz AIWIGYBHDZWUEJ-SFHVURJKSA-N 2 2 428.537 -0.163 20 0 IBADLP O=C(CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000671995117 1073133678 /nfs/dbraw/zinc/13/36/78/1073133678.db2.gz AIWIGYBHDZWUEJ-SFHVURJKSA-N 2 2 428.537 -0.163 20 0 IBADLP C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC[NH+](C)CC1 ZINC000672007076 1073134783 /nfs/dbraw/zinc/13/47/83/1073134783.db2.gz AUTWBBVVYDRLPZ-KRWDZBQOSA-N 2 2 445.568 -0.192 20 0 IBADLP C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC000672007076 1073134781 /nfs/dbraw/zinc/13/47/81/1073134781.db2.gz AUTWBBVVYDRLPZ-KRWDZBQOSA-N 2 2 445.568 -0.192 20 0 IBADLP C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC[NH+](C)CC1 ZINC000672007077 1073135446 /nfs/dbraw/zinc/13/54/46/1073135446.db2.gz AUTWBBVVYDRLPZ-QGZVFWFLSA-N 2 2 445.568 -0.192 20 0 IBADLP C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC000672007077 1073135443 /nfs/dbraw/zinc/13/54/43/1073135443.db2.gz AUTWBBVVYDRLPZ-QGZVFWFLSA-N 2 2 445.568 -0.192 20 0 IBADLP CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672062263 1073144523 /nfs/dbraw/zinc/14/45/23/1073144523.db2.gz LOJPKNHUTKHYPU-FQEVSTJZSA-N 2 2 444.580 -0.174 20 0 IBADLP CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672062263 1073144518 /nfs/dbraw/zinc/14/45/18/1073144518.db2.gz LOJPKNHUTKHYPU-FQEVSTJZSA-N 2 2 444.580 -0.174 20 0 IBADLP CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672062264 1073144927 /nfs/dbraw/zinc/14/49/27/1073144927.db2.gz LOJPKNHUTKHYPU-HXUWFJFHSA-N 2 2 444.580 -0.174 20 0 IBADLP CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672062264 1073144924 /nfs/dbraw/zinc/14/49/24/1073144924.db2.gz LOJPKNHUTKHYPU-HXUWFJFHSA-N 2 2 444.580 -0.174 20 0 IBADLP CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672062447 1073144368 /nfs/dbraw/zinc/14/43/68/1073144368.db2.gz UKRCCVWGHPGXSH-GOSISDBHSA-N 2 2 430.553 -0.517 20 0 IBADLP CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672062447 1073144364 /nfs/dbraw/zinc/14/43/64/1073144364.db2.gz UKRCCVWGHPGXSH-GOSISDBHSA-N 2 2 430.553 -0.517 20 0 IBADLP CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672062448 1073144490 /nfs/dbraw/zinc/14/44/90/1073144490.db2.gz UKRCCVWGHPGXSH-SFHVURJKSA-N 2 2 430.553 -0.517 20 0 IBADLP CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672062448 1073144486 /nfs/dbraw/zinc/14/44/86/1073144486.db2.gz UKRCCVWGHPGXSH-SFHVURJKSA-N 2 2 430.553 -0.517 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672111365 1073151044 /nfs/dbraw/zinc/15/10/44/1073151044.db2.gz YRONVFMDLXXYNK-FHWLQOOXSA-N 2 2 437.585 -0.195 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672111365 1073151041 /nfs/dbraw/zinc/15/10/41/1073151041.db2.gz YRONVFMDLXXYNK-FHWLQOOXSA-N 2 2 437.585 -0.195 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672111366 1073151031 /nfs/dbraw/zinc/15/10/31/1073151031.db2.gz YRONVFMDLXXYNK-OTWHNJEPSA-N 2 2 437.585 -0.195 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672111366 1073151028 /nfs/dbraw/zinc/15/10/28/1073151028.db2.gz YRONVFMDLXXYNK-OTWHNJEPSA-N 2 2 437.585 -0.195 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672111367 1073151109 /nfs/dbraw/zinc/15/11/09/1073151109.db2.gz YRONVFMDLXXYNK-QRVBRYPASA-N 2 2 437.585 -0.195 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000672111367 1073151108 /nfs/dbraw/zinc/15/11/08/1073151108.db2.gz YRONVFMDLXXYNK-QRVBRYPASA-N 2 2 437.585 -0.195 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672111368 1073151118 /nfs/dbraw/zinc/15/11/18/1073151118.db2.gz YRONVFMDLXXYNK-QYZOEREBSA-N 2 2 437.585 -0.195 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000672111368 1073151116 /nfs/dbraw/zinc/15/11/16/1073151116.db2.gz YRONVFMDLXXYNK-QYZOEREBSA-N 2 2 437.585 -0.195 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672111404 1073151068 /nfs/dbraw/zinc/15/10/68/1073151068.db2.gz FDSPSPFVKNMCHN-HKUYNNGSSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672111404 1073151067 /nfs/dbraw/zinc/15/10/67/1073151067.db2.gz FDSPSPFVKNMCHN-HKUYNNGSSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672111404 1073151066 /nfs/dbraw/zinc/15/10/66/1073151066.db2.gz FDSPSPFVKNMCHN-HKUYNNGSSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672111404 1073151064 /nfs/dbraw/zinc/15/10/64/1073151064.db2.gz FDSPSPFVKNMCHN-HKUYNNGSSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672111405 1073151103 /nfs/dbraw/zinc/15/11/03/1073151103.db2.gz FDSPSPFVKNMCHN-IEBWSBKVSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672111405 1073151102 /nfs/dbraw/zinc/15/11/02/1073151102.db2.gz FDSPSPFVKNMCHN-IEBWSBKVSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672111405 1073151101 /nfs/dbraw/zinc/15/11/01/1073151101.db2.gz FDSPSPFVKNMCHN-IEBWSBKVSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672111405 1073151099 /nfs/dbraw/zinc/15/10/99/1073151099.db2.gz FDSPSPFVKNMCHN-IEBWSBKVSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672111406 1073150914 /nfs/dbraw/zinc/15/09/14/1073150914.db2.gz FDSPSPFVKNMCHN-MJGOQNOKSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672111406 1073150911 /nfs/dbraw/zinc/15/09/11/1073150911.db2.gz FDSPSPFVKNMCHN-MJGOQNOKSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672111406 1073150907 /nfs/dbraw/zinc/15/09/07/1073150907.db2.gz FDSPSPFVKNMCHN-MJGOQNOKSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672111406 1073150904 /nfs/dbraw/zinc/15/09/04/1073150904.db2.gz FDSPSPFVKNMCHN-MJGOQNOKSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672111407 1073151089 /nfs/dbraw/zinc/15/10/89/1073151089.db2.gz FDSPSPFVKNMCHN-PKOBYXMFSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672111407 1073151088 /nfs/dbraw/zinc/15/10/88/1073151088.db2.gz FDSPSPFVKNMCHN-PKOBYXMFSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672111407 1073151086 /nfs/dbraw/zinc/15/10/86/1073151086.db2.gz FDSPSPFVKNMCHN-PKOBYXMFSA-N 3 2 436.601 -0.670 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672111407 1073151084 /nfs/dbraw/zinc/15/10/84/1073151084.db2.gz FDSPSPFVKNMCHN-PKOBYXMFSA-N 3 2 436.601 -0.670 20 0 IBADLP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672301643 1073163395 /nfs/dbraw/zinc/16/33/95/1073163395.db2.gz UTJSJWNZEOZWDU-MSOLQXFVSA-N 2 2 433.557 -0.670 20 0 IBADLP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000672301643 1073163388 /nfs/dbraw/zinc/16/33/88/1073163388.db2.gz UTJSJWNZEOZWDU-MSOLQXFVSA-N 2 2 433.557 -0.670 20 0 IBADLP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000672301644 1073163657 /nfs/dbraw/zinc/16/36/57/1073163657.db2.gz UTJSJWNZEOZWDU-QZTJIDSGSA-N 2 2 433.557 -0.670 20 0 IBADLP C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000672301644 1073163653 /nfs/dbraw/zinc/16/36/53/1073163653.db2.gz UTJSJWNZEOZWDU-QZTJIDSGSA-N 2 2 433.557 -0.670 20 0 IBADLP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672301645 1073163426 /nfs/dbraw/zinc/16/34/26/1073163426.db2.gz UTJSJWNZEOZWDU-ROUUACIJSA-N 2 2 433.557 -0.670 20 0 IBADLP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000672301645 1073163419 /nfs/dbraw/zinc/16/34/19/1073163419.db2.gz UTJSJWNZEOZWDU-ROUUACIJSA-N 2 2 433.557 -0.670 20 0 IBADLP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000672301646 1073163531 /nfs/dbraw/zinc/16/35/31/1073163531.db2.gz UTJSJWNZEOZWDU-ZWKOTPCHSA-N 2 2 433.557 -0.670 20 0 IBADLP C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000672301646 1073163525 /nfs/dbraw/zinc/16/35/25/1073163525.db2.gz UTJSJWNZEOZWDU-ZWKOTPCHSA-N 2 2 433.557 -0.670 20 0 IBADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000672304234 1073163706 /nfs/dbraw/zinc/16/37/06/1073163706.db2.gz NOUCZMODFYLENK-GOSISDBHSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000672304234 1073163703 /nfs/dbraw/zinc/16/37/03/1073163703.db2.gz NOUCZMODFYLENK-GOSISDBHSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000672304234 1073163697 /nfs/dbraw/zinc/16/36/97/1073163697.db2.gz NOUCZMODFYLENK-GOSISDBHSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000672304234 1073163694 /nfs/dbraw/zinc/16/36/94/1073163694.db2.gz NOUCZMODFYLENK-GOSISDBHSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000672304235 1073163619 /nfs/dbraw/zinc/16/36/19/1073163619.db2.gz NOUCZMODFYLENK-SFHVURJKSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000672304235 1073163613 /nfs/dbraw/zinc/16/36/13/1073163613.db2.gz NOUCZMODFYLENK-SFHVURJKSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000672304235 1073163608 /nfs/dbraw/zinc/16/36/08/1073163608.db2.gz NOUCZMODFYLENK-SFHVURJKSA-N 2 2 443.552 -0.438 20 0 IBADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000672304235 1073163602 /nfs/dbraw/zinc/16/36/02/1073163602.db2.gz NOUCZMODFYLENK-SFHVURJKSA-N 2 2 443.552 -0.438 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672457901 1073171911 /nfs/dbraw/zinc/17/19/11/1073171911.db2.gz DXMWMFQCBJIIBF-KRWDZBQOSA-N 2 2 444.580 -0.035 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672457901 1073171910 /nfs/dbraw/zinc/17/19/10/1073171910.db2.gz DXMWMFQCBJIIBF-KRWDZBQOSA-N 2 2 444.580 -0.035 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672457903 1073171930 /nfs/dbraw/zinc/17/19/30/1073171930.db2.gz DXMWMFQCBJIIBF-QGZVFWFLSA-N 2 2 444.580 -0.035 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672457903 1073171929 /nfs/dbraw/zinc/17/19/29/1073171929.db2.gz DXMWMFQCBJIIBF-QGZVFWFLSA-N 2 2 444.580 -0.035 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000672459011 1073169728 /nfs/dbraw/zinc/16/97/28/1073169728.db2.gz OOCGVQMFZDKCEA-DLBZAZTESA-N 2 2 442.564 -0.235 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000672459011 1073169726 /nfs/dbraw/zinc/16/97/26/1073169726.db2.gz OOCGVQMFZDKCEA-DLBZAZTESA-N 2 2 442.564 -0.235 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000672459012 1073169797 /nfs/dbraw/zinc/16/97/97/1073169797.db2.gz OOCGVQMFZDKCEA-IAGOWNOFSA-N 2 2 442.564 -0.235 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000672459012 1073169796 /nfs/dbraw/zinc/16/97/96/1073169796.db2.gz OOCGVQMFZDKCEA-IAGOWNOFSA-N 2 2 442.564 -0.235 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000672459013 1073169784 /nfs/dbraw/zinc/16/97/84/1073169784.db2.gz OOCGVQMFZDKCEA-IRXDYDNUSA-N 2 2 442.564 -0.235 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000672459013 1073169783 /nfs/dbraw/zinc/16/97/83/1073169783.db2.gz OOCGVQMFZDKCEA-IRXDYDNUSA-N 2 2 442.564 -0.235 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000672459014 1073169790 /nfs/dbraw/zinc/16/97/90/1073169790.db2.gz OOCGVQMFZDKCEA-SJORKVTESA-N 2 2 442.564 -0.235 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)C2)CC1 ZINC000672459014 1073169789 /nfs/dbraw/zinc/16/97/89/1073169789.db2.gz OOCGVQMFZDKCEA-SJORKVTESA-N 2 2 442.564 -0.235 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(N4CCOCC4)n3)C2)CC1 ZINC000672553518 1073175403 /nfs/dbraw/zinc/17/54/03/1073175403.db2.gz RZQQDMFBRBEFQZ-GOSISDBHSA-N 2 2 430.553 -0.181 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(N4CCOCC4)n3)C2)CC1 ZINC000672553518 1073175401 /nfs/dbraw/zinc/17/54/01/1073175401.db2.gz RZQQDMFBRBEFQZ-GOSISDBHSA-N 2 2 430.553 -0.181 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(N4CCOCC4)n3)C2)CC1 ZINC000672553519 1073175471 /nfs/dbraw/zinc/17/54/71/1073175471.db2.gz RZQQDMFBRBEFQZ-SFHVURJKSA-N 2 2 430.553 -0.181 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(N4CCOCC4)n3)C2)CC1 ZINC000672553519 1073175469 /nfs/dbraw/zinc/17/54/69/1073175469.db2.gz RZQQDMFBRBEFQZ-SFHVURJKSA-N 2 2 430.553 -0.181 20 0 IBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000672596771 1073176270 /nfs/dbraw/zinc/17/62/70/1073176270.db2.gz GHNUYLJWYFOMCE-IBGZPJMESA-N 2 2 436.988 -0.060 20 0 IBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000672596771 1073176266 /nfs/dbraw/zinc/17/62/66/1073176266.db2.gz GHNUYLJWYFOMCE-IBGZPJMESA-N 2 2 436.988 -0.060 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000672596772 1073176165 /nfs/dbraw/zinc/17/61/65/1073176165.db2.gz GHNUYLJWYFOMCE-LJQANCHMSA-N 2 2 436.988 -0.060 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000672596772 1073176161 /nfs/dbraw/zinc/17/61/61/1073176161.db2.gz GHNUYLJWYFOMCE-LJQANCHMSA-N 2 2 436.988 -0.060 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672625466 1073177310 /nfs/dbraw/zinc/17/73/10/1073177310.db2.gz PXKJLNJOUBMWTO-CABCVRRESA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672625466 1073177305 /nfs/dbraw/zinc/17/73/05/1073177305.db2.gz PXKJLNJOUBMWTO-CABCVRRESA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672625467 1073177114 /nfs/dbraw/zinc/17/71/14/1073177114.db2.gz PXKJLNJOUBMWTO-GJZGRUSLSA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672625467 1073177110 /nfs/dbraw/zinc/17/71/10/1073177110.db2.gz PXKJLNJOUBMWTO-GJZGRUSLSA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672625468 1073177136 /nfs/dbraw/zinc/17/71/36/1073177136.db2.gz PXKJLNJOUBMWTO-HUUCEWRRSA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672625468 1073177130 /nfs/dbraw/zinc/17/71/30/1073177130.db2.gz PXKJLNJOUBMWTO-HUUCEWRRSA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672625469 1073177169 /nfs/dbraw/zinc/17/71/69/1073177169.db2.gz PXKJLNJOUBMWTO-LSDHHAIUSA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672625469 1073177165 /nfs/dbraw/zinc/17/71/65/1073177165.db2.gz PXKJLNJOUBMWTO-LSDHHAIUSA-N 2 2 433.475 -0.107 20 0 IBADLP CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637303 1073178310 /nfs/dbraw/zinc/17/83/10/1073178310.db2.gz DMSHMVPWWNPECQ-GOSISDBHSA-N 2 2 436.601 -0.716 20 0 IBADLP CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637303 1073178306 /nfs/dbraw/zinc/17/83/06/1073178306.db2.gz DMSHMVPWWNPECQ-GOSISDBHSA-N 2 2 436.601 -0.716 20 0 IBADLP CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637304 1073178286 /nfs/dbraw/zinc/17/82/86/1073178286.db2.gz DMSHMVPWWNPECQ-SFHVURJKSA-N 2 2 436.601 -0.716 20 0 IBADLP CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637304 1073178283 /nfs/dbraw/zinc/17/82/83/1073178283.db2.gz DMSHMVPWWNPECQ-SFHVURJKSA-N 2 2 436.601 -0.716 20 0 IBADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638090 1073179113 /nfs/dbraw/zinc/17/91/13/1073179113.db2.gz JHBHLOUWRNYVKW-HKUYNNGSSA-N 3 2 434.585 -0.964 20 0 IBADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638090 1073179109 /nfs/dbraw/zinc/17/91/09/1073179109.db2.gz JHBHLOUWRNYVKW-HKUYNNGSSA-N 3 2 434.585 -0.964 20 0 IBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638090 1073179104 /nfs/dbraw/zinc/17/91/04/1073179104.db2.gz JHBHLOUWRNYVKW-HKUYNNGSSA-N 3 2 434.585 -0.964 20 0 IBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638090 1073179097 /nfs/dbraw/zinc/17/90/97/1073179097.db2.gz JHBHLOUWRNYVKW-HKUYNNGSSA-N 3 2 434.585 -0.964 20 0 IBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638091 1073179240 /nfs/dbraw/zinc/17/92/40/1073179240.db2.gz JHBHLOUWRNYVKW-IEBWSBKVSA-N 3 2 434.585 -0.964 20 0 IBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638091 1073179234 /nfs/dbraw/zinc/17/92/34/1073179234.db2.gz JHBHLOUWRNYVKW-IEBWSBKVSA-N 3 2 434.585 -0.964 20 0 IBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638091 1073179231 /nfs/dbraw/zinc/17/92/31/1073179231.db2.gz JHBHLOUWRNYVKW-IEBWSBKVSA-N 3 2 434.585 -0.964 20 0 IBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638091 1073179225 /nfs/dbraw/zinc/17/92/25/1073179225.db2.gz JHBHLOUWRNYVKW-IEBWSBKVSA-N 3 2 434.585 -0.964 20 0 IBADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638092 1073179056 /nfs/dbraw/zinc/17/90/56/1073179056.db2.gz JHBHLOUWRNYVKW-MJGOQNOKSA-N 3 2 434.585 -0.964 20 0 IBADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638092 1073179052 /nfs/dbraw/zinc/17/90/52/1073179052.db2.gz JHBHLOUWRNYVKW-MJGOQNOKSA-N 3 2 434.585 -0.964 20 0 IBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638092 1073179050 /nfs/dbraw/zinc/17/90/50/1073179050.db2.gz JHBHLOUWRNYVKW-MJGOQNOKSA-N 3 2 434.585 -0.964 20 0 IBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638092 1073179048 /nfs/dbraw/zinc/17/90/48/1073179048.db2.gz JHBHLOUWRNYVKW-MJGOQNOKSA-N 3 2 434.585 -0.964 20 0 IBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638093 1073179199 /nfs/dbraw/zinc/17/91/99/1073179199.db2.gz JHBHLOUWRNYVKW-PKOBYXMFSA-N 3 2 434.585 -0.964 20 0 IBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638093 1073179197 /nfs/dbraw/zinc/17/91/97/1073179197.db2.gz JHBHLOUWRNYVKW-PKOBYXMFSA-N 3 2 434.585 -0.964 20 0 IBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638093 1073179194 /nfs/dbraw/zinc/17/91/94/1073179194.db2.gz JHBHLOUWRNYVKW-PKOBYXMFSA-N 3 2 434.585 -0.964 20 0 IBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638093 1073179189 /nfs/dbraw/zinc/17/91/89/1073179189.db2.gz JHBHLOUWRNYVKW-PKOBYXMFSA-N 3 2 434.585 -0.964 20 0 IBADLP COc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672638213 1073178259 /nfs/dbraw/zinc/17/82/59/1073178259.db2.gz BWLIMIZSAGVRJW-INIZCTEOSA-N 2 2 431.541 -0.582 20 0 IBADLP COc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672638213 1073178254 /nfs/dbraw/zinc/17/82/54/1073178254.db2.gz BWLIMIZSAGVRJW-INIZCTEOSA-N 2 2 431.541 -0.582 20 0 IBADLP COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672638214 1073178410 /nfs/dbraw/zinc/17/84/10/1073178410.db2.gz BWLIMIZSAGVRJW-MRXNPFEDSA-N 2 2 431.541 -0.582 20 0 IBADLP COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672638214 1073178405 /nfs/dbraw/zinc/17/84/05/1073178405.db2.gz BWLIMIZSAGVRJW-MRXNPFEDSA-N 2 2 431.541 -0.582 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)C2)CC1 ZINC000672638449 1073178347 /nfs/dbraw/zinc/17/83/47/1073178347.db2.gz QESKBWKYIVBVKF-AZUAARDMSA-N 2 2 442.564 -0.027 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)C2)CC1 ZINC000672638449 1073178342 /nfs/dbraw/zinc/17/83/42/1073178342.db2.gz QESKBWKYIVBVKF-AZUAARDMSA-N 2 2 442.564 -0.027 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)C2)CC1 ZINC000672638458 1073178240 /nfs/dbraw/zinc/17/82/40/1073178240.db2.gz QESKBWKYIVBVKF-ICSRJNTNSA-N 2 2 442.564 -0.027 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)C2)CC1 ZINC000672638458 1073178239 /nfs/dbraw/zinc/17/82/39/1073178239.db2.gz QESKBWKYIVBVKF-ICSRJNTNSA-N 2 2 442.564 -0.027 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)C2)CC1 ZINC000672638459 1073178216 /nfs/dbraw/zinc/17/82/16/1073178216.db2.gz QESKBWKYIVBVKF-QUCCMNQESA-N 2 2 442.564 -0.027 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)C2)CC1 ZINC000672638459 1073178212 /nfs/dbraw/zinc/17/82/12/1073178212.db2.gz QESKBWKYIVBVKF-QUCCMNQESA-N 2 2 442.564 -0.027 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)C2)CC1 ZINC000672638461 1073178393 /nfs/dbraw/zinc/17/83/93/1073178393.db2.gz QESKBWKYIVBVKF-UYAOXDASSA-N 2 2 442.564 -0.027 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)C2)CC1 ZINC000672638461 1073178387 /nfs/dbraw/zinc/17/83/87/1073178387.db2.gz QESKBWKYIVBVKF-UYAOXDASSA-N 2 2 442.564 -0.027 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C(=O)Nc4nncs4)CC3)C2)CC1 ZINC000672639122 1073178889 /nfs/dbraw/zinc/17/88/89/1073178889.db2.gz ZMHUHNOYULNSPR-HNNXBMFYSA-N 2 2 449.581 0.000 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C(=O)Nc4nncs4)CC3)C2)CC1 ZINC000672639122 1073178884 /nfs/dbraw/zinc/17/88/84/1073178884.db2.gz ZMHUHNOYULNSPR-HNNXBMFYSA-N 2 2 449.581 0.000 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C(=O)Nc4nncs4)CC3)C2)CC1 ZINC000672639123 1073179158 /nfs/dbraw/zinc/17/91/58/1073179158.db2.gz ZMHUHNOYULNSPR-OAHLLOKOSA-N 2 2 449.581 0.000 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C(=O)Nc4nncs4)CC3)C2)CC1 ZINC000672639123 1073179154 /nfs/dbraw/zinc/17/91/54/1073179154.db2.gz ZMHUHNOYULNSPR-OAHLLOKOSA-N 2 2 449.581 0.000 20 0 IBADLP COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639141 1073179014 /nfs/dbraw/zinc/17/90/14/1073179014.db2.gz ZTIVTZMIJWESHQ-KSZLIROESA-N 2 2 437.585 -0.339 20 0 IBADLP COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639141 1073179008 /nfs/dbraw/zinc/17/90/08/1073179008.db2.gz ZTIVTZMIJWESHQ-KSZLIROESA-N 2 2 437.585 -0.339 20 0 IBADLP COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639142 1073179126 /nfs/dbraw/zinc/17/91/26/1073179126.db2.gz ZTIVTZMIJWESHQ-KURKYZTESA-N 2 2 437.585 -0.339 20 0 IBADLP COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639142 1073179124 /nfs/dbraw/zinc/17/91/24/1073179124.db2.gz ZTIVTZMIJWESHQ-KURKYZTESA-N 2 2 437.585 -0.339 20 0 IBADLP COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639143 1073178918 /nfs/dbraw/zinc/17/89/18/1073178918.db2.gz ZTIVTZMIJWESHQ-KZNAEPCWSA-N 2 2 437.585 -0.339 20 0 IBADLP COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639143 1073178915 /nfs/dbraw/zinc/17/89/15/1073178915.db2.gz ZTIVTZMIJWESHQ-KZNAEPCWSA-N 2 2 437.585 -0.339 20 0 IBADLP COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639144 1073178984 /nfs/dbraw/zinc/17/89/84/1073178984.db2.gz ZTIVTZMIJWESHQ-RCCFBDPRSA-N 2 2 437.585 -0.339 20 0 IBADLP COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672639144 1073178979 /nfs/dbraw/zinc/17/89/79/1073178979.db2.gz ZTIVTZMIJWESHQ-RCCFBDPRSA-N 2 2 437.585 -0.339 20 0 IBADLP C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639503 1073179142 /nfs/dbraw/zinc/17/91/42/1073179142.db2.gz OTRGQDISZYAWJR-MOPGFXCFSA-N 2 2 448.612 -0.574 20 0 IBADLP C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639503 1073179140 /nfs/dbraw/zinc/17/91/40/1073179140.db2.gz OTRGQDISZYAWJR-MOPGFXCFSA-N 2 2 448.612 -0.574 20 0 IBADLP C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639504 1073178838 /nfs/dbraw/zinc/17/88/38/1073178838.db2.gz OTRGQDISZYAWJR-OALUTQOASA-N 2 2 448.612 -0.574 20 0 IBADLP C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639504 1073178829 /nfs/dbraw/zinc/17/88/29/1073178829.db2.gz OTRGQDISZYAWJR-OALUTQOASA-N 2 2 448.612 -0.574 20 0 IBADLP C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639505 1073178961 /nfs/dbraw/zinc/17/89/61/1073178961.db2.gz OTRGQDISZYAWJR-RBUKOAKNSA-N 2 2 448.612 -0.574 20 0 IBADLP C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639505 1073178949 /nfs/dbraw/zinc/17/89/49/1073178949.db2.gz OTRGQDISZYAWJR-RBUKOAKNSA-N 2 2 448.612 -0.574 20 0 IBADLP C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639506 1073179072 /nfs/dbraw/zinc/17/90/72/1073179072.db2.gz OTRGQDISZYAWJR-RTBURBONSA-N 2 2 448.612 -0.574 20 0 IBADLP C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639506 1073179067 /nfs/dbraw/zinc/17/90/67/1073179067.db2.gz OTRGQDISZYAWJR-RTBURBONSA-N 2 2 448.612 -0.574 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cnc(N4CCOCC4)c(F)c3)C2)CC1 ZINC000672640077 1073179941 /nfs/dbraw/zinc/17/99/41/1073179941.db2.gz HXPSXDGSBSHEIB-KRWDZBQOSA-N 2 2 448.543 -0.042 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cnc(N4CCOCC4)c(F)c3)C2)CC1 ZINC000672640077 1073179938 /nfs/dbraw/zinc/17/99/38/1073179938.db2.gz HXPSXDGSBSHEIB-KRWDZBQOSA-N 2 2 448.543 -0.042 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cnc(N4CCOCC4)c(F)c3)C2)CC1 ZINC000672640078 1073179686 /nfs/dbraw/zinc/17/96/86/1073179686.db2.gz HXPSXDGSBSHEIB-QGZVFWFLSA-N 2 2 448.543 -0.042 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cnc(N4CCOCC4)c(F)c3)C2)CC1 ZINC000672640078 1073179680 /nfs/dbraw/zinc/17/96/80/1073179680.db2.gz HXPSXDGSBSHEIB-QGZVFWFLSA-N 2 2 448.543 -0.042 20 0 IBADLP CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640211 1073180067 /nfs/dbraw/zinc/18/00/67/1073180067.db2.gz UEDOBYVLYINKFQ-MSOLQXFVSA-N 2 2 436.601 -0.670 20 0 IBADLP CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640211 1073180064 /nfs/dbraw/zinc/18/00/64/1073180064.db2.gz UEDOBYVLYINKFQ-MSOLQXFVSA-N 2 2 436.601 -0.670 20 0 IBADLP CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640214 1073179915 /nfs/dbraw/zinc/17/99/15/1073179915.db2.gz UEDOBYVLYINKFQ-QZTJIDSGSA-N 2 2 436.601 -0.670 20 0 IBADLP CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640214 1073179909 /nfs/dbraw/zinc/17/99/09/1073179909.db2.gz UEDOBYVLYINKFQ-QZTJIDSGSA-N 2 2 436.601 -0.670 20 0 IBADLP CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640216 1073179889 /nfs/dbraw/zinc/17/98/89/1073179889.db2.gz UEDOBYVLYINKFQ-ROUUACIJSA-N 2 2 436.601 -0.670 20 0 IBADLP CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640216 1073179885 /nfs/dbraw/zinc/17/98/85/1073179885.db2.gz UEDOBYVLYINKFQ-ROUUACIJSA-N 2 2 436.601 -0.670 20 0 IBADLP CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640217 1073180020 /nfs/dbraw/zinc/18/00/20/1073180020.db2.gz UEDOBYVLYINKFQ-ZWKOTPCHSA-N 2 2 436.601 -0.670 20 0 IBADLP CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640217 1073180018 /nfs/dbraw/zinc/18/00/18/1073180018.db2.gz UEDOBYVLYINKFQ-ZWKOTPCHSA-N 2 2 436.601 -0.670 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)C2)CC1 ZINC000672640374 1073179795 /nfs/dbraw/zinc/17/97/95/1073179795.db2.gz CCXHPEGNUAAUNT-KRWDZBQOSA-N 2 2 443.552 -0.886 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)C2)CC1 ZINC000672640374 1073179793 /nfs/dbraw/zinc/17/97/93/1073179793.db2.gz CCXHPEGNUAAUNT-KRWDZBQOSA-N 2 2 443.552 -0.886 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)C2)CC1 ZINC000672640377 1073179815 /nfs/dbraw/zinc/17/98/15/1073179815.db2.gz CCXHPEGNUAAUNT-QGZVFWFLSA-N 2 2 443.552 -0.886 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)C2)CC1 ZINC000672640377 1073179813 /nfs/dbraw/zinc/17/98/13/1073179813.db2.gz CCXHPEGNUAAUNT-QGZVFWFLSA-N 2 2 443.552 -0.886 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)C2)CC1 ZINC000672640393 1073179848 /nfs/dbraw/zinc/17/98/48/1073179848.db2.gz ZUCBHBVZFKDCKM-APWZRJJASA-N 2 2 428.537 -0.022 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)C2)CC1 ZINC000672640393 1073179845 /nfs/dbraw/zinc/17/98/45/1073179845.db2.gz ZUCBHBVZFKDCKM-APWZRJJASA-N 2 2 428.537 -0.022 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)C2)CC1 ZINC000672640395 1073180044 /nfs/dbraw/zinc/18/00/44/1073180044.db2.gz ZUCBHBVZFKDCKM-LPHOPBHVSA-N 2 2 428.537 -0.022 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)C2)CC1 ZINC000672640395 1073180040 /nfs/dbraw/zinc/18/00/40/1073180040.db2.gz ZUCBHBVZFKDCKM-LPHOPBHVSA-N 2 2 428.537 -0.022 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)C2)CC1 ZINC000672640396 1073179755 /nfs/dbraw/zinc/17/97/55/1073179755.db2.gz ZUCBHBVZFKDCKM-QFBILLFUSA-N 2 2 428.537 -0.022 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)C2)CC1 ZINC000672640396 1073179750 /nfs/dbraw/zinc/17/97/50/1073179750.db2.gz ZUCBHBVZFKDCKM-QFBILLFUSA-N 2 2 428.537 -0.022 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)C2)CC1 ZINC000672640398 1073179833 /nfs/dbraw/zinc/17/98/33/1073179833.db2.gz ZUCBHBVZFKDCKM-VQIMIIECSA-N 2 2 428.537 -0.022 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)C2)CC1 ZINC000672640398 1073179829 /nfs/dbraw/zinc/17/98/29/1073179829.db2.gz ZUCBHBVZFKDCKM-VQIMIIECSA-N 2 2 428.537 -0.022 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000672640425 1073179995 /nfs/dbraw/zinc/17/99/95/1073179995.db2.gz DYNVYHKDWPZDEI-CVEARBPZSA-N 2 2 429.587 -0.941 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000672640425 1073179989 /nfs/dbraw/zinc/17/99/89/1073179989.db2.gz DYNVYHKDWPZDEI-CVEARBPZSA-N 2 2 429.587 -0.941 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000672640426 1073179866 /nfs/dbraw/zinc/17/98/66/1073179866.db2.gz DYNVYHKDWPZDEI-HOTGVXAUSA-N 2 2 429.587 -0.941 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000672640426 1073179864 /nfs/dbraw/zinc/17/98/64/1073179864.db2.gz DYNVYHKDWPZDEI-HOTGVXAUSA-N 2 2 429.587 -0.941 20 0 IBADLP COCc1noc(CN2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672640572 1073179721 /nfs/dbraw/zinc/17/97/21/1073179721.db2.gz KBOYVLMIAMXWJO-INIZCTEOSA-N 2 2 449.556 -0.855 20 0 IBADLP COCc1noc(CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672640572 1073179718 /nfs/dbraw/zinc/17/97/18/1073179718.db2.gz KBOYVLMIAMXWJO-INIZCTEOSA-N 2 2 449.556 -0.855 20 0 IBADLP COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672640576 1073179965 /nfs/dbraw/zinc/17/99/65/1073179965.db2.gz KBOYVLMIAMXWJO-MRXNPFEDSA-N 2 2 449.556 -0.855 20 0 IBADLP COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)n1 ZINC000672640576 1073179960 /nfs/dbraw/zinc/17/99/60/1073179960.db2.gz KBOYVLMIAMXWJO-MRXNPFEDSA-N 2 2 449.556 -0.855 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000672640627 1073180562 /nfs/dbraw/zinc/18/05/62/1073180562.db2.gz DYNVYHKDWPZDEI-HZPDHXFCSA-N 2 2 429.587 -0.941 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000672640627 1073180560 /nfs/dbraw/zinc/18/05/60/1073180560.db2.gz DYNVYHKDWPZDEI-HZPDHXFCSA-N 2 2 429.587 -0.941 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000672640628 1073180668 /nfs/dbraw/zinc/18/06/68/1073180668.db2.gz DYNVYHKDWPZDEI-JKSUJKDBSA-N 2 2 429.587 -0.941 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)C2)CC1 ZINC000672640628 1073180663 /nfs/dbraw/zinc/18/06/63/1073180663.db2.gz DYNVYHKDWPZDEI-JKSUJKDBSA-N 2 2 429.587 -0.941 20 0 IBADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000672641140 1073180761 /nfs/dbraw/zinc/18/07/61/1073180761.db2.gz NIUXMAFPNVWHAD-CTNGQTDRSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000672641140 1073180752 /nfs/dbraw/zinc/18/07/52/1073180752.db2.gz NIUXMAFPNVWHAD-CTNGQTDRSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641140 1073180746 /nfs/dbraw/zinc/18/07/46/1073180746.db2.gz NIUXMAFPNVWHAD-CTNGQTDRSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641140 1073180739 /nfs/dbraw/zinc/18/07/39/1073180739.db2.gz NIUXMAFPNVWHAD-CTNGQTDRSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000672641142 1073180877 /nfs/dbraw/zinc/18/08/77/1073180877.db2.gz NIUXMAFPNVWHAD-FPOVZHCZSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000672641142 1073180873 /nfs/dbraw/zinc/18/08/73/1073180873.db2.gz NIUXMAFPNVWHAD-FPOVZHCZSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641142 1073180871 /nfs/dbraw/zinc/18/08/71/1073180871.db2.gz NIUXMAFPNVWHAD-FPOVZHCZSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641142 1073180868 /nfs/dbraw/zinc/18/08/68/1073180868.db2.gz NIUXMAFPNVWHAD-FPOVZHCZSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000672641143 1073180849 /nfs/dbraw/zinc/18/08/49/1073180849.db2.gz NIUXMAFPNVWHAD-PZJWPPBQSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000672641143 1073180846 /nfs/dbraw/zinc/18/08/46/1073180846.db2.gz NIUXMAFPNVWHAD-PZJWPPBQSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641143 1073180842 /nfs/dbraw/zinc/18/08/42/1073180842.db2.gz NIUXMAFPNVWHAD-PZJWPPBQSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641143 1073180837 /nfs/dbraw/zinc/18/08/37/1073180837.db2.gz NIUXMAFPNVWHAD-PZJWPPBQSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2)CC1 ZINC000672641145 1073180931 /nfs/dbraw/zinc/18/09/31/1073180931.db2.gz NIUXMAFPNVWHAD-TZIWHRDSSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2)CC1 ZINC000672641145 1073180928 /nfs/dbraw/zinc/18/09/28/1073180928.db2.gz NIUXMAFPNVWHAD-TZIWHRDSSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641145 1073180924 /nfs/dbraw/zinc/18/09/24/1073180924.db2.gz NIUXMAFPNVWHAD-TZIWHRDSSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[NH+]4C)CC3)C2)CC1 ZINC000672641145 1073180923 /nfs/dbraw/zinc/18/09/23/1073180923.db2.gz NIUXMAFPNVWHAD-TZIWHRDSSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](N4CCCS4(=O)=O)C3)C2)CC1 ZINC000672641157 1073180905 /nfs/dbraw/zinc/18/09/05/1073180905.db2.gz MEACVHTZXLJFRW-AEFFLSMTSA-N 2 2 441.598 -0.702 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](N4CCCS4(=O)=O)C3)C2)CC1 ZINC000672641157 1073180902 /nfs/dbraw/zinc/18/09/02/1073180902.db2.gz MEACVHTZXLJFRW-AEFFLSMTSA-N 2 2 441.598 -0.702 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)C2)CC1 ZINC000672641167 1073180890 /nfs/dbraw/zinc/18/08/90/1073180890.db2.gz MEACVHTZXLJFRW-FUHWJXTLSA-N 2 2 441.598 -0.702 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)C2)CC1 ZINC000672641167 1073180886 /nfs/dbraw/zinc/18/08/86/1073180886.db2.gz MEACVHTZXLJFRW-FUHWJXTLSA-N 2 2 441.598 -0.702 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)C2)CC1 ZINC000672641168 1073180580 /nfs/dbraw/zinc/18/05/80/1073180580.db2.gz MEACVHTZXLJFRW-SJLPKXTDSA-N 2 2 441.598 -0.702 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)C2)CC1 ZINC000672641168 1073180576 /nfs/dbraw/zinc/18/05/76/1073180576.db2.gz MEACVHTZXLJFRW-SJLPKXTDSA-N 2 2 441.598 -0.702 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](N4CCCS4(=O)=O)C3)C2)CC1 ZINC000672641169 1073180784 /nfs/dbraw/zinc/18/07/84/1073180784.db2.gz MEACVHTZXLJFRW-WMZOPIPTSA-N 2 2 441.598 -0.702 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](N4CCCS4(=O)=O)C3)C2)CC1 ZINC000672641169 1073180780 /nfs/dbraw/zinc/18/07/80/1073180780.db2.gz MEACVHTZXLJFRW-WMZOPIPTSA-N 2 2 441.598 -0.702 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)C2)CC1 ZINC000672641374 1073180600 /nfs/dbraw/zinc/18/06/00/1073180600.db2.gz PRMLCJWISUMYPS-IBGZPJMESA-N 2 2 448.612 -0.572 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)C2)CC1 ZINC000672641374 1073180596 /nfs/dbraw/zinc/18/05/96/1073180596.db2.gz PRMLCJWISUMYPS-IBGZPJMESA-N 2 2 448.612 -0.572 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)C2)CC1 ZINC000672641375 1073180642 /nfs/dbraw/zinc/18/06/42/1073180642.db2.gz PRMLCJWISUMYPS-LJQANCHMSA-N 2 2 448.612 -0.572 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)C2)CC1 ZINC000672641375 1073180636 /nfs/dbraw/zinc/18/06/36/1073180636.db2.gz PRMLCJWISUMYPS-LJQANCHMSA-N 2 2 448.612 -0.572 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2)CC1 ZINC000672641520 1073179774 /nfs/dbraw/zinc/17/97/74/1073179774.db2.gz QWNDWILSIOKJFZ-INIZCTEOSA-N 2 2 443.552 -0.886 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2)CC1 ZINC000672641520 1073179773 /nfs/dbraw/zinc/17/97/73/1073179773.db2.gz QWNDWILSIOKJFZ-INIZCTEOSA-N 2 2 443.552 -0.886 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2)CC1 ZINC000672641521 1073179649 /nfs/dbraw/zinc/17/96/49/1073179649.db2.gz QWNDWILSIOKJFZ-MRXNPFEDSA-N 2 2 443.552 -0.886 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncccc4C(N)=O)CC3)C2)CC1 ZINC000672641521 1073179648 /nfs/dbraw/zinc/17/96/48/1073179648.db2.gz QWNDWILSIOKJFZ-MRXNPFEDSA-N 2 2 443.552 -0.886 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672641820 1073180523 /nfs/dbraw/zinc/18/05/23/1073180523.db2.gz XOKCLELUQSEPDG-GOSISDBHSA-N 3 2 434.585 -0.962 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672641820 1073180517 /nfs/dbraw/zinc/18/05/17/1073180517.db2.gz XOKCLELUQSEPDG-GOSISDBHSA-N 3 2 434.585 -0.962 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672641826 1073180547 /nfs/dbraw/zinc/18/05/47/1073180547.db2.gz XOKCLELUQSEPDG-SFHVURJKSA-N 3 2 434.585 -0.962 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)CC1 ZINC000672641826 1073180543 /nfs/dbraw/zinc/18/05/43/1073180543.db2.gz XOKCLELUQSEPDG-SFHVURJKSA-N 3 2 434.585 -0.962 20 0 IBADLP COc1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1OCCO ZINC000672641847 1073180432 /nfs/dbraw/zinc/18/04/32/1073180432.db2.gz YEJVGRHGVPUFTC-KRWDZBQOSA-N 2 2 434.537 -0.033 20 0 IBADLP COc1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1OCCO ZINC000672641847 1073180425 /nfs/dbraw/zinc/18/04/25/1073180425.db2.gz YEJVGRHGVPUFTC-KRWDZBQOSA-N 2 2 434.537 -0.033 20 0 IBADLP COc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1OCCO ZINC000672641848 1073181456 /nfs/dbraw/zinc/18/14/56/1073181456.db2.gz YEJVGRHGVPUFTC-QGZVFWFLSA-N 2 2 434.537 -0.033 20 0 IBADLP COc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1OCCO ZINC000672641848 1073181455 /nfs/dbraw/zinc/18/14/55/1073181455.db2.gz YEJVGRHGVPUFTC-QGZVFWFLSA-N 2 2 434.537 -0.033 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642311 1073180475 /nfs/dbraw/zinc/18/04/75/1073180475.db2.gz GASOSFKSZAICLR-GOSISDBHSA-N 3 2 436.601 -0.716 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642311 1073180467 /nfs/dbraw/zinc/18/04/67/1073180467.db2.gz GASOSFKSZAICLR-GOSISDBHSA-N 3 2 436.601 -0.716 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642312 1073180502 /nfs/dbraw/zinc/18/05/02/1073180502.db2.gz GASOSFKSZAICLR-SFHVURJKSA-N 3 2 436.601 -0.716 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642312 1073180498 /nfs/dbraw/zinc/18/04/98/1073180498.db2.gz GASOSFKSZAICLR-SFHVURJKSA-N 3 2 436.601 -0.716 20 0 IBADLP COc1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)ncn1 ZINC000672642452 1073180811 /nfs/dbraw/zinc/18/08/11/1073180811.db2.gz LGDABSVFOYKMTA-INIZCTEOSA-N 2 2 431.541 -0.582 20 0 IBADLP COc1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)ncn1 ZINC000672642452 1073180806 /nfs/dbraw/zinc/18/08/06/1073180806.db2.gz LGDABSVFOYKMTA-INIZCTEOSA-N 2 2 431.541 -0.582 20 0 IBADLP COc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)ncn1 ZINC000672642453 1073180702 /nfs/dbraw/zinc/18/07/02/1073180702.db2.gz LGDABSVFOYKMTA-MRXNPFEDSA-N 2 2 431.541 -0.582 20 0 IBADLP COc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)ncn1 ZINC000672642453 1073180696 /nfs/dbraw/zinc/18/06/96/1073180696.db2.gz LGDABSVFOYKMTA-MRXNPFEDSA-N 2 2 431.541 -0.582 20 0 IBADLP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642571 1073181492 /nfs/dbraw/zinc/18/14/92/1073181492.db2.gz CSILEPDNPUAJKX-AEFFLSMTSA-N 2 2 434.585 -0.918 20 0 IBADLP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642571 1073181488 /nfs/dbraw/zinc/18/14/88/1073181488.db2.gz CSILEPDNPUAJKX-AEFFLSMTSA-N 2 2 434.585 -0.918 20 0 IBADLP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642572 1073181410 /nfs/dbraw/zinc/18/14/10/1073181410.db2.gz CSILEPDNPUAJKX-FUHWJXTLSA-N 2 2 434.585 -0.918 20 0 IBADLP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642572 1073181407 /nfs/dbraw/zinc/18/14/07/1073181407.db2.gz CSILEPDNPUAJKX-FUHWJXTLSA-N 2 2 434.585 -0.918 20 0 IBADLP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642573 1073181537 /nfs/dbraw/zinc/18/15/37/1073181537.db2.gz CSILEPDNPUAJKX-SJLPKXTDSA-N 2 2 434.585 -0.918 20 0 IBADLP C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642573 1073181532 /nfs/dbraw/zinc/18/15/32/1073181532.db2.gz CSILEPDNPUAJKX-SJLPKXTDSA-N 2 2 434.585 -0.918 20 0 IBADLP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642574 1073181583 /nfs/dbraw/zinc/18/15/83/1073181583.db2.gz CSILEPDNPUAJKX-WMZOPIPTSA-N 2 2 434.585 -0.918 20 0 IBADLP C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672642574 1073181577 /nfs/dbraw/zinc/18/15/77/1073181577.db2.gz CSILEPDNPUAJKX-WMZOPIPTSA-N 2 2 434.585 -0.918 20 0 IBADLP Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000672642575 1073181335 /nfs/dbraw/zinc/18/13/35/1073181335.db2.gz CTJCTKYFKFSOKJ-DOTOQJQBSA-N 2 2 431.541 -0.684 20 0 IBADLP Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000672642575 1073181333 /nfs/dbraw/zinc/18/13/33/1073181333.db2.gz CTJCTKYFKFSOKJ-DOTOQJQBSA-N 2 2 431.541 -0.684 20 0 IBADLP Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000672642576 1073181609 /nfs/dbraw/zinc/18/16/09/1073181609.db2.gz CTJCTKYFKFSOKJ-NVXWUHKLSA-N 2 2 431.541 -0.684 20 0 IBADLP Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000672642576 1073181604 /nfs/dbraw/zinc/18/16/04/1073181604.db2.gz CTJCTKYFKFSOKJ-NVXWUHKLSA-N 2 2 431.541 -0.684 20 0 IBADLP Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000672642577 1073181442 /nfs/dbraw/zinc/18/14/42/1073181442.db2.gz CTJCTKYFKFSOKJ-RDJZCZTQSA-N 2 2 431.541 -0.684 20 0 IBADLP Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000672642577 1073181439 /nfs/dbraw/zinc/18/14/39/1073181439.db2.gz CTJCTKYFKFSOKJ-RDJZCZTQSA-N 2 2 431.541 -0.684 20 0 IBADLP Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000672642578 1073181317 /nfs/dbraw/zinc/18/13/17/1073181317.db2.gz CTJCTKYFKFSOKJ-WBVHZDCISA-N 2 2 431.541 -0.684 20 0 IBADLP Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000672642578 1073181313 /nfs/dbraw/zinc/18/13/13/1073181313.db2.gz CTJCTKYFKFSOKJ-WBVHZDCISA-N 2 2 431.541 -0.684 20 0 IBADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672642590 1073181268 /nfs/dbraw/zinc/18/12/68/1073181268.db2.gz OIQUNKZNPHFIEB-GOSISDBHSA-N 3 2 432.569 -0.077 20 0 IBADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672642590 1073181264 /nfs/dbraw/zinc/18/12/64/1073181264.db2.gz OIQUNKZNPHFIEB-GOSISDBHSA-N 3 2 432.569 -0.077 20 0 IBADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672642591 1073181346 /nfs/dbraw/zinc/18/13/46/1073181346.db2.gz OIQUNKZNPHFIEB-SFHVURJKSA-N 3 2 432.569 -0.077 20 0 IBADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672642591 1073181343 /nfs/dbraw/zinc/18/13/43/1073181343.db2.gz OIQUNKZNPHFIEB-SFHVURJKSA-N 3 2 432.569 -0.077 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(CC(=O)N4CCCC4)CC3)C2)CC1 ZINC000672642841 1073182081 /nfs/dbraw/zinc/18/20/81/1073182081.db2.gz WFOKCSKRVITYOI-GOSISDBHSA-N 2 2 434.585 -0.962 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(CC(=O)N4CCCC4)CC3)C2)CC1 ZINC000672642841 1073182075 /nfs/dbraw/zinc/18/20/75/1073182075.db2.gz WFOKCSKRVITYOI-GOSISDBHSA-N 2 2 434.585 -0.962 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(CC(=O)N4CCCC4)CC3)C2)CC1 ZINC000672642842 1073182170 /nfs/dbraw/zinc/18/21/70/1073182170.db2.gz WFOKCSKRVITYOI-SFHVURJKSA-N 2 2 434.585 -0.962 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(CC(=O)N4CCCC4)CC3)C2)CC1 ZINC000672642842 1073182169 /nfs/dbraw/zinc/18/21/69/1073182169.db2.gz WFOKCSKRVITYOI-SFHVURJKSA-N 2 2 434.585 -0.962 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672642957 1073181630 /nfs/dbraw/zinc/18/16/30/1073181630.db2.gz YQWANULXCPOPIF-DZGCQCFKSA-N 2 2 433.475 -0.059 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672642957 1073181628 /nfs/dbraw/zinc/18/16/28/1073181628.db2.gz YQWANULXCPOPIF-DZGCQCFKSA-N 2 2 433.475 -0.059 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672642960 1073181471 /nfs/dbraw/zinc/18/14/71/1073181471.db2.gz YQWANULXCPOPIF-HIFRSBDPSA-N 2 2 433.475 -0.059 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672642960 1073181469 /nfs/dbraw/zinc/18/14/69/1073181469.db2.gz YQWANULXCPOPIF-HIFRSBDPSA-N 2 2 433.475 -0.059 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672642962 1073181294 /nfs/dbraw/zinc/18/12/94/1073181294.db2.gz YQWANULXCPOPIF-UKRRQHHQSA-N 2 2 433.475 -0.059 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672642962 1073181292 /nfs/dbraw/zinc/18/12/92/1073181292.db2.gz YQWANULXCPOPIF-UKRRQHHQSA-N 2 2 433.475 -0.059 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672642964 1073181388 /nfs/dbraw/zinc/18/13/88/1073181388.db2.gz YQWANULXCPOPIF-ZFWWWQNUSA-N 2 2 433.475 -0.059 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672642964 1073181384 /nfs/dbraw/zinc/18/13/84/1073181384.db2.gz YQWANULXCPOPIF-ZFWWWQNUSA-N 2 2 433.475 -0.059 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000672643004 1073181563 /nfs/dbraw/zinc/18/15/63/1073181563.db2.gz ZYWGLFBMEMKGFV-AEFFLSMTSA-N 2 2 443.614 -0.409 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000672643004 1073181559 /nfs/dbraw/zinc/18/15/59/1073181559.db2.gz ZYWGLFBMEMKGFV-AEFFLSMTSA-N 2 2 443.614 -0.409 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000672643008 1073181425 /nfs/dbraw/zinc/18/14/25/1073181425.db2.gz ZYWGLFBMEMKGFV-FUHWJXTLSA-N 2 2 443.614 -0.409 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000672643008 1073181423 /nfs/dbraw/zinc/18/14/23/1073181423.db2.gz ZYWGLFBMEMKGFV-FUHWJXTLSA-N 2 2 443.614 -0.409 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000672643009 1073181373 /nfs/dbraw/zinc/18/13/73/1073181373.db2.gz ZYWGLFBMEMKGFV-SJLPKXTDSA-N 2 2 443.614 -0.409 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000672643009 1073181368 /nfs/dbraw/zinc/18/13/68/1073181368.db2.gz ZYWGLFBMEMKGFV-SJLPKXTDSA-N 2 2 443.614 -0.409 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000672643011 1073182128 /nfs/dbraw/zinc/18/21/28/1073182128.db2.gz ZYWGLFBMEMKGFV-WMZOPIPTSA-N 2 2 443.614 -0.409 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000672643011 1073182127 /nfs/dbraw/zinc/18/21/27/1073182127.db2.gz ZYWGLFBMEMKGFV-WMZOPIPTSA-N 2 2 443.614 -0.409 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000672643092 1073181655 /nfs/dbraw/zinc/18/16/55/1073181655.db2.gz PBTQETFPAGMKKY-KRWDZBQOSA-N 2 2 428.537 -0.349 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000672643092 1073181648 /nfs/dbraw/zinc/18/16/48/1073181648.db2.gz PBTQETFPAGMKKY-KRWDZBQOSA-N 2 2 428.537 -0.349 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000672643093 1073181514 /nfs/dbraw/zinc/18/15/14/1073181514.db2.gz PBTQETFPAGMKKY-QGZVFWFLSA-N 2 2 428.537 -0.349 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000672643093 1073181512 /nfs/dbraw/zinc/18/15/12/1073181512.db2.gz PBTQETFPAGMKKY-QGZVFWFLSA-N 2 2 428.537 -0.349 20 0 IBADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000672689891 1073184300 /nfs/dbraw/zinc/18/43/00/1073184300.db2.gz FQARPIGDCCJZHK-GOSISDBHSA-N 2 2 445.568 -0.048 20 0 IBADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000672689891 1073184290 /nfs/dbraw/zinc/18/42/90/1073184290.db2.gz FQARPIGDCCJZHK-GOSISDBHSA-N 2 2 445.568 -0.048 20 0 IBADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000672689892 1073184252 /nfs/dbraw/zinc/18/42/52/1073184252.db2.gz FQARPIGDCCJZHK-SFHVURJKSA-N 2 2 445.568 -0.048 20 0 IBADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000672689892 1073184247 /nfs/dbraw/zinc/18/42/47/1073184247.db2.gz FQARPIGDCCJZHK-SFHVURJKSA-N 2 2 445.568 -0.048 20 0 IBADLP CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1F ZINC000672969767 1073191515 /nfs/dbraw/zinc/19/15/15/1073191515.db2.gz JUCXFBCKWHTZPH-AWEZNQCLSA-N 2 2 441.529 -0.043 20 0 IBADLP CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1F ZINC000672969767 1073191512 /nfs/dbraw/zinc/19/15/12/1073191512.db2.gz JUCXFBCKWHTZPH-AWEZNQCLSA-N 2 2 441.529 -0.043 20 0 IBADLP CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1F ZINC000672969768 1073191378 /nfs/dbraw/zinc/19/13/78/1073191378.db2.gz JUCXFBCKWHTZPH-CQSZACIVSA-N 2 2 441.529 -0.043 20 0 IBADLP CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1F ZINC000672969768 1073191375 /nfs/dbraw/zinc/19/13/75/1073191375.db2.gz JUCXFBCKWHTZPH-CQSZACIVSA-N 2 2 441.529 -0.043 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673059275 1073194252 /nfs/dbraw/zinc/19/42/52/1073194252.db2.gz FRWPSRDWIRBKEP-AEFFLSMTSA-N 2 2 431.541 -0.732 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673059275 1073194247 /nfs/dbraw/zinc/19/42/47/1073194247.db2.gz FRWPSRDWIRBKEP-AEFFLSMTSA-N 2 2 431.541 -0.732 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673059276 1073194273 /nfs/dbraw/zinc/19/42/73/1073194273.db2.gz FRWPSRDWIRBKEP-FUHWJXTLSA-N 2 2 431.541 -0.732 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673059276 1073194270 /nfs/dbraw/zinc/19/42/70/1073194270.db2.gz FRWPSRDWIRBKEP-FUHWJXTLSA-N 2 2 431.541 -0.732 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673059277 1073194072 /nfs/dbraw/zinc/19/40/72/1073194072.db2.gz FRWPSRDWIRBKEP-SJLPKXTDSA-N 2 2 431.541 -0.732 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673059277 1073194061 /nfs/dbraw/zinc/19/40/61/1073194061.db2.gz FRWPSRDWIRBKEP-SJLPKXTDSA-N 2 2 431.541 -0.732 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673059278 1073194642 /nfs/dbraw/zinc/19/46/42/1073194642.db2.gz FRWPSRDWIRBKEP-WMZOPIPTSA-N 2 2 431.541 -0.732 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673059278 1073194641 /nfs/dbraw/zinc/19/46/41/1073194641.db2.gz FRWPSRDWIRBKEP-WMZOPIPTSA-N 2 2 431.541 -0.732 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673265563 1073200886 /nfs/dbraw/zinc/20/08/86/1073200886.db2.gz BNJYZOFBZKZVNU-MSOLQXFVSA-N 2 2 445.568 -0.341 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673265563 1073200878 /nfs/dbraw/zinc/20/08/78/1073200878.db2.gz BNJYZOFBZKZVNU-MSOLQXFVSA-N 2 2 445.568 -0.341 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673265566 1073200775 /nfs/dbraw/zinc/20/07/75/1073200775.db2.gz BNJYZOFBZKZVNU-QZTJIDSGSA-N 2 2 445.568 -0.341 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673265566 1073200766 /nfs/dbraw/zinc/20/07/66/1073200766.db2.gz BNJYZOFBZKZVNU-QZTJIDSGSA-N 2 2 445.568 -0.341 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673265569 1073200830 /nfs/dbraw/zinc/20/08/30/1073200830.db2.gz BNJYZOFBZKZVNU-ROUUACIJSA-N 2 2 445.568 -0.341 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673265569 1073200823 /nfs/dbraw/zinc/20/08/23/1073200823.db2.gz BNJYZOFBZKZVNU-ROUUACIJSA-N 2 2 445.568 -0.341 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673265571 1073200958 /nfs/dbraw/zinc/20/09/58/1073200958.db2.gz BNJYZOFBZKZVNU-ZWKOTPCHSA-N 2 2 445.568 -0.341 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673265571 1073200954 /nfs/dbraw/zinc/20/09/54/1073200954.db2.gz BNJYZOFBZKZVNU-ZWKOTPCHSA-N 2 2 445.568 -0.341 20 0 IBADLP Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332000 1073203934 /nfs/dbraw/zinc/20/39/34/1073203934.db2.gz WPDMZPMBWTYNDW-MSOLQXFVSA-N 2 2 445.568 -0.423 20 0 IBADLP Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332000 1073203931 /nfs/dbraw/zinc/20/39/31/1073203931.db2.gz WPDMZPMBWTYNDW-MSOLQXFVSA-N 2 2 445.568 -0.423 20 0 IBADLP Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332001 1073203805 /nfs/dbraw/zinc/20/38/05/1073203805.db2.gz WPDMZPMBWTYNDW-QZTJIDSGSA-N 2 2 445.568 -0.423 20 0 IBADLP Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332001 1073203799 /nfs/dbraw/zinc/20/37/99/1073203799.db2.gz WPDMZPMBWTYNDW-QZTJIDSGSA-N 2 2 445.568 -0.423 20 0 IBADLP Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332002 1073203973 /nfs/dbraw/zinc/20/39/73/1073203973.db2.gz WPDMZPMBWTYNDW-ROUUACIJSA-N 2 2 445.568 -0.423 20 0 IBADLP Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332002 1073203970 /nfs/dbraw/zinc/20/39/70/1073203970.db2.gz WPDMZPMBWTYNDW-ROUUACIJSA-N 2 2 445.568 -0.423 20 0 IBADLP Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332003 1073203885 /nfs/dbraw/zinc/20/38/85/1073203885.db2.gz WPDMZPMBWTYNDW-ZWKOTPCHSA-N 2 2 445.568 -0.423 20 0 IBADLP Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332003 1073203879 /nfs/dbraw/zinc/20/38/79/1073203879.db2.gz WPDMZPMBWTYNDW-ZWKOTPCHSA-N 2 2 445.568 -0.423 20 0 IBADLP Cc1cc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332411 1073204772 /nfs/dbraw/zinc/20/47/72/1073204772.db2.gz DWUUSBDULFZNLT-DOTOQJQBSA-N 2 2 431.541 -0.765 20 0 IBADLP Cc1cc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332411 1073204767 /nfs/dbraw/zinc/20/47/67/1073204767.db2.gz DWUUSBDULFZNLT-DOTOQJQBSA-N 2 2 431.541 -0.765 20 0 IBADLP Cc1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332412 1073204731 /nfs/dbraw/zinc/20/47/31/1073204731.db2.gz DWUUSBDULFZNLT-NVXWUHKLSA-N 2 2 431.541 -0.765 20 0 IBADLP Cc1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332412 1073204730 /nfs/dbraw/zinc/20/47/30/1073204730.db2.gz DWUUSBDULFZNLT-NVXWUHKLSA-N 2 2 431.541 -0.765 20 0 IBADLP Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332414 1073204691 /nfs/dbraw/zinc/20/46/91/1073204691.db2.gz DWUUSBDULFZNLT-RDJZCZTQSA-N 2 2 431.541 -0.765 20 0 IBADLP Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332414 1073204688 /nfs/dbraw/zinc/20/46/88/1073204688.db2.gz DWUUSBDULFZNLT-RDJZCZTQSA-N 2 2 431.541 -0.765 20 0 IBADLP Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332416 1073204658 /nfs/dbraw/zinc/20/46/58/1073204658.db2.gz DWUUSBDULFZNLT-WBVHZDCISA-N 2 2 431.541 -0.765 20 0 IBADLP Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000673332416 1073204654 /nfs/dbraw/zinc/20/46/54/1073204654.db2.gz DWUUSBDULFZNLT-WBVHZDCISA-N 2 2 431.541 -0.765 20 0 IBADLP COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673337634 1073205798 /nfs/dbraw/zinc/20/57/98/1073205798.db2.gz DCRYWZFTGMXZKV-CEXWTWQISA-N 2 2 426.558 -0.450 20 0 IBADLP COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673337634 1073205792 /nfs/dbraw/zinc/20/57/92/1073205792.db2.gz DCRYWZFTGMXZKV-CEXWTWQISA-N 2 2 426.558 -0.450 20 0 IBADLP COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673337635 1073205749 /nfs/dbraw/zinc/20/57/49/1073205749.db2.gz DCRYWZFTGMXZKV-GBESFXJTSA-N 2 2 426.558 -0.450 20 0 IBADLP COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673337635 1073205742 /nfs/dbraw/zinc/20/57/42/1073205742.db2.gz DCRYWZFTGMXZKV-GBESFXJTSA-N 2 2 426.558 -0.450 20 0 IBADLP COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673337636 1073205711 /nfs/dbraw/zinc/20/57/11/1073205711.db2.gz DCRYWZFTGMXZKV-GUDVDZBRSA-N 2 2 426.558 -0.450 20 0 IBADLP COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673337636 1073205701 /nfs/dbraw/zinc/20/57/01/1073205701.db2.gz DCRYWZFTGMXZKV-GUDVDZBRSA-N 2 2 426.558 -0.450 20 0 IBADLP COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673337637 1073205608 /nfs/dbraw/zinc/20/56/08/1073205608.db2.gz DCRYWZFTGMXZKV-IPMKNSEASA-N 2 2 426.558 -0.450 20 0 IBADLP COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673337637 1073205603 /nfs/dbraw/zinc/20/56/03/1073205603.db2.gz DCRYWZFTGMXZKV-IPMKNSEASA-N 2 2 426.558 -0.450 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC000673668759 1073241354 /nfs/dbraw/zinc/24/13/54/1073241354.db2.gz IXRADKYYGWLTQV-CVEARBPZSA-N 2 2 449.577 -0.028 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC000673668759 1073241346 /nfs/dbraw/zinc/24/13/46/1073241346.db2.gz IXRADKYYGWLTQV-CVEARBPZSA-N 2 2 449.577 -0.028 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC000673668760 1073241381 /nfs/dbraw/zinc/24/13/81/1073241381.db2.gz IXRADKYYGWLTQV-HOTGVXAUSA-N 2 2 449.577 -0.028 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC000673668760 1073241375 /nfs/dbraw/zinc/24/13/75/1073241375.db2.gz IXRADKYYGWLTQV-HOTGVXAUSA-N 2 2 449.577 -0.028 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC000673668761 1073241462 /nfs/dbraw/zinc/24/14/62/1073241462.db2.gz IXRADKYYGWLTQV-HZPDHXFCSA-N 2 2 449.577 -0.028 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC000673668761 1073241456 /nfs/dbraw/zinc/24/14/56/1073241456.db2.gz IXRADKYYGWLTQV-HZPDHXFCSA-N 2 2 449.577 -0.028 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC000673668762 1073241492 /nfs/dbraw/zinc/24/14/92/1073241492.db2.gz IXRADKYYGWLTQV-JKSUJKDBSA-N 2 2 449.577 -0.028 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC000673668762 1073241487 /nfs/dbraw/zinc/24/14/87/1073241487.db2.gz IXRADKYYGWLTQV-JKSUJKDBSA-N 2 2 449.577 -0.028 20 0 IBADLP CN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673669195 1073241243 /nfs/dbraw/zinc/24/12/43/1073241243.db2.gz FFCURIWOUPUWQR-AWEZNQCLSA-N 2 2 426.543 -0.981 20 0 IBADLP CN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673669195 1073241236 /nfs/dbraw/zinc/24/12/36/1073241236.db2.gz FFCURIWOUPUWQR-AWEZNQCLSA-N 2 2 426.543 -0.981 20 0 IBADLP CN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673669201 1073241213 /nfs/dbraw/zinc/24/12/13/1073241213.db2.gz FFCURIWOUPUWQR-CQSZACIVSA-N 2 2 426.543 -0.981 20 0 IBADLP CN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673669201 1073241209 /nfs/dbraw/zinc/24/12/09/1073241209.db2.gz FFCURIWOUPUWQR-CQSZACIVSA-N 2 2 426.543 -0.981 20 0 IBADLP CS(=O)(=O)N[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000674231976 1073262111 /nfs/dbraw/zinc/26/21/11/1073262111.db2.gz LYRXQPZEIXNJGY-HOTGVXAUSA-N 2 2 426.605 -0.970 20 0 IBADLP CS(=O)(=O)N[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000674231976 1073262108 /nfs/dbraw/zinc/26/21/08/1073262108.db2.gz LYRXQPZEIXNJGY-HOTGVXAUSA-N 2 2 426.605 -0.970 20 0 IBADLP CS(=O)(=O)N[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000674231980 1073262051 /nfs/dbraw/zinc/26/20/51/1073262051.db2.gz LYRXQPZEIXNJGY-HZPDHXFCSA-N 2 2 426.605 -0.970 20 0 IBADLP CS(=O)(=O)N[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000674231980 1073262044 /nfs/dbraw/zinc/26/20/44/1073262044.db2.gz LYRXQPZEIXNJGY-HZPDHXFCSA-N 2 2 426.605 -0.970 20 0 IBADLP CS(=O)(=O)N[C@@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000674231981 1073261928 /nfs/dbraw/zinc/26/19/28/1073261928.db2.gz LYRXQPZEIXNJGY-IYBDPMFKSA-N 2 2 426.605 -0.970 20 0 IBADLP CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000674231981 1073261917 /nfs/dbraw/zinc/26/19/17/1073261917.db2.gz LYRXQPZEIXNJGY-IYBDPMFKSA-N 2 2 426.605 -0.970 20 0 IBADLP CS(=O)(=O)N[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000674231981 1073261911 /nfs/dbraw/zinc/26/19/11/1073261911.db2.gz LYRXQPZEIXNJGY-IYBDPMFKSA-N 2 2 426.605 -0.970 20 0 IBADLP CS(=O)(=O)N[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000674231981 1073261902 /nfs/dbraw/zinc/26/19/02/1073261902.db2.gz LYRXQPZEIXNJGY-IYBDPMFKSA-N 2 2 426.605 -0.970 20 0 IBADLP CNc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000675142712 1073275765 /nfs/dbraw/zinc/27/57/65/1073275765.db2.gz CWEUUIFBAWVXEL-OALUTQOASA-N 2 2 446.600 -0.063 20 0 IBADLP CNc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000675142713 1073275957 /nfs/dbraw/zinc/27/59/57/1073275957.db2.gz CWEUUIFBAWVXEL-RTBURBONSA-N 2 2 446.600 -0.063 20 0 IBADLP C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675623164 1073284762 /nfs/dbraw/zinc/28/47/62/1073284762.db2.gz MANPXKNJNCFUHQ-GDBMZVCRSA-N 2 2 437.566 -0.263 20 0 IBADLP C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675623164 1073284759 /nfs/dbraw/zinc/28/47/59/1073284759.db2.gz MANPXKNJNCFUHQ-GDBMZVCRSA-N 2 2 437.566 -0.263 20 0 IBADLP C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675623170 1073284789 /nfs/dbraw/zinc/28/47/89/1073284789.db2.gz MANPXKNJNCFUHQ-GOEBONIOSA-N 2 2 437.566 -0.263 20 0 IBADLP C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675623170 1073284786 /nfs/dbraw/zinc/28/47/86/1073284786.db2.gz MANPXKNJNCFUHQ-GOEBONIOSA-N 2 2 437.566 -0.263 20 0 IBADLP C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675623171 1073284700 /nfs/dbraw/zinc/28/47/00/1073284700.db2.gz MANPXKNJNCFUHQ-HOCLYGCPSA-N 2 2 437.566 -0.263 20 0 IBADLP C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675623171 1073284695 /nfs/dbraw/zinc/28/46/95/1073284695.db2.gz MANPXKNJNCFUHQ-HOCLYGCPSA-N 2 2 437.566 -0.263 20 0 IBADLP C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675623172 1073284720 /nfs/dbraw/zinc/28/47/20/1073284720.db2.gz MANPXKNJNCFUHQ-ZBFHGGJFSA-N 2 2 437.566 -0.263 20 0 IBADLP C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675623172 1073284716 /nfs/dbraw/zinc/28/47/16/1073284716.db2.gz MANPXKNJNCFUHQ-ZBFHGGJFSA-N 2 2 437.566 -0.263 20 0 IBADLP CS(=O)(=O)N1CCC([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000675762821 1073285580 /nfs/dbraw/zinc/28/55/80/1073285580.db2.gz YWISVQSQIMUYEJ-UHFFFAOYSA-N 2 2 431.584 -0.453 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676091886 1073290102 /nfs/dbraw/zinc/29/01/02/1073290102.db2.gz MEUMGJXWSTYDOP-UHFFFAOYSA-N 2 2 426.485 -0.591 20 0 IBADLP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000676096028 1073289196 /nfs/dbraw/zinc/28/91/96/1073289196.db2.gz OQBHRUPDVKNZBZ-UHFFFAOYSA-N 2 2 442.524 -0.367 20 0 IBADLP Cc1cccn2cc(CCNC(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)[nH+]c12 ZINC000676097224 1073289753 /nfs/dbraw/zinc/28/97/53/1073289753.db2.gz KMZPFSMDNMGAME-UHFFFAOYSA-N 2 2 440.508 -0.186 20 0 IBADLP COCCCS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000676295151 1073295452 /nfs/dbraw/zinc/29/54/52/1073295452.db2.gz JIEULBUHDHKVIZ-KRWDZBQOSA-N 2 2 431.603 -0.152 20 0 IBADLP COCCCS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000676295151 1073295444 /nfs/dbraw/zinc/29/54/44/1073295444.db2.gz JIEULBUHDHKVIZ-KRWDZBQOSA-N 2 2 431.603 -0.152 20 0 IBADLP COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000676295152 1073295576 /nfs/dbraw/zinc/29/55/76/1073295576.db2.gz JIEULBUHDHKVIZ-QGZVFWFLSA-N 2 2 431.603 -0.152 20 0 IBADLP COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000676295152 1073295574 /nfs/dbraw/zinc/29/55/74/1073295574.db2.gz JIEULBUHDHKVIZ-QGZVFWFLSA-N 2 2 431.603 -0.152 20 0 IBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000676546708 1073299350 /nfs/dbraw/zinc/29/93/50/1073299350.db2.gz NKQIWERGHYNRIO-IBGZPJMESA-N 2 2 434.541 -0.133 20 0 IBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000676546708 1073299346 /nfs/dbraw/zinc/29/93/46/1073299346.db2.gz NKQIWERGHYNRIO-IBGZPJMESA-N 2 2 434.541 -0.133 20 0 IBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000676546709 1073299413 /nfs/dbraw/zinc/29/94/13/1073299413.db2.gz NKQIWERGHYNRIO-LJQANCHMSA-N 2 2 434.541 -0.133 20 0 IBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000676546709 1073299410 /nfs/dbraw/zinc/29/94/10/1073299410.db2.gz NKQIWERGHYNRIO-LJQANCHMSA-N 2 2 434.541 -0.133 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000676546934 1073299319 /nfs/dbraw/zinc/29/93/19/1073299319.db2.gz VTDKRNOXZUIKEM-GOSISDBHSA-N 2 2 434.541 -0.133 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000676546934 1073299313 /nfs/dbraw/zinc/29/93/13/1073299313.db2.gz VTDKRNOXZUIKEM-GOSISDBHSA-N 2 2 434.541 -0.133 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000676546935 1073299258 /nfs/dbraw/zinc/29/92/58/1073299258.db2.gz VTDKRNOXZUIKEM-SFHVURJKSA-N 2 2 434.541 -0.133 20 0 IBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000676546935 1073299251 /nfs/dbraw/zinc/29/92/51/1073299251.db2.gz VTDKRNOXZUIKEM-SFHVURJKSA-N 2 2 434.541 -0.133 20 0 IBADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)C1 ZINC000676550512 1073298211 /nfs/dbraw/zinc/29/82/11/1073298211.db2.gz JRAVFTPWUITTCM-IBGZPJMESA-N 2 2 433.557 -0.608 20 0 IBADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)C1 ZINC000676550512 1073298204 /nfs/dbraw/zinc/29/82/04/1073298204.db2.gz JRAVFTPWUITTCM-IBGZPJMESA-N 2 2 433.557 -0.608 20 0 IBADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)C1 ZINC000676550513 1073298158 /nfs/dbraw/zinc/29/81/58/1073298158.db2.gz JRAVFTPWUITTCM-LJQANCHMSA-N 2 2 433.557 -0.608 20 0 IBADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)C1 ZINC000676550513 1073298151 /nfs/dbraw/zinc/29/81/51/1073298151.db2.gz JRAVFTPWUITTCM-LJQANCHMSA-N 2 2 433.557 -0.608 20 0 IBADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)C1 ZINC000676550742 1073298807 /nfs/dbraw/zinc/29/88/07/1073298807.db2.gz ZFAVFODQTHRRPZ-GOSISDBHSA-N 2 2 433.557 -0.608 20 0 IBADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)C1 ZINC000676550742 1073298799 /nfs/dbraw/zinc/29/87/99/1073298799.db2.gz ZFAVFODQTHRRPZ-GOSISDBHSA-N 2 2 433.557 -0.608 20 0 IBADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)C1 ZINC000676550743 1073298717 /nfs/dbraw/zinc/29/87/17/1073298717.db2.gz ZFAVFODQTHRRPZ-SFHVURJKSA-N 2 2 433.557 -0.608 20 0 IBADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)C1 ZINC000676550743 1073298710 /nfs/dbraw/zinc/29/87/10/1073298710.db2.gz ZFAVFODQTHRRPZ-SFHVURJKSA-N 2 2 433.557 -0.608 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cn1 ZINC000677467119 1072734912 /nfs/dbraw/zinc/73/49/12/1072734912.db2.gz RFESTEGFXAIYMT-GOSISDBHSA-N 2 2 427.509 -0.198 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cn1 ZINC000677467119 1072734904 /nfs/dbraw/zinc/73/49/04/1072734904.db2.gz RFESTEGFXAIYMT-GOSISDBHSA-N 2 2 427.509 -0.198 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cn1 ZINC000677467120 1072734995 /nfs/dbraw/zinc/73/49/95/1072734995.db2.gz RFESTEGFXAIYMT-SFHVURJKSA-N 2 2 427.509 -0.198 20 0 IBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cn1 ZINC000677467120 1072734991 /nfs/dbraw/zinc/73/49/91/1072734991.db2.gz RFESTEGFXAIYMT-SFHVURJKSA-N 2 2 427.509 -0.198 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)C2)CC1 ZINC000679607735 1072753684 /nfs/dbraw/zinc/75/36/84/1072753684.db2.gz WSKUEPKRMXXIMA-HKUYNNGSSA-N 2 2 443.614 -0.009 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)C2)CC1 ZINC000679607735 1072753680 /nfs/dbraw/zinc/75/36/80/1072753680.db2.gz WSKUEPKRMXXIMA-HKUYNNGSSA-N 2 2 443.614 -0.009 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)C2)CC1 ZINC000679607741 1072753721 /nfs/dbraw/zinc/75/37/21/1072753721.db2.gz WSKUEPKRMXXIMA-IEBWSBKVSA-N 2 2 443.614 -0.009 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)C2)CC1 ZINC000679607741 1072753717 /nfs/dbraw/zinc/75/37/17/1072753717.db2.gz WSKUEPKRMXXIMA-IEBWSBKVSA-N 2 2 443.614 -0.009 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)C2)CC1 ZINC000679607743 1072753928 /nfs/dbraw/zinc/75/39/28/1072753928.db2.gz WSKUEPKRMXXIMA-MJGOQNOKSA-N 2 2 443.614 -0.009 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)C2)CC1 ZINC000679607743 1072753918 /nfs/dbraw/zinc/75/39/18/1072753918.db2.gz WSKUEPKRMXXIMA-MJGOQNOKSA-N 2 2 443.614 -0.009 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)C2)CC1 ZINC000679607745 1072753820 /nfs/dbraw/zinc/75/38/20/1072753820.db2.gz WSKUEPKRMXXIMA-PKOBYXMFSA-N 2 2 443.614 -0.009 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)C2)CC1 ZINC000679607745 1072753813 /nfs/dbraw/zinc/75/38/13/1072753813.db2.gz WSKUEPKRMXXIMA-PKOBYXMFSA-N 2 2 443.614 -0.009 20 0 IBADLP C[NH+]1CCN(CC(=O)NCC[C@H](NC(=O)CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000680597633 1072779183 /nfs/dbraw/zinc/77/91/83/1072779183.db2.gz QSUMOSIGWLNJFR-NRFANRHFSA-N 2 2 430.597 -0.155 20 0 IBADLP C[NH+]1CCN(CC(=O)NCC[C@@H](NC(=O)CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000680597635 1072779042 /nfs/dbraw/zinc/77/90/42/1072779042.db2.gz QSUMOSIGWLNJFR-OAQYLSRUSA-N 2 2 430.597 -0.155 20 0 IBADLP C[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc(CC(=O)N3CC[NH+](C[C@H](C)O)CC3)cc2)CC1 ZINC000680868568 1072779852 /nfs/dbraw/zinc/77/98/52/1072779852.db2.gz CSCMXJKVPNVUSR-BGYRXZFFSA-N 2 2 446.592 -0.178 20 0 IBADLP CN(C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681215344 1072785270 /nfs/dbraw/zinc/78/52/70/1072785270.db2.gz UEOYKYSPZMDSKX-GOSISDBHSA-N 2 2 430.619 -0.627 20 0 IBADLP CN(C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681215344 1072785263 /nfs/dbraw/zinc/78/52/63/1072785263.db2.gz UEOYKYSPZMDSKX-GOSISDBHSA-N 2 2 430.619 -0.627 20 0 IBADLP CN(C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681215347 1072785473 /nfs/dbraw/zinc/78/54/73/1072785473.db2.gz UEOYKYSPZMDSKX-SFHVURJKSA-N 2 2 430.619 -0.627 20 0 IBADLP CN(C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681215347 1072785465 /nfs/dbraw/zinc/78/54/65/1072785465.db2.gz UEOYKYSPZMDSKX-SFHVURJKSA-N 2 2 430.619 -0.627 20 0 IBADLP CN(C(=O)NCCNS(=O)(=O)Cc1ccon1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218177 1072785415 /nfs/dbraw/zinc/78/54/15/1072785415.db2.gz VLPUCXXTEJAUPU-KRWDZBQOSA-N 2 2 428.559 -0.096 20 0 IBADLP CN(C(=O)NCCNS(=O)(=O)Cc1ccon1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218177 1072785406 /nfs/dbraw/zinc/78/54/06/1072785406.db2.gz VLPUCXXTEJAUPU-KRWDZBQOSA-N 2 2 428.559 -0.096 20 0 IBADLP CN(C(=O)NCCNS(=O)(=O)Cc1ccon1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218179 1072785588 /nfs/dbraw/zinc/78/55/88/1072785588.db2.gz VLPUCXXTEJAUPU-QGZVFWFLSA-N 2 2 428.559 -0.096 20 0 IBADLP CN(C(=O)NCCNS(=O)(=O)Cc1ccon1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218179 1072785580 /nfs/dbraw/zinc/78/55/80/1072785580.db2.gz VLPUCXXTEJAUPU-QGZVFWFLSA-N 2 2 428.559 -0.096 20 0 IBADLP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000681784601 1072790883 /nfs/dbraw/zinc/79/08/83/1072790883.db2.gz HOIFYQYWJMGUMF-UHFFFAOYSA-N 2 2 430.553 -0.001 20 0 IBADLP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000681784601 1072790867 /nfs/dbraw/zinc/79/08/67/1072790867.db2.gz HOIFYQYWJMGUMF-UHFFFAOYSA-N 2 2 430.553 -0.001 20 0 IBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000682222269 1072796872 /nfs/dbraw/zinc/79/68/72/1072796872.db2.gz MTHTVUPUGYEFPN-UHFFFAOYSA-N 3 2 432.569 -0.036 20 0 IBADLP CN(C(=O)C(=O)Nc1cnn(CC2CC2)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000682227858 1072796605 /nfs/dbraw/zinc/79/66/05/1072796605.db2.gz ATSFSMHKYVGVKM-UHFFFAOYSA-N 2 2 445.568 -0.072 20 0 IBADLP CN(C(=O)C(=O)Nc1cnc(C2CC2)nc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000682228405 1072796818 /nfs/dbraw/zinc/79/68/18/1072796818.db2.gz WBPIWAXTMDXABU-UHFFFAOYSA-N 2 2 443.552 -0.011 20 0 IBADLP Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc2)c1=O ZINC000682269660 1072797410 /nfs/dbraw/zinc/79/74/10/1072797410.db2.gz BBASZGVSLUXIIH-INIZCTEOSA-N 2 2 427.509 -0.206 20 0 IBADLP Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc2)c1=O ZINC000682269660 1072797407 /nfs/dbraw/zinc/79/74/07/1072797407.db2.gz BBASZGVSLUXIIH-INIZCTEOSA-N 2 2 427.509 -0.206 20 0 IBADLP Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc2)c1=O ZINC000682269661 1072797374 /nfs/dbraw/zinc/79/73/74/1072797374.db2.gz BBASZGVSLUXIIH-MRXNPFEDSA-N 2 2 427.509 -0.206 20 0 IBADLP Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc2)c1=O ZINC000682269661 1072797369 /nfs/dbraw/zinc/79/73/69/1072797369.db2.gz BBASZGVSLUXIIH-MRXNPFEDSA-N 2 2 427.509 -0.206 20 0 IBADLP COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1-n1cnnn1 ZINC000682269672 1072797203 /nfs/dbraw/zinc/79/72/03/1072797203.db2.gz BOHGOTXUWOTXSJ-HNNXBMFYSA-N 2 2 428.497 -0.106 20 0 IBADLP COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1-n1cnnn1 ZINC000682269672 1072797196 /nfs/dbraw/zinc/79/71/96/1072797196.db2.gz BOHGOTXUWOTXSJ-HNNXBMFYSA-N 2 2 428.497 -0.106 20 0 IBADLP COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1-n1cnnn1 ZINC000682269673 1072797455 /nfs/dbraw/zinc/79/74/55/1072797455.db2.gz BOHGOTXUWOTXSJ-OAHLLOKOSA-N 2 2 428.497 -0.106 20 0 IBADLP COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1-n1cnnn1 ZINC000682269673 1072797446 /nfs/dbraw/zinc/79/74/46/1072797446.db2.gz BOHGOTXUWOTXSJ-OAHLLOKOSA-N 2 2 428.497 -0.106 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)C2)CC1 ZINC000682269966 1072797492 /nfs/dbraw/zinc/79/74/92/1072797492.db2.gz FMNFJQUXWGUJNH-CYBMUJFWSA-N 2 2 427.502 -0.304 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)C2)CC1 ZINC000682269966 1072797487 /nfs/dbraw/zinc/79/74/87/1072797487.db2.gz FMNFJQUXWGUJNH-CYBMUJFWSA-N 2 2 427.502 -0.304 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)C2)CC1 ZINC000682269967 1072797350 /nfs/dbraw/zinc/79/73/50/1072797350.db2.gz FMNFJQUXWGUJNH-ZDUSSCGKSA-N 2 2 427.502 -0.304 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)C2)CC1 ZINC000682269967 1072797344 /nfs/dbraw/zinc/79/73/44/1072797344.db2.gz FMNFJQUXWGUJNH-ZDUSSCGKSA-N 2 2 427.502 -0.304 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C2)CC1 ZINC000682270141 1072798072 /nfs/dbraw/zinc/79/80/72/1072798072.db2.gz SAXYWIJGVXUBGM-KRWDZBQOSA-N 2 2 442.520 -0.038 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C2)CC1 ZINC000682270141 1072798067 /nfs/dbraw/zinc/79/80/67/1072798067.db2.gz SAXYWIJGVXUBGM-KRWDZBQOSA-N 2 2 442.520 -0.038 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C2)CC1 ZINC000682270142 1072797965 /nfs/dbraw/zinc/79/79/65/1072797965.db2.gz SAXYWIJGVXUBGM-QGZVFWFLSA-N 2 2 442.520 -0.038 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C2)CC1 ZINC000682270142 1072797958 /nfs/dbraw/zinc/79/79/58/1072797958.db2.gz SAXYWIJGVXUBGM-QGZVFWFLSA-N 2 2 442.520 -0.038 20 0 IBADLP CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc2O1 ZINC000682270489 1072797831 /nfs/dbraw/zinc/79/78/31/1072797831.db2.gz WPKICYZCVFHYSW-BEFAXECRSA-N 2 2 429.521 -0.189 20 0 IBADLP CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc2O1 ZINC000682270489 1072797826 /nfs/dbraw/zinc/79/78/26/1072797826.db2.gz WPKICYZCVFHYSW-BEFAXECRSA-N 2 2 429.521 -0.189 20 0 IBADLP CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc2O1 ZINC000682270491 1072798117 /nfs/dbraw/zinc/79/81/17/1072798117.db2.gz WPKICYZCVFHYSW-DNVCBOLYSA-N 2 2 429.521 -0.189 20 0 IBADLP CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc2O1 ZINC000682270491 1072798113 /nfs/dbraw/zinc/79/81/13/1072798113.db2.gz WPKICYZCVFHYSW-DNVCBOLYSA-N 2 2 429.521 -0.189 20 0 IBADLP CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc2O1 ZINC000682270493 1072797992 /nfs/dbraw/zinc/79/79/92/1072797992.db2.gz WPKICYZCVFHYSW-HNAYVOBHSA-N 2 2 429.521 -0.189 20 0 IBADLP CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc2O1 ZINC000682270493 1072797990 /nfs/dbraw/zinc/79/79/90/1072797990.db2.gz WPKICYZCVFHYSW-HNAYVOBHSA-N 2 2 429.521 -0.189 20 0 IBADLP CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc2O1 ZINC000682270494 1072798303 /nfs/dbraw/zinc/79/83/03/1072798303.db2.gz WPKICYZCVFHYSW-KXBFYZLASA-N 2 2 429.521 -0.189 20 0 IBADLP CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc2O1 ZINC000682270494 1072798295 /nfs/dbraw/zinc/79/82/95/1072798295.db2.gz WPKICYZCVFHYSW-KXBFYZLASA-N 2 2 429.521 -0.189 20 0 IBADLP CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000682270691 1072797930 /nfs/dbraw/zinc/79/79/30/1072797930.db2.gz YAEZOHKZINFENS-INIZCTEOSA-N 2 2 449.577 -0.232 20 0 IBADLP CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000682270691 1072797926 /nfs/dbraw/zinc/79/79/26/1072797926.db2.gz YAEZOHKZINFENS-INIZCTEOSA-N 2 2 449.577 -0.232 20 0 IBADLP CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000682270696 1072798047 /nfs/dbraw/zinc/79/80/47/1072798047.db2.gz YAEZOHKZINFENS-MRXNPFEDSA-N 2 2 449.577 -0.232 20 0 IBADLP CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000682270696 1072798039 /nfs/dbraw/zinc/79/80/39/1072798039.db2.gz YAEZOHKZINFENS-MRXNPFEDSA-N 2 2 449.577 -0.232 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C2)CC1 ZINC000682273416 1072798256 /nfs/dbraw/zinc/79/82/56/1072798256.db2.gz GDSGOXPQEBSERM-KRWDZBQOSA-N 2 2 442.520 -0.038 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C2)CC1 ZINC000682273416 1072798248 /nfs/dbraw/zinc/79/82/48/1072798248.db2.gz GDSGOXPQEBSERM-KRWDZBQOSA-N 2 2 442.520 -0.038 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C2)CC1 ZINC000682273417 1072798097 /nfs/dbraw/zinc/79/80/97/1072798097.db2.gz GDSGOXPQEBSERM-QGZVFWFLSA-N 2 2 442.520 -0.038 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C2)CC1 ZINC000682273417 1072798092 /nfs/dbraw/zinc/79/80/92/1072798092.db2.gz GDSGOXPQEBSERM-QGZVFWFLSA-N 2 2 442.520 -0.038 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)C2)CC1 ZINC000682275411 1072798876 /nfs/dbraw/zinc/79/88/76/1072798876.db2.gz ROYONARURXAAKR-KRWDZBQOSA-N 2 2 437.566 -0.041 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)C2)CC1 ZINC000682275411 1072798865 /nfs/dbraw/zinc/79/88/65/1072798865.db2.gz ROYONARURXAAKR-KRWDZBQOSA-N 2 2 437.566 -0.041 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)C2)CC1 ZINC000682275412 1072798967 /nfs/dbraw/zinc/79/89/67/1072798967.db2.gz ROYONARURXAAKR-QGZVFWFLSA-N 2 2 437.566 -0.041 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)C2)CC1 ZINC000682275412 1072798949 /nfs/dbraw/zinc/79/89/49/1072798949.db2.gz ROYONARURXAAKR-QGZVFWFLSA-N 2 2 437.566 -0.041 20 0 IBADLP C[NH+]1CCN(CC(=O)NCCN(CCC(F)(F)F)C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000682943129 1072809923 /nfs/dbraw/zinc/80/99/23/1072809923.db2.gz JTQFERWUTYUYRQ-UHFFFAOYSA-N 2 2 436.523 -0.622 20 0 IBADLP CCOC1CC(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)([NH+]2CCOCC2)C1 ZINC000683478304 1070880360 /nfs/dbraw/zinc/88/03/60/1070880360.db2.gz JPNXGKRTBFLXSG-VRKFHHGPSA-N 2 2 439.601 -0.038 20 0 IBADLP CCOC1CC(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)([NH+]2CCOCC2)C1 ZINC000683478304 1070880340 /nfs/dbraw/zinc/88/03/40/1070880340.db2.gz JPNXGKRTBFLXSG-VRKFHHGPSA-N 2 2 439.601 -0.038 20 0 IBADLP CCOC1CC(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)([NH+]2CCOCC2)C1 ZINC000683478312 1070880075 /nfs/dbraw/zinc/88/00/75/1070880075.db2.gz JPNXGKRTBFLXSG-YMISUZCDSA-N 2 2 439.601 -0.038 20 0 IBADLP CCOC1CC(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)([NH+]2CCOCC2)C1 ZINC000683478312 1070880053 /nfs/dbraw/zinc/88/00/53/1070880053.db2.gz JPNXGKRTBFLXSG-YMISUZCDSA-N 2 2 439.601 -0.038 20 0 IBADLP CN1CCC2(CC[NH+](CC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)CC2)C1=O ZINC000683674093 1070894968 /nfs/dbraw/zinc/89/49/68/1070894968.db2.gz LUGWVJRCEOKXFM-UHFFFAOYSA-N 2 2 426.525 -0.044 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000683848773 1070919247 /nfs/dbraw/zinc/91/92/47/1070919247.db2.gz SKSSYXFPEXDIIZ-MOPGFXCFSA-N 2 2 449.596 -0.460 20 0 IBADLP Cc1cn(C)c(CC(=O)N2CC[NH+](C[C@H](C)O)CC2)c1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000683848775 1070919339 /nfs/dbraw/zinc/91/93/39/1070919339.db2.gz SKSSYXFPEXDIIZ-RBUKOAKNSA-N 2 2 449.596 -0.460 20 0 IBADLP c1nc2nc(N3CC[NH+]([C@@H]4CCOC4)CC3)cc(N3CC[NH+]([C@H]4CCOC4)CC3)n2n1 ZINC000684578954 1071034862 /nfs/dbraw/zinc/03/48/62/1071034862.db2.gz ZPDWVEGCVWUNPJ-MSOLQXFVSA-N 2 2 428.541 -0.054 20 0 IBADLP c1nc2nc(N3CC[NH+]([C@@H]4CCOC4)CC3)cc(N3CC[NH+]([C@@H]4CCOC4)CC3)n2n1 ZINC000684578955 1071034920 /nfs/dbraw/zinc/03/49/20/1071034920.db2.gz ZPDWVEGCVWUNPJ-QZTJIDSGSA-N 2 2 428.541 -0.054 20 0 IBADLP c1nc2nc(N3CC[NH+]([C@H]4CCOC4)CC3)cc(N3CC[NH+]([C@H]4CCOC4)CC3)n2n1 ZINC000684578956 1071034877 /nfs/dbraw/zinc/03/48/77/1071034877.db2.gz ZPDWVEGCVWUNPJ-ROUUACIJSA-N 2 2 428.541 -0.054 20 0 IBADLP c1nc2nc(N3CC[NH+]([C@H]4CCOC4)CC3)cc(N3CC[NH+]([C@@H]4CCOC4)CC3)n2n1 ZINC000684578957 1071034903 /nfs/dbraw/zinc/03/49/03/1071034903.db2.gz ZPDWVEGCVWUNPJ-ZWKOTPCHSA-N 2 2 428.541 -0.054 20 0 IBADLP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685113262 1071158005 /nfs/dbraw/zinc/15/80/05/1071158005.db2.gz FZKFSKIPNGAIBQ-DOTOQJQBSA-N 2 2 425.574 -0.435 20 0 IBADLP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685113262 1071157996 /nfs/dbraw/zinc/15/79/96/1071157996.db2.gz FZKFSKIPNGAIBQ-DOTOQJQBSA-N 2 2 425.574 -0.435 20 0 IBADLP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685113271 1071158119 /nfs/dbraw/zinc/15/81/19/1071158119.db2.gz FZKFSKIPNGAIBQ-NVXWUHKLSA-N 2 2 425.574 -0.435 20 0 IBADLP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685113271 1071158114 /nfs/dbraw/zinc/15/81/14/1071158114.db2.gz FZKFSKIPNGAIBQ-NVXWUHKLSA-N 2 2 425.574 -0.435 20 0 IBADLP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685113273 1071157935 /nfs/dbraw/zinc/15/79/35/1071157935.db2.gz FZKFSKIPNGAIBQ-RDJZCZTQSA-N 2 2 425.574 -0.435 20 0 IBADLP C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685113273 1071157929 /nfs/dbraw/zinc/15/79/29/1071157929.db2.gz FZKFSKIPNGAIBQ-RDJZCZTQSA-N 2 2 425.574 -0.435 20 0 IBADLP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685113275 1071158301 /nfs/dbraw/zinc/15/83/01/1071158301.db2.gz FZKFSKIPNGAIBQ-WBVHZDCISA-N 2 2 425.574 -0.435 20 0 IBADLP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685113275 1071158295 /nfs/dbraw/zinc/15/82/95/1071158295.db2.gz FZKFSKIPNGAIBQ-WBVHZDCISA-N 2 2 425.574 -0.435 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166876 1071177768 /nfs/dbraw/zinc/17/77/68/1071177768.db2.gz ONUVSZFRJBHJCF-AYBZRNKSSA-N 2 2 445.568 -0.343 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166876 1071177767 /nfs/dbraw/zinc/17/77/67/1071177767.db2.gz ONUVSZFRJBHJCF-AYBZRNKSSA-N 2 2 445.568 -0.343 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166887 1071178814 /nfs/dbraw/zinc/17/88/14/1071178814.db2.gz ONUVSZFRJBHJCF-HHXXYDBFSA-N 2 2 445.568 -0.343 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166887 1071178805 /nfs/dbraw/zinc/17/88/05/1071178805.db2.gz ONUVSZFRJBHJCF-HHXXYDBFSA-N 2 2 445.568 -0.343 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166890 1071179129 /nfs/dbraw/zinc/17/91/29/1071179129.db2.gz ONUVSZFRJBHJCF-SUMDDJOVSA-N 2 2 445.568 -0.343 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166890 1071179121 /nfs/dbraw/zinc/17/91/21/1071179121.db2.gz ONUVSZFRJBHJCF-SUMDDJOVSA-N 2 2 445.568 -0.343 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166892 1071179085 /nfs/dbraw/zinc/17/90/85/1071179085.db2.gz ONUVSZFRJBHJCF-SZVBFZGTSA-N 2 2 445.568 -0.343 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166892 1071179066 /nfs/dbraw/zinc/17/90/66/1071179066.db2.gz ONUVSZFRJBHJCF-SZVBFZGTSA-N 2 2 445.568 -0.343 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685174536 1071192893 /nfs/dbraw/zinc/19/28/93/1071192893.db2.gz HEHYVIIOGZIPJL-CRAIPNDOSA-N 2 2 433.557 -0.486 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685174536 1071192886 /nfs/dbraw/zinc/19/28/86/1071192886.db2.gz HEHYVIIOGZIPJL-CRAIPNDOSA-N 2 2 433.557 -0.486 20 0 IBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685174537 1071192708 /nfs/dbraw/zinc/19/27/08/1071192708.db2.gz HEHYVIIOGZIPJL-MAUKXSAKSA-N 2 2 433.557 -0.486 20 0 IBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685174537 1071192705 /nfs/dbraw/zinc/19/27/05/1071192705.db2.gz HEHYVIIOGZIPJL-MAUKXSAKSA-N 2 2 433.557 -0.486 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685174538 1071192796 /nfs/dbraw/zinc/19/27/96/1071192796.db2.gz HEHYVIIOGZIPJL-QAPCUYQASA-N 2 2 433.557 -0.486 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685174538 1071192789 /nfs/dbraw/zinc/19/27/89/1071192789.db2.gz HEHYVIIOGZIPJL-QAPCUYQASA-N 2 2 433.557 -0.486 20 0 IBADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685174540 1071192821 /nfs/dbraw/zinc/19/28/21/1071192821.db2.gz HEHYVIIOGZIPJL-YJBOKZPZSA-N 2 2 433.557 -0.486 20 0 IBADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000685174540 1071192817 /nfs/dbraw/zinc/19/28/17/1071192817.db2.gz HEHYVIIOGZIPJL-YJBOKZPZSA-N 2 2 433.557 -0.486 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685176237 1071194637 /nfs/dbraw/zinc/19/46/37/1071194637.db2.gz VHVAWQSLJWNDEI-IIDMSEBBSA-N 2 2 431.541 -0.685 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685176237 1071194634 /nfs/dbraw/zinc/19/46/34/1071194634.db2.gz VHVAWQSLJWNDEI-IIDMSEBBSA-N 2 2 431.541 -0.685 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685176239 1071194593 /nfs/dbraw/zinc/19/45/93/1071194593.db2.gz VHVAWQSLJWNDEI-RKVPGOIHSA-N 2 2 431.541 -0.685 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685176239 1071194589 /nfs/dbraw/zinc/19/45/89/1071194589.db2.gz VHVAWQSLJWNDEI-RKVPGOIHSA-N 2 2 431.541 -0.685 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685176240 1071194533 /nfs/dbraw/zinc/19/45/33/1071194533.db2.gz VHVAWQSLJWNDEI-RVKKMQEKSA-N 2 2 431.541 -0.685 20 0 IBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685176240 1071194528 /nfs/dbraw/zinc/19/45/28/1071194528.db2.gz VHVAWQSLJWNDEI-RVKKMQEKSA-N 2 2 431.541 -0.685 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685176242 1071194554 /nfs/dbraw/zinc/19/45/54/1071194554.db2.gz VHVAWQSLJWNDEI-VKJFTORMSA-N 2 2 431.541 -0.685 20 0 IBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685176242 1071194549 /nfs/dbraw/zinc/19/45/49/1071194549.db2.gz VHVAWQSLJWNDEI-VKJFTORMSA-N 2 2 431.541 -0.685 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000685340009 1071235190 /nfs/dbraw/zinc/23/51/90/1071235190.db2.gz OCYWWSDKSDIAHA-HKUYNNGSSA-N 2 2 437.585 -0.386 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000685340009 1071235178 /nfs/dbraw/zinc/23/51/78/1071235178.db2.gz OCYWWSDKSDIAHA-HKUYNNGSSA-N 2 2 437.585 -0.386 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000685340011 1071234884 /nfs/dbraw/zinc/23/48/84/1071234884.db2.gz OCYWWSDKSDIAHA-IEBWSBKVSA-N 2 2 437.585 -0.386 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000685340011 1071234877 /nfs/dbraw/zinc/23/48/77/1071234877.db2.gz OCYWWSDKSDIAHA-IEBWSBKVSA-N 2 2 437.585 -0.386 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000685340013 1071234974 /nfs/dbraw/zinc/23/49/74/1071234974.db2.gz OCYWWSDKSDIAHA-MJGOQNOKSA-N 2 2 437.585 -0.386 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000685340013 1071234966 /nfs/dbraw/zinc/23/49/66/1071234966.db2.gz OCYWWSDKSDIAHA-MJGOQNOKSA-N 2 2 437.585 -0.386 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000685340015 1071234830 /nfs/dbraw/zinc/23/48/30/1071234830.db2.gz OCYWWSDKSDIAHA-PKOBYXMFSA-N 2 2 437.585 -0.386 20 0 IBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000685340015 1071234821 /nfs/dbraw/zinc/23/48/21/1071234821.db2.gz OCYWWSDKSDIAHA-PKOBYXMFSA-N 2 2 437.585 -0.386 20 0 IBADLP CN(C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685403011 1071242129 /nfs/dbraw/zinc/24/21/29/1071242129.db2.gz DPAXJRUMOLZQBH-IAGOWNOFSA-N 2 2 429.587 -0.847 20 0 IBADLP CN(C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685403011 1071242126 /nfs/dbraw/zinc/24/21/26/1071242126.db2.gz DPAXJRUMOLZQBH-IAGOWNOFSA-N 2 2 429.587 -0.847 20 0 IBADLP CN(C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685403012 1071242270 /nfs/dbraw/zinc/24/22/70/1071242270.db2.gz DPAXJRUMOLZQBH-SJORKVTESA-N 2 2 429.587 -0.847 20 0 IBADLP CN(C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685403012 1071242258 /nfs/dbraw/zinc/24/22/58/1071242258.db2.gz DPAXJRUMOLZQBH-SJORKVTESA-N 2 2 429.587 -0.847 20 0 IBADLP O=C(CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000728576182 1071200171 /nfs/dbraw/zinc/20/01/71/1071200171.db2.gz OBLAARFAFCSJSC-UHFFFAOYSA-N 2 2 434.541 -0.098 20 0 IBADLP CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C2=O ZINC000728925848 1071518884 /nfs/dbraw/zinc/51/88/84/1071518884.db2.gz NONUUTWSTYUHBK-UHFFFAOYSA-N 2 2 436.557 -0.092 20 0 IBADLP CN(C(=O)CS[C@H]1CCS(=O)(=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980723 1073385924 /nfs/dbraw/zinc/38/59/24/1073385924.db2.gz TXXKUDZPSNLBFA-KRWDZBQOSA-N 2 2 446.639 -0.397 20 0 IBADLP CN(C(=O)CS[C@@H]1CCS(=O)(=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980724 1073385875 /nfs/dbraw/zinc/38/58/75/1073385875.db2.gz TXXKUDZPSNLBFA-QGZVFWFLSA-N 2 2 446.639 -0.397 20 0 IBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000731686425 1073403015 /nfs/dbraw/zinc/40/30/15/1073403015.db2.gz VRGMVSUAQQLLQV-UHFFFAOYSA-N 2 2 429.587 -0.555 20 0 IBADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000731687498 1073403577 /nfs/dbraw/zinc/40/35/77/1073403577.db2.gz RRSTYASPOPOGEH-AEFFLSMTSA-N 2 2 428.599 -0.056 20 0 IBADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000731687498 1073403568 /nfs/dbraw/zinc/40/35/68/1073403568.db2.gz RRSTYASPOPOGEH-AEFFLSMTSA-N 2 2 428.599 -0.056 20 0 IBADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000731687499 1073403501 /nfs/dbraw/zinc/40/35/01/1073403501.db2.gz RRSTYASPOPOGEH-FUHWJXTLSA-N 2 2 428.599 -0.056 20 0 IBADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000731687499 1073403497 /nfs/dbraw/zinc/40/34/97/1073403497.db2.gz RRSTYASPOPOGEH-FUHWJXTLSA-N 2 2 428.599 -0.056 20 0 IBADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000731687500 1073403708 /nfs/dbraw/zinc/40/37/08/1073403708.db2.gz RRSTYASPOPOGEH-SJLPKXTDSA-N 2 2 428.599 -0.056 20 0 IBADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000731687500 1073403702 /nfs/dbraw/zinc/40/37/02/1073403702.db2.gz RRSTYASPOPOGEH-SJLPKXTDSA-N 2 2 428.599 -0.056 20 0 IBADLP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000731687501 1073403743 /nfs/dbraw/zinc/40/37/43/1073403743.db2.gz RRSTYASPOPOGEH-WMZOPIPTSA-N 2 2 428.599 -0.056 20 0 IBADLP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000731687501 1073403737 /nfs/dbraw/zinc/40/37/37/1073403737.db2.gz RRSTYASPOPOGEH-WMZOPIPTSA-N 2 2 428.599 -0.056 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731759668 1073409391 /nfs/dbraw/zinc/40/93/91/1073409391.db2.gz TWHYAQMRSJNOTF-KRWDZBQOSA-N 2 2 431.603 -0.263 20 0 IBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731759668 1073409387 /nfs/dbraw/zinc/40/93/87/1073409387.db2.gz TWHYAQMRSJNOTF-KRWDZBQOSA-N 2 2 431.603 -0.263 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731759669 1073409501 /nfs/dbraw/zinc/40/95/01/1073409501.db2.gz TWHYAQMRSJNOTF-QGZVFWFLSA-N 2 2 431.603 -0.263 20 0 IBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731759669 1073409498 /nfs/dbraw/zinc/40/94/98/1073409498.db2.gz TWHYAQMRSJNOTF-QGZVFWFLSA-N 2 2 431.603 -0.263 20 0 IBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731760807 1073409528 /nfs/dbraw/zinc/40/95/28/1073409528.db2.gz AWFSNRNKYATSRQ-UHFFFAOYSA-N 2 2 431.603 -0.309 20 0 IBADLP CN(C(=O)CNC(=O)OCC(F)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000732079001 1073419408 /nfs/dbraw/zinc/41/94/08/1073419408.db2.gz IXFCKKSVABTXCJ-UHFFFAOYSA-N 2 2 437.463 -0.028 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000735588873 1073489826 /nfs/dbraw/zinc/48/98/26/1073489826.db2.gz DSMYDKKEZZYOIX-MOPGFXCFSA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000735588873 1073489821 /nfs/dbraw/zinc/48/98/21/1073489821.db2.gz DSMYDKKEZZYOIX-MOPGFXCFSA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000735588874 1073489900 /nfs/dbraw/zinc/48/99/00/1073489900.db2.gz DSMYDKKEZZYOIX-OALUTQOASA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000735588874 1073489898 /nfs/dbraw/zinc/48/98/98/1073489898.db2.gz DSMYDKKEZZYOIX-OALUTQOASA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000735588875 1073489966 /nfs/dbraw/zinc/48/99/66/1073489966.db2.gz DSMYDKKEZZYOIX-RBUKOAKNSA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)CC1 ZINC000735588875 1073489963 /nfs/dbraw/zinc/48/99/63/1073489963.db2.gz DSMYDKKEZZYOIX-RBUKOAKNSA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000735588876 1073489934 /nfs/dbraw/zinc/48/99/34/1073489934.db2.gz DSMYDKKEZZYOIX-RTBURBONSA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)CC1 ZINC000735588876 1073489932 /nfs/dbraw/zinc/48/99/32/1073489932.db2.gz DSMYDKKEZZYOIX-RTBURBONSA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000735590972 1073491399 /nfs/dbraw/zinc/49/13/99/1073491399.db2.gz VLMGULQFOJWZNG-DLBZAZTESA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000735590972 1073491397 /nfs/dbraw/zinc/49/13/97/1073491397.db2.gz VLMGULQFOJWZNG-DLBZAZTESA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000735590973 1073491361 /nfs/dbraw/zinc/49/13/61/1073491361.db2.gz VLMGULQFOJWZNG-IAGOWNOFSA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000735590973 1073491357 /nfs/dbraw/zinc/49/13/57/1073491357.db2.gz VLMGULQFOJWZNG-IAGOWNOFSA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000735590974 1073491424 /nfs/dbraw/zinc/49/14/24/1073491424.db2.gz VLMGULQFOJWZNG-IRXDYDNUSA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000735590974 1073491420 /nfs/dbraw/zinc/49/14/20/1073491420.db2.gz VLMGULQFOJWZNG-IRXDYDNUSA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000735590975 1073491225 /nfs/dbraw/zinc/49/12/25/1073491225.db2.gz VLMGULQFOJWZNG-SJORKVTESA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000735590975 1073491218 /nfs/dbraw/zinc/49/12/18/1073491218.db2.gz VLMGULQFOJWZNG-SJORKVTESA-N 2 2 429.521 -0.008 20 0 IBADLP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(c3cc(N4CCOCC4)[nH+]cn3)CC1)C2=O ZINC000738290372 1073513192 /nfs/dbraw/zinc/51/31/92/1073513192.db2.gz ZNHJEBDRNNRWRA-UHFFFAOYSA-N 2 2 444.540 -0.591 20 0 IBADLP C[NH+]1CCC(CNC(=O)NCCS(=O)(=O)N2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000745789601 1073580745 /nfs/dbraw/zinc/58/07/45/1073580745.db2.gz OBHGLVUGSHXVEX-UHFFFAOYSA-N 2 2 431.603 -0.102 20 0 IBADLP Cn1cc([C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CCN2C(=O)CC[NH+]2CCOCC2)cn1 ZINC000753193302 1072890003 /nfs/dbraw/zinc/89/00/03/1072890003.db2.gz ARNQMYYCIHIIAY-FQEVSTJZSA-N 2 2 448.568 -0.423 20 0 IBADLP Cn1cc([C@H]2CN(C(=O)CC[NH+]3CCOCC3)CCN2C(=O)CC[NH+]2CCOCC2)cn1 ZINC000753193306 1072889906 /nfs/dbraw/zinc/88/99/06/1072889906.db2.gz ARNQMYYCIHIIAY-HXUWFJFHSA-N 2 2 448.568 -0.423 20 0 IBADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000761964241 1072670120 /nfs/dbraw/zinc/67/01/20/1072670120.db2.gz FAZFWSSVDUIXIB-UHFFFAOYSA-N 2 2 433.538 -0.135 20 0 IBADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765415866 1073077988 /nfs/dbraw/zinc/07/79/88/1073077988.db2.gz DLBODJXPIFFCFJ-AWEZNQCLSA-N 2 2 432.568 -0.163 20 0 IBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765415867 1073077766 /nfs/dbraw/zinc/07/77/66/1073077766.db2.gz DLBODJXPIFFCFJ-CQSZACIVSA-N 2 2 432.568 -0.163 20 0 IBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000766984297 1073611602 /nfs/dbraw/zinc/61/16/02/1073611602.db2.gz KDRWVOLNSMAKAK-KRWDZBQOSA-N 2 2 429.587 -0.557 20 0 IBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000766984297 1073611599 /nfs/dbraw/zinc/61/15/99/1073611599.db2.gz KDRWVOLNSMAKAK-KRWDZBQOSA-N 2 2 429.587 -0.557 20 0 IBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000766984299 1073611698 /nfs/dbraw/zinc/61/16/98/1073611698.db2.gz KDRWVOLNSMAKAK-QGZVFWFLSA-N 2 2 429.587 -0.557 20 0 IBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000766984299 1073611695 /nfs/dbraw/zinc/61/16/95/1073611695.db2.gz KDRWVOLNSMAKAK-QGZVFWFLSA-N 2 2 429.587 -0.557 20 0 IBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000767024499 1073612431 /nfs/dbraw/zinc/61/24/31/1073612431.db2.gz GZYZSMJQPZYYHW-INIZCTEOSA-N 2 2 434.541 -0.099 20 0 IBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000767024500 1073612298 /nfs/dbraw/zinc/61/22/98/1073612298.db2.gz GZYZSMJQPZYYHW-MRXNPFEDSA-N 2 2 434.541 -0.099 20 0 IBADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1C ZINC000768719183 1073641594 /nfs/dbraw/zinc/64/15/94/1073641594.db2.gz BMPMDJJJZOQADF-UHFFFAOYSA-N 2 2 431.497 -0.164 20 0 IBADLP COC(=O)C[C@@]1([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCOC1 ZINC000770702508 1073667460 /nfs/dbraw/zinc/66/74/60/1073667460.db2.gz WBJVBXXHXAUQSY-FQEVSTJZSA-N 2 2 431.497 -0.286 20 0 IBADLP COC(=O)C[C@]1([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCOC1 ZINC000770702510 1073667374 /nfs/dbraw/zinc/66/73/74/1073667374.db2.gz WBJVBXXHXAUQSY-HXUWFJFHSA-N 2 2 431.497 -0.286 20 0 IBADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000774924921 1074276959 /nfs/dbraw/zinc/27/69/59/1074276959.db2.gz RXKCVZXGAXZQRM-IBGZPJMESA-N 2 2 438.594 -0.099 20 0 IBADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000774924923 1074276939 /nfs/dbraw/zinc/27/69/39/1074276939.db2.gz RXKCVZXGAXZQRM-LJQANCHMSA-N 2 2 438.594 -0.099 20 0 IBADLP CN(CCCNC(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000779649976 1072594846 /nfs/dbraw/zinc/59/48/46/1072594846.db2.gz UWADUZOLYGPCCH-KRWDZBQOSA-N 2 2 441.554 -0.216 20 0 IBADLP CN(CCCNC(=O)CONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000779649976 1072594837 /nfs/dbraw/zinc/59/48/37/1072594837.db2.gz UWADUZOLYGPCCH-KRWDZBQOSA-N 2 2 441.554 -0.216 20 0 IBADLP CN(CCCNC(=O)CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000779649977 1072594774 /nfs/dbraw/zinc/59/47/74/1072594774.db2.gz UWADUZOLYGPCCH-QGZVFWFLSA-N 2 2 441.554 -0.216 20 0 IBADLP CN(CCCNC(=O)CONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000779649977 1072594767 /nfs/dbraw/zinc/59/47/67/1072594767.db2.gz UWADUZOLYGPCCH-QGZVFWFLSA-N 2 2 441.554 -0.216 20 0 IBADLP CN(C(=O)C(=O)Nc1cnn(C)c1C1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000784424230 1072626322 /nfs/dbraw/zinc/62/63/22/1072626322.db2.gz FNSWTQILVOFDEW-UHFFFAOYSA-N 2 2 445.568 -0.067 20 0 IBADLP CCCn1cc(NC(=O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000784424255 1072995635 /nfs/dbraw/zinc/99/56/35/1072995635.db2.gz GYXSMFFEILKCBM-UHFFFAOYSA-N 2 2 433.557 -0.072 20 0 IBADLP CN(C(=O)C(=O)Nc1ccnn1CC1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000784424328 1072995674 /nfs/dbraw/zinc/99/56/74/1072995674.db2.gz LCOQLFHEEQAZFB-UHFFFAOYSA-N 2 2 445.568 -0.072 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)C2)CC1 ZINC000784804912 1072999491 /nfs/dbraw/zinc/99/94/91/1072999491.db2.gz WLAOQMVVIRRDQU-KRWDZBQOSA-N 2 2 428.537 -0.154 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)C2)CC1 ZINC000784804912 1072999487 /nfs/dbraw/zinc/99/94/87/1072999487.db2.gz WLAOQMVVIRRDQU-KRWDZBQOSA-N 2 2 428.537 -0.154 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)C2)CC1 ZINC000784804914 1072999307 /nfs/dbraw/zinc/99/93/07/1072999307.db2.gz WLAOQMVVIRRDQU-QGZVFWFLSA-N 2 2 428.537 -0.154 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)C2)CC1 ZINC000784804914 1072999300 /nfs/dbraw/zinc/99/93/00/1072999300.db2.gz WLAOQMVVIRRDQU-QGZVFWFLSA-N 2 2 428.537 -0.154 20 0 IBADLP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000784822029 1072999778 /nfs/dbraw/zinc/99/97/78/1072999778.db2.gz HZXZCTHKAMKGLF-IBGZPJMESA-N 2 2 444.580 -0.100 20 0 IBADLP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000784822029 1072999769 /nfs/dbraw/zinc/99/97/69/1072999769.db2.gz HZXZCTHKAMKGLF-IBGZPJMESA-N 2 2 444.580 -0.100 20 0 IBADLP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000784822030 1072999968 /nfs/dbraw/zinc/99/99/68/1072999968.db2.gz HZXZCTHKAMKGLF-LJQANCHMSA-N 2 2 444.580 -0.100 20 0 IBADLP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000784822030 1072999965 /nfs/dbraw/zinc/99/99/65/1072999965.db2.gz HZXZCTHKAMKGLF-LJQANCHMSA-N 2 2 444.580 -0.100 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000784968152 1070883124 /nfs/dbraw/zinc/88/31/24/1070883124.db2.gz BBDBATPNAKWXRU-FQEVSTJZSA-N 2 2 433.553 -0.082 20 0 IBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000784968152 1070883100 /nfs/dbraw/zinc/88/31/00/1070883100.db2.gz BBDBATPNAKWXRU-FQEVSTJZSA-N 2 2 433.553 -0.082 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000784968174 1070883624 /nfs/dbraw/zinc/88/36/24/1070883624.db2.gz BBDBATPNAKWXRU-HXUWFJFHSA-N 2 2 433.553 -0.082 20 0 IBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000784968174 1070883608 /nfs/dbraw/zinc/88/36/08/1070883608.db2.gz BBDBATPNAKWXRU-HXUWFJFHSA-N 2 2 433.553 -0.082 20 0 IBADLP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2)CC1 ZINC000784968204 1070883403 /nfs/dbraw/zinc/88/34/03/1070883403.db2.gz BZHPLGTXXZUSMH-FQEVSTJZSA-N 2 2 433.553 -0.082 20 0 IBADLP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2)CC1 ZINC000784968205 1070883234 /nfs/dbraw/zinc/88/32/34/1070883234.db2.gz BZHPLGTXXZUSMH-HXUWFJFHSA-N 2 2 433.553 -0.082 20 0 IBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000785394859 1071715689 /nfs/dbraw/zinc/71/56/89/1071715689.db2.gz DWFRDJCLMNJKMP-KRWDZBQOSA-N 2 2 432.587 -0.915 20 0 IBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000785394859 1071715684 /nfs/dbraw/zinc/71/56/84/1071715684.db2.gz DWFRDJCLMNJKMP-KRWDZBQOSA-N 2 2 432.587 -0.915 20 0 IBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000785394869 1071715636 /nfs/dbraw/zinc/71/56/36/1071715636.db2.gz DWFRDJCLMNJKMP-QGZVFWFLSA-N 2 2 432.587 -0.915 20 0 IBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000785394869 1071715634 /nfs/dbraw/zinc/71/56/34/1071715634.db2.gz DWFRDJCLMNJKMP-QGZVFWFLSA-N 2 2 432.587 -0.915 20 0 IBADLP O=C(COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000787002798 1073733150 /nfs/dbraw/zinc/73/31/50/1073733150.db2.gz WZSBHSZMUUHVOH-IBGZPJMESA-N 2 2 436.553 -0.014 20 0 IBADLP O=C(COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000787002800 1073733655 /nfs/dbraw/zinc/73/36/55/1073733655.db2.gz WZSBHSZMUUHVOH-LJQANCHMSA-N 2 2 436.553 -0.014 20 0 IBADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000787482899 1073746985 /nfs/dbraw/zinc/74/69/85/1073746985.db2.gz AITMLPQSZHJBGH-UHFFFAOYSA-N 2 2 439.520 -0.041 20 0 IBADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000787488337 1073745759 /nfs/dbraw/zinc/74/57/59/1073745759.db2.gz HGGOZEHVUZGCIS-GOSISDBHSA-N 2 2 439.520 -0.043 20 0 IBADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000787488337 1073745752 /nfs/dbraw/zinc/74/57/52/1073745752.db2.gz HGGOZEHVUZGCIS-GOSISDBHSA-N 2 2 439.520 -0.043 20 0 IBADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000787488341 1073745710 /nfs/dbraw/zinc/74/57/10/1073745710.db2.gz HGGOZEHVUZGCIS-SFHVURJKSA-N 2 2 439.520 -0.043 20 0 IBADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000787488341 1073745707 /nfs/dbraw/zinc/74/57/07/1073745707.db2.gz HGGOZEHVUZGCIS-SFHVURJKSA-N 2 2 439.520 -0.043 20 0 IBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790303625 1073796559 /nfs/dbraw/zinc/79/65/59/1073796559.db2.gz CWJKVESPEIPQRI-KRWDZBQOSA-N 2 2 440.589 -0.593 20 0 IBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790303625 1073796545 /nfs/dbraw/zinc/79/65/45/1073796545.db2.gz CWJKVESPEIPQRI-KRWDZBQOSA-N 2 2 440.589 -0.593 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790303628 1073796419 /nfs/dbraw/zinc/79/64/19/1073796419.db2.gz CWJKVESPEIPQRI-QGZVFWFLSA-N 2 2 440.589 -0.593 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790303628 1073796409 /nfs/dbraw/zinc/79/64/09/1073796409.db2.gz CWJKVESPEIPQRI-QGZVFWFLSA-N 2 2 440.589 -0.593 20 0 IBADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000793729258 1073829715 /nfs/dbraw/zinc/82/97/15/1073829715.db2.gz ZIGSLDSXOVBOCI-IBGZPJMESA-N 2 2 438.594 -0.099 20 0 IBADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000793729261 1073829838 /nfs/dbraw/zinc/82/98/38/1073829838.db2.gz ZIGSLDSXOVBOCI-LJQANCHMSA-N 2 2 438.594 -0.099 20 0 IBADLP C[C@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[NH+]1CCCCC1 ZINC000793730692 1073831127 /nfs/dbraw/zinc/83/11/27/1073831127.db2.gz ZQKOLCDTYURRJT-GOSISDBHSA-N 2 2 445.568 -0.048 20 0 IBADLP C[C@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000793730692 1073831117 /nfs/dbraw/zinc/83/11/17/1073831117.db2.gz ZQKOLCDTYURRJT-GOSISDBHSA-N 2 2 445.568 -0.048 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[NH+]1CCCCC1 ZINC000793730697 1073831182 /nfs/dbraw/zinc/83/11/82/1073831182.db2.gz ZQKOLCDTYURRJT-SFHVURJKSA-N 2 2 445.568 -0.048 20 0 IBADLP C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000793730697 1073831170 /nfs/dbraw/zinc/83/11/70/1073831170.db2.gz ZQKOLCDTYURRJT-SFHVURJKSA-N 2 2 445.568 -0.048 20 0 IBADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000793806255 1073834328 /nfs/dbraw/zinc/83/43/28/1073834328.db2.gz LDYCLMVCOLWKMG-UHFFFAOYSA-N 2 2 439.520 -0.041 20 0 IBADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000793807973 1073834475 /nfs/dbraw/zinc/83/44/75/1073834475.db2.gz AAZZUOKHHXGYKJ-GOSISDBHSA-N 2 2 439.520 -0.043 20 0 IBADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000793807973 1073834456 /nfs/dbraw/zinc/83/44/56/1073834456.db2.gz AAZZUOKHHXGYKJ-GOSISDBHSA-N 2 2 439.520 -0.043 20 0 IBADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000793807974 1073834230 /nfs/dbraw/zinc/83/42/30/1073834230.db2.gz AAZZUOKHHXGYKJ-SFHVURJKSA-N 2 2 439.520 -0.043 20 0 IBADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000793807974 1073834224 /nfs/dbraw/zinc/83/42/24/1073834224.db2.gz AAZZUOKHHXGYKJ-SFHVURJKSA-N 2 2 439.520 -0.043 20 0 IBADLP O=C(CCc1cccc(CCC(=O)N2CC[NH+](CCO)CC2)c1)N1CC[NH+](CCO)CC1 ZINC000795116145 1074461991 /nfs/dbraw/zinc/46/19/91/1074461991.db2.gz OAEBMXBBRAQTJT-UHFFFAOYSA-N 2 2 446.592 -0.175 20 0 IBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000803217016 1072698186 /nfs/dbraw/zinc/69/81/86/1072698186.db2.gz RWNYBJVTNIJDLF-PMACEKPBSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000803217016 1072698183 /nfs/dbraw/zinc/69/81/83/1072698183.db2.gz RWNYBJVTNIJDLF-PMACEKPBSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000803217022 1072698386 /nfs/dbraw/zinc/69/83/86/1072698386.db2.gz RWNYBJVTNIJDLF-UXHICEINSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000803217022 1072698384 /nfs/dbraw/zinc/69/83/84/1072698384.db2.gz RWNYBJVTNIJDLF-UXHICEINSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000803217023 1072698286 /nfs/dbraw/zinc/69/82/86/1072698286.db2.gz RWNYBJVTNIJDLF-VQTJNVASSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000803217023 1072698283 /nfs/dbraw/zinc/69/82/83/1072698283.db2.gz RWNYBJVTNIJDLF-VQTJNVASSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000803217024 1072698338 /nfs/dbraw/zinc/69/83/38/1072698338.db2.gz RWNYBJVTNIJDLF-WOJBJXKFSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000803217024 1072698334 /nfs/dbraw/zinc/69/83/34/1072698334.db2.gz RWNYBJVTNIJDLF-WOJBJXKFSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000803217462 1072698310 /nfs/dbraw/zinc/69/83/10/1072698310.db2.gz CQTRJMLFFHLWFB-CTNGQTDRSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000803217462 1072698304 /nfs/dbraw/zinc/69/83/04/1072698304.db2.gz CQTRJMLFFHLWFB-CTNGQTDRSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000803217463 1072698358 /nfs/dbraw/zinc/69/83/58/1072698358.db2.gz CQTRJMLFFHLWFB-FPOVZHCZSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000803217463 1072698355 /nfs/dbraw/zinc/69/83/55/1072698355.db2.gz CQTRJMLFFHLWFB-FPOVZHCZSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000803217464 1072698230 /nfs/dbraw/zinc/69/82/30/1072698230.db2.gz CQTRJMLFFHLWFB-PZJWPPBQSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000803217464 1072698223 /nfs/dbraw/zinc/69/82/23/1072698223.db2.gz CQTRJMLFFHLWFB-PZJWPPBQSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000803217465 1072698060 /nfs/dbraw/zinc/69/80/60/1072698060.db2.gz CQTRJMLFFHLWFB-TZIWHRDSSA-N 2 2 446.548 -0.007 20 0 IBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000803217465 1072698051 /nfs/dbraw/zinc/69/80/51/1072698051.db2.gz CQTRJMLFFHLWFB-TZIWHRDSSA-N 2 2 446.548 -0.007 20 0 IBADLP COC(=O)[C@]12CN(C(=O)C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C[C@H]1COCC2 ZINC000804009599 1072711785 /nfs/dbraw/zinc/71/17/85/1072711785.db2.gz WKLOTZQVVNXILU-KSFYIVLOSA-N 2 2 436.553 -0.301 20 0 IBADLP O=C(CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804049624 1072813874 /nfs/dbraw/zinc/81/38/74/1072813874.db2.gz FBCRDDKWULXCPR-MSOLQXFVSA-N 2 2 444.536 -0.784 20 0 IBADLP O=C(CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804049624 1072813867 /nfs/dbraw/zinc/81/38/67/1072813867.db2.gz FBCRDDKWULXCPR-MSOLQXFVSA-N 2 2 444.536 -0.784 20 0 IBADLP O=C(CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804049625 1072813773 /nfs/dbraw/zinc/81/37/73/1072813773.db2.gz FBCRDDKWULXCPR-QZTJIDSGSA-N 2 2 444.536 -0.784 20 0 IBADLP O=C(CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804049625 1072813766 /nfs/dbraw/zinc/81/37/66/1072813766.db2.gz FBCRDDKWULXCPR-QZTJIDSGSA-N 2 2 444.536 -0.784 20 0 IBADLP O=C(CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804049626 1072813984 /nfs/dbraw/zinc/81/39/84/1072813984.db2.gz FBCRDDKWULXCPR-ROUUACIJSA-N 2 2 444.536 -0.784 20 0 IBADLP O=C(CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804049626 1072813978 /nfs/dbraw/zinc/81/39/78/1072813978.db2.gz FBCRDDKWULXCPR-ROUUACIJSA-N 2 2 444.536 -0.784 20 0 IBADLP O=C(CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804049627 1072814041 /nfs/dbraw/zinc/81/40/41/1072814041.db2.gz FBCRDDKWULXCPR-ZWKOTPCHSA-N 2 2 444.536 -0.784 20 0 IBADLP O=C(CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804049627 1072814037 /nfs/dbraw/zinc/81/40/37/1072814037.db2.gz FBCRDDKWULXCPR-ZWKOTPCHSA-N 2 2 444.536 -0.784 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804050606 1072813690 /nfs/dbraw/zinc/81/36/90/1072813690.db2.gz JYNLJRUYJSKDIB-CEXWTWQISA-N 2 2 430.553 -0.312 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804050606 1072813685 /nfs/dbraw/zinc/81/36/85/1072813685.db2.gz JYNLJRUYJSKDIB-CEXWTWQISA-N 2 2 430.553 -0.312 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804050607 1072813910 /nfs/dbraw/zinc/81/39/10/1072813910.db2.gz JYNLJRUYJSKDIB-GUDVDZBRSA-N 2 2 430.553 -0.312 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804050607 1072813902 /nfs/dbraw/zinc/81/39/02/1072813902.db2.gz JYNLJRUYJSKDIB-GUDVDZBRSA-N 2 2 430.553 -0.312 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804050608 1072814069 /nfs/dbraw/zinc/81/40/69/1072814069.db2.gz JYNLJRUYJSKDIB-QRVBRYPASA-N 2 2 430.553 -0.312 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804050608 1072814064 /nfs/dbraw/zinc/81/40/64/1072814064.db2.gz JYNLJRUYJSKDIB-QRVBRYPASA-N 2 2 430.553 -0.312 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804050609 1072813841 /nfs/dbraw/zinc/81/38/41/1072813841.db2.gz JYNLJRUYJSKDIB-QYZOEREBSA-N 2 2 430.553 -0.312 20 0 IBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804050609 1072813837 /nfs/dbraw/zinc/81/38/37/1072813837.db2.gz JYNLJRUYJSKDIB-QYZOEREBSA-N 2 2 430.553 -0.312 20 0 IBADLP NC(=O)C[NH+]1CCCN(c2cc(N3CCC[N@@H+](CC(N)=O)CC3)c3ccncc3n2)CC1 ZINC000804364041 1073632938 /nfs/dbraw/zinc/63/29/38/1073632938.db2.gz LEDZCDMTWAGWME-UHFFFAOYSA-N 2 2 440.552 -0.375 20 0 IBADLP NC(=O)C[NH+]1CCCN(c2cc(N3CCC[N@H+](CC(N)=O)CC3)c3ccncc3n2)CC1 ZINC000804364041 1073632934 /nfs/dbraw/zinc/63/29/34/1073632934.db2.gz LEDZCDMTWAGWME-UHFFFAOYSA-N 2 2 440.552 -0.375 20 0 IBADLP NC(=O)C[NH+]1CCCN(c2cc(N3CCC[N@H+](CC(N)=O)CC3)nc3cnccc32)CC1 ZINC000804364041 1073632930 /nfs/dbraw/zinc/63/29/30/1073632930.db2.gz LEDZCDMTWAGWME-UHFFFAOYSA-N 2 2 440.552 -0.375 20 0 IBADLP NC(=O)C[NH+]1CCCN(c2cc(N3CCC[N@@H+](CC(N)=O)CC3)nc3cnccc32)CC1 ZINC000804364041 1073632925 /nfs/dbraw/zinc/63/29/25/1073632925.db2.gz LEDZCDMTWAGWME-UHFFFAOYSA-N 2 2 440.552 -0.375 20 0 IBADLP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Cc1ccc(F)cc1 ZINC000805376035 1073874251 /nfs/dbraw/zinc/87/42/51/1073874251.db2.gz IECGNHBQFBVWAW-UHFFFAOYSA-N 2 2 442.557 -0.001 20 0 IBADLP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Cc1ccc(F)cc1 ZINC000805376035 1073874240 /nfs/dbraw/zinc/87/42/40/1073874240.db2.gz IECGNHBQFBVWAW-UHFFFAOYSA-N 2 2 442.557 -0.001 20 0 IBADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805380435 1073874744 /nfs/dbraw/zinc/87/47/44/1073874744.db2.gz PVEOEFRDVKCHET-KRWDZBQOSA-N 2 2 432.587 -0.819 20 0 IBADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805380436 1073874565 /nfs/dbraw/zinc/87/45/65/1073874565.db2.gz PVEOEFRDVKCHET-QGZVFWFLSA-N 2 2 432.587 -0.819 20 0 IBADLP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805380859 1073874644 /nfs/dbraw/zinc/87/46/44/1073874644.db2.gz AMZVURBHALJRHQ-UHFFFAOYSA-N 2 2 428.555 -0.205 20 0 IBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000805382422 1073977644 /nfs/dbraw/zinc/97/76/44/1073977644.db2.gz QZFWHSUORMNWQF-UHFFFAOYSA-N 2 2 428.599 -0.054 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000806209431 1073889576 /nfs/dbraw/zinc/88/95/76/1073889576.db2.gz ASSYGHYRKBRAAU-DZGCQCFKSA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000806209431 1073889568 /nfs/dbraw/zinc/88/95/68/1073889568.db2.gz ASSYGHYRKBRAAU-DZGCQCFKSA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000806209432 1073889610 /nfs/dbraw/zinc/88/96/10/1073889610.db2.gz ASSYGHYRKBRAAU-HIFRSBDPSA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000806209432 1073889607 /nfs/dbraw/zinc/88/96/07/1073889607.db2.gz ASSYGHYRKBRAAU-HIFRSBDPSA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000806209433 1073889735 /nfs/dbraw/zinc/88/97/35/1073889735.db2.gz ASSYGHYRKBRAAU-UKRRQHHQSA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000806209433 1073889728 /nfs/dbraw/zinc/88/97/28/1073889728.db2.gz ASSYGHYRKBRAAU-UKRRQHHQSA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000806209434 1073889375 /nfs/dbraw/zinc/88/93/75/1073889375.db2.gz ASSYGHYRKBRAAU-ZFWWWQNUSA-N 2 2 433.475 -0.107 20 0 IBADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000806209434 1073889356 /nfs/dbraw/zinc/88/93/56/1073889356.db2.gz ASSYGHYRKBRAAU-ZFWWWQNUSA-N 2 2 433.475 -0.107 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000806209592 1073889706 /nfs/dbraw/zinc/88/97/06/1073889706.db2.gz FDMXQYDTZJFGHO-INIZCTEOSA-N 2 2 441.573 -0.383 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000806209592 1073889701 /nfs/dbraw/zinc/88/97/01/1073889701.db2.gz FDMXQYDTZJFGHO-INIZCTEOSA-N 2 2 441.573 -0.383 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000806209595 1073889524 /nfs/dbraw/zinc/88/95/24/1073889524.db2.gz FDMXQYDTZJFGHO-MRXNPFEDSA-N 2 2 441.573 -0.383 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000806209595 1073889513 /nfs/dbraw/zinc/88/95/13/1073889513.db2.gz FDMXQYDTZJFGHO-MRXNPFEDSA-N 2 2 441.573 -0.383 20 0 IBADLP Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209655 1073888895 /nfs/dbraw/zinc/88/88/95/1073888895.db2.gz GBPCWFSLFCZBOF-AOIWGVFYSA-N 2 2 432.569 -0.023 20 0 IBADLP Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209655 1073888886 /nfs/dbraw/zinc/88/88/86/1073888886.db2.gz GBPCWFSLFCZBOF-AOIWGVFYSA-N 2 2 432.569 -0.023 20 0 IBADLP Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209660 1073888746 /nfs/dbraw/zinc/88/87/46/1073888746.db2.gz GBPCWFSLFCZBOF-JENIJYKNSA-N 2 2 432.569 -0.023 20 0 IBADLP Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209660 1073888734 /nfs/dbraw/zinc/88/87/34/1073888734.db2.gz GBPCWFSLFCZBOF-JENIJYKNSA-N 2 2 432.569 -0.023 20 0 IBADLP Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209662 1073889302 /nfs/dbraw/zinc/88/93/02/1073889302.db2.gz GBPCWFSLFCZBOF-LNLFQRSKSA-N 2 2 432.569 -0.023 20 0 IBADLP Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209662 1073889286 /nfs/dbraw/zinc/88/92/86/1073889286.db2.gz GBPCWFSLFCZBOF-LNLFQRSKSA-N 2 2 432.569 -0.023 20 0 IBADLP Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209663 1073889241 /nfs/dbraw/zinc/88/92/41/1073889241.db2.gz GBPCWFSLFCZBOF-ZIFCJYIRSA-N 2 2 432.569 -0.023 20 0 IBADLP Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209663 1073889228 /nfs/dbraw/zinc/88/92/28/1073889228.db2.gz GBPCWFSLFCZBOF-ZIFCJYIRSA-N 2 2 432.569 -0.023 20 0 IBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000814299622 1074014008 /nfs/dbraw/zinc/01/40/08/1074014008.db2.gz AISZYPKYYCFWIL-UHFFFAOYSA-N 2 2 431.603 -0.213 20 0 IBADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1O ZINC000819837404 1074049046 /nfs/dbraw/zinc/04/90/46/1074049046.db2.gz LKBZNAZHQPDDQD-CALCHBBNSA-N 2 2 434.537 -0.235 20 0 IBADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1O ZINC000819837405 1074049085 /nfs/dbraw/zinc/04/90/85/1074049085.db2.gz LKBZNAZHQPDDQD-IAGOWNOFSA-N 2 2 434.537 -0.235 20 0 IBADLP O=C(N[C@H](CO)C[NH+]1CCCC1)c1cccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1O ZINC000819837406 1074049066 /nfs/dbraw/zinc/04/90/66/1074049066.db2.gz LKBZNAZHQPDDQD-IRXDYDNUSA-N 2 2 434.537 -0.235 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000918700906 1072834719 /nfs/dbraw/zinc/83/47/19/1072834719.db2.gz NCJNUGXRBCRHLC-INIZCTEOSA-N 2 2 427.571 -0.364 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000918700906 1072834705 /nfs/dbraw/zinc/83/47/05/1072834705.db2.gz NCJNUGXRBCRHLC-INIZCTEOSA-N 2 2 427.571 -0.364 20 0 IBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000918700921 1072834921 /nfs/dbraw/zinc/83/49/21/1072834921.db2.gz NCJNUGXRBCRHLC-MRXNPFEDSA-N 2 2 427.571 -0.364 20 0 IBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000918700921 1072834910 /nfs/dbraw/zinc/83/49/10/1072834910.db2.gz NCJNUGXRBCRHLC-MRXNPFEDSA-N 2 2 427.571 -0.364 20 0 IBADLP CC(C)(C)n1ncc2c1nc(N1CC[NH+](CCO)CC1)nc2N1CC[NH+](CCO)CC1 ZINC001115939514 1073026551 /nfs/dbraw/zinc/02/65/51/1073026551.db2.gz TXMGYWWZJHOTGK-UHFFFAOYSA-N 2 2 432.573 -0.190 20 0 IBADLP CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC1CC[NH+](C3CC[NH+](C)CC3)CC1)C2 ZINC001116737730 1073046617 /nfs/dbraw/zinc/04/66/17/1073046617.db2.gz DVZDSOYBWVPSCS-UHFFFAOYSA-N 2 2 448.572 -0.783 20 0 IBADLP CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001117696699 1073056589 /nfs/dbraw/zinc/05/65/89/1073056589.db2.gz OFKPRHWEEJAPRS-CVEARBPZSA-N 2 2 429.587 -0.510 20 0 IBADLP CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001117696699 1073056580 /nfs/dbraw/zinc/05/65/80/1073056580.db2.gz OFKPRHWEEJAPRS-CVEARBPZSA-N 2 2 429.587 -0.510 20 0 IBADLP CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001117696700 1073056470 /nfs/dbraw/zinc/05/64/70/1073056470.db2.gz OFKPRHWEEJAPRS-HOTGVXAUSA-N 2 2 429.587 -0.510 20 0 IBADLP CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001117696700 1073056458 /nfs/dbraw/zinc/05/64/58/1073056458.db2.gz OFKPRHWEEJAPRS-HOTGVXAUSA-N 2 2 429.587 -0.510 20 0 IBADLP CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001117696701 1073056528 /nfs/dbraw/zinc/05/65/28/1073056528.db2.gz OFKPRHWEEJAPRS-HZPDHXFCSA-N 2 2 429.587 -0.510 20 0 IBADLP CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001117696701 1073056520 /nfs/dbraw/zinc/05/65/20/1073056520.db2.gz OFKPRHWEEJAPRS-HZPDHXFCSA-N 2 2 429.587 -0.510 20 0 IBADLP CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001117696702 1073056393 /nfs/dbraw/zinc/05/63/93/1073056393.db2.gz OFKPRHWEEJAPRS-JKSUJKDBSA-N 2 2 429.587 -0.510 20 0 IBADLP CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001117696702 1073056380 /nfs/dbraw/zinc/05/63/80/1073056380.db2.gz OFKPRHWEEJAPRS-JKSUJKDBSA-N 2 2 429.587 -0.510 20 0 IBADLP C[NH+]1CCC(OCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001125027224 1073063468 /nfs/dbraw/zinc/06/34/68/1073063468.db2.gz UKBSIIDLRCHJKV-UHFFFAOYSA-N 2 2 425.555 -0.240 20 0 IBADLP CN(C(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638756 1074058805 /nfs/dbraw/zinc/05/88/05/1074058805.db2.gz LCKUSSGOESQSMX-CVEARBPZSA-N 2 2 447.502 -0.002 20 0 IBADLP CN(C(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638757 1074058920 /nfs/dbraw/zinc/05/89/20/1074058920.db2.gz LCKUSSGOESQSMX-HOTGVXAUSA-N 2 2 447.502 -0.002 20 0 IBADLP CN(C(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638758 1074058758 /nfs/dbraw/zinc/05/87/58/1074058758.db2.gz LCKUSSGOESQSMX-HZPDHXFCSA-N 2 2 447.502 -0.002 20 0 IBADLP CN(C(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638759 1074058882 /nfs/dbraw/zinc/05/88/82/1074058882.db2.gz LCKUSSGOESQSMX-JKSUJKDBSA-N 2 2 447.502 -0.002 20 0 IBADLP CN(C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638958 1074058967 /nfs/dbraw/zinc/05/89/67/1074058967.db2.gz UKTKRIOHTJZVKV-IBGZPJMESA-N 2 2 431.541 -0.390 20 0 IBADLP CN(C(=O)[C@H]1CC(c2cnn(C)c2)=NO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638959 1074058838 /nfs/dbraw/zinc/05/88/38/1074058838.db2.gz UKTKRIOHTJZVKV-LJQANCHMSA-N 2 2 431.541 -0.390 20 0 IBADLP CN(C(=O)Cn1nc2n(c1=O)CCCC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144084663 1074071152 /nfs/dbraw/zinc/07/11/52/1074071152.db2.gz JDQUSVXDQAJDLA-UHFFFAOYSA-N 2 2 433.557 -0.922 20 0 IBADLP CN(C(=O)CCC[C@]1(C)NC(=O)NC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144084768 1074071123 /nfs/dbraw/zinc/07/11/23/1074071123.db2.gz LUEHXMNAIGBKJX-NRFANRHFSA-N 2 2 436.557 -0.548 20 0 IBADLP CN(C(=O)CCC[C@@]1(C)NC(=O)NC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144084770 1074071226 /nfs/dbraw/zinc/07/12/26/1074071226.db2.gz LUEHXMNAIGBKJX-OAQYLSRUSA-N 2 2 436.557 -0.548 20 0 IBADLP CC1=NS(=O)(=O)N(C)C=C1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144085517 1074071285 /nfs/dbraw/zinc/07/12/85/1074071285.db2.gz YIXSSOUMDYJUOK-UHFFFAOYSA-N 2 2 440.570 -0.782 20 0 IBADLP CSCC[C@H](NC(C)=O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001144858613 1074078144 /nfs/dbraw/zinc/07/81/44/1074078144.db2.gz MSVBLUKTASQFEY-KRWDZBQOSA-N 2 2 427.615 -0.059 20 0 IBADLP CSCC[C@H](NC(C)=O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001144858613 1074078137 /nfs/dbraw/zinc/07/81/37/1074078137.db2.gz MSVBLUKTASQFEY-KRWDZBQOSA-N 2 2 427.615 -0.059 20 0 IBADLP COC(=O)[C@H](CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)NC(C)=O ZINC001144957563 1074083335 /nfs/dbraw/zinc/08/33/35/1074083335.db2.gz SNUMIOGBHJHEMP-KRWDZBQOSA-N 2 2 439.557 -0.859 20 0 IBADLP COC(=O)[C@H](CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)NC(C)=O ZINC001144957563 1074083326 /nfs/dbraw/zinc/08/33/26/1074083326.db2.gz SNUMIOGBHJHEMP-KRWDZBQOSA-N 2 2 439.557 -0.859 20 0 IBADLP CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001145062483 1074085293 /nfs/dbraw/zinc/08/52/93/1074085293.db2.gz BZJSQHXPFMNJJF-KRWDZBQOSA-N 2 2 431.603 -0.553 20 0 IBADLP CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001145062483 1074085288 /nfs/dbraw/zinc/08/52/88/1074085288.db2.gz BZJSQHXPFMNJJF-KRWDZBQOSA-N 2 2 431.603 -0.553 20 0 IBADLP CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001145062487 1074085220 /nfs/dbraw/zinc/08/52/20/1074085220.db2.gz BZJSQHXPFMNJJF-QGZVFWFLSA-N 2 2 431.603 -0.553 20 0 IBADLP CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001145062487 1074085216 /nfs/dbraw/zinc/08/52/16/1074085216.db2.gz BZJSQHXPFMNJJF-QGZVFWFLSA-N 2 2 431.603 -0.553 20 0 IBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC001146890599 1074098928 /nfs/dbraw/zinc/09/89/28/1074098928.db2.gz KVWRRRIYGBLRBU-HNNXBMFYSA-N 2 2 425.555 -0.313 20 0 IBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC001146890599 1074098920 /nfs/dbraw/zinc/09/89/20/1074098920.db2.gz KVWRRRIYGBLRBU-HNNXBMFYSA-N 2 2 425.555 -0.313 20 0 IBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC001146890600 1074099070 /nfs/dbraw/zinc/09/90/70/1074099070.db2.gz KVWRRRIYGBLRBU-OAHLLOKOSA-N 2 2 425.555 -0.313 20 0 IBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC001146890600 1074099064 /nfs/dbraw/zinc/09/90/64/1074099064.db2.gz KVWRRRIYGBLRBU-OAHLLOKOSA-N 2 2 425.555 -0.313 20 0 IBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001146892120 1074098883 /nfs/dbraw/zinc/09/88/83/1074098883.db2.gz VXYJNPGFWNGLIB-UHFFFAOYSA-N 2 2 425.555 -0.580 20 0 IBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001146892120 1074098874 /nfs/dbraw/zinc/09/88/74/1074098874.db2.gz VXYJNPGFWNGLIB-UHFFFAOYSA-N 2 2 425.555 -0.580 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)C1=O ZINC001152495803 1073126507 /nfs/dbraw/zinc/12/65/07/1073126507.db2.gz JMQOLRLWKAWCHH-UHFFFAOYSA-N 2 2 434.566 -0.341 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)C1=O ZINC001152495803 1073126503 /nfs/dbraw/zinc/12/65/03/1073126503.db2.gz JMQOLRLWKAWCHH-UHFFFAOYSA-N 2 2 434.566 -0.341 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N(CC[NH3+])S(C)(=O)=O)C[NH2+]1 ZINC001154770435 1073145195 /nfs/dbraw/zinc/14/51/95/1073145195.db2.gz HZPHQHFTDBMBPC-DOMZBBRYSA-N 2 2 439.494 -0.355 20 0 IBADLP C(Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001155377668 1073148486 /nfs/dbraw/zinc/14/84/86/1073148486.db2.gz HLYWPCONPQZXID-KRWDZBQOSA-N 2 2 433.557 -0.073 20 0 IBADLP C(Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001155377668 1073148474 /nfs/dbraw/zinc/14/84/74/1073148474.db2.gz HLYWPCONPQZXID-KRWDZBQOSA-N 2 2 433.557 -0.073 20 0 IBADLP C(Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001155377669 1073148634 /nfs/dbraw/zinc/14/86/34/1073148634.db2.gz HLYWPCONPQZXID-QGZVFWFLSA-N 2 2 433.557 -0.073 20 0 IBADLP C(Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001155377669 1073148630 /nfs/dbraw/zinc/14/86/30/1073148630.db2.gz HLYWPCONPQZXID-QGZVFWFLSA-N 2 2 433.557 -0.073 20 0 IBADLP c1cc2n(c1)C[C@@H](CCNc1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)C[NH2+]C2 ZINC001155453109 1073149208 /nfs/dbraw/zinc/14/92/08/1073149208.db2.gz DNBZUHMXEYEUAX-KRWDZBQOSA-N 2 2 428.541 -0.010 20 0 IBADLP c1cc2n(c1)C[C@@H](CCNc1nc(N3CCOCC3)nc(N3CCOCC3)[nH+]1)C[NH2+]C2 ZINC001155453109 1073149202 /nfs/dbraw/zinc/14/92/02/1073149202.db2.gz DNBZUHMXEYEUAX-KRWDZBQOSA-N 2 2 428.541 -0.010 20 0 IBADLP c1cc2n(c1)C[C@H](CCNc1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)C[NH2+]C2 ZINC001155453186 1073149080 /nfs/dbraw/zinc/14/90/80/1073149080.db2.gz DNBZUHMXEYEUAX-QGZVFWFLSA-N 2 2 428.541 -0.010 20 0 IBADLP c1cc2n(c1)C[C@H](CCNc1nc(N3CCOCC3)nc(N3CCOCC3)[nH+]1)C[NH2+]C2 ZINC001155453186 1073149074 /nfs/dbraw/zinc/14/90/74/1073149074.db2.gz DNBZUHMXEYEUAX-QGZVFWFLSA-N 2 2 428.541 -0.010 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)C[NH2+]1 ZINC001155571534 1073149622 /nfs/dbraw/zinc/14/96/22/1073149622.db2.gz SRRXVDZIMORCAH-DDESSGNOSA-N 2 2 442.476 -0.089 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N[C@]23CC[NH2+][C@H]2CC(=O)N3)C[NH2+]1 ZINC001155571538 1073149589 /nfs/dbraw/zinc/14/95/89/1073149589.db2.gz SRRXVDZIMORCAH-JNTBSDPJSA-N 2 2 442.476 -0.089 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N[C@]23CC[NH2+][C@@H]2CC(=O)N3)C[NH2+]1 ZINC001155571540 1073149579 /nfs/dbraw/zinc/14/95/79/1073149579.db2.gz SRRXVDZIMORCAH-KCCDOTDQSA-N 2 2 442.476 -0.089 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N[C@@]23CC[NH2+][C@H]2CC(=O)N3)C[NH2+]1 ZINC001155571545 1073149512 /nfs/dbraw/zinc/14/95/12/1073149512.db2.gz SRRXVDZIMORCAH-SGYVTOJHSA-N 2 2 442.476 -0.089 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc4c(n3)NC(=O)CO4)CC2)C1=O ZINC001155729877 1073151362 /nfs/dbraw/zinc/15/13/62/1073151362.db2.gz PTRCAZJRJYNISD-UHFFFAOYSA-N 2 2 430.509 -0.277 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc4c(n3)NC(=O)CO4)CC2)C1=O ZINC001155729877 1073151355 /nfs/dbraw/zinc/15/13/55/1073151355.db2.gz PTRCAZJRJYNISD-UHFFFAOYSA-N 2 2 430.509 -0.277 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N(C)S(=O)(=O)CC[NH3+])C[NH2+]1 ZINC001156236597 1073153675 /nfs/dbraw/zinc/15/36/75/1073153675.db2.gz NIULOWWFBLUAAW-DOMZBBRYSA-N 2 2 439.494 -0.355 20 0 IBADLP CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C(N)=O ZINC001157308923 1073160205 /nfs/dbraw/zinc/16/02/05/1073160205.db2.gz AQBYEKOBVZTAML-KSZLIROESA-N 2 2 430.509 -0.651 20 0 IBADLP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)ccc12 ZINC001157364830 1073162227 /nfs/dbraw/zinc/16/22/27/1073162227.db2.gz KPABTRPBZYOIRF-INIZCTEOSA-N 2 2 440.460 -0.424 20 0 IBADLP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)C[NH2+]C3CC[NH2+]CC3)ccc12 ZINC001157364933 1073162129 /nfs/dbraw/zinc/16/21/29/1073162129.db2.gz NXWYSQXWDXCQBD-UHFFFAOYSA-N 2 2 429.477 -0.386 20 0 IBADLP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)ccc12 ZINC001157365273 1073162528 /nfs/dbraw/zinc/16/25/28/1073162528.db2.gz WZARLSQILFTVTF-PZPWOCDFSA-N 2 2 427.461 -0.506 20 0 IBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1[nH+]ccn1C ZINC001157422735 1073163811 /nfs/dbraw/zinc/16/38/11/1073163811.db2.gz MGLGZMJMEYWFJS-PXNSSMCTSA-N 2 2 428.537 -0.094 20 0 IBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 ZINC001158000759 1073169422 /nfs/dbraw/zinc/16/94/22/1073169422.db2.gz ZMUGVPKGWKNOQC-MSOLQXFVSA-N 2 2 449.533 -0.338 20 0 IBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 ZINC001158000760 1073169346 /nfs/dbraw/zinc/16/93/46/1073169346.db2.gz ZMUGVPKGWKNOQC-QZTJIDSGSA-N 2 2 449.533 -0.338 20 0 IBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001158008127 1073169858 /nfs/dbraw/zinc/16/98/58/1073169858.db2.gz ZHNQAUFIUDXLLN-LUKYLMHMSA-N 2 2 439.557 -0.781 20 0 IBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001158008128 1073169813 /nfs/dbraw/zinc/16/98/13/1073169813.db2.gz ZHNQAUFIUDXLLN-QAETUUGQSA-N 2 2 439.557 -0.781 20 0 IBADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001158292879 1073173810 /nfs/dbraw/zinc/17/38/10/1073173810.db2.gz RCJHIAPHLZDJFI-GMXVVIOVSA-N 2 2 440.298 -0.179 20 0 IBADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001158292880 1073173783 /nfs/dbraw/zinc/17/37/83/1073173783.db2.gz RCJHIAPHLZDJFI-GVXVVHGQSA-N 2 2 440.298 -0.179 20 0 IBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)C1 ZINC001158352300 1073174848 /nfs/dbraw/zinc/17/48/48/1073174848.db2.gz OFTKNKISPQEANO-ORGXJRBJSA-N 2 2 443.552 -0.930 20 0 IBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)C1 ZINC001158352301 1073174944 /nfs/dbraw/zinc/17/49/44/1073174944.db2.gz OFTKNKISPQEANO-SUWCGCSTSA-N 2 2 443.552 -0.930 20 0 IBADLP COCC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC001158604571 1073178418 /nfs/dbraw/zinc/17/84/18/1073178418.db2.gz PXKHMYXADJPGPY-FPOVZHCZSA-N 2 2 447.580 -0.396 20 0 IBADLP COCC[NH+]1CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])CC1 ZINC001158605505 1073178811 /nfs/dbraw/zinc/17/88/11/1073178811.db2.gz YJJMBTRKWFLAOR-BZSNNMDCSA-N 2 2 425.574 -0.354 20 0 IBADLP CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]2c2ccccc2)C1=O ZINC001158626005 1073178991 /nfs/dbraw/zinc/17/89/91/1073178991.db2.gz AXKCNCPAXINETF-AIBQHXCESA-N 2 2 439.560 -0.131 20 0 IBADLP CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]2c2ccccc2)C1=O ZINC001158626746 1073179380 /nfs/dbraw/zinc/17/93/80/1073179380.db2.gz ZSCMTIHOKZQYDI-IZORYLLQSA-N 2 2 439.560 -0.129 20 0 IBADLP CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]2c2ccccc2)C1=O ZINC001158626747 1073179389 /nfs/dbraw/zinc/17/93/89/1073179389.db2.gz ZSCMTIHOKZQYDI-LZFFWASXSA-N 2 2 439.560 -0.129 20 0 IBADLP CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]2c2ccccc2)C1=O ZINC001158626748 1073179415 /nfs/dbraw/zinc/17/94/15/1073179415.db2.gz ZSCMTIHOKZQYDI-RKGYPADOSA-N 2 2 439.560 -0.129 20 0 IBADLP CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]2c2ccccc2)C1=O ZINC001158626749 1073179396 /nfs/dbraw/zinc/17/93/96/1073179396.db2.gz ZSCMTIHOKZQYDI-TWXAQOBRSA-N 2 2 439.560 -0.129 20 0 IBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630701 1073180443 /nfs/dbraw/zinc/18/04/43/1073180443.db2.gz VZUGDSIZAGCUNQ-INIZCTEOSA-N 2 2 430.513 -0.547 20 0 IBADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158658110 1073182025 /nfs/dbraw/zinc/18/20/25/1073182025.db2.gz ILEISBLSWUVHCV-AWEZNQCLSA-N 2 2 431.497 -0.098 20 0 IBADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001158697825 1073184095 /nfs/dbraw/zinc/18/40/95/1073184095.db2.gz HXNINCRNZWKQHQ-YJBOKZPZSA-N 2 2 447.584 -0.135 20 0 IBADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001158734487 1073184636 /nfs/dbraw/zinc/18/46/36/1073184636.db2.gz ABWLBBOLOBVNDA-INIZCTEOSA-N 2 2 428.511 -0.131 20 0 IBADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001158734488 1073184789 /nfs/dbraw/zinc/18/47/89/1073184789.db2.gz ABWLBBOLOBVNDA-MRXNPFEDSA-N 2 2 428.511 -0.131 20 0 IBADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158821917 1073188167 /nfs/dbraw/zinc/18/81/67/1073188167.db2.gz QIUOVSALXQIBNA-BBRMVZONSA-N 2 2 429.481 -0.742 20 0 IBADLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158857623 1073188845 /nfs/dbraw/zinc/18/88/45/1073188845.db2.gz VKIHNTZRHWFCSS-KSSFIOAISA-N 2 2 433.557 -0.411 20 0 IBADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158857623 1073188843 /nfs/dbraw/zinc/18/88/43/1073188843.db2.gz VKIHNTZRHWFCSS-KSSFIOAISA-N 2 2 433.557 -0.411 20 0 IBADLP CC(C)N(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870903 1073188816 /nfs/dbraw/zinc/18/88/16/1073188816.db2.gz DWBLRCILFBBTGT-CDMIOBSGSA-N 3 2 429.569 -0.035 20 0 IBADLP CC(C)N(C(=O)CN1CC[NH2+]CC1=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158871289 1073189272 /nfs/dbraw/zinc/18/92/72/1073189272.db2.gz LGTKYSIDKDXVBL-UHFFFAOYSA-N 2 2 431.541 -0.825 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001159073695 1073196505 /nfs/dbraw/zinc/19/65/05/1073196505.db2.gz AAIAPEQFJNSWAQ-INIZCTEOSA-N 2 2 430.553 -0.149 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001159073696 1073196288 /nfs/dbraw/zinc/19/62/88/1073196288.db2.gz AAIAPEQFJNSWAQ-MRXNPFEDSA-N 2 2 430.553 -0.149 20 0 IBADLP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159073736 1073196530 /nfs/dbraw/zinc/19/65/30/1073196530.db2.gz BXORXICAVZQJBR-INIZCTEOSA-N 2 2 433.557 -0.818 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[NH2+]Cc3ccnn3C1)CC2 ZINC001159073790 1073196516 /nfs/dbraw/zinc/19/65/16/1073196516.db2.gz DXPJKWZZRJTABA-HNNXBMFYSA-N 2 2 426.525 -0.692 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[NH2+]Cc3ccnn3C1)CC2 ZINC001159073791 1073196343 /nfs/dbraw/zinc/19/63/43/1073196343.db2.gz DXPJKWZZRJTABA-OAHLLOKOSA-N 2 2 426.525 -0.692 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)CC2 ZINC001159073901 1073196993 /nfs/dbraw/zinc/19/69/93/1073196993.db2.gz FGUFSOVBLLCTDG-INIZCTEOSA-N 2 2 431.541 -0.968 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]([NH3+])Cc1cccc(O)c1)CC2 ZINC001159074022 1073196933 /nfs/dbraw/zinc/19/69/33/1073196933.db2.gz HIKAHAOIVDMDCO-GOSISDBHSA-N 2 2 426.521 -0.032 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])Cc1cccc(O)c1)CC2 ZINC001159074023 1073196890 /nfs/dbraw/zinc/19/68/90/1073196890.db2.gz HIKAHAOIVDMDCO-SFHVURJKSA-N 2 2 426.521 -0.032 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001159074054 1073197007 /nfs/dbraw/zinc/19/70/07/1073197007.db2.gz HWSIXWSFAPOIOK-KRWDZBQOSA-N 3 2 429.569 -0.433 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001159074056 1073197034 /nfs/dbraw/zinc/19/70/34/1073197034.db2.gz HWSIXWSFAPOIOK-QGZVFWFLSA-N 3 2 429.569 -0.433 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])Cc1ccc(C(N)=O)cc1 ZINC001159074399 1073196837 /nfs/dbraw/zinc/19/68/37/1073196837.db2.gz AQSWNTORVVABNV-FGSXEWAUSA-N 2 2 432.521 -0.090 20 0 IBADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])Cc1ccc(C(N)=O)cc1 ZINC001159074400 1073196952 /nfs/dbraw/zinc/19/69/52/1073196952.db2.gz AQSWNTORVVABNV-KGVIQGDOSA-N 2 2 432.521 -0.090 20 0 IBADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])Cc1ccc(C(N)=O)cc1 ZINC001159074401 1073197021 /nfs/dbraw/zinc/19/70/21/1073197021.db2.gz AQSWNTORVVABNV-NPPFBWRTSA-N 2 2 432.521 -0.090 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])Cc1ccc(C(N)=O)cc1 ZINC001159074402 1073196876 /nfs/dbraw/zinc/19/68/76/1073196876.db2.gz AQSWNTORVVABNV-SPEDKVCISA-N 2 2 432.521 -0.090 20 0 IBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159074667 1073197049 /nfs/dbraw/zinc/19/70/49/1073197049.db2.gz IJYMEYGBRYSURU-KSSFIOAISA-N 2 2 433.557 -0.818 20 0 IBADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159074744 1073196853 /nfs/dbraw/zinc/19/68/53/1073196853.db2.gz KQCQXWHWIUEZDE-RDJZCZTQSA-N 2 2 447.584 -0.430 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CC[C@]3(C1)C[NH2+]CCO3)CC2 ZINC001159074752 1073196919 /nfs/dbraw/zinc/19/69/19/1073196919.db2.gz KYKLQCMDBHCUMM-AOMKIAJQSA-N 2 2 430.553 -0.149 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CC[C@@]3(C1)C[NH2+]CCO3)CC2 ZINC001159074753 1073196907 /nfs/dbraw/zinc/19/69/07/1073196907.db2.gz KYKLQCMDBHCUMM-KSFYIVLOSA-N 2 2 430.553 -0.149 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CC[C@@]3(C1)C[NH2+]CCO3)CC2 ZINC001159074754 1073196866 /nfs/dbraw/zinc/19/68/66/1073196866.db2.gz KYKLQCMDBHCUMM-OPAMFIHVSA-N 2 2 430.553 -0.149 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CC[C@]3(C1)C[NH2+]CCO3)CC2 ZINC001159074755 1073196829 /nfs/dbraw/zinc/19/68/29/1073196829.db2.gz KYKLQCMDBHCUMM-ZHRRBRCNSA-N 2 2 430.553 -0.149 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001159074873 1073196812 /nfs/dbraw/zinc/19/68/12/1073196812.db2.gz CQDVNEKLUXDTSO-FIKGOQFSSA-N 2 2 446.552 -0.216 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001159074875 1073196974 /nfs/dbraw/zinc/19/69/74/1073196974.db2.gz CQDVNEKLUXDTSO-FVJLSDCUSA-N 2 2 446.552 -0.216 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001159074877 1073196964 /nfs/dbraw/zinc/19/69/64/1073196964.db2.gz CQDVNEKLUXDTSO-LZJOCLMNSA-N 2 2 446.552 -0.216 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001159074879 1073196982 /nfs/dbraw/zinc/19/69/82/1073196982.db2.gz CQDVNEKLUXDTSO-WWMYMODYSA-N 2 2 446.552 -0.216 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC001159075319 1073197460 /nfs/dbraw/zinc/19/74/60/1073197460.db2.gz NCAMRPDLIUBBFK-GOSISDBHSA-N 2 2 430.553 -0.149 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC001159075321 1073197448 /nfs/dbraw/zinc/19/74/48/1073197448.db2.gz NCAMRPDLIUBBFK-SFHVURJKSA-N 2 2 430.553 -0.149 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@]13CCCO[C@@H]1CC[NH2+]C3)CC2 ZINC001159075351 1073197425 /nfs/dbraw/zinc/19/74/25/1073197425.db2.gz NNCFUAIICFMVPV-XMSQKQJNSA-N 2 2 430.553 -0.149 20 0 IBADLP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159075386 1073197468 /nfs/dbraw/zinc/19/74/68/1073197468.db2.gz OITHBOKWIHOHOQ-KRWDZBQOSA-N 2 2 433.557 -0.674 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1([NH3+])CCC3(CC1)OCCO3)CC2 ZINC001159075430 1073197389 /nfs/dbraw/zinc/19/73/89/1073197389.db2.gz OPXZHTVLFYUAIU-UHFFFAOYSA-N 2 2 446.552 -0.293 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1)CC2 ZINC001159075960 1073197489 /nfs/dbraw/zinc/19/74/89/1073197489.db2.gz QRZNCFJYRGJLFL-HKUYNNGSSA-N 2 2 443.596 -0.091 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1)CC2 ZINC001159075966 1073197334 /nfs/dbraw/zinc/19/73/34/1073197334.db2.gz QRZNCFJYRGJLFL-IEBWSBKVSA-N 2 2 443.596 -0.091 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1)CC2 ZINC001159075971 1073197501 /nfs/dbraw/zinc/19/75/01/1073197501.db2.gz QRZNCFJYRGJLFL-MJGOQNOKSA-N 2 2 443.596 -0.091 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1)CC2 ZINC001159075978 1073197514 /nfs/dbraw/zinc/19/75/14/1073197514.db2.gz QRZNCFJYRGJLFL-PKOBYXMFSA-N 2 2 443.596 -0.091 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[NH2+]CC13CCOCC3)CC2 ZINC001159076420 1073197435 /nfs/dbraw/zinc/19/74/35/1073197435.db2.gz USXNJHMBGFIYHR-KRWDZBQOSA-N 2 2 430.553 -0.291 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[NH2+]CC13CCOCC3)CC2 ZINC001159076426 1073197382 /nfs/dbraw/zinc/19/73/82/1073197382.db2.gz USXNJHMBGFIYHR-QGZVFWFLSA-N 2 2 430.553 -0.291 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCCN([C@H]3CC[NH2+]C3)C1)CC2 ZINC001159076429 1073197372 /nfs/dbraw/zinc/19/73/72/1073197372.db2.gz UUKQYYBTZFUFBB-MSOLQXFVSA-N 2 2 443.596 -0.234 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCCN([C@@H]3CC[NH2+]C3)C1)CC2 ZINC001159076433 1073197958 /nfs/dbraw/zinc/19/79/58/1073197958.db2.gz UUKQYYBTZFUFBB-QZTJIDSGSA-N 2 2 443.596 -0.234 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CCCN([C@H]3CC[NH2+]C3)C1)CC2 ZINC001159076437 1073197929 /nfs/dbraw/zinc/19/79/29/1073197929.db2.gz UUKQYYBTZFUFBB-ROUUACIJSA-N 2 2 443.596 -0.234 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CCCN([C@@H]3CC[NH2+]C3)C1)CC2 ZINC001159076441 1073197914 /nfs/dbraw/zinc/19/79/14/1073197914.db2.gz UUKQYYBTZFUFBB-ZWKOTPCHSA-N 2 2 443.596 -0.234 20 0 IBADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159076465 1073197940 /nfs/dbraw/zinc/19/79/40/1073197940.db2.gz VFTHEWXGCYOZKX-INIZCTEOSA-N 2 2 433.557 -0.818 20 0 IBADLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159076486 1073197863 /nfs/dbraw/zinc/19/78/63/1073197863.db2.gz VOXXCFYMKFJOGK-KRWDZBQOSA-N 2 2 433.557 -0.674 20 0 IBADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001159076594 1073197950 /nfs/dbraw/zinc/19/79/50/1073197950.db2.gz JYLFWESUQGCLDM-CKJXQJPGSA-N 2 2 442.557 -0.500 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001159076595 1073197989 /nfs/dbraw/zinc/19/79/89/1073197989.db2.gz JYLFWESUQGCLDM-QYWGDWMGSA-N 2 2 442.557 -0.500 20 0 IBADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001159076596 1073197892 /nfs/dbraw/zinc/19/78/92/1073197892.db2.gz JYLFWESUQGCLDM-VWKPWSFCSA-N 2 2 442.557 -0.500 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001159076597 1073197877 /nfs/dbraw/zinc/19/78/77/1073197877.db2.gz JYLFWESUQGCLDM-XFQAVAEZSA-N 2 2 442.557 -0.500 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001159076616 1073197996 /nfs/dbraw/zinc/19/79/96/1073197996.db2.gz KFSRGYSHQNMKPZ-FTRWYGJKSA-N 2 2 447.540 -0.821 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001159076619 1073197906 /nfs/dbraw/zinc/19/79/06/1073197906.db2.gz KFSRGYSHQNMKPZ-GUXCAODWSA-N 2 2 447.540 -0.821 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001159076622 1073197972 /nfs/dbraw/zinc/19/79/72/1073197972.db2.gz KFSRGYSHQNMKPZ-QINHECLXSA-N 2 2 447.540 -0.821 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001159076625 1073197967 /nfs/dbraw/zinc/19/79/67/1073197967.db2.gz KFSRGYSHQNMKPZ-YRNRMSPPSA-N 2 2 447.540 -0.821 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)CCN1)CC2 ZINC001159076782 1073198009 /nfs/dbraw/zinc/19/80/09/1073198009.db2.gz WOHKOKUJQNDNOB-KRWDZBQOSA-N 2 2 431.585 -0.235 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)CCN1)CC2 ZINC001159076782 1073198006 /nfs/dbraw/zinc/19/80/06/1073198006.db2.gz WOHKOKUJQNDNOB-KRWDZBQOSA-N 2 2 431.585 -0.235 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[N@H+](C(C)(C)C)CCN1)CC2 ZINC001159076785 1073197844 /nfs/dbraw/zinc/19/78/44/1073197844.db2.gz WOHKOKUJQNDNOB-QGZVFWFLSA-N 2 2 431.585 -0.235 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[N@@H+](C(C)(C)C)CCN1)CC2 ZINC001159076785 1073197842 /nfs/dbraw/zinc/19/78/42/1073197842.db2.gz WOHKOKUJQNDNOB-QGZVFWFLSA-N 2 2 431.585 -0.235 20 0 IBADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159076819 1073197976 /nfs/dbraw/zinc/19/79/76/1073197976.db2.gz XQMDNCZZEZWKQK-HZPDHXFCSA-N 2 2 432.525 -0.909 20 0 IBADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001159077578 1073198385 /nfs/dbraw/zinc/19/83/85/1073198385.db2.gz QXCLJQKJBWWJQJ-HRAATJIYSA-N 2 2 432.525 -0.245 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001159077579 1073198439 /nfs/dbraw/zinc/19/84/39/1073198439.db2.gz QXCLJQKJBWWJQJ-IERDGZPVSA-N 2 2 432.525 -0.245 20 0 IBADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001159077580 1073198240 /nfs/dbraw/zinc/19/82/40/1073198240.db2.gz QXCLJQKJBWWJQJ-IIBYNOLFSA-N 2 2 432.525 -0.245 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001159077581 1073198356 /nfs/dbraw/zinc/19/83/56/1073198356.db2.gz QXCLJQKJBWWJQJ-KKSFZXQISA-N 2 2 432.525 -0.245 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001159077640 1073198232 /nfs/dbraw/zinc/19/82/32/1073198232.db2.gz RSTJUWXSHUNLMA-MSYCTHLASA-N 2 2 446.548 -0.073 20 0 IBADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001159077649 1073198463 /nfs/dbraw/zinc/19/84/63/1073198463.db2.gz RSTJUWXSHUNLMA-SELNLUPBSA-N 2 2 446.548 -0.073 20 0 IBADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001159077651 1073198402 /nfs/dbraw/zinc/19/84/02/1073198402.db2.gz RSTJUWXSHUNLMA-SFYKDHMMSA-N 2 2 446.548 -0.073 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001159077653 1073198348 /nfs/dbraw/zinc/19/83/48/1073198348.db2.gz RSTJUWXSHUNLMA-YDHSSHFGSA-N 2 2 446.548 -0.073 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001159077939 1073198284 /nfs/dbraw/zinc/19/82/84/1073198284.db2.gz SRHCCRROAVZYKG-MSYCTHLASA-N 2 2 446.548 -0.073 20 0 IBADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001159077940 1073198479 /nfs/dbraw/zinc/19/84/79/1073198479.db2.gz SRHCCRROAVZYKG-SELNLUPBSA-N 2 2 446.548 -0.073 20 0 IBADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001159077941 1073198327 /nfs/dbraw/zinc/19/83/27/1073198327.db2.gz SRHCCRROAVZYKG-SFYKDHMMSA-N 2 2 446.548 -0.073 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001159077942 1073198368 /nfs/dbraw/zinc/19/83/68/1073198368.db2.gz SRHCCRROAVZYKG-YDHSSHFGSA-N 2 2 446.548 -0.073 20 0 IBADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001159078570 1073198427 /nfs/dbraw/zinc/19/84/27/1073198427.db2.gz XRXJMZUYYVYHMW-BZDHPDOMSA-N 2 2 436.553 -0.016 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001159078571 1073198492 /nfs/dbraw/zinc/19/84/92/1073198492.db2.gz XRXJMZUYYVYHMW-MSQSPTIYSA-N 2 2 436.553 -0.016 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001159078572 1073198317 /nfs/dbraw/zinc/19/83/17/1073198317.db2.gz XRXJMZUYYVYHMW-ORGXJRBJSA-N 2 2 436.553 -0.016 20 0 IBADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001159078573 1073198251 /nfs/dbraw/zinc/19/82/51/1073198251.db2.gz XRXJMZUYYVYHMW-VDNWNZSNSA-N 2 2 436.553 -0.016 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078638 1073198308 /nfs/dbraw/zinc/19/83/08/1073198308.db2.gz XUBOZOALUXPXAI-LQWHRVPQSA-N 3 2 438.569 -0.306 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078638 1073198303 /nfs/dbraw/zinc/19/83/03/1073198303.db2.gz XUBOZOALUXPXAI-LQWHRVPQSA-N 3 2 438.569 -0.306 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078639 1073198862 /nfs/dbraw/zinc/19/88/62/1073198862.db2.gz XUBOZOALUXPXAI-OPYAIIAOSA-N 3 2 438.569 -0.306 20 0 IBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078639 1073198860 /nfs/dbraw/zinc/19/88/60/1073198860.db2.gz XUBOZOALUXPXAI-OPYAIIAOSA-N 3 2 438.569 -0.306 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078640 1073198910 /nfs/dbraw/zinc/19/89/10/1073198910.db2.gz XUBOZOALUXPXAI-UEXGIBASSA-N 3 2 438.569 -0.306 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078640 1073198909 /nfs/dbraw/zinc/19/89/09/1073198909.db2.gz XUBOZOALUXPXAI-UEXGIBASSA-N 3 2 438.569 -0.306 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078641 1073198927 /nfs/dbraw/zinc/19/89/27/1073198927.db2.gz XUBOZOALUXPXAI-WFXMLNOXSA-N 3 2 438.569 -0.306 20 0 IBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001159078641 1073198926 /nfs/dbraw/zinc/19/89/26/1073198926.db2.gz XUBOZOALUXPXAI-WFXMLNOXSA-N 3 2 438.569 -0.306 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cnc3n1CC[NH2+]CC3)CC2 ZINC001159085912 1073198983 /nfs/dbraw/zinc/19/89/83/1073198983.db2.gz ZVEQELNXXHYCJS-UHFFFAOYSA-N 2 2 426.525 -0.652 20 0 IBADLP CCn1nnc2c1[C@H](C(=O)N1CCc3c(nnn3C)[C@H]1COCC[NH+]1CCCC1)C[NH2+]C2 ZINC001159117787 1073199437 /nfs/dbraw/zinc/19/94/37/1073199437.db2.gz VWFCMQYQCWETJC-CRAIPNDOSA-N 2 2 443.556 -0.148 20 0 IBADLP CCn1nnc2c1[C@@H](C(=O)N1CCc3c(nnn3C)[C@H]1COCC[NH+]1CCCC1)C[NH2+]C2 ZINC001159117788 1073199401 /nfs/dbraw/zinc/19/94/01/1073199401.db2.gz VWFCMQYQCWETJC-MAUKXSAKSA-N 2 2 443.556 -0.148 20 0 IBADLP CCn1nnc2c1[C@H](C(=O)N1CCc3c(nnn3C)[C@@H]1COCC[NH+]1CCCC1)C[NH2+]C2 ZINC001159117789 1073199500 /nfs/dbraw/zinc/19/95/00/1073199500.db2.gz VWFCMQYQCWETJC-QAPCUYQASA-N 2 2 443.556 -0.148 20 0 IBADLP CCn1nnc2c1[C@@H](C(=O)N1CCc3c(nnn3C)[C@@H]1COCC[NH+]1CCCC1)C[NH2+]C2 ZINC001159117790 1073199448 /nfs/dbraw/zinc/19/94/48/1073199448.db2.gz VWFCMQYQCWETJC-YJBOKZPZSA-N 2 2 443.556 -0.148 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)CC[NH2+]1 ZINC001159123909 1073199929 /nfs/dbraw/zinc/19/99/29/1073199929.db2.gz KSASELTYJXAVJS-BQFCYCMXSA-N 2 2 434.541 -0.106 20 0 IBADLP COC(=O)[C@@H]1C[C@H](C(=O)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)CC[NH2+]1 ZINC001159123911 1073199937 /nfs/dbraw/zinc/19/99/37/1073199937.db2.gz KSASELTYJXAVJS-RYRKJORJSA-N 2 2 434.541 -0.106 20 0 IBADLP COC(=O)[C@@H]1C[C@H](C(=O)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)CC[NH2+]1 ZINC001159123914 1073200006 /nfs/dbraw/zinc/20/00/06/1073200006.db2.gz KSASELTYJXAVJS-SOLBZPMBSA-N 2 2 434.541 -0.106 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)CC[NH2+]1 ZINC001159123915 1073199763 /nfs/dbraw/zinc/19/97/63/1073199763.db2.gz KSASELTYJXAVJS-XYJFISCASA-N 2 2 434.541 -0.106 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C)C2)C1 ZINC001159124658 1073199833 /nfs/dbraw/zinc/19/98/33/1073199833.db2.gz PEELXTNYXSSZRK-HRAATJIYSA-N 2 2 426.558 -0.007 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C)C2)C1 ZINC001159124658 1073199829 /nfs/dbraw/zinc/19/98/29/1073199829.db2.gz PEELXTNYXSSZRK-HRAATJIYSA-N 2 2 426.558 -0.007 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C)C2)C1 ZINC001159124659 1073199781 /nfs/dbraw/zinc/19/97/81/1073199781.db2.gz PEELXTNYXSSZRK-KKSFZXQISA-N 2 2 426.558 -0.007 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C)C2)C1 ZINC001159124659 1073199775 /nfs/dbraw/zinc/19/97/75/1073199775.db2.gz PEELXTNYXSSZRK-KKSFZXQISA-N 2 2 426.558 -0.007 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)C2)C1 ZINC001159124688 1073200325 /nfs/dbraw/zinc/20/03/25/1073200325.db2.gz PYRDOOCOIMCGRO-FIKGOQFSSA-N 2 2 425.574 -0.449 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)C2)C1 ZINC001159124688 1073200314 /nfs/dbraw/zinc/20/03/14/1073200314.db2.gz PYRDOOCOIMCGRO-FIKGOQFSSA-N 2 2 425.574 -0.449 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)C2)C1 ZINC001159124689 1073200458 /nfs/dbraw/zinc/20/04/58/1073200458.db2.gz PYRDOOCOIMCGRO-XGHQBKJUSA-N 2 2 425.574 -0.449 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)C2)C1 ZINC001159124689 1073200455 /nfs/dbraw/zinc/20/04/55/1073200455.db2.gz PYRDOOCOIMCGRO-XGHQBKJUSA-N 2 2 425.574 -0.449 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001159125008 1073200388 /nfs/dbraw/zinc/20/03/88/1073200388.db2.gz BSKONQQWUZKWDA-CVDCTZTESA-N 2 2 445.564 -0.640 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001159125008 1073200380 /nfs/dbraw/zinc/20/03/80/1073200380.db2.gz BSKONQQWUZKWDA-CVDCTZTESA-N 2 2 445.564 -0.640 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001159125009 1073200520 /nfs/dbraw/zinc/20/05/20/1073200520.db2.gz BSKONQQWUZKWDA-WMZHIEFXSA-N 2 2 445.564 -0.640 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001159125009 1073200516 /nfs/dbraw/zinc/20/05/16/1073200516.db2.gz BSKONQQWUZKWDA-WMZHIEFXSA-N 2 2 445.564 -0.640 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]([NH3+])C3CCC4(CC3)OCCO4)C2)C1 ZINC001159125162 1073200847 /nfs/dbraw/zinc/20/08/47/1073200847.db2.gz CPBCWRMWZBDPEM-CTNGQTDRSA-N 2 2 438.569 -0.066 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]([NH3+])C3CCC4(CC3)OCCO4)C2)C1 ZINC001159125162 1073200838 /nfs/dbraw/zinc/20/08/38/1073200838.db2.gz CPBCWRMWZBDPEM-CTNGQTDRSA-N 2 2 438.569 -0.066 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])C3CCC4(CC3)OCCO4)C2)C1 ZINC001159125163 1073200683 /nfs/dbraw/zinc/20/06/83/1073200683.db2.gz CPBCWRMWZBDPEM-FPOVZHCZSA-N 2 2 438.569 -0.066 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])C3CCC4(CC3)OCCO4)C2)C1 ZINC001159125163 1073200677 /nfs/dbraw/zinc/20/06/77/1073200677.db2.gz CPBCWRMWZBDPEM-FPOVZHCZSA-N 2 2 438.569 -0.066 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])C3CCC4(CC3)OCCO4)C2)C1 ZINC001159125164 1073200884 /nfs/dbraw/zinc/20/08/84/1073200884.db2.gz CPBCWRMWZBDPEM-PZJWPPBQSA-N 2 2 438.569 -0.066 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])C3CCC4(CC3)OCCO4)C2)C1 ZINC001159125164 1073200879 /nfs/dbraw/zinc/20/08/79/1073200879.db2.gz CPBCWRMWZBDPEM-PZJWPPBQSA-N 2 2 438.569 -0.066 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]([NH3+])C3CCC4(CC3)OCCO4)C2)C1 ZINC001159125165 1073200925 /nfs/dbraw/zinc/20/09/25/1073200925.db2.gz CPBCWRMWZBDPEM-TZIWHRDSSA-N 2 2 438.569 -0.066 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]([NH3+])C3CCC4(CC3)OCCO4)C2)C1 ZINC001159125165 1073200919 /nfs/dbraw/zinc/20/09/19/1073200919.db2.gz CPBCWRMWZBDPEM-TZIWHRDSSA-N 2 2 438.569 -0.066 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[NH3+])C2)C1 ZINC001159126042 1073200740 /nfs/dbraw/zinc/20/07/40/1073200740.db2.gz KQXINTSQGDLEPY-CVDCTZTESA-N 2 2 445.564 -0.640 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[NH3+])C2)C1 ZINC001159126042 1073200732 /nfs/dbraw/zinc/20/07/32/1073200732.db2.gz KQXINTSQGDLEPY-CVDCTZTESA-N 2 2 445.564 -0.640 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[NH3+])C2)C1 ZINC001159126043 1073200825 /nfs/dbraw/zinc/20/08/25/1073200825.db2.gz KQXINTSQGDLEPY-WMZHIEFXSA-N 2 2 445.564 -0.640 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[NH3+])C2)C1 ZINC001159126043 1073200821 /nfs/dbraw/zinc/20/08/21/1073200821.db2.gz KQXINTSQGDLEPY-WMZHIEFXSA-N 2 2 445.564 -0.640 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cccnc3N3CC[NH2+]CC3)C2)C1 ZINC001159127082 1073200782 /nfs/dbraw/zinc/20/07/82/1073200782.db2.gz RQBAZEAHXWWGLT-JOCHJYFZSA-N 2 2 430.553 -0.208 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cccnc3N3CC[NH2+]CC3)C2)C1 ZINC001159127082 1073200776 /nfs/dbraw/zinc/20/07/76/1073200776.db2.gz RQBAZEAHXWWGLT-JOCHJYFZSA-N 2 2 430.553 -0.208 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccnc3N3CC[NH2+]CC3)C2)C1 ZINC001159127087 1073200976 /nfs/dbraw/zinc/20/09/76/1073200976.db2.gz RQBAZEAHXWWGLT-QFIPXVFZSA-N 2 2 430.553 -0.208 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccnc3N3CC[NH2+]CC3)C2)C1 ZINC001159127087 1073200970 /nfs/dbraw/zinc/20/09/70/1073200970.db2.gz RQBAZEAHXWWGLT-QFIPXVFZSA-N 2 2 430.553 -0.208 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001159127467 1073200939 /nfs/dbraw/zinc/20/09/39/1073200939.db2.gz SQQDFJZFOGJMHV-AVRDEDQJSA-N 2 2 431.537 -0.658 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001159127467 1073200934 /nfs/dbraw/zinc/20/09/34/1073200934.db2.gz SQQDFJZFOGJMHV-AVRDEDQJSA-N 2 2 431.537 -0.658 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001159127470 1073200707 /nfs/dbraw/zinc/20/07/07/1073200707.db2.gz SQQDFJZFOGJMHV-PGRDOPGGSA-N 2 2 431.537 -0.658 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001159127470 1073200702 /nfs/dbraw/zinc/20/07/02/1073200702.db2.gz SQQDFJZFOGJMHV-PGRDOPGGSA-N 2 2 431.537 -0.658 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnc(N4CC[NH2+]CC4)cn3)C2)C1 ZINC001159127548 1073201486 /nfs/dbraw/zinc/20/14/86/1073201486.db2.gz TVXAFEFPBSBRPW-NRFANRHFSA-N 2 2 431.541 -0.813 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnc(N4CC[NH2+]CC4)cn3)C2)C1 ZINC001159127548 1073201483 /nfs/dbraw/zinc/20/14/83/1073201483.db2.gz TVXAFEFPBSBRPW-NRFANRHFSA-N 2 2 431.541 -0.813 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cnc(N4CC[NH2+]CC4)cn3)C2)C1 ZINC001159127552 1073201473 /nfs/dbraw/zinc/20/14/73/1073201473.db2.gz TVXAFEFPBSBRPW-OAQYLSRUSA-N 2 2 431.541 -0.813 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cnc(N4CC[NH2+]CC4)cn3)C2)C1 ZINC001159127552 1073201470 /nfs/dbraw/zinc/20/14/70/1073201470.db2.gz TVXAFEFPBSBRPW-OAQYLSRUSA-N 2 2 431.541 -0.813 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3csc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001159128361 1073201365 /nfs/dbraw/zinc/20/13/65/1073201365.db2.gz YOIHPQKROHOHJX-FQEVSTJZSA-N 2 2 436.582 -0.147 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3csc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001159128361 1073201361 /nfs/dbraw/zinc/20/13/61/1073201361.db2.gz YOIHPQKROHOHJX-FQEVSTJZSA-N 2 2 436.582 -0.147 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3csc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001159128362 1073201306 /nfs/dbraw/zinc/20/13/06/1073201306.db2.gz YOIHPQKROHOHJX-HXUWFJFHSA-N 2 2 436.582 -0.147 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3csc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001159128362 1073201299 /nfs/dbraw/zinc/20/12/99/1073201299.db2.gz YOIHPQKROHOHJX-HXUWFJFHSA-N 2 2 436.582 -0.147 20 0 IBADLP CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)CCC2 ZINC001159173242 1073202293 /nfs/dbraw/zinc/20/22/93/1073202293.db2.gz QTDNYVGRMKZPDE-KRWDZBQOSA-N 2 2 429.525 -0.059 20 0 IBADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC3)C1=O ZINC001159183190 1073203686 /nfs/dbraw/zinc/20/36/86/1073203686.db2.gz ZQCTUXAYADWSNG-BEFAXECRSA-N 2 2 438.554 -0.988 20 0 IBADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC3)C1=O ZINC001159183194 1073203727 /nfs/dbraw/zinc/20/37/27/1073203727.db2.gz ZQCTUXAYADWSNG-DNVCBOLYSA-N 2 2 438.554 -0.988 20 0 IBADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC3)C1=O ZINC001159183196 1073203584 /nfs/dbraw/zinc/20/35/84/1073203584.db2.gz ZQCTUXAYADWSNG-HNAYVOBHSA-N 2 2 438.554 -0.988 20 0 IBADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC3)C1=O ZINC001159183198 1073203795 /nfs/dbraw/zinc/20/37/95/1073203795.db2.gz ZQCTUXAYADWSNG-KXBFYZLASA-N 2 2 438.554 -0.988 20 0 IBADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001159191051 1073204999 /nfs/dbraw/zinc/20/49/99/1073204999.db2.gz AAIDKOICAGLCQJ-IEZWGBDMSA-N 2 2 446.552 -0.278 20 0 IBADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001159191052 1073204983 /nfs/dbraw/zinc/20/49/83/1073204983.db2.gz AAIDKOICAGLCQJ-WDYCEAGBSA-N 2 2 446.552 -0.278 20 0 IBADLP O=C(NCCc1ccccn1)[C@@H]1CO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@@H]2C1 ZINC001159202964 1073205873 /nfs/dbraw/zinc/20/58/73/1073205873.db2.gz LOAUZNJZMAWRLJ-PHTMTLDSSA-N 2 2 427.549 -0.055 20 0 IBADLP O=C(NCCc1ccccn1)[C@@H]1CO[C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@@H]2C1 ZINC001159202973 1073205900 /nfs/dbraw/zinc/20/59/00/1073205900.db2.gz LOAUZNJZMAWRLJ-SJWLEXSCSA-N 2 2 427.549 -0.055 20 0 IBADLP O=C(NCCc1ccccn1)[C@@H]1CO[C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@@H]2C1 ZINC001159202974 1073205889 /nfs/dbraw/zinc/20/58/89/1073205889.db2.gz LOAUZNJZMAWRLJ-WFZYTRFKSA-N 2 2 427.549 -0.055 20 0 IBADLP O=C(NCCc1ccccn1)[C@@H]1CO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@@H]2C1 ZINC001159202975 1073205881 /nfs/dbraw/zinc/20/58/81/1073205881.db2.gz LOAUZNJZMAWRLJ-WOTZFJLUSA-N 2 2 427.549 -0.055 20 0 IBADLP O=C(NCCc1ccccn1)[C@@H]1CO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@@H]2C1 ZINC001159204627 1073206363 /nfs/dbraw/zinc/20/63/63/1073206363.db2.gz ZHVDJFVPFZQXQE-MVCQNYRTSA-N 2 2 427.549 -0.056 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1)C(N)=O ZINC001159282696 1073208589 /nfs/dbraw/zinc/20/85/89/1073208589.db2.gz GVSZKWDWNXEPJY-HDMKZQKVSA-N 2 2 443.508 -0.587 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1)C(N)=O ZINC001159282697 1073208731 /nfs/dbraw/zinc/20/87/31/1073208731.db2.gz GVSZKWDWNXEPJY-RLFYNMQTSA-N 2 2 443.508 -0.587 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001159283695 1073208510 /nfs/dbraw/zinc/20/85/10/1073208510.db2.gz SEUWFPIVGBZIIR-VBQJREDUSA-N 2 2 429.481 -0.977 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001159283696 1073208701 /nfs/dbraw/zinc/20/87/01/1073208701.db2.gz SEUWFPIVGBZIIR-ZQIUZPCESA-N 2 2 429.481 -0.977 20 0 IBADLP CO[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316419 1073209537 /nfs/dbraw/zinc/20/95/37/1073209537.db2.gz HEWNBTGSZIZGES-INDMIFKZSA-N 2 2 434.562 -0.094 20 0 IBADLP CO[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316420 1073209339 /nfs/dbraw/zinc/20/93/39/1073209339.db2.gz HEWNBTGSZIZGES-WJFTUGDTSA-N 2 2 434.562 -0.094 20 0 IBADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2)C1 ZINC001159359560 1073210457 /nfs/dbraw/zinc/21/04/57/1073210457.db2.gz YGYJMHPOITZJRM-UQASEVPWSA-N 2 2 437.541 -0.443 20 0 IBADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2)C1 ZINC001159359560 1073210447 /nfs/dbraw/zinc/21/04/47/1073210447.db2.gz YGYJMHPOITZJRM-UQASEVPWSA-N 2 2 437.541 -0.443 20 0 IBADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2)C1 ZINC001159359561 1073210485 /nfs/dbraw/zinc/21/04/85/1073210485.db2.gz YGYJMHPOITZJRM-XERREHJYSA-N 2 2 437.541 -0.443 20 0 IBADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2)C1 ZINC001159359561 1073210478 /nfs/dbraw/zinc/21/04/78/1073210478.db2.gz YGYJMHPOITZJRM-XERREHJYSA-N 2 2 437.541 -0.443 20 0 IBADLP Cn1nc2c(c1C(=O)n1cc3c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C3)C[NH2+]C2 ZINC001159393342 1073211087 /nfs/dbraw/zinc/21/10/87/1073211087.db2.gz CBJMGGJENRDSEK-GOEBONIOSA-N 2 2 443.533 -0.797 20 0 IBADLP O=C(c1cnc2n1CC[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393347 1073211126 /nfs/dbraw/zinc/21/11/26/1073211126.db2.gz CGGUYGLZVYFXQE-GOEBONIOSA-N 2 2 443.533 -0.834 20 0 IBADLP COC(=O)[C@@H]([NH3+])CCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393363 1073211024 /nfs/dbraw/zinc/21/10/24/1073211024.db2.gz CZJKXOKCWFMKMS-SOUVJXGZSA-N 2 2 437.522 -0.902 20 0 IBADLP [NH3+][C@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)c1cccnc1 ZINC001159394274 1073211308 /nfs/dbraw/zinc/21/13/08/1073211308.db2.gz MOMXGHDOGUPRSF-BBWFWOEESA-N 2 2 428.518 -0.087 20 0 IBADLP [NH3+][C@@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)c1cccnc1 ZINC001159394276 1073211413 /nfs/dbraw/zinc/21/14/13/1073211413.db2.gz MOMXGHDOGUPRSF-GVDBMIGSSA-N 2 2 428.518 -0.087 20 0 IBADLP O=C(C[NH2+]C1CC[NH2+]CC1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394841 1073211776 /nfs/dbraw/zinc/21/17/76/1073211776.db2.gz RHHAKJSCHSGYDK-DLBZAZTESA-N 3 2 434.566 -0.841 20 0 IBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394862 1073211949 /nfs/dbraw/zinc/21/19/49/1073211949.db2.gz SDPYOFUKPLWCKJ-YESZJQIVSA-N 3 2 445.549 -0.879 20 0 IBADLP Nc1ncn(-c2cnn(CC[NH+]3CCOCC3)c2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159395170 1073211928 /nfs/dbraw/zinc/21/19/28/1073211928.db2.gz DONIKADJEIDOGX-GDBMZVCRSA-N 2 2 436.948 -0.492 20 0 IBADLP Nc1ncn(-c2cnn(CC[NH+]3CCOCC3)c2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159395171 1073212380 /nfs/dbraw/zinc/21/23/80/1073212380.db2.gz DONIKADJEIDOGX-GOEBONIOSA-N 2 2 436.948 -0.492 20 0 IBADLP Nc1ncn(-c2cnn(CC[NH+]3CCOCC3)c2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159395172 1073212355 /nfs/dbraw/zinc/21/23/55/1073212355.db2.gz DONIKADJEIDOGX-HOCLYGCPSA-N 2 2 436.948 -0.492 20 0 IBADLP Nc1ncn(-c2cnn(CC[NH+]3CCOCC3)c2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159395173 1073212448 /nfs/dbraw/zinc/21/24/48/1073212448.db2.gz DONIKADJEIDOGX-ZBFHGGJFSA-N 2 2 436.948 -0.492 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21)C(N)=O ZINC001159425125 1073214151 /nfs/dbraw/zinc/21/41/51/1073214151.db2.gz PUKWDYIJLQLCOJ-FXTJJVCJSA-N 2 2 446.552 -0.631 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21)C(N)=O ZINC001159425125 1073214149 /nfs/dbraw/zinc/21/41/49/1073214149.db2.gz PUKWDYIJLQLCOJ-FXTJJVCJSA-N 2 2 446.552 -0.631 20 0 IBADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC3)CC1 ZINC001159425395 1073214208 /nfs/dbraw/zinc/21/42/08/1073214208.db2.gz QRZJVKJVEHADFX-KRWDZBQOSA-N 2 2 435.573 -0.769 20 0 IBADLP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514339 1073219950 /nfs/dbraw/zinc/21/99/50/1073219950.db2.gz BYTYLYKYDGNTMG-HNNXBMFYSA-N 2 2 433.538 -0.330 20 0 IBADLP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514340 1073219800 /nfs/dbraw/zinc/21/98/00/1073219800.db2.gz BYTYLYKYDGNTMG-OAHLLOKOSA-N 2 2 433.538 -0.330 20 0 IBADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514964 1073219880 /nfs/dbraw/zinc/21/98/80/1073219880.db2.gz MOFJQKYSKILCII-WMZOPIPTSA-N 3 2 443.556 -0.298 20 0 IBADLP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159515995 1073219824 /nfs/dbraw/zinc/21/98/24/1073219824.db2.gz XWPUHCUMIVMZBK-HNNXBMFYSA-N 2 2 438.496 -0.417 20 0 IBADLP CCOC(=O)C1(C(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)C[NH2+]C1 ZINC001159526918 1073220413 /nfs/dbraw/zinc/22/04/13/1073220413.db2.gz AUHVLFNQMSZOIX-INIZCTEOSA-N 2 2 435.525 -0.653 20 0 IBADLP CCOC(=O)C1(C(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)C[NH2+]C1 ZINC001159526919 1073220561 /nfs/dbraw/zinc/22/05/61/1073220561.db2.gz AUHVLFNQMSZOIX-MRXNPFEDSA-N 2 2 435.525 -0.653 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001159526924 1073220638 /nfs/dbraw/zinc/22/06/38/1073220638.db2.gz AVFPEPLHPSAXLP-AEFFLSMTSA-N 2 2 434.541 -0.856 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001159526925 1073220650 /nfs/dbraw/zinc/22/06/50/1073220650.db2.gz AVFPEPLHPSAXLP-WMZOPIPTSA-N 2 2 434.541 -0.856 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]Cc3ccnn3C1)C2 ZINC001159527417 1073220524 /nfs/dbraw/zinc/22/05/24/1073220524.db2.gz CSPJBBCPGDFPRR-MSOLQXFVSA-N 2 2 443.552 -0.189 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]Cc3ccnn3C1)C2 ZINC001159527419 1073220346 /nfs/dbraw/zinc/22/03/46/1073220346.db2.gz CSPJBBCPGDFPRR-QZTJIDSGSA-N 2 2 443.552 -0.189 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[NH2+]Cc3ccnn3C1)C2 ZINC001159527422 1073220500 /nfs/dbraw/zinc/22/05/00/1073220500.db2.gz CSPJBBCPGDFPRR-ROUUACIJSA-N 2 2 443.552 -0.189 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[NH2+]Cc3ccnn3C1)C2 ZINC001159527424 1073220264 /nfs/dbraw/zinc/22/02/64/1073220264.db2.gz CSPJBBCPGDFPRR-ZWKOTPCHSA-N 2 2 443.552 -0.189 20 0 IBADLP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001159528193 1073220312 /nfs/dbraw/zinc/22/03/12/1073220312.db2.gz FTTSVSRYAMZPMZ-LNLFQRSKSA-N 2 2 448.568 -0.467 20 0 IBADLP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001159528195 1073220438 /nfs/dbraw/zinc/22/04/38/1073220438.db2.gz FTTSVSRYAMZPMZ-SCTDSRPQSA-N 2 2 448.568 -0.467 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1ncn3c1C[NH2+]CC3)C2 ZINC001159528233 1073220585 /nfs/dbraw/zinc/22/05/85/1073220585.db2.gz FZQKAOQCPFGTDO-INIZCTEOSA-N 2 2 429.525 -0.192 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1ncn3c1C[NH2+]CC3)C2 ZINC001159528235 1073221154 /nfs/dbraw/zinc/22/11/54/1073221154.db2.gz FZQKAOQCPFGTDO-MRXNPFEDSA-N 2 2 429.525 -0.192 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)COCCOCC[NH3+])C2 ZINC001159528826 1073220967 /nfs/dbraw/zinc/22/09/67/1073220967.db2.gz HTSIUCKYSTURNI-KRWDZBQOSA-N 2 2 425.530 -0.813 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)COCCOCC[NH3+])C2 ZINC001159528829 1073221063 /nfs/dbraw/zinc/22/10/63/1073221063.db2.gz HTSIUCKYSTURNI-QGZVFWFLSA-N 2 2 425.530 -0.813 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1n[nH]c3c1CC[NH2+]C3)C2 ZINC001159529482 1073220980 /nfs/dbraw/zinc/22/09/80/1073220980.db2.gz KVGXZGNDUNBRIR-HNNXBMFYSA-N 2 2 429.525 -0.123 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1n[nH]c3c1CC[NH2+]C3)C2 ZINC001159529483 1073221135 /nfs/dbraw/zinc/22/11/35/1073221135.db2.gz KVGXZGNDUNBRIR-OAHLLOKOSA-N 2 2 429.525 -0.123 20 0 IBADLP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001159529744 1073221043 /nfs/dbraw/zinc/22/10/43/1073221043.db2.gz LNYFYSSGVMEIHJ-JENIJYKNSA-N 2 2 435.525 -0.654 20 0 IBADLP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001159529748 1073221084 /nfs/dbraw/zinc/22/10/84/1073221084.db2.gz LNYFYSSGVMEIHJ-YQVWRLOYSA-N 2 2 435.525 -0.654 20 0 IBADLP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001159529749 1073221105 /nfs/dbraw/zinc/22/11/05/1073221105.db2.gz LNYFYSSGVMEIHJ-ZHALLVOQSA-N 2 2 435.525 -0.654 20 0 IBADLP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001159529750 1073221119 /nfs/dbraw/zinc/22/11/19/1073221119.db2.gz LNYFYSSGVMEIHJ-ZIFCJYIRSA-N 2 2 435.525 -0.654 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[C@H]3C[NH2+]CC[C@@H]3O1)C2 ZINC001159529804 1073221011 /nfs/dbraw/zinc/22/10/11/1073221011.db2.gz MAYCXGWXVCODKW-KVPLUYHFSA-N 2 2 433.553 -0.038 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[C@H]3C[NH2+]CC[C@@H]3O1)C2 ZINC001159529807 1073221075 /nfs/dbraw/zinc/22/10/75/1073221075.db2.gz MAYCXGWXVCODKW-QGZVKYPTSA-N 2 2 433.553 -0.038 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=NO[C@]3(CC[NH2+]C3)C1)C2 ZINC001159529818 1073221127 /nfs/dbraw/zinc/22/11/27/1073221127.db2.gz MIEXAICBEFPRCP-HRAATJIYSA-N 2 2 432.525 -0.297 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=NO[C@@]3(CC[NH2+]C3)C1)C2 ZINC001159529821 1073221142 /nfs/dbraw/zinc/22/11/42/1073221142.db2.gz MIEXAICBEFPRCP-IERDGZPVSA-N 2 2 432.525 -0.297 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=NO[C@]3(CC[NH2+]C3)C1)C2 ZINC001159529823 1073221113 /nfs/dbraw/zinc/22/11/13/1073221113.db2.gz MIEXAICBEFPRCP-IIBYNOLFSA-N 2 2 432.525 -0.297 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=NO[C@@]3(CC[NH2+]C3)C1)C2 ZINC001159529825 1073221095 /nfs/dbraw/zinc/22/10/95/1073221095.db2.gz MIEXAICBEFPRCP-KKSFZXQISA-N 2 2 432.525 -0.297 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2 ZINC001159529855 1073221024 /nfs/dbraw/zinc/22/10/24/1073221024.db2.gz MQNZADALHKCIGY-HDBFXVAESA-N 2 2 427.571 -0.709 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2 ZINC001159529856 1073221377 /nfs/dbraw/zinc/22/13/77/1073221377.db2.gz MQNZADALHKCIGY-LXLLPEIISA-N 2 2 427.571 -0.709 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2 ZINC001159529857 1073221445 /nfs/dbraw/zinc/22/14/45/1073221445.db2.gz MQNZADALHKCIGY-YPOBSOSXSA-N 2 2 427.571 -0.709 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2 ZINC001159529858 1073221501 /nfs/dbraw/zinc/22/15/01/1073221501.db2.gz MQNZADALHKCIGY-ZSIWHHEXSA-N 2 2 427.571 -0.709 20 0 IBADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001159529990 1073221589 /nfs/dbraw/zinc/22/15/89/1073221589.db2.gz MVDFNEFZXVFMLK-KZNAEPCWSA-N 2 2 449.552 -0.407 20 0 IBADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001159529991 1073221639 /nfs/dbraw/zinc/22/16/39/1073221639.db2.gz MVDFNEFZXVFMLK-RCCFBDPRSA-N 2 2 449.552 -0.407 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C2 ZINC001159530020 1073221479 /nfs/dbraw/zinc/22/14/79/1073221479.db2.gz NNKRUCTZMFDXLM-MSOLQXFVSA-N 2 2 448.568 -0.466 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C2 ZINC001159530021 1073221531 /nfs/dbraw/zinc/22/15/31/1073221531.db2.gz NNKRUCTZMFDXLM-ROUUACIJSA-N 2 2 448.568 -0.466 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1[nH]nc3c1C[NH2+]CC3)C2 ZINC001159530056 1073221462 /nfs/dbraw/zinc/22/14/62/1073221462.db2.gz OYGBUBYVUQIIQL-HNNXBMFYSA-N 2 2 429.525 -0.123 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1[nH]nc3c1C[NH2+]CC3)C2 ZINC001159530057 1073221574 /nfs/dbraw/zinc/22/15/74/1073221574.db2.gz OYGBUBYVUQIIQL-OAHLLOKOSA-N 2 2 429.525 -0.123 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001159530170 1073221603 /nfs/dbraw/zinc/22/16/03/1073221603.db2.gz SDXKVHHSFDNSCS-JBYIUTFZSA-N 3 2 432.569 -0.606 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001159530171 1073221430 /nfs/dbraw/zinc/22/14/30/1073221430.db2.gz SDXKVHHSFDNSCS-NJNPRVFISA-N 3 2 432.569 -0.606 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]C[C@H]3CCO[C@H]31)C2 ZINC001159530200 1073221618 /nfs/dbraw/zinc/22/16/18/1073221618.db2.gz SHWJXHYJGVFURU-BMQTXXJKSA-N 2 2 433.553 -0.181 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]C[C@H]3CCO[C@@H]31)C2 ZINC001159530201 1073221550 /nfs/dbraw/zinc/22/15/50/1073221550.db2.gz SHWJXHYJGVFURU-IIMDRIAPSA-N 2 2 433.553 -0.181 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]C[C@@H]3CCO[C@H]31)C2 ZINC001159530202 1073221404 /nfs/dbraw/zinc/22/14/04/1073221404.db2.gz SHWJXHYJGVFURU-LXGFNABISA-N 2 2 433.553 -0.181 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]C[C@@H]3CCO[C@@H]31)C2 ZINC001159530203 1073221966 /nfs/dbraw/zinc/22/19/66/1073221966.db2.gz SHWJXHYJGVFURU-UGNRZPKXSA-N 2 2 433.553 -0.181 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C[C@H]1C[C@H]3C[NH2+]C[C@H]3O1)C2 ZINC001159530214 1073222017 /nfs/dbraw/zinc/22/20/17/1073222017.db2.gz SOAGVDQOZJTPEL-JRBPQWBISA-N 2 2 433.553 -0.038 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C[C@H]1C[C@H]3C[NH2+]C[C@H]3O1)C2 ZINC001159530215 1073221919 /nfs/dbraw/zinc/22/19/19/1073221919.db2.gz SOAGVDQOZJTPEL-PNYFIKQUSA-N 2 2 433.553 -0.038 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cnc3n1CC[NH2+]CC3)C2 ZINC001159530264 1073221978 /nfs/dbraw/zinc/22/19/78/1073221978.db2.gz UDJIYBUMQDQEPL-KRWDZBQOSA-N 2 2 443.552 -0.149 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cnc3n1CC[NH2+]CC3)C2 ZINC001159530265 1073221945 /nfs/dbraw/zinc/22/19/45/1073221945.db2.gz UDJIYBUMQDQEPL-QGZVFWFLSA-N 2 2 443.552 -0.149 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cnn3c1C[NH2+]CC3)C2 ZINC001159530736 1073222062 /nfs/dbraw/zinc/22/20/62/1073222062.db2.gz XPTAPCDCZGKCHO-INIZCTEOSA-N 2 2 429.525 -0.192 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cnn3c1C[NH2+]CC3)C2 ZINC001159530737 1073221863 /nfs/dbraw/zinc/22/18/63/1073221863.db2.gz XPTAPCDCZGKCHO-MRXNPFEDSA-N 2 2 429.525 -0.192 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001159530905 1073221931 /nfs/dbraw/zinc/22/19/31/1073221931.db2.gz YVCSAUIBNLITFG-CVEARBPZSA-N 3 2 426.587 -0.786 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001159530906 1073221998 /nfs/dbraw/zinc/22/19/98/1073221998.db2.gz YVCSAUIBNLITFG-HOTGVXAUSA-N 3 2 426.587 -0.786 20 0 IBADLP C[NH2+][C@H]1CCCN(CC(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001159530907 1073221879 /nfs/dbraw/zinc/22/18/79/1073221879.db2.gz YVHXRPMYTDRHPR-MOPGFXCFSA-N 2 2 434.585 -0.122 20 0 IBADLP C[NH2+][C@H]1CCCN(CC(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001159530908 1073221988 /nfs/dbraw/zinc/22/19/88/1073221988.db2.gz YVHXRPMYTDRHPR-OALUTQOASA-N 2 2 434.585 -0.122 20 0 IBADLP C[NH2+][C@@H]1CCCN(CC(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001159530909 1073222032 /nfs/dbraw/zinc/22/20/32/1073222032.db2.gz YVHXRPMYTDRHPR-RBUKOAKNSA-N 2 2 434.585 -0.122 20 0 IBADLP C[NH2+][C@@H]1CCCN(CC(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001159530910 1073221901 /nfs/dbraw/zinc/22/19/01/1073221901.db2.gz YVHXRPMYTDRHPR-RTBURBONSA-N 2 2 434.585 -0.122 20 0 IBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534213 1073222393 /nfs/dbraw/zinc/22/23/93/1073222393.db2.gz NDBISUIFVAAGTA-BNDYYXHWSA-N 2 2 445.545 -0.094 20 0 IBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534214 1073222519 /nfs/dbraw/zinc/22/25/19/1073222519.db2.gz NDBISUIFVAAGTA-JKBKZWBZSA-N 2 2 445.545 -0.094 20 0 IBADLP O=C(N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159535089 1073222943 /nfs/dbraw/zinc/22/29/43/1073222943.db2.gz SABHQKCHROSDNS-AINOVGTFSA-N 2 2 446.573 -0.436 20 0 IBADLP O=C(N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159535092 1073222932 /nfs/dbraw/zinc/22/29/32/1073222932.db2.gz SABHQKCHROSDNS-DGYCAGFBSA-N 2 2 446.573 -0.436 20 0 IBADLP O=C(N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159535096 1073222982 /nfs/dbraw/zinc/22/29/82/1073222982.db2.gz SABHQKCHROSDNS-HIHICTBBSA-N 2 2 446.573 -0.436 20 0 IBADLP O=C(N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159535100 1073222970 /nfs/dbraw/zinc/22/29/70/1073222970.db2.gz SABHQKCHROSDNS-PIBZIWMISA-N 2 2 446.573 -0.436 20 0 IBADLP [NH3+]C1(C(=O)N2C[C@H]3C[C@H]4[C@@](CN(CCc5ccccc5)S4(=O)=O)(C2)O3)CC[NH2+]CC1 ZINC001159540521 1073222915 /nfs/dbraw/zinc/22/29/15/1073222915.db2.gz AUJJWFBTTUZZDQ-LQWHRVPQSA-N 2 2 434.562 -0.306 20 0 IBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159540618 1073222895 /nfs/dbraw/zinc/22/28/95/1073222895.db2.gz DDIQIMIHUMOISQ-NHHWGVFUSA-N 2 2 446.573 -0.437 20 0 IBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159594079 1073224265 /nfs/dbraw/zinc/22/42/65/1073224265.db2.gz KKYWICPHVOGKBV-LXZJYRNTSA-N 2 2 446.533 -0.731 20 0 IBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159594633 1073224331 /nfs/dbraw/zinc/22/43/31/1073224331.db2.gz OFMZBFPKCYPUTK-DFEOGRTESA-N 2 2 432.506 -0.741 20 0 IBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159594640 1073224320 /nfs/dbraw/zinc/22/43/20/1073224320.db2.gz OFMZBFPKCYPUTK-VXNCWWDNSA-N 2 2 432.506 -0.741 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3csc(N4CC[NH2+]CC4)n3)CC2)C1=O ZINC001159609135 1073226043 /nfs/dbraw/zinc/22/60/43/1073226043.db2.gz FXLZQBDXRXAVEK-UHFFFAOYSA-N 3 2 449.625 -0.137 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3csc(N4CC[NH2+]CC4)n3)CC2)C1=O ZINC001159609135 1073226040 /nfs/dbraw/zinc/22/60/40/1073226040.db2.gz FXLZQBDXRXAVEK-UHFFFAOYSA-N 3 2 449.625 -0.137 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCCN3[C@H]3CC[NH2+]C3)CC2)C1=O ZINC001159609136 1073226034 /nfs/dbraw/zinc/22/60/34/1073226034.db2.gz FXPPMYYJYUZTRI-PMACEKPBSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCCN3[C@H]3CC[NH2+]C3)CC2)C1=O ZINC001159609136 1073226033 /nfs/dbraw/zinc/22/60/33/1073226033.db2.gz FXPPMYYJYUZTRI-PMACEKPBSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCCN3[C@@H]3CC[NH2+]C3)CC2)C1=O ZINC001159609138 1073225884 /nfs/dbraw/zinc/22/58/84/1073225884.db2.gz FXPPMYYJYUZTRI-UXHICEINSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCCN3[C@@H]3CC[NH2+]C3)CC2)C1=O ZINC001159609138 1073225877 /nfs/dbraw/zinc/22/58/77/1073225877.db2.gz FXPPMYYJYUZTRI-UXHICEINSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCCCN3[C@H]3CC[NH2+]C3)CC2)C1=O ZINC001159609140 1073225868 /nfs/dbraw/zinc/22/58/68/1073225868.db2.gz FXPPMYYJYUZTRI-VQTJNVASSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCCCN3[C@H]3CC[NH2+]C3)CC2)C1=O ZINC001159609140 1073225861 /nfs/dbraw/zinc/22/58/61/1073225861.db2.gz FXPPMYYJYUZTRI-VQTJNVASSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCCCN3[C@@H]3CC[NH2+]C3)CC2)C1=O ZINC001159609142 1073226023 /nfs/dbraw/zinc/22/60/23/1073226023.db2.gz FXPPMYYJYUZTRI-WOJBJXKFSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCCCN3[C@@H]3CC[NH2+]C3)CC2)C1=O ZINC001159609142 1073226017 /nfs/dbraw/zinc/22/60/17/1073226017.db2.gz FXPPMYYJYUZTRI-WOJBJXKFSA-N 3 2 434.629 -0.100 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3CCN([C@H]4CC[NH2+]C4)CC3)CC2)C1=O ZINC001159609162 1073225978 /nfs/dbraw/zinc/22/59/78/1073225978.db2.gz GDXXVAXSMREVFI-FQEVSTJZSA-N 3 2 434.629 -0.243 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3CCN([C@H]4CC[NH2+]C4)CC3)CC2)C1=O ZINC001159609162 1073225974 /nfs/dbraw/zinc/22/59/74/1073225974.db2.gz GDXXVAXSMREVFI-FQEVSTJZSA-N 3 2 434.629 -0.243 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)C1=O ZINC001159609164 1073225896 /nfs/dbraw/zinc/22/58/96/1073225896.db2.gz GDXXVAXSMREVFI-HXUWFJFHSA-N 3 2 434.629 -0.243 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)C1=O ZINC001159609164 1073225892 /nfs/dbraw/zinc/22/58/92/1073225892.db2.gz GDXXVAXSMREVFI-HXUWFJFHSA-N 3 2 434.629 -0.243 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)CC2)C1=O ZINC001159609239 1073226496 /nfs/dbraw/zinc/22/64/96/1073226496.db2.gz HAVSCTZJTXYSBY-OALUTQOASA-N 3 2 448.612 -0.574 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)CC2)C1=O ZINC001159609239 1073226493 /nfs/dbraw/zinc/22/64/93/1073226493.db2.gz HAVSCTZJTXYSBY-OALUTQOASA-N 3 2 448.612 -0.574 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cccnc3N3CC[NH2+]CC3)CC2)C1=O ZINC001159610333 1073226505 /nfs/dbraw/zinc/22/65/05/1073226505.db2.gz ODHLSXQPSFPUPM-UHFFFAOYSA-N 3 2 443.596 -0.198 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cccnc3N3CC[NH2+]CC3)CC2)C1=O ZINC001159610333 1073226503 /nfs/dbraw/zinc/22/65/03/1073226503.db2.gz ODHLSXQPSFPUPM-UHFFFAOYSA-N 3 2 443.596 -0.198 20 0 IBADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159610549 1073226444 /nfs/dbraw/zinc/22/64/44/1073226444.db2.gz PTSZLNVKQCMECX-ROUUACIJSA-N 3 2 438.617 -0.439 20 0 IBADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159610549 1073226442 /nfs/dbraw/zinc/22/64/42/1073226442.db2.gz PTSZLNVKQCMECX-ROUUACIJSA-N 3 2 438.617 -0.439 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]([NH3+])Cc3ccc(C(N)=O)cc3)CC2)C1=O ZINC001159610890 1073226426 /nfs/dbraw/zinc/22/64/26/1073226426.db2.gz UHDQHCDFZGTYOV-IBGZPJMESA-N 3 2 444.580 -0.648 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]([NH3+])Cc3ccc(C(N)=O)cc3)CC2)C1=O ZINC001159610890 1073226422 /nfs/dbraw/zinc/22/64/22/1073226422.db2.gz UHDQHCDFZGTYOV-IBGZPJMESA-N 3 2 444.580 -0.648 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCCN([C@H]4CC[NH2+]C4)C3)CC2)C1=O ZINC001159610900 1073226456 /nfs/dbraw/zinc/22/64/56/1073226456.db2.gz USMDYTYXBQLPKW-PMACEKPBSA-N 3 2 434.629 -0.243 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCCN([C@H]4CC[NH2+]C4)C3)CC2)C1=O ZINC001159610900 1073226455 /nfs/dbraw/zinc/22/64/55/1073226455.db2.gz USMDYTYXBQLPKW-PMACEKPBSA-N 3 2 434.629 -0.243 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCN([C@H]4CC[NH2+]C4)C3)CC2)C1=O ZINC001159610902 1073226487 /nfs/dbraw/zinc/22/64/87/1073226487.db2.gz USMDYTYXBQLPKW-UXHICEINSA-N 3 2 434.629 -0.243 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCN([C@H]4CC[NH2+]C4)C3)CC2)C1=O ZINC001159610902 1073226484 /nfs/dbraw/zinc/22/64/84/1073226484.db2.gz USMDYTYXBQLPKW-UXHICEINSA-N 3 2 434.629 -0.243 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCCN([C@@H]4CC[NH2+]C4)C3)CC2)C1=O ZINC001159610904 1073226412 /nfs/dbraw/zinc/22/64/12/1073226412.db2.gz USMDYTYXBQLPKW-VQTJNVASSA-N 3 2 434.629 -0.243 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCCN([C@@H]4CC[NH2+]C4)C3)CC2)C1=O ZINC001159610904 1073226409 /nfs/dbraw/zinc/22/64/09/1073226409.db2.gz USMDYTYXBQLPKW-VQTJNVASSA-N 3 2 434.629 -0.243 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCN([C@@H]4CC[NH2+]C4)C3)CC2)C1=O ZINC001159610906 1073226362 /nfs/dbraw/zinc/22/63/62/1073226362.db2.gz USMDYTYXBQLPKW-WOJBJXKFSA-N 3 2 434.629 -0.243 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCN([C@@H]4CC[NH2+]C4)C3)CC2)C1=O ZINC001159610906 1073226356 /nfs/dbraw/zinc/22/63/56/1073226356.db2.gz USMDYTYXBQLPKW-WOJBJXKFSA-N 3 2 434.629 -0.243 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnc(N4CC[NH2+]CC4)cn3)CC2)C1=O ZINC001159610956 1073226341 /nfs/dbraw/zinc/22/63/41/1073226341.db2.gz VTPLHGRPSGZVHU-UHFFFAOYSA-N 3 2 444.584 -0.803 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnc(N4CC[NH2+]CC4)cn3)CC2)C1=O ZINC001159610956 1073226337 /nfs/dbraw/zinc/22/63/37/1073226337.db2.gz VTPLHGRPSGZVHU-UHFFFAOYSA-N 3 2 444.584 -0.803 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3([NH3+])CCC4(CC3)OCCO4)CC2)C1=O ZINC001159611324 1073226479 /nfs/dbraw/zinc/22/64/79/1073226479.db2.gz YVXZKAPUXSPJSR-UHFFFAOYSA-N 3 2 437.585 -0.302 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3([NH3+])CCC4(CC3)OCCO4)CC2)C1=O ZINC001159611324 1073226477 /nfs/dbraw/zinc/22/64/77/1073226477.db2.gz YVXZKAPUXSPJSR-UHFFFAOYSA-N 3 2 437.585 -0.302 20 0 IBADLP COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001159623164 1073227181 /nfs/dbraw/zinc/22/71/81/1073227181.db2.gz RWNMELYLYVADRK-FTRWYGJKSA-N 2 2 426.583 -0.240 20 0 IBADLP COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001159623165 1073227258 /nfs/dbraw/zinc/22/72/58/1073227258.db2.gz RWNMELYLYVADRK-GQIGUUNPSA-N 2 2 426.583 -0.240 20 0 IBADLP COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001159623166 1073227347 /nfs/dbraw/zinc/22/73/47/1073227347.db2.gz RWNMELYLYVADRK-GUXCAODWSA-N 2 2 426.583 -0.240 20 0 IBADLP COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001159623167 1073227271 /nfs/dbraw/zinc/22/72/71/1073227271.db2.gz RWNMELYLYVADRK-TWOQFEAHSA-N 2 2 426.583 -0.240 20 0 IBADLP COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001159623920 1073227795 /nfs/dbraw/zinc/22/77/95/1073227795.db2.gz XJIQSAWJUWUXGY-CIRFHOKZSA-N 2 2 426.583 -0.242 20 0 IBADLP COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001159623921 1073227729 /nfs/dbraw/zinc/22/77/29/1073227729.db2.gz XJIQSAWJUWUXGY-UOVPBQLFSA-N 2 2 426.583 -0.242 20 0 IBADLP O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159632860 1073227698 /nfs/dbraw/zinc/22/76/98/1073227698.db2.gz BLNFRIPYAXKXSP-UHFFFAOYSA-N 2 2 435.492 -0.266 20 0 IBADLP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cc1 ZINC001159633112 1073227671 /nfs/dbraw/zinc/22/76/71/1073227671.db2.gz FKFXEGQBPLBCPM-SFHVURJKSA-N 2 2 435.488 -0.111 20 0 IBADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633169 1073227632 /nfs/dbraw/zinc/22/76/32/1073227632.db2.gz HNAUHKWDEZUEQZ-IBGZPJMESA-N 2 2 449.515 -0.093 20 0 IBADLP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633361 1073227708 /nfs/dbraw/zinc/22/77/08/1073227708.db2.gz KCHWMLJPNDCEOI-ROUUACIJSA-N 2 2 439.520 -0.037 20 0 IBADLP O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159634279 1073227654 /nfs/dbraw/zinc/22/76/54/1073227654.db2.gz ALIHJVMYXDKAIV-KRWDZBQOSA-N 2 2 449.519 -0.237 20 0 IBADLP O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159634280 1073227756 /nfs/dbraw/zinc/22/77/56/1073227756.db2.gz ALIHJVMYXDKAIV-QGZVFWFLSA-N 2 2 449.519 -0.237 20 0 IBADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)COC1(C)C ZINC001159634331 1073227803 /nfs/dbraw/zinc/22/78/03/1073227803.db2.gz XHFKXCJBMNSDKC-HOCLYGCPSA-N 2 2 443.508 -0.469 20 0 IBADLP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159634421 1073228299 /nfs/dbraw/zinc/22/82/99/1073228299.db2.gz YMFQBDHFJAEIIK-IBGZPJMESA-N 2 2 449.515 -0.093 20 0 IBADLP C[N@H+]1C[C@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159635613 1073228056 /nfs/dbraw/zinc/22/80/56/1073228056.db2.gz PFYXLHDHGOMUJV-GOSISDBHSA-N 3 2 441.536 -0.327 20 0 IBADLP C[N@@H+]1C[C@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159635613 1073228042 /nfs/dbraw/zinc/22/80/42/1073228042.db2.gz PFYXLHDHGOMUJV-GOSISDBHSA-N 3 2 441.536 -0.327 20 0 IBADLP C[N@H+]1C[C@@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159635618 1073228161 /nfs/dbraw/zinc/22/81/61/1073228161.db2.gz PFYXLHDHGOMUJV-SFHVURJKSA-N 3 2 441.536 -0.327 20 0 IBADLP C[N@@H+]1C[C@@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)OC2(CC[NH2+]CC2)C1 ZINC001159635618 1073228156 /nfs/dbraw/zinc/22/81/56/1073228156.db2.gz PFYXLHDHGOMUJV-SFHVURJKSA-N 3 2 441.536 -0.327 20 0 IBADLP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159636633 1073228134 /nfs/dbraw/zinc/22/81/34/1073228134.db2.gz VXQULZMQDCFLGI-INIZCTEOSA-N 2 2 425.493 -0.664 20 0 IBADLP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159636634 1073228216 /nfs/dbraw/zinc/22/82/16/1073228216.db2.gz VXQULZMQDCFLGI-MRXNPFEDSA-N 2 2 425.493 -0.664 20 0 IBADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C2 ZINC001159642839 1073228634 /nfs/dbraw/zinc/22/86/34/1073228634.db2.gz HMZVCNLUXLCMJU-GHTZIAJQSA-N 2 2 425.493 -0.449 20 0 IBADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C2 ZINC001159642841 1073228679 /nfs/dbraw/zinc/22/86/79/1073228679.db2.gz HMZVCNLUXLCMJU-RXVVDRJESA-N 2 2 425.493 -0.449 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2)C(N)=O ZINC001159687870 1073230853 /nfs/dbraw/zinc/23/08/53/1073230853.db2.gz JKHYXLJZHHZDOX-JKSUJKDBSA-N 2 2 432.525 -0.623 20 0 IBADLP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001159756388 1073233504 /nfs/dbraw/zinc/23/35/04/1073233504.db2.gz BWTVPDKBGMVFOF-WSTZPKSXSA-N 2 2 427.615 -0.072 20 0 IBADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@H]4CCS(=O)(=O)C45C[NH2+]C5)C3)O2)CC1 ZINC001159758936 1073233893 /nfs/dbraw/zinc/23/38/93/1073233893.db2.gz VEWZKHSLHSBNRB-QWFCFKBJSA-N 2 2 440.610 -0.449 20 0 IBADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4CCS(=O)(=O)C45C[NH2+]C5)C3)O2)CC1 ZINC001159758937 1073233968 /nfs/dbraw/zinc/23/39/68/1073233968.db2.gz VEWZKHSLHSBNRB-WSTZPKSXSA-N 2 2 440.610 -0.449 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)CCC2)c1ccco1 ZINC001159790446 1073234445 /nfs/dbraw/zinc/23/44/45/1073234445.db2.gz DISXSSXQXYCTES-LHSJRXKWSA-N 2 2 426.477 -0.550 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)CCC2)c1ccco1 ZINC001159790447 1073234228 /nfs/dbraw/zinc/23/42/28/1073234228.db2.gz DISXSSXQXYCTES-QKKBWIMNSA-N 2 2 426.477 -0.550 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)CCC2)c1ccco1 ZINC001159790448 1073234548 /nfs/dbraw/zinc/23/45/48/1073234548.db2.gz DISXSSXQXYCTES-SPLOXXLWSA-N 2 2 426.477 -0.550 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)CCC2)c1ccco1 ZINC001159790449 1073234343 /nfs/dbraw/zinc/23/43/43/1073234343.db2.gz DISXSSXQXYCTES-SZNDQCEHSA-N 2 2 426.477 -0.550 20 0 IBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790568 1073234486 /nfs/dbraw/zinc/23/44/86/1073234486.db2.gz HKNPYKXJAOUAQP-HNNXBMFYSA-N 2 2 425.449 -0.208 20 0 IBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790569 1073234521 /nfs/dbraw/zinc/23/45/21/1073234521.db2.gz HKNPYKXJAOUAQP-OAHLLOKOSA-N 2 2 425.449 -0.208 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CCC2)c1ccco1 ZINC001159790667 1073234856 /nfs/dbraw/zinc/23/48/56/1073234856.db2.gz KNFSPOMJAHOSLI-CWRNSKLLSA-N 2 2 426.477 -0.552 20 0 IBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159791153 1073235394 /nfs/dbraw/zinc/23/53/94/1073235394.db2.gz UCLAGVGRDQIYPY-INIZCTEOSA-N 2 2 439.476 -0.198 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001159898812 1073237668 /nfs/dbraw/zinc/23/76/68/1073237668.db2.gz YOYURJSCTGOAJD-LIRRHRJNSA-N 2 2 442.520 -0.101 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001159898812 1073237662 /nfs/dbraw/zinc/23/76/62/1073237662.db2.gz YOYURJSCTGOAJD-LIRRHRJNSA-N 2 2 442.520 -0.101 20 0 IBADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001159997914 1073240455 /nfs/dbraw/zinc/24/04/55/1073240455.db2.gz CEMAPKAUWXTSIJ-FQEVSTJZSA-N 3 2 428.581 -0.270 20 0 IBADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001159997914 1073240450 /nfs/dbraw/zinc/24/04/50/1073240450.db2.gz CEMAPKAUWXTSIJ-FQEVSTJZSA-N 3 2 428.581 -0.270 20 0 IBADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001159997915 1073240378 /nfs/dbraw/zinc/24/03/78/1073240378.db2.gz CEMAPKAUWXTSIJ-HXUWFJFHSA-N 3 2 428.581 -0.270 20 0 IBADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001159997915 1073240370 /nfs/dbraw/zinc/24/03/70/1073240370.db2.gz CEMAPKAUWXTSIJ-HXUWFJFHSA-N 3 2 428.581 -0.270 20 0 IBADLP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001159999950 1073240281 /nfs/dbraw/zinc/24/02/81/1073240281.db2.gz VIPXSLCKRTYKLB-UHFFFAOYSA-N 2 2 437.566 -0.800 20 0 IBADLP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001159999950 1073240276 /nfs/dbraw/zinc/24/02/76/1073240276.db2.gz VIPXSLCKRTYKLB-UHFFFAOYSA-N 2 2 437.566 -0.800 20 0 IBADLP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001160034365 1073241653 /nfs/dbraw/zinc/24/16/53/1073241653.db2.gz BCYJRFVYSIBILT-YJBOKZPZSA-N 2 2 439.520 -0.159 20 0 IBADLP COc1cc2cc[nH+]c(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2cc1OC ZINC001160088445 1073245665 /nfs/dbraw/zinc/24/56/65/1073245665.db2.gz YQMTWFBSCZNPHV-KLICCBINSA-N 2 2 429.433 -0.036 20 0 IBADLP C[NH+]1CCC(Oc2cc[nH+]c(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2)CC1 ZINC001160092360 1073245830 /nfs/dbraw/zinc/24/58/30/1073245830.db2.gz DPDBHTMQQRVLGP-UTRMSSBJSA-N 3 2 432.481 -0.733 20 0 IBADLP c1ccc(N2CC[NH2+]CC2)c(CNc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC001160108038 1073247775 /nfs/dbraw/zinc/24/77/75/1073247775.db2.gz DDKIWVFZZYDUDM-UHFFFAOYSA-N 2 2 440.552 -0.012 20 0 IBADLP c1ccc(N2CC[NH2+]CC2)c(CNc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)c1 ZINC001160108038 1073247772 /nfs/dbraw/zinc/24/77/72/1073247772.db2.gz DDKIWVFZZYDUDM-UHFFFAOYSA-N 2 2 440.552 -0.012 20 0 IBADLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC[C@@H]3C2)cs1 ZINC001160336266 1073253774 /nfs/dbraw/zinc/25/37/74/1073253774.db2.gz YSVPMMJYFQCRGD-JSQNDZKTSA-N 2 2 425.555 -0.675 20 0 IBADLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC[C@@H]3C2)cs1 ZINC001160336266 1073253766 /nfs/dbraw/zinc/25/37/66/1073253766.db2.gz YSVPMMJYFQCRGD-JSQNDZKTSA-N 2 2 425.555 -0.675 20 0 IBADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001160381747 1073257400 /nfs/dbraw/zinc/25/74/00/1073257400.db2.gz ZBRLAGWNYHQLDA-HOTGVXAUSA-N 2 2 448.572 -0.695 20 0 IBADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001160381747 1073257396 /nfs/dbraw/zinc/25/73/96/1073257396.db2.gz ZBRLAGWNYHQLDA-HOTGVXAUSA-N 2 2 448.572 -0.695 20 0 IBADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001160382045 1073257458 /nfs/dbraw/zinc/25/74/58/1073257458.db2.gz IOTLBKXACVSXCJ-HNNXBMFYSA-N 2 2 428.545 -0.212 20 0 IBADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001160382045 1073257454 /nfs/dbraw/zinc/25/74/54/1073257454.db2.gz IOTLBKXACVSXCJ-HNNXBMFYSA-N 2 2 428.545 -0.212 20 0 IBADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001160382046 1073257368 /nfs/dbraw/zinc/25/73/68/1073257368.db2.gz IOTLBKXACVSXCJ-OAHLLOKOSA-N 2 2 428.545 -0.212 20 0 IBADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001160382046 1073257365 /nfs/dbraw/zinc/25/73/65/1073257365.db2.gz IOTLBKXACVSXCJ-OAHLLOKOSA-N 2 2 428.545 -0.212 20 0 IBADLP O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]21 ZINC001160401548 1073258734 /nfs/dbraw/zinc/25/87/34/1073258734.db2.gz SNDLCJKFRVKHPX-DUXQTRJFSA-N 2 2 427.549 -0.055 20 0 IBADLP O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]21 ZINC001160401549 1073258740 /nfs/dbraw/zinc/25/87/40/1073258740.db2.gz SNDLCJKFRVKHPX-MZSWFSNMSA-N 2 2 427.549 -0.055 20 0 IBADLP O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]21 ZINC001160401550 1073258755 /nfs/dbraw/zinc/25/87/55/1073258755.db2.gz SNDLCJKFRVKHPX-SZUGHSQMSA-N 2 2 427.549 -0.055 20 0 IBADLP O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]21 ZINC001160401551 1073258773 /nfs/dbraw/zinc/25/87/73/1073258773.db2.gz SNDLCJKFRVKHPX-UFWNDYSESA-N 2 2 427.549 -0.055 20 0 IBADLP O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]21 ZINC001160401735 1073259267 /nfs/dbraw/zinc/25/92/67/1073259267.db2.gz ZMSGCWVBXBKESC-NXMWLWCLSA-N 2 2 427.549 -0.056 20 0 IBADLP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)CC2 ZINC001160404225 1073259232 /nfs/dbraw/zinc/25/92/32/1073259232.db2.gz LGBNJVJEVXCVCI-INIZCTEOSA-N 2 2 425.497 -0.765 20 0 IBADLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160484181 1073263531 /nfs/dbraw/zinc/26/35/31/1073263531.db2.gz ZTWHRYVVTKFATK-SFTDATJTSA-N 2 2 441.532 -0.479 20 0 IBADLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160490437 1073263387 /nfs/dbraw/zinc/26/33/87/1073263387.db2.gz QLMBIBVHPPFRDQ-SFTDATJTSA-N 2 2 441.532 -0.479 20 0 IBADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160565984 1073264493 /nfs/dbraw/zinc/26/44/93/1073264493.db2.gz JOVPVJXPKUQJPM-YJBOKZPZSA-N 2 2 441.536 -0.339 20 0 IBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C(=O)NCC(N)=O ZINC001160630532 1073267034 /nfs/dbraw/zinc/26/70/34/1073267034.db2.gz COYFPAGCLGAREH-BZSNNMDCSA-N 2 2 446.552 -0.618 20 0 IBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C(=O)NCC(N)=O ZINC001160630533 1073266930 /nfs/dbraw/zinc/26/69/30/1073266930.db2.gz COYFPAGCLGAREH-SQNIBIBYSA-N 2 2 446.552 -0.618 20 0 IBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCc2[nH+]ccn2CC1)C(=O)CF ZINC001160759841 1073270296 /nfs/dbraw/zinc/27/02/96/1073270296.db2.gz AVAZSDWQJWSPJG-DEYYWGMASA-N 2 2 438.504 -0.831 20 0 IBADLP COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001160761786 1073270230 /nfs/dbraw/zinc/27/02/30/1073270230.db2.gz DJWCFVLLVCAPAM-BBRMVZONSA-N 2 2 448.520 -0.483 20 0 IBADLP Nc1ccc[nH+]c1N1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001160826080 1073271989 /nfs/dbraw/zinc/27/19/89/1073271989.db2.gz RKDHGHSGDFFNNJ-ROUUACIJSA-N 2 2 428.493 -0.935 20 0 IBADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160839527 1073272441 /nfs/dbraw/zinc/27/24/41/1073272441.db2.gz QENCOKPQKWEBED-INIZCTEOSA-N 2 2 433.557 -0.016 20 0 IBADLP CO[C@@H](C[NH+]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1)c1ccccc1 ZINC001160906639 1073273140 /nfs/dbraw/zinc/27/31/40/1073273140.db2.gz JNEYMXCFDAGYSG-IHPCNDPISA-N 2 2 445.564 -0.027 20 0 IBADLP CO[C@H](C[NH+]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1)c1ccccc1 ZINC001160906640 1073272957 /nfs/dbraw/zinc/27/29/57/1073272957.db2.gz JNEYMXCFDAGYSG-YSIASYRMSA-N 2 2 445.564 -0.027 20 0 IBADLP O=C([C@@H]1CC[NH2+]1)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993235 1073274927 /nfs/dbraw/zinc/27/49/27/1073274927.db2.gz NAVIDYAATORUSH-ULQDDVLXSA-N 2 2 449.506 -0.202 20 0 IBADLP C[C@@H]([NH3+])C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993577 1073275451 /nfs/dbraw/zinc/27/54/51/1073275451.db2.gz XGPRLNSPOAQOGU-PMPSAXMXSA-N 2 2 437.495 -0.217 20 0 IBADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117311 1073276863 /nfs/dbraw/zinc/27/68/63/1073276863.db2.gz GFTWIUBBXRKAMP-HRCADAONSA-N 2 2 426.468 -0.841 20 0 IBADLP O=C([C@H](CO)n1cc[nH+]c1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117312 1073276947 /nfs/dbraw/zinc/27/69/47/1073276947.db2.gz GFTWIUBBXRKAMP-JYJNAYRXSA-N 2 2 426.468 -0.841 20 0 IBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117351 1073276849 /nfs/dbraw/zinc/27/68/49/1073276849.db2.gz HPLKCCLXTGGDGB-JYJNAYRXSA-N 3 2 425.484 -0.978 20 0 IBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117352 1073276919 /nfs/dbraw/zinc/27/69/19/1073276919.db2.gz HPLKCCLXTGGDGB-XHSDSOJGSA-N 3 2 425.484 -0.978 20 0 IBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117679 1073276789 /nfs/dbraw/zinc/27/67/89/1073276789.db2.gz RDGCJYITILREOJ-ULQDDVLXSA-N 3 2 439.511 -0.968 20 0 IBADLP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3C[NH2+]CC(F)(F)C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118187 1073277312 /nfs/dbraw/zinc/27/73/12/1073277312.db2.gz ACUHXGYUKQZIQB-ILXRZTDVSA-N 2 2 435.466 -0.027 20 0 IBADLP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]CC(F)(F)C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118188 1073277259 /nfs/dbraw/zinc/27/72/59/1073277259.db2.gz ACUHXGYUKQZIQB-KKUMJFAQSA-N 2 2 435.466 -0.027 20 0 IBADLP O=C([C@@H]1C[C@H](N2CCN(C(=O)c3cnc4n3CC[NH2+]C4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161123452 1073278769 /nfs/dbraw/zinc/27/87/69/1073278769.db2.gz IWUKQNPYAQFDES-GJZGRUSLSA-N 2 2 437.495 -0.658 20 0 IBADLP O=C([C@@H]1C[C@H](N2CCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161124010 1073278797 /nfs/dbraw/zinc/27/87/97/1073278797.db2.gz MQYBDVUSRRULNG-BBRMVZONSA-N 2 2 437.495 -0.589 20 0 IBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]([NH3+])Cc2cn(S(=O)(=O)c3ccc(C)cc3)cn2)C1 ZINC001161138165 1073279291 /nfs/dbraw/zinc/27/92/91/1073279291.db2.gz OLIXRBVKXKKWFU-APWZRJJASA-N 2 2 435.506 -0.599 20 0 IBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]([NH3+])Cc2cn(S(=O)(=O)c3ccc(C)cc3)cn2)C1 ZINC001161138166 1073279263 /nfs/dbraw/zinc/27/92/63/1073279263.db2.gz OLIXRBVKXKKWFU-VQIMIIECSA-N 2 2 435.506 -0.599 20 0 IBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](CCCC[NH3+])NS(=O)(=O)c2ccc(C)cc2)C1 ZINC001161139267 1073279849 /nfs/dbraw/zinc/27/98/49/1073279849.db2.gz PQLNAAIRSDKQAX-LPHOPBHVSA-N 2 2 426.539 -0.126 20 0 IBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H](CCCC[NH3+])NS(=O)(=O)c2ccc(C)cc2)C1 ZINC001161139268 1073279711 /nfs/dbraw/zinc/27/97/11/1073279711.db2.gz PQLNAAIRSDKQAX-QFBILLFUSA-N 2 2 426.539 -0.126 20 0 IBADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001161146143 1073279922 /nfs/dbraw/zinc/27/99/22/1073279922.db2.gz NMKLWPWMFKTTIH-CGTJXYLNSA-N 2 2 447.536 -0.640 20 0 IBADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001161146143 1073279921 /nfs/dbraw/zinc/27/99/21/1073279921.db2.gz NMKLWPWMFKTTIH-CGTJXYLNSA-N 2 2 447.536 -0.640 20 0 IBADLP COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001161146144 1073280290 /nfs/dbraw/zinc/28/02/90/1073280290.db2.gz NMKLWPWMFKTTIH-RYQLBKOJSA-N 2 2 447.536 -0.640 20 0 IBADLP COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001161146144 1073280280 /nfs/dbraw/zinc/28/02/80/1073280280.db2.gz NMKLWPWMFKTTIH-RYQLBKOJSA-N 2 2 447.536 -0.640 20 0 IBADLP COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161146924 1073280257 /nfs/dbraw/zinc/28/02/57/1073280257.db2.gz TXTBEJPRPGGFIP-KRWDZBQOSA-N 2 2 426.539 -0.517 20 0 IBADLP COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161146924 1073280250 /nfs/dbraw/zinc/28/02/50/1073280250.db2.gz TXTBEJPRPGGFIP-KRWDZBQOSA-N 2 2 426.539 -0.517 20 0 IBADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161146925 1073280345 /nfs/dbraw/zinc/28/03/45/1073280345.db2.gz TXTBEJPRPGGFIP-QGZVFWFLSA-N 2 2 426.539 -0.517 20 0 IBADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161146925 1073280338 /nfs/dbraw/zinc/28/03/38/1073280338.db2.gz TXTBEJPRPGGFIP-QGZVFWFLSA-N 2 2 426.539 -0.517 20 0 IBADLP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)C3([NH3+])CC[NH2+]CC3)CC2)c2nonc21 ZINC001161153241 1073280783 /nfs/dbraw/zinc/28/07/83/1073280783.db2.gz DTMACSANGHJESD-UHFFFAOYSA-N 2 2 437.526 -0.797 20 0 IBADLP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)c2nonc21 ZINC001161153634 1073280748 /nfs/dbraw/zinc/28/07/48/1073280748.db2.gz MFFLHTAKTZYJON-CYBMUJFWSA-N 2 2 448.509 -0.585 20 0 IBADLP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)c2nonc21 ZINC001161153635 1073280819 /nfs/dbraw/zinc/28/08/19/1073280819.db2.gz MFFLHTAKTZYJON-ZDUSSCGKSA-N 2 2 448.509 -0.585 20 0 IBADLP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)CC2)c2nonc21 ZINC001161154056 1073281164 /nfs/dbraw/zinc/28/11/64/1073281164.db2.gz TYICTUANLLMWCZ-VPZZIHKRSA-N 2 2 449.537 -0.657 20 0 IBADLP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)CC2)c2nonc21 ZINC001161154075 1073281074 /nfs/dbraw/zinc/28/10/74/1073281074.db2.gz UKZCDDYCDCSFRT-MELADBBJSA-N 2 2 449.537 -0.928 20 0 IBADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198730 1073282453 /nfs/dbraw/zinc/28/24/53/1073282453.db2.gz VWTUMFNRHWEKHQ-IBGZPJMESA-N 3 2 441.617 -0.205 20 0 IBADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)COC1(C)C ZINC001161198829 1073282467 /nfs/dbraw/zinc/28/24/67/1073282467.db2.gz ZPFQYMOGXKHEGG-HKUYNNGSSA-N 3 2 439.601 -0.152 20 0 IBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001161237566 1073282811 /nfs/dbraw/zinc/28/28/11/1073282811.db2.gz MLLVGVWMGLYLRI-LUKYLMHMSA-N 2 2 439.557 -0.829 20 0 IBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001161237566 1073282806 /nfs/dbraw/zinc/28/28/06/1073282806.db2.gz MLLVGVWMGLYLRI-LUKYLMHMSA-N 2 2 439.557 -0.829 20 0 IBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001161237567 1073282899 /nfs/dbraw/zinc/28/28/99/1073282899.db2.gz MLLVGVWMGLYLRI-QAETUUGQSA-N 2 2 439.557 -0.829 20 0 IBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001161237567 1073282894 /nfs/dbraw/zinc/28/28/94/1073282894.db2.gz MLLVGVWMGLYLRI-QAETUUGQSA-N 2 2 439.557 -0.829 20 0 IBADLP COc1cc(N2CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)CC2)cc[nH+]1 ZINC001161306218 1073284758 /nfs/dbraw/zinc/28/47/58/1073284758.db2.gz HLUNBWOZKBIZAI-OALUTQOASA-N 2 2 443.504 -0.509 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161517514 1073290130 /nfs/dbraw/zinc/29/01/30/1073290130.db2.gz RQIHBLAKZMULOE-YOEHRIQHSA-N 2 2 435.500 -0.360 20 0 IBADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1 ZINC001161666373 1073290533 /nfs/dbraw/zinc/29/05/33/1073290533.db2.gz WIYMKAAKXSSUHO-QAQDUYKDSA-N 2 2 448.572 -0.632 20 0 IBADLP CCc1cc(-n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)nc(N2CCOCC2)[nH+]1 ZINC001162845318 1073300408 /nfs/dbraw/zinc/30/04/08/1073300408.db2.gz PHKLQDDWMQVGDV-IRXDYDNUSA-N 2 2 442.524 -0.593 20 0 IBADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1cc(N)nc[nH+]1)C(N)=O ZINC001162858604 1073301284 /nfs/dbraw/zinc/30/12/84/1073301284.db2.gz KGXUVBUCOOCIBN-ZQIUZPCESA-N 2 2 434.545 -0.415 20 0 IBADLP CS(=O)(=O)N1CCN(c2cccc(NCc3cc(=O)n4c(n3)C[NH2+]CCC4)[nH+]2)CC1 ZINC001163112502 1073302737 /nfs/dbraw/zinc/30/27/37/1073302737.db2.gz VRKMAWSEPRLYPY-UHFFFAOYSA-N 2 2 433.538 -0.175 20 0 IBADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cn1 ZINC001163411912 1073303770 /nfs/dbraw/zinc/30/37/70/1073303770.db2.gz KTLSAYCLFBKGFL-INIZCTEOSA-N 2 2 431.497 -0.232 20 0 IBADLP NC(=O)[C@H](Cc1cn(-c2cc(C[NH3+])ncn2)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001163427885 1073303599 /nfs/dbraw/zinc/30/35/99/1073303599.db2.gz NKSYXCZXRCVDQI-ROUUACIJSA-N 2 2 447.503 -0.315 20 0 IBADLP [NH3+]CCCC[C@H](Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)C(=O)N1CCCC1 ZINC001163454949 1073305354 /nfs/dbraw/zinc/30/53/54/1073305354.db2.gz BJZTUWOYFNONOM-KRWDZBQOSA-N 2 2 448.572 -0.501 20 0 IBADLP [NH3+]CCCC[C@H](Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)C(=O)N1CCCC1 ZINC001163454949 1073305349 /nfs/dbraw/zinc/30/53/49/1073305349.db2.gz BJZTUWOYFNONOM-KRWDZBQOSA-N 2 2 448.572 -0.501 20 0 IBADLP CCOC(=O)CC1([NH3+])CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001163527708 1073305675 /nfs/dbraw/zinc/30/56/75/1073305675.db2.gz FPDKQVOIFFTDSK-UHFFFAOYSA-N 2 2 435.529 -0.204 20 0 IBADLP CCOC(=O)CC1([NH3+])CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1 ZINC001163527708 1073305667 /nfs/dbraw/zinc/30/56/67/1073305667.db2.gz FPDKQVOIFFTDSK-UHFFFAOYSA-N 2 2 435.529 -0.204 20 0 IBADLP COCCN1CC[N@@H+](C)C2(CCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC2)C1=O ZINC001164639018 719279126 /nfs/dbraw/zinc/27/91/26/719279126.db2.gz GUKNBUZCLHHJOQ-UHFFFAOYSA-N 2 2 445.568 -0.324 20 0 IBADLP COCCN1CC[N@H+](C)C2(CCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC2)C1=O ZINC001164639018 719279121 /nfs/dbraw/zinc/27/91/21/719279121.db2.gz GUKNBUZCLHHJOQ-UHFFFAOYSA-N 2 2 445.568 -0.324 20 0 IBADLP COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC2)C1=O ZINC001164642211 719277322 /nfs/dbraw/zinc/27/73/22/719277322.db2.gz YRHYLNGNGIYZPB-UHFFFAOYSA-N 2 2 430.553 -0.114 20 0 IBADLP COCCN1CC[N@H+](C)C2(CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC2)C1=O ZINC001164642211 719277319 /nfs/dbraw/zinc/27/73/19/719277319.db2.gz YRHYLNGNGIYZPB-UHFFFAOYSA-N 2 2 430.553 -0.114 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164704793 719938935 /nfs/dbraw/zinc/93/89/35/719938935.db2.gz RZBNGWLORMULKG-UHFFFAOYSA-N 2 2 425.541 -0.430 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164704858 719933178 /nfs/dbraw/zinc/93/31/78/719933178.db2.gz VEUQTJJKCZBUOV-UHFFFAOYSA-N 2 2 439.568 -0.088 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C2)C1 ZINC001164720661 720278392 /nfs/dbraw/zinc/27/83/92/720278392.db2.gz BVZNNUIJLLNHPG-JOCHJYFZSA-N 2 2 445.568 -0.419 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C2)C1 ZINC001164720661 720278389 /nfs/dbraw/zinc/27/83/89/720278389.db2.gz BVZNNUIJLLNHPG-JOCHJYFZSA-N 2 2 445.568 -0.419 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C2)C1 ZINC001164720665 720279075 /nfs/dbraw/zinc/27/90/75/720279075.db2.gz BVZNNUIJLLNHPG-QFIPXVFZSA-N 2 2 445.568 -0.419 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C2)C1 ZINC001164720665 720279060 /nfs/dbraw/zinc/27/90/60/720279060.db2.gz BVZNNUIJLLNHPG-QFIPXVFZSA-N 2 2 445.568 -0.419 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001164721586 720265584 /nfs/dbraw/zinc/26/55/84/720265584.db2.gz LLFOATYPNWWIBH-JOCHJYFZSA-N 2 2 430.553 -0.208 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001164721586 720265575 /nfs/dbraw/zinc/26/55/75/720265575.db2.gz LLFOATYPNWWIBH-JOCHJYFZSA-N 2 2 430.553 -0.208 20 0 IBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001164721587 720264052 /nfs/dbraw/zinc/26/40/52/720264052.db2.gz LLFOATYPNWWIBH-QFIPXVFZSA-N 2 2 430.553 -0.208 20 0 IBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)N3CC[NH2+]CC3)C2)C1 ZINC001164721587 720264044 /nfs/dbraw/zinc/26/40/44/720264044.db2.gz LLFOATYPNWWIBH-QFIPXVFZSA-N 2 2 430.553 -0.208 20 0 IBADLP CS(=O)(=O)c1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n1)CC[NH2+]CC2 ZINC001164745100 720608705 /nfs/dbraw/zinc/60/87/05/720608705.db2.gz UKQCGROBDPZMME-CABCVRRESA-N 2 2 445.549 -0.300 20 0 IBADLP CS(=O)(=O)c1nc2c(c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n1)CC[NH2+]CC2 ZINC001164745100 720608693 /nfs/dbraw/zinc/60/86/93/720608693.db2.gz UKQCGROBDPZMME-CABCVRRESA-N 2 2 445.549 -0.300 20 0 IBADLP CS(=O)(=O)c1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n1)CC[NH2+]CC2 ZINC001164745646 720611099 /nfs/dbraw/zinc/61/10/99/720611099.db2.gz UKQCGROBDPZMME-GJZGRUSLSA-N 2 2 445.549 -0.300 20 0 IBADLP CS(=O)(=O)c1nc2c(c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n1)CC[NH2+]CC2 ZINC001164745646 720611068 /nfs/dbraw/zinc/61/10/68/720611068.db2.gz UKQCGROBDPZMME-GJZGRUSLSA-N 2 2 445.549 -0.300 20 0 IBADLP CS(=O)(=O)c1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n1)CC[NH2+]CC2 ZINC001164745647 720609441 /nfs/dbraw/zinc/60/94/41/720609441.db2.gz UKQCGROBDPZMME-HUUCEWRRSA-N 2 2 445.549 -0.300 20 0 IBADLP CS(=O)(=O)c1nc2c(c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n1)CC[NH2+]CC2 ZINC001164745647 720609424 /nfs/dbraw/zinc/60/94/24/720609424.db2.gz UKQCGROBDPZMME-HUUCEWRRSA-N 2 2 445.549 -0.300 20 0 IBADLP CS(=O)(=O)c1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n1)CC[NH2+]CC2 ZINC001164745648 720609810 /nfs/dbraw/zinc/60/98/10/720609810.db2.gz UKQCGROBDPZMME-LSDHHAIUSA-N 2 2 445.549 -0.300 20 0 IBADLP CS(=O)(=O)c1nc2c(c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n1)CC[NH2+]CC2 ZINC001164745648 720609800 /nfs/dbraw/zinc/60/98/00/720609800.db2.gz UKQCGROBDPZMME-LSDHHAIUSA-N 2 2 445.549 -0.300 20 0 IBADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(N3CCC[C@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164754892 720965999 /nfs/dbraw/zinc/96/59/99/720965999.db2.gz ZDAPHDOEUDTRKH-AWEZNQCLSA-N 2 2 428.497 -0.227 20 0 IBADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)CC2 ZINC001164754894 720966604 /nfs/dbraw/zinc/96/66/04/720966604.db2.gz ZDAPHDOEUDTRKH-CQSZACIVSA-N 2 2 428.497 -0.227 20 0 IBADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc4c(c(N5CCOCC5)n2)C[NH2+]C4)CC3)CC1 ZINC001164798989 721517853 /nfs/dbraw/zinc/51/78/53/721517853.db2.gz VOQPWVOFZOWHOM-UHFFFAOYSA-N 2 2 439.568 -0.120 20 0 IBADLP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001164927139 721851567 /nfs/dbraw/zinc/85/15/67/721851567.db2.gz JLUFPVOQOVUDLB-MSOLQXFVSA-N 2 2 432.573 -0.241 20 0 IBADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001164927142 721851776 /nfs/dbraw/zinc/85/17/76/721851776.db2.gz JLUFPVOQOVUDLB-QZTJIDSGSA-N 2 2 432.573 -0.241 20 0 IBADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001164927143 721851558 /nfs/dbraw/zinc/85/15/58/721851558.db2.gz JLUFPVOQOVUDLB-ROUUACIJSA-N 2 2 432.573 -0.241 20 0 IBADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001164927145 721851754 /nfs/dbraw/zinc/85/17/54/721851754.db2.gz JLUFPVOQOVUDLB-ZWKOTPCHSA-N 2 2 432.573 -0.241 20 0 IBADLP CN1CC[NH+](Cc2cc3nc(N4C[C@@H](O)[C@@H]([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165147086 1073308588 /nfs/dbraw/zinc/30/85/88/1073308588.db2.gz GQYJGHLMTZLVAM-DOTOQJQBSA-N 2 2 433.582 -0.217 20 0 IBADLP CN1CC[NH+](Cc2cc3nc(N4C[C@@H]([NH3+])[C@H](O)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165147090 1073308618 /nfs/dbraw/zinc/30/86/18/1073308618.db2.gz GQYJGHLMTZLVAM-NVXWUHKLSA-N 2 2 433.582 -0.217 20 0 IBADLP CN1CC[NH+](Cc2cc3nc(N4C[C@H]([NH3+])[C@@H](O)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165147096 1073308602 /nfs/dbraw/zinc/30/86/02/1073308602.db2.gz GQYJGHLMTZLVAM-RDJZCZTQSA-N 2 2 433.582 -0.217 20 0 IBADLP CN1CC[NH+](Cc2cc3nc(N4C[C@@H]([NH3+])[C@@H](O)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165147103 1073308570 /nfs/dbraw/zinc/30/85/70/1073308570.db2.gz GQYJGHLMTZLVAM-WBVHZDCISA-N 2 2 433.582 -0.217 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)C[NH2+]1 ZINC001165283638 1073309380 /nfs/dbraw/zinc/30/93/80/1073309380.db2.gz GJQCWZKFZPIALI-IZGGUCADSA-N 2 2 443.504 -0.061 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CCNC(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001165298350 1073309368 /nfs/dbraw/zinc/30/93/68/1073309368.db2.gz PYWDZOAJEIXSHJ-CJNGLKHVSA-N 2 2 442.476 -0.801 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC[NH2+]C[C@H]2C(=O)OC)C[NH2+]1 ZINC001165439030 1073309832 /nfs/dbraw/zinc/30/98/32/1073309832.db2.gz OERGKTVULWGHNM-COXVUDFISA-N 2 2 445.476 -0.128 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC[NH2+]C[C@@H]2C(=O)OC)C[NH2+]1 ZINC001165439031 1073309774 /nfs/dbraw/zinc/30/97/74/1073309774.db2.gz OERGKTVULWGHNM-XOKHGSTOSA-N 2 2 445.476 -0.128 20 0 IBADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001165501337 1073311129 /nfs/dbraw/zinc/31/11/29/1073311129.db2.gz ZHKHFTYEYPYDIN-UHFFFAOYSA-N 2 2 435.510 -0.484 20 0 IBADLP O=C(c1nn(-c2nc(N3CCOCC3)[nH+]c3c2CCN3)c2c1C[NH2+]C2)N1CCOCC1 ZINC001165857889 1073317798 /nfs/dbraw/zinc/31/77/98/1073317798.db2.gz UPMZATGMPPCDIQ-UHFFFAOYSA-N 2 2 426.481 -0.458 20 0 IBADLP CN(C)C(=O)CN1C[C@H]2CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)CC[C@H]2S1(=O)=O ZINC001166332759 1073320654 /nfs/dbraw/zinc/32/06/54/1073320654.db2.gz NPQHRKIGLVJCIT-SJLPKXTDSA-N 2 2 436.582 -0.190 20 0 IBADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001166490642 1073322930 /nfs/dbraw/zinc/32/29/30/1073322930.db2.gz LXYHUQGPJSLHMK-UHFFFAOYSA-N 2 2 436.524 -0.191 20 0 IBADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001166494011 1073323083 /nfs/dbraw/zinc/32/30/83/1073323083.db2.gz TUQXDETYGBGPES-UHFFFAOYSA-N 2 2 436.524 -0.191 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2C[C@H]([NH3+])C[C@H]2C(=O)OC)C[NH2+]1 ZINC001166964202 1073326024 /nfs/dbraw/zinc/32/60/24/1073326024.db2.gz ZWZJGHFBAPGWIJ-AQMVCYDESA-N 2 2 445.476 0.000 20 0 IBADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001168371579 1073553011 /nfs/dbraw/zinc/55/30/11/1073553011.db2.gz OSWQAZYGRXEDLP-YWZLYKJASA-N 2 2 445.564 -0.127 20 0 IBADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001169122818 1073595263 /nfs/dbraw/zinc/59/52/63/1073595263.db2.gz FFUADAPRJLTPKK-HXOKRWIQSA-N 2 2 431.537 -0.376 20 0 IBADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001169122818 1073595256 /nfs/dbraw/zinc/59/52/56/1073595256.db2.gz FFUADAPRJLTPKK-HXOKRWIQSA-N 2 2 431.537 -0.376 20 0 IBADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001169122819 1073595043 /nfs/dbraw/zinc/59/50/43/1073595043.db2.gz FFUADAPRJLTPKK-YGJKTCCFSA-N 2 2 431.537 -0.376 20 0 IBADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001169122819 1073595038 /nfs/dbraw/zinc/59/50/38/1073595038.db2.gz FFUADAPRJLTPKK-YGJKTCCFSA-N 2 2 431.537 -0.376 20 0 IBADLP CCOC(=O)c1c[nH+]c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1N(C)C ZINC001171261743 1074084938 /nfs/dbraw/zinc/08/49/38/1074084938.db2.gz QHMBNHVBMYSJPV-BASLNEPJSA-N 2 2 434.453 -0.963 20 0 IBADLP COC(=O)c1c[nH+]c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c2ccn(C)c21 ZINC001171262032 1074085394 /nfs/dbraw/zinc/08/53/94/1074085394.db2.gz FWGWZXFXRCEAFY-WBMRYOJMSA-N 2 2 430.421 -0.928 20 0 IBADLP COCOc1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1C=C[NH+](C)C ZINC001171263609 1074087406 /nfs/dbraw/zinc/08/74/06/1074087406.db2.gz SHVRFNKNLULBOC-XHHASPNUSA-N 2 2 448.480 -0.691 20 0 IBADLP [NH3+][C@H]1[C@H](n2ccc(Nc3c[nH+]c4cccc(Br)n34)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264458 1074088381 /nfs/dbraw/zinc/08/83/81/1074088381.db2.gz HCJOJYPDIXYDOW-VDKKZXSFSA-N 2 2 437.254 -0.191 20 0 IBADLP [NH3+][C@H]1[C@H](n2ccc(Nc3c[nH+]c4cc(Br)ccn34)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264590 1074088408 /nfs/dbraw/zinc/08/84/08/1074088408.db2.gz NIMPIKKFRPLYEH-SEWBAHNZSA-N 2 2 437.254 -0.191 20 0 IBADLP [NH3+][C@H]1[C@H](n2ccc(Nc3c[nH+]c4c(Br)cccn34)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264594 1074088253 /nfs/dbraw/zinc/08/82/53/1074088253.db2.gz NOSOHTBXLMFUTJ-QGMIFYJMSA-N 2 2 437.254 -0.191 20 0 IBADLP Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(C[NH+]2CCOCC2)c1 ZINC001171266768 1074089318 /nfs/dbraw/zinc/08/93/18/1074089318.db2.gz LJVAUHULYAQSRP-VBSBHUPXSA-N 2 2 431.493 -0.460 20 0 IBADLP [NH3+][C@H]1[C@H](n2ccc(Nc3c(Br)ccc4[nH+]ccn43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171267255 1074090517 /nfs/dbraw/zinc/09/05/17/1074090517.db2.gz VMLMUMOWLGQEHZ-QGMIFYJMSA-N 2 2 437.254 -0.191 20 0 IBADLP COCCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)CC1 ZINC001172249323 1074127467 /nfs/dbraw/zinc/12/74/67/1074127467.db2.gz JHZGBOWMAMGMKO-XPGWFJOJSA-N 2 2 436.553 -0.255 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[C@@H]1C(=O)OC ZINC001173573034 1074131380 /nfs/dbraw/zinc/13/13/80/1074131380.db2.gz PJRIWIUOFLQTGC-SLZITWOASA-N 2 2 435.481 -0.858 20 0 IBADLP COC(=O)[C@@H]1C[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[C@@H]1C(=O)OC ZINC001173573054 1074131613 /nfs/dbraw/zinc/13/16/13/1074131613.db2.gz PJRIWIUOFLQTGC-TXUJKZCJSA-N 2 2 435.481 -0.858 20 0 IBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001176354512 1074144782 /nfs/dbraw/zinc/14/47/82/1074144782.db2.gz DNWISWMWCJRMSI-IEBWSBKVSA-N 2 2 444.540 -0.176 20 0 IBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001176354512 1074144778 /nfs/dbraw/zinc/14/47/78/1074144778.db2.gz DNWISWMWCJRMSI-IEBWSBKVSA-N 2 2 444.540 -0.176 20 0 IBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001176354521 1074144604 /nfs/dbraw/zinc/14/46/04/1074144604.db2.gz DNWISWMWCJRMSI-MJGOQNOKSA-N 2 2 444.540 -0.176 20 0 IBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001176354521 1074144597 /nfs/dbraw/zinc/14/45/97/1074144597.db2.gz DNWISWMWCJRMSI-MJGOQNOKSA-N 2 2 444.540 -0.176 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCc4[nH]c(=O)[nH]c(=O)c4C3)CC2)C1=O ZINC001176619443 1074148332 /nfs/dbraw/zinc/14/83/32/1074148332.db2.gz CGFQFLFHEQWKFD-HNNXBMFYSA-N 2 2 446.552 -0.311 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCc4[nH]c(=O)[nH]c(=O)c4C3)CC2)C1=O ZINC001176619443 1074148331 /nfs/dbraw/zinc/14/83/31/1074148331.db2.gz CGFQFLFHEQWKFD-HNNXBMFYSA-N 2 2 446.552 -0.311 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCc4[nH]c(=O)[nH]c(=O)c4C3)CC2)C1=O ZINC001176619449 1074148385 /nfs/dbraw/zinc/14/83/85/1074148385.db2.gz CGFQFLFHEQWKFD-OAHLLOKOSA-N 2 2 446.552 -0.311 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCc4[nH]c(=O)[nH]c(=O)c4C3)CC2)C1=O ZINC001176619449 1074148382 /nfs/dbraw/zinc/14/83/82/1074148382.db2.gz CGFQFLFHEQWKFD-OAHLLOKOSA-N 2 2 446.552 -0.311 20 0 IBADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001176836480 1074153619 /nfs/dbraw/zinc/15/36/19/1074153619.db2.gz PVPCWKMXOBZCRL-BQFCYCMXSA-N 2 2 449.556 -0.817 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)C1=O ZINC001176863252 1074153722 /nfs/dbraw/zinc/15/37/22/1074153722.db2.gz RJXSUBVWGLQQNE-UHFFFAOYSA-N 2 2 440.552 -0.098 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)C1=O ZINC001176863252 1074153717 /nfs/dbraw/zinc/15/37/17/1074153717.db2.gz RJXSUBVWGLQQNE-UHFFFAOYSA-N 2 2 440.552 -0.098 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCC(=O)Nc3nncs3)CC2)C1=O ZINC001177447394 1074163166 /nfs/dbraw/zinc/16/31/66/1074163166.db2.gz RHKLNVOMYQYOPV-UHFFFAOYSA-N 2 2 437.570 -0.046 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCC(=O)Nc3nncs3)CC2)C1=O ZINC001177447394 1074163163 /nfs/dbraw/zinc/16/31/63/1074163163.db2.gz RHKLNVOMYQYOPV-UHFFFAOYSA-N 2 2 437.570 -0.046 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)C1=O ZINC001178763890 1074177644 /nfs/dbraw/zinc/17/76/44/1074177644.db2.gz LCUICCHUPCUEJY-UHFFFAOYSA-N 2 2 443.614 -0.645 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)C1=O ZINC001178763890 1074177638 /nfs/dbraw/zinc/17/76/38/1074177638.db2.gz LCUICCHUPCUEJY-UHFFFAOYSA-N 2 2 443.614 -0.645 20 0 IBADLP CC(C)[NH+]1CCN(CC(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CC1 ZINC001180345706 1074197119 /nfs/dbraw/zinc/19/71/19/1074197119.db2.gz SUZYYXRKTKHMST-UHFFFAOYSA-N 2 2 431.585 -0.282 20 0 IBADLP NC(=O)C1CC[NH+](CCC(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1 ZINC001180608809 1074203154 /nfs/dbraw/zinc/20/31/54/1074203154.db2.gz IRTKFGPEEPPMNQ-UHFFFAOYSA-N 2 2 427.509 -0.192 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)CC2 ZINC001180609726 1074203708 /nfs/dbraw/zinc/20/37/08/1074203708.db2.gz XCVRGNGSGIZCMA-UHFFFAOYSA-N 2 2 445.568 -0.720 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)C1=O ZINC001180609804 1074203665 /nfs/dbraw/zinc/20/36/65/1074203665.db2.gz YQBKXJNJMRMBIF-UHFFFAOYSA-N 3 2 436.601 -0.729 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)C1=O ZINC001180609804 1074203657 /nfs/dbraw/zinc/20/36/57/1074203657.db2.gz YQBKXJNJMRMBIF-UHFFFAOYSA-N 3 2 436.601 -0.729 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CC3CCS(=O)(=O)CC3)CC2)C1=O ZINC001181541134 1074214099 /nfs/dbraw/zinc/21/40/99/1074214099.db2.gz NZVNNOLORVSZTD-UHFFFAOYSA-N 2 2 428.599 -0.102 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CC3CCS(=O)(=O)CC3)CC2)C1=O ZINC001181541134 1074214095 /nfs/dbraw/zinc/21/40/95/1074214095.db2.gz NZVNNOLORVSZTD-UHFFFAOYSA-N 2 2 428.599 -0.102 20 0 IBADLP CC(=O)O[C@H]1CO[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)S1 ZINC001182205875 1074221689 /nfs/dbraw/zinc/22/16/89/1074221689.db2.gz CGKRZPUMHBWHDY-WBVHZDCISA-N 2 2 428.555 -0.338 20 0 IBADLP CC(=O)O[C@H]1CO[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)S1 ZINC001182205875 1074221687 /nfs/dbraw/zinc/22/16/87/1074221687.db2.gz CGKRZPUMHBWHDY-WBVHZDCISA-N 2 2 428.555 -0.338 20 0 IBADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCN2Cc2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001182544706 1074231824 /nfs/dbraw/zinc/23/18/24/1074231824.db2.gz NUJULVLDIZBHIL-AFXVXQJMSA-N 2 2 435.576 -0.108 20 0 IBADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCN2Cc2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001182544706 1074231816 /nfs/dbraw/zinc/23/18/16/1074231816.db2.gz NUJULVLDIZBHIL-AFXVXQJMSA-N 2 2 435.576 -0.108 20 0 IBADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCN2Cc2ccccc2)[C@@H]2NCN[C@H]21 ZINC001182544707 1074232269 /nfs/dbraw/zinc/23/22/69/1074232269.db2.gz NUJULVLDIZBHIL-GPJHCHHRSA-N 2 2 435.576 -0.108 20 0 IBADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCN2Cc2ccccc2)[C@@H]2NCN[C@H]21 ZINC001182544707 1074232265 /nfs/dbraw/zinc/23/22/65/1074232265.db2.gz NUJULVLDIZBHIL-GPJHCHHRSA-N 2 2 435.576 -0.108 20 0 IBADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCN2Cc2ccccc2)[C@H]2NCN[C@H]21 ZINC001182544708 1074232321 /nfs/dbraw/zinc/23/23/21/1074232321.db2.gz NUJULVLDIZBHIL-MYDTUXCISA-N 2 2 435.576 -0.108 20 0 IBADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCN2Cc2ccccc2)[C@H]2NCN[C@H]21 ZINC001182544708 1074232315 /nfs/dbraw/zinc/23/23/15/1074232315.db2.gz NUJULVLDIZBHIL-MYDTUXCISA-N 2 2 435.576 -0.108 20 0 IBADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCN2Cc2ccccc2)[C@H]2NCN[C@@H]21 ZINC001182544709 1074232409 /nfs/dbraw/zinc/23/24/09/1074232409.db2.gz NUJULVLDIZBHIL-WBADGQHESA-N 2 2 435.576 -0.108 20 0 IBADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCN2Cc2ccccc2)[C@H]2NCN[C@@H]21 ZINC001182544709 1074232399 /nfs/dbraw/zinc/23/23/99/1074232399.db2.gz NUJULVLDIZBHIL-WBADGQHESA-N 2 2 435.576 -0.108 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)C1=O ZINC001182629049 1074232611 /nfs/dbraw/zinc/23/26/11/1074232611.db2.gz WMWXVKZLNUDGMR-INIZCTEOSA-N 2 2 441.573 -0.431 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)C1=O ZINC001182629049 1074232601 /nfs/dbraw/zinc/23/26/01/1074232601.db2.gz WMWXVKZLNUDGMR-INIZCTEOSA-N 2 2 441.573 -0.431 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CNC(=O)c3ccc(O)cc3)CC2)C1=O ZINC001182970940 1074237242 /nfs/dbraw/zinc/23/72/42/1074237242.db2.gz DOXXKPSSHYNHCY-UHFFFAOYSA-N 2 2 431.537 -0.181 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CNC(=O)c3ccc(O)cc3)CC2)C1=O ZINC001182970940 1074237239 /nfs/dbraw/zinc/23/72/39/1074237239.db2.gz DOXXKPSSHYNHCY-UHFFFAOYSA-N 2 2 431.537 -0.181 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(OCC(N)=O)cc3)CC2)C1=O ZINC001186050951 1074282391 /nfs/dbraw/zinc/28/23/91/1074282391.db2.gz JOVAEMBWYIUFFR-UHFFFAOYSA-N 2 2 431.537 -0.139 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(OCC(N)=O)cc3)CC2)C1=O ZINC001186050951 1074282383 /nfs/dbraw/zinc/28/23/83/1074282383.db2.gz JOVAEMBWYIUFFR-UHFFFAOYSA-N 2 2 431.537 -0.139 20 0 IBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001186105722 1074282783 /nfs/dbraw/zinc/28/27/83/1074282783.db2.gz HSPKATKDZPQNKG-ROUUACIJSA-N 2 2 449.552 -0.310 20 0 IBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001186105722 1074282779 /nfs/dbraw/zinc/28/27/79/1074282779.db2.gz HSPKATKDZPQNKG-ROUUACIJSA-N 2 2 449.552 -0.310 20 0 IBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001186105723 1074283421 /nfs/dbraw/zinc/28/34/21/1074283421.db2.gz HSPKATKDZPQNKG-ZWKOTPCHSA-N 2 2 449.552 -0.310 20 0 IBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)C1 ZINC001186105723 1074283418 /nfs/dbraw/zinc/28/34/18/1074283418.db2.gz HSPKATKDZPQNKG-ZWKOTPCHSA-N 2 2 449.552 -0.310 20 0 IBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C1 ZINC001186106360 1074283621 /nfs/dbraw/zinc/28/36/21/1074283621.db2.gz MRTXTTIBVGNDSW-HNNXBMFYSA-N 2 2 432.525 -0.813 20 0 IBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C1 ZINC001186106360 1074283619 /nfs/dbraw/zinc/28/36/19/1074283619.db2.gz MRTXTTIBVGNDSW-HNNXBMFYSA-N 2 2 432.525 -0.813 20 0 IBADLP C[NH+]1CCN(CCCS(=O)(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001186688072 1074305169 /nfs/dbraw/zinc/30/51/69/1074305169.db2.gz JLDRXOJNNVSZNA-UHFFFAOYSA-N 2 2 429.631 -0.170 20 0 IBADLP CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001186718020 1074305941 /nfs/dbraw/zinc/30/59/41/1074305941.db2.gz VBGBVJLTMRIXAG-HZPDHXFCSA-N 2 2 439.557 -0.861 20 0 IBADLP CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001186718020 1074305937 /nfs/dbraw/zinc/30/59/37/1074305937.db2.gz VBGBVJLTMRIXAG-HZPDHXFCSA-N 2 2 439.557 -0.861 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)C1=O ZINC001186958998 1074307702 /nfs/dbraw/zinc/30/77/02/1074307702.db2.gz SCBBLEKFIOMUOH-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)C1=O ZINC001186958998 1074307695 /nfs/dbraw/zinc/30/76/95/1074307695.db2.gz SCBBLEKFIOMUOH-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)C1=O ZINC001189384523 1074323674 /nfs/dbraw/zinc/32/36/74/1074323674.db2.gz KRKIIPOPJDJAGP-UHFFFAOYSA-N 2 2 445.568 -0.376 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)C1=O ZINC001189384523 1074323668 /nfs/dbraw/zinc/32/36/68/1074323668.db2.gz KRKIIPOPJDJAGP-UHFFFAOYSA-N 2 2 445.568 -0.376 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cc(CN4CCOCC4)on3)CC2)C1=O ZINC001190202846 1074329624 /nfs/dbraw/zinc/32/96/24/1074329624.db2.gz JKVGCLGTUJHSOH-UHFFFAOYSA-N 2 2 448.568 -0.183 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cc(CN4CCOCC4)on3)CC2)C1=O ZINC001190202846 1074329616 /nfs/dbraw/zinc/32/96/16/1074329616.db2.gz JKVGCLGTUJHSOH-UHFFFAOYSA-N 2 2 448.568 -0.183 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cncc(N4CCOCC4)n3)CC2)C1=O ZINC001190764632 1074332694 /nfs/dbraw/zinc/33/26/94/1074332694.db2.gz MYQCVTPZKXOYNA-UHFFFAOYSA-N 2 2 445.568 -0.376 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cncc(N4CCOCC4)n3)CC2)C1=O ZINC001190764632 1074332686 /nfs/dbraw/zinc/33/26/86/1074332686.db2.gz MYQCVTPZKXOYNA-UHFFFAOYSA-N 2 2 445.568 -0.376 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(-n4cncn4)nc3)CC2)C1=O ZINC001193691166 1074351378 /nfs/dbraw/zinc/35/13/78/1074351378.db2.gz LTSKEJATEVQDEJ-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(-n4cncn4)nc3)CC2)C1=O ZINC001193691166 1074351372 /nfs/dbraw/zinc/35/13/72/1074351372.db2.gz LTSKEJATEVQDEJ-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP COCCn1cccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c1=O ZINC001194492278 1074357279 /nfs/dbraw/zinc/35/72/79/1074357279.db2.gz QRZLEMQTBZHBLS-UHFFFAOYSA-N 2 2 433.553 -0.195 20 0 IBADLP COCCn1cccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c1=O ZINC001194492278 1074357273 /nfs/dbraw/zinc/35/72/73/1074357273.db2.gz QRZLEMQTBZHBLS-UHFFFAOYSA-N 2 2 433.553 -0.195 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cn(-c4cnccn4)cn3)CC2)C1=O ZINC001194719896 1074360129 /nfs/dbraw/zinc/36/01/29/1074360129.db2.gz KZMMFUSOWHFGLV-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cn(-c4cnccn4)cn3)CC2)C1=O ZINC001194719896 1074360124 /nfs/dbraw/zinc/36/01/24/1074360124.db2.gz KZMMFUSOWHFGLV-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC001196545940 1074379713 /nfs/dbraw/zinc/37/97/13/1074379713.db2.gz VBOVMUORQVWSJS-UHFFFAOYSA-N 2 2 425.555 -0.911 20 0 IBADLP C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC001196545940 1074379706 /nfs/dbraw/zinc/37/97/06/1074379706.db2.gz VBOVMUORQVWSJS-UHFFFAOYSA-N 2 2 425.555 -0.911 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)CC2)C1=O ZINC001196707163 1074380156 /nfs/dbraw/zinc/38/01/56/1074380156.db2.gz BCEIGBIYUQCODV-UHFFFAOYSA-N 2 2 437.566 -0.205 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)CC2)C1=O ZINC001196707163 1074380144 /nfs/dbraw/zinc/38/01/44/1074380144.db2.gz BCEIGBIYUQCODV-UHFFFAOYSA-N 2 2 437.566 -0.205 20 0 IBADLP COCCn1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cnc1=O ZINC001197702886 1074387108 /nfs/dbraw/zinc/38/71/08/1074387108.db2.gz OXIHWRSBJGVPMB-UHFFFAOYSA-N 2 2 434.541 -0.800 20 0 IBADLP COCCn1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cnc1=O ZINC001197702886 1074387096 /nfs/dbraw/zinc/38/70/96/1074387096.db2.gz OXIHWRSBJGVPMB-UHFFFAOYSA-N 2 2 434.541 -0.800 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnc(=O)n(CC4CC4)c3)CC2)C1=O ZINC001197763363 1074387664 /nfs/dbraw/zinc/38/76/64/1074387664.db2.gz DEFJJMBWUUSWAM-UHFFFAOYSA-N 2 2 430.553 -0.036 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnc(=O)n(CC4CC4)c3)CC2)C1=O ZINC001197763363 1074387657 /nfs/dbraw/zinc/38/76/57/1074387657.db2.gz DEFJJMBWUUSWAM-UHFFFAOYSA-N 2 2 430.553 -0.036 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnn(-c4ncccn4)c3)CC2)C1=O ZINC001197829496 1074388652 /nfs/dbraw/zinc/38/86/52/1074388652.db2.gz JDWCXKNHLGNVKN-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnn(-c4ncccn4)c3)CC2)C1=O ZINC001197829496 1074388645 /nfs/dbraw/zinc/38/86/45/1074388645.db2.gz JDWCXKNHLGNVKN-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001198041358 1074390301 /nfs/dbraw/zinc/39/03/01/1074390301.db2.gz CAOAMZVXNWMNOI-RMJIQZSRSA-N 2 2 439.553 -0.356 20 0 IBADLP C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001198041358 1074390297 /nfs/dbraw/zinc/39/02/97/1074390297.db2.gz CAOAMZVXNWMNOI-RMJIQZSRSA-N 2 2 439.553 -0.356 20 0 IBADLP COCCn1c(=O)cccc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001198692498 1074394404 /nfs/dbraw/zinc/39/44/04/1074394404.db2.gz FEBBLOHIUJESKQ-UHFFFAOYSA-N 2 2 433.553 -0.195 20 0 IBADLP COCCn1c(=O)cccc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001198692498 1074394397 /nfs/dbraw/zinc/39/43/97/1074394397.db2.gz FEBBLOHIUJESKQ-UHFFFAOYSA-N 2 2 433.553 -0.195 20 0 IBADLP COCCn1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)ccc1=O ZINC001198828178 1074394956 /nfs/dbraw/zinc/39/49/56/1074394956.db2.gz DCDSPNTZHLPDER-UHFFFAOYSA-N 2 2 433.553 -0.195 20 0 IBADLP COCCn1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)ccc1=O ZINC001198828178 1074394949 /nfs/dbraw/zinc/39/49/49/1074394949.db2.gz DCDSPNTZHLPDER-UHFFFAOYSA-N 2 2 433.553 -0.195 20 0 IBADLP COCCOc1cnc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cn1 ZINC001199126858 1074397614 /nfs/dbraw/zinc/39/76/14/1074397614.db2.gz YDNWZRIPJKQROD-UHFFFAOYSA-N 2 2 434.541 -0.188 20 0 IBADLP COCCOc1cnc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cn1 ZINC001199126858 1074397604 /nfs/dbraw/zinc/39/76/04/1074397604.db2.gz YDNWZRIPJKQROD-UHFFFAOYSA-N 2 2 434.541 -0.188 20 0 IBADLP COCCOc1ccnc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001199192296 1074397857 /nfs/dbraw/zinc/39/78/57/1074397857.db2.gz MBALESYQBKFCDJ-UHFFFAOYSA-N 2 2 434.541 -0.188 20 0 IBADLP COCCOc1ccnc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001199192296 1074397850 /nfs/dbraw/zinc/39/78/50/1074397850.db2.gz MBALESYQBKFCDJ-UHFFFAOYSA-N 2 2 434.541 -0.188 20 0 IBADLP COCCOc1ncc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cn1 ZINC001199251102 1074398436 /nfs/dbraw/zinc/39/84/36/1074398436.db2.gz TWBGWASDWALFCG-UHFFFAOYSA-N 2 2 434.541 -0.188 20 0 IBADLP COCCOc1ncc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cn1 ZINC001199251102 1074398427 /nfs/dbraw/zinc/39/84/27/1074398427.db2.gz TWBGWASDWALFCG-UHFFFAOYSA-N 2 2 434.541 -0.188 20 0 IBADLP Cc1cn([C@H]2C[C@H](NC(=O)c3c[nH+]ccc3N3CC[NH+](C)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001199359522 1074399781 /nfs/dbraw/zinc/39/97/81/1074399781.db2.gz NYKFPUNSBJYVLA-CGTJXYLNSA-N 2 2 444.492 -0.517 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cn(-c4ncccn4)cn3)CC2)C1=O ZINC001199553003 1074401786 /nfs/dbraw/zinc/40/17/86/1074401786.db2.gz LYRSXBVLEZUMDV-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cn(-c4ncccn4)cn3)CC2)C1=O ZINC001199553003 1074401776 /nfs/dbraw/zinc/40/17/76/1074401776.db2.gz LYRSXBVLEZUMDV-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(C(=S)NCCC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC001199942789 1074405045 /nfs/dbraw/zinc/40/50/45/1074405045.db2.gz BIGIPAJJWUYTDN-QZTJIDSGSA-N 2 2 427.615 -0.306 20 0 IBADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(C(=S)NCCC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC001199942789 1074405042 /nfs/dbraw/zinc/40/50/42/1074405042.db2.gz BIGIPAJJWUYTDN-QZTJIDSGSA-N 2 2 427.615 -0.306 20 0 IBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=S)NCCN3CCOCC3)CC2)C1=O ZINC001200120466 1074336294 /nfs/dbraw/zinc/33/62/94/1074336294.db2.gz OZVOTDNHAVYMBL-UHFFFAOYSA-N 2 2 426.631 -0.637 20 0 IBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=S)NCCN3CCOCC3)CC2)C1=O ZINC001200120466 1074336288 /nfs/dbraw/zinc/33/62/88/1074336288.db2.gz OZVOTDNHAVYMBL-UHFFFAOYSA-N 2 2 426.631 -0.637 20 0 IBADLP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)O1 ZINC001209271637 1073331408 /nfs/dbraw/zinc/33/14/08/1073331408.db2.gz BTTBRIGWTBRZQA-HSALFYBXSA-N 2 2 439.557 -0.031 20 0 IBADLP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)O1 ZINC001209271637 1073331403 /nfs/dbraw/zinc/33/14/03/1073331403.db2.gz BTTBRIGWTBRZQA-HSALFYBXSA-N 2 2 439.557 -0.031 20 0 IBADLP C[NH+]1CCN(CCCS(=O)(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001209375578 1073334147 /nfs/dbraw/zinc/33/41/47/1073334147.db2.gz DCZSBMCPUAWFFO-UHFFFAOYSA-N 2 2 437.610 -0.112 20 0 IBADLP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](Cc3c[nH+]ccc3N)CC[C@@H]12 ZINC001209727861 1073334494 /nfs/dbraw/zinc/33/44/94/1073334494.db2.gz ZTJAHJWUSNHBFR-QUCCMNQESA-N 2 2 437.566 -0.031 20 0 IBADLP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](Cc3c[nH+]ccc3N)CC[C@@H]12 ZINC001209727861 1073334485 /nfs/dbraw/zinc/33/44/85/1073334485.db2.gz ZTJAHJWUSNHBFR-QUCCMNQESA-N 2 2 437.566 -0.031 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2cccc(C[NH+]3CCN(C)CC3)c2)no1)C(N)=O ZINC001211998669 1072953353 /nfs/dbraw/zinc/95/33/53/1072953353.db2.gz VWKWGRFKJRFENU-WMLDXEAASA-N 2 2 429.525 -0.266 20 0 IBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cc[nH+]c2c1CCC2)C(=O)CF ZINC001218622211 1073353108 /nfs/dbraw/zinc/35/31/08/1073353108.db2.gz YHCLTDRTXCHWOI-UVIMBBFXSA-N 2 2 435.500 -0.168 20 0 IBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)C1 ZINC001218778744 1073359298 /nfs/dbraw/zinc/35/92/98/1073359298.db2.gz JIPLUUKMNIJMDZ-AGIUHOORSA-N 2 2 426.905 -0.875 20 0 IBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)C1 ZINC001218778744 1073359291 /nfs/dbraw/zinc/35/92/91/1073359291.db2.gz JIPLUUKMNIJMDZ-AGIUHOORSA-N 2 2 426.905 -0.875 20 0 IBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)C1 ZINC001218778745 1073359251 /nfs/dbraw/zinc/35/92/51/1073359251.db2.gz JIPLUUKMNIJMDZ-AVGNSLFASA-N 2 2 426.905 -0.875 20 0 IBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)C1 ZINC001218778745 1073359244 /nfs/dbraw/zinc/35/92/44/1073359244.db2.gz JIPLUUKMNIJMDZ-AVGNSLFASA-N 2 2 426.905 -0.875 20 0 IBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)C1 ZINC001218778746 1073359284 /nfs/dbraw/zinc/35/92/84/1073359284.db2.gz JIPLUUKMNIJMDZ-FRRDWIJNSA-N 2 2 426.905 -0.875 20 0 IBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)C1 ZINC001218778746 1073359279 /nfs/dbraw/zinc/35/92/79/1073359279.db2.gz JIPLUUKMNIJMDZ-FRRDWIJNSA-N 2 2 426.905 -0.875 20 0 IBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)C1 ZINC001218778747 1073359272 /nfs/dbraw/zinc/35/92/72/1073359272.db2.gz JIPLUUKMNIJMDZ-RWMBFGLXSA-N 2 2 426.905 -0.875 20 0 IBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)C1 ZINC001218778747 1073359266 /nfs/dbraw/zinc/35/92/66/1073359266.db2.gz JIPLUUKMNIJMDZ-RWMBFGLXSA-N 2 2 426.905 -0.875 20 0 IBADLP COC(=O)[C@@H]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CC[NH2+]1 ZINC001218779471 1073359689 /nfs/dbraw/zinc/35/96/89/1073359689.db2.gz WLUDVQXDOWVOOY-FVCCEPFGSA-N 2 2 426.905 -0.829 20 0 IBADLP COC(=O)[C@@H]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CC[NH2+]1 ZINC001218779473 1073359771 /nfs/dbraw/zinc/35/97/71/1073359771.db2.gz WLUDVQXDOWVOOY-MROQNXINSA-N 2 2 426.905 -0.829 20 0 IBADLP COC(=O)[C@@H]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CC[NH2+]1 ZINC001218779475 1073359666 /nfs/dbraw/zinc/35/96/66/1073359666.db2.gz WLUDVQXDOWVOOY-NDBYEHHHSA-N 2 2 426.905 -0.829 20 0 IBADLP COC(=O)[C@@H]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CC[NH2+]1 ZINC001218779478 1073359736 /nfs/dbraw/zinc/35/97/36/1073359736.db2.gz WLUDVQXDOWVOOY-VOAKCMCISA-N 2 2 426.905 -0.829 20 0 IBADLP CCn1nnc2c1[C@H](C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O)C[NH2+]C2 ZINC001218781426 1073360414 /nfs/dbraw/zinc/36/04/14/1073360414.db2.gz SDHXCFQODFHFOE-DMDPSCGWSA-N 2 2 435.920 -0.872 20 0 IBADLP CCn1nnc2c1[C@H](C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O)C[NH2+]C2 ZINC001218781436 1073360395 /nfs/dbraw/zinc/36/03/95/1073360395.db2.gz SDHXCFQODFHFOE-LOWVWBTDSA-N 2 2 435.920 -0.872 20 0 IBADLP CCn1nnc2c1[C@H](C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O)C[NH2+]C2 ZINC001218781437 1073360463 /nfs/dbraw/zinc/36/04/63/1073360463.db2.gz SDHXCFQODFHFOE-NQBHXWOUSA-N 2 2 435.920 -0.872 20 0 IBADLP CCn1nnc2c1[C@H](C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O)C[NH2+]C2 ZINC001218781440 1073360904 /nfs/dbraw/zinc/36/09/04/1073360904.db2.gz SDHXCFQODFHFOE-WZRBSPASSA-N 2 2 435.920 -0.872 20 0 IBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218782537 1073360956 /nfs/dbraw/zinc/36/09/56/1073360956.db2.gz VFXJGOLSTSKDBM-BNOWGMLFSA-N 2 2 436.904 -0.900 20 0 IBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218782537 1073360950 /nfs/dbraw/zinc/36/09/50/1073360950.db2.gz VFXJGOLSTSKDBM-BNOWGMLFSA-N 2 2 436.904 -0.900 20 0 IBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218782539 1073360804 /nfs/dbraw/zinc/36/08/04/1073360804.db2.gz VFXJGOLSTSKDBM-IACUBPJLSA-N 2 2 436.904 -0.900 20 0 IBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218782539 1073360795 /nfs/dbraw/zinc/36/07/95/1073360795.db2.gz VFXJGOLSTSKDBM-IACUBPJLSA-N 2 2 436.904 -0.900 20 0 IBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218782544 1073360850 /nfs/dbraw/zinc/36/08/50/1073360850.db2.gz VFXJGOLSTSKDBM-MRVWCRGKSA-N 2 2 436.904 -0.900 20 0 IBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218782544 1073360841 /nfs/dbraw/zinc/36/08/41/1073360841.db2.gz VFXJGOLSTSKDBM-MRVWCRGKSA-N 2 2 436.904 -0.900 20 0 IBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218782548 1073361199 /nfs/dbraw/zinc/36/11/99/1073361199.db2.gz VFXJGOLSTSKDBM-YUTCNCBUSA-N 2 2 436.904 -0.900 20 0 IBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218782548 1073361194 /nfs/dbraw/zinc/36/11/94/1073361194.db2.gz VFXJGOLSTSKDBM-YUTCNCBUSA-N 2 2 436.904 -0.900 20 0 IBADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001218867742 1073364586 /nfs/dbraw/zinc/36/45/86/1073364586.db2.gz PNSGTKYSTBPOIV-YJBOKZPZSA-N 2 2 440.504 -0.193 20 0 IBADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cc1Cl ZINC001218876641 1073365939 /nfs/dbraw/zinc/36/59/39/1073365939.db2.gz KOOXSEKRRWORJO-LLVKDONJSA-N 2 2 447.926 -0.154 20 0 IBADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cc1Cl ZINC001218876644 1073366533 /nfs/dbraw/zinc/36/65/33/1073366533.db2.gz KOOXSEKRRWORJO-NSHDSACASA-N 2 2 447.926 -0.154 20 0 IBADLP COc1nccn(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218878377 1073367221 /nfs/dbraw/zinc/36/72/21/1073367221.db2.gz UCHCCDYXIAOOPQ-HNNXBMFYSA-N 2 2 431.478 -0.293 20 0 IBADLP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001218988615 1073370657 /nfs/dbraw/zinc/37/06/57/1073370657.db2.gz HYOHCCQYERBMGC-FQEVSTJZSA-N 3 2 431.585 -0.414 20 0 IBADLP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001218988622 1073370529 /nfs/dbraw/zinc/37/05/29/1073370529.db2.gz HYOHCCQYERBMGC-HXUWFJFHSA-N 3 2 431.585 -0.414 20 0 IBADLP CC(=O)NCSC[C@H]([NH3+])C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001218989769 1073370501 /nfs/dbraw/zinc/37/05/01/1073370501.db2.gz YICVPOBBEMTGAY-SFHVURJKSA-N 2 2 436.582 -0.011 20 0 IBADLP COc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)cc1OCCC[NH+]1CCN(C)CC1 ZINC001219314218 1073371488 /nfs/dbraw/zinc/37/14/88/1073371488.db2.gz AIBVUPFSXXEVGI-RDJZCZTQSA-N 2 2 437.541 -0.526 20 0 IBADLP COc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)cc1OCCCN1CC[NH+](C)CC1 ZINC001219314218 1073371479 /nfs/dbraw/zinc/37/14/79/1073371479.db2.gz AIBVUPFSXXEVGI-RDJZCZTQSA-N 2 2 437.541 -0.526 20 0 IBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219567317 1073372702 /nfs/dbraw/zinc/37/27/02/1073372702.db2.gz GCGPQPMVHMGZNJ-IBGZPJMESA-N 2 2 441.536 -0.049 20 0 IBADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219567318 1073372823 /nfs/dbraw/zinc/37/28/23/1073372823.db2.gz GCGPQPMVHMGZNJ-LJQANCHMSA-N 2 2 441.536 -0.049 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C(N)=O ZINC001219568101 1073373004 /nfs/dbraw/zinc/37/30/04/1073373004.db2.gz ZNYULLDTNKGLCN-MAUKXSAKSA-N 2 2 435.525 -0.889 20 0 IBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC001219634088 1073373782 /nfs/dbraw/zinc/37/37/82/1073373782.db2.gz NCJWZLDLKFDJSB-ICSRJNTNSA-N 2 2 428.537 -0.094 20 0 IBADLP CC(C)(OC(=O)[C@@H]([NH3+])CCC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC001219678115 1073374675 /nfs/dbraw/zinc/37/46/75/1073374675.db2.gz CWZRRRHFLHBJQZ-KRWDZBQOSA-N 2 2 440.566 -0.076 20 0 IBADLP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678249 1073375128 /nfs/dbraw/zinc/37/51/28/1073375128.db2.gz ILAPLXNZOLQYIJ-INIZCTEOSA-N 2 2 438.506 -0.890 20 0 IBADLP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC001219680422 1073375522 /nfs/dbraw/zinc/37/55/22/1073375522.db2.gz HNYSBEHXIPRMNV-KRWDZBQOSA-N 2 2 440.566 -0.137 20 0 IBADLP CC(C)(C)OC(=O)[C@H]([NH3+])Cc1ccc(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC001219680423 1073375546 /nfs/dbraw/zinc/37/55/46/1073375546.db2.gz HNYSBEHXIPRMNV-QGZVFWFLSA-N 2 2 440.566 -0.137 20 0 IBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219694225 1073376141 /nfs/dbraw/zinc/37/61/41/1073376141.db2.gz HFXUDHMUHSOZPD-BJLQDIEVSA-N 2 2 433.553 -0.740 20 0 IBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219694225 1073376133 /nfs/dbraw/zinc/37/61/33/1073376133.db2.gz HFXUDHMUHSOZPD-BJLQDIEVSA-N 2 2 433.553 -0.740 20 0 IBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219694226 1073375802 /nfs/dbraw/zinc/37/58/02/1073375802.db2.gz HFXUDHMUHSOZPD-HBFSDRIKSA-N 2 2 433.553 -0.740 20 0 IBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219694226 1073375793 /nfs/dbraw/zinc/37/57/93/1073375793.db2.gz HFXUDHMUHSOZPD-HBFSDRIKSA-N 2 2 433.553 -0.740 20 0 IBADLP CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)cn21 ZINC001219714172 1073375850 /nfs/dbraw/zinc/37/58/50/1073375850.db2.gz GQYINMSCNBMKQV-CEXWTWQISA-N 2 2 436.520 -0.325 20 0 IBADLP CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)cn21 ZINC001219714172 1073375842 /nfs/dbraw/zinc/37/58/42/1073375842.db2.gz GQYINMSCNBMKQV-CEXWTWQISA-N 2 2 436.520 -0.325 20 0 IBADLP CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)cn21 ZINC001219714173 1073376051 /nfs/dbraw/zinc/37/60/51/1073376051.db2.gz GQYINMSCNBMKQV-GUDVDZBRSA-N 2 2 436.520 -0.325 20 0 IBADLP CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)cn21 ZINC001219714173 1073376042 /nfs/dbraw/zinc/37/60/42/1073376042.db2.gz GQYINMSCNBMKQV-GUDVDZBRSA-N 2 2 436.520 -0.325 20 0 IBADLP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NC[C@H]3C[C@H]4C[NH2+]CCN4C3)c2)cc1 ZINC001219764922 1073377285 /nfs/dbraw/zinc/37/72/85/1073377285.db2.gz PIMPKEMGEQBHAQ-IMFGXOCKSA-N 2 2 446.577 -0.292 20 0 IBADLP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NC[C@H]3C[C@H]4CNCC[N@H+]4C3)c2)cc1 ZINC001219764922 1073377277 /nfs/dbraw/zinc/37/72/77/1073377277.db2.gz PIMPKEMGEQBHAQ-IMFGXOCKSA-N 2 2 446.577 -0.292 20 0 IBADLP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NC[C@H]3C[C@H]4CNCC[N@@H+]4C3)c2)cc1 ZINC001219764922 1073377268 /nfs/dbraw/zinc/37/72/68/1073377268.db2.gz PIMPKEMGEQBHAQ-IMFGXOCKSA-N 2 2 446.577 -0.292 20 0 IBADLP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806239 1073377788 /nfs/dbraw/zinc/37/77/88/1073377788.db2.gz OYKZSWCGLRDHNZ-QGZVFWFLSA-N 2 2 444.561 -0.270 20 0 IBADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219807650 1073377746 /nfs/dbraw/zinc/37/77/46/1073377746.db2.gz KJUGNCLDVVRYDY-HOTGVXAUSA-N 2 2 434.541 -0.514 20 0 IBADLP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219808091 1073378191 /nfs/dbraw/zinc/37/81/91/1073378191.db2.gz TZYRLGKRHMGMPI-SFHVURJKSA-N 2 2 437.504 -0.480 20 0 IBADLP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219808110 1073378317 /nfs/dbraw/zinc/37/83/17/1073378317.db2.gz UGGIXGSIJZGHCK-MOPGFXCFSA-N 2 2 438.532 -0.086 20 0 IBADLP Cc1c[nH]c(CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)[nH+]1 ZINC001219952356 1073381778 /nfs/dbraw/zinc/38/17/78/1073381778.db2.gz UHMGFYQQPGHESV-DCGLDWPTSA-N 2 2 426.493 -0.722 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])Cc2cn(S(=O)(=O)c3ccc(C)cc3)cn2)C[NH2+]1 ZINC001219965260 1073382455 /nfs/dbraw/zinc/38/24/55/1073382455.db2.gz GCYFSTXYTZRKIQ-XYPHTWIQSA-N 2 2 435.506 -0.682 20 0 IBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)c2ccc(C)cc2)C[NH2+]1 ZINC001219968296 1073382467 /nfs/dbraw/zinc/38/24/67/1073382467.db2.gz YZADOCGZKDWQAR-PVAVHDDUSA-N 2 2 426.539 -0.209 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCCSCc1csc(C[NH+](C)C)n1)C(N)=O ZINC001220128478 1073385174 /nfs/dbraw/zinc/38/51/74/1073385174.db2.gz GNHKMNBEPOSSOS-WCQYABFASA-N 2 2 430.600 -0.348 20 0 IBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197707 1073385966 /nfs/dbraw/zinc/38/59/66/1073385966.db2.gz PAPZWKIAFYHBNR-BZSNNMDCSA-N 2 2 437.585 -0.164 20 0 IBADLP CCOC(=O)[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220281814 1073387673 /nfs/dbraw/zinc/38/76/73/1073387673.db2.gz AETJCKSEXJHLNH-JNNRSPCRSA-N 2 2 425.507 -0.877 20 0 IBADLP CCOC(=O)[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220281815 1073387549 /nfs/dbraw/zinc/38/75/49/1073387549.db2.gz AETJCKSEXJHLNH-NQUFMGSDSA-N 2 2 425.507 -0.877 20 0 IBADLP CCOC(=O)[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220281816 1073387559 /nfs/dbraw/zinc/38/75/59/1073387559.db2.gz AETJCKSEXJHLNH-RGPZOAQRSA-N 2 2 425.507 -0.877 20 0 IBADLP CCOC(=O)[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220281817 1073387628 /nfs/dbraw/zinc/38/76/28/1073387628.db2.gz AETJCKSEXJHLNH-YBKUAAOGSA-N 2 2 425.507 -0.877 20 0 IBADLP CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283017 1073388115 /nfs/dbraw/zinc/38/81/15/1073388115.db2.gz QPEVRRGHPDWXTM-RDDKANTKSA-N 2 2 425.507 -0.879 20 0 IBADLP CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283164 1073388137 /nfs/dbraw/zinc/38/81/37/1073388137.db2.gz UJVKRHDJSGXBJM-BBWFWOEESA-N 2 2 438.506 -0.525 20 0 IBADLP CCOC(=O)[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284169 1073388424 /nfs/dbraw/zinc/38/84/24/1073388424.db2.gz IJYVOEBNMRBRBE-RMWBKXBUSA-N 2 2 425.507 -0.607 20 0 IBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1CC[NH+](CCF)CC1)C(=O)CF ZINC001220435169 1073391425 /nfs/dbraw/zinc/39/14/25/1073391425.db2.gz BHAXDXLPQWHKNY-YEWWUXTCSA-N 2 2 447.527 -0.562 20 0 IBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220435231 1073391458 /nfs/dbraw/zinc/39/14/58/1073391458.db2.gz DMQYXEVZSKIKNU-GOSISDBHSA-N 2 2 425.555 -0.926 20 0 IBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220435232 1073391521 /nfs/dbraw/zinc/39/15/21/1073391521.db2.gz DMQYXEVZSKIKNU-SFHVURJKSA-N 2 2 425.555 -0.926 20 0 IBADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)[C@H](O)OC(C)(C)C)C1 ZINC001220505855 1073393379 /nfs/dbraw/zinc/39/33/79/1073393379.db2.gz JAORDMMNZZXCJB-IEOZYHAZSA-N 3 2 426.562 -0.425 20 0 IBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)[C@H](O)OC(C)(C)C)C1 ZINC001220505856 1073393454 /nfs/dbraw/zinc/39/34/54/1073393454.db2.gz JAORDMMNZZXCJB-IUCWBUGQSA-N 3 2 426.562 -0.425 20 0 IBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)[C@H](O)OC(C)(C)C)C1 ZINC001220505857 1073393845 /nfs/dbraw/zinc/39/38/45/1073393845.db2.gz JAORDMMNZZXCJB-JWTUNDGGSA-N 3 2 426.562 -0.425 20 0 IBADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505858 1073393959 /nfs/dbraw/zinc/39/39/59/1073393959.db2.gz JAORDMMNZZXCJB-LNKPAYBBSA-N 3 2 426.562 -0.425 20 0 IBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505859 1073394008 /nfs/dbraw/zinc/39/40/08/1073394008.db2.gz JAORDMMNZZXCJB-QLONAOMFSA-N 3 2 426.562 -0.425 20 0 IBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505860 1073394073 /nfs/dbraw/zinc/39/40/73/1073394073.db2.gz JAORDMMNZZXCJB-TVEHDNJASA-N 3 2 426.562 -0.425 20 0 IBADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[NH2+]C2CC[NH2+]CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220505862 1073394033 /nfs/dbraw/zinc/39/40/33/1073394033.db2.gz JCONATZUAGEAPI-ABWNYZJXSA-N 4 2 429.606 -0.376 20 0 IBADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[NH2+]C2CC[NH2+]CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505863 1073393982 /nfs/dbraw/zinc/39/39/82/1073393982.db2.gz JCONATZUAGEAPI-CBOSDZJASA-N 4 2 429.606 -0.376 20 0 IBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[NH2+]C2CC[NH2+]CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505864 1073393915 /nfs/dbraw/zinc/39/39/15/1073393915.db2.gz JCONATZUAGEAPI-LPXKSRHMSA-N 4 2 429.606 -0.376 20 0 IBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[NH2+]C2CC[NH2+]CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220505865 1073394105 /nfs/dbraw/zinc/39/41/05/1073394105.db2.gz JCONATZUAGEAPI-MBKANNOKSA-N 4 2 429.606 -0.376 20 0 IBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507081 1073395004 /nfs/dbraw/zinc/39/50/04/1073395004.db2.gz RYJTXEAVARWDKI-AYVQPJNESA-N 4 2 440.589 -0.415 20 0 IBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507082 1073395199 /nfs/dbraw/zinc/39/51/99/1073395199.db2.gz RYJTXEAVARWDKI-FAAMRNMBSA-N 4 2 440.589 -0.415 20 0 IBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507083 1073395172 /nfs/dbraw/zinc/39/51/72/1073395172.db2.gz RYJTXEAVARWDKI-HJZQSHLLSA-N 4 2 440.589 -0.415 20 0 IBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507084 1073395151 /nfs/dbraw/zinc/39/51/51/1073395151.db2.gz RYJTXEAVARWDKI-VIEQHGRHSA-N 4 2 440.589 -0.415 20 0 IBADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507179 1073395644 /nfs/dbraw/zinc/39/56/44/1073395644.db2.gz TWSVZWHBMBXFIC-FAEUKAQKSA-N 4 2 427.590 -0.496 20 0 IBADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@H](O)OC(C)(C)C)C1 ZINC001220507180 1073395777 /nfs/dbraw/zinc/39/57/77/1073395777.db2.gz TWSVZWHBMBXFIC-KYRFFOQWSA-N 4 2 427.590 -0.496 20 0 IBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507181 1073395742 /nfs/dbraw/zinc/39/57/42/1073395742.db2.gz TWSVZWHBMBXFIC-OSRKFRNWSA-N 4 2 427.590 -0.496 20 0 IBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@H](O)OC(C)(C)C)C1 ZINC001220507182 1073395569 /nfs/dbraw/zinc/39/55/69/1073395569.db2.gz TWSVZWHBMBXFIC-YSWCHZLZSA-N 4 2 427.590 -0.496 20 0 IBADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CC[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220507475 1073396194 /nfs/dbraw/zinc/39/61/94/1073396194.db2.gz YUZQWBPVCGUMLP-DQWLROJASA-N 3 2 438.573 -0.105 20 0 IBADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CC[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507476 1073396491 /nfs/dbraw/zinc/39/64/91/1073396491.db2.gz YUZQWBPVCGUMLP-DUUCEYBISA-N 3 2 438.573 -0.105 20 0 IBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CC[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220507477 1073396280 /nfs/dbraw/zinc/39/62/80/1073396280.db2.gz YUZQWBPVCGUMLP-KBVRGVHISA-N 3 2 438.573 -0.105 20 0 IBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cnc3n2CC[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507478 1073396254 /nfs/dbraw/zinc/39/62/54/1073396254.db2.gz YUZQWBPVCGUMLP-RNULLNAKSA-N 3 2 438.573 -0.105 20 0 IBADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H](N)C[NH3+])nc2C(N)=O)[nH+]c1C ZINC001220564783 1073400285 /nfs/dbraw/zinc/40/02/85/1073400285.db2.gz FVXHLPFVBZXJDX-SOUVJXGZSA-N 3 2 441.540 -0.166 20 0 IBADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H](O)C[NH3+])nc2C(N)=O)[nH+]c1C ZINC001220565006 1073400327 /nfs/dbraw/zinc/40/03/27/1073400327.db2.gz IJXNBBLVUBDNRR-LZWOXQAQSA-N 3 2 442.524 -0.132 20 0 IBADLP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NCC[NH+]3CC4(COC4)C3)c2)cc1 ZINC001220571349 1073400343 /nfs/dbraw/zinc/40/03/43/1073400343.db2.gz PCYAYESTGDAIBY-GOSISDBHSA-N 2 2 433.534 -0.253 20 0 IBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001220724398 1073402401 /nfs/dbraw/zinc/40/24/01/1073402401.db2.gz GEWHBDUXQMWAMH-OWSLCNJRSA-N 2 2 425.574 -0.308 20 0 IBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001220724398 1073402397 /nfs/dbraw/zinc/40/23/97/1073402397.db2.gz GEWHBDUXQMWAMH-OWSLCNJRSA-N 2 2 425.574 -0.308 20 0 IBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001220724399 1073402316 /nfs/dbraw/zinc/40/23/16/1073402316.db2.gz GEWHBDUXQMWAMH-XSLAGTTESA-N 2 2 425.574 -0.308 20 0 IBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001220724399 1073402304 /nfs/dbraw/zinc/40/23/04/1073402304.db2.gz GEWHBDUXQMWAMH-XSLAGTTESA-N 2 2 425.574 -0.308 20 0 IBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001220725625 1073402388 /nfs/dbraw/zinc/40/23/88/1073402388.db2.gz VVPJCEMXYQUIEY-CUWPLCDZSA-N 2 2 447.580 -0.350 20 0 IBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001220725625 1073402386 /nfs/dbraw/zinc/40/23/86/1073402386.db2.gz VVPJCEMXYQUIEY-CUWPLCDZSA-N 2 2 447.580 -0.350 20 0 IBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001220725626 1073402369 /nfs/dbraw/zinc/40/23/69/1073402369.db2.gz VVPJCEMXYQUIEY-LMNJBCLMSA-N 2 2 447.580 -0.350 20 0 IBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001220725626 1073402364 /nfs/dbraw/zinc/40/23/64/1073402364.db2.gz VVPJCEMXYQUIEY-LMNJBCLMSA-N 2 2 447.580 -0.350 20 0 IBADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c2nonc21 ZINC001220745913 1073403156 /nfs/dbraw/zinc/40/31/56/1073403156.db2.gz GRVGQEMEOGOWKJ-LBPRGKRZSA-N 3 2 436.498 -0.932 20 0 IBADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cnc3n2CC[NH2+]C3)c2nonc21 ZINC001220748121 1073403739 /nfs/dbraw/zinc/40/37/39/1073403739.db2.gz FQRXYEWOPIDPQX-UHFFFAOYSA-N 2 2 434.482 -0.622 20 0 IBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001220771804 1073406218 /nfs/dbraw/zinc/40/62/18/1073406218.db2.gz DMZXARQXQUHVPG-IAGOWNOFSA-N 2 2 433.534 -0.003 20 0 IBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001220771805 1073406111 /nfs/dbraw/zinc/40/61/11/1073406111.db2.gz DMZXARQXQUHVPG-SJORKVTESA-N 2 2 433.534 -0.003 20 0 IBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CCSC ZINC001220772878 1073406789 /nfs/dbraw/zinc/40/67/89/1073406789.db2.gz UHAFWFBWALGGBG-KKUMJFAQSA-N 2 2 445.611 -0.061 20 0 IBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CCSC ZINC001220772879 1073406759 /nfs/dbraw/zinc/40/67/59/1073406759.db2.gz UHAFWFBWALGGBG-SOUVJXGZSA-N 2 2 445.611 -0.061 20 0 IBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001220772892 1073406693 /nfs/dbraw/zinc/40/66/93/1073406693.db2.gz UTSCTHJZXILANR-ROUUACIJSA-N 2 2 426.477 -0.212 20 0 IBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001220772893 1073406659 /nfs/dbraw/zinc/40/66/59/1073406659.db2.gz UTSCTHJZXILANR-ZWKOTPCHSA-N 2 2 426.477 -0.212 20 0 IBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001220773005 1073406702 /nfs/dbraw/zinc/40/67/02/1073406702.db2.gz YBPQLCNORUWWNM-GOSISDBHSA-N 2 2 449.533 -0.036 20 0 IBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001220773006 1073406639 /nfs/dbraw/zinc/40/66/39/1073406639.db2.gz YBPQLCNORUWWNM-SFHVURJKSA-N 2 2 449.533 -0.036 20 0 IBADLP CCOC(=O)C1(NC(=O)[C@H]([NH3+])Cc2cn(S(=O)(=O)c3ccc(C)cc3)cn2)C[NH2+]C1 ZINC001220849250 1073408289 /nfs/dbraw/zinc/40/82/89/1073408289.db2.gz XDRPTKWKABNOQG-MRXNPFEDSA-N 2 2 435.506 -0.680 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001220918994 1073411198 /nfs/dbraw/zinc/41/11/98/1073411198.db2.gz NXHFREMLKACFEW-CQDKDKBSSA-N 2 2 440.342 -0.153 20 0 IBADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001220918994 1073411193 /nfs/dbraw/zinc/41/11/93/1073411193.db2.gz NXHFREMLKACFEW-CQDKDKBSSA-N 2 2 440.342 -0.153 20 0 IBADLP CCC(CC)[C@@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068251 1073415257 /nfs/dbraw/zinc/41/52/57/1073415257.db2.gz VBXBZUHBSCLEIS-DOQFWFFUSA-N 2 2 437.541 -0.125 20 0 IBADLP CCC(CC)[C@@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068251 1073415253 /nfs/dbraw/zinc/41/52/53/1073415253.db2.gz VBXBZUHBSCLEIS-DOQFWFFUSA-N 2 2 437.541 -0.125 20 0 IBADLP CCC(CC)[C@@H](NC(=O)[C@H]1C[NH2+]Cc2nnn(CC)c21)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068504 1073415430 /nfs/dbraw/zinc/41/54/30/1073415430.db2.gz ZBIUSWRYPUDWBC-LLLUYQIQSA-N 2 2 436.557 -0.097 20 0 IBADLP CCC(CC)[C@@H](NC(=O)[C@@H]1C[NH2+]Cc2nnn(CC)c21)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068506 1073415282 /nfs/dbraw/zinc/41/52/82/1073415282.db2.gz ZBIUSWRYPUDWBC-ZQLWZKNSSA-N 2 2 436.557 -0.097 20 0 IBADLP CCC(CC)[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C(=O)OC)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070166 1073415319 /nfs/dbraw/zinc/41/53/19/1073415319.db2.gz ICFOKHQJSPWNOZ-BYVXCNNLSA-N 2 2 427.542 -0.054 20 0 IBADLP CCC(CC)[C@@H](NC(=O)[C@@H]1CC[NH2+][C@H](C(=O)OC)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070167 1073415399 /nfs/dbraw/zinc/41/53/99/1073415399.db2.gz ICFOKHQJSPWNOZ-LSIGDULCSA-N 2 2 427.542 -0.054 20 0 IBADLP CCC(CC)[C@@H](NC(=O)[C@@H]1CC[NH2+][C@@H](C(=O)OC)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070168 1073415233 /nfs/dbraw/zinc/41/52/33/1073415233.db2.gz ICFOKHQJSPWNOZ-QZAWYWHASA-N 2 2 427.542 -0.054 20 0 IBADLP CCC(CC)[C@@H](NC(=O)[C@H]1CC[NH2+][C@H](C(=O)OC)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070169 1073415340 /nfs/dbraw/zinc/41/53/40/1073415340.db2.gz ICFOKHQJSPWNOZ-ZQBXRDLCSA-N 2 2 427.542 -0.054 20 0 IBADLP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)S(=O)(=O)c1ccc(C)cc1 ZINC001221086759 1073416064 /nfs/dbraw/zinc/41/60/64/1073416064.db2.gz GKBRKDLOPGCGMV-PVAVHDDUSA-N 3 2 426.539 -0.128 20 0 IBADLP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)S(=O)(=O)c1ccc(C)cc1 ZINC001221086760 1073416135 /nfs/dbraw/zinc/41/61/35/1073416135.db2.gz GKBRKDLOPGCGMV-XIRDDKMYSA-N 3 2 426.539 -0.128 20 0 IBADLP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])S(=O)(=O)c1ccc(C)cc1 ZINC001221087135 1073416800 /nfs/dbraw/zinc/41/68/00/1073416800.db2.gz SXHDUJOTOYZAPK-ULQDDVLXSA-N 3 2 426.539 -0.270 20 0 IBADLP CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001221259112 1073422325 /nfs/dbraw/zinc/42/23/25/1073422325.db2.gz VCFAFJQUQUQXNE-GOSISDBHSA-N 2 2 446.589 -0.365 20 0 IBADLP CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001221259113 1073422272 /nfs/dbraw/zinc/42/22/72/1073422272.db2.gz VCFAFJQUQUQXNE-SFHVURJKSA-N 2 2 446.589 -0.365 20 0 IBADLP COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001221337813 1073423613 /nfs/dbraw/zinc/42/36/13/1073423613.db2.gz RHUVKPPLAKIFQV-BZSNNMDCSA-N 2 2 427.590 -0.028 20 0 IBADLP COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001221337820 1073423777 /nfs/dbraw/zinc/42/37/77/1073423777.db2.gz RHUVKPPLAKIFQV-SQNIBIBYSA-N 2 2 427.590 -0.028 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001221347658 1073424781 /nfs/dbraw/zinc/42/47/81/1073424781.db2.gz BAPJKSVPOWDRQC-IOFRSVQKSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001221347658 1073424777 /nfs/dbraw/zinc/42/47/77/1073424777.db2.gz BAPJKSVPOWDRQC-IOFRSVQKSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001221347662 1073424584 /nfs/dbraw/zinc/42/45/84/1073424584.db2.gz BAPJKSVPOWDRQC-MEOSDYHSSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001221347662 1073424578 /nfs/dbraw/zinc/42/45/78/1073424578.db2.gz BAPJKSVPOWDRQC-MEOSDYHSSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001221347663 1073424340 /nfs/dbraw/zinc/42/43/40/1073424340.db2.gz BAPJKSVPOWDRQC-PCPGWFQFSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001221347663 1073424334 /nfs/dbraw/zinc/42/43/34/1073424334.db2.gz BAPJKSVPOWDRQC-PCPGWFQFSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001221347665 1073424275 /nfs/dbraw/zinc/42/42/75/1073424275.db2.gz BAPJKSVPOWDRQC-WFNJMBFTSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001221347665 1073424265 /nfs/dbraw/zinc/42/42/65/1073424265.db2.gz BAPJKSVPOWDRQC-WFNJMBFTSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001221347729 1073424695 /nfs/dbraw/zinc/42/46/95/1073424695.db2.gz BVUKDPPOELFKIF-OWSLCNJRSA-N 2 2 431.541 -0.870 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001221347729 1073424689 /nfs/dbraw/zinc/42/46/89/1073424689.db2.gz BVUKDPPOELFKIF-OWSLCNJRSA-N 2 2 431.541 -0.870 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001221347730 1073424204 /nfs/dbraw/zinc/42/42/04/1073424204.db2.gz BVUKDPPOELFKIF-VSZNYVQBSA-N 2 2 431.541 -0.870 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001221347730 1073424197 /nfs/dbraw/zinc/42/41/97/1073424197.db2.gz BVUKDPPOELFKIF-VSZNYVQBSA-N 2 2 431.541 -0.870 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001221347731 1073424474 /nfs/dbraw/zinc/42/44/74/1073424474.db2.gz BVUKDPPOELFKIF-XLAORIBOSA-N 2 2 431.541 -0.870 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001221347731 1073424463 /nfs/dbraw/zinc/42/44/63/1073424463.db2.gz BVUKDPPOELFKIF-XLAORIBOSA-N 2 2 431.541 -0.870 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001221347732 1073424514 /nfs/dbraw/zinc/42/45/14/1073424514.db2.gz BVUKDPPOELFKIF-XSLAGTTESA-N 2 2 431.541 -0.870 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001221347732 1073424508 /nfs/dbraw/zinc/42/45/08/1073424508.db2.gz BVUKDPPOELFKIF-XSLAGTTESA-N 2 2 431.541 -0.870 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC001221347911 1073425534 /nfs/dbraw/zinc/42/55/34/1073425534.db2.gz DYOSWLAARONBSS-VJANTYMQSA-N 2 2 448.568 -0.038 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC001221347911 1073425530 /nfs/dbraw/zinc/42/55/30/1073425530.db2.gz DYOSWLAARONBSS-VJANTYMQSA-N 2 2 448.568 -0.038 20 0 IBADLP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348369 1073425519 /nfs/dbraw/zinc/42/55/19/1073425519.db2.gz ILKKKRTWRWEIIX-ILXRZTDVSA-N 2 2 436.513 -0.638 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001221348446 1073425424 /nfs/dbraw/zinc/42/54/24/1073425424.db2.gz JPEPKKLLOFLEIE-IOFRSVQKSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001221348446 1073425422 /nfs/dbraw/zinc/42/54/22/1073425422.db2.gz JPEPKKLLOFLEIE-IOFRSVQKSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001221348447 1073425506 /nfs/dbraw/zinc/42/55/06/1073425506.db2.gz JPEPKKLLOFLEIE-MEOSDYHSSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001221348447 1073425503 /nfs/dbraw/zinc/42/55/03/1073425503.db2.gz JPEPKKLLOFLEIE-MEOSDYHSSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001221348449 1073425486 /nfs/dbraw/zinc/42/54/86/1073425486.db2.gz JPEPKKLLOFLEIE-PCPGWFQFSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001221348449 1073425481 /nfs/dbraw/zinc/42/54/81/1073425481.db2.gz JPEPKKLLOFLEIE-PCPGWFQFSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001221348451 1073425473 /nfs/dbraw/zinc/42/54/73/1073425473.db2.gz JPEPKKLLOFLEIE-WFNJMBFTSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001221348451 1073425469 /nfs/dbraw/zinc/42/54/69/1073425469.db2.gz JPEPKKLLOFLEIE-WFNJMBFTSA-N 2 2 432.525 -0.538 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1 ZINC001221348501 1073425362 /nfs/dbraw/zinc/42/53/62/1073425362.db2.gz KMSNPEZSKQIEBX-VJANTYMQSA-N 2 2 440.504 -0.277 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1 ZINC001221348501 1073425359 /nfs/dbraw/zinc/42/53/59/1073425359.db2.gz KMSNPEZSKQIEBX-VJANTYMQSA-N 2 2 440.504 -0.277 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001221348511 1073425453 /nfs/dbraw/zinc/42/54/53/1073425453.db2.gz KOWJPLMUTXJBGW-PVAVHDDUSA-N 2 2 441.492 -0.637 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001221348511 1073425448 /nfs/dbraw/zinc/42/54/48/1073425448.db2.gz KOWJPLMUTXJBGW-PVAVHDDUSA-N 2 2 441.492 -0.637 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001221348512 1073425389 /nfs/dbraw/zinc/42/53/89/1073425389.db2.gz KOWJPLMUTXJBGW-XIRDDKMYSA-N 2 2 441.492 -0.637 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001221348512 1073425385 /nfs/dbraw/zinc/42/53/85/1073425385.db2.gz KOWJPLMUTXJBGW-XIRDDKMYSA-N 2 2 441.492 -0.637 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001221348808 1073425343 /nfs/dbraw/zinc/42/53/43/1073425343.db2.gz NDUQGPVQNMERKS-ULQDDVLXSA-N 2 2 448.524 -0.826 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001221348808 1073425340 /nfs/dbraw/zinc/42/53/40/1073425340.db2.gz NDUQGPVQNMERKS-ULQDDVLXSA-N 2 2 448.524 -0.826 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001221348809 1073425307 /nfs/dbraw/zinc/42/53/07/1073425307.db2.gz NDUQGPVQNMERKS-YESZJQIVSA-N 2 2 448.524 -0.826 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001221348809 1073425306 /nfs/dbraw/zinc/42/53/06/1073425306.db2.gz NDUQGPVQNMERKS-YESZJQIVSA-N 2 2 448.524 -0.826 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001221348864 1073426207 /nfs/dbraw/zinc/42/62/07/1073426207.db2.gz OXOFYVXWHNTCNI-VJANTYMQSA-N 2 2 442.520 -0.766 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001221348864 1073426199 /nfs/dbraw/zinc/42/61/99/1073426199.db2.gz OXOFYVXWHNTCNI-VJANTYMQSA-N 2 2 442.520 -0.766 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001221348923 1073425874 /nfs/dbraw/zinc/42/58/74/1073425874.db2.gz QNDIOGQKDYMNSU-ZFWWWQNUSA-N 2 2 446.537 -0.907 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001221348923 1073425864 /nfs/dbraw/zinc/42/58/64/1073425864.db2.gz QNDIOGQKDYMNSU-ZFWWWQNUSA-N 2 2 446.537 -0.907 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC001221348937 1073426049 /nfs/dbraw/zinc/42/60/49/1073426049.db2.gz QYQKRESCOLYLMG-OALUTQOASA-N 2 2 439.520 -0.363 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC001221348937 1073426041 /nfs/dbraw/zinc/42/60/41/1073426041.db2.gz QYQKRESCOLYLMG-OALUTQOASA-N 2 2 439.520 -0.363 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001221349142 1073426291 /nfs/dbraw/zinc/42/62/91/1073426291.db2.gz RPZWXQFSHZUERT-JLSDUUJJSA-N 2 2 427.509 -0.476 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001221349142 1073426282 /nfs/dbraw/zinc/42/62/82/1073426282.db2.gz RPZWXQFSHZUERT-JLSDUUJJSA-N 2 2 427.509 -0.476 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H]1C[NH2+]Cc2cccn2C1 ZINC001221349143 1073425923 /nfs/dbraw/zinc/42/59/23/1073425923.db2.gz RPZWXQFSHZUERT-WBAXXEDZSA-N 2 2 427.509 -0.476 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H]1C[NH2+]Cc2cccn2C1 ZINC001221349143 1073425913 /nfs/dbraw/zinc/42/59/13/1073425913.db2.gz RPZWXQFSHZUERT-WBAXXEDZSA-N 2 2 427.509 -0.476 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001221349201 1073426073 /nfs/dbraw/zinc/42/60/73/1073426073.db2.gz TUAFPXNBIYNTJB-OWSLCNJRSA-N 2 2 425.493 -0.341 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001221349201 1073426067 /nfs/dbraw/zinc/42/60/67/1073426067.db2.gz TUAFPXNBIYNTJB-OWSLCNJRSA-N 2 2 425.493 -0.341 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CCOCc1ccccc1 ZINC001221349223 1073426314 /nfs/dbraw/zinc/42/63/14/1073426314.db2.gz UFXXQAPMQGDYQK-FHWLQOOXSA-N 2 2 442.520 -0.153 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccnc1N1CC[NH2+]CC1 ZINC001221349329 1073426018 /nfs/dbraw/zinc/42/60/18/1073426018.db2.gz VPJFWGRFRVOVNM-IRXDYDNUSA-N 2 2 440.508 -0.968 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccnc1N1CC[NH2+]CC1 ZINC001221349329 1073426011 /nfs/dbraw/zinc/42/60/11/1073426011.db2.gz VPJFWGRFRVOVNM-IRXDYDNUSA-N 2 2 440.508 -0.968 20 0 IBADLP COc1ccc([C@@H]([NH3+])CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001221349335 1073426360 /nfs/dbraw/zinc/42/63/60/1073426360.db2.gz VSBSOBWWODVHGD-JYJNAYRXSA-N 2 2 429.481 -0.593 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H]([NH3+])COCc1ccccc1 ZINC001221349632 1073426231 /nfs/dbraw/zinc/42/62/31/1073426231.db2.gz ZZOGCVCMZCGADK-NEWSRXKRSA-N 2 2 442.520 -0.153 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H]([NH3+])COCc1ccccc1 ZINC001221349632 1073426225 /nfs/dbraw/zinc/42/62/25/1073426225.db2.gz ZZOGCVCMZCGADK-NEWSRXKRSA-N 2 2 442.520 -0.153 20 0 IBADLP Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CCCCNC(=O)[C@@H]([NH3+])Cc3nn[nH]n3)ccc12 ZINC001221351676 1073426890 /nfs/dbraw/zinc/42/68/90/1073426890.db2.gz RHAVIZXHNXENEC-GJZGRUSLSA-N 2 2 442.480 -0.263 20 0 IBADLP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001221356675 1073426828 /nfs/dbraw/zinc/42/68/28/1073426828.db2.gz BNWVXIYWNDGCMO-FHWLQOOXSA-N 2 2 436.553 -0.398 20 0 IBADLP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001221356676 1073426847 /nfs/dbraw/zinc/42/68/47/1073426847.db2.gz BNWVXIYWNDGCMO-GBESFXJTSA-N 2 2 436.553 -0.398 20 0 IBADLP Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)CN1CC[NH2+]CC1=O ZINC001221383383 1073428981 /nfs/dbraw/zinc/42/89/81/1073428981.db2.gz MDIOAMYRQUKKLG-UHFFFAOYSA-N 2 2 427.527 -0.098 20 0 IBADLP C[NH+](C)CCN1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC001221554625 1073430256 /nfs/dbraw/zinc/43/02/56/1073430256.db2.gz CZWVBMJJTRGELD-UHFFFAOYSA-N 2 2 431.541 -0.464 20 0 IBADLP COC(=O)[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+](C)C1 ZINC001221554958 1073430180 /nfs/dbraw/zinc/43/01/80/1073430180.db2.gz PEHXSIDBZXSVHT-KRWDZBQOSA-N 2 2 432.525 -0.134 20 0 IBADLP COC(=O)[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+](C)C1 ZINC001221554958 1073430176 /nfs/dbraw/zinc/43/01/76/1073430176.db2.gz PEHXSIDBZXSVHT-KRWDZBQOSA-N 2 2 432.525 -0.134 20 0 IBADLP COC(=O)[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+](C)C1 ZINC001221554959 1073430219 /nfs/dbraw/zinc/43/02/19/1073430219.db2.gz PEHXSIDBZXSVHT-QGZVFWFLSA-N 2 2 432.525 -0.134 20 0 IBADLP COC(=O)[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+](C)C1 ZINC001221554959 1073430215 /nfs/dbraw/zinc/43/02/15/1073430215.db2.gz PEHXSIDBZXSVHT-QGZVFWFLSA-N 2 2 432.525 -0.134 20 0 IBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001221555060 1073430277 /nfs/dbraw/zinc/43/02/77/1073430277.db2.gz TXLZQYWZMGUTEX-UHFFFAOYSA-N 2 2 433.557 -0.218 20 0 IBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001221798590 1073431747 /nfs/dbraw/zinc/43/17/47/1073431747.db2.gz JRSMERWDDJNEAF-IBGZPJMESA-N 2 2 445.630 -0.409 20 0 IBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001221798590 1073431728 /nfs/dbraw/zinc/43/17/28/1073431728.db2.gz JRSMERWDDJNEAF-IBGZPJMESA-N 2 2 445.630 -0.409 20 0 IBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001221798591 1073431798 /nfs/dbraw/zinc/43/17/98/1073431798.db2.gz JRSMERWDDJNEAF-LJQANCHMSA-N 2 2 445.630 -0.409 20 0 IBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001221798591 1073431791 /nfs/dbraw/zinc/43/17/91/1073431791.db2.gz JRSMERWDDJNEAF-LJQANCHMSA-N 2 2 445.630 -0.409 20 0 IBADLP Cn1cc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)c(=O)n(C)c1=O ZINC001231768005 1073469791 /nfs/dbraw/zinc/46/97/91/1073469791.db2.gz BPPCLIMNORROPR-UHFFFAOYSA-N 2 2 433.553 -0.381 20 0 IBADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cc1S(N)(=O)=O ZINC001233302479 1073471906 /nfs/dbraw/zinc/47/19/06/1073471906.db2.gz OXGVWTKEGLJHMJ-SJLPKXTDSA-N 2 2 440.566 -0.047 20 0 IBADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cc1S(N)(=O)=O ZINC001233302479 1073471900 /nfs/dbraw/zinc/47/19/00/1073471900.db2.gz OXGVWTKEGLJHMJ-SJLPKXTDSA-N 2 2 440.566 -0.047 20 0 IBADLP COc1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cc1S(N)(=O)=O ZINC001233302479 1073471895 /nfs/dbraw/zinc/47/18/95/1073471895.db2.gz OXGVWTKEGLJHMJ-SJLPKXTDSA-N 2 2 440.566 -0.047 20 0 IBADLP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cc1S(N)(=O)=O ZINC001233302479 1073471887 /nfs/dbraw/zinc/47/18/87/1073471887.db2.gz OXGVWTKEGLJHMJ-SJLPKXTDSA-N 2 2 440.566 -0.047 20 0 IBADLP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C[C@@H]1C[NH2+]CCO1)CCC2 ZINC001235258755 1073476409 /nfs/dbraw/zinc/47/64/09/1073476409.db2.gz SPDHCWGNIPWNBP-IPJJNNNSSA-N 2 2 430.553 -0.158 20 0 IBADLP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C[C@@H]1C[NH2+]CCO1)CCC2 ZINC001235258755 1073476406 /nfs/dbraw/zinc/47/64/06/1073476406.db2.gz SPDHCWGNIPWNBP-IPJJNNNSSA-N 2 2 430.553 -0.158 20 0 IBADLP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](C[C@H]1C[NH2+]CCO1)CCC2 ZINC001235258759 1073476227 /nfs/dbraw/zinc/47/62/27/1073476227.db2.gz SPDHCWGNIPWNBP-JQVVWYNYSA-N 2 2 430.553 -0.158 20 0 IBADLP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](C[C@H]1C[NH2+]CCO1)CCC2 ZINC001235258759 1073476216 /nfs/dbraw/zinc/47/62/16/1073476216.db2.gz SPDHCWGNIPWNBP-JQVVWYNYSA-N 2 2 430.553 -0.158 20 0 IBADLP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](Cc3c[nH+]c(N)[nH]3)CC[C@@H]12 ZINC001235491612 1073478181 /nfs/dbraw/zinc/47/81/81/1073478181.db2.gz CRVPGKHRSZEOBE-QAPCUYQASA-N 2 2 426.543 -0.533 20 0 IBADLP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](Cc3c[nH+]c(N)[nH]3)CC[C@@H]12 ZINC001235491612 1073478179 /nfs/dbraw/zinc/47/81/79/1073478179.db2.gz CRVPGKHRSZEOBE-QAPCUYQASA-N 2 2 426.543 -0.533 20 0 IBADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)O1 ZINC001235493504 1073478075 /nfs/dbraw/zinc/47/80/75/1073478075.db2.gz MYSCITASBLXYAE-QKLQHJQFSA-N 2 2 444.598 -0.314 20 0 IBADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)O1 ZINC001235493504 1073478073 /nfs/dbraw/zinc/47/80/73/1073478073.db2.gz MYSCITASBLXYAE-QKLQHJQFSA-N 2 2 444.598 -0.314 20 0 IBADLP Cn1cc(N2C[C@]3(COCC[N@@H+](Cc4ccc(N5CC[NH2+]CC5)nc4)C3)OCC2=O)cn1 ZINC001235597221 1073479780 /nfs/dbraw/zinc/47/97/80/1073479780.db2.gz MCTZALKFJCFYHZ-JOCHJYFZSA-N 2 2 441.536 -0.141 20 0 IBADLP Cn1cc(N2C[C@]3(COCC[N@H+](Cc4ccc(N5CC[NH2+]CC5)nc4)C3)OCC2=O)cn1 ZINC001235597221 1073479777 /nfs/dbraw/zinc/47/97/77/1073479777.db2.gz MCTZALKFJCFYHZ-JOCHJYFZSA-N 2 2 441.536 -0.141 20 0 IBADLP Cn1cc(N2C[C@@]3(COCC[N@@H+](Cc4ccc(N5CC[NH2+]CC5)nc4)C3)OCC2=O)cn1 ZINC001235597223 1073479768 /nfs/dbraw/zinc/47/97/68/1073479768.db2.gz MCTZALKFJCFYHZ-QFIPXVFZSA-N 2 2 441.536 -0.141 20 0 IBADLP Cn1cc(N2C[C@@]3(COCC[N@H+](Cc4ccc(N5CC[NH2+]CC5)nc4)C3)OCC2=O)cn1 ZINC001235597223 1073479767 /nfs/dbraw/zinc/47/97/67/1073479767.db2.gz MCTZALKFJCFYHZ-QFIPXVFZSA-N 2 2 441.536 -0.141 20 0 IBADLP Cn1cc(N2C[C@]3(COCC[N@@H+](Cc4cccc(C(=O)NCC[NH3+])c4)C3)OCC2=O)cn1 ZINC001235597710 1073479608 /nfs/dbraw/zinc/47/96/08/1073479608.db2.gz QEBOOAFEGGJMQO-JOCHJYFZSA-N 2 2 442.520 -0.257 20 0 IBADLP Cn1cc(N2C[C@]3(COCC[N@H+](Cc4cccc(C(=O)NCC[NH3+])c4)C3)OCC2=O)cn1 ZINC001235597710 1073479606 /nfs/dbraw/zinc/47/96/06/1073479606.db2.gz QEBOOAFEGGJMQO-JOCHJYFZSA-N 2 2 442.520 -0.257 20 0 IBADLP Cn1cc(N2C[C@@]3(COCC[N@@H+](Cc4cccc(C(=O)NCC[NH3+])c4)C3)OCC2=O)cn1 ZINC001235597711 1073480477 /nfs/dbraw/zinc/48/04/77/1073480477.db2.gz QEBOOAFEGGJMQO-QFIPXVFZSA-N 2 2 442.520 -0.257 20 0 IBADLP Cn1cc(N2C[C@@]3(COCC[N@H+](Cc4cccc(C(=O)NCC[NH3+])c4)C3)OCC2=O)cn1 ZINC001235597711 1073480471 /nfs/dbraw/zinc/48/04/71/1073480471.db2.gz QEBOOAFEGGJMQO-QFIPXVFZSA-N 2 2 442.520 -0.257 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)C1CC[NH2+]CC1)C2 ZINC001239077003 1073493766 /nfs/dbraw/zinc/49/37/66/1073493766.db2.gz BBRRXBXEEJDSEN-INIZCTEOSA-N 2 2 427.571 -0.250 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)C1CC[NH2+]CC1)C2 ZINC001239077005 1073493773 /nfs/dbraw/zinc/49/37/73/1073493773.db2.gz BBRRXBXEEJDSEN-MRXNPFEDSA-N 2 2 427.571 -0.250 20 0 IBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239077160 1073493796 /nfs/dbraw/zinc/49/37/96/1073493796.db2.gz CNXIBWYMLCFQTL-GOSISDBHSA-N 2 2 441.598 -0.003 20 0 IBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001239077161 1073493844 /nfs/dbraw/zinc/49/38/44/1073493844.db2.gz CNXIBWYMLCFQTL-SFHVURJKSA-N 2 2 441.598 -0.003 20 0 IBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246011175 1073500570 /nfs/dbraw/zinc/50/05/70/1073500570.db2.gz FRWZBXKBATUULE-UKTVDESPSA-N 2 2 444.479 -0.644 20 0 IBADLP CC(C)CCN1C[C@@]23C[N@@H+](C[C@@H](O)CC4(O)CC[NH2+]CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001246036607 1073501405 /nfs/dbraw/zinc/50/14/05/1073501405.db2.gz OWDLYGNDNGASBO-DMUMMCEESA-N 2 2 431.599 -0.245 20 0 IBADLP CC(C)CCN1C[C@@]23C[N@H+](C[C@@H](O)CC4(O)CC[NH2+]CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001246036607 1073501399 /nfs/dbraw/zinc/50/13/99/1073501399.db2.gz OWDLYGNDNGASBO-DMUMMCEESA-N 2 2 431.599 -0.245 20 0 IBADLP CC(C)CCN1C[C@@]23C[N@@H+](C[C@H](O)CC4(O)CC[NH2+]CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001246036608 1073501304 /nfs/dbraw/zinc/50/13/04/1073501304.db2.gz OWDLYGNDNGASBO-XSYGEPLQSA-N 2 2 431.599 -0.245 20 0 IBADLP CC(C)CCN1C[C@@]23C[N@H+](C[C@H](O)CC4(O)CC[NH2+]CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001246036608 1073501301 /nfs/dbraw/zinc/50/13/01/1073501301.db2.gz OWDLYGNDNGASBO-XSYGEPLQSA-N 2 2 431.599 -0.245 20 0 IBADLP CC(C)CC(=O)NCc1cc(=O)n2c(n1)C[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246039589 1073502001 /nfs/dbraw/zinc/50/20/01/1073502001.db2.gz XXRMOSPSGQILNC-GOSISDBHSA-N 2 2 435.569 -0.023 20 0 IBADLP CC(C)CC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246039589 1073501997 /nfs/dbraw/zinc/50/19/97/1073501997.db2.gz XXRMOSPSGQILNC-GOSISDBHSA-N 2 2 435.569 -0.023 20 0 IBADLP CC(C)CC(=O)NCc1cc(=O)n2c(n1)C[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246039598 1073501989 /nfs/dbraw/zinc/50/19/89/1073501989.db2.gz XXRMOSPSGQILNC-SFHVURJKSA-N 2 2 435.569 -0.023 20 0 IBADLP CC(C)CC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246039598 1073501985 /nfs/dbraw/zinc/50/19/85/1073501985.db2.gz XXRMOSPSGQILNC-SFHVURJKSA-N 2 2 435.569 -0.023 20 0 IBADLP CN(C)c1ncc2c(n1)[C@H]1C[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1S(=O)(=O)C2 ZINC001246040840 1073502705 /nfs/dbraw/zinc/50/27/05/1073502705.db2.gz VXDSASNFTAMAPU-HRCADAONSA-N 2 2 425.555 -0.896 20 0 IBADLP CN(C)c1ncc2c(n1)[C@H]1C[N@@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1S(=O)(=O)C2 ZINC001246040840 1073502699 /nfs/dbraw/zinc/50/26/99/1073502699.db2.gz VXDSASNFTAMAPU-HRCADAONSA-N 2 2 425.555 -0.896 20 0 IBADLP CN(C)c1ncc2c(n1)[C@H]1C[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1S(=O)(=O)C2 ZINC001246040847 1073502962 /nfs/dbraw/zinc/50/29/62/1073502962.db2.gz VXDSASNFTAMAPU-OWCLPIDISA-N 2 2 425.555 -0.896 20 0 IBADLP CN(C)c1ncc2c(n1)[C@H]1C[N@@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@H]1S(=O)(=O)C2 ZINC001246040847 1073502956 /nfs/dbraw/zinc/50/29/56/1073502956.db2.gz VXDSASNFTAMAPU-OWCLPIDISA-N 2 2 425.555 -0.896 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)C[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2)N1CCCC1 ZINC001246041682 1073502660 /nfs/dbraw/zinc/50/26/60/1073502660.db2.gz CGKLMMHLLKHFSP-GOSISDBHSA-N 2 2 448.568 -0.380 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)C[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2)N1CCCC1 ZINC001246041682 1073502653 /nfs/dbraw/zinc/50/26/53/1073502653.db2.gz CGKLMMHLLKHFSP-GOSISDBHSA-N 2 2 448.568 -0.380 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)C[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2)N1CCCC1 ZINC001246041683 1073502779 /nfs/dbraw/zinc/50/27/79/1073502779.db2.gz CGKLMMHLLKHFSP-SFHVURJKSA-N 2 2 448.568 -0.380 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)C[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2)N1CCCC1 ZINC001246041683 1073502774 /nfs/dbraw/zinc/50/27/74/1073502774.db2.gz CGKLMMHLLKHFSP-SFHVURJKSA-N 2 2 448.568 -0.380 20 0 IBADLP O=C(CC1CC1)NCc1cc(=O)n2c(n1)C[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246041703 1073503035 /nfs/dbraw/zinc/50/30/35/1073503035.db2.gz CZNYRUWWGFPILV-GOSISDBHSA-N 2 2 433.553 -0.269 20 0 IBADLP O=C(CC1CC1)NCc1cc(=O)n2c(n1)C[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246041703 1073503027 /nfs/dbraw/zinc/50/30/27/1073503027.db2.gz CZNYRUWWGFPILV-GOSISDBHSA-N 2 2 433.553 -0.269 20 0 IBADLP O=C(CC1CC1)NCc1cc(=O)n2c(n1)C[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246041704 1073502685 /nfs/dbraw/zinc/50/26/85/1073502685.db2.gz CZNYRUWWGFPILV-SFHVURJKSA-N 2 2 433.553 -0.269 20 0 IBADLP O=C(CC1CC1)NCc1cc(=O)n2c(n1)C[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246041704 1073502676 /nfs/dbraw/zinc/50/26/76/1073502676.db2.gz CZNYRUWWGFPILV-SFHVURJKSA-N 2 2 433.553 -0.269 20 0 IBADLP Cn1cc(N2C[C@]3(COCC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc4ccccc4)C3)OCC2=O)cn1 ZINC001246042149 1073502852 /nfs/dbraw/zinc/50/28/52/1073502852.db2.gz PKUDVPHTJUBAEX-TUNNFDKTSA-N 2 2 429.521 -0.215 20 0 IBADLP Cn1cc(N2C[C@]3(COCC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc4ccccc4)C3)OCC2=O)cn1 ZINC001246042149 1073502843 /nfs/dbraw/zinc/50/28/43/1073502843.db2.gz PKUDVPHTJUBAEX-TUNNFDKTSA-N 2 2 429.521 -0.215 20 0 IBADLP Cn1cc(N2C[C@@]3(COCC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc4ccccc4)C3)OCC2=O)cn1 ZINC001246042151 1073502917 /nfs/dbraw/zinc/50/29/17/1073502917.db2.gz PKUDVPHTJUBAEX-VWPQPMDRSA-N 2 2 429.521 -0.215 20 0 IBADLP Cn1cc(N2C[C@@]3(COCC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc4ccccc4)C3)OCC2=O)cn1 ZINC001246042151 1073502905 /nfs/dbraw/zinc/50/29/05/1073502905.db2.gz PKUDVPHTJUBAEX-VWPQPMDRSA-N 2 2 429.521 -0.215 20 0 IBADLP O=C(NC[C@H]1Cn2ccnc2C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1)c1ccnnc1 ZINC001246043557 1073503441 /nfs/dbraw/zinc/50/34/41/1073503441.db2.gz KCTNOFXYEXJIHK-AEFFLSMTSA-N 2 2 429.525 -0.600 20 0 IBADLP O=C(NC[C@H]1Cn2ccnc2C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1)c1ccnnc1 ZINC001246043557 1073503430 /nfs/dbraw/zinc/50/34/30/1073503430.db2.gz KCTNOFXYEXJIHK-AEFFLSMTSA-N 2 2 429.525 -0.600 20 0 IBADLP O=C(NC[C@@H]1Cn2ccnc2C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1)c1ccnnc1 ZINC001246043558 1073503500 /nfs/dbraw/zinc/50/35/00/1073503500.db2.gz KCTNOFXYEXJIHK-FUHWJXTLSA-N 2 2 429.525 -0.600 20 0 IBADLP O=C(NC[C@@H]1Cn2ccnc2C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1)c1ccnnc1 ZINC001246043558 1073503492 /nfs/dbraw/zinc/50/34/92/1073503492.db2.gz KCTNOFXYEXJIHK-FUHWJXTLSA-N 2 2 429.525 -0.600 20 0 IBADLP O=C(NC[C@H]1Cn2ccnc2C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1)c1ccnnc1 ZINC001246043559 1073503379 /nfs/dbraw/zinc/50/33/79/1073503379.db2.gz KCTNOFXYEXJIHK-SJLPKXTDSA-N 2 2 429.525 -0.600 20 0 IBADLP O=C(NC[C@H]1Cn2ccnc2C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1)c1ccnnc1 ZINC001246043559 1073503368 /nfs/dbraw/zinc/50/33/68/1073503368.db2.gz KCTNOFXYEXJIHK-SJLPKXTDSA-N 2 2 429.525 -0.600 20 0 IBADLP O=C(NC[C@@H]1Cn2ccnc2C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1)c1ccnnc1 ZINC001246043560 1073503351 /nfs/dbraw/zinc/50/33/51/1073503351.db2.gz KCTNOFXYEXJIHK-WMZOPIPTSA-N 2 2 429.525 -0.600 20 0 IBADLP O=C(NC[C@@H]1Cn2ccnc2C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1)c1ccnnc1 ZINC001246043560 1073503341 /nfs/dbraw/zinc/50/33/41/1073503341.db2.gz KCTNOFXYEXJIHK-WMZOPIPTSA-N 2 2 429.525 -0.600 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)C[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2)C1CCC1 ZINC001246043561 1073503759 /nfs/dbraw/zinc/50/37/59/1073503759.db2.gz KDEFMLBGOYZBEL-GOSISDBHSA-N 2 2 433.553 -0.269 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)C[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2)C1CCC1 ZINC001246043561 1073503752 /nfs/dbraw/zinc/50/37/52/1073503752.db2.gz KDEFMLBGOYZBEL-GOSISDBHSA-N 2 2 433.553 -0.269 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)C[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2)C1CCC1 ZINC001246043562 1073503830 /nfs/dbraw/zinc/50/38/30/1073503830.db2.gz KDEFMLBGOYZBEL-SFHVURJKSA-N 2 2 433.553 -0.269 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)C[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2)C1CCC1 ZINC001246043562 1073503816 /nfs/dbraw/zinc/50/38/16/1073503816.db2.gz KDEFMLBGOYZBEL-SFHVURJKSA-N 2 2 433.553 -0.269 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)C[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2)c1ccco1 ZINC001246043978 1073503798 /nfs/dbraw/zinc/50/37/98/1073503798.db2.gz VDCDDWQCWSGLPP-KRWDZBQOSA-N 2 2 445.520 -0.163 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)C[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2)c1ccco1 ZINC001246043978 1073503787 /nfs/dbraw/zinc/50/37/87/1073503787.db2.gz VDCDDWQCWSGLPP-KRWDZBQOSA-N 2 2 445.520 -0.163 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)C[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2)c1ccco1 ZINC001246043981 1073503565 /nfs/dbraw/zinc/50/35/65/1073503565.db2.gz VDCDDWQCWSGLPP-QGZVFWFLSA-N 2 2 445.520 -0.163 20 0 IBADLP O=C(NCc1cc(=O)n2c(n1)C[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2)c1ccco1 ZINC001246043981 1073503558 /nfs/dbraw/zinc/50/35/58/1073503558.db2.gz VDCDDWQCWSGLPP-QGZVFWFLSA-N 2 2 445.520 -0.163 20 0 IBADLP O=C(C1CC[NH+](C2CC[NH+](C[C@@H](O)CC3(O)CC[NH2+]CC3)CC2)CC1)N1CCOCC1 ZINC001246044396 1073503598 /nfs/dbraw/zinc/50/35/98/1073503598.db2.gz MQZRIDRPIUZYIV-NRFANRHFSA-N 3 2 438.613 -0.113 20 0 IBADLP O=C(C1CC[NH+](C2CC[NH+](C[C@H](O)CC3(O)CC[NH2+]CC3)CC2)CC1)N1CCOCC1 ZINC001246044402 1073503623 /nfs/dbraw/zinc/50/36/23/1073503623.db2.gz MQZRIDRPIUZYIV-OAQYLSRUSA-N 3 2 438.613 -0.113 20 0 IBADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246050677 1073503877 /nfs/dbraw/zinc/50/38/77/1073503877.db2.gz FHWVDWHNSBRRLK-HKUYNNGSSA-N 3 2 425.484 -0.378 20 0 IBADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246050677 1073503871 /nfs/dbraw/zinc/50/38/71/1073503871.db2.gz FHWVDWHNSBRRLK-HKUYNNGSSA-N 3 2 425.484 -0.378 20 0 IBADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246050678 1073503659 /nfs/dbraw/zinc/50/36/59/1073503659.db2.gz FHWVDWHNSBRRLK-IEBWSBKVSA-N 3 2 425.484 -0.378 20 0 IBADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246050678 1073503649 /nfs/dbraw/zinc/50/36/49/1073503649.db2.gz FHWVDWHNSBRRLK-IEBWSBKVSA-N 3 2 425.484 -0.378 20 0 IBADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246050682 1073503542 /nfs/dbraw/zinc/50/35/42/1073503542.db2.gz FHWVDWHNSBRRLK-MJGOQNOKSA-N 3 2 425.484 -0.378 20 0 IBADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246050682 1073503532 /nfs/dbraw/zinc/50/35/32/1073503532.db2.gz FHWVDWHNSBRRLK-MJGOQNOKSA-N 3 2 425.484 -0.378 20 0 IBADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246050683 1073503690 /nfs/dbraw/zinc/50/36/90/1073503690.db2.gz FHWVDWHNSBRRLK-PKOBYXMFSA-N 3 2 425.484 -0.378 20 0 IBADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246050683 1073503679 /nfs/dbraw/zinc/50/36/79/1073503679.db2.gz FHWVDWHNSBRRLK-PKOBYXMFSA-N 3 2 425.484 -0.378 20 0 IBADLP CC(C)(C)OC(=O)[C@H](O)C[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001246055679 1073504226 /nfs/dbraw/zinc/50/42/26/1073504226.db2.gz SMXYWTFSDMLFAW-HRCADAONSA-N 2 2 432.512 -0.095 20 0 IBADLP CC(C)(C)OC(=O)[C@@H](O)C[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001246055686 1073504337 /nfs/dbraw/zinc/50/43/37/1073504337.db2.gz SMXYWTFSDMLFAW-JYJNAYRXSA-N 2 2 432.512 -0.095 20 0 IBADLP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246214141 1073506266 /nfs/dbraw/zinc/50/62/66/1073506266.db2.gz TWNXNXQBACEWBH-AEKGVMIASA-N 2 2 439.520 -0.019 20 0 IBADLP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246214142 1073506292 /nfs/dbraw/zinc/50/62/92/1073506292.db2.gz TWNXNXQBACEWBH-GEPIVXHASA-N 2 2 439.520 -0.019 20 0 IBADLP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246214143 1073506477 /nfs/dbraw/zinc/50/64/77/1073506477.db2.gz TWNXNXQBACEWBH-NUFAXREYSA-N 2 2 439.520 -0.019 20 0 IBADLP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246214144 1073506400 /nfs/dbraw/zinc/50/64/00/1073506400.db2.gz TWNXNXQBACEWBH-VKKORBSLSA-N 2 2 439.520 -0.019 20 0 IBADLP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CC[NH2+]C1 ZINC001246285984 1073508094 /nfs/dbraw/zinc/50/80/94/1073508094.db2.gz GWZMKNKTLRJVTK-FQEVSTJZSA-N 3 2 437.578 -0.987 20 0 IBADLP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CC[NH2+]C1 ZINC001246285991 1073508040 /nfs/dbraw/zinc/50/80/40/1073508040.db2.gz GWZMKNKTLRJVTK-HXUWFJFHSA-N 3 2 437.578 -0.987 20 0 IBADLP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246344910 1073509369 /nfs/dbraw/zinc/50/93/69/1073509369.db2.gz KXSZOTFZVDPAGT-SEJPIABJSA-N 3 2 449.589 -0.846 20 0 IBADLP O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCC[NH2+][C@@H]1CC[NH2+]C1 ZINC001246406265 1073509812 /nfs/dbraw/zinc/50/98/12/1073509812.db2.gz SPVIVXWFYUTCOD-DFEOGRTESA-N 2 2 443.614 -0.187 20 0 IBADLP O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCC[NH2+][C@H]1CC[NH2+]C1 ZINC001246406270 1073509931 /nfs/dbraw/zinc/50/99/31/1073509931.db2.gz SPVIVXWFYUTCOD-DWRORGKVSA-N 2 2 443.614 -0.187 20 0 IBADLP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2)C(N)=O ZINC001246452435 1073511148 /nfs/dbraw/zinc/51/11/48/1073511148.db2.gz XQKQABMYEXERQO-ALILYOIUSA-N 2 2 425.599 -0.111 20 0 IBADLP COC(=O)C1C[C@@H]2CC(n3c[nH+]cc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)C[C@H](C1)[NH2+]2 ZINC001246482278 1073511750 /nfs/dbraw/zinc/51/17/50/1073511750.db2.gz MWPNRINLWMVPIK-YMFAHRSGSA-N 3 2 432.525 -0.526 20 0 IBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246485058 1073511712 /nfs/dbraw/zinc/51/17/12/1073511712.db2.gz WSFVYXPYTBXMRB-JBXWZHMNSA-N 2 2 426.514 -0.781 20 0 IBADLP CNC(=O)[C@H](CCCNC(=[NH2+])NC1C[C@@H]2COC[C@H](C1)[N@H+]2C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246524252 1073512940 /nfs/dbraw/zinc/51/29/40/1073512940.db2.gz PWLRNKFWEZDVMO-KKGYMGPXSA-N 3 2 439.605 -0.654 20 0 IBADLP CNC(=O)[C@H](CCCNC(=[NH2+])NC1C[C@@H]2COC[C@H](C1)[N@@H+]2C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001246524252 1073512929 /nfs/dbraw/zinc/51/29/29/1073512929.db2.gz PWLRNKFWEZDVMO-KKGYMGPXSA-N 3 2 439.605 -0.654 20 0 IBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCOC[C@@]2(C[NH2+]CCO2)C1 ZINC001246601283 1073513736 /nfs/dbraw/zinc/51/37/36/1073513736.db2.gz HVKOGGLMWCLGAE-HRAATJIYSA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCOC[C@@]2(C[NH2+]CCO2)C1 ZINC001246601283 1073513728 /nfs/dbraw/zinc/51/37/28/1073513728.db2.gz HVKOGGLMWCLGAE-HRAATJIYSA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCOC[C@]2(C[NH2+]CCO2)C1 ZINC001246601285 1073513556 /nfs/dbraw/zinc/51/35/56/1073513556.db2.gz HVKOGGLMWCLGAE-IERDGZPVSA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCOC[C@]2(C[NH2+]CCO2)C1 ZINC001246601285 1073513543 /nfs/dbraw/zinc/51/35/43/1073513543.db2.gz HVKOGGLMWCLGAE-IERDGZPVSA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCOC[C@@]2(C[NH2+]CCO2)C1 ZINC001246601286 1073513844 /nfs/dbraw/zinc/51/38/44/1073513844.db2.gz HVKOGGLMWCLGAE-IIBYNOLFSA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCOC[C@@]2(C[NH2+]CCO2)C1 ZINC001246601286 1073513840 /nfs/dbraw/zinc/51/38/40/1073513840.db2.gz HVKOGGLMWCLGAE-IIBYNOLFSA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCOC[C@]2(C[NH2+]CCO2)C1 ZINC001246601287 1073513771 /nfs/dbraw/zinc/51/37/71/1073513771.db2.gz HVKOGGLMWCLGAE-KKSFZXQISA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCOC[C@]2(C[NH2+]CCO2)C1 ZINC001246601287 1073513763 /nfs/dbraw/zinc/51/37/63/1073513763.db2.gz HVKOGGLMWCLGAE-KKSFZXQISA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246632834 1073514464 /nfs/dbraw/zinc/51/44/64/1073514464.db2.gz XHXGAULIZRTJBK-HRAATJIYSA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246632834 1073514454 /nfs/dbraw/zinc/51/44/54/1073514454.db2.gz XHXGAULIZRTJBK-HRAATJIYSA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC001246632840 1073514223 /nfs/dbraw/zinc/51/42/23/1073514223.db2.gz XHXGAULIZRTJBK-IERDGZPVSA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC001246632840 1073514212 /nfs/dbraw/zinc/51/42/12/1073514212.db2.gz XHXGAULIZRTJBK-IERDGZPVSA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246632844 1073514188 /nfs/dbraw/zinc/51/41/88/1073514188.db2.gz XHXGAULIZRTJBK-IIBYNOLFSA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246632844 1073514178 /nfs/dbraw/zinc/51/41/78/1073514178.db2.gz XHXGAULIZRTJBK-IIBYNOLFSA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC001246632847 1073514531 /nfs/dbraw/zinc/51/45/31/1073514531.db2.gz XHXGAULIZRTJBK-KKSFZXQISA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC001246632847 1073514525 /nfs/dbraw/zinc/51/45/25/1073514525.db2.gz XHXGAULIZRTJBK-KKSFZXQISA-N 2 2 434.541 -0.317 20 0 IBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246653092 1073514439 /nfs/dbraw/zinc/51/44/39/1073514439.db2.gz QZBMGXJLPLYCOE-AOMKIAJQSA-N 2 2 445.568 -0.063 20 0 IBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246653092 1073514430 /nfs/dbraw/zinc/51/44/30/1073514430.db2.gz QZBMGXJLPLYCOE-AOMKIAJQSA-N 2 2 445.568 -0.063 20 0 IBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246653093 1073514507 /nfs/dbraw/zinc/51/45/07/1073514507.db2.gz QZBMGXJLPLYCOE-KSFYIVLOSA-N 2 2 445.568 -0.063 20 0 IBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246653093 1073514499 /nfs/dbraw/zinc/51/44/99/1073514499.db2.gz QZBMGXJLPLYCOE-KSFYIVLOSA-N 2 2 445.568 -0.063 20 0 IBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246653094 1073514287 /nfs/dbraw/zinc/51/42/87/1073514287.db2.gz QZBMGXJLPLYCOE-OPAMFIHVSA-N 2 2 445.568 -0.063 20 0 IBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246653094 1073514274 /nfs/dbraw/zinc/51/42/74/1073514274.db2.gz QZBMGXJLPLYCOE-OPAMFIHVSA-N 2 2 445.568 -0.063 20 0 IBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246653095 1073514637 /nfs/dbraw/zinc/51/46/37/1073514637.db2.gz QZBMGXJLPLYCOE-ZHRRBRCNSA-N 2 2 445.568 -0.063 20 0 IBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246653095 1073514628 /nfs/dbraw/zinc/51/46/28/1073514628.db2.gz QZBMGXJLPLYCOE-ZHRRBRCNSA-N 2 2 445.568 -0.063 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)CC2 ZINC001246698472 1073516069 /nfs/dbraw/zinc/51/60/69/1073516069.db2.gz FSDVZNDNDTYVQF-RDJZCZTQSA-N 2 2 447.609 -0.571 20 0 IBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)CC2 ZINC001246698477 1073515757 /nfs/dbraw/zinc/51/57/57/1073515757.db2.gz FSDVZNDNDTYVQF-WBVHZDCISA-N 2 2 447.609 -0.571 20 0 IBADLP O=C([C@@H]1C[C@H](N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C[NH2+]1)N1CCSC1 ZINC001246738275 1073520030 /nfs/dbraw/zinc/52/00/30/1073520030.db2.gz KTXHVQSDCKXBDD-IRXDYDNUSA-N 2 2 429.550 -0.043 20 0 IBADLP O=C([C@@H]1C[C@@H](N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C[NH2+]1)N1CCSC1 ZINC001246738284 1073519671 /nfs/dbraw/zinc/51/96/71/1073519671.db2.gz KTXHVQSDCKXBDD-SJORKVTESA-N 2 2 429.550 -0.043 20 0 IBADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CN1 ZINC001246913278 1073525790 /nfs/dbraw/zinc/52/57/90/1073525790.db2.gz VUDRPDYKIHLANZ-QAETUUGQSA-N 2 2 429.512 -0.504 20 0 IBADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CN1 ZINC001246913279 1073525743 /nfs/dbraw/zinc/52/57/43/1073525743.db2.gz VUDRPDYKIHLANZ-QZWWFDLISA-N 2 2 429.512 -0.504 20 0 IBADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CN1 ZINC001246916311 1073525634 /nfs/dbraw/zinc/52/56/34/1073525634.db2.gz KDKYVLVKWOUOIV-OWSLCNJRSA-N 2 2 443.539 -0.114 20 0 IBADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CN1 ZINC001246916315 1073525682 /nfs/dbraw/zinc/52/56/82/1073525682.db2.gz KDKYVLVKWOUOIV-XSLAGTTESA-N 2 2 443.539 -0.114 20 0 IBADLP COC(=O)[C@@H]1C[C@H]([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246923641 1073526678 /nfs/dbraw/zinc/52/66/78/1073526678.db2.gz DJWCWJIFKUZMNY-MOPGFXCFSA-N 3 2 433.553 -0.051 20 0 IBADLP COC(=O)[C@@H]1C[C@H]([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246923641 1073526673 /nfs/dbraw/zinc/52/66/73/1073526673.db2.gz DJWCWJIFKUZMNY-MOPGFXCFSA-N 3 2 433.553 -0.051 20 0 IBADLP COC(=O)[C@@H]1C[C@@H]([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246923643 1073526450 /nfs/dbraw/zinc/52/64/50/1073526450.db2.gz DJWCWJIFKUZMNY-OALUTQOASA-N 3 2 433.553 -0.051 20 0 IBADLP COC(=O)[C@@H]1C[C@@H]([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246923643 1073526436 /nfs/dbraw/zinc/52/64/36/1073526436.db2.gz DJWCWJIFKUZMNY-OALUTQOASA-N 3 2 433.553 -0.051 20 0 IBADLP COC(=O)[C@H]1C[C@@H]([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246923644 1073526602 /nfs/dbraw/zinc/52/66/02/1073526602.db2.gz DJWCWJIFKUZMNY-RBUKOAKNSA-N 3 2 433.553 -0.051 20 0 IBADLP COC(=O)[C@H]1C[C@@H]([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246923644 1073526592 /nfs/dbraw/zinc/52/65/92/1073526592.db2.gz DJWCWJIFKUZMNY-RBUKOAKNSA-N 3 2 433.553 -0.051 20 0 IBADLP COC(=O)[C@H]1C[C@H]([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246923645 1073526549 /nfs/dbraw/zinc/52/65/49/1073526549.db2.gz DJWCWJIFKUZMNY-RTBURBONSA-N 3 2 433.553 -0.051 20 0 IBADLP COC(=O)[C@H]1C[C@H]([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246923645 1073526540 /nfs/dbraw/zinc/52/65/40/1073526540.db2.gz DJWCWJIFKUZMNY-RTBURBONSA-N 3 2 433.553 -0.051 20 0 IBADLP CCOC(=O)C1CCC(O)(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001251077695 1073541562 /nfs/dbraw/zinc/54/15/62/1073541562.db2.gz ZQPWAAWIQAOUAD-ZZUNWWICSA-N 2 2 435.525 -0.129 20 0 IBADLP CN(C(=O)c1ccc(-n2cncn2)nc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001251678028 1073549397 /nfs/dbraw/zinc/54/93/97/1073549397.db2.gz JBZBPHMBKOZAIR-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001251740837 1073550966 /nfs/dbraw/zinc/55/09/66/1073550966.db2.gz KXYRSDZFNGKIOU-UHFFFAOYSA-N 2 2 431.603 -0.263 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001251800927 1073551827 /nfs/dbraw/zinc/55/18/27/1073551827.db2.gz BYHFBPHZWAYAFU-GDBMZVCRSA-N 2 2 425.555 -0.563 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001251800927 1073551817 /nfs/dbraw/zinc/55/18/17/1073551817.db2.gz BYHFBPHZWAYAFU-GDBMZVCRSA-N 2 2 425.555 -0.563 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001251800928 1073551658 /nfs/dbraw/zinc/55/16/58/1073551658.db2.gz BYHFBPHZWAYAFU-GOEBONIOSA-N 2 2 425.555 -0.563 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001251800928 1073551648 /nfs/dbraw/zinc/55/16/48/1073551648.db2.gz BYHFBPHZWAYAFU-GOEBONIOSA-N 2 2 425.555 -0.563 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001251800929 1073551534 /nfs/dbraw/zinc/55/15/34/1073551534.db2.gz BYHFBPHZWAYAFU-HOCLYGCPSA-N 2 2 425.555 -0.563 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001251800929 1073551526 /nfs/dbraw/zinc/55/15/26/1073551526.db2.gz BYHFBPHZWAYAFU-HOCLYGCPSA-N 2 2 425.555 -0.563 20 0 IBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001251800930 1073551610 /nfs/dbraw/zinc/55/16/10/1073551610.db2.gz BYHFBPHZWAYAFU-ZBFHGGJFSA-N 2 2 425.555 -0.563 20 0 IBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001251800930 1073551600 /nfs/dbraw/zinc/55/16/00/1073551600.db2.gz BYHFBPHZWAYAFU-ZBFHGGJFSA-N 2 2 425.555 -0.563 20 0 IBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252952165 1073564742 /nfs/dbraw/zinc/56/47/42/1073564742.db2.gz VNXMVHZLGYIRIR-ACTFIFLWSA-N 2 2 434.537 -0.216 20 0 IBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252952165 1073564734 /nfs/dbraw/zinc/56/47/34/1073564734.db2.gz VNXMVHZLGYIRIR-ACTFIFLWSA-N 2 2 434.537 -0.216 20 0 IBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252952166 1073564948 /nfs/dbraw/zinc/56/49/48/1073564948.db2.gz VNXMVHZLGYIRIR-DOWNOZBLSA-N 2 2 434.537 -0.216 20 0 IBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252952166 1073564938 /nfs/dbraw/zinc/56/49/38/1073564938.db2.gz VNXMVHZLGYIRIR-DOWNOZBLSA-N 2 2 434.537 -0.216 20 0 IBADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC3)C1=O ZINC001253388688 1073568730 /nfs/dbraw/zinc/56/87/30/1073568730.db2.gz MALQTUZGJTUIGS-OXQOHEQNSA-N 2 2 430.615 -0.059 20 0 IBADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC3)C1=O ZINC001253388697 1073568685 /nfs/dbraw/zinc/56/86/85/1073568685.db2.gz MALQTUZGJTUIGS-UZLBHIALSA-N 2 2 430.615 -0.059 20 0 IBADLP CN(C(=O)c1ccnc2c(C(N)=O)cnn21)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001253940728 1073574751 /nfs/dbraw/zinc/57/47/51/1073574751.db2.gz BHAHZFCQXKKDDP-UHFFFAOYSA-N 2 2 442.524 -0.861 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001254641717 1073589644 /nfs/dbraw/zinc/58/96/44/1073589644.db2.gz MQMVHGJPTCBQBS-DENIHFKCSA-N 2 2 439.601 -0.302 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001254641717 1073589634 /nfs/dbraw/zinc/58/96/34/1073589634.db2.gz MQMVHGJPTCBQBS-DENIHFKCSA-N 2 2 439.601 -0.302 20 0 IBADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001254641717 1073589620 /nfs/dbraw/zinc/58/96/20/1073589620.db2.gz MQMVHGJPTCBQBS-DENIHFKCSA-N 2 2 439.601 -0.302 20 0 IBADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001254641717 1073589604 /nfs/dbraw/zinc/58/96/04/1073589604.db2.gz MQMVHGJPTCBQBS-DENIHFKCSA-N 2 2 439.601 -0.302 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001254641718 1073589764 /nfs/dbraw/zinc/58/97/64/1073589764.db2.gz MQMVHGJPTCBQBS-KNQAVFIVSA-N 2 2 439.601 -0.302 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001254641718 1073589744 /nfs/dbraw/zinc/58/97/44/1073589744.db2.gz MQMVHGJPTCBQBS-KNQAVFIVSA-N 2 2 439.601 -0.302 20 0 IBADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001254641718 1073589728 /nfs/dbraw/zinc/58/97/28/1073589728.db2.gz MQMVHGJPTCBQBS-KNQAVFIVSA-N 2 2 439.601 -0.302 20 0 IBADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001254641718 1073589720 /nfs/dbraw/zinc/58/97/20/1073589720.db2.gz MQMVHGJPTCBQBS-KNQAVFIVSA-N 2 2 439.601 -0.302 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001254641719 1073589518 /nfs/dbraw/zinc/58/95/18/1073589518.db2.gz MQMVHGJPTCBQBS-SIKLNZKXSA-N 2 2 439.601 -0.302 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001254641719 1073589502 /nfs/dbraw/zinc/58/95/02/1073589502.db2.gz MQMVHGJPTCBQBS-SIKLNZKXSA-N 2 2 439.601 -0.302 20 0 IBADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001254641719 1073589492 /nfs/dbraw/zinc/58/94/92/1073589492.db2.gz MQMVHGJPTCBQBS-SIKLNZKXSA-N 2 2 439.601 -0.302 20 0 IBADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001254641719 1073589481 /nfs/dbraw/zinc/58/94/81/1073589481.db2.gz MQMVHGJPTCBQBS-SIKLNZKXSA-N 2 2 439.601 -0.302 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001254641720 1073589251 /nfs/dbraw/zinc/58/92/51/1073589251.db2.gz MQMVHGJPTCBQBS-UGKGYDQZSA-N 2 2 439.601 -0.302 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001254641720 1073589240 /nfs/dbraw/zinc/58/92/40/1073589240.db2.gz MQMVHGJPTCBQBS-UGKGYDQZSA-N 2 2 439.601 -0.302 20 0 IBADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001254641720 1073589227 /nfs/dbraw/zinc/58/92/27/1073589227.db2.gz MQMVHGJPTCBQBS-UGKGYDQZSA-N 2 2 439.601 -0.302 20 0 IBADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001254641720 1073589220 /nfs/dbraw/zinc/58/92/20/1073589220.db2.gz MQMVHGJPTCBQBS-UGKGYDQZSA-N 2 2 439.601 -0.302 20 0 IBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255979748 1073599801 /nfs/dbraw/zinc/59/98/01/1073599801.db2.gz AEAJJLONJDOCHC-KBPBESRZSA-N 2 2 430.431 -0.045 20 0 IBADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001256073314 1073600593 /nfs/dbraw/zinc/60/05/93/1073600593.db2.gz QRIUIKVUCHQJSL-LIRRHRJNSA-N 2 2 431.537 -0.374 20 0 IBADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+]C1CC[NH+](C)CC1)C(N)=O ZINC001256201267 1073601941 /nfs/dbraw/zinc/60/19/41/1073601941.db2.gz BBGCMCMTSMYXOT-FHWLQOOXSA-N 3 2 438.617 -0.215 20 0 IBADLP CC(C)CC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256366953 1073603817 /nfs/dbraw/zinc/60/38/17/1073603817.db2.gz TZQTVIOXQAUUPM-NJAFHUGGSA-N 3 2 437.589 -0.035 20 0 IBADLP CC(C)CC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001256366954 1073603915 /nfs/dbraw/zinc/60/39/15/1073603915.db2.gz TZQTVIOXQAUUPM-SZMVWBNQSA-N 3 2 437.589 -0.035 20 0 IBADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001256620840 1073607527 /nfs/dbraw/zinc/60/75/27/1073607527.db2.gz FFUADAPRJLTPKK-AQUVMHGZSA-N 2 2 431.537 -0.376 20 0 IBADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001256620840 1073607522 /nfs/dbraw/zinc/60/75/22/1073607522.db2.gz FFUADAPRJLTPKK-AQUVMHGZSA-N 2 2 431.537 -0.376 20 0 IBADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 ZINC001257213191 1073609672 /nfs/dbraw/zinc/60/96/72/1073609672.db2.gz IBFROFAMQUPZJA-KXBFYZLASA-N 2 2 433.553 -0.128 20 0 IBADLP COC(=O)[C@@H]1CC[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[C@H]1C(=O)OC ZINC001257733125 1073613392 /nfs/dbraw/zinc/61/33/92/1073613392.db2.gz VRQFZSWXTGVYPG-MNLARUNXSA-N 2 2 449.508 -0.467 20 0 IBADLP COC(=O)[C@@H]1CC[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[C@H]1C(=O)OC ZINC001257733126 1073613269 /nfs/dbraw/zinc/61/32/69/1073613269.db2.gz VRQFZSWXTGVYPG-WFKFIOEPSA-N 2 2 449.508 -0.467 20 0 IBADLP CSCC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258213503 1073618342 /nfs/dbraw/zinc/61/83/42/1073618342.db2.gz QUQLBHJBIJJWHV-BPUTZDHNSA-N 3 2 441.602 -0.718 20 0 IBADLP CSCC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258213504 1073618315 /nfs/dbraw/zinc/61/83/15/1073618315.db2.gz QUQLBHJBIJJWHV-KBMXLJTQSA-N 3 2 441.602 -0.718 20 0 IBADLP CCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 ZINC001258771884 1073620663 /nfs/dbraw/zinc/62/06/63/1073620663.db2.gz ZGLSYUBPLOTIFI-KXBFYZLASA-N 2 2 433.553 -0.127 20 0 IBADLP CC(C)[NH+]1CCN(CCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001290818771 1073731911 /nfs/dbraw/zinc/73/19/11/1073731911.db2.gz YJABXMLDMYBGSK-UHFFFAOYSA-N 2 2 444.646 -0.571 20 0 IBADLP C[N@@H+](CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@H]1O ZINC001290954948 1073735666 /nfs/dbraw/zinc/73/56/66/1073735666.db2.gz RKTDEKHMPRUEGX-IAGOWNOFSA-N 2 2 425.555 -0.505 20 0 IBADLP C[N@H+](CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@H]1O ZINC001290954948 1073735656 /nfs/dbraw/zinc/73/56/56/1073735656.db2.gz RKTDEKHMPRUEGX-IAGOWNOFSA-N 2 2 425.555 -0.505 20 0 IBADLP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001292439575 1073748886 /nfs/dbraw/zinc/74/88/86/1073748886.db2.gz HHMYUSVGXCMNEK-KRWDZBQOSA-N 2 2 426.558 -0.101 20 0 IBADLP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001292439577 1073749118 /nfs/dbraw/zinc/74/91/18/1073749118.db2.gz HHMYUSVGXCMNEK-QGZVFWFLSA-N 2 2 426.558 -0.101 20 0 IBADLP CN(C(=O)CCN1C(=O)CCNC1=S)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292919092 1073751909 /nfs/dbraw/zinc/75/19/09/1073751909.db2.gz DFLXWRXVGJGILU-UHFFFAOYSA-N 2 2 438.598 -0.820 20 0 IBADLP CN(C(=O)CCCCCCS(N)(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292919619 1073752086 /nfs/dbraw/zinc/75/20/86/1073752086.db2.gz GUKSYUSTDBKFTM-UHFFFAOYSA-N 2 2 445.630 -0.078 20 0 IBADLP CN(C(=O)CNc1ccccc1C(N)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292920864 1073752038 /nfs/dbraw/zinc/75/20/38/1073752038.db2.gz PQUVNLVAQRGZIW-UHFFFAOYSA-N 2 2 430.553 -0.106 20 0 IBADLP Cc1nn(C)cc1C1=NO[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001292921036 1073751946 /nfs/dbraw/zinc/75/19/46/1073751946.db2.gz TTXVWEABPNPNAO-FQEVSTJZSA-N 2 2 445.568 -0.082 20 0 IBADLP Cc1nn(C)cc1C1=NO[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001292921037 1073752198 /nfs/dbraw/zinc/75/21/98/1073752198.db2.gz TTXVWEABPNPNAO-HXUWFJFHSA-N 2 2 445.568 -0.082 20 0 IBADLP C[N@@H+](CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)[C@@H]1CCC[C@H]1O ZINC001297662182 1073802725 /nfs/dbraw/zinc/80/27/25/1073802725.db2.gz HFEOCVPSXKYHDW-ILZDJORESA-N 2 2 432.569 -0.206 20 0 IBADLP C[N@H+](CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)[C@@H]1CCC[C@H]1O ZINC001297662182 1073802714 /nfs/dbraw/zinc/80/27/14/1073802714.db2.gz HFEOCVPSXKYHDW-ILZDJORESA-N 2 2 432.569 -0.206 20 0 IBADLP C[N@@H+](CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)[C@@H]1CCC[C@H]1O ZINC001297662184 1073802608 /nfs/dbraw/zinc/80/26/08/1073802608.db2.gz HFEOCVPSXKYHDW-YVWKXTFCSA-N 2 2 432.569 -0.206 20 0 IBADLP C[N@H+](CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)[C@@H]1CCC[C@H]1O ZINC001297662184 1073802598 /nfs/dbraw/zinc/80/25/98/1073802598.db2.gz HFEOCVPSXKYHDW-YVWKXTFCSA-N 2 2 432.569 -0.206 20 0 IBADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC2)CC1 ZINC001299521715 1073619694 /nfs/dbraw/zinc/61/96/94/1073619694.db2.gz VAGUZGMMPVQDMT-UHFFFAOYSA-N 2 2 445.630 -0.161 20 0 IBADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC2)CC1 ZINC001299521715 1073619686 /nfs/dbraw/zinc/61/96/86/1073619686.db2.gz VAGUZGMMPVQDMT-UHFFFAOYSA-N 2 2 445.630 -0.161 20 0 IBADLP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCOCC2)CC1 ZINC001301926713 1073885957 /nfs/dbraw/zinc/88/59/57/1073885957.db2.gz JMQHESXSBNYOLL-UHFFFAOYSA-N 2 2 435.573 -0.109 20 0 IBADLP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001301927026 1073886535 /nfs/dbraw/zinc/88/65/35/1073886535.db2.gz SJICVKZENGMUSF-GOSISDBHSA-N 2 2 435.573 -0.110 20 0 IBADLP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001301927026 1073886522 /nfs/dbraw/zinc/88/65/22/1073886522.db2.gz SJICVKZENGMUSF-GOSISDBHSA-N 2 2 435.573 -0.110 20 0 IBADLP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001301927027 1073886581 /nfs/dbraw/zinc/88/65/81/1073886581.db2.gz SJICVKZENGMUSF-SFHVURJKSA-N 2 2 435.573 -0.110 20 0 IBADLP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001301927027 1073886569 /nfs/dbraw/zinc/88/65/69/1073886569.db2.gz SJICVKZENGMUSF-SFHVURJKSA-N 2 2 435.573 -0.110 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303360759 1073934327 /nfs/dbraw/zinc/93/43/27/1073934327.db2.gz RNUGPVSAJVIYOC-LEWJYISDSA-N 2 2 435.573 -0.216 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303360759 1073934325 /nfs/dbraw/zinc/93/43/25/1073934325.db2.gz RNUGPVSAJVIYOC-LEWJYISDSA-N 2 2 435.573 -0.216 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303360760 1073934473 /nfs/dbraw/zinc/93/44/73/1073934473.db2.gz RNUGPVSAJVIYOC-NHCUHLMSSA-N 2 2 435.573 -0.216 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303360760 1073934469 /nfs/dbraw/zinc/93/44/69/1073934469.db2.gz RNUGPVSAJVIYOC-NHCUHLMSSA-N 2 2 435.573 -0.216 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303360761 1073934372 /nfs/dbraw/zinc/93/43/72/1073934372.db2.gz RNUGPVSAJVIYOC-RTWAWAEBSA-N 2 2 435.573 -0.216 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303360761 1073934365 /nfs/dbraw/zinc/93/43/65/1073934365.db2.gz RNUGPVSAJVIYOC-RTWAWAEBSA-N 2 2 435.573 -0.216 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303360762 1073934435 /nfs/dbraw/zinc/93/44/35/1073934435.db2.gz RNUGPVSAJVIYOC-SFTDATJTSA-N 2 2 435.573 -0.216 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303360762 1073934430 /nfs/dbraw/zinc/93/44/30/1073934430.db2.gz RNUGPVSAJVIYOC-SFTDATJTSA-N 2 2 435.573 -0.216 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001303756819 1073948000 /nfs/dbraw/zinc/94/80/00/1073948000.db2.gz UWHDXGCTDPTBPI-MSOLQXFVSA-N 2 2 435.573 -0.095 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001303756819 1073947995 /nfs/dbraw/zinc/94/79/95/1073947995.db2.gz UWHDXGCTDPTBPI-MSOLQXFVSA-N 2 2 435.573 -0.095 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001303756854 1073948203 /nfs/dbraw/zinc/94/82/03/1073948203.db2.gz UWHDXGCTDPTBPI-QZTJIDSGSA-N 2 2 435.573 -0.095 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001303756854 1073948198 /nfs/dbraw/zinc/94/81/98/1073948198.db2.gz UWHDXGCTDPTBPI-QZTJIDSGSA-N 2 2 435.573 -0.095 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001303756856 1073948070 /nfs/dbraw/zinc/94/80/70/1073948070.db2.gz UWHDXGCTDPTBPI-ROUUACIJSA-N 2 2 435.573 -0.095 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001303756856 1073948063 /nfs/dbraw/zinc/94/80/63/1073948063.db2.gz UWHDXGCTDPTBPI-ROUUACIJSA-N 2 2 435.573 -0.095 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001303756858 1073948155 /nfs/dbraw/zinc/94/81/55/1073948155.db2.gz UWHDXGCTDPTBPI-ZWKOTPCHSA-N 2 2 435.573 -0.095 20 0 IBADLP CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001303756858 1073948146 /nfs/dbraw/zinc/94/81/46/1073948146.db2.gz UWHDXGCTDPTBPI-ZWKOTPCHSA-N 2 2 435.573 -0.095 20 0 IBADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001307551572 1074000873 /nfs/dbraw/zinc/00/08/73/1074000873.db2.gz JIYLLXQUSSTXHT-UHFFFAOYSA-N 2 2 443.614 -0.597 20 0 IBADLP CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313941619 1074053207 /nfs/dbraw/zinc/05/32/07/1074053207.db2.gz NGKRDKAJBCMJNH-AEFFLSMTSA-N 2 2 432.573 -0.076 20 0 IBADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313941619 1074053201 /nfs/dbraw/zinc/05/32/01/1074053201.db2.gz NGKRDKAJBCMJNH-AEFFLSMTSA-N 2 2 432.573 -0.076 20 0 IBADLP CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313941628 1074053119 /nfs/dbraw/zinc/05/31/19/1074053119.db2.gz NGKRDKAJBCMJNH-FUHWJXTLSA-N 2 2 432.573 -0.076 20 0 IBADLP CC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313941628 1074053111 /nfs/dbraw/zinc/05/31/11/1074053111.db2.gz NGKRDKAJBCMJNH-FUHWJXTLSA-N 2 2 432.573 -0.076 20 0 IBADLP CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313941630 1074053338 /nfs/dbraw/zinc/05/33/38/1074053338.db2.gz NGKRDKAJBCMJNH-SJLPKXTDSA-N 2 2 432.573 -0.076 20 0 IBADLP CC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313941630 1074053334 /nfs/dbraw/zinc/05/33/34/1074053334.db2.gz NGKRDKAJBCMJNH-SJLPKXTDSA-N 2 2 432.573 -0.076 20 0 IBADLP CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313941632 1074052973 /nfs/dbraw/zinc/05/29/73/1074052973.db2.gz NGKRDKAJBCMJNH-WMZOPIPTSA-N 2 2 432.573 -0.076 20 0 IBADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313941632 1074052965 /nfs/dbraw/zinc/05/29/65/1074052965.db2.gz NGKRDKAJBCMJNH-WMZOPIPTSA-N 2 2 432.573 -0.076 20 0 IBADLP COCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001316126952 1074118351 /nfs/dbraw/zinc/11/83/51/1074118351.db2.gz AYKSTQAQFKXEEP-UHFFFAOYSA-N 2 2 443.556 -0.332 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001318113372 1074154401 /nfs/dbraw/zinc/15/44/01/1074154401.db2.gz JXCKEXQUYXZDTP-CRAIPNDOSA-N 2 2 426.583 -0.303 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001318113373 1074154389 /nfs/dbraw/zinc/15/43/89/1074154389.db2.gz JXCKEXQUYXZDTP-MAUKXSAKSA-N 2 2 426.583 -0.303 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001318113374 1074154335 /nfs/dbraw/zinc/15/43/35/1074154335.db2.gz JXCKEXQUYXZDTP-QAPCUYQASA-N 2 2 426.583 -0.303 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)CC1 ZINC001318113375 1074154441 /nfs/dbraw/zinc/15/44/41/1074154441.db2.gz JXCKEXQUYXZDTP-YJBOKZPZSA-N 2 2 426.583 -0.303 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)CC1 ZINC001318213191 1074156262 /nfs/dbraw/zinc/15/62/62/1074156262.db2.gz ZBBHPKIYOWPSSC-KRWDZBQOSA-N 2 2 439.582 -0.173 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)CC1 ZINC001318213192 1074156645 /nfs/dbraw/zinc/15/66/45/1074156645.db2.gz ZBBHPKIYOWPSSC-QGZVFWFLSA-N 2 2 439.582 -0.173 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001318291053 1074158675 /nfs/dbraw/zinc/15/86/75/1074158675.db2.gz VBAJTNWRASWBFU-INIZCTEOSA-N 2 2 429.587 -0.462 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001318291054 1074158786 /nfs/dbraw/zinc/15/87/86/1074158786.db2.gz VBAJTNWRASWBFU-MRXNPFEDSA-N 2 2 429.587 -0.462 20 0 IBADLP CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001318300468 1074159253 /nfs/dbraw/zinc/15/92/53/1074159253.db2.gz MQYDNNLANGGLMA-UHFFFAOYSA-N 2 2 443.614 -0.645 20 0 IBADLP CN(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001318363246 1074163055 /nfs/dbraw/zinc/16/30/55/1074163055.db2.gz UUTLYAZWQWATPA-UHFFFAOYSA-N 2 2 447.584 -0.532 20 0 IBADLP CN(C(=O)C1CCC2(CC1)NC(=O)NC2=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001318373890 1074162905 /nfs/dbraw/zinc/16/29/05/1074162905.db2.gz PLZOAUZTPBLENV-UHFFFAOYSA-N 2 2 448.568 -0.548 20 0 IBADLP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001318566708 1074169300 /nfs/dbraw/zinc/16/93/00/1074169300.db2.gz DKTRQISRGIAMAG-UHFFFAOYSA-N 2 2 434.541 -0.174 20 0 IBADLP CN(C(=O)c1ccnc(-n2cncn2)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001318567585 1074169342 /nfs/dbraw/zinc/16/93/42/1074169342.db2.gz NLSQFOGQOZIJGJ-UHFFFAOYSA-N 2 2 426.525 -0.027 20 0 IBADLP CN(C(=O)c1cnc2n(c1=O)CCS2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001318568230 1074169174 /nfs/dbraw/zinc/16/91/74/1074169174.db2.gz WPYBINDEQAGDQZ-UHFFFAOYSA-N 2 2 434.566 -0.341 20 0 IBADLP CN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001318731580 1074174671 /nfs/dbraw/zinc/17/46/71/1074174671.db2.gz UIQJZFMIYDWORH-DLBZAZTESA-N 2 2 439.582 -0.221 20 0 IBADLP CN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001318731580 1074174668 /nfs/dbraw/zinc/17/46/68/1074174668.db2.gz UIQJZFMIYDWORH-DLBZAZTESA-N 2 2 439.582 -0.221 20 0 IBADLP CN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001318731581 1074174773 /nfs/dbraw/zinc/17/47/73/1074174773.db2.gz UIQJZFMIYDWORH-IAGOWNOFSA-N 2 2 439.582 -0.221 20 0 IBADLP CN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001318731581 1074174771 /nfs/dbraw/zinc/17/47/71/1074174771.db2.gz UIQJZFMIYDWORH-IAGOWNOFSA-N 2 2 439.582 -0.221 20 0 IBADLP CN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001318731582 1074174715 /nfs/dbraw/zinc/17/47/15/1074174715.db2.gz UIQJZFMIYDWORH-IRXDYDNUSA-N 2 2 439.582 -0.221 20 0 IBADLP CN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001318731582 1074174714 /nfs/dbraw/zinc/17/47/14/1074174714.db2.gz UIQJZFMIYDWORH-IRXDYDNUSA-N 2 2 439.582 -0.221 20 0 IBADLP CN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001318731583 1074174695 /nfs/dbraw/zinc/17/46/95/1074174695.db2.gz UIQJZFMIYDWORH-SJORKVTESA-N 2 2 439.582 -0.221 20 0 IBADLP CN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001318731583 1074174694 /nfs/dbraw/zinc/17/46/94/1074174694.db2.gz UIQJZFMIYDWORH-SJORKVTESA-N 2 2 439.582 -0.221 20 0 IBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001318870939 1074178644 /nfs/dbraw/zinc/17/86/44/1074178644.db2.gz JKLGJGHIXIIUIS-GOSISDBHSA-N 2 2 431.603 -0.799 20 0 IBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001318870939 1074178640 /nfs/dbraw/zinc/17/86/40/1074178640.db2.gz JKLGJGHIXIIUIS-GOSISDBHSA-N 2 2 431.603 -0.799 20 0 IBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001318870940 1074178502 /nfs/dbraw/zinc/17/85/02/1074178502.db2.gz JKLGJGHIXIIUIS-SFHVURJKSA-N 2 2 431.603 -0.799 20 0 IBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001318870940 1074178498 /nfs/dbraw/zinc/17/84/98/1074178498.db2.gz JKLGJGHIXIIUIS-SFHVURJKSA-N 2 2 431.603 -0.799 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)CC2)CC1 ZINC001318912847 1074179108 /nfs/dbraw/zinc/17/91/08/1074179108.db2.gz JHISLQYJDCPGBK-UHFFFAOYSA-N 2 2 427.527 -0.668 20 0 IBADLP Cc1c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cnn1-c1cc[nH+]cc1 ZINC001319558408 1074197610 /nfs/dbraw/zinc/19/76/10/1074197610.db2.gz LWTPJTLCIMSRKL-UHFFFAOYSA-N 2 2 433.538 -0.174 20 0 IBADLP Cn1cc(S(=O)(=O)N2CCC([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)CC2)cn1 ZINC001319784479 1074202371 /nfs/dbraw/zinc/20/23/71/1074202371.db2.gz OYCRWDCIVLCGSC-UHFFFAOYSA-N 2 2 440.614 -0.041 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001319933753 1074205266 /nfs/dbraw/zinc/20/52/66/1074205266.db2.gz ANCDDZXMTJKLPF-UHFFFAOYSA-N 2 2 428.541 -0.192 20 0 IBADLP COC(=O)[C@H](O)C1CC[NH+](CC2(C[NH+]3CCC([C@H](O)C(=O)OC)CC3)COC2)CC1 ZINC001320002972 1074207040 /nfs/dbraw/zinc/20/70/40/1074207040.db2.gz XVXVKOFPVINXMX-HDICACEKSA-N 2 2 428.526 -0.505 20 0 IBADLP C[C@H](C(=O)NCc1ccnc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC001320379378 1074212780 /nfs/dbraw/zinc/21/27/80/1074212780.db2.gz UHKFFCNMGNUFAP-MSOLQXFVSA-N 2 2 431.585 -0.092 20 0 IBADLP C[C@H](C(=O)NCc1ccnc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC001320379380 1074212775 /nfs/dbraw/zinc/21/27/75/1074212775.db2.gz UHKFFCNMGNUFAP-QZTJIDSGSA-N 2 2 431.585 -0.092 20 0 IBADLP C[C@@H](C(=O)NCc1ccnc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC001320379382 1074212785 /nfs/dbraw/zinc/21/27/85/1074212785.db2.gz UHKFFCNMGNUFAP-ROUUACIJSA-N 2 2 431.585 -0.092 20 0 IBADLP C[C@H](C(=O)Nc1cc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)ccn1)N1CC[NH+](C)CC1 ZINC001320379384 1074212747 /nfs/dbraw/zinc/21/27/47/1074212747.db2.gz UHKFFCNMGNUFAP-ZWKOTPCHSA-N 2 2 431.585 -0.092 20 0 IBADLP Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001321607640 1074234194 /nfs/dbraw/zinc/23/41/94/1074234194.db2.gz YQIKVCSPSGEDJQ-UHFFFAOYSA-N 2 2 443.552 -0.430 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)CCSCCC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001321719138 1074235074 /nfs/dbraw/zinc/23/50/74/1074235074.db2.gz WNMIQVLFZLKRKQ-HDICACEKSA-N 2 2 428.647 -0.776 20 0 IBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCSCCC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001321719138 1074235067 /nfs/dbraw/zinc/23/50/67/1074235067.db2.gz WNMIQVLFZLKRKQ-HDICACEKSA-N 2 2 428.647 -0.776 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)CCSCCC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001321719138 1074235062 /nfs/dbraw/zinc/23/50/62/1074235062.db2.gz WNMIQVLFZLKRKQ-HDICACEKSA-N 2 2 428.647 -0.776 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)CCSCCC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001321719138 1074235058 /nfs/dbraw/zinc/23/50/58/1074235058.db2.gz WNMIQVLFZLKRKQ-HDICACEKSA-N 2 2 428.647 -0.776 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)CCSCCC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001321719139 1074235024 /nfs/dbraw/zinc/23/50/24/1074235024.db2.gz WNMIQVLFZLKRKQ-QZTJIDSGSA-N 2 2 428.647 -0.776 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)CCSCCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001321719139 1074235017 /nfs/dbraw/zinc/23/50/17/1074235017.db2.gz WNMIQVLFZLKRKQ-QZTJIDSGSA-N 2 2 428.647 -0.776 20 0 IBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)CCSCCC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001321719140 1074235145 /nfs/dbraw/zinc/23/51/45/1074235145.db2.gz WNMIQVLFZLKRKQ-ROUUACIJSA-N 2 2 428.647 -0.776 20 0 IBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)CCSCCC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001321719140 1074235137 /nfs/dbraw/zinc/23/51/37/1074235137.db2.gz WNMIQVLFZLKRKQ-ROUUACIJSA-N 2 2 428.647 -0.776 20 0 IBADLP C[NH+]1CCN(C(C)(C)CNC(=O)COCC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC001321831229 1074236657 /nfs/dbraw/zinc/23/66/57/1074236657.db2.gz FASJJDTXUYCHKF-UHFFFAOYSA-N 2 2 440.633 -0.713 20 0 IBADLP O=C(COCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001322075506 1074241136 /nfs/dbraw/zinc/24/11/36/1074241136.db2.gz VMYXAEYJHKTTCI-BGYRXZFFSA-N 2 2 438.569 -0.636 20 0 IBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)CC1 ZINC001322351152 1074245016 /nfs/dbraw/zinc/24/50/16/1074245016.db2.gz YHJSTKVBOYCJPV-UHFFFAOYSA-N 2 2 428.559 -0.048 20 0 IBADLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001322582796 1074247966 /nfs/dbraw/zinc/24/79/66/1074247966.db2.gz WEDCAWJOMPCAAD-GOSISDBHSA-N 2 2 437.566 -0.004 20 0 IBADLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001322582802 1074248063 /nfs/dbraw/zinc/24/80/63/1074248063.db2.gz WEDCAWJOMPCAAD-SFHVURJKSA-N 2 2 437.566 -0.004 20 0 IBADLP Cn1cc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c(=O)n(C)c1=O ZINC001322775198 1074250689 /nfs/dbraw/zinc/25/06/89/1074250689.db2.gz VTWOJPGELBHQTC-HNNXBMFYSA-N 2 2 429.525 -0.980 20 0 IBADLP Cn1cc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c(=O)n(C)c1=O ZINC001322775199 1074250673 /nfs/dbraw/zinc/25/06/73/1074250673.db2.gz VTWOJPGELBHQTC-OAHLLOKOSA-N 2 2 429.525 -0.980 20 0 IBADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001323518701 1074258004 /nfs/dbraw/zinc/25/80/04/1074258004.db2.gz AIOKGERFKPBGEU-UHFFFAOYSA-N 2 2 425.555 -0.029 20 0 IBADLP C[C@H](NC(=O)CN1CC[NH+](C)CC1)c1ccc(CNC(=O)CN2CC[NH+](C)CC2)cc1 ZINC001323782305 1074260177 /nfs/dbraw/zinc/26/01/77/1074260177.db2.gz FYGWSUGCFKXPQH-IBGZPJMESA-N 2 2 430.597 -0.025 20 0 IBADLP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)c1ccc(CNC(=O)CN2CC[NH+](C)CC2)cc1 ZINC001323782310 1074260166 /nfs/dbraw/zinc/26/01/66/1074260166.db2.gz FYGWSUGCFKXPQH-LJQANCHMSA-N 2 2 430.597 -0.025 20 0 IBADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001324169761 1074264955 /nfs/dbraw/zinc/26/49/55/1074264955.db2.gz NRSBPOVSBXVKIE-UHFFFAOYSA-N 2 2 441.554 -0.329 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001324243398 1074265341 /nfs/dbraw/zinc/26/53/41/1074265341.db2.gz DHEZEWVIDUBQSU-KRWDZBQOSA-N 2 2 428.541 -0.334 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001324243399 1074265940 /nfs/dbraw/zinc/26/59/40/1074265940.db2.gz DHEZEWVIDUBQSU-QGZVFWFLSA-N 2 2 428.541 -0.334 20 0 IBADLP C[NH+]1CCN(CCCNC(=O)c2cncc(C(=O)NCCCN3CC[NH+](C)CC3)c2)CC1 ZINC001324737419 1074272766 /nfs/dbraw/zinc/27/27/66/1074272766.db2.gz NCDSLGMFDLXIJA-UHFFFAOYSA-N 2 2 445.612 -0.184 20 0 IBADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)CC3)CC1 ZINC001325280209 1074277511 /nfs/dbraw/zinc/27/75/11/1074277511.db2.gz WIEZENPKJUQQTI-INIZCTEOSA-N 2 2 438.598 -0.153 20 0 IBADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)CC3)CC1 ZINC001325280210 1074277412 /nfs/dbraw/zinc/27/74/12/1074277412.db2.gz WIEZENPKJUQQTI-MRXNPFEDSA-N 2 2 438.598 -0.153 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)CC1 ZINC001325316313 1074278194 /nfs/dbraw/zinc/27/81/94/1074278194.db2.gz JGSXJVWIDKXJSR-INIZCTEOSA-N 2 2 430.513 -0.728 20 0 IBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)CC1 ZINC001325316315 1074278009 /nfs/dbraw/zinc/27/80/09/1074278009.db2.gz JGSXJVWIDKXJSR-MRXNPFEDSA-N 2 2 430.513 -0.728 20 0 IBADLP CN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001326777236 1074284901 /nfs/dbraw/zinc/28/49/01/1074284901.db2.gz QQAMHLDQOLNAQD-UHFFFAOYSA-N 2 2 442.520 -0.473 20 0 IBADLP C[C@H](C(=O)NCc1csc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)n1)N1CC[NH+](C)CC1 ZINC001328355705 1074290836 /nfs/dbraw/zinc/29/08/36/1074290836.db2.gz LDZBLRPTGYPBIE-CVEARBPZSA-N 2 2 437.614 -0.030 20 0 IBADLP C[C@@H](C(=O)NCc1csc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)n1)N1CC[NH+](C)CC1 ZINC001328355706 1074290707 /nfs/dbraw/zinc/29/07/07/1074290707.db2.gz LDZBLRPTGYPBIE-HOTGVXAUSA-N 2 2 437.614 -0.030 20 0 IBADLP C[C@H](C(=O)NCc1csc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)n1)N1CC[NH+](C)CC1 ZINC001328355707 1074290854 /nfs/dbraw/zinc/29/08/54/1074290854.db2.gz LDZBLRPTGYPBIE-HZPDHXFCSA-N 2 2 437.614 -0.030 20 0 IBADLP C[C@H](C(=O)Nc1nc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)cs1)N1CC[NH+](C)CC1 ZINC001328355708 1074290725 /nfs/dbraw/zinc/29/07/25/1074290725.db2.gz LDZBLRPTGYPBIE-JKSUJKDBSA-N 2 2 437.614 -0.030 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001337973268 1074308784 /nfs/dbraw/zinc/30/87/84/1074308784.db2.gz BAYYCGMTHVMIML-FGZHOGPDSA-N 2 2 444.624 -0.504 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC001337973268 1074308775 /nfs/dbraw/zinc/30/87/75/1074308775.db2.gz BAYYCGMTHVMIML-FGZHOGPDSA-N 2 2 444.624 -0.504 20 0 IBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@H]2C[NH+](C)CCN2C)cc1 ZINC001337973274 1074309076 /nfs/dbraw/zinc/30/90/76/1074309076.db2.gz BAYYCGMTHVMIML-SZPZYZBQSA-N 2 2 444.624 -0.504 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001337973274 1074309061 /nfs/dbraw/zinc/30/90/61/1074309061.db2.gz BAYYCGMTHVMIML-SZPZYZBQSA-N 2 2 444.624 -0.504 20 0 IBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC001337973274 1074309054 /nfs/dbraw/zinc/30/90/54/1074309054.db2.gz BAYYCGMTHVMIML-SZPZYZBQSA-N 2 2 444.624 -0.504 20 0 IBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001337973278 1074308936 /nfs/dbraw/zinc/30/89/36/1074308936.db2.gz BAYYCGMTHVMIML-VXKWHMMOSA-N 2 2 444.624 -0.504 20 0 IBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)Cc1ccc(CC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC001337973278 1074308931 /nfs/dbraw/zinc/30/89/31/1074308931.db2.gz BAYYCGMTHVMIML-VXKWHMMOSA-N 2 2 444.624 -0.504 20 0 IBADLP C[N@H+]1CCC[C@](O)(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001441529280 1074428013 /nfs/dbraw/zinc/42/80/13/1074428013.db2.gz WNPUDNWQCBOFHY-IBGZPJMESA-N 2 2 425.555 -0.504 20 0 IBADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001441529280 1074428006 /nfs/dbraw/zinc/42/80/06/1074428006.db2.gz WNPUDNWQCBOFHY-IBGZPJMESA-N 2 2 425.555 -0.504 20 0 IBADLP C[N@H+]1CCC[C@@](O)(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001441529281 1074427851 /nfs/dbraw/zinc/42/78/51/1074427851.db2.gz WNPUDNWQCBOFHY-LJQANCHMSA-N 2 2 425.555 -0.504 20 0 IBADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001441529281 1074427840 /nfs/dbraw/zinc/42/78/40/1074427840.db2.gz WNPUDNWQCBOFHY-LJQANCHMSA-N 2 2 425.555 -0.504 20 0 IBADLP CN(C(=O)c1cnc2c(c1)NC(=O)CN2C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001443390924 1074432927 /nfs/dbraw/zinc/43/29/27/1074432927.db2.gz LSFPNNRQZSNILM-UHFFFAOYSA-N 2 2 443.552 -0.220 20 0 IBADLP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444638956 1074438443 /nfs/dbraw/zinc/43/84/43/1074438443.db2.gz MJRUHBJTIQIIAK-DLBZAZTESA-N 2 2 441.573 -0.119 20 0 IBADLP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444638969 1074438377 /nfs/dbraw/zinc/43/83/77/1074438377.db2.gz MJRUHBJTIQIIAK-IAGOWNOFSA-N 2 2 441.573 -0.119 20 0 IBADLP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444638980 1074438347 /nfs/dbraw/zinc/43/83/47/1074438347.db2.gz MJRUHBJTIQIIAK-IRXDYDNUSA-N 2 2 441.573 -0.119 20 0 IBADLP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444638989 1074438462 /nfs/dbraw/zinc/43/84/62/1074438462.db2.gz MJRUHBJTIQIIAK-SJORKVTESA-N 2 2 441.573 -0.119 20 0 IBADLP O=S(=O)(CCC[NH+]1CCCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001462832464 1074517973 /nfs/dbraw/zinc/51/79/73/1074517973.db2.gz FCLSAIRQQZRDGD-UHFFFAOYSA-N 2 2 445.611 -0.061 20 0 IBADLP CC(C)[NH+]1CCN(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001464103919 1074529884 /nfs/dbraw/zinc/52/98/84/1074529884.db2.gz ZNRKQEGDAFKJNX-UHFFFAOYSA-N 2 2 430.619 -0.961 20 0 IBADLP CC1=C(C)C(=O)N(CCC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC001464843409 1074541744 /nfs/dbraw/zinc/54/17/44/1074541744.db2.gz HNUCOHVJWZLIEN-UHFFFAOYSA-N 2 2 433.553 -0.222 20 0 IBADLP CN(C(=O)[C@@H]1COCCN1CC(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464843431 1074541703 /nfs/dbraw/zinc/54/17/03/1074541703.db2.gz HSCKFJXDRGJQRT-KRWDZBQOSA-N 2 2 431.528 -0.351 20 0 IBADLP CN(C(=O)[C@H]1COCCN1CC(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464843433 1074541669 /nfs/dbraw/zinc/54/16/69/1074541669.db2.gz HSCKFJXDRGJQRT-QGZVFWFLSA-N 2 2 431.528 -0.351 20 0 IBADLP CC(C)[C@@H](NS(C)(=O)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464843704 1074541719 /nfs/dbraw/zinc/54/17/19/1074541719.db2.gz IGEZMIAPNMAAKZ-GOSISDBHSA-N 2 2 431.603 -0.743 20 0 IBADLP CC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464843708 1074541797 /nfs/dbraw/zinc/54/17/97/1074541797.db2.gz IGEZMIAPNMAAKZ-SFHVURJKSA-N 2 2 431.603 -0.743 20 0 IBADLP CN(C(=O)CCCCCS(N)(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464846604 1074541789 /nfs/dbraw/zinc/54/17/89/1074541789.db2.gz SCFNEMHVTNHUFD-UHFFFAOYSA-N 2 2 431.603 -0.468 20 0 IBADLP CN(C(=O)CN1CCCCS1(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464847975 1074541761 /nfs/dbraw/zinc/54/17/61/1074541761.db2.gz YOAZVPRZZQETLF-UHFFFAOYSA-N 2 2 429.587 -0.891 20 0 IBADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001467952184 1074560661 /nfs/dbraw/zinc/56/06/61/1074560661.db2.gz HGYIBVCTAVRBQI-JOCHJYFZSA-N 2 2 447.584 -0.096 20 0 IBADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001467952184 1074560653 /nfs/dbraw/zinc/56/06/53/1074560653.db2.gz HGYIBVCTAVRBQI-JOCHJYFZSA-N 2 2 447.584 -0.096 20 0 IBADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001467952188 1074560701 /nfs/dbraw/zinc/56/07/01/1074560701.db2.gz HGYIBVCTAVRBQI-QFIPXVFZSA-N 2 2 447.584 -0.096 20 0 IBADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001467952188 1074560695 /nfs/dbraw/zinc/56/06/95/1074560695.db2.gz HGYIBVCTAVRBQI-QFIPXVFZSA-N 2 2 447.584 -0.096 20 0 IBADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)CC1 ZINC001468356635 1074564408 /nfs/dbraw/zinc/56/44/08/1074564408.db2.gz VGYAKSPPFXAAEW-UHFFFAOYSA-N 2 2 431.603 -0.150 20 0 IBADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)CC1 ZINC001468356635 1074564401 /nfs/dbraw/zinc/56/44/01/1074564401.db2.gz VGYAKSPPFXAAEW-UHFFFAOYSA-N 2 2 431.603 -0.150 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001468743210 1074568057 /nfs/dbraw/zinc/56/80/57/1074568057.db2.gz FCNZMFRPLCLJMT-GHTZIAJQSA-N 2 2 425.574 -0.692 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001468743210 1074568054 /nfs/dbraw/zinc/56/80/54/1074568054.db2.gz FCNZMFRPLCLJMT-GHTZIAJQSA-N 2 2 425.574 -0.692 20 0 IBADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001468743210 1074568049 /nfs/dbraw/zinc/56/80/49/1074568049.db2.gz FCNZMFRPLCLJMT-GHTZIAJQSA-N 2 2 425.574 -0.692 20 0 IBADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001468743210 1074568043 /nfs/dbraw/zinc/56/80/43/1074568043.db2.gz FCNZMFRPLCLJMT-GHTZIAJQSA-N 2 2 425.574 -0.692 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001468743211 1074567926 /nfs/dbraw/zinc/56/79/26/1074567926.db2.gz FCNZMFRPLCLJMT-NQIIRXRSSA-N 2 2 425.574 -0.692 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001468743211 1074567921 /nfs/dbraw/zinc/56/79/21/1074567921.db2.gz FCNZMFRPLCLJMT-NQIIRXRSSA-N 2 2 425.574 -0.692 20 0 IBADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001468743211 1074567916 /nfs/dbraw/zinc/56/79/16/1074567916.db2.gz FCNZMFRPLCLJMT-NQIIRXRSSA-N 2 2 425.574 -0.692 20 0 IBADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001468743211 1074567911 /nfs/dbraw/zinc/56/79/11/1074567911.db2.gz FCNZMFRPLCLJMT-NQIIRXRSSA-N 2 2 425.574 -0.692 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001468743212 1074568093 /nfs/dbraw/zinc/56/80/93/1074568093.db2.gz FCNZMFRPLCLJMT-RXVVDRJESA-N 2 2 425.574 -0.692 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001468743212 1074568089 /nfs/dbraw/zinc/56/80/89/1074568089.db2.gz FCNZMFRPLCLJMT-RXVVDRJESA-N 2 2 425.574 -0.692 20 0 IBADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001468743212 1074568083 /nfs/dbraw/zinc/56/80/83/1074568083.db2.gz FCNZMFRPLCLJMT-RXVVDRJESA-N 2 2 425.574 -0.692 20 0 IBADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001468743212 1074568080 /nfs/dbraw/zinc/56/80/80/1074568080.db2.gz FCNZMFRPLCLJMT-RXVVDRJESA-N 2 2 425.574 -0.692 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001468743213 1074567840 /nfs/dbraw/zinc/56/78/40/1074567840.db2.gz FCNZMFRPLCLJMT-WIYYLYMNSA-N 2 2 425.574 -0.692 20 0 IBADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001468743213 1074567836 /nfs/dbraw/zinc/56/78/36/1074567836.db2.gz FCNZMFRPLCLJMT-WIYYLYMNSA-N 2 2 425.574 -0.692 20 0 IBADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001468743213 1074567828 /nfs/dbraw/zinc/56/78/28/1074567828.db2.gz FCNZMFRPLCLJMT-WIYYLYMNSA-N 2 2 425.574 -0.692 20 0 IBADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001468743213 1074567822 /nfs/dbraw/zinc/56/78/22/1074567822.db2.gz FCNZMFRPLCLJMT-WIYYLYMNSA-N 2 2 425.574 -0.692 20 0 IBADLP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001471568742 1074597284 /nfs/dbraw/zinc/59/72/84/1074597284.db2.gz NKTMMFDSGSWRMM-GOSISDBHSA-N 2 2 435.569 -0.501 20 0 IBADLP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001471568744 1074597362 /nfs/dbraw/zinc/59/73/62/1074597362.db2.gz NKTMMFDSGSWRMM-SFHVURJKSA-N 2 2 435.569 -0.501 20 0 IBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477661621 1074646031 /nfs/dbraw/zinc/64/60/31/1074646031.db2.gz XKMPFWKBPZCZDD-KRWDZBQOSA-N 2 2 431.541 -0.118 20 0 IBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001477661622 1074646107 /nfs/dbraw/zinc/64/61/07/1074646107.db2.gz XKMPFWKBPZCZDD-QGZVFWFLSA-N 2 2 431.541 -0.118 20 0 IBADLP Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC2)cn1 ZINC001477982243 1074649896 /nfs/dbraw/zinc/64/98/96/1074649896.db2.gz FLFRJAUCWMOWAR-UHFFFAOYSA-N 2 2 429.591 -0.244 20 0 IBADLP Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC2)cn1 ZINC001477982243 1074649892 /nfs/dbraw/zinc/64/98/92/1074649892.db2.gz FLFRJAUCWMOWAR-UHFFFAOYSA-N 2 2 429.591 -0.244 20 0 IBADLP CCOC1CC(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)([NH+]2CCOCC2)C1 ZINC001478558056 1074651936 /nfs/dbraw/zinc/65/19/36/1074651936.db2.gz FZLYRJLASUOBIN-QUWFBVPJSA-N 2 2 426.558 -0.219 20 0 IBADLP CCOC1CC(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)([NH+]2CCOCC2)C1 ZINC001478558056 1074651930 /nfs/dbraw/zinc/65/19/30/1074651930.db2.gz FZLYRJLASUOBIN-QUWFBVPJSA-N 2 2 426.558 -0.219 20 0 IBADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001478971237 1074657296 /nfs/dbraw/zinc/65/72/96/1074657296.db2.gz UBTABGOLBHRFIM-GOSISDBHSA-N 2 2 430.619 -0.074 20 0 IBADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001478971242 1074657339 /nfs/dbraw/zinc/65/73/39/1074657339.db2.gz UBTABGOLBHRFIM-SFHVURJKSA-N 2 2 430.619 -0.074 20 0 IBADLP Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001492709763 1074406985 /nfs/dbraw/zinc/40/69/85/1074406985.db2.gz TXSOTONCKXFCHK-GDBMZVCRSA-N 2 2 438.558 -0.386 20 0 IBADLP Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001492709763 1074406982 /nfs/dbraw/zinc/40/69/82/1074406982.db2.gz TXSOTONCKXFCHK-GDBMZVCRSA-N 2 2 438.558 -0.386 20 0 IBADLP Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001492709764 1074407026 /nfs/dbraw/zinc/40/70/26/1074407026.db2.gz TXSOTONCKXFCHK-GOEBONIOSA-N 2 2 438.558 -0.386 20 0 IBADLP Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001492709764 1074407023 /nfs/dbraw/zinc/40/70/23/1074407023.db2.gz TXSOTONCKXFCHK-GOEBONIOSA-N 2 2 438.558 -0.386 20 0 IBADLP Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001492709765 1074406940 /nfs/dbraw/zinc/40/69/40/1074406940.db2.gz TXSOTONCKXFCHK-HOCLYGCPSA-N 2 2 438.558 -0.386 20 0 IBADLP Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001492709765 1074406934 /nfs/dbraw/zinc/40/69/34/1074406934.db2.gz TXSOTONCKXFCHK-HOCLYGCPSA-N 2 2 438.558 -0.386 20 0 IBADLP Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001492709766 1074407008 /nfs/dbraw/zinc/40/70/08/1074407008.db2.gz TXSOTONCKXFCHK-ZBFHGGJFSA-N 2 2 438.558 -0.386 20 0 IBADLP Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001492709766 1074407006 /nfs/dbraw/zinc/40/70/06/1074407006.db2.gz TXSOTONCKXFCHK-ZBFHGGJFSA-N 2 2 438.558 -0.386 20 0 IBADLP CCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499125799 1074673886 /nfs/dbraw/zinc/67/38/86/1074673886.db2.gz DVPPYEYKWHKAKX-IBGZPJMESA-N 2 2 446.600 -0.253 20 0 IBADLP CCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499125799 1074673880 /nfs/dbraw/zinc/67/38/80/1074673880.db2.gz DVPPYEYKWHKAKX-IBGZPJMESA-N 2 2 446.600 -0.253 20 0 IBADLP CCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499125800 1074673982 /nfs/dbraw/zinc/67/39/82/1074673982.db2.gz DVPPYEYKWHKAKX-LJQANCHMSA-N 2 2 446.600 -0.253 20 0 IBADLP CCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499125800 1074673974 /nfs/dbraw/zinc/67/39/74/1074673974.db2.gz DVPPYEYKWHKAKX-LJQANCHMSA-N 2 2 446.600 -0.253 20 0 IBADLP CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503680674 1074714256 /nfs/dbraw/zinc/71/42/56/1074714256.db2.gz YMTXQXVTYRVQDL-NRFANRHFSA-N 2 2 444.540 -0.240 20 0 IBADLP CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503680674 1074714248 /nfs/dbraw/zinc/71/42/48/1074714248.db2.gz YMTXQXVTYRVQDL-NRFANRHFSA-N 2 2 444.540 -0.240 20 0 IBADLP CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503680675 1074714183 /nfs/dbraw/zinc/71/41/83/1074714183.db2.gz YMTXQXVTYRVQDL-OAQYLSRUSA-N 2 2 444.540 -0.240 20 0 IBADLP CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503680675 1074714174 /nfs/dbraw/zinc/71/41/74/1074714174.db2.gz YMTXQXVTYRVQDL-OAQYLSRUSA-N 2 2 444.540 -0.240 20 0 IBADLP